#DEFINITION	Reference Metabolome for Perilla frutescens
#IDENTTFIER	RefMeta-Perilla frutescens.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Perilla frutescens
#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 Perilla frutescens 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	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	12.4
71.61607	1.0
72.99311	1.7
73.02964	1.0
78.95921	0.7
83.01376	0.9
83.05049	0.9
85.02948	2.5
87.00871	2.7
89.02452	8.0
95.01402	1.0
96.95981	1.0
97.02929	3.7
100.16776	0.7
101.02451	8.4
109.06461	0.9
111.08158	8.7
113.02460	5.1
119.03490	2.1
125.02453	3.6
137.09682	1.0
143.03532	1.6
152.48721	0.8
161.02438	1.7
161.04552	2.8
163.11256	0.8
165.12788	3.0
169.12352	4.6
171.10252	2.4
179.05608	2.1
181.12314	1.8
183.13745	0.8
193.04794	0.9
197.11823	38.1
198.12190	1.5
198.90442	0.9
199.13399	2.5
209.11844	1.0
211.13385	6.1
221.06657	1.4
227.12846	1.5
235.08220	3.2
247.20639	1.2
263.20178	1.3
265.18027	1.8
265.36957	0.8
273.18527	1.4
291.19647	28.7
292.19922	2.3
293.21182	1.9
305.08578	1.1
307.19263	1.0
309.20721	100.0
310.20972	5.6
333.20673	1.0
344.89157	1.0
379.12219	1.6
397.13516	22.3
398.13959	2.1
415.14584	13.7
601.41089	1.9
689.33624	1.7
707.34686	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	999.6417
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26278	0.2
70.26662	0.2
70.31796	0.1
85.59799	0.1
93.35108	0.1
96.96002	0.1
97.05587	0.1
119.94595	0.1
253.09351	0.1
277.21606	0.8
363.26974	0.2
377.28503	0.1
379.30051	0.2
391.30255	0.1
409.31079	0.7
410.31653	0.1
437.30551	2.0
438.30853	0.2
455.31644	37.0
455.97977	0.1
456.31992	4.0
485.32697	100.0
486.33041	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	998.569
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37544	100.0
74.53211	28.4
95.88018	32.1
101.73691	28.3
112.47089	28.1
162.76610	34.4
177.55225	26.7
652.47021	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	999.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45370	4.6
71.01385	9.8
73.02951	1.3
78.95882	0.7
79.15382	0.5
83.01372	0.8
85.02482	0.6
85.02962	2.3
87.00861	2.6
89.02450	7.5
95.01391	0.6
96.78493	0.5
96.96011	2.0
97.02936	3.4
99.00876	0.6
101.02443	7.6
111.08159	7.4
113.02456	4.6
119.03500	2.5
123.71376	0.5
125.02455	3.4
125.09781	0.9
127.07605	0.6
135.04564	0.8
137.09694	0.9
143.03493	0.9
153.12863	0.9
161.02458	0.7
161.04535	2.0
161.97157	0.6
163.11287	0.6
165.12816	0.8
169.12338	4.3
171.10294	1.8
179.05655	2.7
179.10866	0.6
181.12315	1.6
183.13817	0.9
186.73869	0.6
197.11823	41.1
198.12245	2.2
199.13403	2.9
209.11804	1.1
211.13423	6.4
217.07236	0.7
227.12924	1.7
234.47290	0.6
235.08264	2.4
247.20660	1.4
256.67157	0.8
263.20212	2.5
265.18195	1.0
273.18561	1.5
287.07877	1.1
291.19678	21.8
292.20068	2.0
293.21164	0.8
305.08829	1.1
309.20715	100.0
310.21048	6.4
349.52435	0.7
351.21646	0.8
379.12228	1.0
397.13510	24.2
398.13885	0.9
415.14569	14.4
567.67694	0.6
595.26147	0.7
601.41034	1.6
652.40594	0.6
689.34003	2.3
707.35052	4.3
976.22162	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	993.6423
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37007	1.8
69.37432	3.0
83.05023	5.0
93.73001	0.6
94.68443	0.5
98.19807	1.2
109.06577	0.6
135.04488	0.7
145.75125	0.6
161.02385	1.0
285.67972	0.6
325.25336	0.7
339.26944	1.5
355.26111	0.8
401.27017	1.5
405.31680	1.3
413.30765	1.5
441.33823	0.8
467.31625	7.4
468.32236	1.0
485.32715	64.3
486.33105	8.9
487.33688	0.7
993.64331	100.0
994.64838	26.8
994.86005	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	998.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31153	1.1
72.99322	0.5
73.02949	0.3
81.95615	0.3
84.82950	0.3
94.06609	0.5
103.83232	0.3
106.06625	4.8
106.83168	0.3
108.04581	0.7
109.02948	0.6
122.06125	3.6
122.32693	0.3
123.04585	0.4
132.04576	0.5
133.02969	2.6
134.06122	24.8
135.04543	2.7
135.06458	0.5
137.02455	0.7
145.02910	0.5
151.03958	1.2
152.07185	4.0
160.04012	1.0
161.02449	9.3
162.85234	0.3
170.07913	0.3
173.04759	0.4
174.05562	0.8
174.24562	0.3
179.03474	1.5
194.08195	1.8
195.03020	0.9
197.07260	0.4
209.07198	0.4
210.07646	0.5
210.09410	0.6
210.11168	0.4
211.08711	0.5
213.10323	1.1
222.07851	0.7
223.08746	1.3
224.09604	0.4
225.06645	1.1
225.10338	1.3
234.07930	0.5
235.08754	1.0
236.09416	0.5
237.06604	1.4
237.10298	2.6
238.07423	1.4
238.11070	0.6
239.08122	1.8
239.11766	0.5
241.09726	1.0
247.08737	0.6
249.06718	0.6
249.10281	1.5
250.07474	1.0
250.10931	0.3
251.04521	0.6
251.08229	3.5
251.11763	0.5
252.05396	0.4
252.08980	1.1
253.06180	0.9
253.09818	4.1
254.10730	0.6
263.08179	1.8
264.08923	1.1
265.06201	4.3
265.09680	3.0
266.04306	0.6
266.06952	6.5
266.09930	0.6
267.07666	3.2
267.11346	1.4
271.40613	0.3
275.08243	0.7
277.06168	1.2
277.09760	1.2
278.07001	4.5
279.07730	4.0
279.11346	1.0
280.08533	3.1
281.09308	42.2
282.09796	3.8
283.10809	1.7
284.07907	1.2
291.07797	1.1
292.08527	1.5
293.09323	27.7
294.09894	4.4
295.10815	1.5
305.09378	0.9
307.07422	0.4
307.10876	6.4
308.11179	0.5
309.08630	0.4
311.05740	0.5
311.10474	0.4
312.10977	0.4
313.11954	2.9
325.08505	0.5
325.12036	1.7
326.12723	0.6
336.11108	0.6
337.11905	0.6
339.13474	1.1
344.14008	0.5
346.15710	0.4
354.12131	0.4
356.13879	0.4
357.11136	0.4
358.11758	0.5
358.15698	0.4
360.17136	0.5
370.11868	0.7
371.13214	0.5
372.13367	0.8
372.17474	0.4
382.11603	1.8
384.13300	0.6
384.17499	0.8
385.14539	0.6
386.15170	0.7
388.16653	1.0
389.08667	4.4
400.13013	0.7
400.16949	4.5
401.17001	0.7
402.18030	0.4
405.13266	0.6
412.12878	0.7
413.13641	1.2
414.14542	1.0
428.16141	7.8
429.16534	1.3
430.17792	1.0
432.19647	0.7
446.17084	1.1
454.14191	0.8
460.19012	3.6
461.19305	0.7
473.15594	0.8
488.18283	36.2
489.18646	4.8
492.17603	1.7
493.18643	0.5
504.17780	1.0
520.20868	10.1
521.21674	2.3
522.18811	1.3
532.17255	31.6
533.17767	8.6
534.18903	4.2
564.19855	100.0
565.20337	20.8
566.21326	3.8
567.21240	0.5
769.24695	0.6
801.28412	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	991.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	6.9
72.99303	0.9
73.02939	0.8
83.01385	0.5
85.02956	1.8
86.00114	0.5
89.02442	5.2
93.03416	0.6
95.01395	0.4
96.71925	0.4
99.00867	0.4
101.02442	5.9
109.02988	0.6
113.02445	3.7
117.03461	14.5
118.03802	0.6
119.03553	2.6
119.05022	6.5
121.03017	0.6
133.02962	0.7
133.06572	0.9
135.04550	2.2
145.02950	49.7
146.03305	1.7
149.04532	0.5
161.02448	2.2
161.04788	0.5
161.06064	2.7
163.04013	7.1
163.11285	2.8
177.05594	1.4
179.03506	1.4
197.04440	0.6
205.04984	2.5
207.10255	7.9
261.15863	0.5
265.07254	0.9
326.29999	0.5
353.43921	0.4
369.08371	0.5
369.15283	0.6
371.20834	0.6
387.16580	53.6
388.16876	3.8
413.21832	4.9
414.22479	0.7
416.96048	0.5
533.20276	100.0
534.20648	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	993.397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	100.0
71.62517	2.0
72.99313	9.1
73.02950	30.8
75.00874	3.6
83.01379	14.6
84.34737	1.7
85.02952	33.8
87.00879	7.1
89.02441	76.8
95.01379	8.4
99.00861	4.6
101.02447	76.4
108.02169	1.7
109.02966	7.3
113.02448	49.4
117.67120	1.9
119.03505	34.6
123.04492	2.9
125.02496	3.0
131.03488	7.2
135.04494	3.4
136.01639	5.1
143.03508	11.0
146.03696	2.0
149.04512	10.6
151.03999	4.5
159.03050	2.4
159.04424	3.6
161.02444	4.7
161.04561	26.8
179.03447	2.8
179.05611	48.0
181.05061	2.2
188.04799	3.7
193.05032	2.0
217.30536	1.8
221.06508	4.2
237.05513	3.9
238.27650	1.9
249.05473	3.7
250.06358	3.4
252.07883	3.1
254.21866	1.9
261.05740	2.0
264.07819	6.3
265.05130	5.6
265.08569	2.9
267.06503	2.2
269.04730	1.7
269.07895	2.5
280.07468	9.6
292.07388	2.9
295.09866	10.9
310.08295	2.3
325.10861	5.1
351.70801	1.9
355.11841	43.0
356.12686	2.3
357.06039	5.7
371.20691	30.6
372.20929	3.2
373.12772	3.1
413.21783	81.2
414.22073	8.4
496.58789	1.9
535.18323	13.8
662.56372	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	989.622
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09970	0.8
71.01379	0.7
73.02970	0.3
75.00861	0.2
82.06139	0.2
88.98811	0.3
89.02444	0.4
96.95953	0.3
97.06604	0.9
101.02468	0.3
104.03545	0.7
104.74345	0.2
113.02472	0.2
133.02995	0.2
135.04492	0.3
141.31641	0.2
145.61279	0.1
153.09094	0.2
161.02446	0.4
162.13269	0.2
188.06850	0.2
235.08333	0.2
249.18600	10.4
250.18925	0.6
253.09311	1.5
254.09673	0.2
374.25949	0.3
381.28110	0.4
387.30560	0.9
389.28555	2.1
391.30139	0.2
405.32019	0.9
406.28745	4.0
407.29462	0.9
421.31332	2.3
423.32736	6.7
424.32962	0.6
425.30161	0.2
437.30850	0.3
439.28259	0.7
439.32999	0.3
441.33926	0.2
455.31528	0.6
457.33319	0.4
459.34720	0.4
467.31641	2.3
469.33218	100.0
470.33539	12.5
485.32745	13.8
486.33136	1.6
503.33859	7.7
504.34207	0.8
513.32178	4.9
513.39899	0.2
514.32574	0.5
529.31592	0.6
646.08533	0.2
912.22552	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	990.6806
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04995	1.2
71.63112	0.9
78.95894	4.9
92.34691	0.7
97.06269	0.6
120.19966	0.6
135.69278	0.6
145.02954	0.8
152.99593	1.0
192.37248	0.6
209.11732	0.8
224.06982	2.2
242.07762	0.7
279.23276	20.7
280.23752	1.3
407.32990	0.8
411.32831	1.0
427.36227	0.8
441.33759	0.8
451.32150	0.9
453.33743	12.3
454.33862	1.6
471.34784	100.0
472.35098	9.3
504.30960	37.8
505.31219	4.5
615.64850	0.7
633.38324	1.1
939.63440	0.8
990.68231	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	989.345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97484	1.0
69.97874	1.0
71.01382	4.6
72.99306	30.7
84.75183	0.4
85.02939	1.0
89.02446	3.9
93.03477	1.0
97.06586	3.2
101.02437	4.2
113.02442	1.7
117.03463	12.3
119.03487	1.6
119.05023	6.0
119.86530	0.5
121.02953	2.7
123.04506	2.3
132.02213	0.8
133.02950	11.8
133.06590	0.9
134.03798	1.0
135.04523	3.1
137.02478	2.4
145.02957	42.8
146.03351	1.4
149.06149	0.5
150.03220	0.9
151.03944	0.8
159.04529	1.4
159.08205	0.7
161.02444	37.3
161.06076	2.0
162.02797	1.9
163.04033	6.5
163.07600	1.1
163.11284	3.2
165.09190	0.9
171.50952	0.5
172.05353	0.8
173.06081	1.4
175.03946	0.7
175.07600	1.4
176.04756	1.2
177.05600	0.6
178.02802	2.3
179.03435	1.4
187.07643	11.5
188.07901	0.8
190.06395	2.9
192.73804	0.5
201.05371	0.5
201.09207	1.7
202.06421	2.6
203.10796	1.2
205.05011	1.4
205.08723	2.1
207.10237	7.8
208.10455	0.6
213.09251	2.7
215.07068	1.0
219.10242	8.6
229.08632	0.5
231.10294	6.5
232.10588	0.8
235.06012	0.7
247.09753	0.7
257.08127	0.7
265.07169	1.3
275.09241	4.2
293.10303	37.1
294.10638	2.5
312.20227	0.5
319.08426	1.0
374.36838	0.5
387.16599	44.4
388.16983	3.0
455.13486	32.7
456.13943	3.2
533.20264	100.0
534.20630	12.0
712.24799	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	985.6617
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01355	0.1
75.56087	0.1
88.58968	0.1
89.02375	0.1
101.02452	0.1
110.31666	0.1
118.05143	0.1
138.50290	0.1
205.16069	0.1
205.95674	0.1
235.08281	0.1
253.09355	0.4
277.21722	2.6
278.22223	0.2
373.25125	0.1
377.28326	0.1
391.29944	0.2
393.31558	0.1
407.33270	0.9
408.33774	0.1
423.32849	0.3
425.34348	0.3
439.31937	0.1
469.33038	0.1
471.34766	100.0
472.35110	11.6
472.85785	0.1
513.30786	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	985.6608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01195	0.1
71.46652	0.2
74.64628	0.1
129.25647	0.1
129.49602	0.2
133.02928	0.2
139.91885	0.1
147.34601	0.1
151.22827	0.1
161.02461	0.3
253.09366	0.2
277.21686	1.4
373.50070	0.2
410.68845	0.2
434.61243	0.1
469.33279	3.0
470.33572	4.9
471.34756	100.0
472.35104	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	985.6402
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.3
71.05020	0.2
71.63010	0.1
73.02937	0.5
79.38332	0.1
96.96021	0.3
123.04486	0.1
133.42990	0.2
150.74683	0.1
161.02438	0.4
179.03429	0.2
194.01279	0.2
220.36665	0.2
309.20645	0.2
355.26355	0.3
359.24008	0.2
363.26999	1.5
375.26782	0.2
377.28412	0.8
379.30069	2.0
389.28555	0.3
391.30066	1.2
392.30801	0.2
393.27942	0.5
397.30984	0.2
407.29590	1.1
409.31116	10.8
410.31400	1.0
411.28897	0.6
412.51468	0.2
423.29001	1.0
425.30441	1.0
427.32153	2.3
428.32562	0.3
429.95120	0.2
437.30551	0.2
441.30075	0.4
453.30066	9.1
454.30298	0.9
455.31699	1.1
456.31647	0.2
471.31189	4.6
471.37961	0.2
472.31519	0.4
483.31198	3.4
484.31613	0.3
501.32199	100.0
502.32541	12.5
548.97559	0.2
950.06628	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	985.5745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	1.9
71.01388	10.2
71.05013	0.8
71.54714	1.0
72.99309	1.1
73.02942	1.6
81.03448	0.6
83.01375	1.3
83.04984	0.6
84.02193	0.6
85.02955	8.7
87.00869	1.4
89.02444	8.7
91.54092	0.4
95.01407	0.8
97.02961	2.6
97.06582	2.7
99.00881	0.7
101.02445	9.7
109.02937	0.5
113.02451	5.3
116.92834	0.5
119.03493	2.1
125.02450	2.7
125.09669	0.7
127.11339	0.6
131.03502	0.6
134.01704	0.5
137.09702	1.5
143.03506	1.3
161.04567	1.8
165.12822	0.5
171.10265	18.5
172.10648	0.7
179.05588	3.6
183.13913	6.9
184.33456	0.4
185.11783	0.8
193.12402	0.7
195.13879	1.3
197.11778	0.9
201.11310	0.8
209.11830	0.8
211.13412	8.8
212.13728	0.6
221.06659	2.1
221.11816	1.4
223.13184	0.5
223.17039	0.7
229.14430	4.8
235.08200	3.4
239.12891	1.5
251.16473	1.9
275.20099	0.8
277.21729	19.8
278.22018	1.8
287.07712	0.8
291.19742	4.8
293.21185	6.9
295.22729	2.0
305.08694	1.1
309.20737	13.4
309.24139	1.1
310.20932	0.9
311.22375	5.4
327.21756	100.0
328.22092	6.7
379.12335	0.8
397.13501	24.8
398.13849	1.2
415.14597	16.9
416.15082	1.0
469.33163	2.1
587.43079	2.2
589.08057	0.5
675.36053	0.9
707.35382	4.4
708.34601	0.6
725.35883	3.6
726.36292	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	985.5743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.9
71.01385	12.6
71.05039	0.6
72.99314	1.3
73.02943	1.9
83.01370	1.5
84.02168	0.8
85.02959	8.0
87.00893	2.5
89.02441	9.0
93.15404	0.5
95.01367	1.2
96.96012	0.7
97.02951	2.7
97.06567	3.2
99.00911	0.6
99.04513	0.9
101.02444	9.5
111.04501	0.7
113.02443	5.2
116.92845	0.8
119.03520	3.0
125.02442	4.2
137.09647	0.6
143.03510	2.1
161.02490	0.7
161.04510	3.5
167.14429	0.8
167.58928	0.5
171.10260	7.6
179.05667	3.9
183.13892	12.9
193.12300	0.8
195.13924	1.5
197.11816	1.7
197.31709	0.5
199.06624	0.5
209.11816	1.0
211.13374	12.0
221.06590	1.5
221.11720	1.5
223.17024	0.9
229.14471	5.8
233.15425	0.5
235.08205	3.7
239.12842	0.7
251.16498	1.6
253.09215	0.8
263.07764	0.7
269.17709	0.8
273.18484	0.7
276.92105	0.6
277.21722	25.1
278.22064	1.5
280.01901	0.6
287.07617	0.9
291.19662	5.5
293.21237	5.3
294.21466	0.7
295.22803	4.3
305.08859	1.4
309.20706	12.5
310.21182	1.0
311.22253	6.6
312.17075	0.7
312.22672	0.7
327.21753	100.0
328.22113	7.4
379.12592	0.8
397.13516	36.8
398.13937	1.8
415.14594	19.4
415.20078	0.8
416.15134	1.5
587.43298	3.1
675.35785	1.7
707.34875	4.6
725.35730	2.7
879.25964	0.6
939.99121	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	984.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	1.3
71.01389	6.8
71.39708	1.0
72.99305	2.8
73.02946	2.5
83.01376	1.3
85.02966	3.5
85.27721	0.7
89.02457	0.9
93.03469	1.4
99.00896	1.2
101.02444	3.8
109.02945	2.1
113.02445	3.4
117.03471	8.3
119.05032	49.9
120.05370	2.4
125.02412	0.9
133.02968	4.9
134.03693	0.7
135.04550	6.5
135.05505	1.0
136.04828	0.9
137.02478	1.6
143.05032	15.9
145.02951	22.6
147.04524	1.0
149.02531	0.8
150.03242	1.2
152.01164	0.8
159.03008	0.9
159.04546	1.4
161.02467	12.2
161.04579	3.3
161.05928	0.8
162.02771	1.6
163.04012	100.0
164.04395	3.7
179.03479	2.3
187.04010	21.6
188.04408	1.1
197.04544	1.2
209.15471	1.7
232.61066	0.7
306.63794	0.8
311.05676	1.3
313.07187	1.4
327.18130	1.1
353.19778	3.2
359.07675	1.5
362.08820	1.7
371.20700	4.0
413.21906	6.4
414.21973	0.8
422.12476	1.3
468.13083	0.8
482.14563	21.7
483.14960	2.8
608.05487	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	983.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	2.0
71.01384	21.2
72.99315	2.4
73.02930	2.0
75.00897	0.5
78.95885	0.7
81.03452	1.0
83.01392	1.9
83.05018	1.1
85.02943	3.6
87.00883	4.7
88.55262	0.5
89.02443	13.5
95.01376	1.4
95.05024	1.4
97.02959	2.4
99.00871	1.2
101.02450	12.9
103.19074	0.5
109.02954	0.5
109.06552	0.8
111.08159	7.6
113.02441	7.2
113.09669	0.7
114.95482	0.6
115.04037	0.5
119.03507	4.6
124.01653	0.6
125.02452	4.2
128.60486	0.5
131.03474	1.0
137.09689	0.7
143.03517	2.9
149.04628	0.5
149.10861	0.5
161.04547	3.6
162.04984	0.4
167.10765	2.3
171.10219	0.5
177.12839	1.7
179.05609	4.6
179.10770	1.9
179.14369	1.0
181.12279	0.6
195.13910	14.0
205.12309	0.8
209.11929	0.6
211.13243	0.7
221.06665	1.9
221.11665	0.5
223.13390	6.7
224.13733	0.6
225.15031	0.8
228.13567	0.5
235.08200	4.7
247.20619	1.8
253.09297	0.8
256.13168	1.5
263.07761	0.8
273.18674	1.0
275.20111	5.5
277.21719	1.9
287.07770	0.7
289.18274	0.5
291.19656	88.0
292.20041	5.5
293.21219	100.0
294.21613	6.0
305.08630	1.3
307.19116	0.6
309.20737	1.0
323.09854	1.0
325.20209	2.1
379.12515	1.4
397.13470	25.7
398.13803	1.4
415.14590	16.0
416.14996	0.9
621.12299	0.8
648.32544	0.5
689.33508	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	983.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	3.6
71.63358	0.3
72.99305	0.5
73.02946	3.8
83.01389	1.9
83.08823	0.2
85.02940	0.7
86.81146	0.2
97.02940	0.2
101.02444	8.9
109.02926	0.7
113.02428	1.7
119.90907	0.2
125.02424	0.9
131.03467	0.8
133.02940	0.9
135.04449	1.0
143.03506	1.1
145.03001	0.3
153.61317	0.2
155.03523	0.5
159.04485	0.2
161.02452	2.6
161.04547	1.7
179.03464	0.6
197.04591	0.4
203.05583	3.1
221.06566	0.3
253.05013	0.5
254.05705	0.2
255.06612	0.3
267.06512	0.4
281.04544	0.7
283.06125	0.5
311.05542	0.6
313.07327	0.5
359.07584	0.7
421.30902	0.3
435.32608	1.0
465.33774	0.2
487.34262	100.0
488.34576	14.9
501.35944	1.4
529.35309	4.8
530.35577	0.8
559.36176	0.4
571.36316	0.3
573.34406	0.7
589.37048	0.3
641.12500	0.3
647.41357	0.4
691.40948	0.5
733.41870	0.6
775.42804	0.4
793.44061	0.9
895.46967	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	983.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62856	0.5
72.99310	11.1
77.03965	0.4
89.03982	0.7
93.03486	0.9
95.01374	0.4
96.96086	0.4
105.03446	0.8
108.02171	0.6
109.02953	7.8
117.03467	3.1
119.05019	0.6
121.02953	2.1
122.01632	0.5
122.03770	0.5
123.04530	5.3
132.02174	2.2
133.02956	24.9
134.03793	2.0
135.04527	30.5
136.04848	1.1
137.02422	0.8
139.04056	0.6
145.02960	2.0
146.03699	0.3
147.00819	0.5
147.04518	0.7
148.01646	0.4
149.02444	8.5
149.03595	0.7
150.03236	8.9
151.04034	2.2
161.02441	100.0
162.02769	3.4
173.02429	2.3
174.03200	2.9
175.03894	0.7
177.01913	0.7
178.02731	1.1
179.03490	19.3
180.03793	0.9
197.04547	19.2
197.06372	0.9
198.04999	0.4
199.07629	0.6
201.01949	1.0
202.02626	0.5
205.01424	0.6
209.06000	1.0
211.07697	0.6
221.06075	0.6
224.04712	0.6
227.07187	0.8
237.05511	1.8
238.06329	0.6
239.07117	1.7
240.04044	0.4
249.05560	1.1
250.06332	1.4
253.05171	0.9
254.05783	1.6
255.06737	1.9
265.05035	1.6
266.05841	1.2
267.06631	14.2
268.07199	1.5
270.08884	0.7
271.09741	0.7
276.00476	0.4
281.04407	0.5
282.05362	0.5
283.06107	8.4
283.13889	0.5
284.06638	0.7
285.07611	0.9
309.04025	0.9
309.25845	0.4
310.04758	3.7
311.05615	37.3
312.06024	2.7
313.07147	1.8
329.06644	7.7
330.07040	0.7
341.06616	1.2
347.07642	0.6
356.98715	0.4
357.06064	0.9
359.07712	23.7
360.08026	2.2
446.10242	0.9
447.10791	1.2
473.08728	0.5
489.08426	0.4
491.09821	12.1
492.10159	1.3
507.09271	0.6
508.09991	0.6
509.10867	29.6
510.11111	2.9
521.11035	4.4
522.11011	0.5
605.04327	0.5
623.11670	0.8
641.12573	1.0
653.13104	1.3
671.14050	27.3
672.14319	4.5
691.39331	1.0
803.16492	1.6
821.18726	0.5
996.95361	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	983.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59267	1.9
71.01384	0.5
72.99332	1.3
77.20822	0.2
85.02959	1.0
89.56366	0.3
93.03468	0.5
95.01374	0.3
95.04969	0.3
98.19840	0.3
99.00898	0.3
100.40508	0.2
102.90919	0.3
103.37363	0.3
108.02165	0.8
109.02950	11.8
113.02438	1.5
117.03467	1.0
119.05044	0.6
121.02968	1.8
123.04530	1.6
129.03453	1.1
131.05043	0.6
133.02971	2.8
134.03735	0.6
135.04521	5.2
137.02444	1.0
138.11490	0.3
145.02959	4.7
146.03731	1.3
146.94653	0.3
147.04521	8.8
148.04868	0.4
150.64005	0.3
151.03996	0.4
153.05565	0.5
157.02942	3.8
158.03673	0.8
159.04524	8.1
160.04909	0.6
160.98006	0.3
161.02437	10.3
162.02786	0.3
163.03992	0.7
167.82358	0.3
173.02452	2.2
174.03195	0.6
175.02475	1.1
175.04004	2.6
179.03474	2.2
185.02441	3.2
186.02995	0.4
187.03990	0.5
191.03502	0.4
193.06535	0.5
195.08235	0.4
196.05348	0.5
197.04547	1.5
197.05997	0.5
199.03943	0.4
201.01912	1.0
203.03528	1.6
209.06062	0.6
211.07617	1.3
220.05281	0.3
221.06108	1.7
222.06828	0.5
223.07646	0.4
224.04678	0.5
225.05553	1.0
229.01404	24.6
230.01884	1.5
232.05350	0.3
233.06001	0.5
237.05482	0.6
238.06329	0.9
239.07124	2.4
240.04210	0.3
248.04820	1.1
249.05563	4.3
250.06346	2.5
251.07111	1.0
252.04283	0.4
253.05064	1.2
260.04611	0.3
265.05020	1.0
266.05835	2.1
267.06607	13.6
268.06937	0.9
269.04581	6.9
269.08163	5.5
270.04880	2.0
270.07724	0.4
276.04211	0.9
277.05051	8.3
278.05713	2.2
280.03723	0.6
292.03699	0.3
293.04562	4.3
294.05292	2.2
295.06094	17.6
296.06525	1.3
311.05600	0.5
313.07178	5.5
339.05075	100.0
340.05377	7.7
357.06137	1.9
383.07724	0.7
445.07715	2.3
446.08081	0.7
447.08182	0.4
493.11615	1.3
537.10394	4.6
537.18829	0.5
538.10840	0.6
709.11829	0.3
763.68536	0.3
1000.33673	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	982.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	1.5
72.99312	9.0
87.25422	1.1
93.03475	1.8
95.05024	1.6
106.06627	2.9
108.02166	1.9
109.02959	7.2
118.14795	1.1
121.02953	2.3
121.05366	1.7
122.06140	2.7
123.04506	8.4
132.02142	1.6
132.24773	1.0
133.02956	38.7
134.03799	6.4
134.05177	2.3
134.06128	30.6
135.04526	74.0
136.04851	1.4
137.02423	4.9
147.52901	1.3
149.02432	3.9
150.03189	1.7
151.03983	16.2
152.07150	4.0
159.04497	2.3
161.02444	100.0
161.06033	3.2
162.02776	4.3
174.05586	2.1
177.01897	10.7
178.02664	7.7
179.03496	80.1
180.03809	2.1
190.05060	1.5
194.08171	2.1
197.04552	6.7
213.10397	2.1
225.06577	1.3
237.10300	4.7
239.11923	1.3
246.07730	2.2
249.10278	1.8
251.08334	2.9
253.09778	3.5
265.06021	3.3
265.09805	4.7
266.06857	5.8
266.10696	1.5
267.06540	7.4
269.08163	2.9
278.06906	2.7
278.95605	1.3
279.07690	3.1
279.11066	2.4
280.08511	4.2
281.04459	3.0
281.09323	32.0
282.09799	3.3
283.05878	1.5
289.09631	1.6
292.08658	2.8
293.09286	22.7
294.09790	2.7
295.10831	2.1
305.09329	2.0
307.10773	6.7
308.11563	3.5
311.05637	12.8
313.07162	13.9
313.11249	5.6
314.07312	1.2
323.10294	1.4
325.11734	2.9
327.21747	3.7
328.21866	1.9
337.11844	4.2
339.13367	1.7
341.06741	3.2
357.06296	1.7
359.07733	18.2
360.07672	1.8
368.13773	1.8
378.11942	16.3
379.12286	1.7
386.15118	2.7
397.14047	2.8
398.18994	1.9
400.16528	3.6
413.13428	1.4
428.16006	9.4
429.16568	2.1
430.13702	1.4
446.17178	1.4
454.14243	1.5
460.18619	8.7
472.15195	1.3
486.16589	1.5
488.18338	9.6
491.09930	1.9
502.19852	2.4
504.17526	2.8
509.10861	1.6
520.20703	4.4
521.21265	1.4
532.17084	4.5
534.22443	13.6
535.22156	1.7
540.15570	5.6
546.18542	3.1
547.19476	1.7
548.20502	11.8
564.19812	100.0
565.19989	12.2
578.21594	3.9
579.22327	21.0
580.22968	53.0
581.23523	6.0
711.28204	1.4
720.04474	1.4
776.26221	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	979.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99820	0.4
69.03479	0.3
69.58339	1.2
69.58751	0.5
70.23206	0.2
71.01383	15.7
72.01707	0.4
72.99308	13.2
73.02954	2.1
75.00876	8.1
75.15740	0.2
83.01385	2.7
84.02168	0.3
85.02953	18.2
87.00873	3.3
89.02443	3.1
95.01383	4.3
97.02927	0.3
99.00884	7.4
101.02451	2.3
103.00378	4.4
107.01394	0.3
109.02945	1.0
111.00893	0.5
113.02450	24.3
114.02783	0.7
115.00372	2.1
117.01965	1.3
117.03449	1.5
117.80051	0.3
119.05012	0.4
129.01941	1.0
129.03488	0.4
131.03494	2.2
133.01428	1.0
139.00372	0.3
145.02956	0.3
146.03763	0.6
147.04530	3.7
149.02470	0.4
151.00352	0.6
157.01422	1.3
159.04489	0.8
163.02510	0.4
175.02477	5.2
193.03532	10.8
194.03809	0.3
211.65295	0.3
225.05392	0.4
235.04576	0.9
269.04547	22.7
269.07968	1.2
270.04865	1.7
283.06134	0.4
289.05685	1.5
307.06671	0.3
311.05634	0.9
313.07190	0.3
333.04767	1.4
351.05664	100.0
352.05988	5.8
353.06348	0.7
487.08801	1.1
603.09613	0.4
621.10968	22.1
622.11371	3.2
623.12506	0.4
670.63660	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	977.6714
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87068	0.4
69.87456	0.3
71.05028	0.2
71.15425	0.1
73.02964	0.2
78.74920	0.1
78.92033	0.2
98.20511	0.3
104.48163	0.2
107.24810	0.1
111.10181	0.1
120.76495	0.1
135.04492	0.3
161.02519	0.2
170.61278	0.1
209.11499	0.1
319.81473	0.2
357.26068	0.3
379.29871	0.3
389.28516	0.3
391.30051	0.3
393.31924	0.2
401.28488	0.5
403.30115	0.2
407.29657	0.9
409.31281	1.1
417.28247	0.3
419.29556	0.5
421.31171	2.2
422.31171	0.2
425.30405	0.7
439.32095	0.5
441.33737	4.2
442.34052	0.4
443.31827	0.3
453.29858	0.8
457.33331	1.5
459.35150	0.4
473.32907	1.2
485.32712	9.7
486.33051	1.3
503.33777	100.0
504.34106	13.1
704.78003	0.2
927.76611	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	979.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	0.9
71.01385	18.3
72.99306	13.2
73.02950	3.0
75.00871	8.0
83.01391	2.1
85.02952	18.7
87.00880	4.0
89.02446	3.3
95.01388	4.7
97.02924	0.4
99.00889	7.5
101.02446	2.5
103.00363	4.2
107.01427	0.4
109.02938	1.0
111.00873	0.6
113.02450	24.6
114.02784	0.6
115.00397	2.3
117.01933	1.4
117.03461	1.6
129.01958	1.2
131.03494	2.2
133.01430	1.0
135.04517	0.4
149.02391	0.6
151.00330	0.7
157.01411	1.5
159.04491	0.5
161.02632	0.4
163.02486	0.5
175.00999	0.4
175.02469	5.3
185.87729	0.4
193.03516	11.4
201.05693	0.6
202.88326	0.3
230.11456	0.6
235.04562	0.9
269.04544	22.3
270.04892	1.4
289.05606	1.7
307.06772	0.6
311.05777	1.0
333.04691	1.4
351.05667	100.0
352.05957	5.5
357.33398	0.3
487.09064	1.0
621.10944	22.2
622.11469	3.2
650.44104	0.4
914.22241	0.4
990.33496	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	977.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.9
71.01383	17.5
72.98920	0.7
72.99310	11.4
73.02950	2.4
75.00878	7.7
83.01385	2.7
85.02954	17.5
87.00879	4.6
89.02441	3.1
92.61124	0.4
95.01387	4.4
97.02970	0.4
98.19800	0.6
99.00883	6.9
101.02442	2.9
103.00372	4.3
107.01373	0.6
109.02909	0.4
111.00895	0.8
112.17490	0.3
113.02454	25.7
114.02814	0.7
115.00357	2.3
117.01920	1.3
117.03458	1.4
129.01926	1.4
131.02661	0.4
131.03441	2.2
133.01451	1.2
139.00414	0.5
149.02448	0.5
151.00352	0.6
157.01405	1.0
175.02495	5.4
193.01744	0.8
193.03517	11.8
194.03952	0.5
201.05574	0.4
224.04822	0.4
225.05455	0.4
232.43025	0.4
235.04474	0.7
263.48566	0.3
268.03818	0.5
269.04547	22.8
270.04950	1.3
289.05438	1.7
311.05612	1.1
333.04553	1.2
351.05667	100.0
352.06015	5.3
487.08594	0.9
580.54877	0.4
586.42560	0.4
607.71893	0.4
621.10980	22.0
622.11353	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	977.6207
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.3
69.08969	0.1
69.37189	0.9
69.37592	0.4
70.19083	0.2
71.01374	0.7
71.05016	0.3
72.99329	0.2
73.02945	0.4
81.03480	0.2
83.01366	0.2
83.05016	0.5
85.02495	0.2
85.02956	2.1
95.05016	0.7
97.02953	0.3
97.06594	3.1
101.02434	0.3
109.02933	0.5
110.03735	0.2
111.08113	0.2
123.08131	0.4
125.09735	0.8
126.93035	0.2
127.11261	1.1
133.02928	0.6
134.03685	0.2
134.85269	0.1
135.04518	3.2
136.04832	0.2
137.09720	0.4
145.02939	0.4
149.09653	0.2
155.10820	0.3
155.14384	0.4
161.02449	2.1
162.02710	0.2
163.11331	0.2
165.12828	0.8
167.14409	0.8
171.10262	5.7
175.52245	0.2
177.12802	1.1
179.03491	4.4
180.03923	0.4
181.12390	0.4
183.13892	3.0
185.11877	0.7
193.12315	1.0
197.11818	0.6
203.10860	0.3
209.11853	1.2
211.13382	16.9
212.13670	0.7
221.11827	2.9
227.12816	0.2
229.14427	12.2
230.14708	0.6
239.12877	1.9
247.20596	0.4
267.06635	0.7
268.07034	0.2
273.18433	0.2
291.19678	3.1
292.19901	0.3
309.20728	0.7
311.05591	1.3
312.05292	0.2
327.21738	100.0
328.22092	7.6
341.06534	0.4
398.53284	0.2
441.21371	0.8
491.09427	0.2
511.19019	0.2
621.29248	0.3
935.96790	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	976.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16714	100.0
89.54842	24.4
90.90578	25.7
116.30668	23.8
162.37134	26.5
227.64413	28.9
243.98705	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	971.6602
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84952	0.8
72.99275	0.3
76.29025	0.3
89.02423	0.3
96.38174	0.3
98.05600	0.3
107.77719	0.3
116.92856	1.3
147.24403	0.3
161.02406	0.5
170.53203	0.4
277.21808	0.3
301.14862	0.3
407.29861	0.4
435.28983	0.4
453.30081	22.4
454.30359	2.3
462.65698	0.3
483.31161	100.0
484.31512	13.8
484.38736	0.6
487.34271	25.4
488.34656	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	975.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	7.8
72.99286	0.6
73.02934	1.0
85.02950	1.8
89.02447	3.9
95.01384	0.8
96.32350	0.4
98.19808	1.0
99.00855	0.4
101.02447	5.5
113.02462	2.2
117.03481	0.9
119.03506	1.8
121.03008	0.7
122.03780	0.5
123.32297	0.4
132.02184	4.9
133.02983	2.9
134.03745	8.4
135.04501	1.2
147.04497	1.6
148.05307	77.2
149.05721	2.6
160.01663	21.4
161.02454	10.8
161.04555	1.2
162.02832	0.4
163.07652	57.7
163.11234	2.8
164.07961	2.7
175.04012	21.1
175.05193	0.3
176.04655	1.6
178.02641	0.5
179.03539	1.4
179.07140	0.6
191.07126	1.8
193.05060	6.6
203.05682	2.8
207.10266	7.0
208.10602	0.4
235.06046	3.0
247.24550	0.4
265.06955	0.4
293.99237	0.4
295.08383	0.9
367.13644	0.6
369.15497	0.6
387.16611	52.8
388.16907	4.3
407.10440	0.5
489.17416	1.2
503.18997	0.7
531.18597	0.7
563.21326	100.0
564.21729	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	975.6931
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39132	0.3
73.36415	0.1
90.24842	0.1
100.08514	0.1
117.68030	0.1
140.07518	0.1
159.08011	0.1
175.98314	0.1
182.25169	0.1
191.93996	0.1
202.40231	0.1
261.30719	0.1
421.30954	0.2
439.31949	0.1
441.33508	0.1
487.34262	100.0
488.34616	12.8
607.34674	0.1
698.27289	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	976.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51723	99.6
75.00895	16.6
102.06635	13.4
103.80414	13.2
133.02989	23.7
135.04538	32.4
161.02452	43.9
172.32420	12.8
355.91602	14.0
469.33377	100.0
470.33380	60.6
488.34576	25.4
489.35254	20.0
503.33316	37.7
626.85242	14.7
809.69177	19.6
831.14685	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	970.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
85.77103	68.2
98.20684	100.0
103.22388	71.5
133.64980	81.8
137.87852	72.3
410.29205	76.8
535.50537	68.8
600.63702	81.7
610.04938	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.8
71.30045	0.1
71.45006	0.2
73.02946	0.5
83.01402	0.2
83.05014	0.2
85.02953	0.3
89.02463	0.5
101.02452	0.8
104.45918	0.1
109.06591	0.3
113.02457	0.4
119.03489	0.2
119.08645	0.1
133.05078	0.1
161.02405	0.1
161.04565	0.4
203.53600	0.1
231.17531	0.2
235.08211	0.4
249.18593	22.7
250.18919	1.6
253.09297	3.3
309.20947	0.1
312.88617	0.1
371.25851	0.2
375.26840	0.2
393.31665	0.1
405.26883	0.2
405.31665	0.5
406.32407	0.1
421.31183	0.4
423.32730	1.6
424.33313	0.3
437.30157	0.3
439.32196	1.4
440.32303	0.2
441.33682	1.1
455.31863	0.7
455.37619	0.2
465.29895	0.1
467.31650	1.2
468.32004	0.2
473.32672	0.6
485.32712	100.0
486.33069	13.3
486.40387	0.3
571.04816	0.1
991.66437	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	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	0.2
69.03453	0.4
69.84899	0.1
70.81812	0.3
71.01382	6.9
72.99314	0.5
73.02946	1.0
80.65935	0.1
81.03467	0.2
83.01393	0.5
83.05012	0.2
85.02955	1.7
86.00124	0.2
87.00880	1.8
89.02446	6.1
93.03457	0.2
95.01392	0.6
95.04976	0.1
97.02964	0.9
99.00877	0.5
101.02448	4.8
111.00859	0.2
111.04496	0.2
111.08164	0.6
113.02457	2.7
113.09765	0.2
115.98572	0.1
119.03503	1.5
121.02955	0.2
122.77814	0.1
124.81886	0.1
125.01577	0.2
125.02443	2.1
127.68810	0.1
131.03471	0.4
141.01933	0.2
141.09219	0.1
143.03517	0.8
149.04559	0.2
161.02505	0.2
161.04582	1.2
167.10791	0.2
171.10249	0.2
177.12875	0.2
179.05644	1.8
179.14365	0.6
181.12267	0.2
195.13895	7.5
196.14384	0.7
197.12714	0.2
198.26389	0.1
205.12300	0.8
205.15950	0.4
211.13380	0.6
221.06654	0.5
223.13387	4.9
223.15599	0.3
224.13770	0.3
225.14908	0.4
228.13663	0.9
231.21167	0.3
235.08234	1.4
253.09456	0.6
256.13150	1.3
263.07782	0.1
265.21716	0.4
275.20151	4.9
276.20505	0.5
287.07727	0.5
293.21222	100.0
294.21545	7.5
305.08664	0.7
317.21048	0.2
323.09775	0.4
379.12527	0.8
397.13480	14.7
398.13812	1.0
415.14566	9.3
416.14783	0.5
569.42072	1.2
570.42480	0.2
654.27283	0.4
673.34509	0.7
691.35242	2.2
692.36096	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	967.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.1
71.01382	21.2
72.99301	2.1
73.02950	3.6
79.98152	0.7
81.03442	1.2
83.01398	2.4
83.05019	1.3
85.02962	5.1
87.00877	5.5
89.02444	18.1
95.01393	1.6
97.02962	4.0
98.19853	2.5
99.00866	1.3
101.02446	17.5
102.91057	0.8
111.04471	0.8
111.08148	6.7
112.95853	0.8
113.02436	9.9
119.03501	5.4
122.88958	0.7
125.02449	7.5
131.03448	1.0
139.03923	0.8
143.03525	3.7
145.82153	0.7
149.04684	0.8
153.12833	1.0
161.04559	3.4
169.12289	4.1
171.10222	1.7
179.05641	6.2
181.12363	1.1
183.13986	0.9
185.04303	1.0
195.13931	1.2
197.11815	35.3
197.15681	1.1
199.13387	1.8
207.13860	1.6
209.15451	4.6
211.13379	6.0
220.68881	0.8
221.06668	2.3
223.13383	1.3
223.17014	2.5
225.14987	7.6
235.08226	6.7
251.16512	6.2
253.09201	1.3
263.07639	0.8
263.20209	2.4
273.18573	1.5
277.21716	57.5
278.22095	4.9
287.07825	2.7
289.18158	1.3
291.19653	20.4
291.22940	1.3
292.20084	1.9
305.08682	2.6
309.20709	100.0
310.21060	8.3
323.09766	1.0
379.12634	4.6
397.13504	54.4
398.13843	3.2
415.14569	19.2
416.14777	0.9
689.33807	0.9
707.35095	1.4
763.03546	0.9
863.84753	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	967.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71845	0.1
69.03452	0.5
71.00999	0.3
71.01376	4.7
72.99303	0.3
73.02950	4.6
81.03429	0.2
83.01398	2.0
85.02960	0.9
89.02441	0.4
95.01311	0.2
96.96018	0.3
97.02979	0.2
99.00877	0.2
101.02445	11.0
102.02746	0.3
109.02919	0.2
113.02451	1.8
116.92916	0.2
119.03481	0.2
123.04468	0.2
125.02423	0.9
126.01749	0.2
131.03490	0.9
133.02940	0.5
135.04500	0.7
137.02457	0.2
143.03526	1.2
145.02974	0.4
155.03493	0.5
161.02492	1.3
161.04561	1.7
163.04025	0.2
179.03499	0.5
182.52176	0.2
203.05598	3.7
221.06651	0.3
267.06406	0.3
311.05652	0.3
324.42535	0.2
407.22028	0.2
407.33282	1.1
423.32813	0.2
425.34479	0.3
439.32227	0.2
471.34769	100.0
472.35117	14.7
485.36551	2.6
486.36801	0.5
513.35803	2.7
514.36121	0.6
543.36908	0.5
557.34979	0.4
675.41180	0.6
717.42133	0.5
777.44757	0.7
837.46600	0.4
879.46808	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	967.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	1.5
71.01385	18.4
71.63225	1.4
72.99309	2.4
73.02933	2.5
83.01376	2.5
85.02950	5.5
87.00882	4.9
89.02453	15.3
95.01394	1.6
97.02957	9.0
97.06584	2.0
99.00901	1.5
101.02451	14.3
111.04538	1.2
111.08164	2.3
113.02469	8.3
119.03465	5.9
125.02457	6.2
126.49570	1.0
137.09706	2.7
139.40546	1.0
143.03500	2.7
146.44458	1.1
161.02411	1.4
161.04543	3.9
169.12173	1.1
171.10268	6.5
177.12714	1.4
179.05594	3.1
183.13853	2.4
190.26007	1.1
191.10875	1.1
193.24619	1.1
195.13927	3.2
197.11859	8.8
209.11874	1.7
209.15437	1.6
211.13329	3.2
223.17075	1.2
225.14951	1.9
235.08183	5.2
239.12766	1.3
247.20589	1.6
251.16457	1.8
273.18649	2.1
277.21716	47.6
278.22018	4.7
287.07773	1.6
291.19684	23.3
292.19733	1.4
309.20712	100.0
310.20938	5.9
323.09573	1.5
379.12405	2.4
396.13556	1.2
397.13486	46.0
398.13708	2.4
415.14584	12.8
689.33234	1.9
910.86719	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	965.685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31183	7.1
94.78059	0.5
102.10410	0.7
120.40202	0.6
126.90514	1.3
228.94102	0.7
309.03653	0.6
330.49081	0.8
375.77719	0.8
377.28268	0.8
393.31531	1.3
423.32834	1.1
471.34793	100.0
472.35104	13.9
519.61499	0.7
630.97968	0.7
692.98669	0.8
965.68567	98.1
966.68866	25.3
1004.51575	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	967.287
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01913	0.2
68.99811	0.2
71.01387	4.5
71.64154	0.2
71.64491	0.2
72.99308	1.3
73.02949	0.6
75.00874	2.3
83.01403	0.4
84.02167	0.3
85.02956	11.9
86.03310	0.2
87.00882	1.7
89.02451	1.0
93.03452	0.5
95.01393	3.4
95.01999	0.3
99.00885	4.2
101.02453	0.3
103.00359	1.5
105.03436	0.2
107.01392	1.5
109.02930	0.3
113.02453	23.0
114.02785	0.4
115.00381	0.9
117.01963	1.1
117.03455	4.0
117.04239	0.3
121.02956	0.3
123.04527	0.2
129.01941	0.8
133.02936	0.3
135.04532	1.7
137.02432	0.7
139.00339	0.3
149.02440	1.6
151.00374	1.4
155.05112	0.2
157.01448	0.5
159.04514	1.0
161.02458	1.5
169.06607	0.4
171.04590	0.2
175.02475	11.5
176.02769	0.3
179.03554	0.4
180.05821	0.3
181.06604	0.6
183.04491	0.9
185.82941	0.1
189.05797	0.2
196.05211	0.3
197.06081	0.6
201.05571	0.6
224.04694	0.3
225.05588	1.5
227.03473	0.5
229.01430	0.2
241.04993	0.2
268.03629	0.2
269.04541	100.0
270.04883	7.2
270.07843	0.3
281.06668	0.5
283.06155	0.3
311.05594	0.2
332.42740	0.2
339.05099	0.6
359.07690	0.2
445.07736	22.9
446.08011	2.7
447.07828	0.2
521.12439	0.9
810.38269	0.2
864.49756	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	965.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.1
71.01382	15.4
72.99296	1.4
73.02940	2.3
78.95918	0.8
83.01371	1.9
83.05035	0.7
85.02946	2.7
87.00897	3.4
89.02441	13.7
97.02946	2.8
101.02438	10.9
111.08163	7.6
113.02450	6.3
119.03471	1.8
125.02452	3.4
143.03482	2.1
152.99611	2.1
161.04543	2.7
167.10791	1.8
175.24321	0.9
177.12834	2.3
179.05585	4.9
179.10748	1.7
195.12238	1.1
195.13893	11.6
196.14412	1.0
221.06636	1.5
223.13379	3.6
228.13626	0.8
235.08122	3.9
245.04103	0.9
247.20647	2.2
255.23232	2.9
256.13086	1.3
273.18594	1.2
275.20187	4.5
287.07758	1.1
291.16205	1.2
291.19653	87.0
292.20062	5.2
293.21228	100.0
293.43951	0.7
294.21579	6.7
305.08667	1.3
379.12527	2.1
397.13513	32.6
398.13742	1.9
415.14539	13.3
481.25571	2.6
483.27158	2.1
567.40344	0.8
671.33014	3.7
673.34711	1.2
689.34064	7.4
690.34100	1.4
691.35571	1.6
809.85724	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	965.6841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42855	4.3
69.43283	2.5
74.23641	0.9
92.73958	0.7
98.19819	1.5
115.24602	0.9
159.19495	0.8
162.43573	0.8
222.46925	0.8
260.67090	0.9
277.21780	0.8
375.94070	0.8
407.33160	2.8
471.34778	100.0
472.35172	12.5
965.68481	96.7
966.68817	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	963.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43118	1.7
69.43536	0.7
70.81545	0.3
71.01379	8.0
72.99324	0.6
73.02951	3.4
83.01385	1.4
85.02948	2.5
87.00871	0.6
89.02451	5.9
91.18175	0.3
93.03456	11.5
95.01385	1.0
101.01784	0.4
101.02441	7.2
108.02168	0.5
111.19673	0.3
113.02444	4.5
117.63567	0.2
119.03499	2.7
131.03473	0.7
135.04544	0.4
136.01665	3.2
137.02443	26.4
137.09724	1.1
138.02763	0.8
146.03856	0.2
149.02342	0.3
149.04538	0.7
151.04024	0.9
155.03465	0.2
161.04539	1.9
163.11290	2.4
179.03494	10.1
180.03993	0.4
189.12814	0.4
207.10262	5.9
209.04623	1.4
221.06674	0.7
222.76512	0.3
225.11391	0.4
239.05603	5.8
369.15720	1.0
387.16592	25.1
388.16907	2.3
411.20361	0.5
447.16562	3.2
448.16983	0.3
464.03580	0.3
489.17761	0.5
503.30075	1.0
507.18695	100.0
508.19000	12.6
508.26569	0.6
509.18985	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	963.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39079	0.1
69.70568	0.8
71.00986	0.2
71.01379	4.4
71.93981	0.1
72.99311	0.8
73.02949	0.6
75.00854	0.1
83.01382	1.0
85.02951	1.7
87.00884	0.2
89.02446	0.5
93.03471	0.6
95.01389	0.9
99.00881	0.6
101.02450	1.3
103.00389	0.1
105.03480	0.2
107.01384	1.4
109.02969	0.3
113.02444	2.4
115.00356	0.9
117.01290	0.1
117.03466	3.4
121.02938	0.2
131.03450	0.1
133.01425	0.6
133.02940	0.2
135.04556	0.5
137.02446	0.4
139.00385	0.4
145.02940	0.2
145.57465	0.1
149.02441	1.0
151.00397	1.0
159.04512	1.6
161.02454	1.1
161.04549	0.4
169.06609	0.5
175.02402	0.3
176.01042	0.2
179.03471	0.3
180.05763	0.2
181.06625	0.4
183.02867	0.1
183.04443	0.8
196.05336	0.4
197.06084	0.6
199.04013	0.2
201.05582	0.5
210.14850	0.2
211.04030	0.2
219.19879	0.1
224.04825	0.2
225.05565	1.3
227.03426	0.7
240.04321	0.2
241.05092	0.2
242.61806	0.1
267.16129	0.1
268.03772	1.0
269.04538	100.0
270.04874	6.3
281.04529	0.4
283.06091	0.3
311.05710	1.3
319.06702	0.5
323.05609	0.2
337.07776	4.6
338.07922	0.2
383.07343	0.2
427.06665	0.7
459.18680	0.2
473.10809	0.5
545.12885	0.6
607.13031	20.4
608.13477	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	963.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	53.1
91.05532	0.7
93.03468	1.1
95.05035	0.9
96.00368	0.7
96.96030	0.9
107.05019	1.1
108.02206	1.0
109.02954	7.1
121.03011	1.9
122.03809	0.8
123.04527	19.4
132.02200	1.1
133.02960	14.4
134.03809	3.3
135.04529	78.7
136.04842	2.6
145.02872	1.1
147.04543	2.6
148.05289	1.1
149.02452	7.7
150.03214	5.6
151.03995	3.9
159.04535	1.7
161.02446	30.4
161.06082	3.0
162.02808	1.7
175.43605	0.7
179.03497	45.7
180.02353	0.6
180.03822	2.1
193.99998	0.6
197.04549	73.3
198.04874	2.6
239.05592	2.7
266.05820	0.7
267.06573	5.4
268.07343	1.5
269.08029	1.4
270.08853	1.0
283.06177	1.3
311.05627	8.6
312.05838	0.8
314.08035	1.4
315.08319	0.7
329.95282	0.7
341.08817	1.9
359.07828	2.8
361.09686	0.7
427.13995	2.2
471.13086	4.6
489.14032	100.0
490.14276	9.8
513.13898	1.9
562.18335	3.2
593.29584	0.9
649.15497	1.7
651.17157	37.5
652.17322	4.8
683.66858	0.8
783.19244	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	961.6768
Annotation	Unknow
Peak:m/z	Relative Intensity
71.11417	0.2
71.11736	0.2
84.39411	0.1
87.40833	0.2
123.64480	0.1
487.34271	100.0
488.34625	14.5
564.95966	0.2
770.67188	0.2
859.45679	0.2
899.80652	0.2
901.80560	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	963.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	53.1
91.05532	0.7
93.03468	1.1
95.05035	0.9
96.00368	0.7
96.96030	0.9
107.05019	1.1
108.02206	1.0
109.02954	7.1
121.03011	1.9
122.03809	0.8
123.04527	19.4
132.02200	1.1
133.02960	14.4
134.03809	3.3
135.04529	78.7
136.04842	2.6
145.02872	1.1
147.04543	2.6
148.05289	1.1
149.02452	7.7
150.03214	5.6
151.03995	3.9
159.04535	1.7
161.02446	30.4
161.06082	3.0
162.02808	1.7
175.43605	0.7
179.03497	45.7
180.02353	0.6
180.03822	2.1
193.99998	0.6
197.04549	73.3
198.04874	2.6
239.05592	2.7
266.05820	0.7
267.06573	5.4
268.07343	1.5
269.08029	1.4
270.08853	1.0
283.06177	1.3
311.05627	8.6
312.05838	0.8
314.08035	1.4
315.08319	0.7
329.95282	0.7
341.08817	1.9
359.07828	2.8
361.09686	0.7
427.13995	2.2
471.13086	4.6
489.14032	100.0
490.14276	9.8
513.13898	1.9
562.18335	3.2
593.29584	0.9
649.15497	1.7
651.17157	37.5
652.17322	4.8
683.66858	0.8
783.19244	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	959.6977
Annotation	Unknow
Peak:m/z	Relative Intensity
71.11180	0.4
71.11525	0.4
72.99316	0.2
116.92871	1.5
120.64393	0.3
179.03548	0.3
206.46689	0.3
223.09894	0.3
284.74548	0.3
456.70984	0.3
471.34778	100.0
472.35059	13.2
485.32486	0.4
486.32819	0.5
487.33960	0.5
553.20764	0.3
568.68707	0.3
653.88086	0.3
847.84259	0.3
959.70404	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	960.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62966	48.7
116.92848	100.0
126.68117	44.4
220.68680	40.4
223.13269	79.0
253.42448	42.4
293.21414	79.0
397.13464	58.8
398.13925	45.8
399.13492	44.0
593.50537	43.5
884.34698	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.3
69.70911	0.1
71.05013	0.3
71.34142	0.1
72.93283	0.1
78.99553	0.1
103.58806	0.1
161.02458	0.2
172.44312	0.1
267.18405	0.1
377.28284	0.5
391.29971	0.3
393.31677	0.4
403.30249	0.2
405.31595	0.3
407.28400	0.2
407.33249	2.0
408.33514	0.2
409.34872	0.3
421.31461	0.1
423.32797	1.9
424.32623	0.1
425.34213	0.5
427.32034	0.3
427.77481	0.1
437.30539	0.3
439.32257	0.5
441.33704	0.8
443.35590	0.2
453.33719	0.5
457.33215	0.3
467.31677	1.2
468.31894	0.2
469.33191	4.5
470.33582	0.4
471.34866	1.7
472.35083	0.2
475.33963	0.2
485.32584	0.2
487.34271	100.0
488.34637	12.6
891.56805	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	959.6615
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46594	0.3
69.47007	0.7
83.05027	2.6
98.20572	0.2
161.02402	0.2
165.45175	0.1
206.67070	0.1
239.98451	0.1
325.25595	0.2
339.26840	0.3
355.26373	0.6
357.27902	0.5
375.27029	0.1
401.27185	0.4
403.30185	0.2
405.31662	0.6
413.30704	0.9
421.30930	0.7
423.32660	0.9
425.30585	0.2
435.28903	0.2
437.30475	0.5
441.33658	0.6
455.31915	0.8
465.30286	0.8
467.31644	8.6
468.31851	1.0
473.33038	0.3
485.32709	100.0
486.33078	13.2
486.40646	0.2
511.30478	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	957.6832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.3
73.02938	0.2
80.87530	0.2
85.02921	0.2
101.02414	0.3
137.02480	0.2
157.23451	0.2
161.02452	0.4
163.07622	0.9
171.10199	0.2
198.09192	0.2
199.87271	0.2
358.46585	0.2
423.32886	0.5
455.31180	0.2
471.34799	100.0
472.35147	12.1
472.42178	0.3
485.32684	6.2
486.33243	1.0
560.51648	0.2
605.40192	0.4
623.41168	0.4
665.42163	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	959.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	0.6
69.99104	1.9
71.01389	0.8
72.99308	78.5
73.99686	0.7
75.25508	0.5
75.59033	0.5
84.35882	0.4
87.00877	0.9
87.38409	0.5
89.02455	0.4
93.03511	0.6
95.04973	0.5
97.06587	6.7
101.02414	0.5
113.02363	0.4
121.02969	6.3
122.03719	0.7
123.04526	5.1
132.02145	1.1
133.02956	26.1
134.03807	2.7
135.04535	6.2
137.02431	2.8
139.04018	1.5
143.94434	0.5
146.03734	0.9
147.04526	0.8
148.05301	0.5
149.06097	0.8
150.03230	1.7
151.03967	1.0
158.03731	0.7
159.04520	1.0
159.08139	1.3
161.02441	89.6
162.02815	3.9
162.06894	0.9
163.07637	1.5
165.09253	0.7
172.05327	1.7
173.06064	2.8
174.03244	0.6
174.06825	0.9
175.04007	1.2
175.07617	3.1
176.04779	1.9
178.02690	6.2
179.03502	3.9
184.05234	0.5
185.09697	0.5
187.04050	1.4
187.07640	24.3
188.08035	0.9
189.05473	0.6
190.06316	6.9
191.10825	1.1
193.08766	0.6
200.04694	0.7
201.05560	1.2
201.09247	2.9
202.06300	5.2
203.07088	0.6
203.10748	2.6
204.07808	0.8
205.08704	4.8
213.09177	6.8
214.09676	0.6
215.07156	2.6
216.07965	0.8
218.05957	0.6
219.10240	21.6
220.10574	1.2
221.11803	1.0
229.08745	0.9
231.10248	18.7
232.10680	1.3
247.09735	1.1
249.11346	1.4
257.08276	1.0
275.09253	11.7
276.09543	1.2
293.10303	100.0
294.10669	6.9
305.64291	0.5
311.11411	0.8
319.08328	2.3
399.23895	1.6
455.13461	90.6
456.13803	11.2
459.26169	0.8
478.88687	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	955.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	2.8
71.01383	100.0
72.99304	8.4
73.02949	55.2
75.00884	3.4
81.53489	2.6
83.01392	24.6
85.02953	28.3
87.00857	4.2
87.04510	2.8
87.61561	2.4
88.98785	7.4
89.02435	28.5
93.03489	2.4
95.01384	8.2
95.53524	2.4
97.02943	3.6
98.13268	2.1
99.00899	4.2
99.41248	2.4
101.02447	57.0
109.02969	3.6
112.01629	2.8
113.02458	48.0
119.03479	13.9
125.02437	4.1
131.03477	3.8
133.02946	7.6
135.04521	11.6
143.03477	6.4
151.47054	2.4
161.02463	24.1
161.04535	18.2
179.03474	7.9
179.05579	4.1
238.15913	2.8
289.99088	2.4
311.05466	3.8
360.08490	2.9
474.08179	2.9
747.46838	37.6
748.47314	7.5
765.48090	47.6
766.48114	8.7
775.78455	2.6
783.49200	11.7
795.91931	2.8
807.49017	53.7
808.49103	8.7
825.50006	45.1
826.49756	6.6
867.51154	20.0
868.51025	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	957.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	3.3
71.01385	99.1
72.99314	5.9
73.02949	80.3
74.03254	2.2
75.00870	3.0
83.01398	25.8
85.02960	21.4
86.03249	1.8
87.00890	4.8
89.02447	51.9
93.03470	14.8
95.01388	5.3
97.02973	3.5
99.00841	1.9
101.02445	100.0
102.02772	2.1
106.58064	1.5
113.02455	58.3
114.02808	1.7
117.03454	2.4
119.03503	34.5
125.02434	4.9
131.03502	13.9
133.02998	2.6
134.03711	3.3
135.04527	2.8
137.02448	33.8
137.09718	11.7
141.72844	1.7
143.03491	12.2
145.02939	6.0
149.04558	26.2
155.03537	1.9
161.02426	5.3
161.04565	49.6
163.04024	2.4
178.02739	4.0
179.03452	3.2
179.05618	23.2
189.12874	3.6
193.05060	5.9
203.05560	2.6
221.06654	14.4
269.50726	1.5
307.08142	4.4
356.75784	1.8
387.16333	1.7
397.22266	11.8
398.23026	1.9
411.20108	3.7
415.15121	2.0
415.23181	3.9
444.21683	1.8
449.10938	7.5
457.24548	12.8
501.14084	13.1
507.18594	8.5
522.19550	1.6
541.62048	1.7
548.17114	2.0
907.32739	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	955.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53609	0.5
71.01366	3.2
72.99318	3.5
75.00845	0.8
77.44120	0.5
85.02941	3.2
87.00870	0.9
89.02422	0.9
95.01359	0.8
99.00858	0.8
101.02402	1.7
105.03444	0.7
108.02181	1.3
109.02956	16.5
110.03284	0.9
113.02434	4.2
117.03444	1.0
119.03610	0.6
119.05013	0.8
121.02937	1.7
123.04518	3.2
129.03476	0.8
133.02956	9.4
135.04521	10.9
136.04890	0.9
137.02443	1.6
145.02934	5.5
146.03726	1.3
147.04518	10.1
149.02440	0.7
151.03996	1.7
157.02956	4.6
157.66913	0.6
158.03719	1.3
159.04501	9.7
160.04774	0.9
161.02440	33.4
162.02769	1.9
163.04036	0.7
173.02402	1.8
174.03174	0.9
175.02448	2.1
175.04002	4.0
177.01845	1.2
179.03464	5.0
183.10280	0.7
185.02377	2.9
196.33388	0.7
197.04506	1.9
201.01903	1.8
203.03499	2.0
210.06793	0.7
211.07709	1.3
221.06039	2.2
229.01414	25.3
230.01881	1.5
239.07164	1.9
241.05052	0.7
248.04688	0.7
249.05470	3.6
250.06192	2.1
253.05017	1.1
265.05026	0.7
266.05792	1.8
267.06625	13.6
268.06894	1.0
269.04550	14.5
269.08139	7.2
270.04868	3.3
270.08459	1.6
276.04272	1.0
277.05054	7.2
278.05640	1.4
285.07550	0.6
293.04608	4.1
294.05383	2.3
295.06100	16.9
296.06451	1.0
311.05612	1.7
313.07181	15.7
314.07510	1.8
339.05072	100.0
340.05365	9.7
347.07285	0.8
347.23965	0.7
357.06131	6.0
358.06613	2.3
359.06711	1.3
373.18774	1.3
383.07547	0.7
422.25140	0.6
445.07590	3.3
446.08170	1.0
493.11526	2.1
509.10788	0.8
536.33990	0.8
537.10437	5.5
538.10663	1.4
953.23010	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	955.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	100.0
72.99329	13.6
73.02959	24.3
77.44222	6.3
83.01402	14.3
85.02946	62.7
87.00925	8.0
89.02435	9.8
95.01408	14.0
99.00904	8.7
101.02445	63.2
113.02469	39.2
113.52662	6.0
133.02975	12.9
135.04503	11.2
161.02475	16.8
161.04556	29.7
163.07646	11.2
179.03543	9.8
210.84363	6.5
485.32809	8.1
536.06659	8.0
541.24835	7.8
656.32410	12.1
747.47174	26.6
765.47729	72.2
766.48743	15.6
783.49298	14.6
807.49207	62.3
808.48975	13.4
825.49799	54.9
826.50867	14.4
867.51086	59.3
868.51117	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	951.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11505	3.4
69.75850	21.8
72.99317	5.4
74.44154	2.9
93.03457	32.7
96.96024	3.6
106.06667	6.3
107.04982	4.4
109.02978	9.8
119.05022	5.3
121.02956	6.2
133.02988	18.2
134.03755	4.6
134.06136	33.7
135.04529	97.5
136.04851	7.1
137.02452	55.3
137.05157	4.2
145.02992	5.6
148.07773	4.6
149.02501	6.6
159.04596	3.7
160.01683	5.2
161.02457	53.3
163.03973	7.5
174.03162	3.8
174.05522	4.0
175.04018	3.5
179.03510	100.0
180.03822	12.5
181.18585	3.2
197.04605	5.5
235.08679	3.7
267.06555	28.1
268.03705	3.3
268.06912	6.4
283.06180	8.3
309.04025	8.8
311.05655	37.7
312.06097	9.9
313.06937	4.7
359.07715	4.0
407.10730	3.8
419.09979	4.4
437.10620	3.4
507.09265	4.9
531.29578	28.7
562.67572	3.7
618.22778	6.1
660.19836	12.6
662.21344	14.9
663.21338	5.5
677.23962	4.3
737.26556	32.7
738.26471	7.4
781.25439	25.1
782.25903	8.4
799.25073	8.8
810.84344	3.6
813.27856	8.2
843.25311	18.2
844.26001	5.3
875.27887	21.3
876.27289	5.4
931.49512	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	951.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.4
71.01383	28.6
72.99303	2.4
73.02954	5.2
73.35844	0.8
81.03481	1.8
83.01389	2.8
83.05020	1.1
85.02950	6.5
87.00883	7.3
89.02449	22.6
95.01411	1.6
97.02970	4.5
99.00884	1.5
101.02440	18.4
113.02456	12.9
117.13852	1.0
119.03516	7.6
121.10246	3.8
125.02449	9.3
133.03041	0.9
143.03528	2.9
161.04585	6.3
171.10272	20.0
179.03687	0.7
179.04163	1.0
179.05620	6.8
183.13889	6.3
185.11823	1.2
211.13394	2.2
213.27948	0.9
221.06686	3.3
222.51523	0.9
223.17014	2.0
223.92709	0.8
231.21298	1.4
235.08232	8.6
235.17030	14.4
275.20148	44.0
276.20508	3.2
277.21725	81.7
278.22116	4.9
287.07834	2.5
293.21231	100.0
294.21558	8.2
305.08688	2.8
323.09741	1.6
379.12411	11.3
380.12701	1.1
397.13510	61.2
398.13791	3.7
415.14526	17.5
416.14899	1.3
605.10828	1.2
675.36438	1.4
691.35815	2.2
759.02740	1.1
827.90173	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	948.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00809	12.5
71.64221	22.9
71.68523	10.8
94.68273	11.3
99.09502	13.1
147.54665	13.2
209.11887	15.8
239.96988	13.5
360.94293	14.9
471.34790	60.5
472.35263	96.1
473.35449	100.0
474.35614	74.6
475.36227	30.3
832.13489	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	948.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00190	17.2
71.01397	26.1
71.63189	23.4
89.02450	25.5
101.02439	18.5
112.19141	14.9
113.02483	22.2
116.92824	22.2
119.38963	16.3
125.02421	22.9
132.21906	13.9
176.41397	13.7
176.55153	14.1
198.90070	13.6
209.11928	24.4
255.23268	46.7
293.21054	32.0
294.21707	16.8
304.15314	15.5
359.49423	15.7
397.13602	100.0
398.13791	42.5
401.38513	15.9
415.14624	33.4
778.01276	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	946.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	13.3
87.00988	7.2
97.02980	8.0
99.92587	11.5
109.06593	13.5
116.92854	100.0
207.10283	27.0
208.10550	15.4
209.11789	6.7
211.31438	7.2
225.11369	15.0
229.57634	7.4
277.21677	20.6
278.22095	18.4
279.22333	6.9
397.13663	12.4
398.13684	8.3
465.42337	6.5
510.24982	7.1
886.47107	22.6
933.66388	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	946.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66463	10.7
71.01396	9.8
92.22514	4.8
97.02951	5.3
99.92608	13.4
106.49014	4.8
109.06573	8.6
116.92857	100.0
141.03973	4.6
159.28497	4.8
176.37172	4.5
177.69089	5.0
195.63185	6.5
196.74002	4.8
207.10240	16.6
208.10672	6.9
225.11163	6.0
277.21942	13.5
278.21930	9.4
348.79550	6.0
391.39691	6.8
397.13364	8.9
399.14087	10.3
591.52692	5.2
886.47772	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	947.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	4.1
69.36572	12.7
69.36980	3.2
71.01386	78.8
72.99328	3.0
73.02952	72.9
75.00890	2.2
78.79757	1.4
83.01392	25.1
84.05472	1.4
85.02964	16.5
87.00873	3.2
89.02446	25.7
95.01398	7.1
99.00916	2.0
101.02448	100.0
108.02200	1.8
113.02445	50.0
119.03500	16.7
121.06574	1.8
123.04533	49.0
124.04828	2.0
125.02454	2.8
131.03526	11.9
132.02158	3.4
134.03746	8.6
135.04503	10.3
137.09737	22.1
143.03510	13.3
145.02974	2.3
149.04573	21.2
149.05908	2.0
153.05579	45.8
155.03510	2.9
160.01651	22.1
161.02451	2.7
161.04562	41.6
175.03996	30.9
176.04274	3.3
179.03537	5.6
179.05548	1.6
180.89072	1.6
188.04956	1.6
189.12871	5.9
193.05029	9.3
203.05592	6.1
207.13853	2.3
221.06656	14.9
267.06613	4.1
275.28470	1.5
311.05695	4.3
312.07239	1.8
337.09286	61.2
338.09579	2.8
411.20270	7.2
436.37183	1.7
491.09866	4.7
491.15829	30.5
492.15939	2.1
775.44287	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	943.6646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38532	1.3
69.38945	4.8
70.77872	0.5
87.39833	0.6
88.35669	0.7
116.92854	1.0
135.04462	1.0
150.72252	0.6
161.02454	0.9
236.39192	0.6
278.79037	0.6
425.34418	1.5
443.35425	1.1
453.33707	3.3
469.33307	8.2
470.33798	1.2
471.28024	0.8
471.34769	16.2
472.35187	1.1
485.32681	2.3
486.32956	3.8
487.34286	100.0
488.34714	14.3
600.01477	0.8
950.91449	0.8
957.33331	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	943.667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38714	1.5
73.10366	0.2
110.03344	0.2
110.21125	0.2
127.01450	0.2
138.56784	0.2
149.42516	0.2
151.04044	0.2
161.02354	0.3
166.12805	0.2
192.93381	0.2
209.11839	0.2
224.74915	0.2
261.15649	0.2
315.66299	0.2
379.30087	0.3
405.73737	0.2
409.31027	0.8
437.30374	1.1
455.31662	25.8
456.32059	3.7
485.32715	100.0
486.33078	15.5
486.40503	0.3
516.66248	0.2
738.76959	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	943.7024
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45328	0.3
78.84340	0.1
78.96262	0.1
114.84838	0.1
323.08398	0.1
384.00485	0.1
440.59378	0.1
469.33316	0.6
470.33630	1.6
471.34756	100.0
472.35114	13.9
473.35345	0.3
624.23169	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	944.485
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84169	64.2
79.29234	26.5
82.13352	21.4
98.19918	26.5
101.70482	23.0
116.92848	100.0
263.18933	29.3
398.21902	30.7
613.29645	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	945.6822
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23010	0.2
84.51706	0.2
116.92850	0.2
133.02948	0.3
135.04514	0.3
151.78548	0.2
161.02449	0.3
179.03453	0.3
230.48804	0.2
300.02390	0.2
307.06064	0.2
307.16879	0.2
331.77216	0.2
349.27103	0.2
363.26913	0.2
392.20474	0.2
484.31720	0.2
487.34265	100.0
488.34613	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	946.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99923	4.8
71.01393	13.0
88.98796	6.4
89.02440	15.4
98.20656	8.1
101.02432	14.1
106.11695	4.5
110.15533	4.4
113.02462	7.5
116.92855	20.7
125.02463	6.6
131.07735	4.0
161.02327	6.2
161.04608	6.0
194.57468	4.2
207.10231	4.7
209.11855	100.0
210.12196	29.3
227.12831	6.8
235.08194	4.9
257.27081	5.1
277.21759	46.8
278.22089	22.2
379.12637	8.2
397.13602	30.4
398.13693	13.9
415.14716	8.4
466.25406	4.7
487.75357	4.4
546.85822	4.6
802.05939	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	941.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	4.6
71.01385	23.6
72.99313	3.4
73.02926	4.7
85.02928	4.7
87.00888	6.7
89.02438	17.8
97.02962	4.0
99.92559	6.2
101.02435	14.5
101.59749	2.0
113.02469	11.5
116.92049	2.9
116.92859	36.6
119.03483	4.2
125.02438	4.5
143.03462	4.9
161.04561	3.3
167.10709	2.3
179.05585	3.6
179.14429	3.6
195.13895	11.9
205.12355	11.1
208.70578	2.0
221.06638	3.4
223.13391	100.0
224.13707	5.9
235.08176	7.2
277.18793	3.8
277.21729	68.2
278.21906	4.9
295.63339	2.2
305.08801	4.0
354.30524	2.8
364.62567	1.9
379.12399	10.0
397.13507	46.1
415.14548	8.9
416.87497	2.1
603.26807	16.0
621.27325	14.5
622.27795	2.3
657.34564	3.1
675.35785	2.5
881.48615	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	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	1.9
70.77760	3.3
70.78127	1.7
71.01389	20.7
71.87132	1.9
72.99326	2.4
73.02933	3.5
75.00858	1.8
78.95914	1.7
81.03463	2.2
81.21935	1.5
82.43229	1.3
83.01398	2.7
83.07494	1.7
85.02956	6.8
87.00877	5.9
89.02449	11.9
91.69318	1.4
92.90461	1.8
95.01418	1.9
95.05014	1.9
97.02960	13.9
97.06590	2.9
99.00882	22.6
101.01855	1.5
101.02444	9.7
102.76607	1.5
109.06564	6.0
110.03741	2.7
111.04526	1.7
113.02439	6.7
116.92867	3.5
119.03509	2.7
123.08181	2.5
125.02478	10.0
125.09724	7.5
127.03909	1.9
135.45175	1.5
136.05284	1.6
142.02733	3.7
143.03452	2.1
149.49609	1.5
161.04552	1.9
163.11282	15.5
179.05597	3.1
181.12357	24.7
199.13350	2.4
207.10257	71.3
208.10564	3.7
215.60822	1.6
221.06570	2.2
225.11311	100.0
226.11670	5.7
235.08119	2.7
243.12358	38.0
258.99689	1.7
263.07657	2.8
266.17746	1.7
277.21716	53.0
278.21899	4.8
397.13556	10.4
535.38757	1.7
571.34753	1.7
587.22522	1.7
605.24518	34.4
606.24713	4.0
623.25482	28.0
624.26215	5.4
883.46942	96.8
884.31152	2.1
884.47400	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	939.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	5.9
70.20805	3.9
70.21198	3.2
71.01383	58.1
72.99306	3.1
73.02953	18.6
76.08646	1.4
81.03450	2.0
83.01388	19.2
85.02952	32.9
87.00861	5.5
89.02435	5.9
90.74323	1.4
95.01384	7.7
97.02974	7.0
99.00882	10.8
101.01774	2.5
101.02439	38.7
111.00851	4.7
111.65954	1.4
112.01664	2.3
113.02453	30.5
121.02986	1.5
125.02435	14.2
137.02411	2.9
143.03545	8.7
161.02388	1.7
161.04556	6.1
203.05586	1.6
287.07706	2.2
359.47504	1.7
404.29114	1.5
468.84286	1.7
518.00836	1.7
539.37671	2.6
594.34607	1.6
605.40662	4.3
606.40106	1.7
647.41724	4.3
689.41498	2.0
731.43262	2.7
738.62836	1.7
743.43335	1.5
749.44727	37.1
750.45074	9.0
767.45642	20.9
768.46539	4.2
791.45734	24.6
791.59314	2.7
792.46686	7.8
809.46942	100.0
810.47192	27.0
851.47992	16.4
852.48163	2.5
968.07697	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	939.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54223	18.4
71.01381	79.1
72.99308	4.6
73.02943	27.4
75.00883	3.5
83.01389	23.2
85.02953	50.8
87.00904	6.3
89.02432	6.5
95.01393	8.6
97.02955	7.5
99.00893	12.0
101.02441	65.8
111.00871	4.1
112.01668	4.2
113.02444	38.7
119.03497	2.6
124.01685	3.1
125.02429	12.3
129.09872	2.7
133.03029	2.9
135.04536	4.7
143.03522	10.0
159.02913	2.3
161.02461	7.1
161.04549	10.0
179.03394	2.3
206.16605	2.6
219.60168	2.4
376.90082	2.8
587.39392	4.8
605.40594	5.7
685.16040	2.7
701.42969	5.6
731.43774	72.2
732.43451	15.3
749.44824	100.0
750.45068	21.2
767.45819	18.0
768.46381	5.2
791.45911	78.5
792.46277	20.5
809.46930	70.3
810.47040	20.4
851.47992	24.1
852.48553	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	933.6953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77767	3.5
73.33273	0.7
94.54916	0.7
103.49036	0.7
156.44585	0.8
190.52104	0.8
407.33173	1.7
455.35303	100.0
456.35605	13.5
738.55304	0.8
933.69519	87.6
934.69885	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	937.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	4.8
71.01386	69.0
71.64149	3.0
72.99318	4.8
73.02950	19.0
81.03472	4.6
83.01399	15.8
85.02957	39.9
87.00874	3.5
89.02427	7.4
95.01392	7.1
97.02961	8.0
99.00871	11.0
101.02451	41.5
111.00875	3.1
113.02464	38.5
116.92843	3.6
119.03565	3.2
125.02448	15.4
133.02882	2.7
135.04523	4.6
140.80511	2.9
143.03490	10.2
155.03560	3.0
158.03975	2.6
159.02985	3.3
161.02463	4.1
161.04535	11.7
206.17299	2.9
239.87663	2.8
240.11789	3.1
242.60014	2.6
503.50018	2.8
600.84631	3.4
603.43048	5.5
687.44592	3.1
747.46814	19.5
748.47070	5.4
752.17786	2.8
765.48090	9.8
789.47949	16.4
807.49091	100.0
808.49243	22.6
849.49976	93.4
850.50598	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	939.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99814	1.4
69.03458	4.5
71.01383	58.2
72.99301	4.5
73.02950	20.2
75.00880	1.7
81.03450	2.6
83.01389	17.5
85.02953	39.6
87.00866	6.4
88.88073	1.4
89.02470	9.1
95.01401	8.4
97.02972	7.9
98.19794	2.0
99.00883	12.1
101.02451	36.5
106.83554	1.3
109.02947	2.1
111.00893	3.9
112.01694	2.4
113.02458	37.2
119.03526	2.0
121.02998	2.0
125.02447	14.0
127.03970	1.9
133.02979	1.6
135.04552	2.3
137.02452	2.7
143.03514	5.6
159.03006	3.1
161.02429	4.4
161.04510	9.2
163.03824	1.3
221.06438	1.5
287.07822	1.7
510.64230	1.5
516.55902	1.3
526.33069	1.6
539.37225	4.0
587.39825	1.7
605.40784	8.0
606.40692	2.0
647.41528	5.7
648.41693	1.7
731.44263	6.8
732.45490	1.9
749.44745	50.2
750.44684	11.9
767.45740	38.7
768.45703	8.1
790.77228	1.3
791.45868	31.5
792.46130	8.7
809.46979	100.0
810.47028	27.3
851.47772	19.1
852.48077	5.5
941.91626	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	931.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59805	0.7
71.01390	3.9
71.64703	1.2
72.55946	0.7
73.59702	0.7
83.01398	2.2
85.02925	0.7
87.00883	0.8
87.87125	0.7
89.02438	2.9
93.03483	0.9
101.02443	2.1
108.02167	1.1
109.02202	1.2
109.02955	22.2
113.02441	2.3
117.03461	25.3
118.03820	1.1
119.05029	27.2
119.05899	1.5
120.05305	1.0
125.02522	0.7
128.32526	0.7
133.02998	1.4
135.04523	1.8
145.02953	100.0
146.03261	4.2
147.04425	1.1
159.04486	8.0
161.02434	1.3
161.05954	0.8
163.04010	44.9
164.04370	1.5
175.04022	1.3
177.05708	0.9
179.05638	0.9
187.04082	0.9
203.03479	6.4
205.05017	1.0
254.05829	1.3
269.08163	10.0
311.05640	1.0
313.07257	5.9
357.06128	21.5
358.06668	1.5
367.10406	1.5
469.13522	1.6
479.11490	0.8
487.14450	10.0
488.14688	1.2
529.15594	77.5
530.15839	9.9
710.34839	0.8
836.94965	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	933.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.5
67.01891	0.2
70.14597	0.2
71.01379	2.6
71.62945	0.2
72.99298	0.4
73.02948	0.5
75.00870	0.6
83.01401	0.5
85.02952	2.6
87.00886	0.9
89.02440	0.5
93.03465	0.4
95.01389	0.8
99.00887	1.3
101.02441	0.6
103.00339	0.3
104.59183	0.2
107.01399	1.3
108.02211	0.3
109.02962	1.1
113.02446	2.2
115.00375	0.3
121.02989	0.5
129.01929	0.3
133.02954	4.3
135.04552	0.5
137.02438	0.3
147.04510	0.3
149.02472	1.4
151.00365	3.1
152.01144	0.3
153.01938	0.4
153.09219	0.8
161.02437	0.5
161.04561	0.3
168.49731	0.2
171.04471	0.3
175.02589	0.3
175.04007	1.7
177.01907	0.4
185.06013	0.5
197.06146	0.3
199.03958	1.5
201.01920	0.5
205.12410	0.2
212.04773	0.2
213.05522	0.5
215.03574	0.2
217.04991	1.1
223.04024	0.2
223.13370	0.2
229.04984	0.3
241.05060	0.7
243.03050	0.5
257.04666	0.5
267.02979	0.2
284.03284	0.4
285.04041	100.0
286.04395	7.0
297.04260	0.3
327.05072	0.8
357.06177	0.9
369.06244	0.2
378.58151	0.2
381.06039	0.4
427.19913	0.4
435.09427	0.9
459.18909	0.4
461.07257	51.4
462.07596	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	927.672
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96638	0.7
71.76477	0.3
88.98788	1.0
89.02473	0.3
116.92866	0.6
135.04509	0.4
161.02402	0.6
179.18381	0.2
198.50195	0.3
338.87820	0.3
389.27295	0.3
469.33209	100.0
470.33554	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	929.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62785	0.5
72.99310	20.5
94.06620	0.5
97.06594	2.1
106.06636	4.3
109.02944	0.4
111.81497	0.3
116.92855	2.2
121.02959	1.8
122.06110	3.0
123.04533	1.0
130.02997	0.5
131.03748	1.5
132.04578	2.6
133.02959	7.6
133.82466	0.4
134.06123	44.2
135.04556	2.1
135.06442	1.6
137.02420	0.8
144.04539	0.5
147.04417	0.5
148.04027	0.6
151.04001	0.5
151.73109	0.4
152.07173	3.0
158.02457	3.2
158.06049	0.6
159.08110	0.5
161.02443	25.2
162.02780	1.5
162.05588	1.6
166.84218	0.4
172.03951	0.4
172.05278	0.5
173.06067	0.9
175.07683	0.9
176.03464	0.4
178.02650	1.9
179.03471	1.2
187.07654	7.1
190.05048	13.9
191.05470	0.7
191.10887	0.4
194.08171	0.4
202.04846	1.9
203.10825	0.4
205.08676	1.2
213.09207	1.6
216.06595	1.6
219.10239	6.0
221.11092	0.4
222.07715	14.5
223.08128	1.1
231.10252	4.5
234.07706	11.3
235.08490	1.5
248.09277	1.5
249.10248	2.0
250.11023	0.4
251.11821	0.6
263.08206	0.8
275.09238	4.0
277.09845	2.1
279.08130	0.5
279.11420	1.3
293.10309	30.3
294.10675	2.2
295.10928	0.7
305.09372	2.2
307.06921	0.4
309.12469	6.5
310.12912	0.8
319.07990	0.4
322.09598	0.7
323.10269	0.7
336.11313	0.5
337.11923	13.1
338.12308	1.2
341.14944	2.8
369.14545	60.5
370.14880	5.7
387.15616	2.8
393.30707	0.4
429.16663	100.0
430.17056	10.7
455.13470	22.7
456.13953	3.2
553.81390	0.4
872.59235	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	924.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45851	58.0
71.66256	99.6
116.92847	75.4
143.44589	64.4
233.01591	67.3
293.21005	100.0
371.15918	65.9
401.08600	70.4
634.82117	73.1
725.86011	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15157	82.2
70.15545	95.2
73.78013	39.9
80.42762	42.1
98.20557	51.3
116.92873	63.1
132.63530	53.3
207.47874	44.6
453.33432	58.8
471.34766	100.0
697.19293	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71729	0.9
70.90781	0.9
71.01387	26.6
71.05030	5.3
72.99313	2.0
73.02940	7.8
81.03439	3.6
83.01402	5.3
83.05029	7.5
85.02940	12.3
86.00050	0.8
89.02455	2.2
92.84647	1.2
95.01388	2.4
99.00882	3.3
101.02445	18.2
113.02446	11.9
119.03516	1.3
133.02888	1.3
135.04510	3.7
143.03442	1.8
159.02927	2.5
161.02495	6.2
161.04521	7.8
162.02818	1.9
179.03511	1.3
197.04663	1.1
207.15085	1.1
221.10370	1.1
224.17584	2.8
225.16032	7.4
227.16534	1.8
229.19470	1.3
285.03979	1.1
333.23013	1.1
359.07547	6.2
360.08017	1.3
367.27017	2.2
371.20734	29.3
372.20981	4.1
374.68973	1.3
389.21832	24.2
390.22116	2.7
431.22836	100.0
432.23184	13.2
433.31744	5.7
451.32898	87.0
452.33081	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	920.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11214	13.9
71.01379	25.6
71.28001	14.3
71.62957	29.3
73.02929	15.3
94.24476	14.0
116.92834	20.9
133.02892	26.9
135.93732	17.3
161.02492	21.8
201.11325	59.6
210.68069	15.0
216.21924	15.9
236.38834	14.4
920.49133	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	921.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68126	4.0
71.01378	11.8
83.01408	2.0
83.05042	3.0
84.15694	1.5
85.02945	3.5
87.00880	3.0
89.02442	10.2
98.16756	1.6
101.02438	8.2
113.02431	4.3
113.79082	1.4
115.48441	1.5
125.02426	4.4
142.98950	1.3
143.03558	2.0
158.62897	1.3
161.04584	3.7
163.11259	2.8
165.12781	1.6
171.09946	1.3
175.02229	1.4
179.05605	7.2
209.11827	100.0
210.12137	6.1
221.06599	1.5
227.12871	25.3
235.08202	5.2
277.21732	46.6
278.22144	4.2
287.07742	2.5
305.08792	1.4
323.09833	2.7
361.79694	1.7
379.12463	13.6
397.13483	53.2
398.13925	3.4
415.14520	13.1
589.24988	5.7
607.26294	8.3
639.63892	1.5
657.35120	3.2
675.36176	3.3
696.99316	1.7
921.46320	21.9
922.46881	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	921.462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	12.3
72.99313	2.3
83.05009	1.9
85.02932	2.7
87.00887	3.2
89.02446	11.4
89.02905	1.7
97.98541	1.5
101.02456	11.2
113.02445	5.4
116.92844	3.4
119.03482	5.0
122.31898	1.6
125.02410	4.8
143.03531	2.4
161.02373	2.0
161.04559	4.8
163.11230	2.5
179.05614	6.0
209.11821	100.0
210.12144	6.6
221.06709	2.9
224.71034	1.9
227.10721	2.1
227.12897	27.4
235.08228	5.3
277.21704	56.3
278.21994	5.8
312.34988	2.0
322.26480	2.1
379.12427	15.9
397.13513	73.4
398.13901	7.6
415.14548	15.9
589.25116	4.6
607.26025	5.1
657.35358	2.9
675.35785	8.1
740.31134	2.0
825.28528	1.8
921.46289	28.3
922.46790	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	919.325
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90394	0.6
71.01373	4.0
71.62297	0.8
72.99300	1.8
73.02953	2.6
80.61353	0.6
85.02959	3.1
87.00877	6.1
89.02441	1.0
93.03435	1.2
95.01407	1.6
97.42774	0.7
99.00922	0.8
100.28498	0.6
101.02462	2.8
108.02174	27.2
109.02975	10.5
111.00903	1.6
113.02461	2.5
116.05085	4.0
116.49323	0.6
117.03465	10.9
119.05019	4.0
121.02975	0.6
129.01950	8.0
133.02963	2.7
135.04523	2.2
137.02452	11.4
145.02962	36.0
146.02379	0.9
146.03368	0.7
148.18883	0.6
149.02448	0.6
152.01157	42.8
153.01950	12.7
155.16812	0.6
158.67172	0.7
161.02429	3.5
161.04576	0.7
163.03992	3.8
173.00887	3.8
177.01926	3.0
178.02455	0.8
178.05066	1.0
179.03482	1.4
213.05452	1.3
269.04517	6.5
270.04782	1.2
273.77390	0.6
285.04007	4.0
295.06082	1.0
299.05765	0.7
307.08347	1.5
315.07214	17.4
315.10931	0.9
323.07742	2.3
445.07526	0.8
461.10913	100.0
462.11322	11.8
475.08517	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	919.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80763	6.7
71.01383	56.5
72.99316	1.5
73.02950	19.0
75.86082	1.4
76.12675	1.2
83.01382	9.1
85.02953	32.2
86.00076	2.1
87.00891	3.0
89.02436	10.9
95.01392	5.9
97.02968	2.1
98.33748	1.5
99.00892	9.7
101.02451	43.3
108.04494	1.5
113.02441	22.5
119.03497	3.1
125.02454	2.5
132.04578	3.1
134.06152	7.3
143.03467	3.1
151.14580	1.4
159.03003	7.2
161.04558	17.5
161.13237	1.3
251.11844	2.8
279.11404	6.0
289.33255	1.6
295.10886	2.3
323.10468	7.0
355.12958	8.4
355.21320	3.1
373.22314	64.4
374.22778	5.3
383.12411	3.8
415.15253	22.4
415.23346	100.0
416.15268	2.3
416.23730	10.6
458.49457	1.4
680.91534	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	919.454
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37562	1.3
68.27468	1.4
69.03475	1.7
71.01386	50.5
72.01713	1.6
72.99323	2.1
73.02953	22.5
73.63776	1.4
75.00843	2.5
78.15223	1.4
78.88073	1.4
83.01395	10.5
85.02955	30.2
87.00874	2.4
89.02442	9.6
95.01381	3.7
97.02976	2.2
99.00867	7.0
101.01772	2.4
101.02441	46.4
113.02444	25.8
119.03513	2.2
121.01971	1.6
125.02414	2.2
129.01985	1.3
143.03485	2.6
159.02957	5.3
161.04556	20.0
187.11169	1.8
218.48570	1.5
229.34610	1.5
287.14984	1.7
301.20236	2.5
355.20972	4.3
373.22296	62.6
374.22644	6.8
415.23358	100.0
416.23737	12.5
417.21426	3.2
463.25546	8.0
607.92590	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	919.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	1.2
69.82815	2.1
71.01385	4.1
73.02948	2.3
83.01392	1.3
85.02953	1.7
89.02457	0.8
95.01403	0.4
97.02968	0.5
98.19920	0.5
99.00883	0.3
101.02448	2.6
102.81078	0.3
105.07031	0.3
107.01383	1.4
110.24742	0.3
113.02473	2.6
121.02982	0.7
133.02951	6.6
133.03857	0.6
135.04514	0.6
138.06900	1.8
139.07680	0.6
149.02432	1.5
151.00378	5.5
151.07645	2.2
152.04811	0.4
152.08435	4.0
153.09207	9.6
160.27106	0.4
161.02385	0.5
161.04518	1.0
165.09138	0.4
171.04503	0.5
175.04016	3.3
177.01848	0.5
179.03494	0.4
179.05603	0.5
190.09987	0.5
197.06073	0.5
198.03152	0.6
199.04053	2.6
201.01912	0.6
205.12314	4.1
207.50679	0.4
213.05594	0.5
217.05013	1.7
223.13333	2.3
227.03448	0.8
236.33145	0.4
241.05029	0.9
243.02992	0.6
256.03845	1.0
264.46439	0.4
267.02930	0.4
283.02570	0.9
284.03278	4.2
285.04034	98.9
286.04382	8.3
299.05615	0.6
327.05124	2.0
357.06198	0.5
367.17584	16.6
368.17960	1.2
385.18774	2.8
427.19724	14.9
427.24451	0.3
428.20053	1.4
447.09317	100.0
448.09616	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	917.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00578	1.5
69.03445	3.1
69.42706	6.3
69.43130	6.7
71.01385	100.0
72.01727	7.0
72.99316	4.1
73.02949	68.8
74.03282	7.5
75.00890	2.5
75.03356	1.9
76.47070	1.4
79.54749	1.5
83.01390	27.8
84.01740	2.6
85.02950	31.2
86.03316	2.8
87.00894	3.6
89.02442	28.7
90.02785	1.9
93.85116	1.4
95.01393	8.6
97.02982	2.7
98.19827	2.7
99.00880	6.8
101.02448	92.6
102.02784	10.1
103.02867	3.2
106.16325	1.6
106.89159	1.4
108.02195	2.5
113.02453	51.5
114.02789	5.7
115.02934	2.0
115.04035	2.4
117.03453	1.9
119.03520	12.2
119.05055	3.7
121.06567	2.2
123.04527	10.3
125.02437	8.6
131.03499	9.5
132.03831	2.3
135.04451	3.4
137.09717	14.1
138.10042	4.6
143.03499	10.3
144.03851	2.1
145.02985	11.9
146.87238	1.5
147.03047	2.0
148.05313	2.2
149.04546	20.5
150.04861	2.7
153.05559	6.5
155.03514	2.4
159.02994	4.0
159.57050	1.5
161.04564	34.2
162.04890	6.9
163.05142	2.1
187.11330	7.4
188.11626	6.1
189.13007	2.1
190.13225	1.8
191.05699	2.5
203.05612	3.2
221.06615	11.8
222.07076	3.2
223.07071	1.6
233.06712	3.3
293.08752	11.4
307.08240	9.2
355.21259	1.9
373.22305	36.4
374.22696	7.5
375.22760	3.5
399.12888	3.8
412.20612	1.7
415.23370	39.6
416.23822	9.0
417.24109	2.1
461.14618	11.1
461.24017	2.3
462.14856	2.4
463.25192	3.4
626.88391	1.8
679.29706	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	917.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19873	0.6
103.36858	0.2
105.03461	0.4
108.65232	0.2
109.02975	1.3
117.03451	0.2
118.27193	0.1
121.02966	0.2
122.03736	0.2
123.04523	2.9
132.02139	0.8
133.02959	25.6
134.03308	0.9
135.04535	0.4
150.03233	0.7
151.04010	4.7
152.04335	0.1
159.04510	0.7
161.02448	100.0
162.02786	4.5
163.04002	0.3
173.94897	0.1
203.03630	0.2
229.97414	0.2
269.08203	2.0
270.08820	0.2
310.80807	0.2
313.07175	37.0
314.07544	3.0
397.25284	0.2
403.26645	0.2
405.28137	0.2
417.27939	0.4
421.27362	0.6
435.28931	0.5
437.30627	3.9
438.30948	0.7
439.28241	0.4
451.28467	0.5
455.31454	1.2
456.32114	0.2
469.29517	1.7
470.29877	0.2
499.30667	7.4
500.30902	1.3
517.31628	2.6
518.32086	0.4
559.32880	0.3
787.92560	0.2
790.45343	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	917.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00578	1.5
69.03445	3.1
69.42706	6.3
69.43130	6.7
71.01385	100.0
72.01727	7.0
72.99316	4.1
73.02949	68.8
74.03282	7.5
75.00890	2.5
75.03356	1.9
76.47070	1.4
79.54749	1.5
83.01390	27.8
84.01740	2.6
85.02950	31.2
86.03316	2.8
87.00894	3.6
89.02442	28.7
90.02785	1.9
93.85116	1.4
95.01393	8.6
97.02982	2.7
98.19827	2.7
99.00880	6.8
101.02448	92.6
102.02784	10.1
103.02867	3.2
106.16325	1.6
106.89159	1.4
108.02195	2.5
113.02453	51.5
114.02789	5.7
115.02934	2.0
115.04035	2.4
117.03453	1.9
119.03520	12.2
119.05055	3.7
121.06567	2.2
123.04527	10.3
125.02437	8.6
131.03499	9.5
132.03831	2.3
135.04451	3.4
137.09717	14.1
138.10042	4.6
143.03499	10.3
144.03851	2.1
145.02985	11.9
146.87238	1.5
147.03047	2.0
148.05313	2.2
149.04546	20.5
150.04861	2.7
153.05559	6.5
155.03514	2.4
159.02994	4.0
159.57050	1.5
161.04564	34.2
162.04890	6.9
163.05142	2.1
187.11330	7.4
188.11626	6.1
189.13007	2.1
190.13225	1.8
191.05699	2.5
203.05612	3.2
221.06615	11.8
222.07076	3.2
223.07071	1.6
233.06712	3.3
293.08752	11.4
307.08240	9.2
355.21259	1.9
373.22305	36.4
374.22696	7.5
375.22760	3.5
399.12888	3.8
412.20612	1.7
415.23370	39.6
416.23822	9.0
417.24109	2.1
461.14618	11.1
461.24017	2.3
462.14856	2.4
463.25192	3.4
626.88391	1.8
679.29706	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	915.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	4.2
71.01385	82.8
72.99305	2.2
73.02950	83.6
74.03253	2.2
75.00874	1.7
81.03452	1.4
83.01385	28.0
85.02955	20.8
87.00880	3.8
89.02449	22.9
95.01398	6.1
97.02935	2.8
98.19827	2.3
99.00875	3.2
101.02448	100.0
102.02750	1.5
103.30379	1.0
113.02454	53.9
119.03512	18.1
121.06610	2.1
123.59144	1.0
125.02435	4.0
131.03497	9.6
137.09723	21.1
143.03531	11.8
149.04558	23.7
154.75151	1.1
155.03481	3.0
159.02876	1.2
161.04558	48.2
162.04872	3.2
179.05562	2.9
187.11244	3.8
188.11543	2.2
189.12820	4.3
203.05638	6.9
207.13847	1.2
221.06689	14.0
229.29660	1.4
355.21124	1.0
373.22333	14.9
374.22607	1.1
397.27695	1.3
411.20218	8.4
415.23419	19.5
416.23557	2.2
617.59137	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	915.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28928	8.7
71.00986	1.7
71.01383	32.7
72.99303	1.6
73.02950	10.0
75.00884	1.0
83.01389	5.9
85.02951	16.2
87.00883	2.6
87.04460	0.9
89.02468	7.0
95.01394	3.1
97.02940	1.2
98.19888	1.7
99.00317	0.8
99.00887	5.0
101.02442	26.6
107.71043	0.9
113.02445	16.3
119.03522	2.2
125.02474	1.4
129.01869	0.9
143.03412	1.6
149.09633	0.9
159.02979	3.7
161.04550	9.9
209.15463	8.9
269.31461	1.0
290.61301	0.9
353.19699	33.6
354.20050	2.9
371.20712	39.4
372.20874	4.5
413.21811	100.0
414.22098	11.6
432.93988	1.0
516.56366	1.0
556.64038	1.0
861.70612	1.2
927.44324	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	915.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75320	1.5
71.01383	8.4
71.64219	1.5
73.02941	7.3
83.01373	2.1
85.02957	2.3
88.88360	1.1
93.18672	1.3
94.79655	1.3
95.01402	1.4
101.02447	10.1
104.05062	2.1
106.06594	3.3
107.61616	1.3
108.04562	1.6
111.75364	1.3
113.02427	4.7
130.29927	1.4
132.04556	14.9
134.06119	28.1
135.04514	1.9
137.02417	1.6
137.09734	2.2
144.04541	1.4
148.04039	3.0
149.04558	1.6
152.07260	1.5
158.06099	3.7
160.04037	4.0
161.02419	2.9
161.04506	5.0
176.03529	4.9
188.03506	5.3
205.00040	1.5
208.06081	4.1
220.05992	1.2
221.06772	2.2
251.11830	9.8
253.09776	3.0
255.11421	3.7
267.11295	3.3
279.08307	2.2
279.11383	21.6
280.11758	1.9
295.10825	6.9
323.10422	25.5
324.10876	1.8
337.12070	1.6
341.11560	1.9
353.92773	1.6
355.13004	52.5
356.13257	3.7
383.12399	9.9
411.20261	1.5
415.15121	100.0
416.15598	11.6
429.05396	1.4
788.10016	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	913.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	5.2
71.01382	24.1
72.99322	2.6
73.02949	4.0
76.86574	1.0
79.38323	0.9
81.03454	2.1
83.01383	2.8
83.05048	1.5
85.02947	5.3
87.00883	6.9
89.02442	19.3
91.90097	1.0
95.01380	2.4
97.02949	4.3
97.06586	1.5
101.02448	18.7
109.06628	1.9
111.08169	7.7
113.02450	10.4
119.03479	4.3
125.02475	7.2
131.03465	1.4
137.09572	1.5
143.03490	3.5
160.96404	1.1
161.02412	2.7
161.04567	3.8
165.12823	3.4
167.10768	5.0
169.01614	1.0
169.12332	4.0
171.10286	3.4
177.12860	1.8
179.05647	6.0
179.10829	2.0
179.14365	3.8
181.12221	2.1
195.13873	10.6
197.11823	43.7
198.12204	2.5
199.13414	1.7
205.12346	11.0
211.13390	4.7
221.06702	3.2
221.11691	2.1
223.13380	85.1
224.13708	4.0
227.12901	1.9
235.08319	6.3
239.12953	1.6
247.20648	2.2
251.60547	1.0
253.09265	1.5
263.20059	1.3
273.18497	1.4
277.21640	1.3
287.07761	1.8
289.17926	1.4
291.19666	26.2
292.19876	2.9
305.08710	1.3
309.20706	100.0
310.21121	8.6
323.09854	1.7
379.12469	4.4
397.13507	47.2
398.13794	3.1
405.92264	1.2
415.14584	19.4
515.34064	1.4
603.26550	3.8
621.27484	9.7
622.28088	2.2
689.33923	2.8
707.34857	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	911.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55747	0.7
69.03439	3.1
71.01383	73.4
72.01716	1.2
72.99303	3.3
73.02947	82.1
74.03268	1.0
75.00868	1.8
81.03475	1.2
83.01388	27.7
85.02953	12.6
87.00882	2.9
89.02444	21.2
95.01400	4.8
97.02947	1.9
99.00893	1.5
101.02445	100.0
102.02797	1.9
111.00874	0.7
113.02456	44.4
114.02798	0.8
117.43568	0.7
119.03500	16.2
121.06612	2.4
125.02423	4.1
131.03500	11.3
137.09723	23.5
137.10774	1.2
138.10049	0.8
143.03503	12.8
145.02965	0.8
147.03000	1.1
149.04552	24.4
149.24307	0.6
155.03505	3.8
161.02417	1.7
161.04559	45.3
162.04893	1.4
179.05566	2.1
189.12851	7.1
203.05634	8.4
207.13895	1.6
221.06638	15.7
221.08701	1.1
262.67999	0.6
272.05081	0.7
351.18063	0.7
369.19080	1.2
411.20273	4.4
867.16919	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	913.342
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	1.5
72.99296	0.7
80.05054	0.7
85.83558	0.6
85.95499	0.5
87.04542	0.6
98.19820	1.2
101.02471	0.8
106.06613	1.8
116.05076	3.2
120.08181	1.9
121.07745	1.1
122.06133	4.2
129.05856	0.7
130.06590	2.2
131.06133	1.8
132.04517	1.2
133.02913	1.4
133.07713	8.6
134.06123	5.5
135.04532	2.2
137.02432	6.2
147.09279	3.4
149.02457	0.8
151.08778	1.3
156.06932	1.0
157.07700	7.1
160.04018	0.7
160.06364	2.0
161.02460	4.7
161.04782	0.7
174.05507	0.7
179.03487	1.9
190.05081	0.8
213.10323	8.8
223.08727	0.8
225.10460	0.9
226.11108	1.4
239.11903	6.7
241.13420	5.4
242.30060	0.6
251.11964	1.6
267.11218	1.4
276.15054	2.4
277.09723	0.7
279.11343	0.8
285.12445	12.6
285.15570	0.7
286.12805	1.1
291.11157	0.7
293.12988	1.2
306.12863	0.6
311.05597	1.1
320.14078	0.7
328.10928	0.9
340.14502	1.4
354.12534	1.5
356.13977	1.8
357.14444	0.9
358.15683	2.0
368.13892	1.0
369.14624	1.4
370.15686	1.0
381.10913	1.0
383.12610	0.9
384.13113	1.4
384.17465	1.3
396.13446	1.7
397.14151	1.1
398.15057	3.6
400.16660	2.6
410.15106	1.6
411.15524	1.1
412.16812	3.3
488.21500	0.8
497.21484	1.1
503.24023	0.7
515.20496	0.8
518.25635	0.7
529.22357	1.4
531.23645	1.2
575.22845	2.6
635.25409	2.7
689.32605	0.7
707.33160	1.4
733.31329	2.2
749.34357	2.1
751.32727	1.2
752.33435	0.7
775.32861	1.3
793.33551	100.0
794.33875	31.2
825.36084	7.2
826.35999	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	911.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	0.3
69.03450	0.9
69.28750	2.1
69.29156	0.7
71.01388	18.7
72.01720	0.2
72.99311	0.6
73.02951	24.5
75.00880	0.5
77.62514	0.3
81.03472	0.4
83.00894	0.4
83.01392	8.0
85.02962	1.8
87.00881	0.4
89.02444	5.8
93.55661	0.3
95.01394	0.9
97.02943	0.9
99.00876	0.9
99.04510	0.3
101.02448	21.8
102.02796	0.6
105.07113	1.9
113.02455	7.8
119.03515	2.7
121.06576	0.9
125.02467	2.0
131.03522	2.5
133.11104	0.2
138.63251	0.2
143.03510	2.2
145.10194	1.5
148.05310	0.9
149.04558	5.5
149.96152	0.2
152.71759	0.3
155.03513	0.8
157.06570	0.5
161.02516	0.4
161.04570	9.3
162.04909	0.3
169.10257	0.5
171.08170	7.7
171.67616	0.2
172.08481	0.4
177.25024	0.3
179.03511	0.5
185.09628	0.3
187.11285	100.0
188.11636	5.9
203.05641	1.3
221.06667	3.1
221.77196	0.2
233.06694	1.1
234.20468	0.3
284.22769	0.3
286.95969	0.3
293.08804	3.5
294.09497	0.4
295.88226	0.3
374.17770	0.2
457.99078	0.3
469.38995	0.3
661.70398	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	911.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	4.8
69.03461	10.1
71.01384	48.4
71.63295	5.0
72.99288	8.7
73.02969	19.2
75.00873	27.5
83.01387	15.6
83.05008	6.5
85.02953	36.8
86.00106	29.6
87.00877	94.6
87.04515	24.8
88.01211	5.8
89.02448	18.2
93.03464	25.5
95.01382	14.6
97.02951	6.7
99.00887	33.2
99.01521	4.2
101.02444	44.3
106.21103	3.6
108.02174	20.4
109.02939	9.0
111.00901	19.2
111.04536	19.2
113.01683	5.3
113.02454	81.0
114.02772	4.3
117.01952	4.9
119.03474	5.1
121.06615	5.6
122.03744	4.6
122.74101	3.0
123.04519	4.4
125.02448	3.8
129.01949	5.6
130.40640	3.4
131.03526	5.3
133.02922	3.9
134.33348	3.1
135.04504	11.5
137.02435	45.4
137.09723	100.0
138.02769	3.5
141.01961	37.1
143.03491	3.8
152.01147	29.1
153.01872	16.1
159.02998	34.7
161.02370	15.3
161.04527	7.3
163.11375	5.4
173.04512	4.5
179.03481	4.5
179.05629	4.4
183.03149	3.7
187.11304	4.3
189.12866	22.6
201.04045	14.2
203.05705	3.9
203.10745	3.3
205.12253	16.2
207.13899	40.9
219.05127	17.3
220.05440	4.0
224.31831	3.1
234.08170	3.0
249.14874	15.2
265.14438	25.3
267.15967	54.3
268.16284	4.5
277.14435	8.4
297.06229	5.6
315.07263	12.1
371.20746	11.8
413.21820	50.0
414.22058	6.1
429.16330	3.6
431.17368	6.7
435.09344	74.1
436.09555	9.6
501.32288	4.7
770.33252	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	907.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93037	1.4
70.96331	1.6
71.01387	15.0
72.99306	3.3
73.02946	2.9
75.00854	1.7
78.95948	1.8
83.01398	4.1
85.02950	10.4
89.02393	1.7
93.03446	3.1
93.24376	1.4
99.00895	2.2
101.02454	8.7
105.29133	1.5
111.00875	1.7
113.02460	10.4
123.04527	2.3
125.02486	2.3
125.14657	1.7
133.02966	23.6
134.06085	2.8
135.04494	6.2
137.02426	5.7
143.03551	2.7
148.87230	1.8
149.02472	1.9
150.03253	1.8
161.02440	70.9
161.04608	4.1
162.02779	6.2
163.78508	1.6
179.03503	3.1
184.65294	1.5
198.12093	1.3
299.25854	3.2
313.07199	11.4
315.89655	1.6
345.30148	7.8
366.16690	1.8
399.81967	1.5
433.95865	1.8
489.34329	100.0
490.34750	13.4
491.81241	1.7
507.35364	26.8
508.35715	3.3
520.28229	1.9
549.20020	2.0
549.36493	25.7
550.36578	4.8
616.08264	1.6
831.28815	3.8
857.50403	1.9
860.82056	1.8
863.31714	7.4
864.31989	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	907.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35206	6.0
69.35619	1.2
71.01388	4.4
72.99301	1.3
80.05060	2.7
85.02950	1.3
89.02432	2.4
96.40319	0.9
101.02475	1.4
104.05045	0.9
106.06618	5.8
108.04576	1.1
108.30974	1.0
109.02930	1.0
113.02425	1.3
121.05350	1.9
121.26984	0.9
122.06129	11.1
130.06581	0.8
133.02957	1.5
134.06120	27.7
135.04507	4.6
135.06458	1.5
136.07660	1.3
138.97424	0.9
146.06020	1.3
149.70671	0.9
152.07184	3.3
153.01923	0.9
159.75443	0.9
160.04059	1.0
160.06407	2.7
161.02458	6.3
161.04755	1.2
163.90274	0.9
174.05562	1.9
179.03496	2.0
180.06691	0.9
190.05064	0.9
213.10335	11.5
214.10703	1.1
223.08820	1.6
225.10324	1.6
226.11128	1.4
227.11891	2.4
235.08792	1.2
237.10303	1.2
239.11920	11.2
241.13475	7.5
249.10248	2.3
251.12053	1.8
263.08237	2.1
265.09805	1.6
266.13074	1.0
267.06656	1.2
267.11353	2.1
276.09064	1.1
277.09912	5.8
278.10574	5.0
279.11215	2.8
285.03860	1.6
285.12424	29.8
286.12823	2.3
289.09799	1.2
291.11386	1.8
293.09479	1.5
293.12891	3.8
295.10880	3.9
296.11465	1.0
305.09445	5.0
307.10812	3.1
316.10980	1.0
321.08679	0.9
337.11853	1.7
341.12564	1.3
342.12387	1.1
343.13083	0.9
357.15106	2.0
358.15494	7.9
359.15985	1.2
365.11438	2.9
370.11945	2.0
370.15750	1.3
384.13446	2.9
385.14142	1.9
396.13409	1.3
397.13876	1.9
398.14713	2.7
399.15536	1.2
400.16574	10.4
401.17230	1.0
412.16843	4.5
425.17294	1.1
479.24271	1.1
505.22479	2.9
519.24231	1.4
546.19287	4.7
547.23907	4.9
565.24481	2.8
571.02478	1.3
578.21313	4.7
591.22339	2.2
607.25568	21.2
608.26062	3.2
623.25732	1.5
633.22913	1.0
639.28619	2.3
651.24609	58.6
652.25037	10.8
683.27197	100.0
684.27478	20.2
711.26910	1.3
734.85187	1.2
743.29468	1.3
771.28278	1.5
831.30652	5.7
832.30267	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	907.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	4.3
71.39801	1.7
72.99326	1.2
80.05074	1.9
80.65251	0.8
83.57263	0.9
85.02957	1.6
89.02467	2.3
94.06642	1.0
96.95998	2.2
101.02484	1.5
104.05109	1.4
106.06620	4.4
107.03754	1.0
113.02415	1.5
114.79218	0.9
122.06126	9.4
130.06523	0.9
133.02965	2.5
134.06120	27.9
135.04510	3.0
136.07646	1.1
137.02449	1.2
146.06122	1.2
148.05225	1.0
150.06909	1.5
152.07170	3.5
160.04054	1.9
160.06425	2.5
161.02438	9.3
161.04678	1.3
163.07671	1.1
174.05647	2.1
179.03488	1.6
179.10757	1.4
181.48874	0.8
188.07137	1.2
194.08101	1.2
211.08855	1.2
213.10347	12.9
225.10370	1.4
225.64862	1.0
226.11082	1.6
227.11914	2.2
227.55183	1.0
239.11899	11.0
241.13519	7.0
249.10318	2.1
251.11882	2.6
263.08261	2.7
264.08920	1.2
265.09772	1.5
267.11343	2.0
277.09900	5.7
277.39719	1.0
278.10660	3.5
279.08179	0.9
279.11438	1.9
281.09601	1.0
285.12454	29.6
286.12750	2.7
290.10492	1.1
291.11481	1.2
293.09607	1.7
293.12952	3.6
295.10843	5.2
305.09354	3.4
307.10867	2.8
313.07108	1.1
337.11954	1.9
342.12717	1.5
354.12943	1.4
356.14072	1.7
357.15005	2.0
358.15781	8.7
359.16156	1.4
365.11398	0.9
367.13223	1.3
370.11554	1.2
370.15652	1.3
378.04315	1.0
382.15686	1.2
383.13025	1.2
384.13498	2.5
385.13922	2.2
397.14136	2.1
398.14899	1.4
400.16589	10.7
401.16797	1.2
412.16791	5.2
491.20895	1.5
505.22592	2.1
546.18726	6.5
547.23578	3.2
565.24762	3.3
578.21448	9.5
591.22729	3.4
607.25562	22.3
608.26056	4.1
623.25641	1.2
639.28632	2.6
651.24554	65.0
652.25012	12.6
658.42688	1.4
683.27222	100.0
684.27460	21.0
701.28253	1.8
831.30945	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	907.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	1.4
71.01387	18.2
71.21597	1.7
72.99316	4.1
73.02954	4.0
75.00884	7.0
83.01367	2.0
85.02956	34.1
85.99432	1.0
86.03296	1.0
87.00882	5.9
89.02438	4.5
93.03471	1.5
95.01387	11.1
99.00885	12.3
101.02437	4.3
103.00362	6.7
107.01368	1.9
108.02174	1.7
109.02959	3.5
111.00913	1.2
113.02454	65.8
114.02780	2.0
115.00379	2.9
117.01963	2.3
117.03480	2.0
119.05016	2.2
123.04544	2.2
129.01923	2.2
133.02937	3.8
134.03726	1.6
135.04521	10.9
137.02419	2.1
144.36745	1.0
145.02962	4.1
151.00366	2.2
152.01143	2.4
157.01431	1.2
161.02444	12.8
163.00429	1.5
163.04005	1.9
167.03522	2.2
175.00977	1.5
175.02493	29.6
177.01950	2.3
179.03506	6.6
195.06665	1.6
197.04539	2.2
210.06558	1.0
227.03487	1.8
229.01457	3.4
256.03735	3.9
267.06424	1.2
268.03775	17.2
269.04495	15.7
269.07776	1.6
270.04987	1.1
284.03256	100.0
285.03696	9.6
295.05917	1.6
299.05591	83.8
300.05917	8.3
307.08276	2.2
321.03738	1.1
335.22330	1.2
341.06390	1.5
359.07819	3.7
387.16644	1.5
431.09763	15.1
431.18539	1.1
432.10034	2.4
445.07840	2.2
475.08765	72.6
476.09189	8.7
480.32495	1.1
497.27655	2.7
547.17682	1.3
649.43500	1.4
709.21985	1.9
803.35797	1.4
859.10553	1.4
859.26556	1.1
907.27814	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	907.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	6.5
72.99308	1.2
73.02950	3.2
81.03463	0.5
83.01382	1.4
85.02966	3.2
85.74039	0.4
87.00903	0.5
89.02425	0.9
89.53161	0.4
93.03458	7.5
95.01389	1.3
99.00936	0.4
101.02445	4.8
108.02177	29.3
109.02969	18.2
113.02453	3.4
115.00351	0.5
119.03545	0.4
121.02951	1.3
123.00906	1.0
123.04530	0.8
123.08188	0.4
133.02946	1.9
135.00941	0.5
135.04530	1.7
136.01656	0.8
137.02444	14.1
138.06918	1.1
149.02531	0.4
151.00351	0.4
151.03966	0.5
151.07634	1.1
152.01154	43.5
152.08409	1.6
153.01947	18.9
153.09216	5.8
154.02267	0.6
159.04533	0.5
160.67920	0.4
161.02455	2.8
161.04567	1.7
163.04005	1.2
165.01918	0.7
175.03929	0.4
179.03508	1.5
191.03529	0.6
193.12309	0.8
197.04457	0.5
205.12357	2.8
208.09441	0.4
223.13403	2.1
255.03000	1.0
281.06720	5.0
283.02484	0.6
285.04031	11.3
286.04337	0.9
315.07199	6.8
367.17548	2.6
385.18481	0.8
391.10187	0.8
427.19693	6.7
428.19733	0.5
435.09299	100.0
436.09634	11.6
461.07355	4.5
521.13293	1.0
596.97546	0.5
610.27234	0.5
796.85730	0.5
878.29248	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	905.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03117	1.0
69.41770	1.9
69.42183	7.6
71.01390	10.8
72.99296	1.4
73.02945	2.6
83.01372	2.2
83.04945	1.0
85.02938	5.8
85.20370	0.9
87.00868	1.7
87.64428	1.0
97.02916	1.6
99.04543	1.5
100.02424	1.1
101.02456	4.9
108.02180	1.4
109.02928	1.5
113.02434	1.6
119.05015	1.7
125.02416	1.1
129.97176	1.0
133.02942	1.3
135.04536	3.5
135.08130	3.2
136.05336	1.2
149.06104	8.4
150.06866	100.0
151.07182	5.3
161.02417	3.7
161.09724	2.7
162.06853	21.2
163.03967	2.8
163.07663	25.7
164.08421	36.1
165.08777	1.7
176.08406	1.5
177.09207	17.2
178.09854	4.1
179.03482	2.0
179.10777	90.2
180.11101	4.7
211.91231	1.0
468.70111	1.4
477.30457	5.4
480.34433	3.2
495.36954	11.5
580.46655	1.0
624.38837	2.8
639.30310	2.1
639.41101	39.9
640.41705	6.9
642.40076	2.6
655.40436	1.0
656.41162	11.5
657.42169	61.3
658.42444	13.8
698.42151	5.4
699.43225	94.0
700.43542	17.6
785.28058	1.2
801.46356	23.9
802.46582	5.6
819.47498	10.7
820.47937	2.9
861.48560	22.0
862.48450	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	903.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	4.7
71.62926	0.7
73.02944	1.6
75.00850	1.1
83.01388	1.9
83.35388	0.6
85.02953	4.4
87.00890	1.0
89.02461	1.1
93.03458	11.1
93.82909	0.6
95.01356	1.5
99.00882	1.1
101.02441	4.8
107.01424	0.5
113.02458	6.9
114.02827	0.6
117.03454	1.3
119.05027	97.7
120.05382	4.3
121.02929	0.7
133.02972	1.2
135.04547	1.7
136.01669	1.4
137.02451	25.1
138.02798	1.3
143.03482	0.7
145.03018	0.7
147.04495	0.6
151.00397	1.1
161.02483	1.5
161.04530	0.8
163.04004	43.6
164.04364	1.7
175.02480	3.1
179.03505	1.9
187.11292	1.9
216.31236	0.6
259.22937	0.5
269.04532	23.1
270.04959	1.7
281.06662	27.0
282.07059	1.2
285.04034	16.7
286.04385	2.8
401.12485	0.8
445.11475	100.0
446.11887	12.2
447.09256	11.9
448.09811	2.1
657.14105	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	905.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	29.6
71.62808	2.4
72.99322	2.7
73.02961	10.3
77.67776	1.7
78.92318	1.4
80.22697	1.6
83.01392	5.2
85.02956	12.9
87.00854	2.2
89.02467	10.1
92.09258	1.5
93.03459	2.7
95.01385	3.8
101.02464	15.0
103.45537	1.7
108.02168	15.7
109.00432	1.9
109.02946	7.0
113.02451	13.0
121.02989	2.3
123.04572	2.2
124.01691	2.9
133.02940	3.1
134.06126	3.6
135.04530	13.6
135.08168	4.4
136.05342	4.6
137.02434	3.4
145.02943	5.0
148.05301	1.9
149.06070	8.9
150.05617	4.0
150.06863	78.2
151.07268	3.9
152.01152	8.5
153.01912	4.4
161.02444	15.9
161.73421	1.9
162.06868	19.7
163.07660	32.1
164.08426	18.7
165.09200	3.5
176.08368	2.0
176.70772	1.8
177.09183	15.6
179.03452	5.4
179.10779	68.0
180.11107	3.2
192.45409	1.8
229.09796	2.6
241.09830	2.3
257.13004	5.7
267.06647	2.2
283.10968	16.1
301.11887	6.3
311.05463	2.1
329.23294	4.0
343.95685	2.5
420.28537	2.1
421.29373	2.2
445.11377	17.9
446.11737	2.9
462.33810	2.2
463.17242	3.7
476.35495	3.3
477.36075	9.5
480.34567	3.8
495.37173	14.2
496.37439	3.8
503.33957	3.6
639.41327	38.1
640.41693	5.5
655.40662	2.6
656.41266	9.3
657.42114	63.3
658.42615	14.0
698.42450	4.9
699.43201	100.0
700.43451	21.1
785.27942	2.3
801.46576	25.7
802.47217	5.5
819.47205	15.7
820.47510	4.8
855.17505	2.1
861.48291	27.5
862.49280	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	902.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98538	9.0
66.25299	6.8
66.36523	7.2
67.77831	7.8
68.65761	7.5
69.50493	38.8
69.50916	21.5
71.01385	32.8
73.02959	11.0
74.90234	7.4
78.95893	12.0
89.02443	36.3
98.20567	12.2
101.02443	23.6
113.02461	13.3
116.92844	10.6
143.03421	10.3
160.44400	7.7
161.02431	11.5
163.11443	10.1
171.10278	42.1
177.67999	10.3
179.05551	10.6
201.11346	87.8
209.11827	100.0
225.11275	25.7
235.08195	11.9
241.90813	8.8
267.97134	7.9
276.12677	7.2
277.21674	91.1
278.22031	21.6
358.83249	7.8
379.12390	15.9
397.13608	67.3
398.13763	14.4
415.14578	17.0
419.62015	8.8
606.23926	9.4
623.93341	10.0
749.77802	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	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82957	1.5
67.99526	1.7
69.39038	4.3
69.39457	10.5
71.01381	19.4
72.99313	2.0
73.02921	3.0
80.96512	6.7
83.05014	1.9
85.02953	4.6
89.02443	12.9
94.98083	2.2
95.81445	1.6
97.02953	4.9
98.20569	3.0
99.00869	12.7
101.02460	11.9
113.02426	6.0
115.65707	1.7
119.03518	2.6
123.08064	2.2
125.02428	3.7
125.09723	4.2
136.43733	1.9
163.11337	8.2
171.10248	7.7
181.12376	10.5
199.13412	11.2
201.11440	2.2
207.10269	28.7
221.06717	2.1
225.11305	37.2
226.11687	3.3
232.90427	1.7
243.12428	9.5
253.09041	2.0
277.21725	39.5
278.22076	2.6
337.89700	1.8
397.13513	9.4
415.14322	2.0
597.10144	2.0
603.95233	1.8
605.23712	2.4
623.25836	4.1
727.26355	1.8
838.73877	2.0
883.46814	15.0
884.47278	2.6
901.47852	100.0
902.48322	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	901.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	20.2
72.99313	2.1
73.01140	2.0
73.02938	2.9
83.01406	3.0
85.02942	3.4
87.00874	3.8
89.02436	12.9
97.02946	6.3
97.06550	2.4
98.19897	4.5
99.00882	12.7
101.02432	8.2
109.06577	3.6
111.04532	2.5
113.02435	3.1
116.31333	2.4
119.03487	2.9
123.08185	2.5
125.02425	4.0
125.09721	6.5
131.03534	2.3
141.26813	2.2
148.96051	2.1
150.71857	1.9
161.04494	2.9
163.11343	12.0
171.10234	9.9
179.05637	2.0
180.37546	2.7
181.12399	14.3
199.13408	9.8
201.11349	4.8
207.10228	27.5
214.88405	2.2
225.11316	36.2
243.12262	10.3
277.21741	32.2
278.21967	4.0
295.22202	2.1
314.46927	2.4
376.98621	2.0
397.13464	11.5
415.14764	2.8
623.25458	2.9
689.05750	2.0
843.42902	2.6
883.47009	4.9
901.48016	100.0
902.48425	28.6
916.10278	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	900.496
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57310	100.0
70.57654	36.4
74.53277	32.9
80.35467	34.0
85.48484	34.9
89.65707	43.4
106.63960	39.6
116.92856	48.2
381.13852	36.4
681.50739	42.4
725.58356	40.7
774.91028	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	900.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98562	25.6
63.99236	26.0
66.79430	21.8
69.47282	83.9
69.47700	100.0
71.01389	43.9
89.02452	29.1
101.26948	26.6
116.92876	25.4
156.82741	21.4
171.10255	25.0
195.86792	25.8
277.21695	69.0
287.50302	27.5
288.59564	24.1
363.03870	23.9
397.13391	28.6
900.46265	74.4
901.46875	46.5
906.81616	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	901.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.6
72.99316	0.2
73.02943	0.4
83.01394	0.3
85.02971	0.5
88.98789	0.3
89.02473	0.2
97.06579	0.3
98.20719	0.3
101.02444	0.6
108.02150	0.3
109.02939	0.2
113.02475	0.2
121.02916	0.7
133.02969	0.4
135.04523	0.7
143.57184	0.2
144.79832	0.1
145.02988	0.2
147.04510	1.2
148.05307	100.0
149.05627	4.5
152.01125	0.3
161.02455	0.7
163.07649	93.2
164.07982	5.3
171.10262	0.5
177.01860	0.4
177.03459	0.1
179.03560	0.4
183.13907	0.3
185.12004	0.2
203.05675	0.4
209.11916	0.2
211.13365	1.7
219.30040	0.2
221.11772	0.4
229.14369	1.5
229.18121	0.2
239.12836	0.3
241.14595	0.2
253.05090	0.3
291.19742	0.5
301.47723	0.2
327.21744	15.5
328.21988	1.4
367.13892	1.6
394.34723	0.2
411.12839	0.4
429.16556	0.2
436.15088	0.2
781.01843	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	899.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	6.1
71.01379	16.0
71.05021	1.6
71.56022	1.6
71.85635	1.0
72.99304	2.0
73.02942	1.0
81.03424	1.2
82.60661	0.8
83.01385	2.5
83.04983	0.9
85.02949	3.4
87.00873	2.5
89.02429	9.2
95.01366	1.3
97.02943	2.1
97.06560	1.0
99.00877	1.2
101.02434	9.6
113.02438	3.6
119.03510	1.4
123.08163	1.3
125.02486	1.9
125.09744	2.1
131.03456	1.1
151.11266	2.9
161.02412	1.4
161.04480	1.0
161.09721	2.2
170.00041	1.0
179.10786	5.3
197.11823	36.1
198.12189	1.3
221.06589	1.8
223.09737	1.4
235.08286	1.3
240.22050	0.8
241.10782	2.6
262.74924	1.0
277.21729	34.3
278.22031	3.5
397.13458	3.6
852.98560	1.0
881.47772	1.1
899.46436	100.0
900.46826	32.9
900.62189	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	899.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	10.8
71.31400	8.9
75.00877	17.2
83.01397	4.7
89.02456	15.7
101.02495	9.2
113.02460	6.0
119.03522	5.4
161.04521	4.9
179.05569	8.7
209.11838	100.0
210.12106	5.4
227.12892	28.3
235.08167	4.8
255.23299	50.7
256.23630	6.4
287.08209	4.7
379.12451	18.0
397.13474	74.9
401.53162	4.4
405.83594	4.3
415.14725	12.5
589.25299	4.4
607.26270	10.2
635.36133	5.9
653.37274	11.8
767.81299	3.7
899.47858	42.7
900.48065	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	897.462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09952	10.5
70.22356	20.8
70.22717	16.1
78.95882	10.3
85.02934	8.5
89.02460	18.7
109.06547	18.6
112.85195	9.2
113.02481	8.4
116.56432	11.8
116.92898	14.5
121.35374	8.1
125.02498	10.2
152.99651	12.3
153.21863	11.6
178.88805	7.6
200.25572	8.1
207.10255	100.0
225.11301	36.1
255.23323	79.4
379.12439	10.2
397.13406	88.5
415.14777	18.0
449.93015	8.8
582.79462	9.1
585.46295	11.2
653.37183	11.6
861.48962	81.5
862.49042	30.7
897.46918	55.6
898.47485	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	897.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94669	0.2
68.99813	0.4
69.03429	2.6
71.01382	16.3
71.05013	0.7
72.99314	1.1
73.02955	2.4
74.79828	0.3
81.03452	0.7
83.01393	1.6
83.05021	0.6
85.02944	3.6
85.06590	0.3
87.00871	2.9
89.02444	12.0
95.01395	1.2
95.05019	0.6
97.02941	2.2
99.00873	0.8
101.02443	11.8
109.02912	0.3
109.06578	0.4
111.00880	0.3
111.04571	0.3
111.08210	0.3
113.02456	6.1
119.03487	3.2
121.40148	0.3
123.08195	0.3
125.02447	3.5
131.03487	0.5
133.05087	0.4
139.03964	0.4
141.09274	0.4
143.03485	1.9
145.05060	0.4
149.09695	0.7
149.28810	0.3
161.04543	2.5
161.13309	0.3
167.10767	2.8
177.12880	0.8
179.05626	3.9
179.10771	0.7
179.14430	3.3
195.13893	14.3
196.14363	1.0
205.12318	7.4
206.12721	0.6
211.13452	0.7
221.06664	1.8
223.13383	65.8
224.13716	5.2
225.14886	0.6
228.13599	0.7
235.08209	3.8
240.36032	0.4
253.09244	0.9
256.13147	0.9
265.21820	0.4
275.20132	4.8
285.38760	0.3
287.07730	1.2
293.21222	100.0
294.21558	10.1
305.08853	1.6
317.21353	0.5
323.09787	1.1
379.12427	2.6
397.13492	32.6
398.13806	2.5
415.14563	11.6
416.14908	1.0
499.34109	0.7
603.26495	4.1
604.26636	0.8
621.27637	8.7
622.28198	1.5
663.85327	0.3
673.34454	1.6
691.34967	2.0
692.35828	0.7
897.48663	1.2
898.50067	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	899.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85772	0.9
68.75166	0.9
68.99795	1.1
69.03447	5.2
71.01383	14.9
71.04999	1.0
71.63171	0.9
72.99297	1.5
73.02943	2.1
83.01367	1.4
85.02940	1.9
87.00863	2.0
88.98790	1.0
89.02443	8.8
95.01411	1.0
97.02950	2.5
101.02438	8.9
113.02463	4.7
115.33432	1.0
115.71269	0.9
125.02451	2.1
125.09721	1.1
135.04472	1.0
151.11226	1.4
161.04562	1.8
161.09674	3.8
179.10771	5.9
185.24208	0.9
197.11823	37.7
198.12146	1.5
202.77890	0.9
221.06700	1.5
223.09741	1.4
241.10800	2.1
277.21704	34.3
278.22073	2.0
397.13492	2.5
493.63516	1.2
842.61749	1.1
899.46454	100.0
900.46814	25.9
908.27588	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	897.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37546	3.1
69.37966	1.2
71.01386	7.4
71.05013	0.6
71.96748	0.4
72.99301	0.7
73.02946	2.2
83.01366	1.2
85.02951	3.3
87.00876	1.0
89.02446	5.5
95.01373	1.3
98.20574	1.0
99.00867	1.0
101.02445	10.5
113.02447	8.1
119.03518	5.4
123.04534	0.9
125.02435	0.6
131.03520	1.2
133.02928	1.4
135.04506	1.6
143.03491	1.8
145.02945	0.8
161.02528	3.0
161.04558	6.9
163.04033	0.5
179.03448	0.7
179.04190	0.6
179.05635	6.6
196.65062	0.5
197.04604	0.5
203.05652	1.2
221.06659	4.5
249.14978	1.0
263.07809	3.4
443.35226	1.5
475.34103	0.6
487.34308	100.0
488.34677	17.5
501.35956	1.3
529.35223	3.8
530.35803	1.0
559.37573	0.6
649.39453	1.8
691.40448	2.0
853.45917	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	897.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44041	8.1
71.01384	17.5
72.99319	2.4
73.02953	8.2
74.69415	1.2
83.01391	5.3
85.02973	6.9
87.00861	1.3
89.02453	3.1
95.01395	1.3
99.00869	1.0
101.02448	23.5
109.02956	1.1
113.02451	7.6
117.03355	0.9
119.03493	2.1
123.08952	0.9
125.02506	1.4
126.17420	1.0
131.03534	1.0
133.02927	1.6
135.04543	3.0
143.03517	2.4
145.02969	2.5
157.33385	1.0
161.02446	4.1
161.04550	5.6
179.03557	1.4
203.05682	5.6
221.06712	2.6
263.07666	1.9
267.06500	1.3
305.08820	1.1
393.38516	0.9
487.34274	100.0
488.34625	18.4
499.96115	1.0
501.35715	1.8
529.35406	6.0
605.40466	30.9
606.40680	8.2
649.39355	9.2
650.40192	2.6
691.40247	5.5
733.40344	1.1
768.19733	1.1
809.00446	1.0
853.44659	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	897.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	0.7
71.01380	8.1
71.05017	0.8
71.62988	1.0
72.99297	2.0
73.02954	5.7
74.57183	0.6
83.01373	2.3
85.02938	1.4
87.00878	0.6
89.02435	1.7
93.03470	0.7
99.00878	0.6
101.02447	15.7
113.02436	2.2
118.52864	0.5
119.03497	1.5
125.02478	0.9
133.02957	1.5
135.04543	3.3
137.02470	1.1
143.03458	0.7
144.55768	0.6
161.02460	4.8
161.04549	2.0
169.89639	0.5
174.96271	0.6
179.03508	1.5
197.04623	0.6
203.05618	3.7
206.62866	0.6
221.06516	0.7
263.07654	0.9
293.10315	0.8
294.61514	0.7
425.34369	1.0
427.31949	3.0
428.32501	0.9
469.33249	10.4
470.33597	1.0
483.35342	0.8
487.34280	100.0
488.34665	17.8
501.35706	1.7
513.32233	0.9
529.35376	5.5
589.37164	0.7
691.39978	0.7
733.41467	1.4
796.92334	0.7
853.46393	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	897.449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56841	4.5
69.57245	1.9
71.01389	8.1
72.99324	2.0
73.02956	5.4
77.75674	0.8
83.01391	3.1
84.50391	0.9
85.02955	3.5
88.12022	0.8
89.02439	3.0
94.99662	0.8
96.96018	1.4
97.52069	0.7
101.02441	16.2
113.02425	7.3
119.03493	1.5
125.02448	1.5
133.02959	2.7
134.03787	0.9
135.04547	7.7
137.02467	1.9
143.03525	1.1
145.02994	1.0
148.05318	1.1
149.02461	1.0
151.03943	1.4
161.02484	8.4
161.04541	2.1
175.02489	1.2
179.03508	3.6
203.05560	4.4
234.34984	0.8
254.52824	1.0
268.03854	4.9
283.06122	6.1
296.44116	0.9
330.82492	0.8
359.07733	1.6
366.66122	1.0
412.76846	1.0
427.32236	3.0
467.31461	2.0
469.33243	11.0
470.33429	1.8
487.34277	100.0
488.34622	15.7
529.35175	4.2
530.35852	1.2
691.40350	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	897.188
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	4.0
72.99307	8.6
73.02936	2.9
81.81255	1.9
93.81769	1.9
98.19826	3.4
101.02450	2.5
109.02962	14.3
113.02417	2.5
119.05032	3.5
123.04514	13.6
133.02950	21.7
135.04532	25.1
145.02910	6.4
146.72508	1.9
147.04572	10.6
151.03981	5.3
153.05536	7.6
157.02908	2.5
158.03557	1.8
159.04492	7.5
161.02452	66.6
162.02748	5.5
163.04015	2.7
173.02342	2.7
175.03934	3.5
179.03493	16.7
197.04471	8.7
198.04816	2.6
201.01895	1.9
229.01376	22.6
241.04684	1.8
249.05630	2.7
252.04080	2.0
262.65103	2.1
266.05896	1.7
267.06686	12.4
269.04776	1.7
269.08151	7.3
277.05020	6.2
293.04535	3.4
294.05313	4.3
295.06079	18.4
296.06589	2.5
313.07312	9.8
331.08218	2.5
339.05090	100.0
340.05496	10.5
357.06155	4.4
359.07751	20.0
360.08066	3.5
395.13583	3.3
493.11401	2.6
494.11713	2.3
533.55328	2.6
537.10144	5.6
537.19604	12.0
538.19971	2.4
753.49261	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	897.449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56841	4.5
69.57245	1.9
71.01389	8.1
72.99324	2.0
73.02956	5.4
77.75674	0.8
83.01391	3.1
84.50391	0.9
85.02955	3.5
88.12022	0.8
89.02439	3.0
94.99662	0.8
96.96018	1.4
97.52069	0.7
101.02441	16.2
113.02425	7.3
119.03493	1.5
125.02448	1.5
133.02959	2.7
134.03787	0.9
135.04547	7.7
137.02467	1.9
143.03525	1.1
145.02994	1.0
148.05318	1.1
149.02461	1.0
151.03943	1.4
161.02484	8.4
161.04541	2.1
175.02489	1.2
179.03508	3.6
203.05560	4.4
234.34984	0.8
254.52824	1.0
268.03854	4.9
283.06122	6.1
296.44116	0.9
330.82492	0.8
359.07733	1.6
366.66122	1.0
412.76846	1.0
427.32236	3.0
467.31461	2.0
469.33243	11.0
470.33429	1.8
487.34277	100.0
488.34622	15.7
529.35175	4.2
530.35852	1.2
691.40350	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	897.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02401	0.5
65.00326	0.5
68.99822	0.2
71.01383	2.4
72.99302	0.4
73.02952	0.4
75.00868	0.7
79.01942	0.2
81.03457	0.2
83.01373	0.4
85.02955	2.9
87.00887	0.7
89.02445	0.3
93.03465	1.6
95.01379	1.0
99.00893	0.9
101.02444	0.4
103.00354	0.2
105.03490	0.2
107.01382	1.0
108.02180	5.3
109.02962	3.4
113.02446	2.2
115.00351	0.4
117.01967	0.3
121.02941	0.6
122.55304	0.2
133.02074	0.2
133.02945	4.7
134.03236	0.3
135.04506	0.4
137.02454	2.9
142.57352	0.2
144.82100	0.2
149.02422	1.6
151.00385	3.4
151.04053	0.3
152.01154	7.6
153.01953	2.2
161.02495	0.3
169.06567	0.2
171.04486	0.2
175.02524	0.4
175.03973	1.8
177.01923	0.2
185.06024	0.3
191.03539	0.2
198.03181	0.3
199.03947	1.7
200.04402	0.3
201.01933	0.5
213.05560	0.6
215.03510	0.3
217.04959	1.0
229.05000	0.2
240.04176	0.2
241.04951	0.8
242.02180	0.2
243.03065	0.6
257.04605	0.5
267.02884	0.2
281.06650	0.8
284.03351	0.4
285.04037	100.0
286.04385	8.7
297.04111	0.6
315.07394	1.1
327.05090	1.3
327.70389	0.2
355.04645	0.3
357.06049	1.1
369.05994	0.2
381.06320	0.3
399.07257	0.2
407.99265	0.2
435.09293	13.5
436.09698	1.6
461.07242	57.6
462.07620	7.4
462.14224	0.2
496.56750	0.2
695.47662	0.2
826.09729	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	893.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	1.1
73.02937	0.5
81.03471	0.7
85.02968	0.9
93.03459	26.4
94.03805	0.8
94.70025	0.3
95.01424	0.6
96.97243	0.3
100.29240	0.3
101.02470	0.8
108.02178	26.7
109.02324	0.5
109.02982	10.5
110.52484	0.3
113.02438	0.5
119.05002	0.4
121.03011	0.6
135.04538	0.9
137.02446	44.4
138.02817	2.1
148.02744	0.4
151.04028	0.6
152.01157	39.3
153.01942	15.7
154.02254	0.6
161.02454	1.3
163.04063	0.4
179.03520	0.6
195.02991	0.5
297.06186	8.0
298.06345	0.6
315.07208	11.7
316.07455	1.2
427.71814	0.4
435.09311	100.0
436.09674	12.3
437.09790	0.5
444.76981	0.4
457.07309	0.8
692.86316	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	895.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.6
71.01385	8.8
72.99306	1.9
73.02949	7.7
83.01391	4.1
83.05026	4.0
85.02942	1.6
87.00881	0.8
89.02425	1.9
97.02920	0.8
98.20663	0.7
99.00880	0.5
99.04521	0.6
101.02446	19.5
102.02805	0.5
107.92979	0.6
108.02122	0.7
108.47792	0.5
109.02961	1.4
113.02448	3.5
119.03493	1.6
123.04486	0.9
125.02417	1.2
131.03476	1.2
133.02936	2.1
134.03679	0.8
135.04529	4.1
137.02417	1.1
143.03473	1.1
145.02951	1.6
147.04451	0.5
148.05321	5.0
149.04456	0.7
153.68680	0.5
155.03516	0.8
159.04430	0.7
160.01744	0.7
161.02470	5.7
161.04524	3.4
161.05818	0.5
163.03996	0.6
163.07639	5.4
175.03941	0.8
177.01881	0.6
179.03487	2.1
197.04472	0.9
203.05617	6.0
221.06583	1.8
229.01349	2.0
243.03246	0.8
263.07678	1.2
267.06583	1.0
277.05234	0.5
295.06140	0.8
339.05075	6.7
339.26901	0.5
340.05640	0.8
357.27637	0.8
359.07709	1.0
401.26767	0.6
405.31638	0.7
413.30527	1.5
423.32730	1.8
437.30661	0.9
441.33807	0.8
455.31580	1.0
465.29819	0.9
467.31631	12.8
468.32025	3.0
481.33170	1.0
485.32718	100.0
486.33035	19.1
499.34549	2.5
511.30493	1.1
527.33673	5.7
528.34277	1.4
557.34808	1.6
793.98792	0.5
846.68976	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	893.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.15690	0.4
71.01385	3.3
72.99313	10.7
73.02947	0.7
73.68057	0.3
73.77298	0.3
73.99599	0.5
83.01398	0.5
85.02954	0.9
87.00877	0.4
88.77236	0.4
89.02450	2.4
93.03438	0.9
98.19899	0.9
101.02485	2.0
107.05030	0.6
109.02940	1.0
113.02449	1.1
117.03459	2.4
119.03518	1.1
119.05045	1.4
123.04530	5.4
127.22379	0.4
132.02188	0.9
133.02960	28.0
134.03659	1.4
135.04529	26.0
136.04858	0.9
143.24574	0.4
145.02975	5.9
151.04051	0.5
159.04518	1.0
161.02448	100.0
162.02783	4.4
163.03925	0.6
163.11279	1.3
175.03717	0.4
177.05649	0.5
179.03491	13.8
180.03836	0.9
187.03909	0.6
197.04549	12.9
197.06342	0.7
207.10190	3.1
215.05753	0.5
224.04871	0.5
227.07126	4.6
239.07094	3.6
251.07051	0.6
253.08444	0.6
255.10284	1.2
263.07297	0.5
266.05994	0.8
281.08157	2.3
307.06223	1.3
325.07108	0.7
333.40207	0.5
359.07727	25.1
360.07977	2.1
369.26569	0.4
387.16592	14.0
388.17084	1.3
533.20270	3.3
534.20569	0.9
549.19904	4.8
550.20001	0.8
621.96008	0.4
669.25580	1.3
695.23450	2.0
696.23969	0.5
713.24780	6.1
714.24866	1.1
845.29974	0.5
859.10126	0.5
893.28668	11.0
894.29065	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	893.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42411	0.2
69.03442	0.4
69.41203	1.0
69.41631	0.9
71.01396	0.5
77.94469	0.3
90.40635	0.2
93.03450	0.3
95.01378	0.3
96.96027	0.4
98.19865	0.5
107.05038	0.6
108.02197	0.9
109.02950	3.3
117.03400	0.3
121.02966	1.0
125.02417	0.3
132.02187	0.3
132.97298	0.3
133.02959	7.1
134.03828	1.7
135.00905	0.9
135.04524	80.0
136.04845	3.4
138.81813	0.3
145.03015	0.5
149.01378	0.5
149.02451	4.6
150.03238	1.5
152.01096	1.2
161.02443	26.0
162.02780	1.4
173.02422	0.4
174.03162	0.8
179.03491	100.0
180.03821	4.3
211.07649	0.3
221.06111	0.4
222.06723	0.3
237.05502	0.6
238.06282	0.5
239.07185	0.7
243.06615	2.5
244.06964	0.3
249.05609	0.5
250.06317	1.2
255.06775	0.3
266.05820	0.5
267.06610	20.0
268.06927	2.1
283.06097	1.9
297.07571	0.7
311.05603	28.2
312.05984	2.8
313.06970	0.4
341.06631	10.5
342.07010	1.3
381.83716	0.3
491.03049	0.5
491.09836	6.6
492.09985	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	893.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75833	0.2
66.47187	0.2
69.66537	1.5
71.01375	2.4
72.99311	9.3
73.02951	0.7
77.36884	0.2
83.01409	0.3
85.02945	0.6
89.02447	1.6
93.03457	1.3
101.02454	1.8
105.03429	0.3
107.05032	0.5
109.02934	1.2
113.02454	1.2
117.03458	2.0
119.03497	0.7
119.05026	1.0
123.04527	3.6
132.02173	1.1
133.02962	27.4
134.03636	1.1
135.04530	25.3
136.04845	1.2
137.02441	0.8
145.02948	6.5
146.03226	0.4
151.03960	0.3
159.04466	0.5
161.02448	100.0
162.02779	4.2
163.04019	1.0
163.11282	1.0
179.03500	15.4
180.03880	0.6
187.04010	0.5
197.04555	11.5
198.04840	0.5
207.10242	2.2
227.07170	0.7
239.07115	2.6
240.07393	0.3
249.05847	0.2
255.10316	0.7
265.05032	0.3
266.05624	0.4
279.06476	0.3
280.91165	0.3
281.08237	0.9
286.53293	0.2
325.07147	0.6
341.10638	0.2
343.08298	0.3
353.95798	0.3
359.07724	21.9
360.08142	2.4
387.16650	9.7
388.16895	0.7
391.19788	0.4
520.33685	0.4
533.20349	3.2
534.20502	0.5
549.19861	5.6
550.20319	0.8
653.86823	0.3
669.25781	1.5
695.23389	1.2
713.24652	4.3
714.25299	0.8
893.28809	9.6
894.29419	2.8
918.08112	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	892.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01403	27.5
71.32831	27.2
76.08904	13.1
76.24099	13.8
89.02432	19.5
101.02432	22.4
113.02401	17.3
125.02386	14.1
135.81245	14.0
161.02425	14.5
162.84004	18.5
171.10246	100.0
172.10583	51.4
173.10762	14.5
197.80901	16.0
277.21674	51.8
278.21991	43.7
279.22162	15.9
397.13452	21.2
398.13681	29.8
399.14047	23.8
440.26996	15.7
552.79724	16.8
572.82544	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	892.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31108	20.1
64.94467	20.3
70.64532	67.6
71.01398	41.6
72.47871	25.0
89.02442	37.4
105.81592	24.6
116.92890	40.8
125.36900	22.6
131.42111	21.7
171.10252	100.0
172.10612	30.9
187.84953	22.8
261.41339	23.7
277.21802	72.3
278.22028	41.5
397.13687	30.8
433.29205	27.3
448.80157	26.4
479.46396	24.5
724.43097	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	891.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	2.8
71.01385	100.0
71.66142	2.4
72.01738	1.8
72.99308	6.2
73.02948	38.1
75.00878	4.0
78.95901	2.0
83.01394	14.3
83.05035	2.8
85.02954	33.1
85.03439	2.4
87.00864	7.4
89.02448	36.2
95.01394	9.2
97.02969	2.3
99.00908	8.5
101.02447	59.4
102.02766	1.8
111.00867	2.1
113.02452	46.1
117.03514	1.5
119.03500	14.3
125.02477	4.1
128.63898	1.6
129.01932	3.1
131.03508	4.4
133.02943	5.1
135.04514	4.4
141.02058	1.8
143.03508	10.3
149.04576	9.7
159.03038	4.1
161.02419	5.2
161.04555	39.0
162.04826	2.1
166.38011	1.6
175.02477	5.8
177.01921	2.9
179.03528	2.0
179.05605	16.8
183.00426	2.4
185.11819	3.1
197.04570	2.0
201.04001	2.5
203.05598	16.8
209.15540	3.6
221.06670	6.1
235.13574	2.0
253.14449	2.8
267.06482	2.1
269.04547	25.5
270.04800	4.4
271.19058	2.3
305.89606	1.8
345.19305	1.6
371.20718	22.1
389.17892	2.4
413.21799	57.8
414.22195	7.6
433.19815	7.7
433.25177	41.5
434.24750	6.3
445.07513	7.4
446.08206	3.0
610.55408	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	891.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45544	12.1
71.01383	55.3
72.99300	3.9
73.02950	19.0
74.79991	1.5
75.31396	1.4
76.21494	1.4
81.25311	1.6
83.01390	7.8
85.02959	18.6
85.78523	1.5
87.00882	3.6
89.02450	22.4
90.02805	1.6
93.03458	4.0
95.01406	4.2
97.03008	1.9
98.20648	2.9
99.00909	5.0
101.02446	33.6
109.02956	3.9
113.02457	27.2
114.16409	1.5
119.03496	9.8
124.36239	1.5
125.02467	2.5
130.95500	1.4
131.03537	2.9
133.02942	2.5
135.04518	12.8
137.02464	8.4
139.03996	5.6
143.03516	3.8
147.04527	2.0
149.04568	4.0
149.06058	1.9
153.01920	2.5
159.03032	1.8
159.04387	1.8
161.02461	13.3
161.04527	15.1
163.00432	1.6
165.01936	6.6
177.05640	4.6
179.03508	17.3
179.05573	5.9
198.18736	1.6
203.05533	1.5
207.13918	2.4
221.04576	6.2
221.06563	1.7
225.14935	4.3
251.05576	2.3
281.06610	8.7
283.02377	2.6
285.04178	2.2
312.12308	2.1
325.16580	3.1
331.17645	6.5
341.08771	17.0
343.17529	2.5
351.18179	7.8
369.19165	32.3
370.19742	4.3
373.18616	14.7
374.19012	1.7
385.18695	6.9
387.09314	5.7
387.20212	15.4
411.20264	7.0
429.21271	100.0
430.21747	10.5
473.20474	3.3
477.10510	1.9
569.84723	1.6
881.00769	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	891.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	1.3
64.94418	0.6
69.03455	1.2
69.42176	1.0
69.42580	5.9
71.01383	19.2
72.99304	1.8
73.02946	29.2
75.00875	0.7
83.01385	8.4
85.02947	2.6
87.00887	1.2
89.02447	4.9
95.01373	0.9
101.02441	18.7
109.02963	0.8
113.02449	5.6
119.03526	1.6
123.04471	0.7
131.03525	1.0
133.02991	1.4
135.04503	3.2
137.02469	1.3
143.03490	1.5
149.04590	2.5
149.09703	0.8
161.02454	4.0
161.04514	3.9
167.10776	20.4
168.11127	1.1
179.03517	1.5
221.06621	1.1
229.01358	1.8
241.61406	0.6
294.79901	0.7
335.86957	0.8
347.17029	4.5
389.18152	100.0
390.18430	8.6
413.21677	2.1
601.58624	0.7
783.18127	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	889.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94902	3.1
71.01383	10.7
72.99310	1.7
73.02952	2.9
75.23273	1.0
83.01379	2.4
85.02957	6.8
97.02950	2.3
99.00891	1.5
101.02448	4.5
111.00920	1.4
111.04512	1.2
112.01675	1.4
113.02460	3.1
118.43451	1.1
121.06554	1.3
124.01571	1.7
125.02436	2.3
132.56993	1.0
135.04514	4.2
135.08174	3.2
136.05246	1.1
137.06154	1.5
149.06071	11.6
150.06862	99.2
151.07306	3.4
161.02408	2.3
161.09682	2.5
162.06865	19.4
162.08121	2.0
163.03976	1.0
163.07655	31.0
164.08420	24.3
176.08459	2.0
177.09213	20.3
178.09932	5.1
179.03523	1.5
179.10776	78.2
180.11107	4.2
256.59381	1.2
271.34708	1.0
275.67035	1.0
375.71460	1.5
461.31131	1.3
464.34998	4.6
472.74738	1.1
479.37344	15.8
480.16135	1.0
480.37708	3.4
488.16620	1.3
592.65875	1.2
608.39514	4.6
622.41064	1.2
623.41730	35.8
624.42206	8.2
626.39862	3.4
639.40771	1.1
640.41907	12.4
641.26770	1.6
641.42633	73.6
642.43091	13.1
682.42871	6.7
683.43726	100.0
684.43964	22.3
785.46954	20.8
786.47839	5.3
803.47882	12.9
804.48383	3.6
845.48987	18.9
846.49542	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	890.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.91546	0.5
71.19324	0.9
72.37090	0.4
85.74761	0.4
118.88055	0.5
121.39019	0.5
135.62704	0.4
151.70490	0.5
238.23450	0.5
573.28253	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	891.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40723	1.9
71.01384	8.7
72.99291	1.0
73.02937	0.6
80.68966	0.3
83.01376	0.6
85.02967	1.4
87.00878	0.5
89.01907	0.5
89.02448	7.6
95.01393	0.9
99.00907	0.3
101.02450	5.9
113.02453	3.4
114.29301	0.3
119.03499	3.0
131.03520	0.5
137.02335	0.3
163.11288	3.1
164.11597	0.3
178.56451	0.2
179.03461	0.3
207.10257	7.3
208.03728	0.3
208.10506	0.4
223.06128	1.2
224.06415	0.6
225.11293	0.3
254.99582	0.3
339.96310	0.3
386.11566	0.4
387.16602	100.0
388.16919	11.2
533.72449	0.3
890.92487	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	889.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	19.4
71.63165	1.6
72.99334	1.8
73.02945	5.3
83.01402	4.4
85.02972	8.8
87.00876	1.9
89.02422	3.0
99.00875	1.9
99.04467	1.6
101.02423	8.1
111.24883	1.2
113.02438	6.1
113.06061	1.6
122.06067	6.3
125.02441	1.9
134.06105	4.2
135.04475	2.9
135.08125	2.8
136.05325	1.7
143.03673	1.5
149.06104	7.5
150.06862	100.0
151.07204	5.1
152.07141	7.4
161.02432	5.1
161.09724	2.5
162.06871	18.2
163.07660	33.5
164.08414	24.4
165.05566	1.9
165.08749	1.6
165.76579	1.6
176.08411	2.5
177.09216	19.5
178.09952	7.0
179.10770	72.6
180.11107	4.2
213.10344	4.5
222.67418	1.4
239.11807	2.7
267.11319	3.2
285.12454	8.5
316.14389	1.5
317.36118	1.5
340.14667	3.2
346.62891	1.5
358.15625	2.2
400.16815	2.0
446.33908	1.8
461.30814	1.5
461.36710	3.4
464.35153	7.0
466.74036	1.4
479.37546	13.7
480.37601	3.6
565.24213	4.5
591.22516	6.6
592.23016	2.5
608.39410	3.5
609.23480	11.2
610.23682	4.3
611.24384	1.5
623.41589	45.1
624.41876	8.4
640.41833	14.3
641.27045	11.5
641.42657	75.5
642.26361	3.6
642.43060	17.5
651.24829	4.0
682.43152	3.6
683.26715	2.5
683.43744	86.6
684.43994	21.0
785.46692	26.5
786.46533	7.7
803.48022	12.0
804.48120	3.8
845.34698	1.8
845.49127	17.8
846.48822	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	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	4.0
69.03458	0.8
71.01386	15.7
72.99306	0.7
73.02959	2.5
81.03461	0.9
83.01383	1.9
83.05028	0.8
85.02949	4.1
87.00885	4.1
89.02444	12.6
90.44486	0.5
95.01385	2.0
97.02946	2.5
98.20618	1.9
101.02458	11.4
113.02448	6.7
119.03519	3.7
125.02443	5.9
125.09724	0.8
127.11317	1.8
139.04044	0.7
143.03500	2.3
151.82956	0.6
153.09253	0.8
160.20758	0.5
161.04591	3.8
171.10269	100.0
172.10583	3.7
179.05563	3.7
199.06133	0.9
199.24480	0.6
209.11838	3.2
210.12155	2.5
217.07236	0.9
221.06853	0.8
229.54271	0.7
235.08220	6.4
253.09407	0.9
259.08252	0.7
263.89529	0.5
277.21713	49.7
278.22025	5.9
279.23322	1.7
280.23499	1.4
287.07718	2.3
301.08975	0.6
305.08759	1.8
323.09952	1.1
379.12451	14.4
379.17358	0.7
380.12726	1.3
397.13501	40.8
398.13953	4.7
415.14615	8.0
445.91260	0.6
551.23511	3.5
569.24475	3.3
579.52942	0.6
657.34698	1.1
675.35986	1.2
735.74695	0.7
889.49011	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	889.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.6
69.03456	0.9
70.40630	1.4
71.00986	1.2
71.01380	17.5
72.99304	1.5
73.02952	2.7
81.03476	1.4
83.01390	1.7
85.02946	4.5
87.00871	4.7
89.02451	13.5
89.02988	0.9
95.01405	1.5
96.96049	0.6
97.02957	3.8
99.00870	0.8
101.02448	13.4
109.02995	0.7
111.04502	0.7
113.02450	8.0
116.92858	1.5
119.03495	4.2
121.02968	0.5
125.02434	8.0
125.09727	0.9
127.11311	2.5
131.03543	0.9
133.05157	0.5
136.27792	0.6
138.53952	0.5
143.03491	3.2
161.02397	0.6
161.04561	3.8
171.10266	100.0
172.10602	5.9
179.05640	5.0
199.06184	1.2
213.11246	0.7
217.07127	1.1
221.06767	0.7
235.08226	6.0
236.08600	0.6
253.09253	1.1
259.08325	1.0
261.76532	0.5
277.21707	70.7
278.22061	7.6
287.07724	2.3
291.23322	0.8
305.08557	2.7
323.09705	0.7
361.11331	0.6
379.12408	16.6
380.07965	0.5
380.12784	1.7
397.13492	47.4
398.13895	4.0
415.09518	0.9
415.14575	9.8
416.14990	0.7
551.23505	3.4
569.24182	2.9
657.34851	1.2
675.35999	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	889.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	8.6
71.01373	6.0
71.65593	3.2
71.65979	2.8
72.99287	3.2
74.46576	2.3
80.05038	3.9
85.02943	3.2
96.96030	11.2
101.02422	4.4
104.05093	3.4
106.06622	7.0
108.08201	50.0
109.02953	2.8
113.02458	2.5
118.50449	2.3
119.05018	4.9
122.06097	9.3
132.04562	9.0
133.02985	11.0
134.06137	11.3
135.04494	13.9
145.02902	4.9
150.06886	3.3
152.07191	14.3
160.06468	4.8
161.02443	22.0
163.04012	5.3
170.28545	2.3
174.05521	3.3
177.84114	3.6
179.03426	3.9
190.05086	5.7
195.68938	2.3
197.04483	3.2
211.07590	5.4
213.10320	25.8
223.07707	2.1
226.11171	3.5
239.11966	14.0
241.13457	10.4
251.11981	4.5
267.11401	12.7
269.12906	5.2
285.12439	38.3
293.12964	7.2
293.39166	2.4
302.65366	2.6
311.05499	3.3
316.14569	3.5
317.65677	2.6
340.14478	10.6
342.12338	3.2
343.13223	4.4
344.14041	4.1
355.12863	2.9
356.13843	7.1
358.15585	13.0
362.89578	2.6
368.10248	2.8
370.15598	6.4
381.10999	3.0
384.13348	5.6
396.13120	4.9
397.14145	7.2
397.19431	3.0
398.15176	4.3
399.15567	2.6
400.16556	7.6
410.14877	2.4
412.16797	5.0
438.14560	5.6
469.35101	2.2
477.10553	2.5
477.22665	5.5
479.24512	7.6
503.24097	2.4
505.22360	12.9
519.23157	6.9
521.25525	14.4
547.23511	35.6
548.23206	7.2
565.24561	100.0
566.24841	18.3
577.25525	2.9
591.22455	58.1
592.22589	10.8
597.27368	25.2
598.27448	5.4
609.23352	6.5
623.24847	3.1
641.26996	3.8
641.42090	4.4
683.27252	4.4
683.43970	3.2
813.29901	84.4
814.30487	26.5
845.31763	16.6
846.32312	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	886.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
78.95903	0.3
98.19769	0.4
118.89050	0.3
121.16640	0.3
131.43706	0.3
199.37790	0.3
228.72742	0.3
266.96701	0.3
277.21655	0.3
293.21362	0.7
322.22314	0.3
332.86508	0.3
497.27887	0.3
605.68121	0.3
886.48108	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	887.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	11.9
63.62986	0.6
64.09202	0.6
64.53756	0.6
69.03450	1.3
69.61319	4.5
71.01385	17.1
72.99298	2.1
73.02939	2.6
81.03470	1.8
83.01388	2.2
83.05026	4.1
84.02168	0.7
85.02940	3.7
87.00870	3.9
89.02440	11.6
95.01415	1.1
95.09124	0.7
97.02950	2.4
99.00913	0.9
101.02451	12.2
113.02445	6.9
116.92785	0.8
119.03488	3.4
125.02448	5.1
131.03413	0.9
135.08144	0.8
143.03508	2.1
161.04568	3.1
163.11273	3.8
165.12845	2.3
179.05583	3.0
180.05864	0.7
200.61409	0.7
209.11823	100.0
210.12132	7.5
213.32504	0.7
217.07234	0.9
221.06606	1.1
221.82294	0.7
227.12904	12.0
228.13071	0.8
235.08191	4.7
237.09984	0.7
242.29538	0.8
253.09288	0.8
259.08273	0.8
279.23291	59.1
280.23657	5.8
287.07620	1.7
293.24759	0.8
305.08810	1.9
306.31912	0.6
313.97760	0.7
323.10001	1.4
366.40829	0.7
379.12457	6.2
380.12457	0.8
397.13495	39.5
398.13791	4.0
415.14517	9.3
416.87354	0.7
503.08029	0.7
677.37433	1.1
887.47797	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	889.277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.5
69.03412	0.4
69.62970	2.6
71.01389	1.2
73.02971	0.5
75.00839	0.5
77.67278	0.4
81.03445	0.6
85.02968	1.9
89.02453	0.3
93.03461	31.8
94.03793	1.3
95.01372	0.7
97.32180	0.3
98.19901	0.7
98.82586	0.3
101.02464	0.7
108.02177	28.1
109.02981	12.8
113.02460	1.2
119.05046	0.3
121.02935	0.5
123.00923	0.4
124.27934	0.3
125.05029	0.3
133.02913	0.8
135.04503	1.3
137.02448	48.7
137.09668	0.5
138.02774	2.5
151.04068	0.7
152.01155	42.5
153.01945	17.9
154.02310	0.8
161.02414	1.6
163.04010	1.1
179.03520	0.7
189.12843	0.4
191.03076	0.4
195.02957	0.4
201.11908	0.3
268.04160	0.4
269.17468	0.4
297.06171	7.7
298.06393	0.6
315.03699	0.7
315.07224	10.3
316.07333	0.6
349.18585	0.4
391.19406	0.6
413.21957	0.8
435.09320	100.0
436.09659	14.3
437.09781	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	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.8
68.99844	0.3
69.03450	0.8
70.78333	0.8
71.01383	15.1
72.01754	0.3
72.99300	1.4
73.02944	2.2
75.00877	0.3
80.02670	1.2
81.03471	2.0
83.01395	1.9
83.05027	4.6
84.02164	0.5
85.02943	3.6
87.00873	3.6
89.02444	13.3
90.02781	0.3
90.98643	0.2
95.01408	1.2
95.05032	1.0
97.02960	2.4
99.00895	0.8
101.02444	11.4
109.02972	0.4
109.06574	0.5
111.00899	0.3
111.04511	0.3
113.02454	7.4
115.00187	0.2
119.03497	3.0
125.02456	5.3
127.07674	0.3
131.03488	0.8
133.05075	0.3
135.08199	0.7
139.04039	0.3
141.01907	0.2
143.03499	2.7
149.04553	0.3
161.04553	3.2
163.11282	3.3
164.11615	0.4
165.12836	2.6
179.03973	0.4
179.05588	3.6
180.06038	0.2
181.12314	0.7
185.04597	0.3
191.10786	1.0
199.06157	0.3
207.10219	0.3
209.11826	100.0
210.12183	6.0
217.07152	0.8
221.06609	1.4
227.12888	10.8
228.13206	0.8
235.08211	5.5
245.06631	0.4
251.12839	0.6
253.09276	0.5
259.08224	0.5
263.07703	0.5
277.21716	49.5
278.22067	4.4
283.13239	0.3
287.07739	1.7
291.23312	0.3
305.08810	1.9
323.09882	0.7
379.12451	5.9
380.12790	0.8
397.13495	36.6
398.13858	2.5
415.14572	8.5
416.14963	0.6
589.25195	0.5
607.25720	0.7
675.36304	0.6
885.47241	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	884.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.00844	0.2
78.65578	0.2
78.95947	0.3
87.00895	0.2
88.98775	0.4
101.02476	0.2
113.02389	0.2
116.92885	0.2
207.10359	0.7
209.11926	0.2
225.11266	0.3
277.21747	0.2
299.16522	0.2
339.08627	0.2
397.13666	0.5
884.48889	0.2
885.46948	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	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	2.0
62.34250	0.2
66.12292	0.2
69.03460	0.6
69.32664	0.2
70.85640	0.6
71.01382	14.0
72.01739	0.3
72.99319	1.0
73.02948	1.6
73.04243	0.2
75.00915	0.3
79.95728	0.4
80.02695	1.1
81.03450	2.1
83.01379	1.5
83.05031	5.1
84.02170	0.7
85.02953	2.7
86.00110	0.3
87.00880	3.0
89.02445	11.3
93.03429	0.3
95.01405	1.1
95.05048	0.7
97.02946	2.1
98.23148	0.2
99.00903	0.6
101.02443	9.4
109.02905	0.4
109.06647	0.3
111.00919	0.3
111.04585	0.3
111.08154	0.4
113.02458	6.2
119.03501	3.2
124.01741	0.2
125.01579	0.5
125.02443	4.7
125.03278	0.4
125.06054	0.5
131.03497	0.5
133.05051	0.3
135.08125	0.7
139.04015	0.5
139.07767	0.2
141.01945	0.3
143.03500	2.0
147.11847	0.4
161.04550	3.0
163.11282	4.2
165.12848	2.7
167.03525	0.3
177.83336	0.2
179.05592	3.5
181.12321	0.8
185.04482	0.3
191.10759	1.3
199.06076	0.4
208.15622	0.3
209.11826	100.0
210.12152	6.6
217.07129	0.8
221.06654	1.3
227.12886	10.3
228.13150	0.7
233.11946	0.3
233.93236	0.3
235.08180	4.1
251.12912	0.6
253.09286	1.4
259.08191	0.6
263.07712	0.4
275.19952	0.4
277.21710	41.4
278.22043	3.8
287.07690	1.4
291.23337	0.3
293.21472	0.3
305.08823	1.6
323.09784	0.9
361.11224	0.3
379.12466	5.2
380.12616	0.4
397.13489	29.0
398.13797	2.3
415.14545	8.5
416.14642	0.6
589.24603	0.6
607.25824	1.0
811.49475	0.7
907.08478	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	884.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.22437	0.2
62.98534	0.3
68.23024	0.2
70.27879	0.7
78.91894	0.2
93.70918	0.2
98.19895	0.2
99.02369	0.2
124.72702	0.2
138.52734	0.2
155.78635	0.2
246.90282	0.2
616.01208	0.2
893.54279	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	884.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.33905	0.2
71.01389	0.4
88.98849	0.2
89.02451	0.2
95.20661	0.2
98.20804	0.2
106.49435	0.2
109.06593	0.2
126.90477	0.2
128.04878	0.2
207.10310	0.7
207.15353	0.2
209.11723	0.2
225.11435	0.5
225.28255	0.2
277.21826	0.4
322.79239	0.2
372.43982	0.2
381.51538	0.2
393.26703	0.2
397.13675	0.4
419.39319	0.2
689.94879	0.2
884.47797	0.3
885.48102	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	883.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	14.8
63.83813	0.8
69.03460	2.4
71.01383	26.4
71.63396	1.1
72.01729	0.6
72.99314	2.1
73.02947	4.9
75.00879	0.8
78.95902	1.1
80.02679	1.2
81.03458	3.3
83.01405	3.0
83.05030	3.1
85.02942	7.9
87.00867	5.8
89.02444	20.2
95.01403	1.7
95.05005	0.7
97.02946	12.2
97.53455	0.7
99.00865	3.5
101.02439	20.2
107.05019	1.2
109.06591	31.3
110.03766	0.9
110.06921	1.1
113.02451	11.6
119.03510	4.7
121.06645	1.8
125.02440	7.3
125.09679	1.0
131.03482	1.0
135.08171	4.4
136.05327	1.9
141.01971	1.1
142.02718	2.8
143.03496	3.2
145.10231	1.0
147.08176	0.7
154.71472	0.7
161.04582	5.2
161.09731	3.7
163.11285	18.8
163.25392	0.6
164.11604	1.4
179.05600	5.7
179.10777	0.9
181.12337	4.4
189.09198	2.1
207.10255	100.0
208.10594	7.0
209.11754	2.6
221.06670	2.7
225.11314	36.5
226.11627	2.5
235.08170	7.8
243.12257	1.4
253.09317	1.4
263.07736	1.7
277.21713	75.7
278.22079	8.5
287.07730	1.9
300.50153	0.8
305.08652	2.1
310.87952	0.8
323.09869	1.7
338.05576	0.8
379.12415	6.2
397.13498	52.1
398.13766	5.0
415.14523	14.7
416.14566	1.3
441.34033	1.1
561.65283	0.8
605.24213	5.8
606.24677	1.0
623.25232	4.0
693.78723	0.9
865.46533	2.0
883.46967	48.3
884.47296	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	883.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	26.3
68.99819	0.6
69.03460	1.5
70.38854	1.2
70.39212	0.8
71.01382	23.0
72.99312	1.8
73.02945	4.6
75.00849	0.5
80.02676	1.1
81.03447	4.0
83.01389	3.0
83.05012	3.1
85.02950	7.1
87.00877	5.5
89.02447	19.0
90.02793	0.7
91.03982	0.6
93.03453	0.7
95.01397	1.7
95.05048	1.0
97.02952	13.0
97.06602	0.6
99.00885	3.4
99.04539	0.6
101.02442	16.3
107.05044	1.7
109.02934	0.8
109.06591	36.1
110.03766	1.3
110.06927	0.8
111.00890	0.7
111.04567	1.3
111.48965	0.5
113.02453	10.6
116.92832	0.6
119.03493	5.5
121.02946	0.5
121.06588	2.8
123.04424	0.9
123.08183	0.6
125.02447	6.4
125.09825	0.5
131.03519	1.1
135.08156	4.2
136.05312	2.3
141.01944	1.7
142.02716	2.9
143.03511	3.1
145.10275	1.0
161.04538	4.3
161.09723	2.4
163.11292	19.6
164.11591	1.1
179.05641	6.3
179.10799	0.7
181.12358	6.0
189.09152	2.4
189.76747	0.5
207.10257	100.0
208.10577	6.8
209.11855	3.6
217.07243	1.1
220.27864	0.5
221.06726	2.2
225.11314	45.9
226.11595	3.4
235.08260	5.5
243.12462	2.3
245.06612	0.7
253.09331	0.7
263.07739	0.9
275.20029	0.6
277.21710	52.5
278.22043	5.4
281.13928	1.1
287.07880	2.7
287.10690	0.6
299.14929	1.5
305.08749	1.8
315.13675	0.5
323.09894	1.1
379.12402	5.7
382.78696	0.5
397.13498	42.4
398.13870	3.9
415.14569	13.1
416.14911	1.2
441.33701	0.8
443.19467	0.7
587.23651	1.4
605.24408	7.8
606.25433	1.0
623.25415	8.0
624.25665	1.6
657.34937	0.5
675.36267	0.7
843.38562	0.5
865.46112	1.4
866.46448	0.7
883.46918	46.8
884.47278	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	881.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98514	6.0
61.98831	100.0
68.01367	4.0
71.01367	10.1
77.27148	3.7
78.59062	4.0
78.95847	4.1
89.02435	10.0
101.02425	14.2
102.02803	4.1
111.08170	7.7
113.02423	14.9
115.30177	4.3
116.92883	5.6
119.03493	4.7
143.91452	3.8
161.02477	5.2
169.12413	5.1
189.83667	4.4
197.11778	28.2
201.11288	31.5
209.11803	40.7
210.12082	5.1
211.13417	6.2
223.13213	7.7
227.12813	7.1
229.45549	5.2
249.18492	4.4
250.80585	4.8
253.09207	23.2
255.23216	27.5
256.13351	4.5
275.20270	5.5
277.21649	7.9
291.19617	16.0
293.21237	85.0
294.21375	11.9
309.20724	45.0
310.21085	6.3
379.12204	5.7
397.13486	22.8
398.13791	4.3
415.14560	7.0
432.52991	4.3
434.07712	5.3
632.59100	4.5
914.21637	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	881.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	8.0
69.27745	1.4
71.20638	1.6
71.62967	2.0
75.31023	1.5
93.62661	1.4
94.91940	1.8
117.03468	27.8
119.05035	19.6
126.86139	1.3
133.02870	2.5
145.02954	96.9
146.03316	4.9
161.02448	3.4
163.04030	9.2
271.45767	1.6
487.34204	5.5
488.34933	1.9
589.38641	3.6
615.37048	1.9
633.37958	100.0
634.38153	25.5
837.44452	25.9
838.44391	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	881.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	12.2
71.01375	10.4
71.63971	1.1
71.64393	1.4
72.99303	2.8
73.02943	3.0
83.01391	1.7
85.02945	5.7
89.02452	3.9
95.01395	1.2
101.02443	9.9
113.02448	11.8
116.92828	0.9
119.03501	6.1
123.04465	1.0
125.02411	0.9
132.87015	0.8
133.02971	2.4
134.06114	2.2
135.04546	5.2
143.03455	1.7
145.02863	1.3
149.02509	1.1
161.02464	8.9
161.04550	7.7
162.02789	1.7
163.04018	1.4
179.03496	2.6
190.54413	0.8
197.04575	1.4
305.18045	1.0
359.08090	1.1
359.19730	1.0
434.22552	0.9
471.34793	100.0
472.35159	16.8
485.36337	1.7
513.36029	2.1
565.20099	2.6
589.41571	3.0
631.41949	1.2
633.39819	3.1
654.26373	1.4
655.26483	2.5
675.41095	72.4
676.41333	17.3
717.42230	3.4
810.66919	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	879.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	14.5
61.99105	2.6
71.01395	6.1
71.63220	4.3
71.63641	2.7
77.19212	2.7
78.95901	3.0
89.02415	6.0
101.02448	6.5
113.02418	3.5
116.92814	3.7
195.13846	7.7
223.13371	7.8
245.19035	7.7
253.09236	17.4
275.20245	6.9
289.18069	43.9
293.21234	100.0
294.21454	9.7
307.19193	42.8
578.92169	3.4
637.34290	3.1
673.58270	3.7
827.51978	3.8
879.49609	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	879.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	3.0
65.48144	0.8
65.96239	0.7
70.07983	3.4
71.01371	2.8
73.02971	1.1
85.02951	1.0
88.98815	1.3
101.02444	2.0
121.51501	0.7
133.02919	1.1
134.48697	0.7
135.04518	2.6
144.40085	0.7
161.02425	4.7
179.03540	1.7
216.14977	0.7
264.98465	0.8
284.28793	0.9
437.31091	1.2
439.32263	8.0
440.32117	0.9
469.33212	4.5
613.37439	12.7
614.37579	3.4
631.38507	29.2
632.38770	7.8
673.39539	100.0
674.39874	25.7
763.89252	1.0
873.80603	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	877.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	2.9
69.03461	6.5
71.01378	14.4
71.60378	3.6
72.99315	2.0
73.02943	3.1
78.68886	2.0
85.02948	2.4
88.58641	1.7
89.02441	7.9
94.51933	2.0
99.92536	2.9
101.02406	9.3
110.63265	1.7
113.02444	2.4
116.92861	16.6
121.02990	2.3
151.11234	2.0
155.01834	2.1
161.09660	2.9
179.10741	6.2
197.11832	30.0
221.06561	1.7
241.10948	2.4
255.23312	46.1
256.23657	5.3
475.83130	2.0
642.62488	2.2
642.72809	3.1
877.48041	100.0
878.48181	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	879.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74479	1.7
71.01380	5.3
72.92608	0.3
72.99309	16.9
73.02942	1.8
73.99664	0.3
81.03462	0.4
83.01368	0.7
84.02142	0.3
85.02962	2.0
86.37804	0.3
87.00894	0.7
89.02448	3.6
95.01358	0.5
98.19860	0.5
99.00837	0.4
99.04514	0.2
101.02448	3.2
101.06068	0.6
105.42545	0.3
107.05008	0.3
109.02959	1.0
113.02452	3.5
119.03511	1.2
119.05022	1.9
123.04525	6.4
124.04812	0.3
125.02444	0.5
132.02156	1.2
133.02962	22.1
134.03677	1.1
135.04527	19.6
136.04840	0.8
143.03487	1.5
151.04019	0.6
160.01631	0.3
161.02443	100.0
161.04594	2.5
162.02769	5.2
163.04013	0.6
175.03952	0.4
178.02600	0.5
179.03496	14.8
179.05574	2.1
180.03787	0.8
193.05037	1.3
197.04555	20.1
198.04854	1.2
223.02499	0.6
253.17862	0.4
269.04517	1.0
315.18091	0.7
339.05081	0.4
357.09848	0.6
359.07715	39.4
360.08060	4.7
361.08359	0.3
397.22342	0.6
415.23376	14.9
416.23712	2.3
433.24402	4.4
434.24487	0.4
475.25595	6.4
476.25702	1.0
519.14862	1.1
521.12689	0.4
722.66211	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	877.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	10.8
69.41756	22.4
71.01358	4.4
80.05052	4.5
90.95501	2.8
98.38498	2.7
101.02441	5.5
102.29379	2.8
106.06609	7.7
109.02972	7.7
122.06125	14.3
122.74660	3.0
133.02942	8.5
134.06119	32.2
135.04546	13.9
145.02936	4.5
149.02443	13.7
150.00052	2.7
152.07220	3.4
160.06415	3.2
161.02475	23.8
161.04672	3.2
162.97000	3.1
179.03491	3.9
191.03477	7.0
213.10355	22.9
217.70848	3.1
225.10255	4.5
227.11897	6.6
239.11928	15.1
241.13469	9.3
249.10408	2.9
251.11787	3.3
277.09885	4.6
279.16241	2.9
282.37094	3.0
285.12463	41.8
293.13007	9.7
305.09534	4.2
307.10913	3.6
308.05518	2.9
308.11002	2.9
311.05685	5.9
328.10706	4.2
337.12137	2.7
355.13086	4.1
356.13950	4.7
357.14639	4.9
358.15591	26.2
397.14233	5.1
400.16855	9.9
412.16556	4.1
453.74390	3.4
517.29657	2.7
547.24292	6.3
551.22266	4.0
565.24457	10.2
591.22308	4.3
607.25610	47.7
608.26099	13.3
610.24084	8.1
611.24829	4.3
651.24591	100.0
652.25159	19.2
683.27203	19.2
684.27808	5.9
757.28796	9.2
801.27576	8.4
833.33734	3.8
833.48944	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	877.407
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87220	2.5
71.00983	5.0
71.01381	95.4
71.66257	2.9
72.99313	14.9
73.02950	100.0
81.11392	3.1
82.82984	2.7
83.01389	30.4
85.02953	18.3
87.00858	5.4
89.02419	19.0
95.01390	5.6
101.02449	95.9
108.02173	4.1
109.02951	8.9
113.02454	34.0
119.03491	9.5
121.02964	4.1
123.04515	4.5
125.02463	4.2
131.03503	7.8
133.02939	13.9
134.06078	4.4
135.04543	21.7
136.52354	2.7
139.07765	2.9
143.03458	12.5
147.04411	2.9
148.29239	2.9
149.00896	5.8
149.02348	3.2
149.04587	15.7
161.02457	48.9
161.04538	33.7
162.02791	9.0
179.03493	15.9
179.14386	5.9
187.03944	3.0
197.04503	3.4
203.05627	5.4
221.06645	13.2
231.10333	3.2
231.71892	2.8
232.10475	3.4
267.06570	4.1
282.05048	3.5
293.10114	9.7
294.10611	6.3
296.46625	2.8
311.05725	5.7
337.11594	3.1
353.19827	3.7
353.48334	3.4
371.20813	8.7
380.84805	2.8
413.21832	44.5
414.21912	6.9
455.13321	4.3
457.13651	3.3
520.60486	2.9
620.23291	4.2
651.24481	6.4
658.46417	3.2
683.27393	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	875.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	34.9
69.40008	47.9
71.01364	11.1
85.02945	5.7
89.02475	8.3
98.19937	13.3
101.02463	6.5
116.92820	6.6
135.04576	9.6
155.14075	5.4
161.02432	11.2
161.04567	8.8
167.36324	5.8
171.10332	14.3
179.03529	5.8
235.08185	15.6
253.09256	53.3
293.21194	100.0
294.21625	6.8
327.21704	57.8
328.22415	6.9
329.23071	7.1
334.21640	5.7
379.19614	5.6
529.30255	10.6
559.18384	13.1
839.51245	14.4
875.49707	35.0
876.49561	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	877.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	9.0
71.01373	4.5
71.65698	3.6
72.99293	3.3
87.02448	2.3
89.02441	2.7
96.96027	2.2
106.06611	10.7
107.77906	2.1
109.02950	7.9
111.22103	2.5
116.92848	2.8
119.04955	2.3
121.02937	3.3
122.06133	13.0
132.04562	2.4
133.02960	6.2
134.06117	28.7
135.04514	10.2
149.02461	16.3
151.03932	2.7
152.07161	3.8
160.06396	5.8
161.02481	16.8
174.05530	2.4
179.03548	2.3
189.01930	2.7
191.03450	7.5
194.08112	3.4
210.95369	2.2
213.10347	23.3
225.10312	3.1
226.10912	3.8
227.11971	2.6
232.83392	2.4
234.97975	2.4
239.11890	21.1
241.13474	13.5
249.10217	2.9
267.06683	2.6
277.09686	5.4
285.12418	48.2
290.66925	2.9
291.92514	2.3
293.12939	6.1
305.09256	4.2
307.10596	2.8
328.10718	3.1
337.11783	2.8
344.13910	2.6
355.12735	2.4
356.13974	4.3
357.14932	4.4
358.15579	23.1
359.15878	3.8
365.11472	3.3
384.13068	3.3
397.13745	3.1
400.16577	9.7
412.16391	4.1
424.94907	3.1
475.17960	2.7
491.20978	4.9
502.22437	2.5
505.22720	5.3
547.23413	9.1
551.22858	2.8
565.24585	14.4
591.22571	3.6
607.25598	44.7
608.25781	11.4
609.23175	3.9
610.24316	4.6
611.25122	4.3
623.24414	3.3
637.25983	2.9
651.24573	100.0
652.24878	20.3
683.26947	20.4
684.27466	5.5
697.26807	4.0
741.25360	2.7
757.28967	4.2
801.27301	13.2
833.31958	3.6
833.49084	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	875.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99820	7.0
69.03456	43.9
69.47812	11.8
69.48238	10.9
71.01385	79.1
72.99295	6.7
73.02951	58.6
75.00871	69.2
81.07101	6.2
83.01392	25.3
83.05020	4.0
85.02960	49.3
86.00103	23.7
87.00892	6.6
89.02451	12.2
95.01374	15.2
97.02959	21.3
99.00891	16.8
99.08231	3.0
101.02450	62.4
109.02943	4.1
111.00891	33.3
113.02452	58.0
113.06115	2.8
119.03434	3.9
119.05061	3.2
123.00887	7.3
123.04562	4.6
125.02444	6.1
127.00372	13.3
127.10291	2.9
129.01942	4.3
133.02946	7.2
135.04533	9.3
135.11847	3.6
137.02495	3.2
141.01950	45.7
143.03490	26.4
145.02956	4.9
149.04546	4.0
159.02986	13.7
161.02435	17.2
161.04497	20.7
165.01912	8.6
165.12747	3.7
169.12337	31.3
173.04585	6.2
179.03476	3.7
181.12340	3.0
183.03166	3.5
193.12265	4.1
201.04034	60.2
211.13408	100.0
212.13728	5.6
213.11418	3.9
227.13034	4.6
229.14409	24.4
239.12820	19.4
256.16306	3.3
293.13797	4.5
329.16122	4.3
371.16977	8.9
373.22339	51.9
374.22784	7.7
387.09299	5.2
415.15219	5.1
415.23444	71.7
416.23712	7.9
535.74719	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	875.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	90.3
71.65196	2.8
72.99315	5.0
73.02950	83.3
75.00874	2.7
76.38516	2.9
78.35711	2.5
83.01387	23.4
85.02951	23.0
87.00897	5.6
89.02463	25.5
95.01395	9.0
97.03014	3.3
99.00890	4.3
101.02441	100.0
109.02966	4.4
113.02450	44.8
119.03497	10.5
119.05002	3.1
125.02435	5.8
131.03514	8.2
133.02934	4.3
133.21608	2.8
135.04491	8.2
137.02486	2.8
143.03516	15.1
149.04544	20.2
159.02977	3.9
161.02496	15.6
161.04543	32.9
179.03474	6.9
193.05055	8.8
203.05801	2.5
209.15501	7.5
221.06604	9.6
222.96336	2.4
247.12849	2.6
313.16486	4.6
322.44089	2.9
331.17480	4.3
353.19717	23.0
371.20773	35.6
372.20554	6.0
373.18341	6.7
413.21786	82.8
414.22043	9.0
543.69672	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	875.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26072	2.1
69.03447	4.3
71.01385	100.0
71.62813	1.7
72.01727	2.3
72.99316	8.0
73.02952	71.2
74.03293	2.2
77.00490	1.8
83.01388	19.5
85.02966	24.2
87.00885	7.0
89.02454	39.5
95.01400	5.9
97.02953	4.6
99.00883	4.4
101.02448	91.9
102.02769	2.3
103.61274	2.2
109.02950	2.3
113.02457	56.1
114.02808	2.0
119.03482	17.3
119.05025	3.3
125.02426	4.2
129.01917	4.0
131.03491	9.1
133.02953	2.8
133.06549	2.2
135.04533	5.0
137.02513	3.2
139.04013	7.5
140.14026	2.1
143.03520	10.8
145.02914	3.4
149.04576	12.8
161.02484	4.7
161.04575	34.6
162.04852	2.7
163.04021	2.8
165.01923	7.3
177.01891	2.3
179.03412	2.5
179.05658	9.9
190.41985	1.8
190.52567	2.0
203.05591	7.6
204.05988	2.6
221.06650	6.9
265.07324	2.7
269.01764	1.9
269.04501	2.9
313.16571	11.9
314.16818	2.7
331.17715	21.7
371.20883	3.6
373.13812	3.8
373.18640	75.7
374.18951	6.9
387.09537	9.6
413.21899	12.7
533.44061	2.2
897.66351	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	875.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	1.2
71.01383	6.7
71.05021	3.3
72.99297	0.8
73.02946	3.1
77.03991	0.9
83.01384	2.0
85.02959	2.2
89.02435	3.8
93.03470	2.7
95.01392	0.9
95.05025	3.1
97.02958	13.3
97.03557	1.0
101.02452	4.6
108.02211	0.6
109.02956	9.6
113.02447	2.9
116.05060	12.8
117.03468	5.0
118.03004	1.3
119.03513	1.5
119.05030	22.1
120.05381	1.4
121.02970	6.3
122.93851	0.5
123.00876	1.0
123.04465	0.5
125.02503	0.5
132.05823	1.1
133.02942	1.0
133.06599	5.5
135.04517	1.4
137.02451	24.1
138.02824	0.9
139.04013	76.0
140.04370	2.5
145.02948	28.4
146.02356	3.6
146.03380	1.3
147.04538	0.9
149.04526	0.7
150.01939	0.9
152.01123	0.6
153.01945	24.6
154.02277	1.1
159.04510	0.6
161.02460	0.9
161.04564	1.8
161.06070	13.7
162.06454	0.8
163.00319	0.9
163.04019	22.8
164.04404	1.1
165.01929	89.7
166.02245	3.5
177.01961	0.9
177.05534	3.1
178.05081	3.4
179.03506	0.6
179.05673	0.8
183.02980	5.6
187.03976	1.6
195.02983	1.7
205.05043	15.7
206.05409	1.0
207.02922	0.7
235.06105	12.8
236.06453	0.9
263.98199	0.6
265.07166	26.8
266.07529	1.9
269.04553	1.1
295.10901	1.8
299.05524	1.2
301.03479	1.6
325.09293	14.5
345.08142	0.7
357.08279	1.8
369.08325	3.9
373.18738	1.1
387.09317	100.0
388.09692	11.5
395.06125	1.6
401.08652	2.5
413.21603	0.6
414.44586	0.5
461.10977	3.9
462.10776	0.6
505.09958	6.0
523.10870	6.3
524.11169	1.4
602.02643	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	875.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.9
69.38289	3.9
71.01398	3.3
71.05013	3.4
72.99301	0.6
77.03963	0.9
83.01389	1.8
85.02946	0.9
89.02433	2.6
93.03465	3.1
95.01394	0.6
95.05009	2.7
97.02953	12.5
98.19826	0.7
101.02453	2.4
109.02951	10.3
109.04847	0.5
110.03222	0.5
113.02456	2.3
117.03466	6.3
119.05032	40.3
120.05374	2.0
121.02942	7.7
123.04509	1.0
131.05029	0.6
132.05841	1.5
133.02930	0.8
133.06607	7.8
134.03755	0.8
134.06937	0.5
135.04503	1.9
137.02449	23.8
138.02797	1.0
139.04012	68.2
140.04352	2.3
145.02953	42.0
146.03297	2.3
147.04497	0.7
152.03526	0.6
153.01938	26.1
154.02292	0.7
159.04488	1.0
161.02475	2.5
161.06087	22.7
162.03009	0.6
162.06464	1.4
163.00371	1.5
163.04015	44.9
164.04391	2.6
165.01927	85.6
166.02299	3.6
177.01944	1.3
177.05534	3.9
179.03499	0.9
183.02986	5.9
187.03993	2.3
191.07045	0.7
195.03021	2.2
205.05054	26.1
206.05391	2.0
207.02965	1.0
233.63402	0.5
235.06116	24.7
236.06465	1.5
244.68127	0.5
262.87619	0.7
265.07156	44.3
266.07462	4.3
269.04462	1.2
299.05588	6.0
301.03555	2.3
305.00156	0.7
307.08157	1.4
325.09271	22.8
326.09747	2.4
335.01987	0.9
341.06332	0.7
345.08420	0.6
357.08185	0.9
369.08377	3.7
371.07864	2.0
387.09311	100.0
388.09644	10.7
395.06113	1.6
401.08768	10.0
402.09033	1.2
443.09872	0.9
461.10846	7.2
462.11423	0.8
505.09885	7.9
506.10315	0.6
523.10846	6.3
524.11273	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	873.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	1.2
61.98829	1.0
63.02394	1.0
65.00330	0.9
71.66154	0.9
72.99309	1.0
80.33379	0.6
80.93357	0.6
83.01355	0.8
95.31384	0.6
96.95953	0.8
101.02409	0.5
107.01379	2.4
113.51593	0.5
117.03461	8.8
119.08673	0.9
121.02940	0.8
133.02962	1.2
135.04486	1.6
149.02451	5.4
150.06857	1.1
151.00385	4.6
154.42703	0.6
159.04544	1.6
161.02422	3.7
179.03432	1.3
179.10637	0.6
181.06595	1.2
181.10199	1.0
183.04510	0.7
183.11674	0.9
201.05525	1.1
225.05481	2.1
227.03522	1.1
255.17593	1.7
265.04990	0.7
269.04541	98.4
270.04889	6.6
281.04465	0.7
301.74902	0.6
309.04132	1.8
325.10123	0.6
339.21521	1.0
351.21124	0.7
353.22742	2.5
355.24301	2.7
360.73688	0.7
369.22107	1.5
369.26117	1.3
371.27396	4.9
372.27643	0.9
373.25201	1.2
374.12372	0.6
385.25372	4.3
387.22849	1.4
387.24542	0.8
387.27402	3.7
389.28656	2.3
403.26428	12.6
404.26724	2.1
405.27856	2.5
406.28094	0.7
419.29694	0.7
421.27573	2.5
423.28854	2.6
433.27213	1.1
435.28903	1.8
437.30594	21.3
438.30991	2.7
439.28650	2.5
447.25574	1.1
451.28314	0.9
453.29861	1.9
455.31656	38.2
456.32016	5.8
469.29599	20.4
469.35101	0.6
470.30130	3.0
481.29700	2.3
487.30542	1.3
499.30673	100.0
500.30933	16.1
513.28381	2.5
517.31720	34.2
518.31982	6.3
559.32758	2.5
669.38464	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	871.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99296	1.9
61.98832	4.0
67.22243	0.5
70.28050	0.6
70.29557	1.2
70.29920	1.2
71.01390	7.2
71.62119	0.6
72.99298	2.1
73.02925	1.0
83.01375	1.2
85.02954	3.6
87.00847	0.7
88.98804	12.6
89.02444	5.2
89.71105	0.5
95.01387	0.9
96.96037	0.9
98.20547	0.7
101.02437	10.7
101.10800	0.5
109.02925	1.5
113.02450	8.7
119.03500	8.3
119.04931	0.6
119.53606	0.5
123.04511	0.7
125.02554	0.6
126.90472	1.0
131.03520	0.7
133.02956	2.6
134.03593	0.6
135.04532	5.3
143.03459	1.9
145.02907	1.1
161.02496	7.7
161.04553	11.6
162.02751	1.0
163.03964	0.7
179.03470	2.2
179.05579	2.1
197.04518	1.4
211.07555	0.7
221.06624	1.7
263.07660	0.7
267.06598	1.3
311.05554	0.6
323.09906	0.6
487.34277	100.0
488.34610	18.0
529.35101	4.4
530.35614	0.9
559.36090	1.5
610.09778	0.6
632.02435	0.6
649.39453	6.9
650.39917	1.7
691.40607	5.0
692.41632	0.8
733.41785	1.3
737.08862	0.6
811.45099	5.3
812.45453	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	870.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
66.18955	0.2
81.62708	0.2
110.88328	0.2
120.51765	0.2
146.49826	0.2
345.71103	0.2
372.28470	0.2
388.99237	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	871.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65816	0.4
70.76075	0.3
71.01385	4.1
71.63972	0.4
73.02945	0.8
75.00877	0.4
83.01382	1.1
85.02967	1.5
87.00884	0.6
89.02471	0.4
93.03458	73.2
94.03803	2.3
95.01413	0.6
96.99333	0.5
101.02444	3.7
108.02169	0.4
113.02464	2.2
119.05019	0.5
119.17394	0.3
121.02962	0.7
135.04529	0.7
136.01678	0.8
137.02444	95.8
138.02788	3.4
147.04498	1.0
151.04007	0.7
161.02443	1.2
161.04448	0.5
174.48347	0.4
177.94147	0.4
179.03467	0.8
191.03520	1.0
201.04031	0.6
209.04585	0.5
221.04509	0.5
230.06560	0.6
281.06662	29.1
282.06979	1.8
419.09821	100.0
420.10147	12.2
490.30322	1.4
620.59241	0.4
629.14954	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	869.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	20.9
64.05614	2.7
67.40575	2.5
69.30810	19.8
69.31227	5.9
71.01383	86.8
72.99290	8.8
73.02950	23.4
81.82381	2.6
83.01395	18.1
85.02959	43.1
87.00890	4.0
88.98771	3.6
89.02447	19.6
95.01369	11.1
96.96008	5.9
97.02945	7.6
99.00869	9.3
101.02442	52.3
109.02979	5.8
109.77131	3.2
111.00889	2.8
113.02457	37.1
119.03513	6.9
119.05033	8.6
125.02419	5.3
130.86447	2.7
133.02939	12.3
134.06088	7.3
135.04514	22.8
137.02473	5.4
141.26920	3.1
143.03477	5.8
150.03180	3.0
159.02899	4.0
161.02457	30.1
161.04523	17.1
162.02782	4.8
163.04001	4.6
167.31137	2.8
179.03491	10.0
201.69702	3.0
221.06499	3.5
266.10431	2.7
267.06580	4.2
295.10931	5.9
307.10733	5.1
400.16476	3.2
411.35049	2.7
459.34827	6.4
502.19742	12.3
546.18646	33.8
578.21405	15.3
621.40485	6.6
663.41284	6.3
664.40546	3.0
669.25446	7.1
683.27173	4.8
765.44281	22.3
766.45111	6.3
783.45276	63.3
784.45667	18.0
825.46503	100.0
826.46674	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93965	0.1
61.98831	100.0
62.98536	0.2
62.99264	0.1
66.35786	0.1
67.91424	0.1
95.97875	0.1
107.67425	0.1
129.84952	0.1
159.83919	0.1
205.56552	0.1
211.13448	0.2
277.21710	0.3
294.21460	0.1
354.44421	0.1
712.57928	0.1
762.01483	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	868.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98521	0.1
63.54093	0.1
65.60322	0.1
71.40747	0.2
117.50657	0.1
154.59821	0.1
221.18991	0.1
234.16762	0.1
277.87173	0.1
486.12207	0.1
506.20966	0.1
547.45032	0.1
633.82916	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	869.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	20.9
64.05614	2.7
67.40575	2.5
69.30810	19.8
69.31227	5.9
71.01383	86.8
72.99290	8.8
73.02950	23.4
81.82381	2.6
83.01395	18.1
85.02959	43.1
87.00890	4.0
88.98771	3.6
89.02447	19.6
95.01369	11.1
96.96008	5.9
97.02945	7.6
99.00869	9.3
101.02442	52.3
109.02979	5.8
109.77131	3.2
111.00889	2.8
113.02457	37.1
119.03513	6.9
119.05033	8.6
125.02419	5.3
130.86447	2.7
133.02939	12.3
134.06088	7.3
135.04514	22.8
137.02473	5.4
141.26920	3.1
143.03477	5.8
150.03180	3.0
159.02899	4.0
161.02457	30.1
161.04523	17.1
162.02782	4.8
163.04001	4.6
167.31137	2.8
179.03491	10.0
201.69702	3.0
221.06499	3.5
266.10431	2.7
267.06580	4.2
295.10931	5.9
307.10733	5.1
400.16476	3.2
411.35049	2.7
459.34827	6.4
502.19742	12.3
546.18646	33.8
578.21405	15.3
621.40485	6.6
663.41284	6.3
664.40546	3.0
669.25446	7.1
683.27173	4.8
765.44281	22.3
766.45111	6.3
783.45276	63.3
784.45667	18.0
825.46503	100.0
826.46674	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	11.1
70.56143	4.8
71.01387	16.4
72.99299	2.0
73.02937	4.0
85.02948	3.5
87.00872	6.7
89.02442	19.4
97.02963	3.0
98.20580	1.7
99.00856	1.6
101.02439	12.2
113.02431	7.9
115.96563	1.6
119.03476	4.4
125.02477	8.0
125.09742	2.0
143.03429	2.0
159.75108	1.5
161.04523	2.5
171.10275	100.0
172.10594	5.1
179.05617	3.0
227.74756	1.5
235.08226	5.5
253.09242	3.6
255.23309	70.6
256.23740	8.6
277.21655	4.3
287.07797	4.2
293.21115	4.0
295.22742	9.2
305.08719	2.9
379.12451	20.3
397.13483	45.5
398.13684	3.9
415.14484	5.7
551.22955	3.4
569.24310	2.8
635.36890	3.2
636.15070	1.7
653.36993	5.2
685.81439	1.7
737.24152	1.6
777.67511	1.8
794.49274	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	866.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.61326	0.2
72.66422	0.2
76.81485	0.2
78.95942	0.3
81.25637	0.3
89.02465	0.3
155.40860	0.2
172.79376	0.2
291.19687	0.4
419.02850	0.2
424.14188	0.3
585.86414	0.2
699.98132	0.3
864.22699	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	866.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.81254	0.6
77.29684	0.3
78.95918	0.5
79.26001	0.3
80.77831	0.2
85.37510	0.3
128.34430	0.3
155.54427	0.3
164.11899	0.3
168.72534	0.3
261.73734	0.3
367.90601	0.3
866.51740	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	867.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09538	0.6
62.62911	0.5
69.03453	0.6
71.01358	0.6
72.99309	75.1
73.99648	0.9
84.10404	0.5
87.00896	0.6
87.52560	0.5
93.03439	0.7
97.06598	6.5
99.91245	0.6
108.02194	0.9
109.02958	4.9
121.02955	5.3
123.04530	4.2
129.73723	0.6
132.02127	0.9
133.02957	23.3
134.03810	3.3
135.04530	5.8
137.02466	2.7
137.13705	0.5
139.03996	1.3
146.03761	0.9
147.04538	1.4
148.05292	4.1
149.06096	0.7
150.03246	1.3
151.03967	2.0
152.01160	0.7
153.01936	4.0
159.04559	1.1
159.08147	1.1
160.05318	0.9
161.02444	88.4
162.02779	5.1
162.06873	0.7
163.07660	3.1
165.09236	0.7
172.05316	1.1
173.06029	2.9
174.06808	1.2
175.03976	1.1
175.07617	3.9
176.04791	2.0
178.02718	6.5
179.03458	4.7
187.07643	22.8
188.07965	2.0
190.06352	5.2
191.10782	1.0
197.04535	0.8
201.05626	0.9
201.09200	2.2
202.06334	3.7
203.07288	0.6
203.10753	2.2
205.08708	4.1
213.09218	5.0
214.09705	0.7
215.07111	2.0
216.07814	0.9
219.10252	20.5
220.10625	1.1
230.68221	0.6
231.10260	15.1
232.10599	1.6
246.05139	0.8
247.09718	0.8
249.11452	1.4
257.08264	1.1
275.09241	10.5
276.09680	1.1
293.10306	100.0
294.10678	10.2
311.11420	0.8
319.08237	2.3
338.74127	0.6
359.07611	0.8
365.12024	0.6
411.12991	6.0
412.75491	0.6
417.11313	0.6
455.13461	65.6
456.13809	10.7
457.13989	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	865.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	14.2
63.26367	9.6
63.67846	8.3
71.01386	22.2
71.63168	10.8
71.63572	11.1
89.02438	26.0
101.02468	26.4
101.60158	9.7
112.63599	10.2
116.92864	16.9
141.79576	9.1
146.80705	10.0
148.31398	9.4
171.10307	100.0
179.20804	10.7
207.10162	11.6
209.11823	17.3
277.21698	65.0
366.84305	11.1
379.12772	19.6
397.13550	69.5
415.15076	15.6
530.58734	11.9
650.38849	13.5
694.09912	11.2
865.44049	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	865.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01706	15.0
66.75574	4.4
68.03757	3.5
70.20626	7.9
70.21043	12.3
71.01383	100.0
72.94613	3.8
72.99325	6.7
73.02952	55.6
74.03285	3.8
81.03458	4.1
83.01395	20.8
85.02951	44.7
89.02447	21.7
95.01401	9.9
97.02956	5.6
99.00886	12.3
101.02447	82.6
111.00857	3.5
113.02447	51.6
119.03473	10.9
123.08184	22.1
131.03525	4.9
135.04483	9.9
135.73503	3.8
137.02425	3.6
137.09721	11.2
143.03523	11.0
143.10732	8.6
145.02946	5.5
149.04497	11.1
152.08307	4.6
153.01923	7.4
159.02965	4.5
161.02448	10.4
161.04549	45.6
163.11302	20.5
168.04224	6.4
179.03548	4.0
183.06514	4.9
189.12805	31.5
203.05585	8.7
205.12320	5.3
207.13890	44.2
208.14226	5.5
221.06689	8.2
225.14955	13.7
239.09142	5.3
287.14990	9.1
305.16043	61.3
306.16388	6.2
320.96744	4.0
331.45419	3.5
347.17090	95.1
348.17218	9.1
367.17474	6.0
368.17801	7.2
369.18967	10.2
373.71777	3.6
385.11151	5.0
387.20212	11.4
427.19650	5.3
429.21469	89.0
430.21463	10.5
473.16830	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	865.334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06525	0.2
65.96793	0.2
69.40031	0.6
69.40454	1.0
71.01376	1.8
73.02943	0.6
83.01381	0.4
85.02955	0.7
89.02435	0.4
95.01405	0.2
98.19884	0.3
99.00891	0.3
101.02444	1.0
108.02179	0.4
109.04012	0.2
113.02459	0.6
118.92405	0.2
119.05038	0.5
133.06686	0.2
135.04526	1.9
145.02960	1.5
146.03737	47.6
147.04036	2.1
161.04611	0.6
161.06070	16.0
162.06392	1.2
162.85123	0.2
163.04024	1.4
164.04791	32.2
165.05121	2.1
179.07130	100.0
180.07471	5.8
205.05016	0.3
252.81747	0.2
268.83542	0.2
295.75308	0.3
305.15982	2.2
372.47424	0.2
387.16440	0.4
388.17184	0.3
415.12897	0.3
421.25497	0.2
428.92108	0.2
437.20245	2.6
494.49780	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	865.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05213	0.7
66.60825	0.8
70.34381	1.6
70.34772	1.7
71.01385	1.0
72.99311	31.9
72.99729	1.7
85.02962	1.4
89.56713	0.8
91.84823	0.8
109.02968	1.8
113.99379	0.8
119.05038	0.9
122.03745	3.4
122.29736	0.7
123.04522	13.0
131.17015	0.7
132.02119	4.2
133.02960	25.8
134.03763	4.7
135.04529	53.4
136.04880	2.2
145.03006	1.4
151.04024	1.0
154.72720	0.8
160.01645	12.8
161.02444	100.0
162.02760	4.8
175.04010	15.1
176.04320	0.8
179.03503	25.8
180.03880	1.2
193.05016	2.6
197.04553	44.9
198.04839	2.0
227.03436	0.9
228.04225	0.9
265.05020	0.7
311.05627	3.7
323.07776	1.0
337.09332	1.8
341.08746	3.0
359.09625	30.2
360.10043	3.0
396.25424	0.9
424.41498	0.8
461.08490	1.3
461.14520	14.0
462.14893	1.9
505.13574	30.6
505.26193	2.7
506.13641	4.7
772.59906	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	863.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	1.1
65.00327	0.7
67.01904	0.3
68.99808	0.3
71.01385	4.8
72.85791	0.2
72.99309	1.1
73.02943	0.8
75.00877	2.6
76.79826	0.2
78.30038	0.2
83.01380	0.5
85.02950	11.7
85.35345	0.2
85.42548	0.2
86.03269	0.3
87.00880	1.8
87.97449	0.2
89.02431	1.2
90.26622	0.2
93.03465	0.4
95.01385	3.7
98.20706	0.6
99.00880	4.0
101.02433	1.0
103.00390	1.9
107.01410	1.3
111.00869	0.2
113.02450	25.6
114.02784	0.6
115.00378	1.1
117.01965	1.4
117.03462	3.8
121.02951	0.4
129.01959	1.3
133.02959	0.4
135.04495	0.4
149.02425	1.5
151.00378	1.4
152.70529	0.2
157.01404	0.6
159.04507	1.3
161.02464	1.1
161.04533	0.4
169.06537	0.5
175.02478	13.8
176.02792	0.6
180.85385	0.3
181.06512	0.6
183.04474	0.9
197.06073	0.9
200.21846	0.2
201.05573	0.7
225.05566	1.6
227.03555	0.6
235.85312	0.3
269.04532	100.0
270.04880	8.7
311.05429	0.3
331.17514	0.5
373.18637	1.7
445.07736	28.5
446.08109	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	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	1.3
66.04065	0.6
69.03448	1.4
70.30741	0.4
71.01385	15.1
72.99303	1.0
73.02956	3.0
80.02676	1.1
80.16868	0.5
81.03448	1.9
83.01381	1.6
83.05025	5.3
84.02161	0.7
85.02968	4.1
87.00861	4.2
89.02448	13.4
95.01402	1.3
95.05032	0.7
97.02914	2.4
99.00875	0.9
101.02445	11.3
113.02451	7.1
119.03513	3.5
125.02448	6.4
125.06116	0.5
131.03491	0.6
139.03979	0.7
141.01801	0.9
143.03491	1.9
161.04616	2.8
163.11295	3.7
165.12866	1.6
179.05551	3.5
191.10857	0.9
199.06087	0.8
209.11821	100.0
210.12178	7.9
217.07231	1.0
221.06665	1.0
227.12883	12.2
228.13174	0.9
235.08200	4.9
245.06575	0.6
253.09042	0.6
255.23285	56.0
256.23578	5.2
287.07730	1.7
305.08810	1.4
323.10022	1.2
347.71838	0.5
379.12448	8.2
397.13498	41.1
398.13895	3.4
415.14587	8.2
416.14996	0.9
523.82074	0.6
607.26483	0.8
642.30560	0.6
653.37854	1.6
707.94763	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	861.231
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99837	0.5
69.03452	3.1
71.00118	1.0
71.01382	4.8
73.02946	1.7
82.94582	0.5
83.01389	1.4
85.02969	2.3
89.02447	2.6
90.88255	0.5
93.03449	1.2
95.01376	1.7
97.02954	17.8
98.96709	0.5
99.00938	0.5
99.21843	0.4
99.22468	0.5
101.02452	5.5
107.01389	0.6
108.98284	0.4
109.02955	1.2
111.00896	0.4
113.02454	3.7
114.09869	0.4
117.03482	4.2
119.03595	1.2
119.05024	32.2
120.05344	1.5
121.02915	0.7
125.02448	100.0
126.02813	2.9
132.05820	1.2
133.06602	4.9
135.04520	1.1
140.49255	0.5
143.03447	0.9
145.02954	19.0
146.03311	0.6
158.03738	0.4
159.04523	1.4
161.02481	0.7
161.04572	4.4
161.06085	9.1
162.03020	0.5
162.06396	0.6
163.04005	45.3
164.04344	2.5
173.06062	0.5
174.72197	0.4
175.49991	0.4
177.05565	0.7
179.03487	1.3
179.05591	1.6
187.04001	4.6
191.07033	0.6
203.03613	0.6
203.05617	1.6
205.05052	12.2
206.05397	0.7
217.05067	1.7
221.06567	0.5
235.06155	3.5
247.06079	0.5
265.07169	4.0
310.77005	0.4
325.09283	18.8
326.09509	2.3
329.08807	5.2
357.06143	1.1
367.10269	3.9
381.10345	0.4
397.11346	0.7
409.11392	0.5
427.12445	1.6
466.37729	0.5
487.14514	9.8
488.14920	1.7
503.14310	0.7
697.04926	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	861.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01715	1.0
69.03451	1.4
71.01383	30.2
71.62262	0.6
72.01708	0.7
72.99304	1.6
73.02949	22.9
74.03279	0.5
75.00842	0.7
81.03461	0.7
83.01387	7.5
85.02953	6.9
87.00875	1.0
89.02443	14.7
95.01392	2.2
101.02448	32.3
102.02795	0.5
109.02964	0.9
112.42862	0.5
113.02450	18.5
114.02779	0.6
119.03501	6.7
119.04997	0.6
125.02411	1.0
131.03506	3.7
135.04575	0.7
137.09714	0.5
138.22820	0.5
143.03462	3.7
145.02931	1.1
147.03140	0.5
147.12944	0.6
149.04562	9.2
151.03931	0.6
155.03506	1.1
161.02501	0.8
161.04562	13.2
163.11290	4.0
203.05586	1.5
207.10266	9.3
208.10626	1.2
221.06651	9.8
373.91165	0.5
387.16592	100.0
388.16998	11.7
429.21338	4.2
450.59946	0.6
473.16296	0.8
489.19461	0.6
528.45471	0.5
657.47015	0.6
681.91064	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	859.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01724	6.2
62.27871	1.2
68.87225	1.1
71.01384	45.1
72.99312	3.0
73.02946	20.1
83.01397	9.9
85.02946	21.7
87.00896	1.5
89.02449	5.6
89.53493	1.3
93.03467	3.1
95.01395	4.0
99.00871	8.5
101.02445	39.9
107.05074	1.3
109.02937	4.5
113.02453	19.8
119.03529	1.4
120.72350	1.2
121.02937	2.3
123.04609	1.8
125.02430	2.2
131.03517	1.4
135.04512	4.6
137.02435	6.5
138.01950	7.4
143.03552	1.5
145.02986	2.0
149.02498	5.7
149.04584	1.4
159.02991	3.1
161.02487	1.7
161.04558	23.3
162.04951	1.7
164.01180	2.3
164.04794	74.4
165.01964	2.7
165.05124	4.5
167.03459	4.4
175.04008	1.7
177.01976	2.0
179.03604	3.5
179.07129	100.0
180.07545	6.4
192.00653	1.3
193.01366	3.5
197.98672	1.3
209.08295	1.4
250.74110	1.2
267.03076	5.7
268.03271	1.2
269.10297	53.0
270.10715	3.3
285.04068	4.8
303.05142	2.2
311.11383	23.8
329.99225	1.3
341.12405	55.2
342.12692	6.7
361.97897	1.3
427.19583	3.2
489.10275	1.6
501.10355	3.1
503.15497	2.9
503.21994	1.5
611.13947	2.8
834.53168	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	859.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	30.4
69.51247	32.7
69.51655	11.2
71.01379	53.3
73.02974	14.6
83.01429	6.0
85.02951	24.6
89.02447	12.7
101.02426	35.8
113.02486	30.7
129.09283	6.5
161.02446	11.3
161.04611	10.8
244.02332	6.1
246.90634	6.1
584.43787	8.1
593.40436	8.0
611.41528	9.9
628.94543	6.5
653.42316	21.3
773.46759	21.0
774.45947	8.6
815.47955	100.0
816.48639	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	859.288
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	0.6
68.33393	0.4
68.99807	0.9
69.03457	0.5
69.60282	0.4
70.04314	2.1
71.01383	8.1
72.37553	0.4
72.99294	0.6
73.02937	3.3
75.00867	2.0
78.37311	0.5
83.01392	1.5
83.92231	0.5
85.02952	4.9
87.00887	1.2
89.02451	1.6
93.03458	52.0
94.03810	2.2
95.01392	1.1
98.19887	0.5
99.00884	1.7
101.02460	3.1
102.88186	0.4
113.02436	6.1
113.06105	0.7
115.98601	0.4
117.01987	0.6
121.02941	0.6
125.80481	0.4
129.01982	0.5
130.02362	0.4
135.04489	0.5
137.02446	100.0
138.02776	4.0
138.05815	0.6
138.06844	2.0
139.07675	0.8
151.07681	2.1
152.08420	4.5
153.09224	12.7
154.09576	0.6
161.04567	1.6
175.02510	0.5
179.05679	0.8
187.11322	0.5
205.12355	4.4
206.12701	0.7
221.30301	0.5
223.13370	2.8
224.42979	0.4
249.06143	26.7
250.06549	1.3
267.02954	0.5
267.07172	4.2
268.07523	0.6
285.03830	0.9
367.17609	19.6
368.17972	2.8
369.18210	0.5
385.11386	5.6
385.18802	2.5
386.11899	0.8
387.09311	36.4
388.09750	2.9
427.19690	13.9
428.20096	1.9
429.21097	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	859.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01906	8.3
71.01385	8.3
73.02962	2.4
81.03472	7.0
83.01395	6.3
85.02965	2.3
89.02462	2.2
93.03444	3.7
95.05029	4.8
97.02957	3.0
99.04503	5.5
101.02419	2.0
105.03439	3.0
107.01317	2.3
108.02176	4.7
108.99719	1.7
109.02969	39.0
111.00943	3.3
113.02435	4.7
117.03419	4.2
119.05032	10.5
120.02155	2.4
121.02969	12.6
123.00923	2.5
123.04512	6.0
125.02452	29.0
133.02980	3.8
133.06595	4.0
135.00896	3.6
135.04498	7.9
136.07668	3.2
137.02460	28.6
138.03210	2.0
138.61505	1.9
139.03975	4.3
145.02963	24.8
147.04550	3.8
147.09920	1.9
148.01575	2.5
149.02444	73.3
150.02765	3.9
151.03979	2.4
161.02475	10.7
161.06067	8.5
163.00362	7.7
163.04005	15.2
163.99867	2.7
164.01163	33.8
165.01930	32.0
166.02605	4.8
166.55849	1.7
167.03500	35.7
171.04446	2.5
174.03233	2.2
175.03987	17.1
176.01122	2.9
177.01891	7.0
177.05573	2.5
179.03485	5.0
187.03995	3.5
190.99858	3.9
191.03493	4.2
192.00650	33.8
193.01411	43.7
194.01723	2.6
195.04482	3.1
198.03146	2.5
199.03978	13.8
200.04897	2.1
201.01912	6.5
205.05038	5.7
211.04015	4.5
212.04851	2.6
213.05585	3.1
215.03421	2.2
217.05072	15.5
223.03986	6.6
226.02747	2.3
235.06091	2.8
239.03529	4.1
240.04132	2.9
241.05034	19.9
243.03014	6.1
256.03830	1.9
257.04510	5.6
259.05988	1.9
265.07294	3.6
267.02988	81.7
268.03271	9.3
273.23810	2.0
284.03220	15.6
285.04056	100.0
286.04309	9.6
303.05121	16.6
303.13388	2.3
307.08560	2.6
309.03986	3.7
313.07260	2.5
325.09186	3.5
329.08875	4.6
349.18625	3.2
397.07651	3.0
429.21375	3.0
447.09158	2.3
465.10416	5.1
475.12604	17.0
485.10864	9.4
489.10379	17.0
501.10425	47.9
502.10788	8.6
507.11475	20.6
508.11633	3.3
593.13000	17.4
594.13361	3.4
611.14099	42.5
612.14398	8.1
705.15430	2.7
815.20062	12.6
816.20227	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	857.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01737	2.0
63.03190	1.9
63.33282	1.8
69.03439	4.1
69.42695	13.9
71.01389	71.7
72.99308	4.9
73.02950	100.0
74.72276	2.2
75.00863	1.8
83.01391	27.9
85.02945	12.0
87.00883	3.6
89.02449	14.6
93.03458	5.6
95.01388	5.1
101.02449	84.3
102.02782	2.1
113.02461	38.4
119.03499	11.0
125.02431	4.7
131.03494	7.9
137.02426	7.0
143.03482	11.5
147.04521	5.8
149.04564	23.5
155.03439	2.8
160.44560	2.0
161.04570	41.6
203.05641	5.0
221.06656	15.6
225.11313	6.7
241.42795	2.2
269.08084	3.1
410.37939	2.3
574.52380	2.1
813.09100	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	857.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.3
64.59290	0.5
68.99811	0.5
69.03449	1.0
71.01384	14.2
71.63213	0.5
72.99309	1.2
73.02953	2.3
80.02682	0.9
81.03465	2.8
83.01394	1.8
83.05019	5.9
85.02944	2.7
85.13885	0.4
87.00862	4.1
89.02445	11.5
95.01393	1.3
95.05032	0.9
97.02943	2.2
99.00866	0.7
101.02448	10.2
104.73964	0.5
109.02916	0.4
111.04529	0.5
113.02441	5.1
116.92862	1.8
119.03492	2.8
125.02450	4.7
125.06106	0.5
131.03497	0.9
133.03011	0.4
135.04573	0.5
135.08203	0.7
137.02493	0.6
143.03499	1.6
161.02429	1.2
161.04530	2.8
163.11284	4.5
165.12799	2.1
167.03461	0.7
179.03458	0.7
179.05595	3.4
181.12308	0.9
191.10818	1.3
199.06187	0.7
199.09708	0.7
209.11826	100.0
210.12134	6.2
217.07292	0.8
221.06607	1.1
227.12886	9.8
235.08189	5.3
237.66833	0.4
249.18587	36.0
250.18913	3.7
251.03413	0.4
251.12953	0.5
253.09259	1.2
263.07809	0.6
277.21634	0.7
287.07697	1.4
305.08908	1.5
323.09790	0.9
379.12448	5.2
397.13504	28.1
398.13873	2.4
415.14624	9.0
416.14423	0.9
487.34164	1.1
589.25092	0.7
607.26025	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	857.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01716	2.2
64.25970	1.6
68.07745	1.8
69.03445	6.0
71.01386	82.4
72.99299	4.9
73.02947	100.0
75.00872	4.1
81.03425	1.9
83.01394	31.1
85.02957	15.7
87.00858	2.8
89.02436	18.9
95.01373	5.9
97.02924	3.2
99.00859	2.2
100.33058	1.9
101.02444	94.5
109.02939	2.2
113.01679	3.2
113.02450	46.0
119.03513	16.2
119.05032	2.3
121.02981	3.0
125.02387	3.3
131.03522	13.4
135.04494	4.3
137.02434	3.3
143.03497	12.7
145.02908	2.4
146.03714	4.1
147.04459	2.7
149.04564	25.7
153.09128	2.2
155.03551	2.9
160.44675	2.1
161.02466	3.7
161.04568	47.2
161.05957	2.5
163.03996	4.8
179.07127	6.7
203.05620	4.0
221.06651	20.9
225.11215	3.5
265.06970	1.9
355.26190	1.7
371.09705	3.0
381.88763	2.6
385.18661	3.1
570.81940	2.0
677.75586	1.9
732.98798	1.9
741.93341	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	856.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01719	5.4
60.67919	2.9
67.01923	3.1
68.01418	25.1
69.66689	3.0
70.57362	8.4
71.01385	74.4
71.05021	6.2
73.02951	20.2
75.00883	2.8
83.01394	10.2
85.02956	38.6
87.00893	3.6
89.02454	10.2
89.43040	2.7
95.01409	4.4
97.02954	5.1
99.00883	8.8
101.02456	45.0
110.02494	17.1
113.02450	29.4
119.03449	3.6
119.05004	4.0
119.46063	2.4
120.65576	2.6
135.04527	15.3
135.82124	3.1
145.05212	3.4
147.04530	59.9
148.04938	3.5
150.18831	2.7
158.06064	8.8
159.02989	6.9
161.02467	4.8
161.04562	32.5
163.04024	3.2
186.05595	3.3
188.05617	4.5
189.05579	6.2
203.05618	25.9
230.06697	100.0
231.07025	8.4
276.08731	36.1
277.09140	3.1
294.09991	4.1
296.67200	3.3
336.10858	28.9
337.11215	3.9
338.97183	2.8
347.67484	3.0
371.20718	36.7
372.21014	4.2
389.21725	36.6
431.22882	95.2
432.23163	9.9
451.32932	5.0
519.33240	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	855.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	5.7
69.03467	3.3
71.01376	9.3
73.02962	1.7
83.01405	1.4
83.05091	1.2
85.02941	10.1
87.00868	1.2
88.98809	1.4
89.02458	6.0
96.96032	3.6
97.02943	5.3
97.06586	3.3
98.20673	1.7
101.02453	7.3
102.72794	1.1
111.08153	5.3
113.02451	5.0
119.03488	1.6
124.16398	1.0
125.09733	1.4
127.11300	3.3
133.02983	1.5
134.36084	1.1
135.04575	3.2
137.09731	3.9
153.84676	1.2
161.02483	3.0
161.04570	4.7
163.11322	1.1
165.12848	3.3
169.12274	1.7
171.10275	29.1
172.10596	1.4
181.12422	1.6
183.13892	4.5
185.11790	1.3
193.12428	1.4
193.16049	1.2
197.11836	27.0
199.13478	1.3
201.11441	2.2
209.11852	3.4
211.13387	18.7
221.11830	2.5
227.13017	2.6
229.14406	9.0
235.08211	9.8
239.12946	1.7
247.20633	2.1
253.09297	37.2
254.09720	1.6
273.18625	1.5
291.19656	30.0
291.22946	1.5
292.20016	2.4
293.21146	1.9
309.20703	92.7
309.93970	1.1
310.21088	9.7
322.11102	1.4
327.21759	100.0
328.22159	7.5
343.21475	2.0
487.34311	9.7
545.29730	5.3
563.30798	6.1
619.42249	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	855.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	0.3
71.01388	3.4
73.02952	2.7
81.03448	0.6
83.01386	0.6
85.02960	1.5
89.02454	0.8
93.03488	0.6
95.01398	0.8
96.09163	0.2
98.20708	0.5
101.02443	3.6
101.06066	2.6
108.02180	74.2
109.02991	16.9
110.03284	0.6
113.02477	2.1
119.03559	0.6
121.02954	1.0
123.00864	0.7
123.04518	0.9
125.02460	0.3
133.02959	0.9
135.00839	0.4
135.04541	0.6
137.09763	0.5
143.03535	0.5
147.04582	0.5
149.04582	0.9
151.04004	1.3
152.01157	48.6
153.01950	17.0
154.02330	0.6
161.02420	0.6
161.04581	1.5
163.03995	1.1
165.01978	0.8
187.11151	0.3
221.06705	0.6
221.16817	0.3
225.03716	0.3
229.32130	0.3
235.05255	0.3
264.04199	0.3
399.12952	100.0
400.13306	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	855.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02383	0.4
65.00330	0.9
71.01383	2.3
71.64907	0.5
72.99286	0.3
73.02949	0.5
75.00862	0.9
83.01387	0.3
85.02958	2.9
85.55189	0.4
87.00894	0.6
89.02428	0.6
90.36993	0.3
91.00824	0.3
95.01402	0.9
99.00875	0.9
101.02375	0.4
103.00391	0.3
107.01396	1.0
108.02168	0.8
109.02945	1.1
113.02454	2.4
115.00401	0.4
117.01961	0.7
121.02954	0.5
122.06025	0.3
133.02956	5.2
136.07622	0.4
137.02441	0.4
138.05603	0.4
147.04498	0.9
149.02435	1.5
151.00375	3.3
151.73128	0.3
152.01097	0.5
175.02596	0.5
175.03929	1.8
177.01855	0.5
184.82396	0.3
185.06097	0.7
198.03288	0.3
199.04027	1.5
201.01892	0.7
205.98436	0.3
213.05647	0.4
217.05011	1.0
220.70715	0.4
241.05028	0.9
242.97403	0.3
243.03027	0.4
260.02435	0.3
267.02750	0.3
284.03296	0.4
284.43817	0.3
285.04044	100.0
286.04391	10.0
297.04025	0.6
327.05014	1.1
357.06168	1.2
381.06024	0.4
399.07275	0.4
435.09241	1.4
461.07248	49.1
462.07578	6.2
463.07739	0.5
505.79062	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	854.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	15.8
71.01380	3.8
85.02940	2.3
96.96018	5.8
106.06619	10.6
113.02425	2.6
116.05095	4.2
122.06089	8.8
133.02902	2.9
134.06119	59.2
135.04489	2.7
140.05054	4.5
148.20604	2.2
150.33492	2.2
152.07278	11.4
152.08229	2.5
161.02440	6.3
168.04503	7.5
169.81038	2.2
171.10242	4.1
194.08290	3.0
200.07179	6.3
209.11740	5.2
251.12177	2.6
253.09254	5.5
276.28680	2.5
289.17978	6.0
291.19678	4.4
307.19278	3.6
308.19540	3.0
309.20764	8.6
325.20294	4.4
327.21857	14.6
342.12354	3.0
354.12515	5.6
357.14874	2.5
358.15442	5.7
367.09341	4.3
368.10199	3.6
368.14185	3.1
370.15503	10.1
376.84784	2.7
382.11859	6.4
382.16046	4.6
383.12567	11.2
394.11935	6.1
395.12799	2.5
398.15036	41.3
399.15384	5.5
409.14020	2.8
410.15131	21.9
411.15631	5.9
424.16739	4.0
430.17456	2.6
501.19623	3.3
502.19299	3.0
517.22363	5.6
530.19867	2.7
545.21863	14.8
563.22302	3.1
565.24463	5.5
577.24323	4.6
605.23993	22.5
606.24438	7.4
637.26556	23.0
638.26825	3.5
649.23053	58.4
650.23431	8.2
681.25635	100.0
682.26025	24.6
766.32233	2.6
768.30060	4.0
810.31299	30.8
811.31946	12.7
830.22913	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	855.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	2.9
63.67085	1.5
66.16671	1.5
66.95433	1.6
69.35596	5.6
69.36021	8.3
71.01392	8.2
72.99306	6.4
73.02923	2.2
75.00882	1.9
81.03424	1.9
83.01396	2.3
85.02949	4.0
88.42039	1.5
88.98827	2.2
89.02433	2.4
93.03440	2.9
95.01411	2.7
96.96006	3.8
101.02439	3.4
108.02174	62.9
109.02977	21.7
113.02424	4.1
113.64089	1.7
119.05030	2.9
123.04519	4.2
125.02408	2.3
132.02184	1.5
133.02960	8.2
135.03598	2.0
135.04536	25.0
136.04843	2.4
137.02483	3.6
143.03481	1.4
145.02988	3.2
147.04553	2.4
148.05257	2.8
149.02391	4.2
150.03229	3.5
151.03964	3.0
152.01158	48.4
153.01947	18.5
159.04443	1.4
161.02446	34.9
162.02756	4.4
163.03987	2.5
163.07666	4.1
177.01917	4.4
178.02660	1.5
179.03520	10.6
180.03870	1.6
192.04192	1.9
197.04567	6.4
207.06596	4.8
239.07129	8.1
267.06659	4.2
269.04453	3.7
283.06332	1.9
311.05545	4.1
313.06787	1.5
339.04889	2.1
359.07593	4.2
445.11389	100.0
446.11752	15.9
509.10608	2.4
563.34448	4.2
633.40088	1.8
657.42407	1.9
755.29816	1.6
811.33942	2.1
819.48206	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	853.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	5.7
71.01385	73.7
72.99305	5.7
73.02951	23.1
75.00889	1.6
83.01390	16.0
85.02953	42.5
87.00874	4.5
89.02464	11.8
95.01385	7.0
97.02946	4.2
98.19920	3.8
99.00900	7.3
101.02446	54.6
111.00842	2.2
112.01692	2.1
113.02448	31.6
119.03512	3.4
120.71738	1.1
125.02435	3.8
131.03525	1.5
135.04506	1.7
143.03470	3.5
159.02989	3.7
161.02441	2.9
161.04553	13.1
217.50540	1.2
221.06664	2.1
247.93689	1.2
284.48871	1.2
405.66068	1.3
539.37494	2.7
587.39575	2.1
605.40515	8.9
606.40802	2.5
647.41650	4.5
648.42407	1.3
749.44751	24.9
750.45343	5.4
767.45898	40.0
768.46198	11.6
809.46967	100.0
810.47192	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	3.7
73.02953	1.4
81.03459	1.3
85.02509	0.7
85.02948	3.7
95.01372	2.3
98.20643	1.8
101.02454	1.4
108.02179	41.6
109.02965	28.0
113.02440	1.5
121.02898	1.2
123.00871	1.5
123.04500	1.6
123.75412	0.6
135.04517	0.9
151.04002	1.1
152.01154	48.1
153.01944	18.2
161.04695	0.8
163.04066	1.1
165.01942	1.2
167.03496	7.9
187.07773	0.6
281.16931	0.7
297.06183	0.7
315.07147	4.9
357.08374	4.6
358.08609	0.7
387.16623	3.7
397.11438	2.3
415.12448	100.0
415.77579	0.7
416.12814	12.6
425.11966	0.7
779.11627	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	853.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	6.2
68.57880	1.1
69.03461	2.0
71.01383	88.5
71.11837	2.5
72.01712	1.5
72.99308	5.0
73.02948	24.8
75.00868	1.5
81.03458	1.6
83.01392	21.6
84.02145	1.4
85.02953	49.1
86.03294	1.4
87.00877	5.3
89.02450	14.4
90.31327	1.2
95.01389	9.2
96.96005	2.8
97.02950	5.8
99.00898	11.0
101.02443	64.4
102.02789	2.7
111.00863	2.4
112.01690	2.8
113.02453	37.1
119.03497	3.5
125.02454	8.9
129.01947	1.9
131.03482	2.5
135.04561	1.5
137.02483	1.4
143.03552	7.3
159.02943	3.9
161.02467	2.7
161.04556	11.7
167.72946	1.2
186.98746	1.3
221.06561	2.2
289.18033	3.3
327.21805	2.8
443.35211	1.9
539.37341	3.6
551.37244	1.4
587.39325	3.6
605.40399	8.2
647.41907	5.6
749.44794	32.9
750.44910	9.1
767.45837	100.0
768.46039	27.2
809.46942	87.6
810.47278	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	852.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98531	0.2
64.83821	0.1
69.15009	0.1
70.86507	0.2
132.00737	0.1
199.44542	0.1
251.59673	0.1
270.20984	0.1
306.06583	0.1
571.62799	0.1
576.92725	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	853.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01725	2.5
60.72948	1.4
69.03474	3.8
69.35843	1.4
69.65996	10.0
71.01385	75.6
72.99308	3.9
73.02953	100.0
83.01385	26.8
85.02954	16.3
89.02451	5.7
95.01400	2.4
97.02966	4.2
99.00896	4.5
101.02448	52.6
101.46389	1.4
102.02779	1.9
109.02963	2.0
113.02445	23.5
115.05556	7.6
116.16996	1.4
117.03461	5.2
119.03469	1.5
119.05018	1.9
125.02390	7.0
130.92673	1.4
131.03548	2.2
131.05034	17.0
133.06596	15.0
135.04527	2.2
135.46812	1.3
143.03519	11.5
143.05008	1.3
145.06622	1.7
147.04527	95.2
148.04889	3.5
155.03516	4.9
159.03053	1.8
159.04503	2.3
161.02446	4.6
161.04575	8.6
161.06084	41.4
162.06351	3.3
173.06111	1.8
189.05577	55.9
190.05891	2.4
201.05731	2.1
203.05620	12.3
209.15495	4.6
211.36346	1.5
219.06648	3.7
243.31129	1.5
258.20062	1.5
353.19684	16.7
371.20770	23.2
372.21213	2.4
413.21851	41.6
414.22287	7.1
487.34174	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	852.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01709	4.2
67.01887	3.1
69.03459	5.1
70.38120	2.0
70.38471	5.0
71.01383	43.4
72.99294	3.0
73.02953	25.7
78.81103	1.6
79.09904	1.4
79.80751	1.4
83.01387	7.2
83.56851	1.8
85.02958	21.2
89.02468	8.4
97.02954	6.8
99.00877	3.2
99.04480	1.6
101.02444	38.9
108.02179	1.9
109.02953	1.7
113.02460	19.5
116.05079	2.3
119.03545	2.8
119.05029	6.4
121.02957	3.0
123.08163	1.7
125.02470	3.1
127.04012	2.2
131.03529	2.6
133.02930	2.4
133.06592	3.2
135.04562	8.5
138.06891	5.7
139.07643	4.1
143.03522	4.3
144.04547	2.9
145.05077	4.7
147.04521	100.0
148.04881	5.4
149.04555	5.2
151.07660	6.1
152.01123	2.0
152.08452	11.5
153.09219	47.6
154.09541	4.1
156.04585	3.3
157.05316	2.5
158.06104	12.0
161.02431	3.8
161.04553	23.9
161.05917	2.3
163.03957	2.8
165.09242	2.3
179.03430	2.0
179.05670	2.1
186.05540	5.7
188.05519	2.3
189.05568	8.5
193.12320	2.3
201.05496	2.5
203.05586	3.7
205.12335	16.1
206.12654	2.0
221.06546	4.1
223.13351	19.7
224.13814	2.2
230.06726	4.1
276.08786	60.4
277.09103	6.4
285.04181	2.3
294.09784	2.1
336.10880	30.8
337.11212	3.6
367.17520	18.1
368.18079	2.2
385.18631	6.1
417.51453	1.8
427.19724	39.8
428.20129	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	851.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	1.2
66.80038	0.3
69.03452	0.7
69.57256	2.4
71.01384	21.4
72.99318	1.1
73.02948	17.0
73.72068	0.3
75.00871	0.7
80.70403	0.3
81.03452	0.4
83.01385	4.9
85.02947	5.9
87.00877	0.6
89.02444	5.0
89.54669	0.3
95.01388	1.9
97.02965	0.6
99.00922	0.9
101.02446	16.6
109.02985	0.5
113.02451	18.5
114.02783	0.5
115.05569	0.9
117.03490	1.0
119.03505	3.3
119.05041	0.3
125.02478	1.4
131.03500	2.7
131.05032	2.2
131.25032	0.3
133.02991	0.4
133.06596	2.1
135.04485	1.6
137.02499	0.5
137.09781	1.0
143.03491	3.2
145.02907	0.5
147.03328	0.5
147.04523	13.6
148.04854	0.8
149.04541	3.4
155.03560	1.3
159.04471	0.4
161.02490	1.3
161.04590	9.4
161.06114	5.0
164.03392	0.3
179.03523	0.7
179.05730	0.7
189.05598	5.6
189.12880	0.8
197.04617	0.3
201.05692	0.5
203.05649	1.7
219.06683	0.8
221.06662	2.5
307.17960	0.4
312.21863	0.3
349.18710	0.5
351.18005	0.4
368.82532	0.3
411.20261	2.7
581.20868	0.4
747.80316	0.4
829.71509	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	852.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01715	2.3
64.15055	2.0
67.01879	3.2
69.03471	3.9
69.48640	9.8
69.49049	6.2
71.01383	48.8
72.99288	3.7
73.02946	30.9
79.59878	2.1
83.01382	6.8
85.02962	20.9
85.27531	1.8
85.64076	2.1
86.52845	1.7
87.00859	2.6
89.02470	9.7
91.97700	2.0
93.03513	2.1
95.01392	4.5
95.92680	2.0
97.02953	8.5
101.02447	35.3
108.02189	2.8
109.02956	5.8
113.02456	20.2
113.06091	2.8
116.05029	3.6
119.03484	5.9
119.05034	6.6
121.02988	2.7
121.99278	1.8
125.02411	2.3
127.04021	2.3
129.97733	1.8
131.03531	3.0
133.02986	4.3
133.06596	2.8
135.04535	13.9
135.08192	2.6
137.02428	4.6
138.06836	13.2
139.07657	5.9
140.05075	3.1
143.03545	2.9
144.04538	5.9
145.05045	5.0
147.04530	100.0
148.04883	4.3
149.04562	3.3
149.06097	2.1
151.07704	11.9
152.01134	5.6
152.08440	14.8
153.01923	4.3
153.09218	70.6
154.09515	6.1
157.05391	3.9
158.06151	12.8
161.02399	6.4
161.04596	22.3
161.05914	3.4
163.04066	3.1
165.09183	5.0
167.06943	2.0
175.03920	2.2
179.03442	3.0
186.05614	7.1
188.05676	3.6
189.05553	9.9
193.12437	3.6
203.05547	5.2
205.12321	25.7
206.12613	3.1
221.06781	2.3
223.13390	25.7
230.06604	3.6
276.08768	53.8
277.08975	3.7
285.04074	33.1
286.04474	7.6
336.10944	24.8
367.17603	23.2
385.18561	6.7
427.19781	43.5
428.20169	4.6
431.77066	2.3
435.09097	4.0
436.09793	3.7
461.07281	11.5
462.07437	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	850.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.31796	2.2
69.32215	0.5
78.95901	0.4
124.01814	0.4
125.02680	0.3
168.74315	0.3
189.01411	0.3
196.89697	0.3
383.22717	0.3
383.27560	0.3
857.90613	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	851.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.9
61.46853	0.8
61.98834	1.4
68.94223	0.8
71.01373	2.8
71.63094	1.2
72.99298	10.1
73.02944	1.0
89.02437	0.9
93.03474	2.7
96.96015	1.9
99.76593	0.8
101.02444	2.2
107.05008	1.1
109.02949	23.5
110.03317	1.0
113.02487	1.4
116.92845	1.1
117.03454	2.9
118.26907	0.9
121.02970	12.4
122.06080	0.9
123.04564	4.6
125.35754	0.9
126.69086	0.8
132.02171	1.7
133.02965	24.5
134.03703	2.7
134.92494	1.0
135.04521	47.2
136.04871	2.4
137.02399	2.1
139.03981	1.1
143.22150	0.9
145.02937	10.4
146.03729	14.5
147.04570	4.3
149.02425	6.0
149.06085	1.0
151.04053	1.2
159.04517	3.6
161.02440	100.0
162.03056	7.3
163.04004	9.9
173.02464	1.2
175.02591	1.4
175.03960	6.5
177.02011	2.0
179.03493	32.5
180.03810	1.4
183.18190	0.9
185.06058	1.6
193.06482	1.3
194.02151	1.3
197.04524	5.8
199.07599	1.1
203.03526	1.5
203.45920	0.9
209.06075	3.8
209.11806	1.9
211.07632	2.2
212.04837	1.2
213.05528	2.3
220.05138	1.3
221.06236	2.1
222.06752	1.6
224.04822	1.0
225.05515	1.4
225.11403	0.9
227.07161	1.8
237.05557	7.1
238.06291	6.5
239.07042	5.3
240.04266	2.9
241.05013	2.1
242.05775	3.5
248.04736	1.3
249.05545	3.5
250.06357	3.4
253.05014	2.1
254.05786	2.5
255.06622	61.3
256.07062	8.2
257.08057	2.5
265.05029	1.9
266.05817	3.9
267.06595	34.6
268.07275	4.3
269.08365	1.1
281.08054	1.9
285.07684	34.2
286.08115	2.7
293.04565	1.4
293.08304	1.9
311.05615	16.3
312.06110	3.7
313.06946	1.9
329.06653	36.8
329.10620	1.8
330.07162	4.4
331.08066	1.1
337.07309	1.2
339.05228	1.8
341.06583	1.7
351.61322	0.9
359.07675	14.7
403.11798	3.3
404.12292	1.4
447.10809	19.9
448.11389	4.5
476.18121	1.5
485.32437	3.3
488.34436	1.0
491.09760	21.7
492.10367	9.5
493.11227	3.0
506.71725	0.9
613.25977	2.0
627.15259	1.0
689.14752	4.6
690.15479	1.4
819.30780	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	850.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	53.5
61.98835	3.4
67.01900	1.0
69.03456	1.6
71.01382	55.7
71.05022	22.7
71.65708	1.8
72.01740	1.5
72.99300	7.3
73.02944	12.1
77.53616	1.0
83.01385	6.3
83.05025	1.3
85.02950	20.1
87.00877	11.5
89.02450	30.3
95.01367	5.8
95.12810	1.0
96.96018	3.9
97.02944	2.1
99.00891	3.6
101.02451	35.2
109.02978	4.7
113.02454	33.1
113.06123	2.7
114.02842	1.0
114.09270	2.0
119.03511	13.0
119.05065	1.1
123.04547	2.6
125.02475	2.8
131.03502	12.0
133.02939	4.9
134.03729	1.7
135.04530	24.6
136.04892	2.3
137.02478	1.5
143.03497	6.0
143.10777	24.1
145.02948	1.1
149.02429	2.1
149.04497	1.3
151.04047	1.0
159.03021	2.3
161.02457	24.1
161.04538	24.3
162.02823	3.3
163.04065	1.2
167.14415	36.7
168.14806	2.8
175.04025	1.4
179.03508	9.8
179.05615	33.3
180.06021	1.6
183.10216	6.0
184.10609	1.3
185.10211	1.5
185.11839	16.3
197.03003	1.1
197.04466	6.1
203.05583	2.8
209.15457	2.8
211.13383	43.7
211.15370	2.2
212.13791	3.3
221.06670	41.6
222.07080	1.3
228.16019	5.8
229.14436	68.9
230.14803	4.0
243.15939	6.0
250.23534	1.4
253.14432	7.4
254.17551	5.8
255.06618	2.8
263.07703	15.6
265.04871	1.5
267.06586	4.3
268.07092	1.4
271.15472	2.2
272.18661	12.8
281.21249	3.9
293.04581	3.2
295.06256	1.8
311.05615	4.6
326.23291	5.5
339.05042	1.9
359.07590	6.6
360.08096	1.3
415.19730	21.0
416.20117	1.8
422.29346	5.1
433.20779	15.5
440.30154	100.0
441.30313	15.6
441.96045	1.2
464.30322	4.9
482.31195	7.9
483.31219	2.5
485.32730	49.6
491.10135	1.4
495.13162	2.0
527.33618	3.2
539.11902	1.3
577.25269	2.1
595.25537	1.5
602.35547	18.9
603.35712	5.0
644.36670	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	849.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
63.02407	0.4
71.01395	2.0
72.99307	0.4
75.00879	0.7
76.71213	0.3
83.01396	0.4
83.39793	0.3
85.02956	2.8
87.00871	1.3
89.02431	0.6
93.03420	0.4
95.01402	1.0
98.20632	1.1
99.00861	0.8
101.02407	0.4
104.08446	0.4
107.01391	1.3
108.02176	0.5
109.02943	1.0
112.96783	0.3
113.02468	2.6
121.02979	0.5
129.01910	0.4
133.02946	6.1
135.04497	0.8
137.02414	0.6
138.01918	0.8
149.02411	1.2
151.00372	2.9
153.01945	0.4
158.03500	0.4
161.02464	1.1
168.51733	0.4
175.02621	0.4
175.03973	1.9
176.04361	0.4
185.05974	0.4
187.80821	0.4
199.03992	1.6
201.01831	0.7
213.05528	0.8
215.03526	0.5
217.05139	0.7
241.04974	1.1
243.02936	0.6
285.04041	100.0
286.04388	11.5
287.04562	1.4
327.05035	1.0
339.05066	0.5
357.06064	1.0
435.09366	0.8
461.07245	50.7
462.07605	8.8
463.08115	0.5
479.93073	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	849.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	97.2
63.02398	1.4
65.00336	1.1
69.03509	1.3
69.47259	8.6
71.01378	10.2
72.99308	1.7
73.02943	6.5
83.01380	2.5
85.02951	4.0
87.00829	1.0
89.02436	3.9
93.03475	3.5
95.01385	1.4
98.19924	2.1
101.02454	7.8
107.01418	1.7
108.02189	1.1
109.02957	3.2
110.58293	1.0
111.00876	1.9
113.02435	5.1
117.03448	4.4
119.03497	1.5
121.02946	1.3
123.04552	1.5
125.02451	1.2
133.02950	2.5
135.04509	4.6
137.02469	5.2
143.03481	1.2
147.04544	2.0
149.02402	2.1
149.04546	1.7
151.00356	2.9
151.04012	1.3
152.01157	1.4
159.04547	2.9
161.02428	8.4
161.04564	3.3
163.44583	0.9
169.06679	1.5
179.03499	2.9
183.04486	2.2
196.05356	1.2
197.04454	1.6
197.06099	1.6
216.02794	1.8
224.04732	1.3
225.05595	4.3
225.14812	1.2
227.03543	1.0
229.01399	3.2
240.04291	2.2
253.05020	1.3
266.05743	1.4
268.03888	1.2
269.04544	100.0
270.04913	8.0
283.06198	1.2
285.03961	1.2
311.05609	1.9
331.17657	2.1
339.05463	1.6
373.18625	5.3
418.17087	1.3
429.23318	1.3
431.09811	86.9
431.19247	4.9
432.10272	11.2
437.08487	1.7
443.96442	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	848.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.0
61.10141	0.4
63.14001	0.4
71.01386	1.2
71.39423	0.5
72.72124	0.4
73.02950	0.5
81.03468	0.8
85.02986	0.4
91.01882	0.7
95.05035	0.6
101.02440	1.0
101.03969	0.3
108.02195	3.1
108.39295	0.4
109.02955	100.0
110.03292	3.9
113.02405	0.4
115.05529	0.6
119.05037	1.5
121.02969	1.0
123.04524	2.7
129.03461	0.7
130.04230	0.7
131.05089	2.1
133.02962	6.7
133.05324	0.5
134.03751	0.4
135.04526	9.3
136.04848	0.5
137.02434	1.1
145.02960	2.3
146.03728	1.5
147.04529	7.0
147.20403	0.4
148.04887	0.4
151.04019	1.2
158.03714	1.5
159.04517	30.5
160.04860	2.1
161.02449	5.9
162.02701	0.5
163.04008	0.6
172.82082	0.4
173.02390	0.8
174.03212	1.1
175.04002	6.4
177.01933	0.4
179.03513	3.0
185.06149	0.5
191.03436	0.8
198.06888	1.0
199.07643	1.5
203.03503	22.0
204.03825	1.3
210.06822	0.4
211.07678	0.4
213.09186	0.5
221.06142	0.4
223.07709	0.9
225.05583	1.1
226.06337	1.0
227.07077	0.5
237.05602	1.9
238.06082	0.7
239.07121	1.0
241.08734	1.0
247.02457	3.0
250.06331	0.6
251.07098	2.9
252.07919	0.9
253.05020	1.7
254.05804	5.0
255.06483	1.4
266.05811	0.6
267.06564	3.9
268.07251	1.2
269.08185	41.7
270.08524	3.8
283.06070	0.6
285.07538	0.4
295.06027	2.4
310.10880	1.4
311.05615	0.9
312.05807	0.6
313.07172	21.3
314.07556	2.7
328.11911	2.8
329.12265	0.4
357.06146	77.8
358.06479	8.5
359.06992	0.4
447.22610	0.6
458.81979	0.4
464.75885	0.4
490.16483	0.5
490.22733	1.2
490.29547	0.4
864.80853	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	845.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01466	0.2
60.01705	1.4
71.01385	9.5
72.01751	0.3
72.99325	1.2
73.02948	3.3
75.00894	0.4
75.99992	0.3
81.03452	0.3
83.01380	1.3
85.02950	3.4
89.02441	3.3
93.03473	0.8
95.01411	0.7
95.05031	0.3
98.20629	0.6
99.00879	0.9
101.02438	5.5
101.03060	0.3
109.02967	0.3
113.02447	4.0
114.21750	0.2
114.68488	0.2
119.03503	1.7
119.04985	0.3
123.04604	0.4
125.02438	0.6
131.03548	0.4
133.03004	0.8
135.04524	1.5
141.73604	0.2
143.03505	0.5
149.04620	0.6
151.44592	0.3
161.02472	1.5
161.04552	2.8
163.11272	2.4
177.02043	0.3
179.03520	0.8
179.05629	0.7
197.04663	0.7
203.05626	1.6
207.10252	4.8
207.12099	0.3
208.10562	0.6
209.15480	0.8
255.30534	0.3
343.08353	0.3
359.09991	0.4
371.20660	2.2
387.16592	4.8
388.16995	0.5
413.21832	3.8
414.22092	0.6
521.13300	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	845.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.6
69.33553	0.6
71.01377	2.4
71.45612	0.5
71.64622	0.7
73.02939	1.8
74.17665	0.6
79.66705	0.6
85.02945	1.4
89.02434	1.6
93.03440	1.3
97.02947	0.9
101.02457	3.7
101.03046	0.6
106.40012	0.6
108.02169	2.9
109.02954	100.0
110.03277	4.2
113.02506	1.1
117.03486	1.4
119.03565	0.7
119.05009	3.7
123.04533	3.3
125.02412	1.0
130.04242	0.8
131.05037	2.4
133.02951	6.1
134.03549	0.6
135.04532	8.3
138.06862	1.5
139.07613	0.7
143.03522	0.8
145.02946	5.6
146.03755	1.7
147.04536	6.9
151.03987	1.8
151.07652	1.9
153.09225	5.6
153.14478	0.6
158.03738	1.7
159.04515	34.7
160.05031	1.3
161.02446	5.7
161.06010	1.0
163.04033	5.6
165.09222	1.9
173.02429	1.1
174.03212	1.3
175.03996	6.4
179.03566	3.3
179.05612	1.8
179.10759	0.9
180.28740	0.7
185.06087	0.8
187.03955	3.6
197.06212	0.6
198.06923	1.3
199.07666	1.7
202.83342	0.6
203.03502	22.5
203.10716	1.1
204.03889	1.6
205.05125	0.6
206.09442	0.8
209.05855	0.6
211.07628	0.7
217.05037	0.7
221.06593	1.2
221.11862	6.8
222.06903	0.7
223.07608	0.8
225.05556	1.4
226.06361	0.8
227.07097	0.9
235.06053	1.4
237.05516	2.2
238.06078	0.7
239.07153	0.7
239.12924	4.8
247.02316	2.9
249.05521	1.0
251.07195	2.9
252.07716	1.1
253.05040	1.8
254.05887	5.1
255.06448	1.1
267.06549	3.1
268.07233	1.1
269.08179	38.9
270.08594	3.7
283.06107	1.3
295.06149	2.5
311.05624	2.7
312.06186	0.9
313.07166	20.4
314.07388	2.0
342.24265	0.7
357.06137	78.2
358.06494	8.1
383.17130	1.3
427.12698	0.9
443.19284	2.8
487.14468	1.9
494.33691	0.7
550.28058	0.6
592.69940	0.7
640.16882	0.7
740.00446	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	845.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
65.81229	0.3
66.77252	0.3
67.66973	0.3
71.01379	1.2
71.62171	0.7
77.33896	0.4
81.03480	0.5
81.24918	0.4
84.76069	0.4
85.59556	0.4
91.01892	0.5
93.03471	0.5
97.02953	0.5
101.02465	0.6
105.03477	0.3
108.02190	2.5
109.02960	100.0
109.57751	0.4
110.03294	3.8
113.02470	0.7
115.05571	0.4
118.20901	0.3
119.05041	3.8
121.02935	0.9
123.04524	2.9
125.02451	0.8
129.03477	0.8
129.96451	0.3
130.04298	0.5
131.05031	2.3
133.02975	6.3
135.03600	0.7
135.04539	8.9
137.02481	0.8
145.02945	3.4
146.03737	1.5
147.04541	7.5
149.02437	0.5
151.04007	1.0
153.05513	0.3
158.03758	1.6
159.04527	31.1
160.04883	2.1
161.02441	4.4
161.04640	0.7
161.06061	0.8
163.04007	5.3
164.04448	0.5
173.02455	0.7
174.03195	1.4
175.04002	6.1
177.01988	1.2
177.05629	0.5
179.03523	2.7
187.04048	0.5
191.03520	1.3
198.06854	0.6
199.07587	1.5
203.03514	21.9
204.03839	0.9
205.05081	0.8
208.05301	0.5
209.06117	0.5
211.07603	0.7
213.45909	0.4
222.24936	0.3
223.07690	0.7
225.05511	1.0
226.06308	1.0
227.03438	0.4
227.07141	0.6
237.05563	2.0
239.07111	0.7
241.05133	0.5
241.08757	0.9
247.02481	2.0
250.06340	1.0
251.07164	3.2
252.07869	0.9
253.05093	1.9
254.05864	5.3
255.06503	1.4
262.26755	0.4
266.05869	0.6
267.06628	4.3
268.07413	1.0
269.08197	39.7
270.08606	3.2
283.06204	0.7
285.07553	0.4
295.06149	2.3
311.05579	1.2
312.06027	0.7
313.07175	21.5
314.07666	1.8
325.09277	2.2
357.06165	87.5
358.06454	8.7
487.14828	0.6
848.83148	0.4
877.78436	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	844.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	29.9
60.89550	0.6
61.98830	35.8
69.33309	6.0
69.33716	1.0
71.01363	0.9
72.98921	0.9
72.99309	14.1
80.05025	0.9
84.11905	0.6
85.02881	0.6
89.89661	0.6
93.03432	0.8
96.96020	1.3
98.19811	1.4
101.02404	0.9
105.98026	0.7
106.06628	8.5
107.05016	1.1
107.06976	0.6
108.04546	1.1
109.02944	1.0
119.05049	0.7
122.06108	3.4
123.04515	6.3
130.06563	0.7
132.04510	2.2
132.08205	1.6
133.02946	1.1
134.03818	4.1
134.06120	34.7
134.09723	0.9
135.04526	44.4
136.04832	2.4
136.07594	0.7
146.06120	0.8
148.40131	0.7
152.07169	3.4
152.35980	0.7
158.06064	2.0
160.07629	1.2
161.02466	3.9
174.05666	1.0
179.03499	10.1
184.07626	1.3
194.08182	1.3
197.04521	5.1
197.10721	0.7
222.07689	2.5
223.08492	0.7
223.12318	1.3
225.10294	0.8
227.11873	1.4
233.10776	1.0
234.07825	0.7
236.09578	1.0
237.10175	1.0
243.36546	0.8
248.09560	0.7
249.10289	4.7
250.10881	1.0
250.53430	0.7
251.11920	4.6
261.10263	1.7
262.11121	1.2
263.08127	1.5
263.11862	2.6
265.13449	1.4
275.08295	1.3
275.11874	3.3
276.09061	2.6
276.12128	0.9
277.09787	7.6
277.13315	3.1
278.10321	0.8
278.13818	0.7
279.11404	1.5
287.11844	0.9
289.09811	3.2
290.10483	3.7
291.11453	5.2
291.14340	1.2
292.08633	0.9
292.11731	0.8
293.09625	1.3
293.12793	5.4
294.10162	0.8
295.10727	1.5
301.09982	1.2
301.13409	1.4
302.10645	1.4
303.07986	1.5
303.11349	3.2
305.09280	2.3
305.12943	6.7
306.13257	0.9
307.10895	1.8
311.05457	1.6
316.08517	0.8
319.10797	8.7
319.14236	1.5
320.11380	1.0
331.10922	3.0
335.10367	1.6
337.12018	3.6
345.12366	2.1
349.11942	4.9
363.09821	2.5
365.11411	0.7
370.19238	0.9
378.48993	0.8
381.10925	5.3
393.10931	2.9
396.17340	0.8
398.18689	2.0
412.20349	1.6
422.19269	1.7
424.16690	1.6
438.18320	2.1
440.19772	2.0
456.19373	2.1
466.17508	4.2
468.15762	1.6
482.17255	4.3
483.17886	0.7
484.18881	3.5
485.18994	0.8
488.34549	0.9
489.34927	0.8
500.18277	2.2
510.16754	8.6
511.17130	1.5
526.19800	3.7
528.17749	7.0
529.18463	0.9
542.19440	1.2
544.21027	1.9
546.18951	2.3
560.19849	0.9
570.18976	8.0
571.19293	1.0
588.19885	44.4
589.20062	7.9
602.21381	6.8
603.21808	1.5
620.22302	4.3
708.21515	1.2
724.24603	0.8
726.22955	1.1
768.24078	100.0
769.24414	28.5
800.26801	4.1
801.27350	1.2
820.08246	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	843.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01717	0.9
68.99825	0.7
69.03467	2.0
71.01385	45.7
71.64846	0.9
72.01721	0.9
72.02139	0.5
72.99306	3.7
73.02949	55.4
74.03278	0.9
74.76090	0.6
75.00880	7.8
78.95912	0.6
81.03451	1.2
81.36330	0.5
81.46969	0.6
83.01392	18.7
83.01860	1.1
85.02950	12.3
87.00883	3.3
89.02454	9.4
92.66352	0.5
93.03458	1.4
95.01387	3.9
97.02978	1.4
99.00896	4.7
101.02448	51.5
102.02804	1.7
103.00381	0.9
109.02952	0.8
111.00858	0.6
113.02454	27.2
114.02805	1.1
115.00420	0.9
117.01976	1.3
119.03500	6.4
119.04975	0.6
121.02959	28.0
122.03276	1.2
123.20560	0.7
125.02493	1.8
130.01962	0.6
131.03493	6.3
135.04536	0.7
137.02423	0.7
143.03519	6.5
149.04562	13.8
155.03529	1.5
161.02577	1.0
161.04559	21.2
162.04930	0.7
163.04008	0.7
175.02539	1.0
203.05650	1.9
221.06654	9.0
225.11406	2.4
231.05214	1.9
234.31046	0.6
249.06145	16.8
250.06644	0.7
265.07275	0.8
325.09360	0.8
371.09827	44.0
372.10254	4.3
584.79095	0.6
646.69031	0.6
749.88068	0.7
852.28345	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	840.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38056	0.4
61.98830	100.0
63.03680	0.3
69.47079	0.3
69.76691	2.1
73.64535	0.3
77.14994	0.3
87.49713	0.4
103.71408	0.3
104.66428	0.3
116.92873	0.8
127.20494	0.3
139.65196	0.3
173.47333	0.3
198.57359	0.3
266.38052	0.3
291.19806	0.7
293.21274	0.6
454.02533	0.4
516.43988	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	840.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98832	100.0
71.65706	0.2
73.02956	0.5
74.14578	0.2
82.38102	0.2
99.00798	0.2
99.92586	9.0
114.30701	0.2
114.93423	2.7
116.92862	72.3
117.01923	1.3
199.10014	0.2
277.21622	0.3
311.22089	0.2
852.07312	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	841.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	39.3
73.02945	0.8
78.95934	0.2
96.96027	0.3
98.19794	0.3
99.92584	12.7
100.92595	0.7
114.93411	0.5
116.92861	100.0
117.01943	1.3
117.92873	5.4
208.44168	0.2
216.94792	0.2
221.94514	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	841.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
61.98827	1.4
69.67230	1.1
73.02943	1.0
78.95934	0.2
82.04192	0.1
96.96023	0.2
97.93178	0.2
99.92585	11.8
100.92606	0.6
107.93336	0.1
114.93428	0.8
116.92860	100.0
117.01942	1.6
117.92873	5.8
243.57520	0.2
277.21667	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	841.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24488	4.7
61.98832	100.0
96.13850	5.4
98.20655	8.2
98.86137	5.8
115.46429	5.2
137.35223	4.8
235.08096	6.7
253.09117	7.1
277.21643	32.2
291.19681	5.9
309.20615	13.9
463.37024	7.3
671.45892	6.3
777.16846	8.0
835.59711	7.0
841.49017	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	842.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.7
63.02399	0.9
65.00330	0.8
67.01908	0.3
71.01385	2.8
71.62901	0.4
72.99316	0.5
73.02943	0.6
75.00872	0.7
83.01361	0.6
85.02958	2.9
87.00874	0.9
88.03581	0.2
89.02442	0.4
95.01380	0.6
98.62683	0.2
99.00866	1.2
101.02470	0.5
105.03474	0.5
107.01427	1.2
109.02947	0.8
113.02470	1.6
115.00365	0.4
117.01965	0.3
121.02943	0.6
129.01926	0.5
133.02959	4.8
135.04500	0.6
136.07666	0.6
137.02409	0.4
138.05602	0.6
147.04526	1.0
149.02448	1.2
151.00374	2.9
152.01053	0.5
161.02423	0.7
171.04527	0.5
175.02583	0.4
175.03996	2.1
185.06093	0.6
187.04048	0.2
189.05627	0.4
198.03281	0.3
199.03943	1.8
201.01868	0.7
211.03914	0.3
212.04723	0.3
213.05505	0.9
215.03439	0.3
217.05043	1.3
229.05092	0.3
240.04167	0.2
241.05026	0.9
243.02930	0.7
257.04544	0.6
276.08582	0.3
283.02478	0.3
284.03195	1.0
285.04041	100.0
286.04388	10.6
286.07626	0.4
297.04034	0.3
327.04999	1.3
357.06161	0.8
381.06396	0.4
435.09341	0.8
461.07251	46.6
462.07605	7.1
773.38812	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	840.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
68.99819	0.5
69.41778	0.6
69.42210	1.1
70.29750	0.2
71.01382	0.8
73.02947	0.4
85.02959	0.3
88.98843	0.2
93.03448	0.6
96.96007	1.9
101.02428	0.5
105.03484	0.5
108.02190	0.2
109.02944	0.3
113.02455	0.4
115.05526	0.3
117.03479	1.6
119.05027	18.2
120.05339	0.7
122.03716	0.3
123.04526	2.9
124.04814	0.3
132.02165	1.3
133.02957	28.3
134.03273	1.0
135.04523	0.9
143.05026	5.4
145.02957	5.1
146.03307	0.3
149.02444	0.6
150.03217	1.1
151.04016	4.6
161.02444	100.0
162.02769	4.9
163.04007	35.4
164.04358	1.9
178.13704	0.2
179.03522	0.5
187.03996	7.6
235.06133	0.4
245.74863	0.2
249.88214	0.2
254.73703	0.2
269.08441	0.2
301.11975	0.4
313.07162	25.5
314.07507	2.6
315.58261	0.2
362.08951	0.3
372.77438	0.2
387.16476	0.8
422.12375	0.5
433.27472	0.2
440.13824	0.3
482.14542	5.3
483.14996	0.8
549.19800	0.8
818.51276	0.2
841.29395	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	839.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	5.3
59.01384	96.0
71.01370	14.9
71.62762	3.7
73.02965	6.9
79.32675	3.0
81.03462	5.8
83.05016	5.5
85.02965	6.2
87.00906	6.7
89.02429	8.5
95.05026	6.6
97.06572	3.2
101.02442	11.4
108.02242	2.9
109.02920	6.8
109.06593	12.5
111.04562	3.5
113.02468	7.2
119.03566	4.7
123.00865	3.0
123.04556	4.0
129.09222	3.3
129.22055	2.8
135.08141	5.5
138.03233	5.2
141.05524	6.1
143.03490	2.6
149.02457	5.3
153.01982	3.5
153.05498	6.8
159.10275	6.9
163.03998	3.0
164.04742	4.4
177.09241	17.7
178.09631	3.0
179.07176	3.0
195.10254	28.8
196.10533	3.3
208.03719	7.9
219.10182	4.0
221.08173	8.4
223.06055	20.1
225.11313	3.2
239.06831	4.8
239.09258	100.0
240.09528	8.4
256.96835	3.1
263.09186	6.7
311.11316	6.1
314.68100	2.9
341.12354	34.7
347.17087	11.0
365.17978	6.8
366.54813	3.0
374.08612	3.0
385.11227	5.9
387.16620	44.3
388.16647	4.7
401.14465	65.3
402.14859	4.3
407.19049	19.7
434.53067	3.2
479.15567	2.9
516.57501	3.5
541.76215	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	839.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.4
61.98827	3.4
69.03457	1.8
70.25935	0.5
71.01380	7.0
71.05065	0.5
71.21108	1.3
72.99300	1.1
73.02956	1.7
74.55367	0.5
83.01392	1.1
85.02956	5.8
86.03291	0.5
87.00874	1.5
89.02451	3.8
90.01729	0.5
91.04003	0.6
95.01400	0.5
95.05066	0.6
97.02991	1.6
97.06594	2.6
101.02446	6.3
113.02445	5.1
119.03503	1.7
123.08101	0.7
125.09746	0.7
127.11295	1.4
133.02924	0.8
135.04552	1.1
137.09714	1.4
145.02950	0.6
154.63719	0.6
155.10748	1.1
161.02498	1.2
161.04576	3.2
171.10283	17.9
172.10535	0.6
177.12892	0.6
179.03542	0.5
179.05554	0.7
179.14534	0.5
183.13922	2.9
185.11867	1.4
193.12311	1.0
195.13927	6.8
196.14391	0.8
201.11395	0.7
203.10876	0.6
205.12405	0.6
209.11813	3.8
211.13406	12.9
212.13684	0.6
214.36452	0.6
221.11845	2.1
223.13365	4.7
229.14479	8.9
230.14838	0.6
235.08237	6.6
239.12874	1.7
249.18674	1.7
253.09303	33.9
254.09604	1.1
256.13187	0.7
275.20203	5.0
275.97427	0.5
291.19666	5.0
292.20068	0.7
293.21228	100.0
294.21552	10.7
307.18961	0.6
309.20749	6.6
310.21246	0.6
327.21759	69.4
328.22076	7.9
343.46915	0.5
471.34772	0.8
492.22409	0.6
529.30164	1.5
545.29614	1.6
563.30762	5.4
564.30701	0.8
603.42554	4.4
604.43304	1.2
624.24573	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	838.532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.10702	0.1
71.25812	0.2
87.11276	0.1
110.15538	0.1
189.67982	0.1
245.48589	0.1
280.23770	0.2
313.43716	0.1
692.19281	0.1
757.65393	0.1
825.29144	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	839.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	75.8
60.01717	1.3
68.06315	0.5
69.57740	0.4
71.01373	3.9
71.64601	0.6
73.02950	1.2
77.41283	0.5
82.56506	0.4
85.02956	2.1
99.00901	0.6
99.12677	0.4
101.02452	1.3
110.67117	0.4
113.02464	1.0
135.04504	0.7
137.02422	1.2
138.03192	0.5
147.04446	1.1
148.05302	88.9
149.05634	5.1
161.02502	0.7
161.04568	1.4
163.03996	2.1
163.07648	86.6
164.04790	99.7
165.05099	5.1
169.63426	0.4
171.10234	0.5
179.07129	100.0
180.07462	5.6
180.08908	0.6
203.05632	5.0
311.15897	0.4
322.73495	0.5
341.12604	0.5
367.13821	1.1
383.13419	12.1
384.13861	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	839.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33967	0.2
60.52490	0.2
61.98834	1.9
67.04651	0.2
67.66930	0.2
70.64240	0.3
70.64577	0.4
73.02947	0.6
88.11459	0.2
99.92590	11.6
100.92618	0.8
101.70625	0.2
113.95080	0.2
114.93426	0.7
116.92867	100.0
117.01984	1.1
117.92866	5.6
121.85981	0.2
230.02794	0.2
267.11252	0.2
277.21765	0.2
306.59729	0.2
325.35867	0.2
522.02179	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	839.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	3.3
65.51575	0.2
70.23290	0.2
70.66414	0.5
73.02943	0.5
75.44219	0.1
79.88895	0.2
98.19944	0.2
99.92588	12.2
100.92613	0.7
114.93410	0.4
116.92866	100.0
117.01942	1.1
117.92876	5.8
128.39696	0.1
164.48482	0.2
226.72978	0.2
229.10501	0.2
277.21863	0.4
357.02014	0.2
513.73517	0.2
636.24731	0.2
679.33459	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	836.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68979	0.1
61.98832	100.0
62.98533	0.2
70.81034	0.2
91.64632	0.1
114.68337	0.1
297.05173	0.1
381.87820	0.1
628.78308	0.1
743.83557	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	837.465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.4
59.01382	7.6
61.98822	0.5
69.03432	0.2
71.01385	4.9
71.65903	0.2
72.99323	0.7
73.02946	1.6
74.51752	0.1
83.01384	1.0
85.02958	2.4
87.00887	0.3
89.02449	3.0
95.01395	0.6
96.96017	0.2
99.00853	0.2
101.02448	7.7
102.02765	0.2
109.02967	0.3
113.02455	6.8
115.92073	0.2
116.92835	0.3
119.03508	4.9
125.02469	0.3
131.03528	0.3
133.03008	0.3
135.04503	0.6
137.02400	0.2
143.03500	1.1
145.02902	0.3
149.02502	0.2
161.02524	1.0
161.04559	5.1
162.04890	0.3
179.03415	0.3
179.05627	1.0
197.04517	0.2
203.05548	0.2
210.84811	0.1
240.04431	0.1
256.26785	0.1
263.07666	0.2
301.11908	0.2
399.42514	0.1
407.33051	0.9
425.34235	0.2
471.34781	100.0
472.35123	19.6
485.36453	1.1
486.36777	0.2
492.89090	0.1
513.35834	1.7
514.36102	0.4
543.36816	0.5
544.37335	0.2
545.33142	0.5
555.37189	0.2
615.39148	0.4
633.39850	0.2
634.40289	0.2
639.41321	0.3
675.41058	2.1
676.41644	0.6
701.10291	0.1
837.45868	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	837.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59134	2.6
59.01379	16.4
61.98823	9.4
62.33404	2.4
69.03459	2.6
71.01378	12.3
72.99348	3.3
78.95907	3.8
83.04998	4.2
83.55931	2.6
85.02913	3.3
85.17538	2.6
87.00894	3.3
88.25272	2.8
89.02442	9.9
96.96014	26.6
98.19838	6.4
99.00900	3.0
99.92570	3.5
101.02432	9.9
111.08138	11.3
113.02449	6.2
116.92879	5.1
123.04494	3.7
125.09692	9.1
133.30838	2.5
161.02365	3.4
161.04536	2.5
163.11299	5.8
167.10696	3.2
171.10245	5.3
179.03548	3.0
181.12318	2.7
185.11778	9.3
191.14386	6.8
195.13857	13.5
197.11830	33.4
201.11240	4.4
207.10216	2.8
209.11855	16.8
211.13414	8.2
221.41003	2.7
223.13353	7.0
227.12778	4.0
235.08229	6.0
245.19089	7.3
253.09283	30.9
263.20184	3.7
275.20084	9.6
276.20496	3.2
277.21637	12.1
289.18112	35.7
290.18347	3.9
291.19653	85.8
292.19980	10.9
293.21237	100.0
294.21448	11.3
307.19168	28.7
308.19330	4.9
309.20734	39.4
310.20825	5.8
397.13010	3.0
837.49133	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	835.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.8
59.01379	100.0
60.01722	1.1
69.03465	1.1
71.01382	15.6
72.99323	1.1
73.02949	7.9
75.00871	0.4
83.01384	3.2
85.02953	8.9
85.03439	0.7
87.00874	0.8
89.02453	0.7
90.68758	0.5
92.14104	0.4
95.01375	2.1
96.96012	0.5
97.02979	1.0
99.00887	2.9
101.02439	15.1
111.00922	0.5
113.02448	5.5
115.92091	0.7
116.92870	0.9
125.02447	1.6
135.04565	0.9
143.03522	1.8
159.02974	0.7
161.02481	1.2
161.04536	4.6
179.03537	0.5
203.05634	1.2
268.74246	0.4
313.30432	0.4
419.29721	1.2
421.31360	1.4
423.29309	0.6
439.32733	0.9
445.31375	0.6
465.30063	0.6
483.31281	2.1
501.32416	0.6
543.31592	3.2
544.32391	0.7
565.35651	1.3
583.36298	5.8
584.37018	1.1
597.34424	0.8
601.37506	11.8
602.37750	3.6
619.39020	1.4
625.37183	0.6
627.35791	1.6
643.38361	3.8
643.47748	0.5
644.39185	0.6
645.36707	2.3
657.36456	3.4
658.36768	0.9
661.39844	0.8
675.37012	1.1
687.37494	6.2
688.38312	1.3
705.38416	12.1
705.49780	0.7
706.38605	2.8
747.39655	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	835.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01715	1.1
61.98841	0.8
67.59883	0.5
69.37639	5.5
71.01385	10.1
72.99318	1.9
73.02955	2.8
81.03485	0.8
83.01398	1.7
83.05045	2.4
83.10423	0.7
85.02960	5.6
87.00902	1.5
87.18396	0.6
89.02443	4.5
93.03468	0.8
95.01362	0.6
99.00886	1.4
101.02441	8.6
101.47227	0.6
109.02985	1.2
112.21648	0.5
113.02466	5.5
118.02428	0.7
119.03493	1.4
120.04111	0.6
123.04550	0.9
125.02454	2.2
133.03012	1.9
135.04533	4.2
143.03545	0.9
161.02457	4.8
161.04538	2.8
163.11273	1.3
165.12872	1.0
167.10831	0.8
167.60747	0.6
179.03554	2.3
197.04594	1.9
209.11833	44.4
210.12204	3.7
227.12944	7.1
228.13129	0.6
235.08257	1.3
267.06622	1.1
289.16629	2.5
331.17773	2.1
355.21271	1.3
360.10605	0.8
373.22226	3.2
379.12418	0.8
397.13412	8.4
415.14609	2.6
415.23334	7.6
416.23721	1.2
600.17206	0.9
607.26331	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	836.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01731	0.6
69.03460	2.2
71.01389	8.4
71.65034	0.8
72.99284	0.6
73.02962	2.4
74.72053	0.6
75.00875	29.7
83.01390	2.7
85.02951	4.5
87.00867	2.8
89.02434	1.1
89.68021	0.6
95.01368	1.2
97.02953	1.5
99.00893	2.2
99.04550	0.6
101.02415	4.1
103.00410	0.7
109.02960	0.7
111.00874	3.1
113.02464	6.2
125.02454	0.9
127.00381	7.6
129.01950	1.6
133.02979	0.7
135.04544	1.5
141.01941	6.5
143.03514	7.3
159.02991	5.3
161.02412	2.0
161.04559	0.6
162.02870	0.6
163.04054	2.0
164.11859	0.6
171.53963	0.6
173.04565	2.2
174.25433	0.5
183.02975	0.6
201.04048	40.1
202.04449	2.0
211.99773	0.5
249.06081	0.6
267.07352	0.8
371.20828	0.9
377.14761	1.8
378.14688	1.0
379.16223	1.2
413.22043	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	835.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.4
59.01381	100.0
60.01718	1.3
61.18399	0.3
69.25289	0.3
69.57696	2.1
71.01382	9.7
72.99313	0.4
73.02944	3.2
75.00864	0.5
75.30711	0.3
79.97810	0.3
83.01406	1.3
85.02945	2.5
87.00901	0.7
89.02449	5.3
95.01376	0.4
99.00929	0.3
101.02446	5.5
109.03012	0.5
109.67448	0.3
113.02456	4.1
119.03503	2.3
129.09230	0.3
131.03513	0.8
133.02940	3.0
135.04549	0.4
143.03522	1.0
146.02043	0.3
149.04591	1.4
151.04048	0.5
151.07388	0.3
159.02994	0.3
161.02443	5.9
161.04541	2.4
165.76671	0.3
170.01389	0.3
175.02457	0.4
177.01984	0.9
179.03616	0.4
179.05658	0.9
221.06683	0.9
269.04590	3.5
270.04950	0.7
313.07050	2.5
313.16788	0.6
331.17578	2.8
373.18643	10.6
374.19101	1.2
445.07950	0.9
741.45593	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	835.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.3
59.01382	100.0
60.01720	1.1
71.01384	7.9
71.64198	0.2
72.01756	0.2
72.99325	0.5
73.02950	2.8
83.01385	1.3
85.02952	2.6
85.03432	0.2
87.00893	0.3
89.02450	3.4
93.03461	1.1
95.01405	0.7
99.00903	0.7
100.14726	0.2
101.02445	5.1
102.02819	0.2
109.02981	0.3
112.28738	0.2
113.02451	3.7
119.03507	1.3
125.02463	0.2
131.03523	0.5
133.02957	0.4
135.04533	1.2
137.02434	1.9
141.71507	0.2
143.03464	0.8
149.04555	0.5
151.04057	0.3
159.02986	0.4
161.02454	0.9
161.04550	2.4
161.05846	0.2
179.03477	1.2
179.05600	0.9
197.04585	0.2
203.05606	0.2
223.68936	0.2
269.04617	0.3
269.14145	0.3
313.16666	0.6
331.17581	2.8
331.21124	0.2
373.18665	6.7
374.19147	0.5
414.31714	0.2
449.20456	0.7
540.58197	0.2
560.92548	0.2
786.70929	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	834.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.9
61.98831	100.0
71.01382	15.0
71.65683	1.5
72.99316	4.9
73.02940	3.2
73.24648	0.8
77.51235	0.8
79.95719	0.9
83.01404	2.0
85.02948	4.6
87.00879	3.7
89.02448	10.7
95.01399	1.7
96.96008	32.4
97.95957	0.9
98.95556	2.1
99.00872	1.1
99.84333	0.8
99.92578	3.6
101.02425	8.8
103.23890	0.8
103.61737	0.9
104.44323	0.8
109.02923	2.1
113.02440	10.2
114.02777	0.9
114.93433	1.3
115.07642	16.1
115.92063	6.0
116.92855	14.4
119.03495	4.4
119.49375	1.0
125.02428	0.9
126.90407	1.1
131.03502	3.7
133.02930	5.3
135.04527	6.4
143.03487	2.0
149.02385	1.3
150.03227	1.6
151.04002	1.4
156.10269	2.4
158.11876	2.4
161.02441	13.4
161.04538	7.5
161.05763	1.3
167.14429	6.0
169.12126	1.0
179.03482	3.6
179.05585	10.0
185.80362	0.9
197.04523	1.8
197.11874	1.0
211.13358	7.0
221.06674	8.0
229.14418	7.1
241.18088	7.9
258.40848	0.9
263.07706	3.2
265.17963	3.1
267.06720	1.9
283.19180	3.5
307.19138	1.4
308.22443	6.3
311.05551	2.7
312.06094	0.9
326.23328	1.5
359.07690	1.2
361.09396	1.8
424.30685	30.8
425.30887	4.7
425.70029	0.9
448.30200	1.3
466.31766	2.6
511.13611	0.9
631.38324	2.5
835.32336	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	834.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
61.98833	100.0
69.36552	0.3
69.36868	2.2
78.95919	0.4
98.19900	0.4
142.77760	0.2
161.02534	0.3
209.74579	0.3
487.34509	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	835.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81508	0.4
65.72759	0.5
69.31887	1.9
69.32322	2.3
91.01927	0.4
93.03455	0.5
108.02168	2.8
109.02959	100.0
110.03292	3.3
115.05521	1.1
119.05043	1.2
120.89003	0.5
121.02945	0.5
123.04517	2.3
129.03369	0.5
130.04219	0.8
131.05054	2.2
133.02950	5.6
135.04536	9.4
137.02467	0.5
145.02953	3.0
146.03706	2.0
147.04523	9.6
151.03986	1.2
151.54723	0.5
158.03748	1.1
159.04521	34.4
160.04849	2.6
161.02431	4.1
163.03958	1.0
173.02419	0.9
174.03223	1.2
175.03986	7.0
179.03525	4.2
191.03479	0.9
197.06125	0.5
198.06866	0.9
199.07607	1.3
203.03511	22.0
204.03812	1.1
209.06139	0.8
210.06772	0.4
211.04106	0.6
223.07677	1.1
225.05582	1.3
226.06430	0.7
227.07085	1.4
237.05490	1.7
238.06166	0.5
239.07152	1.2
239.30203	0.4
247.02527	2.7
250.06398	0.6
251.07092	2.9
252.08017	0.5
253.05080	2.2
254.05797	4.3
255.06555	2.0
266.05826	0.7
267.06616	3.4
268.07300	1.1
269.08194	41.6
270.08481	4.1
283.06140	1.1
284.06351	0.7
295.06067	2.1
307.67731	0.6
311.05557	2.3
312.05978	1.4
313.07190	23.8
314.07596	2.8
334.12344	0.5
352.77942	0.4
357.06149	83.0
358.06497	8.9
609.54437	0.5
615.43494	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	833.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.1
61.98516	2.8
61.98832	49.9
67.54559	1.6
70.44855	6.8
71.01382	46.7
73.02950	10.5
75.00866	1.5
78.91864	2.4
78.95896	5.7
83.01399	7.9
85.02960	18.0
87.00851	4.0
87.77927	1.5
88.98809	2.2
89.02449	9.7
95.01402	3.8
97.79445	1.8
98.20595	2.1
99.00846	5.1
101.02446	30.2
113.02443	17.2
116.92863	2.7
119.03510	3.1
121.98875	2.1
125.02389	1.8
129.09215	3.3
131.03481	2.3
135.04535	2.4
159.02988	3.5
160.45163	1.6
161.02463	4.4
161.04555	9.6
161.05714	1.6
264.17096	2.1
358.50421	1.8
395.12079	1.8
437.05377	1.7
611.41626	17.5
612.42279	4.7
773.46960	100.0
774.47229	26.6
833.51245	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	833.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.8
61.98825	1.4
70.29965	1.6
71.01384	1.8
89.02443	0.9
101.02425	1.2
122.97592	0.5
161.47417	0.5
209.73898	0.6
227.37598	0.5
235.08215	2.2
253.09302	4.0
277.21719	100.0
278.22052	11.0
360.07413	0.6
785.27496	0.5
867.30682	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	834.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	40.7
61.98835	18.3
70.65509	2.7
70.65907	3.9
71.01388	45.2
71.05027	3.3
72.99305	3.8
73.02962	6.6
75.00922	1.5
79.57881	1.5
83.01395	6.1
85.02962	18.5
86.00066	1.9
87.00883	8.6
89.02447	35.0
95.01398	6.0
96.96013	21.1
99.00894	3.1
99.92610	3.0
101.02445	30.2
113.02454	27.8
115.07646	48.0
115.92056	2.2
116.07996	1.6
116.92864	8.9
119.03505	11.0
125.02433	4.8
131.03508	11.9
133.02995	2.3
135.04510	2.9
143.03508	4.4
145.29176	1.3
156.10313	6.9
158.11899	8.2
159.03004	2.0
161.02440	4.9
161.04552	19.7
167.14426	17.8
179.03426	2.5
179.05608	33.6
180.05948	1.8
203.05583	3.0
209.11807	1.8
211.13385	21.7
221.06651	26.0
222.07068	1.7
229.14465	21.0
241.18097	34.2
242.18521	3.2
255.19676	1.6
263.07733	12.4
265.18167	8.1
265.20535	1.3
267.19720	2.3
270.20703	1.7
283.19165	12.9
284.19629	1.6
307.19156	4.4
308.19214	2.4
308.22327	17.3
309.22733	1.9
326.23267	4.8
330.62546	1.4
406.29352	2.1
424.30673	100.0
425.31076	16.0
448.30594	3.9
466.31689	6.1
467.32529	1.6
487.25204	3.1
632.69965	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	832.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.89189	0.6
60.01720	1.1
64.11584	0.7
68.01418	12.1
71.01387	13.3
71.01756	1.0
73.02950	3.9
78.95925	1.2
81.03462	3.3
82.02975	1.3
83.01387	2.0
83.05028	8.7
85.02953	6.8
87.00880	0.7
87.58305	0.6
89.02477	0.9
95.01402	0.9
95.77573	0.6
97.02969	2.0
99.00890	1.5
101.02464	5.9
108.04572	0.8
109.02984	1.3
110.02473	8.6
113.02453	4.3
116.05080	0.8
119.05047	1.4
124.04060	1.1
125.07234	0.9
131.03789	1.2
134.58876	0.6
135.04552	4.8
144.04567	1.1
145.05096	1.1
147.04529	21.4
148.04916	1.1
152.03632	0.6
157.05328	0.7
158.06154	2.6
159.02998	1.4
161.04575	10.6
161.05853	1.1
170.04579	0.9
186.05634	1.1
188.05632	3.4
189.05646	2.5
203.05595	10.8
224.17699	1.7
225.16061	7.6
229.40858	0.7
229.43181	0.7
230.06691	41.0
231.07095	2.4
276.08743	14.4
276.11615	0.8
277.09204	1.2
292.06760	0.6
294.09894	1.7
324.27023	0.8
333.22980	1.1
336.10922	10.9
337.97263	0.7
367.27322	1.1
433.32007	4.8
451.32880	80.3
452.27029	0.5
452.33246	15.3
551.73804	0.7
619.96667	0.7
690.99561	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	833.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01729	1.8
60.50183	0.5
60.51760	0.5
70.44334	0.5
71.01389	6.8
71.62792	0.7
73.02951	2.8
83.01389	1.6
85.02943	2.9
88.85194	0.5
89.02478	0.8
99.00887	1.1
101.02452	5.3
113.02479	3.3
132.63687	0.5
133.03035	0.6
159.03062	0.9
161.02495	1.3
161.04649	2.2
162.75287	0.5
221.79016	0.5
241.54805	0.5
373.18491	0.9
373.22501	6.5
415.23352	8.3
416.23975	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	830.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98832	16.7
71.01390	0.6
71.62953	0.6
72.99310	12.2
79.02253	0.5
90.44578	0.5
93.03454	0.6
97.06626	0.5
105.03445	0.8
108.02219	0.6
109.02953	3.7
117.03470	0.9
121.02951	3.0
122.03725	0.7
123.04509	2.5
123.25060	0.5
132.02188	1.1
133.02960	27.9
134.03822	4.7
135.04527	13.3
136.04823	0.6
137.02464	4.1
139.04021	1.6
145.02925	0.9
149.02452	5.1
150.03221	7.3
151.04018	15.6
152.04321	0.8
161.02446	100.0
162.02782	6.3
163.92662	0.5
174.03171	0.6
177.01991	0.6
178.02725	11.1
179.03482	12.2
180.03891	1.2
191.10815	0.6
195.03052	0.6
196.03732	0.6
197.04463	0.9
197.06221	0.5
209.09470	0.4
209.11775	0.7
219.17099	0.5
231.10274	1.5
250.06499	0.7
255.06497	0.6
267.06641	7.4
268.07141	2.1
275.09259	1.7
283.06250	1.1
293.10275	8.3
294.10568	0.9
310.04779	2.2
311.05609	14.1
311.09058	0.9
312.06290	1.6
313.07089	2.3
314.07288	0.6
329.00003	0.5
358.06741	1.3
359.07419	0.8
455.13467	45.0
456.13797	7.3
491.09824	1.4
582.15790	0.8
587.16406	1.0
617.16760	0.6
767.20001	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	831.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.4
59.29887	0.7
61.98831	4.4
67.05656	0.6
71.01373	0.9
71.64899	0.6
78.95906	100.0
80.96508	1.4
82.66416	0.6
91.44317	0.5
92.92818	2.8
94.45163	0.6
96.96965	20.9
109.24437	0.5
116.97263	2.4
134.98518	0.9
146.96625	0.7
152.99597	22.4
223.00122	7.4
241.01205	32.1
242.01611	1.0
255.23296	58.8
256.23651	4.3
259.02182	2.2
275.44537	0.6
277.21735	36.0
278.21982	3.1
297.03870	1.6
332.65231	0.6
338.93719	0.8
391.22577	6.3
413.20697	1.1
553.20575	0.7
553.27826	3.7
554.28503	0.7
709.06805	0.8
830.70984	0.7
831.50269	64.5
832.50684	18.5
835.86591	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	827.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.25558	0.3
60.01712	1.1
71.01386	9.0
72.99296	0.3
73.02951	3.6
73.04434	0.3
75.00915	0.3
79.43423	0.3
82.25340	0.3
83.01390	1.5
83.05058	0.5
85.02941	3.0
89.02451	3.5
95.01400	0.8
96.38731	0.3
97.02973	0.4
99.00894	0.8
101.02442	6.2
101.03069	0.4
108.29103	0.3
111.51078	0.3
113.02457	4.3
119.03509	1.7
143.03516	0.8
149.04565	0.9
159.03003	0.3
161.02507	0.7
161.04558	3.9
179.05630	1.2
203.05635	1.7
209.15436	0.7
335.01892	0.3
342.44772	0.3
371.20734	2.0
413.21838	3.0
414.22165	0.8
831.51062	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	829.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.8
59.01381	100.0
60.01717	1.4
71.00990	1.0
71.01382	19.9
71.01757	1.3
72.99312	0.7
73.02949	27.1
75.00903	0.7
83.01400	7.8
85.02951	5.0
87.00875	1.0
89.02448	8.8
95.01376	1.3
98.19734	1.3
101.02444	31.1
113.02449	15.4
114.02843	0.8
119.03505	6.4
125.02480	1.3
131.03534	4.1
137.09724	6.6
143.03474	3.6
144.32518	0.6
149.04570	8.4
161.02492	0.9
161.04572	13.8
179.05679	0.9
187.11240	0.8
189.12874	1.1
191.05603	0.6
203.05658	2.2
221.06712	4.0
373.18835	2.8
411.20209	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	829.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	0.6
59.01381	16.0
59.45655	0.3
61.98836	3.4
66.76163	0.3
69.03458	1.4
71.00986	0.8
71.01382	15.0
71.62970	0.5
72.99312	1.4
73.02946	2.8
75.00893	0.6
78.95897	0.4
81.03461	0.6
83.01379	1.7
85.02949	4.3
87.00880	4.1
88.98818	1.1
89.02450	14.0
91.04025	0.4
95.01406	1.3
97.02941	2.6
99.00883	0.8
101.02447	11.7
109.02957	0.4
111.04496	0.5
113.02455	7.7
114.02738	0.5
115.04041	0.4
116.92860	1.5
119.03490	3.2
125.02454	7.1
125.09721	1.0
127.11287	2.3
131.03513	0.6
133.05110	0.8
134.89505	1.1
139.04031	0.8
143.03528	2.8
153.09253	0.6
161.04533	3.9
167.03516	0.7
171.10268	100.0
172.10600	4.9
179.05589	3.4
185.11786	0.4
199.06169	0.4
213.11263	0.7
217.07156	1.1
221.06613	1.1
235.08197	5.7
236.08528	0.4
245.06705	0.5
253.09258	1.2
259.08212	0.8
263.07553	0.4
277.21716	52.0
278.22083	5.7
287.07849	1.8
305.08774	2.2
323.09848	1.1
379.12454	8.9
380.12680	0.7
397.13498	33.5
398.13879	3.0
415.14572	8.4
416.14917	0.5
424.80722	0.3
463.62692	0.4
551.23535	1.2
569.24609	1.7
666.14612	0.4
675.35077	0.5
819.38324	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	827.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.5
59.01381	100.0
60.01718	1.2
66.65739	0.3
68.67330	0.4
69.03433	0.4
69.29545	3.7
71.01384	16.1
72.99315	0.7
73.02531	0.8
73.02948	15.4
83.01390	3.9
85.02956	4.7
85.15313	0.4
87.00900	0.9
89.02442	3.1
95.01413	0.6
97.02950	0.7
98.20695	0.7
99.00898	0.7
101.02445	16.8
107.05099	0.6
113.02450	8.2
114.00513	0.3
119.03489	2.7
119.04862	0.4
125.02478	1.0
131.03554	1.2
135.04567	0.6
137.02422	0.4
143.03490	1.9
147.04526	3.7
149.04568	3.2
149.05769	0.5
149.06006	0.4
153.09265	1.2
161.02496	0.5
161.04593	8.5
161.06065	1.6
162.04950	0.7
163.11317	0.7
165.09282	0.9
179.05692	0.5
179.10806	1.1
186.67365	0.4
187.07672	0.4
187.11287	5.6
188.11613	0.5
189.05582	0.7
193.05061	0.6
203.05637	1.0
205.12433	1.1
221.06651	2.2
223.13507	1.4
226.62450	0.4
235.06129	0.6
269.10315	5.0
296.67572	0.4
311.11374	2.4
323.10034	0.8
367.17419	0.9
385.19180	1.1
427.19812	4.7
428.20529	0.4
453.12167	0.4
471.15155	1.2
723.41687	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	827.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	24.5
61.98842	10.4
69.42366	10.4
82.25871	1.0
106.55363	1.1
116.92913	2.2
122.06105	2.2
132.04535	5.4
133.02959	1.2
134.06133	14.1
135.04504	1.2
145.80501	1.2
152.07138	1.3
152.63126	1.1
158.02470	2.6
159.05629	1.3
161.02414	1.7
162.05597	1.1
176.03467	2.8
179.03622	1.3
190.05083	10.8
194.08263	2.4
198.09225	6.4
205.44405	1.2
212.05910	2.1
212.10901	1.4
225.06607	2.2
226.07414	5.8
235.08754	2.2
239.08240	2.0
240.08914	2.7
241.09822	100.0
242.10185	7.2
249.10318	2.2
251.12006	2.0
255.11392	20.7
256.12164	71.8
257.12704	9.6
263.08240	2.6
277.09811	2.4
278.10468	2.6
279.11365	4.7
300.11154	56.6
301.11661	6.1
305.09277	2.2
309.12488	1.6
323.10321	8.5
325.11987	3.7
337.11969	20.0
338.12512	3.1
339.08813	2.2
341.11353	1.2
355.12967	3.6
383.12466	6.7
397.14029	29.9
398.14709	13.3
399.15048	1.3
430.13712	7.5
431.14389	1.4
487.34402	1.2
550.05090	1.1
801.19989	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	827.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.7
59.01381	100.0
60.01699	1.1
69.03462	0.4
69.44901	0.6
69.45316	1.1
71.01382	12.0
72.99321	0.5
73.02948	11.5
83.01391	3.4
85.02947	2.2
87.00900	0.5
89.02450	4.7
95.01409	0.6
99.00907	0.4
101.02444	11.9
102.02758	0.2
113.02461	5.3
119.03499	2.5
125.02499	0.3
131.03490	1.1
143.03500	1.4
149.04585	2.4
155.03519	0.5
161.02469	0.5
161.04565	4.3
161.05830	0.3
171.88580	0.2
179.05676	0.8
185.00276	0.2
203.05641	0.6
221.06615	1.2
235.94786	0.2
323.03729	0.2
371.20709	1.1
413.21762	3.4
414.22446	0.5
424.28998	0.3
514.44049	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	827.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	34.4
60.01686	0.5
61.07652	0.5
62.28829	0.7
62.96611	0.5
69.03457	0.6
69.83601	2.3
71.01388	10.6
72.99297	1.2
73.02946	9.9
83.01384	3.6
85.02942	1.9
87.00867	1.1
89.02444	3.4
93.03439	0.7
98.19957	1.0
101.02450	14.3
102.02776	0.6
105.03465	0.9
108.02248	0.7
109.02958	16.3
113.02448	6.6
117.03448	1.5
119.03483	1.8
119.05010	1.2
121.02964	1.2
121.06591	3.3
123.04517	0.6
131.03471	1.5
133.02971	2.9
133.36372	0.5
134.03639	0.8
135.04517	1.1
137.02412	1.1
137.09785	2.6
143.03506	1.7
143.05058	1.1
145.02960	28.4
146.03752	26.5
147.04570	3.1
149.02460	0.9
149.04587	3.0
150.03206	1.6
151.04015	0.7
153.07919	0.5
157.02962	1.2
158.03731	0.7
159.04521	4.1
161.02486	5.6
161.04567	6.2
163.04077	2.7
165.05655	0.5
173.02440	12.3
174.03062	1.6
175.04002	1.9
177.01924	1.0
177.05585	3.6
179.03372	0.6
181.05032	0.8
187.04088	2.5
188.04715	1.4
189.01927	1.2
189.12854	1.1
190.02716	15.3
191.03314	1.4
195.06610	0.7
197.04401	0.5
202.02715	1.3
203.03494	1.9
203.05476	0.6
204.04216	3.5
205.05051	100.0
206.05379	7.2
217.05038	14.1
218.05602	0.9
221.06493	1.7
224.04779	0.6
229.01389	6.5
237.05658	0.6
239.07190	1.3
249.05585	2.0
250.06155	0.9
261.04053	5.2
265.05060	0.6
266.05496	0.5
267.06570	5.7
268.07404	1.2
277.05124	3.5
278.05551	0.6
293.04553	0.8
294.05212	0.9
295.06100	9.9
296.06424	1.5
309.07553	0.8
325.06882	0.7
327.08734	29.1
327.55014	0.5
328.08948	4.3
339.05023	5.8
340.05359	0.6
371.07721	61.6
372.07977	7.6
501.32321	1.4
503.33868	5.2
504.34308	0.7
545.34601	0.8
584.73279	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	827.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.5
59.01379	12.8
69.03456	3.6
69.52782	1.7
69.53209	1.4
71.01381	7.1
72.99326	0.5
73.02942	1.7
81.03437	0.8
83.01396	0.8
85.02959	0.6
87.00837	0.6
89.02441	11.4
95.01391	1.6
97.02949	17.2
98.19814	0.6
99.00880	3.5
101.02448	5.8
109.02938	0.6
113.02450	1.3
119.03541	0.4
119.04947	0.5
125.02444	100.0
126.02803	3.8
131.03510	1.7
135.04626	0.4
143.03499	0.6
149.04553	11.6
161.04555	0.9
163.04037	0.6
179.03442	0.9
191.05603	2.3
203.03322	0.4
203.05649	2.0
221.06667	1.4
251.07744	0.6
283.05051	0.4
293.08847	0.8
311.09869	1.4
329.08817	6.5
330.09271	0.7
349.78195	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	825.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
71.63043	9.5
85.20766	8.3
107.50697	9.2
144.11090	8.6
152.31012	7.2
152.33862	8.6
182.48094	7.2
184.53186	8.8
584.45386	9.9
748.93365	10.4
813.78632	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	827.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.1
59.27216	1.6
60.99335	1.6
61.98831	9.7
71.01380	3.4
72.99316	2.2
79.95725	3.2
81.95352	1.9
88.98802	4.8
96.96011	100.0
97.95940	5.0
98.95591	38.5
98.96428	4.6
99.92578	21.2
103.00365	14.0
115.92065	6.1
116.92862	18.4
120.74400	1.6
133.02916	2.3
134.06110	4.9
135.04526	3.5
141.93593	3.8
152.07191	3.1
158.93913	3.0
161.02434	6.1
211.08704	1.7
212.10895	2.5
225.10419	2.0
238.07475	3.4
239.08217	3.5
240.08998	4.5
241.09807	4.5
253.09802	5.3
255.11354	18.6
256.11691	2.7
257.12918	1.9
337.02850	6.4
379.67181	1.6
437.04019	2.1
481.07263	2.3
521.15601	1.9
528.71497	1.8
540.09100	2.1
563.03961	1.9
586.09888	2.6
595.14459	2.2
623.78674	2.0
653.24823	3.5
661.17383	5.8
671.15491	3.0
675.15588	3.0
679.18420	2.3
685.27625	2.7
693.16241	3.7
703.18304	10.3
704.18817	3.5
705.15723	4.8
721.19641	6.5
723.17096	10.0
724.17255	2.4
733.16064	3.0
735.17914	4.7
737.15509	4.7
747.16791	6.3
748.17792	2.8
765.18787	6.8
779.16254	5.3
780.16479	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	827.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01720	1.2
66.41893	0.3
69.67776	1.9
71.01384	12.9
72.99309	0.7
73.02952	10.7
74.03329	0.3
75.00884	0.4
83.01398	3.4
85.02954	5.1
85.19609	0.3
87.00895	0.9
89.02457	1.7
95.01402	0.8
97.02966	0.5
99.00879	1.8
101.02448	12.6
102.02782	0.4
107.05053	1.1
113.02457	6.4
115.03098	0.4
119.03552	1.1
125.02456	0.8
131.03551	0.8
131.05087	0.8
133.06679	0.4
134.03790	0.9
135.04543	0.5
143.03476	1.5
147.04524	8.4
147.05611	0.6
148.04878	0.4
149.04538	1.6
159.02980	0.6
160.01741	0.6
161.02534	0.5
161.04607	6.9
161.06125	4.5
163.11348	1.2
171.08144	0.7
175.04045	0.5
176.04816	0.4
179.05620	1.0
187.11287	10.1
188.11661	0.6
189.05579	2.1
193.05144	0.9
199.20726	0.4
203.05635	0.6
205.12337	1.9
221.06744	0.9
235.06160	1.6
246.42210	0.3
249.07918	0.4
265.07208	0.6
267.06833	0.4
269.10306	8.3
270.10764	1.1
295.08344	1.1
311.11337	4.1
311.14154	0.4
323.09781	1.5
329.84039	0.3
355.10437	0.8
367.17722	0.6
427.19727	0.4
471.15106	3.2
472.15619	0.5
608.59314	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	825.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.5
59.01383	41.7
60.01721	0.8
69.88041	2.5
71.01386	9.9
72.99310	1.0
73.02932	0.8
83.01391	0.5
85.02953	2.1
87.00864	0.8
89.02447	10.3
93.03449	2.1
94.36904	0.4
95.01375	0.5
101.02438	6.8
109.06586	0.5
113.02457	4.2
119.03485	3.3
125.35961	0.4
125.36969	0.5
137.02449	4.7
149.02425	2.3
150.02756	1.3
152.01176	0.5
163.04025	0.6
163.11293	4.3
164.04791	2.8
164.11694	0.5
165.05135	0.7
166.05272	0.4
179.07079	1.1
180.13376	0.4
193.01430	1.3
194.01665	0.7
207.10266	8.0
208.03807	4.2
208.10660	1.0
209.04102	1.7
210.04144	0.9
223.06116	8.3
224.06470	4.9
225.06657	2.1
225.11330	0.5
227.12895	1.9
249.06180	0.9
316.04950	0.5
385.11285	1.2
386.11621	1.8
387.16602	100.0
388.16974	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	825.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.9
60.99309	17.6
61.98834	0.5
71.01382	3.3
71.62717	0.3
72.99306	0.4
73.02958	1.5
74.33263	0.2
83.01373	0.8
83.68681	0.3
85.02962	0.8
88.98809	100.0
89.02440	0.6
89.99138	0.9
95.01411	0.6
96.96021	1.3
101.02441	3.5
111.43410	0.3
113.02422	1.3
125.02414	0.4
133.02957	0.8
135.04486	0.6
136.54245	0.3
155.03444	0.3
161.02440	1.4
161.04588	0.4
177.02003	0.3
179.03513	0.5
203.05568	0.5
219.65054	0.3
223.34633	0.3
432.11838	0.3
435.32455	0.4
487.34305	11.8
488.34650	2.7
529.35236	2.0
530.35999	0.6
568.18524	0.3
617.39551	0.3
635.40088	0.6
695.42554	0.4
765.48102	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	825.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38834	0.4
58.60545	0.4
59.01393	3.8
60.99311	18.0
65.06155	0.5
71.01382	2.1
71.62975	0.6
72.99318	1.1
73.02949	1.9
83.01391	0.7
87.19260	0.4
88.98810	100.0
89.02461	0.5
89.99133	1.2
96.96008	1.3
99.00916	0.6
101.02436	1.9
116.92870	1.7
123.04555	0.7
133.02980	1.7
135.04520	4.0
139.21831	0.5
140.04117	0.4
145.02953	0.8
149.02457	0.6
161.02457	8.1
162.02753	0.7
179.03508	2.0
197.04562	1.3
258.65286	0.5
311.05667	1.0
359.07712	1.3
443.95633	0.5
469.33203	0.7
487.34354	11.2
488.34589	2.5
529.35431	0.6
706.32050	0.6
708.37585	0.6
744.78485	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	825.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89048	0.3
59.01385	4.0
60.99309	17.4
61.98818	1.1
66.46175	0.3
69.84703	1.7
71.01381	2.8
72.99315	0.5
73.02949	1.0
83.01362	0.4
85.02936	0.5
87.78360	0.3
88.98808	100.0
89.99155	1.3
96.96020	1.1
99.00892	0.4
101.02457	2.3
109.02954	0.4
113.02443	0.8
116.92822	0.4
132.02118	0.4
133.02957	0.8
135.04584	1.5
137.02451	0.5
161.02438	2.1
179.03432	0.5
203.05624	0.3
212.54646	0.3
267.06769	0.4
309.29947	0.3
309.96625	0.3
311.05667	0.4
350.18213	0.3
427.32498	0.5
440.37933	0.3
469.33429	0.7
487.34262	11.5
488.34641	2.5
501.35562	0.4
507.25693	0.4
610.69617	0.4
765.44641	0.6
783.46033	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	823.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71367	0.4
59.01387	7.0
61.98835	2.2
68.84582	0.3
69.03448	1.5
69.23076	0.4
71.01384	7.0
71.18002	0.7
72.99285	1.0
73.02950	1.7
83.01372	1.5
83.05022	0.6
84.02180	0.5
85.02951	9.6
85.06601	0.5
87.00890	1.8
87.04485	0.4
89.02454	4.5
91.03994	0.4
95.01385	0.9
97.02953	1.9
97.06610	1.7
99.00890	0.7
101.02448	7.2
103.03966	0.5
111.04499	0.4
113.02458	4.2
115.03963	0.5
116.92883	0.4
119.03490	1.4
125.02436	0.6
125.09693	0.5
127.11231	0.7
133.05042	1.2
137.09706	1.7
143.03519	0.9
145.05049	1.4
155.10764	0.7
157.05118	0.5
161.04564	3.9
171.10277	16.9
172.10631	0.7
179.05618	0.8
183.13908	5.8
184.14079	0.4
193.12308	0.5
195.13867	1.3
197.11891	0.8
201.11240	0.5
209.11736	0.5
211.13388	6.2
212.13675	0.6
221.11687	0.7
223.16869	0.5
229.14421	2.6
233.58208	0.5
235.08237	18.1
236.08493	1.1
239.12854	0.8
251.16479	1.3
253.09290	24.3
254.09547	1.3
259.20563	0.5
277.21722	100.0
278.22079	10.1
291.19659	3.5
292.20117	0.5
293.21375	2.2
294.21445	0.4
295.22769	4.2
296.23184	0.4
309.20731	11.7
310.21066	2.0
311.22333	1.6
327.21768	63.8
328.22134	7.0
398.56253	0.4
423.45535	0.4
513.30762	0.5
545.29492	1.8
563.30695	1.5
587.43274	1.9
588.43756	0.5
619.15894	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	824.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.93858	1.3
78.95897	0.3
87.96722	0.2
113.91640	0.2
116.92878	0.4
214.46933	0.2
235.81190	0.3
286.10089	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	824.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98534	0.2
68.30032	0.1
77.26260	0.1
77.61205	0.1
78.95940	0.2
98.20673	0.2
103.73370	0.1
105.35395	0.1
174.28545	0.1
185.12030	0.1
310.16745	0.1
450.10370	0.2
803.69342	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	825.23
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10576	0.2
59.01381	2.8
60.99304	0.2
61.01792	0.2
61.98830	0.9
69.36853	1.8
71.01379	0.8
73.02955	0.2
79.95744	4.0
83.01419	0.3
85.02955	0.6
88.98801	1.9
89.02457	0.3
96.96013	100.0
97.95953	0.2
98.20578	0.4
99.00874	0.2
101.02403	0.5
113.02444	0.4
113.93333	0.2
122.06127	0.4
133.03008	0.3
134.06114	0.7
135.04491	0.3
161.02415	0.6
201.96587	0.2
213.10362	0.8
239.11946	0.3
241.13527	0.3
255.11302	0.3
285.12436	1.7
293.12949	0.3
296.16861	0.2
298.45432	0.2
358.15536	0.4
400.16565	0.3
405.62802	0.2
442.79272	0.2
529.35516	0.9
565.24249	0.3
607.25427	1.9
608.26337	0.4
612.18738	0.2
617.39172	0.3
624.38654	0.2
635.39764	0.4
644.76398	0.2
651.24677	3.9
652.24823	1.2
659.56372	0.2
683.26959	2.3
684.27661	0.6
695.42450	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	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.4
61.98832	100.0
69.84871	22.0
71.01366	4.0
83.61909	4.1
88.08654	3.9
101.02449	4.9
122.30985	4.0
127.11774	3.7
163.84865	3.9
195.13867	6.0
199.01894	3.9
217.15959	4.3
235.65163	3.4
249.18605	88.9
249.53700	3.7
250.18776	9.9
253.09258	26.6
263.39536	3.7
275.20120	10.8
277.21674	10.4
290.69327	4.1
293.21234	95.4
294.21552	10.9
355.83902	3.8
396.43655	4.1
529.29883	4.2
575.72534	4.2
576.14423	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	821.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.98833	26.6
63.99256	0.8
71.63147	1.0
78.95914	0.6
87.83477	0.8
121.54766	0.7
126.00241	0.6
145.53661	0.7
253.09250	1.9
260.66724	0.9
277.21680	1.4
291.19510	1.6
293.21228	4.6
294.21606	1.6
307.18924	0.8
308.19656	1.1
309.20352	1.0
311.22348	1.2
469.33197	100.0
470.33524	17.1
487.88486	0.7
546.56134	0.8
821.52570	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	823.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	57.2
60.01707	1.0
61.98829	0.9
68.99825	1.5
69.03464	1.0
71.01385	26.5
71.62405	1.6
72.99303	5.4
73.02945	11.8
75.00884	6.8
75.62551	0.8
83.01357	4.0
84.02203	1.0
85.02952	37.2
87.00866	4.7
89.02446	6.3
95.01402	10.9
99.00894	11.4
101.02455	12.0
103.00382	4.1
108.02177	1.9
111.00884	0.9
113.02454	68.9
114.02781	2.0
115.00394	2.2
117.01960	4.2
118.58839	1.0
119.03490	2.1
119.05000	1.2
129.01921	2.6
131.03564	1.1
133.03053	1.4
135.04524	2.2
143.03531	1.0
145.02957	8.4
149.04579	1.6
151.00424	0.9
152.01155	3.6
157.01453	1.3
161.02415	2.0
161.04555	4.1
167.03511	5.1
171.44029	0.8
175.02486	29.1
176.02846	0.9
179.03493	2.0
193.04988	1.2
203.05663	1.0
221.06630	1.7
229.92963	0.8
256.03781	2.1
284.03268	100.0
285.00745	1.2
285.03561	7.4
298.04620	1.1
299.05603	83.8
300.05902	6.8
307.08249	5.8
371.07712	1.6
431.22632	1.4
475.08640	51.6
476.08850	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	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
57.34789	0.8
59.01375	8.4
61.98828	5.3
68.31898	0.9
69.35713	3.7
69.36134	4.4
71.01384	6.3
71.01743	0.8
71.05051	0.9
73.02956	1.0
80.96500	0.9
83.05023	0.9
85.02953	2.0
87.00871	1.2
89.02444	4.0
95.05022	1.0
96.96033	1.3
99.92590	1.4
101.02424	5.7
108.05257	0.9
109.79934	0.9
111.08168	9.3
113.02447	3.2
113.09734	0.9
115.92081	5.7
116.92120	0.9
116.92873	3.5
137.09772	0.9
150.56227	1.1
161.04565	2.3
167.10814	2.0
177.12747	2.0
179.10803	2.4
195.13892	15.5
196.14337	1.4
200.30618	1.0
205.12257	1.3
209.11861	1.1
211.41510	1.1
223.13377	5.8
228.13739	1.0
235.08270	2.5
247.20718	1.9
253.06921	1.6
253.09291	17.4
256.13159	2.2
273.18454	1.4
275.20129	7.2
276.20474	1.1
277.21698	3.9
291.19659	100.0
292.19974	10.1
293.21228	89.3
293.24667	1.5
294.21490	9.5
295.22635	1.7
307.19101	1.3
309.20648	2.5
311.63873	0.9
325.20203	0.9
456.81381	0.9
501.74799	0.9
527.28754	1.6
785.90326	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	821.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.00602	0.6
59.01373	5.9
61.98828	23.5
67.98873	0.5
69.03432	0.8
69.92921	1.1
69.93314	1.4
71.01370	5.5
73.02950	1.3
78.95890	0.5
85.02950	1.1
87.00889	0.7
89.02438	3.6
101.02460	4.9
109.06594	0.7
111.08161	7.7
113.02454	2.9
113.09716	0.6
119.03513	1.2
127.07614	0.8
153.12833	0.7
161.04579	2.9
167.10765	0.6
169.12320	3.7
171.10251	1.1
174.83641	0.6
177.12801	0.8
179.05618	0.5
179.14455	1.1
181.12325	1.1
183.13870	0.7
195.13866	7.3
197.11813	33.1
198.12158	2.0
199.13383	2.2
205.12227	0.8
211.13359	7.5
223.13399	5.6
224.13737	0.6
228.13640	1.4
235.08257	3.0
253.09279	29.8
254.09625	2.0
256.13177	1.3
263.20062	2.7
265.17953	0.6
275.20215	4.5
277.21707	0.7
291.19662	12.7
292.20010	2.3
293.21213	100.0
294.21512	10.3
309.20697	51.8
310.20987	5.8
529.30365	1.6
545.29712	1.1
585.41919	2.6
768.07788	0.5
821.53088	0.6
836.05414	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	821.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.9
59.01382	63.0
61.98827	6.3
71.01383	19.4
71.20819	1.7
72.99291	2.4
73.02945	19.1
83.01381	6.7
85.02948	2.0
96.95985	2.7
97.02949	1.2
99.00921	0.9
101.02449	27.8
109.02940	0.9
113.02464	4.1
116.92915	1.0
125.02429	2.2
131.03549	1.6
133.02991	2.7
135.04553	4.6
137.02435	0.8
143.03517	2.3
149.02390	1.0
152.01140	1.2
155.03482	1.5
161.02454	8.4
161.04541	3.6
179.03517	4.2
197.04585	0.9
203.05560	3.5
267.06683	1.0
310.90790	0.9
311.05560	1.8
404.28226	0.9
455.13452	0.9
469.33212	30.3
470.33530	8.0
471.34671	5.2
472.35666	1.0
487.34280	25.9
488.34689	5.5
501.35736	1.7
529.35345	100.0
530.27991	1.7
530.35699	23.3
543.37030	7.8
544.37164	2.0
571.36310	2.9
617.40118	1.1
678.17645	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	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
58.00598	0.6
59.01376	5.4
59.54390	0.5
61.98830	45.1
69.03441	0.9
70.08817	1.5
71.01373	4.8
73.02949	1.2
78.95916	0.5
80.96514	0.6
83.01389	0.7
83.05010	0.7
85.02949	1.6
87.00870	0.7
89.02446	4.6
97.02941	1.0
101.02445	5.3
109.06625	0.6
111.08157	9.0
112.08455	0.5
113.02464	2.7
115.09126	0.4
117.47031	0.4
119.03481	0.8
125.09710	0.7
141.09258	0.5
143.03505	0.5
161.04553	2.2
165.12856	1.0
169.12325	3.3
171.10281	1.2
179.05611	1.0
179.14401	0.6
181.12318	0.9
183.13983	0.5
195.13867	7.6
197.11823	40.2
198.12140	2.5
199.13423	1.7
205.15927	0.5
211.13385	6.8
223.13358	5.7
227.12845	1.6
228.13690	0.8
231.21225	0.5
235.08215	2.5
247.20743	1.0
249.22720	0.5
253.09270	29.7
254.09595	2.0
256.13174	1.6
263.20209	1.5
265.18155	0.5
273.18591	0.7
275.20132	6.4
276.20258	0.6
277.21640	0.7
291.19638	20.1
292.20007	2.2
293.21219	100.0
294.19025	0.3
294.21539	10.3
309.20700	61.9
310.21045	6.7
433.20844	0.5
529.30383	0.8
545.29755	1.5
571.79956	0.5
585.41681	1.9
586.41815	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	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01389	6.5
61.98831	32.6
65.08775	0.6
69.03458	1.0
69.96452	3.8
71.01385	5.2
73.02961	1.4
80.96506	1.2
83.05021	0.9
85.02947	1.6
89.02437	4.3
96.96006	0.9
97.02931	2.2
101.02417	5.1
106.37858	0.6
111.00878	0.8
111.08138	4.8
113.02448	3.2
119.03493	1.3
126.90578	0.6
127.07679	0.7
137.09779	0.7
143.03497	0.8
161.04535	2.1
165.12866	1.1
169.12338	2.2
171.10303	2.9
177.12946	0.9
179.05432	1.2
179.14481	1.5
181.12315	1.2
183.13879	1.1
193.12350	1.5
195.13878	9.3
197.11829	19.1
198.12247	1.6
199.13409	1.1
209.11758	0.8
211.13313	5.9
223.13351	7.1
227.12906	1.4
235.08205	1.6
247.20598	0.9
253.09276	30.1
254.09656	1.4
256.13107	1.2
256.48550	0.7
263.20172	1.9
273.18533	2.0
275.20157	6.3
276.20520	0.7
291.19659	27.5
292.19940	3.0
293.21228	100.0
294.21533	8.7
309.20712	71.9
310.21109	7.6
329.58868	0.8
349.95660	0.7
529.30176	1.3
545.29620	1.3
585.41534	1.7
711.02747	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	820.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.65714	0.2
69.72082	0.4
69.72484	1.2
70.47469	0.2
70.74387	0.2
75.15441	0.2
77.29911	0.2
79.95717	0.2
80.96512	0.3
81.26318	0.2
94.98129	0.3
98.20588	0.4
119.10497	0.2
236.76424	0.2
277.21738	0.5
325.19803	0.2
354.93842	0.2
421.87836	0.2
511.62012	0.2
526.92554	0.2
820.53101	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	821.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64594	0.4
59.01384	2.5
68.99804	0.9
69.58111	3.1
71.01383	2.8
72.99313	17.5
73.02956	2.7
73.03285	0.4
73.99629	0.5
81.03459	0.6
83.01381	0.5
85.02936	1.1
87.00874	7.9
93.03456	0.6
95.01363	0.5
99.00896	0.6
101.02448	0.6
108.02176	22.9
109.02969	8.5
111.00887	1.6
113.02426	0.7
117.02711	0.9
117.03468	9.1
119.05028	1.9
123.04524	7.8
124.04871	0.8
129.01945	10.9
129.47043	0.5
131.39343	0.5
132.02185	0.8
133.02960	22.1
134.03329	2.1
135.03490	1.1
135.04523	18.7
136.04855	2.1
145.02953	26.5
146.03265	1.4
151.04010	0.7
152.01147	34.6
153.01952	9.9
161.02441	100.0
162.01503	0.9
162.02779	14.5
163.02823	2.3
163.04024	1.8
164.03203	0.6
165.01950	1.0
171.25249	0.4
173.00923	4.3
179.02028	0.9
179.03506	12.9
180.03836	2.1
181.03889	0.6
197.04547	21.8
197.06378	1.1
198.04890	2.7
199.05020	0.7
200.05243	0.7
213.05652	0.5
223.02541	0.7
253.03822	0.4
269.04596	3.1
269.07065	0.4
285.04086	2.4
286.04398	0.6
307.08279	1.3
315.07199	12.5
351.64526	0.5
359.07706	36.5
360.08099	7.0
361.08215	3.3
362.08609	1.6
363.09277	0.7
461.10931	61.5
462.11264	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	818.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.98832	100.0
62.98539	0.2
70.36573	0.2
71.01405	0.2
72.99313	0.2
88.98878	0.2
89.60088	0.1
96.96037	0.5
105.76733	0.1
116.92879	0.3
135.04521	0.3
161.02492	0.5
162.02844	0.2
179.03548	0.3
218.73497	0.2
463.88351	0.1
487.34940	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	818.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10987	0.2
59.01377	0.3
61.98832	100.0
69.57431	1.7
78.91921	0.2
78.95941	0.3
80.96521	0.5
86.98302	0.3
88.98818	0.7
98.19913	0.6
118.82735	0.3
121.07290	0.3
132.72681	0.3
142.10353	0.3
161.02463	0.5
182.38957	0.3
211.52518	0.2
476.88638	0.3
487.34708	0.7
488.34805	0.4
819.52979	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	818.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98543	0.2
70.85236	0.4
108.67003	0.2
116.54121	0.1
156.38504	0.1
186.18671	0.2
277.21844	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	819.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01380	94.9
60.01728	1.7
61.98841	0.8
68.99841	0.7
69.03471	0.8
71.01389	2.2
72.99301	1.3
83.01376	0.7
85.02958	3.8
86.00111	3.4
87.00881	1.5
89.02445	0.8
95.01386	3.9
98.20609	2.9
99.00901	2.7
101.02470	1.8
103.00394	1.3
108.02193	1.1
109.02963	1.5
111.00883	4.6
113.02467	5.8
123.00889	1.5
133.02979	2.1
135.04536	3.7
137.02441	0.9
141.01944	13.9
145.02963	1.9
147.04533	1.2
148.05305	96.6
149.05627	5.1
150.06821	3.2
153.01938	2.0
154.29916	0.7
159.02979	3.1
161.02464	6.9
162.02795	0.8
163.07651	100.0
164.08000	5.0
179.03453	2.1
179.10780	2.8
197.04507	1.4
201.04056	1.1
223.09808	1.1
230.23869	1.0
267.06757	1.1
290.77045	0.7
524.57886	0.8
657.42072	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	817.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06321	0.5
59.01089	0.9
59.01379	16.5
65.06154	0.5
69.62766	1.8
69.63176	1.5
71.01376	2.8
72.99308	17.1
73.02936	2.1
83.01422	0.6
85.02932	1.4
87.00887	0.8
89.02486	1.2
93.03470	0.7
101.02441	2.0
105.03447	0.7
109.02969	1.3
113.02473	1.6
117.03423	0.5
123.04527	7.7
132.02168	1.5
133.02956	23.2
134.03720	1.5
135.04532	21.4
135.13876	0.5
136.04900	1.2
137.02501	0.8
143.41545	0.5
152.03549	1.2
161.02443	100.0
162.02797	5.4
163.03986	0.5
177.01952	1.2
179.03494	15.9
179.10762	0.9
180.03880	1.1
195.10202	0.5
197.04549	20.7
198.04980	1.3
201.40811	0.5
203.10869	1.5
206.09555	0.8
221.11784	5.2
225.54962	0.5
238.41565	0.5
269.04553	0.7
358.06427	0.6
359.07718	42.1
360.08075	4.1
431.10052	0.6
603.87335	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	817.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.0
63.46305	0.6
69.91723	0.5
70.03859	2.9
72.99308	15.7
117.03484	0.7
123.04523	8.3
127.11620	0.5
129.01970	0.6
133.02956	21.9
135.04529	16.7
137.04257	0.6
146.22430	0.6
151.04071	0.8
161.02443	100.0
162.02753	4.5
179.03496	14.9
180.03851	0.9
197.04547	20.3
198.04897	1.2
359.07693	42.8
360.08084	4.3
540.46521	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	817.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33923	0.4
59.01384	23.3
60.01719	0.5
69.31306	4.1
70.86353	0.4
73.62189	0.4
80.05087	0.8
88.15175	0.4
98.19763	0.6
101.02431	0.5
104.05072	4.5
106.06637	4.7
108.04558	2.6
109.02955	3.2
116.05073	0.7
120.04507	0.7
122.06123	1.6
132.04561	18.7
133.04971	0.7
134.06123	34.0
135.04536	0.9
135.06450	1.3
141.77557	0.5
142.41418	0.4
144.04538	2.1
147.04498	1.3
148.04027	4.4
152.07193	2.1
158.06100	4.8
159.04518	5.3
159.06497	0.5
160.03986	4.0
161.02412	2.5
162.02753	0.6
162.05611	0.6
174.05650	0.9
176.03517	4.8
177.03978	0.5
177.88507	0.4
179.03488	0.8
179.66103	0.5
188.03522	4.8
189.04240	0.9
190.05194	0.6
194.08289	0.7
197.04562	0.7
202.05083	1.5
208.06157	5.5
220.06116	0.8
221.07213	1.1
223.12334	1.3
225.10297	0.6
227.11916	1.5
235.08751	1.3
236.09393	0.5
249.10381	0.9
251.11899	12.1
252.12283	1.1
253.09882	1.3
255.11417	4.2
260.68890	0.4
263.08340	0.6
267.11401	2.5
269.08188	1.1
277.09918	0.5
279.11377	23.5
280.11679	3.2
293.09412	0.6
295.10880	8.5
296.11438	0.6
297.12552	0.9
323.10355	28.5
324.10657	3.7
330.94907	0.5
337.11938	2.2
339.13428	0.9
341.11411	2.6
355.12985	52.3
356.13284	5.1
359.07645	0.5
373.14160	1.6
383.12500	11.0
384.12869	1.0
387.40839	0.4
415.15103	100.0
416.15396	16.0
626.17090	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	815.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.5
59.01384	41.8
60.01719	0.6
71.01388	8.1
71.66331	0.6
72.81235	0.4
72.99293	0.6
73.02944	0.7
79.78786	0.4
82.34499	0.4
83.68991	0.4
85.02972	1.7
89.02450	9.1
95.01393	1.0
101.02450	6.5
113.02433	3.2
119.03512	3.5
135.04523	1.8
141.37328	0.4
142.19466	0.4
145.02950	0.4
146.03738	24.6
147.04158	1.3
147.50058	0.4
149.51683	0.4
151.16286	0.4
161.04739	0.9
161.06078	7.2
162.25610	0.4
163.04054	0.6
163.11275	4.4
164.04805	14.7
165.05113	1.2
179.03604	1.3
179.07137	36.5
180.07457	1.5
207.10266	7.4
208.10564	0.5
225.11124	0.8
300.41080	0.4
387.16611	100.0
388.16916	11.7
393.45627	0.4
848.46997	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	815.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.0
61.98827	9.1
62.80900	1.7
64.56425	1.5
71.01393	4.0
72.75896	1.6
78.95889	4.5
83.05026	3.7
85.72824	1.8
89.02471	1.9
101.02412	1.6
116.92873	2.6
137.09753	1.6
152.99519	1.6
163.11284	2.0
171.10185	3.1
196.63516	1.6
209.11818	100.0
210.12177	5.9
227.12883	13.4
235.08359	2.7
253.09261	8.6
257.28583	1.8
277.21698	77.8
278.22040	10.6
321.31744	1.7
389.77924	2.3
445.20752	3.9
604.61981	1.9
719.17102	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	816.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.8
60.01690	0.3
67.01906	0.5
68.99800	0.6
71.01385	4.4
71.62846	0.6
73.02945	1.0
81.03443	0.9
83.01408	1.0
85.02951	3.1
89.02458	0.5
93.03457	8.3
94.03800	0.5
95.01375	1.7
96.96020	1.0
96.99319	0.7
97.02928	0.5
99.00896	0.6
101.02433	2.9
108.02177	32.9
109.02964	21.5
110.03306	0.8
113.02459	1.9
114.19782	0.4
116.05166	0.5
116.92873	0.5
121.02965	1.4
125.15419	0.4
133.03004	0.6
135.04535	1.5
136.01645	0.6
137.02449	17.6
137.57239	0.3
138.02798	0.7
143.03523	0.3
145.05080	0.4
147.04530	6.8
148.04752	0.5
151.03999	1.0
152.01155	48.7
153.01945	22.5
154.02264	0.9
155.39551	0.3
158.06123	0.7
161.02507	0.6
161.04552	1.7
163.04021	1.1
165.01874	0.4
179.03513	1.0
189.05531	0.8
191.03401	0.4
199.68103	0.4
201.05582	0.4
210.58505	0.3
230.06711	0.5
276.08813	3.5
281.06622	6.2
282.06946	0.4
285.04031	3.3
315.07217	6.4
316.07584	0.6
336.10941	1.6
351.41876	0.4
391.10358	0.8
435.09305	100.0
436.09671	12.0
461.07327	1.9
602.42957	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	816.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50151	0.1
61.98833	100.0
62.98555	0.2
66.34610	0.1
68.58560	0.2
68.66676	0.2
69.45901	1.4
74.38626	0.2
78.98723	0.2
105.24938	0.1
116.92921	0.3
117.98368	0.1
161.02478	0.5
325.10254	0.2
424.87201	0.2
471.32904	0.2
765.80963	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	816.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
61.98831	100.0
70.23195	0.5
71.01389	0.2
89.02467	0.2
90.62277	0.1
95.01361	0.2
96.99305	0.1
97.02930	0.2
99.64586	0.2
111.23006	0.2
129.45775	0.1
133.03056	0.2
139.00400	0.2
141.01720	2.9
143.40364	0.1
161.02444	0.3
201.60158	0.1
277.21866	0.3
284.59930	0.2
299.55811	0.1
338.74127	0.1
359.22125	0.2
397.13620	0.7
437.12778	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	817.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.9
61.98837	0.5
62.43133	0.5
65.99850	0.5
68.99813	0.5
71.01405	0.8
72.99310	2.0
91.19425	0.5
98.20583	0.9
99.00882	0.7
101.24708	0.5
103.00397	0.5
106.06627	5.3
109.02913	1.2
113.02491	0.7
119.05015	1.4
122.06116	1.4
123.04550	1.1
130.02988	2.8
133.02957	3.7
134.06119	38.7
135.04530	3.8
135.06441	1.8
137.02412	1.0
145.02911	1.4
152.07164	1.9
156.04654	0.7
160.04001	1.3
161.02437	13.0
162.02798	0.9
162.05606	8.1
163.03998	1.1
174.01959	20.3
175.02356	0.6
179.03496	2.6
186.01955	4.8
187.02679	1.7
187.72394	0.6
188.07101	2.6
194.08365	0.7
197.04594	2.5
200.03525	7.7
205.66420	0.6
206.04568	4.6
206.08360	0.7
218.04523	3.0
219.04994	0.6
225.10255	0.6
232.06203	2.3
237.10110	0.7
249.10382	2.1
263.04663	0.6
265.09778	1.1
266.10522	0.5
267.11185	0.5
277.09854	1.5
281.13016	2.6
291.04187	0.7
293.09311	7.8
294.09915	1.1
306.06500	0.6
309.12384	3.8
310.12787	0.6
321.08786	45.6
322.09082	5.5
325.11829	3.1
339.09811	1.9
340.10406	0.6
353.11404	37.2
354.11746	3.9
357.01532	0.6
359.07721	6.9
360.08130	0.8
371.12549	2.5
381.10913	40.6
382.11304	5.2
413.13522	100.0
414.13815	13.5
432.53143	0.5
566.58655	0.5
575.16272	0.7
623.40161	0.5
649.50989	0.5
777.38324	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	814.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80330	0.2
61.98833	100.0
62.98536	0.2
71.62936	0.3
74.02488	0.3
78.95911	0.2
80.96518	0.3
88.98848	0.2
104.74370	0.2
116.92852	0.2
135.04541	0.4
161.02515	0.3
171.74193	0.2
189.70325	0.2
207.10413	0.2
225.00812	0.2
452.25543	0.2
473.64972	0.2
479.11334	0.2
603.81635	0.2
815.38684	0.3
849.68823	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	814.423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34671	0.1
58.41316	0.1
59.15580	0.1
61.22787	0.1
61.98833	100.0
62.98541	0.1
75.00884	0.5
111.78185	0.2
135.04636	0.2
161.02444	0.3
179.05566	0.1
223.13261	0.2
755.13776	0.2
783.24194	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	814.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.8
61.98834	100.0
62.98547	0.9
64.13096	0.6
64.78494	0.8
69.29888	4.8
69.30322	3.3
71.01390	7.7
72.99322	3.3
73.02953	10.4
75.00893	0.8
83.01396	2.9
85.02963	1.7
98.20590	1.4
101.02444	21.1
109.02956	1.5
113.02461	2.4
121.03008	1.2
123.04536	1.2
125.02464	1.2
131.03542	2.8
133.02927	4.7
135.04506	6.5
151.04088	1.0
161.01129	0.9
161.02441	13.1
161.04593	2.2
162.81584	0.8
163.04031	0.9
179.03558	4.5
197.04669	1.8
203.05600	4.3
238.18622	0.7
243.24670	0.7
311.05624	1.3
313.07077	1.5
318.07999	0.7
340.05597	0.8
359.07776	1.8
409.31656	1.2
421.31366	2.2
441.33810	3.2
457.33368	1.8
473.32797	1.6
485.32709	2.0
486.33231	1.1
503.33786	83.0
504.34024	16.7
545.34875	27.3
546.35187	7.0
577.60077	0.7
605.37354	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	814.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.2
61.98832	100.0
71.01392	8.0
71.05038	0.8
72.99311	9.4
73.02956	11.3
74.02424	0.6
83.01386	4.2
83.17908	0.7
85.02976	0.8
87.00856	0.7
89.02499	0.8
93.03440	0.7
95.61501	0.6
96.96021	0.8
97.02993	0.8
101.02434	12.9
108.02143	1.1
109.02965	2.9
113.02475	2.4
116.92881	1.0
119.05040	0.6
121.03020	1.1
123.04550	2.8
125.01635	0.7
125.02483	1.8
126.90535	1.8
131.03526	1.5
133.02953	8.1
134.03659	0.7
135.04535	10.6
136.04846	1.2
137.02466	2.1
143.03441	1.2
145.02963	0.9
147.04588	0.9
149.02417	1.3
149.06111	0.9
151.04037	2.0
155.03600	1.0
161.02438	26.1
161.04591	2.4
161.05945	0.9
162.02786	1.4
175.04037	1.4
177.01976	1.4
178.02736	1.4
179.03493	7.8
181.05193	0.6
197.04655	4.1
198.04945	0.7
203.03899	0.8
203.05670	2.9
238.08836	0.7
247.09746	0.8
267.06653	0.7
270.21939	0.7
278.05161	0.7
293.10367	2.7
306.07983	0.8
309.04004	0.8
313.07190	0.9
339.05002	1.4
340.05704	1.6
359.07352	4.5
360.08127	1.3
389.28656	1.0
391.30560	0.8
407.29407	3.7
419.30106	0.9
437.12271	0.8
455.13742	2.9
457.33173	1.7
485.32919	1.7
489.14252	1.6
490.14578	2.2
503.33783	76.3
504.34146	15.0
504.40793	1.0
517.35675	2.6
545.34875	17.2
546.35370	4.7
579.32880	0.9
589.34229	2.7
609.17780	3.0
616.15533	0.9
617.17157	0.8
652.17694	1.4
656.27960	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	813.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.2
60.99292	3.2
61.98822	5.2
67.07843	1.5
71.01376	4.1
72.99302	2.1
78.95911	2.6
81.03474	4.2
83.05008	2.2
85.02956	1.9
88.08631	1.7
88.98804	20.6
89.02437	8.3
97.02954	4.8
101.02405	3.4
102.79729	1.9
106.16554	1.7
109.06593	38.2
110.06940	2.7
113.02464	3.0
116.92820	2.6
121.06595	3.1
135.08176	2.7
142.02701	2.4
161.09669	2.1
161.75043	2.0
163.11282	16.1
165.05714	1.7
181.12239	3.5
189.09232	4.9
207.10260	100.0
208.10556	7.0
209.11806	2.5
225.11308	35.8
226.11752	2.5
235.08261	4.8
239.12743	1.9
247.58176	1.7
253.09242	18.4
254.09534	2.3
277.21716	89.5
278.22089	9.8
313.25674	1.7
315.39587	1.7
415.19849	1.8
443.19241	10.4
461.20255	11.3
577.09064	1.9
721.41614	35.9
722.42542	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	814.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.4
59.01381	100.0
68.01416	13.1
71.01383	22.6
71.62968	1.1
72.99306	1.7
73.02954	4.6
75.00858	1.5
81.88641	0.9
83.01397	1.9
85.02949	9.2
89.02458	7.2
95.01405	2.1
97.02963	2.7
99.00884	2.3
101.02443	12.8
109.02946	1.1
109.06605	1.1
110.02476	11.1
113.02449	6.9
119.03525	2.5
119.04992	1.1
120.54600	1.2
123.04527	10.2
125.02441	1.2
127.07687	1.0
131.03801	1.9
135.04524	4.1
137.02490	1.3
143.03552	1.3
144.04578	1.3
147.04530	17.5
148.04866	1.4
149.02454	1.1
158.06126	3.8
159.04500	1.1
161.02501	1.3
161.04590	12.2
183.10329	1.6
186.05717	1.6
188.05734	1.8
189.05577	1.1
191.14384	2.6
203.05608	11.0
209.33037	1.0
230.06686	53.5
231.07091	2.8
235.13333	2.8
253.14468	4.5
267.03033	2.1
276.08749	13.1
277.09177	2.0
285.04010	2.7
336.10840	14.2
337.11179	1.3
433.20663	61.3
434.21069	7.7
434.42084	1.1
440.50494	1.1
611.14734	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	813.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.9
69.53224	1.9
70.01340	0.3
71.01392	2.0
73.02962	0.4
76.31030	0.3
79.04271	0.3
85.02938	0.6
89.02480	0.6
97.02999	0.3
99.00884	0.3
101.02458	0.7
109.02985	0.3
113.02469	0.7
132.05815	0.3
133.06674	0.3
135.04552	0.7
145.02972	0.6
146.03740	82.8
147.04056	4.9
149.16585	0.3
151.07690	0.6
152.08485	0.6
153.09245	2.0
161.06081	50.8
162.06415	3.4
163.04007	0.4
164.04787	5.0
179.07137	100.0
180.07509	6.1
199.90762	0.3
205.12357	0.7
205.67041	0.3
223.13181	0.6
246.81895	0.3
277.44565	0.3
383.13260	0.6
385.18655	1.3
427.12314	0.4
464.34189	0.3
615.63452	0.3
709.42383	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	813.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.8
61.98832	25.3
69.10930	3.2
71.01377	9.6
72.99306	3.1
80.02679	5.2
81.03444	4.9
83.05026	6.0
85.02937	5.5
88.98790	9.9
89.02444	7.3
96.96023	6.5
97.02936	9.7
98.20714	5.9
101.02451	8.6
106.20674	3.2
109.06592	40.2
111.08154	4.3
113.02471	5.0
135.04614	5.0
135.08182	4.9
161.02415	5.2
161.09720	3.1
163.11325	20.8
165.12840	4.7
181.12396	4.9
185.11844	3.0
190.10295	2.8
197.11853	23.0
207.10257	100.0
208.10605	7.1
209.11816	46.4
211.13339	3.5
223.13322	3.2
225.11357	36.0
226.11537	3.6
227.12799	4.7
229.60269	3.6
235.08173	5.9
245.19028	4.7
253.09314	24.5
289.18048	12.9
291.19705	24.9
292.19989	3.6
307.19135	12.3
309.20715	69.0
310.21320	6.7
438.93600	3.6
443.19312	6.5
461.20117	11.2
481.38257	3.1
735.40497	3.6
753.40570	34.9
754.41223	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	812.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.95226	0.6
78.98141	0.3
81.31050	0.3
157.27017	0.3
165.22527	0.3
334.52603	0.3
354.31775	0.3
379.23053	0.3
490.03885	0.3
552.92657	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	813.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
58.00587	0.6
59.01379	55.7
60.01718	0.7
64.76817	0.4
69.03448	1.0
71.01381	13.3
72.99323	0.7
73.02949	15.5
77.30882	0.4
81.03497	0.4
83.01392	4.1
85.02948	3.1
86.31824	0.4
87.00890	0.7
89.02449	5.1
91.05591	0.4
93.03438	0.5
95.01390	1.2
97.02969	0.6
99.00855	0.4
101.02446	17.0
102.02848	0.5
106.06635	0.4
108.02190	1.7
109.02953	65.3
110.03273	2.3
113.02446	8.6
119.03503	2.3
119.05028	1.7
121.02976	1.3
121.06615	0.8
123.04509	1.5
125.02428	0.8
128.40666	0.4
129.03445	3.0
131.03476	1.7
131.05060	0.9
133.02969	1.4
135.04500	3.0
137.02472	1.0
137.09731	3.9
143.03511	2.2
144.97697	0.4
145.02928	0.9
146.03780	2.0
147.04517	22.7
148.04877	1.2
149.04564	3.4
151.04005	0.5
158.03722	3.4
159.04514	100.0
160.04866	6.5
161.02525	1.9
161.04559	8.2
161.05908	0.8
175.04019	0.5
179.03438	1.2
189.12845	0.8
197.04530	0.5
203.05605	1.1
216.99599	0.4
219.02939	0.4
221.06645	2.2
223.07539	0.4
225.05598	0.4
231.03021	0.6
241.05109	0.7
251.07132	0.5
252.07938	1.6
254.06131	0.5
268.07388	0.8
269.08179	38.5
270.08511	3.6
313.07202	1.4
339.71719	0.4
357.06140	8.5
358.06430	0.8
411.20215	1.1
512.87091	0.5
555.32269	0.4
657.82422	0.4
726.20917	0.4
759.46814	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	810.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.54583	0.4
63.67086	0.4
71.62830	0.7
73.09082	0.4
91.42474	0.4
115.26809	0.3
142.93814	0.5
309.49036	0.4
387.30771	0.5
671.04480	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	811.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98471	0.2
61.98839	0.5
69.68977	0.2
71.66035	0.3
73.02961	0.6
99.92587	13.1
100.92603	0.7
105.74541	0.2
114.93438	0.5
116.92863	100.0
117.01952	1.3
117.92876	6.5
132.14134	0.2
149.35600	0.2
277.21686	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	812.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
61.98831	100.0
62.98539	0.3
62.99227	0.2
69.31998	0.1
71.01386	3.1
72.99316	0.6
73.02946	1.3
76.15206	0.2
80.88662	0.1
83.01403	0.6
85.02946	1.6
89.02441	0.4
95.01401	0.2
99.00894	0.5
101.02444	4.9
109.02965	0.2
113.02440	1.4
123.04561	0.2
130.57640	0.1
133.02991	0.4
135.04568	0.5
137.02519	0.2
143.03612	0.2
149.02524	0.2
159.03017	0.4
161.02539	1.0
161.04568	2.3
179.03535	0.3
197.04507	0.2
205.03526	0.2
211.57648	0.1
250.20009	0.2
274.91180	0.2
288.29251	0.1
291.95850	0.2
317.21222	0.2
359.07758	0.2
434.75220	0.2
439.32074	0.2
446.17624	0.2
469.29773	0.2
483.31400	0.3
489.14346	0.4
501.32507	0.4
513.28729	0.2
535.15271	0.2
573.30237	0.2
583.36090	1.4
584.36963	0.2
601.37463	2.8
602.38324	0.5
615.35065	0.9
616.36139	0.2
619.38672	0.3
645.36456	4.1
646.36804	0.8
651.17517	0.3
663.37488	1.8
664.38342	0.6
705.38397	0.9
711.94269	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	809.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	5.6
58.00591	2.4
58.11696	0.9
59.01381	100.0
60.01719	1.2
61.98843	5.5
68.99805	1.0
69.03447	2.0
69.91987	4.3
71.01383	76.3
72.01734	1.1
72.99307	2.3
73.02946	22.0
75.00883	1.5
83.01386	18.4
84.02197	1.0
84.42302	1.0
85.02953	42.4
87.00877	5.8
88.98788	1.0
89.02451	14.9
95.01380	7.6
96.96020	1.2
97.02961	6.3
99.00884	10.6
100.70890	0.9
101.02445	50.4
102.02747	1.5
111.00894	3.7
112.01660	1.9
113.02454	30.8
114.02750	1.0
116.92896	1.0
118.95947	0.8
119.03489	3.8
123.04462	1.1
125.02447	6.6
126.90493	1.0
129.01927	1.6
131.03517	1.0
135.04559	1.4
135.49237	0.9
143.03479	6.0
143.53571	1.0
155.03513	1.0
159.02982	3.5
161.02437	3.1
161.04550	11.9
179.05617	1.3
200.97298	0.8
217.79869	0.8
296.14600	0.9
298.12015	1.0
316.82733	1.0
356.74240	1.1
443.35510	1.4
539.37512	2.7
551.37128	1.3
587.39410	3.1
605.40491	12.6
606.40881	2.6
647.41956	6.3
648.41968	1.9
749.44830	25.3
750.45068	5.2
767.45856	75.9
768.46222	21.5
809.47028	50.3
810.47327	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	809.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
70.36915	68.7
70.37306	40.6
79.13995	23.7
89.80019	24.1
91.58561	25.1
98.19926	30.2
102.01137	23.6
144.70554	22.2
156.41275	23.6
277.21640	41.1
386.36292	21.5
411.43771	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	809.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.2
71.13287	1.0
71.13634	0.4
75.74339	0.4
78.95918	1.2
116.92831	1.1
246.81630	0.5
255.23326	0.6
260.68115	0.4
277.21661	1.2
293.08191	0.4
307.86377	0.5
355.08475	0.4
455.35294	100.0
456.35632	20.1
732.57635	0.5
786.65027	0.5
809.47369	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	809.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	6.0
98.19855	2.2
118.13439	0.6
152.99492	0.6
155.21767	0.6
170.42204	0.6
185.33781	0.5
229.96477	0.7
293.21292	0.7
307.32339	0.5
455.35287	100.0
456.35641	19.3
760.38239	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	807.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.01378	5.9
60.01740	0.6
61.98833	4.2
62.60881	0.7
69.03478	0.8
71.01372	4.6
73.02939	1.0
85.02961	1.1
87.00871	1.2
89.02436	4.6
95.41383	0.5
101.02457	4.5
113.02427	2.7
113.09740	1.6
114.20710	0.5
119.03504	1.2
143.03587	0.7
149.12614	0.6
161.04541	2.2
164.73232	0.6
171.10269	9.5
179.05614	0.9
179.14415	1.5
181.12395	0.8
195.13901	20.2
196.14314	1.3
201.75372	0.5
205.12305	0.6
206.63687	0.6
223.13379	4.3
235.08185	1.7
253.09279	25.9
254.09642	1.1
255.23244	5.2
256.13000	0.8
275.20181	3.7
277.21722	12.8
278.21991	1.2
293.21237	65.0
294.21594	7.4
295.22778	100.0
296.23123	10.8
379.12268	1.6
397.13483	3.3
415.15060	0.6
427.04474	0.6
531.31677	1.6
571.43890	2.6
769.55414	0.6
807.46411	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	808.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.80964	0.2
70.81298	0.1
78.84372	0.1
86.13657	0.1
179.22932	0.1
259.67014	0.1
313.48209	0.1
512.17719	0.1
560.40143	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	809.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
58.00603	1.0
59.01381	100.0
62.78502	0.8
67.61153	0.8
69.03458	1.9
71.01383	38.6
72.99284	0.8
73.02947	53.2
74.03251	1.3
80.60287	1.0
83.01387	15.0
85.02936	4.1
87.00825	0.9
87.75961	0.7
89.02450	10.0
93.03461	1.2
95.01381	1.7
97.02943	1.0
98.20663	1.6
99.00896	1.6
101.02446	53.1
102.02746	1.1
113.02445	18.4
115.32104	0.8
115.90074	0.8
116.43199	0.8
119.03507	9.2
121.02968	1.1
123.04544	1.8
125.02454	2.4
131.03519	5.6
137.02467	2.0
143.03519	6.6
147.02982	1.0
149.02463	1.2
149.04564	16.4
155.03465	2.0
161.04556	32.5
190.05208	1.1
203.05632	5.9
207.44385	0.9
221.06639	19.8
222.06944	1.2
224.04692	1.0
258.82343	0.8
267.06573	2.2
283.09555	1.2
311.05759	1.5
327.10889	28.5
328.11166	3.2
328.50327	0.9
371.08563	0.9
387.16632	5.3
495.47238	0.8
553.01007	0.8
752.59332	1.0
776.45605	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	807.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
58.00603	0.2
59.01381	100.0
60.01708	1.2
69.63280	1.5
71.01381	5.9
72.99328	0.4
73.02950	1.7
75.00893	0.3
83.01389	1.0
85.02946	3.1
85.03439	0.3
87.00871	0.3
89.02453	1.7
93.59235	0.2
95.01415	0.5
98.20605	0.4
99.00890	0.6
101.02442	4.3
101.03071	0.3
113.02458	2.3
119.03514	0.8
125.02413	0.2
126.90530	0.3
135.04509	0.4
137.02429	0.3
137.20378	0.2
143.03551	0.4
161.02498	0.4
161.04539	1.5
167.10822	0.5
195.74365	0.2
269.58630	0.2
347.17114	3.2
348.17645	0.4
355.21371	0.4
373.22275	5.2
374.22852	0.6
380.50229	0.2
415.23328	6.4
416.23947	0.9
644.65063	0.2
725.13147	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	807.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01377	16.4
67.01907	1.0
68.01634	0.6
68.99805	1.6
69.03465	1.5
70.10647	2.0
70.11048	1.3
71.01384	12.8
72.99303	3.3
73.02940	2.4
74.19484	0.6
75.00871	11.9
77.04009	0.6
80.61400	0.6
83.01401	1.3
83.80932	0.6
85.02943	10.8
86.00105	0.9
87.00889	4.3
89.02457	2.4
93.03439	1.4
95.01380	3.4
96.82030	0.5
97.02930	0.6
98.19947	0.9
99.00872	6.8
101.02460	1.4
103.00385	1.1
104.94747	0.7
108.02218	0.7
109.02969	1.8
111.04478	0.7
113.02453	13.2
115.00346	0.8
117.01952	1.9
119.05046	0.6
121.02953	58.3
122.03282	1.6
129.01932	0.9
147.04546	1.4
149.06079	0.7
159.04611	0.6
161.04561	0.9
162.68741	0.6
175.02512	1.3
179.03438	0.6
189.04150	0.7
225.11337	2.6
231.05185	3.0
237.27315	0.6
249.06143	34.7
250.06444	1.5
267.06644	0.8
286.68460	0.7
289.83057	0.6
305.51181	0.7
327.08914	1.2
355.30261	0.7
371.09811	100.0
372.10205	11.3
377.18170	0.8
390.13193	0.8
421.20743	3.2
472.65695	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	807.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01382	100.0
60.01720	1.0
71.01383	4.6
71.63065	0.4
72.99302	0.3
73.02957	2.5
79.68858	0.3
80.36126	0.3
83.01399	0.9
85.02969	3.1
89.02468	0.8
93.03429	0.3
95.01413	0.5
99.00879	0.6
101.02446	4.4
113.02443	2.1
119.03529	0.4
125.02482	0.3
126.90517	0.7
128.90161	1.4
129.01903	0.4
133.02986	0.3
135.04565	1.0
137.02484	0.4
145.02989	0.4
159.03046	0.5
161.02480	1.1
161.04593	1.0
179.03514	0.4
209.97214	0.3
261.13458	2.2
303.14615	0.9
373.22217	3.6
374.22610	0.4
415.23419	3.6
606.52808	0.3
612.44086	0.3
713.85791	0.3
764.49219	0.3
781.55945	0.3
804.98151	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	805.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
58.00592	0.4
59.01381	100.0
60.01712	1.1
69.03438	0.4
71.01384	10.3
71.33720	0.2
71.41813	0.3
71.42152	0.2
72.99323	1.0
73.02950	8.4
74.03280	0.3
75.00900	0.3
83.01393	2.8
83.05024	0.2
85.02954	2.5
87.00877	0.5
89.02448	4.0
95.01417	0.8
97.02982	0.3
99.00909	0.5
101.02444	9.6
102.02751	0.3
113.02454	5.3
119.03501	1.3
125.02476	0.5
129.01944	0.3
131.03554	0.8
133.02956	0.6
135.04593	1.1
137.02469	0.3
143.03523	0.8
149.04596	1.6
155.03510	0.3
161.02472	2.1
161.04550	4.2
179.03519	0.4
179.05676	0.9
197.04648	0.4
203.05661	1.5
221.06784	0.9
269.04654	0.3
278.86154	0.2
359.07794	0.5
371.20737	1.3
413.21753	2.2
414.22281	0.5
468.72284	0.2
526.92255	0.3
616.53125	0.3
670.96338	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	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
58.00585	0.2
59.01375	2.9
61.98828	1.2
69.03448	0.3
71.01379	2.3
73.02950	0.4
83.01369	0.2
83.05038	0.2
85.02950	0.6
85.06549	0.2
87.00871	0.5
89.02444	2.2
89.23177	0.1
95.01405	0.2
95.05034	0.2
97.02957	0.2
98.20618	0.3
101.02447	2.6
104.07472	0.1
111.08148	0.5
113.02444	1.3
113.09701	0.3
119.03523	0.5
120.03846	0.1
125.02442	0.2
127.07582	0.1
128.52824	0.1
141.09209	0.2
142.01691	0.1
143.03496	0.2
155.69641	0.2
161.04555	1.1
167.10782	0.2
171.10228	0.4
173.03613	0.1
175.42273	0.1
177.12825	0.2
179.05556	0.5
179.14398	0.7
181.12234	0.2
195.13889	8.5
196.14404	0.9
201.19754	0.1
205.12314	0.8
205.15997	0.4
211.13391	0.4
223.13379	5.7
224.13892	0.4
225.15015	0.3
228.13655	0.8
231.21162	0.4
235.08257	0.7
249.22180	0.3
253.09274	15.8
254.09644	0.9
256.13150	1.4
265.21722	0.3
275.20139	5.6
276.20355	0.7
293.21216	100.0
294.21536	10.7
362.62717	0.1
492.22168	0.5
529.30328	0.8
530.30963	0.2
569.42029	1.3
570.42383	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	804.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48861	0.2
59.01392	0.4
61.98834	100.0
71.63217	0.4
73.09777	0.3
78.95914	0.5
80.96545	0.2
81.74126	0.2
85.29676	0.2
94.32140	0.2
133.03008	0.4
161.02486	1.3
171.10349	0.7
179.03525	0.3
209.11801	0.4
220.13698	0.2
277.21835	1.1
278.22198	0.3
359.07895	0.4
445.23706	0.4
453.65018	0.3
453.70944	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	805.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
59.69797	0.4
66.47391	0.4
69.38528	0.7
69.38928	2.5
71.01379	1.5
72.99310	14.5
75.00884	0.7
79.00597	0.4
85.02950	3.1
87.00878	1.0
95.01405	1.3
98.20650	0.8
99.00856	1.0
103.00368	0.6
107.01334	0.5
109.03008	0.5
113.02451	6.2
114.02804	0.4
117.01897	0.5
117.03497	1.1
123.04537	6.7
132.02185	1.2
133.02953	20.3
134.03502	0.6
135.04532	15.9
136.04880	0.8
137.39915	0.4
151.00290	0.5
152.32854	0.3
161.02446	100.0
162.02771	6.1
175.02493	3.4
179.03497	12.5
180.03844	0.7
197.04544	19.3
198.04932	1.4
201.05560	0.4
223.02484	0.9
225.05432	0.5
227.03598	0.5
269.04547	28.0
270.04944	2.8
274.60275	0.4
359.07715	41.7
360.07974	5.9
445.07797	7.4
446.08139	0.8
595.24078	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	803.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01379	6.1
61.98826	5.8
69.68304	4.0
71.01385	5.2
73.02941	0.6
78.95913	0.6
83.05016	0.9
85.02960	1.1
87.00854	0.8
89.02445	2.6
94.68108	0.6
95.05021	1.1
97.54401	0.6
101.02451	3.7
107.74660	0.6
111.08156	8.1
113.02451	1.8
117.86089	0.6
137.09747	0.8
149.09781	0.7
161.04575	1.7
167.10809	1.7
177.12862	2.0
179.10713	1.4
179.14464	0.5
193.15974	0.8
195.13907	11.3
196.14363	0.9
211.13422	0.7
217.58844	0.6
223.13400	4.5
235.08194	2.1
247.13486	0.6
247.20627	2.4
253.09308	15.2
254.09741	0.8
256.13171	0.9
273.18472	0.9
275.20142	5.7
277.21622	1.2
289.18066	0.7
291.19659	100.0
292.19992	11.7
293.21231	76.1
294.21521	8.4
527.28479	6.4
528.28937	1.6
529.30280	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	803.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.2
61.98835	5.2
65.20747	1.0
71.01392	4.6
71.62794	1.5
72.99309	2.1
73.02964	1.3
80.05069	3.6
85.02916	1.4
87.61881	1.0
87.93190	1.3
88.98827	1.1
94.86897	1.1
96.96029	4.2
99.92611	1.5
100.39458	1.0
101.02435	1.7
104.05083	2.2
106.06631	4.5
108.02203	3.1
108.08198	41.7
109.02952	4.7
109.08557	1.3
112.99471	1.1
113.02495	1.2
115.92073	1.4
116.92858	3.5
120.04598	1.1
120.08207	1.8
121.02967	1.6
122.06129	8.1
132.04539	8.5
133.02985	5.6
134.06116	10.2
135.04532	8.8
137.02504	2.0
144.04611	1.3
145.02988	1.6
148.04042	1.1
149.02412	1.3
150.06871	2.3
150.09256	1.7
152.01164	3.0
152.07179	11.6
153.01927	1.4
160.04143	1.2
160.06427	4.4
161.02452	15.9
166.08704	1.2
172.07747	1.3
174.05583	2.4
175.04048	1.2
179.03398	5.7
190.05138	3.0
201.13936	1.4
211.07509	1.4
213.10336	16.8
214.10561	2.5
225.10400	2.2
226.11079	1.9
239.11932	13.5
241.13490	7.7
242.60675	1.3
251.11980	3.0
253.13518	2.1
255.06648	2.5
267.06650	3.5
267.11334	6.1
268.11734	1.3
269.12985	4.1
276.09210	1.2
279.11331	1.8
283.05963	1.3
283.10788	1.6
285.12454	33.3
285.15610	1.7
286.12790	2.7
291.11185	1.8
293.13080	3.5
311.05527	3.8
313.13150	1.6
316.14569	3.2
327.21692	1.4
328.10956	1.8
329.06689	2.3
329.11826	1.4
339.05087	1.8
340.10666	1.9
340.14453	13.0
341.11606	1.5
342.12360	1.6
343.13278	2.6
344.13928	2.0
354.12573	2.8
355.13184	1.8
356.13986	6.7
358.15598	8.2
359.16187	1.4
368.10294	2.5
371.16052	1.6
382.11536	1.6
382.15750	2.2
384.13309	5.6
385.13672	1.5
396.13501	4.5
397.14240	4.2
398.15070	3.3
400.16602	3.8
410.14331	1.7
411.15765	1.9
412.16675	5.3
438.14859	2.1
449.20081	1.6
459.09964	1.1
464.22293	1.4
465.22742	2.7
477.22858	4.3
479.24686	8.1
491.10159	2.3
493.26071	1.6
503.24832	1.7
505.22507	8.1
506.23068	2.0
519.23712	6.1
521.25568	12.4
522.25806	2.4
524.23694	1.5
547.23450	26.9
548.24017	8.4
565.24554	100.0
566.24994	21.9
591.22455	28.5
592.22559	6.6
597.27161	32.6
598.26959	6.9
609.23547	10.6
610.23932	2.0
623.24951	4.4
633.23322	1.8
641.26740	5.9
641.42627	4.2
642.27100	1.9
651.24158	2.0
683.26978	4.1
759.34436	3.6
771.28711	44.1
772.29089	13.9
803.31934	12.1
804.32104	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	803.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.0
65.03966	0.5
66.77876	0.2
70.93522	0.4
70.93843	0.3
71.01387	1.3
73.02940	0.9
73.31855	0.2
83.01383	0.3
85.02956	0.5
89.02458	0.4
93.03460	51.3
94.03793	1.7
101.02457	1.1
107.05035	1.1
109.02945	0.4
113.02422	0.4
119.03474	0.2
121.02957	4.0
123.04481	0.4
135.04514	1.1
137.02451	100.0
138.02802	4.0
149.02412	1.2
151.04013	10.3
152.04314	0.2
153.01929	0.5
161.02463	0.3
161.04547	0.4
173.02570	0.2
175.03978	0.2
179.03505	17.2
180.03857	0.6
191.03490	0.4
209.04535	1.0
221.04556	0.4
241.04993	0.3
269.04608	0.4
286.23071	0.2
331.17697	0.3
341.08701	1.9
373.18707	0.6
465.08368	0.4
476.47449	0.3
614.83807	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	803.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67546	0.6
59.01381	6.6
64.96899	0.6
67.26559	0.7
71.01377	2.8
73.02953	0.7
81.03470	1.4
83.01376	0.9
85.02962	3.0
86.71426	0.5
89.02447	0.8
93.03444	0.7
95.01375	1.8
101.02445	1.7
108.02175	43.4
109.02972	31.8
110.03297	1.0
113.02432	1.2
117.05605	0.7
119.03445	0.6
121.02929	0.9
123.00887	1.8
135.04468	0.9
152.01155	49.3
153.01942	20.4
154.02318	0.5
162.71841	0.6
162.81531	0.6
163.03972	1.1
165.02034	1.4
165.96138	0.6
195.74084	0.7
297.06229	0.7
315.07364	4.6
357.08255	5.9
387.16479	5.7
388.16742	0.9
397.11255	2.7
415.12448	100.0
416.12766	12.1
420.25919	0.8
424.75333	0.8
662.34924	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	803.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.3
63.02408	0.4
65.00320	1.0
68.96693	0.4
70.51927	0.4
71.01396	2.1
71.42924	1.1
72.99325	0.5
73.02940	0.6
83.01400	0.7
85.02975	0.5
101.02421	1.4
107.01393	1.4
109.02950	0.8
113.02463	0.7
133.02954	6.2
135.04526	1.1
137.02441	0.6
149.02423	1.7
151.00378	5.3
152.03503	0.8
161.02461	0.8
161.04506	0.9
175.04005	2.9
179.03493	0.6
191.85095	0.5
197.06198	0.4
199.04060	2.4
201.01942	0.8
201.39540	0.4
213.05508	0.9
217.05067	1.7
227.03496	0.6
241.04973	1.1
243.03003	1.0
256.03778	1.2
267.06546	1.0
269.10367	0.7
283.09756	0.7
284.03268	3.9
285.04044	100.0
286.04370	9.2
311.05515	0.7
311.11362	0.5
327.04861	0.6
327.08701	0.8
447.09326	90.9
448.09674	13.0
722.51575	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	802.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.69750	0.2
70.18311	0.3
70.18654	1.0
78.95925	0.4
87.78933	0.2
90.94110	0.2
92.19917	0.2
98.20497	0.4
106.37621	0.2
116.11124	0.3
161.02432	0.3
171.10323	0.3
285.20447	0.3
291.62247	0.2
457.88416	0.3
513.88751	0.2
548.44812	0.2
802.48627	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	803.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
59.01389	4.9
63.02401	1.1
65.00333	0.7
70.01452	1.0
70.01795	2.6
71.01387	4.2
72.51018	0.6
72.99316	5.6
73.02948	0.9
75.00874	1.7
77.03969	1.0
81.03468	0.8
84.02139	0.6
85.02954	9.2
87.00874	1.6
89.02441	0.6
93.03465	2.4
95.01398	2.3
95.05042	4.6
98.19884	0.6
99.00890	2.8
103.00368	1.6
103.73540	0.6
105.03474	7.9
106.03773	0.7
107.01383	1.0
107.05025	1.1
108.02171	1.7
109.02283	1.0
109.02960	10.2
113.02458	17.5
115.00298	0.6
117.03472	2.5
121.02969	3.5
122.03765	1.5
123.04530	54.3
124.04832	2.8
125.02448	1.0
129.01962	1.7
129.03482	0.6
132.02187	0.9
132.14839	0.6
133.02960	49.0
134.03238	4.5
135.04529	38.8
135.05594	1.1
136.04872	1.4
137.02446	1.5
145.02982	0.7
147.04497	1.3
149.02432	3.8
151.00473	1.2
151.04010	27.8
152.04321	1.5
159.04498	2.9
161.02446	100.0
162.02803	6.2
163.04060	1.2
175.02493	10.2
175.03954	1.3
177.01932	19.0
178.02275	3.2
179.03508	29.8
180.03851	2.1
183.04504	0.8
191.03549	1.1
195.02982	21.2
196.03383	1.1
203.03467	0.9
208.96243	0.6
219.02982	0.7
221.00990	0.9
225.05522	0.7
231.02922	1.1
241.05060	0.9
267.06558	1.1
268.07196	0.9
269.04550	68.2
269.07797	2.9
270.04922	8.3
285.07660	6.5
313.07123	9.1
313.10312	0.8
314.07645	1.4
357.06165	21.1
358.06500	2.6
445.07678	15.5
446.07904	2.9
465.08243	1.3
481.85077	0.7
725.27118	0.8
776.34216	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	801.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86269	0.9
57.03447	1.9
59.01379	100.0
60.01722	1.5
61.98833	9.2
69.03427	1.5
70.40006	3.1
71.01383	30.8
72.99319	3.9
73.02949	7.2
78.95918	3.7
83.01396	4.0
85.02946	13.4
87.00880	2.9
89.02448	10.9
93.03426	0.9
94.65321	0.9
95.01379	3.4
97.02992	1.7
99.00874	3.1
101.02447	14.6
108.51751	0.9
109.02942	1.6
111.00910	1.1
113.02461	20.5
114.75774	0.9
119.03508	3.2
119.04984	1.3
124.01669	3.7
125.02473	4.6
132.23923	0.9
133.02945	2.6
135.04517	4.5
137.02429	1.1
140.62146	0.9
143.03545	4.8
159.03001	1.1
161.02455	8.6
161.04532	5.5
179.03575	2.4
179.05641	1.4
190.67921	0.8
204.30986	0.9
226.29137	1.0
311.05832	1.1
373.08374	1.0
449.29074	1.8
467.30096	1.7
557.31641	1.3
593.33368	11.9
594.33282	2.7
611.34375	48.9
612.34625	12.4
629.35437	17.2
630.35938	3.3
653.35388	5.8
671.36322	10.9
672.36792	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	800.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93545	0.2
61.98829	100.0
71.62995	0.3
78.95936	0.4
79.70174	0.2
87.04657	0.2
91.19757	0.2
100.93163	0.2
108.25929	0.2
135.04553	0.3
156.91089	0.2
161.02515	0.3
209.11816	0.4
249.18535	0.2
261.78137	0.2
272.36575	0.2
293.21429	0.2
337.33124	0.2
478.83786	0.2
800.48035	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	801.356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.5
58.00592	1.0
59.01380	100.0
60.01715	1.1
61.98828	7.7
65.88832	0.7
69.03468	1.4
71.01381	32.5
71.62905	1.2
72.99313	3.8
73.02949	7.0
78.95915	2.3
83.01396	4.5
85.02955	12.5
87.00845	2.9
89.02451	10.6
95.01383	3.7
96.96015	1.5
97.02936	1.5
99.00893	2.0
101.02444	15.0
109.02972	1.3
111.00871	1.0
113.02449	19.6
116.92848	1.6
119.03437	3.9
124.01676	3.1
125.02472	5.5
133.02928	2.2
135.04544	3.8
143.03477	3.5
161.02446	8.3
161.04518	5.7
162.02702	0.9
179.03456	2.0
179.05669	1.2
197.04691	0.9
418.36374	0.8
449.29178	2.0
467.30508	2.6
474.90857	0.7
557.31165	1.2
575.32013	1.5
593.33215	11.6
594.33624	2.6
611.34351	47.3
612.34650	10.5
629.35376	18.3
630.35828	4.3
653.35242	5.2
654.35394	1.9
671.36450	11.6
672.36859	3.2
706.01581	1.0
713.37109	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	800.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.3
59.01380	100.0
60.01706	1.5
64.17033	1.2
65.77321	1.2
68.01421	13.9
69.03470	1.2
69.92033	6.2
71.01390	19.8
73.02966	5.9
82.02982	1.4
83.01393	3.2
85.02919	8.1
89.02436	1.3
93.03454	26.2
97.02941	1.8
99.00900	2.5
101.02445	9.4
110.02483	10.8
113.02470	6.2
119.05025	2.6
121.02993	1.2
125.02464	1.4
131.03754	2.3
135.04507	3.8
137.02446	37.6
138.02750	1.6
141.62105	1.1
145.05064	1.5
147.04529	21.0
158.06128	3.2
161.04575	12.3
161.05905	2.0
167.03552	1.7
188.05750	2.8
189.05536	2.3
203.05574	15.9
230.06688	54.3
231.06989	3.7
261.17172	1.2
276.08759	15.3
277.09000	1.6
281.06628	11.1
294.09750	2.3
336.11008	9.8
419.09775	33.4
420.10233	4.4
425.60492	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	799.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	24.1
61.75184	0.3
69.51263	1.8
71.01383	4.2
72.99305	2.4
73.02966	1.5
85.02955	1.3
89.02466	1.5
93.03454	0.4
95.01409	0.3
98.19801	0.5
101.02452	2.7
107.05016	0.3
113.02448	4.7
119.03506	0.8
119.05019	4.4
131.03499	0.4
132.02158	0.7
133.02960	20.9
134.03458	0.6
135.04526	10.4
136.04849	0.4
137.02464	0.3
137.09709	0.3
143.03519	0.5
149.04553	1.0
161.02444	100.0
161.04602	2.5
162.02788	5.2
163.04007	11.0
164.04361	0.8
179.03421	1.8
181.05066	27.8
182.05409	1.2
201.51123	0.3
205.74591	0.3
221.06703	0.8
243.02353	0.3
258.66467	0.3
299.09430	0.4
343.08231	22.1
344.08627	2.7
345.70575	0.3
367.76999	0.3
411.20242	1.0
511.87918	0.4
657.10913	0.4
772.65930	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	798.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98533	0.2
71.66582	0.2
75.46019	0.1
77.14520	0.1
78.95935	0.1
86.52497	0.1
103.78712	0.1
119.07575	0.1
124.73022	0.1
179.18159	0.1
187.86604	0.1
208.50571	0.1
223.13530	0.2
224.13733	0.1
254.36087	0.1
259.02448	0.1
277.21945	0.2
293.21283	0.2
294.21735	0.2
319.04221	0.1
572.64478	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	799.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11623	0.9
58.87760	1.0
59.01385	54.5
61.98838	1.2
69.61791	7.8
71.01386	17.5
72.99324	2.0
73.02950	4.4
83.01399	2.3
85.02947	5.0
87.00840	1.1
89.02454	11.2
93.03460	2.0
93.68791	0.9
94.87251	0.9
101.02459	12.1
113.02451	10.3
117.03439	3.5
119.03528	3.4
119.05032	57.6
120.05383	2.8
121.02976	1.4
125.02420	1.7
131.05022	1.3
133.06583	5.2
135.04544	1.3
143.03488	6.1
145.02959	13.9
146.03720	1.1
158.11449	1.0
159.04448	1.4
161.04663	1.5
161.06067	11.1
163.04016	68.6
163.11316	4.1
164.04347	3.6
177.05560	3.1
181.04927	1.0
187.04033	6.4
191.07135	1.3
203.05495	1.2
205.05016	14.7
206.05362	1.3
207.10237	6.9
221.06642	2.7
235.06175	1.5
244.08665	1.0
265.07220	2.4
307.08206	3.1
367.10538	1.6
377.19986	0.9
387.16599	100.0
388.16922	13.2
389.17017	2.5
401.12558	0.9
457.75806	1.0
597.71411	1.1
671.26416	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	798.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.6
59.01380	17.9
59.01678	1.2
61.98831	100.0
71.01389	8.2
72.99310	2.2
73.02946	14.3
74.50296	0.5
83.01372	4.2
96.30552	0.5
98.19899	1.2
101.02441	18.8
102.02760	0.8
102.50954	0.5
113.02453	3.2
116.36105	0.6
125.02457	2.3
131.03531	1.4
133.02974	1.8
135.04546	1.8
143.03511	1.6
149.02443	0.8
150.03114	0.5
155.03503	1.6
161.02429	4.4
161.04550	3.3
179.03487	1.0
187.07605	0.8
203.05594	4.7
267.06772	0.7
293.10291	1.2
302.91437	0.5
311.05618	0.6
387.01236	0.6
435.32632	3.0
455.13495	1.4
487.15799	1.5
487.34277	87.0
488.34674	17.9
501.35669	3.4
529.35339	15.0
530.35681	3.2
552.76465	0.6
559.36096	1.5
560.37042	0.6
573.34271	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	798.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20118	0.4
58.00605	0.5
59.01379	20.6
61.98831	100.0
69.03451	0.5
71.01384	10.1
71.62894	0.5
72.99331	0.6
73.02945	9.6
75.00867	0.8
81.03484	0.4
83.01382	3.4
85.02959	1.0
86.33112	0.3
86.54917	0.3
88.98726	0.4
89.02426	0.4
96.96037	0.7
97.02957	0.8
101.02446	21.7
102.02798	0.6
109.02969	0.5
113.02429	2.8
119.03476	0.4
125.02432	1.9
131.03511	2.4
133.02971	1.3
135.04532	1.6
143.03502	1.6
145.02887	0.4
149.02478	1.0
155.03519	1.6
161.02477	3.3
161.04552	2.4
179.03510	0.6
203.05598	5.6
221.32521	0.4
245.08260	0.4
304.13794	0.3
311.05469	0.4
341.78986	0.4
393.24271	0.4
421.31079	0.6
435.32889	0.6
469.32397	0.4
481.32877	0.4
487.34271	90.9
488.34616	19.2
501.35788	2.5
502.36133	0.8
509.32629	1.0
510.33585	0.4
529.35315	16.1
530.35815	4.4
559.36401	1.4
589.37067	0.9
631.38428	0.8
667.60065	0.4
691.40967	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	798.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.8
59.01381	11.6
59.35933	0.3
60.01734	0.3
61.98832	100.0
65.82807	0.3
66.92376	0.3
69.03466	0.6
69.51228	2.6
71.01383	6.6
72.99326	0.9
73.02532	0.5
73.02950	10.5
81.32513	0.3
83.01389	3.3
85.02955	0.4
97.02934	0.5
101.02444	10.9
111.08018	0.3
113.02464	1.1
119.05038	0.3
125.02438	0.9
126.90523	0.9
131.03513	0.9
133.02922	0.9
133.03848	0.3
135.04514	1.0
143.03470	0.4
146.77092	0.3
146.78249	0.3
155.03529	0.6
160.52774	0.3
161.02454	3.6
161.04446	1.5
179.03508	0.8
203.05629	2.5
258.19623	0.3
377.28671	0.4
393.32013	0.5
405.31543	0.3
423.32730	1.7
424.32773	0.5
425.34314	0.7
426.34683	0.3
427.32407	1.9
439.32516	0.7
441.33478	1.0
467.31815	0.8
469.33261	5.9
470.33438	1.2
483.34787	0.8
487.34283	78.0
488.34610	15.9
488.40356	0.2
501.35809	2.4
502.36057	0.7
513.31921	0.9
527.34570	0.3
529.35327	6.2
530.35925	1.5
571.36230	0.5
691.40863	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	798.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.0
59.01380	10.1
61.98831	100.0
62.98541	0.3
63.64263	0.3
69.03448	0.5
69.38286	2.1
69.38693	0.6
71.01382	6.3
71.05038	0.5
72.99303	1.1
73.02947	11.9
74.41479	0.3
83.01392	2.8
85.02961	0.7
86.72811	0.3
93.17469	0.3
96.96015	0.7
97.02966	0.4
101.02446	10.4
113.02443	1.2
119.05029	0.4
125.01485	0.3
125.02455	0.8
131.03503	0.7
133.03003	0.4
135.04524	0.8
143.03491	0.8
155.03542	0.8
161.02446	1.1
161.04591	0.9
179.03505	0.6
203.05632	2.1
395.12418	0.4
421.30798	0.4
427.32147	5.5
428.32516	1.2
437.30655	0.4
443.35376	0.4
467.31683	1.1
469.33301	6.6
470.33856	1.8
483.35501	0.4
487.34268	92.3
488.34634	19.4
501.35788	2.6
502.35791	0.5
529.35162	4.0
530.35748	1.0
559.36499	0.5
570.71985	0.3
571.36230	0.3
593.17517	1.4
610.22620	0.3
691.40973	0.7
804.96301	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	798.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	0.5
59.01381	14.3
61.98832	100.0
63.27967	0.5
69.36771	2.4
69.37191	1.5
71.01385	6.0
72.90765	0.4
73.02944	10.8
73.07289	0.5
83.01379	4.0
85.02969	0.5
97.02972	0.7
101.02444	11.0
101.03075	0.7
113.02481	1.2
122.70122	0.4
125.02448	1.2
126.27113	0.4
131.03490	0.6
133.02971	3.3
143.03548	0.9
151.04021	0.8
155.03502	0.7
161.02449	12.3
161.04623	1.2
162.02759	0.7
201.66508	0.4
203.05646	2.4
283.62558	0.4
313.07114	2.6
314.07495	0.5
393.82166	0.4
407.33252	2.0
423.32660	0.6
425.34335	5.2
426.34543	0.9
441.33481	2.4
442.34198	0.7
443.35226	0.6
457.33701	0.8
469.33258	6.0
470.33453	1.0
483.34888	0.8
487.34296	56.3
488.34680	11.7
501.35706	4.0
502.36093	1.0
513.32257	1.2
514.32843	0.5
529.35327	8.4
530.35406	1.7
589.37317	0.5
683.06390	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	797.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56471	1.7
59.01381	11.5
61.98834	8.2
70.04858	7.9
71.01385	3.3
71.05013	3.5
73.02946	2.0
88.98772	2.0
95.01328	1.8
99.00877	2.5
99.08161	2.7
109.02917	1.7
109.06586	1.8
115.04015	19.3
120.82443	1.6
133.02956	2.2
135.04504	3.5
147.04512	8.1
149.02505	1.9
151.03969	3.0
151.07626	5.2
152.08408	3.6
156.23474	1.8
161.02480	8.2
173.08203	24.8
174.08516	3.1
177.16441	2.1
179.03452	3.1
209.15395	8.2
210.15762	1.8
226.41306	1.8
246.33809	1.5
247.16907	1.7
275.20187	3.0
293.21106	10.3
301.21689	16.7
309.17038	13.1
309.20596	5.3
310.17307	4.4
310.20697	2.2
311.22269	100.0
312.22653	9.4
469.33423	2.3
485.32681	17.8
486.33115	5.7
487.34064	13.7
488.34061	2.6
771.35999	2.0
776.17474	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	797.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.7
61.98830	9.6
69.03471	1.4
71.58309	2.1
71.58650	1.8
86.47056	1.4
88.98764	2.0
119.08649	6.3
125.09725	3.5
135.04491	1.5
137.09717	7.3
139.15315	1.6
141.73329	1.5
144.08580	1.5
151.07631	2.5
161.02385	2.6
167.10631	1.7
169.52922	1.5
171.10269	30.6
177.02878	1.4
183.10190	2.2
185.11882	7.9
201.11249	2.4
209.15498	1.7
216.68144	1.5
225.44315	1.4
243.83406	1.5
273.18616	4.8
291.19711	9.6
309.17468	3.4
309.20685	100.0
310.21100	10.2
423.32452	1.7
469.33206	2.3
487.34256	24.2
488.34616	2.8
711.75684	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	798.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.6
59.01380	17.9
59.01678	1.2
61.98831	100.0
71.01389	8.2
72.99310	2.2
73.02946	14.3
74.50296	0.5
83.01372	4.2
96.30552	0.5
98.19899	1.2
101.02441	18.8
102.02760	0.8
102.50954	0.5
113.02453	3.2
116.36105	0.6
125.02457	2.3
131.03531	1.4
133.02974	1.8
135.04546	1.8
143.03511	1.6
149.02443	0.8
150.03114	0.5
155.03503	1.6
161.02429	4.4
161.04550	3.3
179.03487	1.0
187.07605	0.8
203.05594	4.7
267.06772	0.7
293.10291	1.2
302.91437	0.5
311.05618	0.6
387.01236	0.6
435.32632	3.0
455.13495	1.4
487.15799	1.5
487.34277	87.0
488.34674	17.9
501.35669	3.4
529.35339	15.0
530.35681	3.2
552.76465	0.6
559.36096	1.5
560.37042	0.6
573.34271	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	797.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	52.8
70.71404	9.8
71.35442	22.6
79.95734	17.5
80.96500	96.5
94.98094	20.4
110.49052	10.1
117.82082	10.7
122.38424	10.1
156.09993	10.1
164.98662	11.0
225.00728	26.3
249.18738	13.7
281.71326	11.6
531.99438	10.4
797.43848	100.0
798.44226	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89792	0.4
57.03440	0.9
59.01367	1.8
59.34754	0.4
61.98823	1.9
69.51551	2.6
69.51964	1.1
71.01421	0.5
72.99315	0.9
75.88554	0.4
78.95937	0.5
84.65874	0.4
94.70785	0.5
96.95980	0.8
97.06602	0.7
98.19876	0.7
100.11465	0.5
106.84634	0.5
113.09720	3.3
113.59982	0.4
115.39212	0.5
121.10211	1.0
125.09740	0.8
127.11282	1.1
135.04472	0.6
137.09706	0.6
139.11302	15.3
140.11716	0.5
153.09206	1.1
155.10805	0.9
160.87895	0.5
161.02429	1.1
167.10762	1.0
171.10277	19.4
172.10596	0.8
172.79498	0.5
179.03473	0.5
179.10835	0.5
183.13969	0.5
185.11772	1.1
201.11290	0.5
211.13412	2.1
249.18629	1.8
249.22232	1.3
265.21808	0.7
275.20126	1.2
293.17941	0.8
293.21240	16.8
294.21481	1.1
311.22284	100.0
312.22650	10.2
485.32709	1.7
490.80014	0.5
679.58752	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	796.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.6
59.01382	67.1
61.98834	100.0
69.34682	12.2
71.01385	32.4
72.99308	4.9
73.02951	34.0
75.00877	3.5
76.18152	1.3
81.03394	1.7
83.01392	12.6
84.13969	1.2
85.02962	5.1
87.00883	1.5
89.02468	1.7
96.96008	2.4
97.02940	2.7
99.00896	2.0
101.02444	65.2
102.02787	2.0
109.02943	3.0
113.02468	7.9
117.03466	1.9
125.02404	3.5
125.31976	1.4
131.03535	5.9
133.02953	4.6
135.04547	8.4
137.02460	2.0
143.03488	5.6
145.02965	2.7
149.02498	2.0
155.03471	3.1
159.04523	2.1
161.02463	16.9
161.04527	8.3
162.02922	1.9
179.03459	3.2
203.03992	1.5
203.05600	10.0
225.37033	1.5
242.60016	1.5
267.06744	2.7
280.30566	2.1
311.05457	2.6
357.25607	2.1
369.78387	1.8
373.24646	1.7
373.28928	5.4
389.28412	4.7
390.34549	1.4
391.26099	2.8
407.29471	20.0
408.29959	3.5
409.31076	4.4
415.19409	2.0
439.32184	23.6
440.16425	1.8
440.32336	3.7
441.33685	8.3
455.31433	3.2
473.32660	92.0
474.33051	15.9
483.30652	2.0
485.32645	5.7
499.34448	14.5
500.34726	3.0
527.33801	32.2
528.34229	7.2
530.32147	1.7
557.34735	3.4
569.34808	2.1
571.32465	2.0
587.35547	2.5
634.38916	3.0
651.25830	2.1
693.93231	2.0
752.40918	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	795.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.3
61.98823	15.1
66.72177	3.4
69.84452	15.7
74.81901	4.7
80.62897	3.4
83.05025	4.5
84.27731	3.3
88.98775	8.3
96.71468	3.5
96.96012	4.0
98.19862	4.9
103.16419	3.3
104.38062	3.2
119.08667	3.8
135.04512	6.8
137.09717	8.9
151.03973	9.7
151.07646	22.3
152.08405	14.5
161.02419	13.9
171.10281	15.7
200.79749	3.2
209.15465	37.1
221.24170	3.8
252.10040	8.2
265.18085	10.8
267.06683	4.2
291.19559	18.0
309.17035	82.1
309.20700	65.7
310.17453	8.0
310.20810	7.4
427.16394	3.2
467.31586	7.7
473.32654	11.2
485.32742	100.0
486.33136	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	796.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	37.0
60.01715	0.5
67.01901	0.5
68.01418	4.2
69.03458	14.0
69.91393	2.3
70.19586	0.4
71.01391	4.9
73.02957	2.1
75.27192	0.4
79.01885	4.7
81.03448	1.0
82.03004	0.4
83.01398	1.0
85.02938	2.5
89.02483	0.7
95.01385	2.6
97.02958	9.8
97.03552	0.7
99.00898	1.1
101.02443	3.2
107.01397	15.0
110.02485	3.8
113.02455	2.5
118.85751	0.4
123.00903	3.2
125.02451	15.6
126.02821	0.8
131.03711	0.5
135.00902	63.0
135.04535	1.7
136.01274	1.8
144.04562	0.5
147.04539	6.4
151.00414	1.6
152.01131	1.0
158.06137	1.3
161.04558	4.7
166.02744	4.1
167.03505	100.0
168.03835	5.0
186.05557	0.4
188.05663	0.6
189.05640	0.8
203.05576	5.3
209.04573	0.9
230.06696	16.1
231.07027	0.8
246.41920	0.5
276.08804	4.1
294.09717	1.0
311.07611	1.0
336.10901	2.8
371.09714	3.2
653.37256	0.5
667.84290	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	795.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
59.01380	14.2
61.98827	3.4
66.44624	0.9
69.03447	2.2
71.01389	7.9
71.05029	1.3
73.02949	1.3
75.39198	0.9
83.01366	1.5
83.05049	1.4
85.02956	3.7
87.08281	0.9
89.02443	5.7
95.05019	1.8
97.06595	2.3
98.19912	2.9
101.02446	5.7
113.02447	4.4
115.27882	0.9
116.92773	1.2
119.03520	2.0
123.08107	1.1
161.04518	3.4
162.54831	1.0
167.10811	4.8
171.10277	9.8
179.05595	2.1
179.10757	1.5
179.14421	4.4
181.14888	1.0
183.13872	3.6
195.13902	16.3
196.14368	1.8
201.11232	1.5
205.12343	10.6
206.12737	1.2
211.13359	7.1
223.13390	100.0
224.13712	8.2
225.11438	1.2
229.14386	3.6
229.18170	1.1
235.08345	7.0
239.13002	1.1
249.18575	22.7
250.18965	1.9
251.16614	1.5
253.09285	29.7
254.09618	1.8
256.13123	1.1
275.20209	4.2
277.21719	2.0
291.19742	3.5
293.21240	89.2
294.21588	9.3
309.20709	7.6
327.21756	35.6
328.22086	4.8
387.70529	1.1
459.22409	16.1
460.23019	1.3
499.34122	1.4
529.29968	3.0
563.30566	2.2
735.43256	4.1
736.44525	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	795.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
58.12757	0.6
59.01388	4.0
61.98829	6.3
62.78303	0.7
63.35927	0.6
69.03451	0.9
70.17222	1.9
71.05009	1.8
77.59100	0.7
83.05032	4.0
84.70235	0.8
85.06603	1.4
88.98801	0.9
95.05012	0.7
97.02959	2.7
97.06619	1.2
109.06583	1.1
111.04520	1.0
114.99149	0.8
119.08678	0.8
120.21042	0.8
122.15002	0.8
135.04520	1.2
137.09708	1.5
161.02405	1.1
165.12831	0.9
171.10251	2.9
177.12698	0.7
179.14409	1.3
193.12421	0.8
195.13936	6.3
221.15463	4.8
223.13310	3.5
225.73988	0.8
233.15424	1.2
239.16525	1.1
247.20721	1.4
273.18613	1.1
274.43799	0.7
289.28250	0.8
291.19666	19.1
292.20062	2.4
297.11139	0.7
303.77008	0.8
309.20703	100.0
310.21024	11.1
357.27713	0.7
405.01300	0.7
405.31824	1.0
413.30518	0.8
455.31891	0.9
465.30246	1.1
467.31625	7.6
468.32202	1.1
485.32709	61.2
486.33047	14.0
511.30203	1.0
642.17627	0.7
677.23065	1.1
731.46222	0.8
769.95618	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	793.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98835	0.9
69.68857	0.7
71.01379	0.1
73.02953	5.8
74.83884	0.1
75.00902	0.6
99.00891	1.2
99.92590	12.3
100.92590	0.8
103.15457	0.1
114.93432	0.4
116.03537	0.2
116.92867	100.0
116.97189	0.9
117.01946	9.3
117.05576	0.2
117.92876	6.7
118.02245	0.3
133.03027	0.2
135.04555	0.1
161.02437	0.4
277.21713	0.4
293.21121	0.2
397.13684	0.3
697.75214	0.1
699.13397	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	793.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.31536	0.7
91.95291	0.2
106.72572	0.2
154.67050	0.2
311.17578	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	793.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
65.49991	0.2
70.39221	0.2
70.39594	0.3
70.96394	0.1
74.15105	0.1
80.80387	0.1
80.81061	0.1
125.64790	0.1
127.77567	0.1
129.79893	0.1
134.79185	0.1
135.08757	0.1
135.81139	0.1
137.55118	0.1
150.98596	0.1
152.59454	0.1
159.51099	0.2
183.80000	0.1
232.52100	0.1
237.33589	0.1
266.55017	0.1
784.67230	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	795.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.5
60.99308	17.5
61.98820	1.9
71.01400	1.1
71.65891	0.8
88.98808	100.0
89.99118	1.4
90.61571	0.6
101.02406	1.3
126.90479	1.1
128.64948	0.6
135.04510	0.9
137.09773	0.9
141.00243	0.6
154.47752	0.6
161.02425	1.7
171.10251	5.0
185.11778	0.8
197.11685	0.8
291.19720	1.4
309.17313	0.7
309.20697	10.3
310.21063	0.7
311.05350	0.7
485.32690	0.8
601.37512	1.1
619.38208	1.2
661.39948	1.8
709.28192	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	793.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14810	0.1
59.01368	0.2
61.98832	8.2
71.01028	0.1
71.01398	0.3
71.62910	0.1
72.99308	0.2
73.02950	3.7
75.00895	0.2
76.82590	0.1
80.96519	0.2
99.00871	0.6
99.92587	11.6
100.92596	0.5
114.93414	0.5
116.41380	0.1
116.92863	100.0
117.01083	0.1
117.01938	5.3
117.92870	6.2
118.02244	0.1
125.12469	0.1
129.21487	0.1
133.02971	0.3
135.04538	0.3
161.02452	0.6
162.02750	0.2
179.03508	0.2
225.00760	0.1
241.39192	0.1
293.21155	0.1
302.35681	0.1
390.33118	0.1
397.13397	0.2
487.34106	0.2
787.93109	0.1
793.51337	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	793.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
64.12372	0.5
71.01379	0.9
71.64152	0.6
73.02955	0.6
83.01386	2.5
93.70347	0.6
100.77347	0.5
108.02237	0.5
109.02953	3.6
133.02960	1.3
145.02916	0.7
147.04494	1.1
155.05051	1.1
158.03665	0.6
163.04047	0.6
171.04510	1.9
173.02441	0.8
174.03198	2.2
175.03978	0.9
183.04538	1.1
193.06616	0.9
195.04532	0.7
196.05324	0.6
197.06100	2.0
198.03186	1.3
199.03960	4.4
199.07635	0.9
200.04680	0.5
202.02809	0.5
209.06029	3.2
210.03160	1.0
210.06721	1.0
211.03996	8.0
211.07588	2.0
212.04645	1.0
219.04541	0.6
221.06099	1.1
222.06532	0.7
223.03931	1.3
224.04782	2.8
225.05545	2.1
225.11430	0.7
226.02756	1.0
226.06383	1.1
227.03496	52.5
227.07153	3.1
228.04234	24.2
229.04654	2.1
236.60179	0.6
237.05582	3.5
238.06314	4.8
239.03406	1.4
239.07182	3.7
240.04321	8.0
241.04987	5.5
248.04720	1.1
249.05540	3.4
250.06163	0.8
252.04236	0.8
253.05069	0.7
254.05774	2.2
255.06621	7.3
256.07031	0.6
265.04950	3.2
266.05850	1.1
267.06638	8.1
269.08221	0.8
282.05377	1.1
283.06137	8.0
284.06424	0.6
293.04504	1.6
311.05609	100.0
312.05939	12.1
355.04568	38.9
356.04871	4.0
357.06155	0.7
387.16663	2.7
459.27164	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	793.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
59.01385	5.0
60.10301	0.6
62.10324	0.6
67.70778	0.6
68.12834	0.5
69.04935	0.6
71.01375	2.1
79.33495	0.6
83.01409	1.7
84.78960	0.6
85.02951	0.8
87.00816	0.6
92.50049	0.6
109.02979	3.9
113.02477	1.3
133.02939	1.1
143.04984	0.6
144.39267	0.6
145.02931	1.7
147.04442	0.7
155.05042	0.7
163.03970	0.9
164.58154	0.6
171.04549	1.7
173.02441	1.7
174.03203	2.4
179.03453	1.5
181.06555	1.0
183.04488	1.0
183.08144	1.0
196.05338	1.7
197.06038	2.0
198.03337	1.0
199.03987	5.4
199.07603	0.7
203.03291	0.8
209.06137	3.1
210.03156	1.0
211.03989	7.1
211.07677	1.9
212.04622	1.2
221.06114	1.2
223.04102	1.4
224.04706	2.7
225.05525	2.3
225.11299	1.1
226.02657	1.0
226.06219	0.7
227.03511	45.5
227.07132	2.7
228.04225	21.0
228.07632	0.7
229.04593	1.7
229.63303	0.7
229.65288	0.7
237.05635	3.3
238.06310	3.2
239.03410	1.4
239.07158	4.3
240.04279	6.8
241.05022	6.1
248.04674	1.1
249.05568	3.2
250.06239	1.5
253.05058	0.9
254.05913	2.1
255.06662	5.5
257.48087	0.7
265.05090	2.3
266.05731	0.9
267.06607	8.3
268.06973	1.1
282.05298	1.0
283.06091	8.4
293.04501	1.1
311.05621	100.0
312.05988	11.6
355.04584	35.7
356.04974	3.5
387.16580	3.2
465.75626	0.7
627.09210	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	793.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61083	0.3
55.98952	0.3
58.53747	0.3
59.01379	5.3
62.72176	0.3
69.29485	2.8
71.01386	0.9
71.71897	0.4
73.02944	1.1
83.01412	0.5
95.64142	0.3
101.02471	0.6
105.60252	0.3
106.04245	0.4
109.02908	0.4
123.04529	0.9
131.05035	0.9
132.05811	2.8
133.06596	100.0
134.06935	5.7
135.04553	1.0
147.04439	0.4
148.05305	33.7
149.05612	1.8
150.03207	1.2
161.02444	0.8
163.07654	29.9
164.07974	2.0
165.05554	0.9
179.03574	0.3
195.06625	0.8
203.05640	1.0
337.12979	1.6
343.73880	0.4
357.13358	0.6
446.75262	0.3
469.21924	0.4
555.46759	0.4
681.28168	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	793.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03460	1.4
59.01384	32.7
63.02387	1.6
65.00337	0.6
67.01905	0.2
68.99825	0.4
71.01385	7.2
71.64315	0.3
72.98978	0.3
72.99313	1.3
73.02953	0.9
75.00877	3.2
83.01408	0.8
85.02956	13.9
86.03291	0.5
87.00884	2.3
89.02446	2.4
93.03478	0.4
95.01400	4.3
95.05053	0.2
99.00888	4.5
101.02460	1.3
103.00377	2.3
105.03506	0.4
107.01370	1.8
109.03002	0.3
111.00884	0.4
111.97333	0.2
113.02456	29.7
114.02801	0.8
115.00368	1.1
117.01981	1.5
117.03468	3.0
119.03481	0.2
121.02947	0.4
123.04510	0.5
129.01936	0.7
131.03633	0.2
133.02963	1.6
133.72922	0.3
134.03340	0.4
135.04529	1.7
137.02423	0.3
139.45966	0.2
143.03494	0.3
149.02423	1.7
149.04628	0.4
151.00438	1.6
151.03973	0.3
157.01431	0.5
159.04501	1.5
161.02446	1.9
161.04579	0.6
162.02742	0.3
169.06592	0.5
175.02481	14.4
176.02817	0.5
177.01923	0.9
178.02307	0.3
179.03496	0.9
180.05885	0.3
181.06616	0.4
183.04581	0.7
196.05220	0.3
197.04456	0.4
197.06071	0.7
199.03955	0.2
201.05597	0.6
224.04750	0.3
225.05594	1.7
227.03526	0.5
242.64244	0.3
268.03796	0.4
269.04550	100.0
270.04886	10.8
303.14487	1.0
445.07767	19.6
446.08075	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	791.435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05343	12.9
60.93065	12.8
61.98829	100.0
70.40404	46.1
70.84731	12.3
98.42248	11.6
138.41296	12.4
174.43907	12.8
209.11809	98.4
227.12843	14.9
253.09271	15.5
277.21695	79.7
278.21851	16.0
375.59387	12.8
403.51556	16.5
469.33292	20.9
574.79346	12.1
643.41095	13.3
791.44012	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	791.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32679	0.3
61.98831	100.0
65.09731	0.3
70.27795	1.1
71.99004	0.4
75.16533	0.4
78.95908	1.8
115.92104	0.6
152.99594	0.9
162.14725	0.4
196.89435	0.6
209.85419	0.4
255.20836	0.4
255.23328	0.9
777.41339	0.5
791.30969	0.5
792.48456	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	792.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
61.98832	100.0
64.11349	0.3
69.30990	0.3
71.01378	0.4
71.10869	0.4
71.11207	0.7
72.99311	1.2
78.95947	0.5
80.96512	0.5
116.92869	3.7
133.02975	1.6
135.04524	1.6
161.02441	4.1
179.03528	1.3
197.04614	0.7
209.11844	1.6
210.12259	0.5
250.76010	0.3
253.09262	0.6
291.19775	0.7
292.19977	0.3
293.21112	0.5
359.08264	0.4
487.34592	1.2
793.51697	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	792.542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74619	0.3
61.98821	0.9
62.47422	0.3
66.43379	0.3
71.05013	0.7
71.30597	0.6
90.72851	0.3
93.54002	0.3
102.59533	0.3
145.85463	0.3
159.37915	0.3
257.17636	0.3
377.28500	0.4
407.33191	1.0
423.32721	0.7
425.34259	1.4
427.32153	0.9
443.35162	0.6
469.33215	10.3
470.33548	2.1
487.34259	100.0
488.34619	20.0
513.32275	0.3
521.80646	0.4
592.41266	0.3
594.67938	0.3
607.40552	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	791.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03463	0.9
59.01379	100.0
61.98828	2.1
69.03457	0.8
69.31461	2.1
69.31866	4.7
71.01383	14.5
72.99317	3.1
73.02946	6.9
83.01366	3.8
85.02942	6.8
86.00110	0.7
87.00853	1.3
89.02455	1.1
93.03435	1.1
95.01393	2.1
96.96075	0.7
99.00888	2.2
101.02452	13.4
105.59966	0.6
109.02978	0.9
111.00778	0.9
113.02448	4.7
116.92921	0.8
125.02426	1.7
133.02969	1.5
135.04520	3.2
137.02509	1.5
143.03513	2.5
148.05360	1.2
152.51039	0.7
159.03056	0.9
161.02475	5.3
161.04530	3.5
163.04131	0.9
163.07603	1.4
163.19823	0.8
179.03516	1.5
197.04543	1.4
246.47357	0.6
253.04759	1.0
267.06805	1.1
336.06638	0.7
383.63370	0.7
419.29782	0.9
421.31396	2.5
435.29462	1.5
453.30200	1.2
465.29721	0.7
483.31281	3.3
497.28314	1.1
499.28854	1.1
501.32346	1.6
543.32855	2.4
565.34851	1.5
583.36212	4.2
597.34583	1.2
601.37726	1.7
627.35492	1.5
645.36670	3.1
669.97577	0.8
687.37823	1.9
688.39020	0.8
705.38635	14.7
706.38721	5.0
747.39404	4.5
748.40918	1.9
791.41388	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	791.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
61.98830	42.4
71.05012	1.7
71.63047	2.1
78.91898	3.7
78.95909	2.2
81.56344	1.4
84.52087	1.5
94.82005	1.4
109.35963	1.8
111.33269	1.8
131.44072	1.7
152.07227	1.7
152.11320	1.7
161.02473	5.2
162.24593	1.8
179.03528	2.1
197.11914	1.8
209.11819	16.0
217.13644	1.7
227.12836	1.9
235.54498	1.6
253.09232	4.5
254.08694	2.1
309.20712	14.1
469.33066	12.3
487.34268	100.0
518.31439	1.6
565.60461	1.8
655.51306	1.8
791.40192	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	791.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03446	0.8
58.00592	0.8
59.01382	45.3
60.01701	0.7
61.98828	2.6
63.36585	0.4
65.45689	0.4
65.46045	0.5
69.03457	1.6
71.01384	27.0
71.64216	0.4
72.01721	0.6
72.99303	2.1
72.99685	0.4
73.02948	16.2
76.39592	0.4
81.03458	0.5
83.01394	6.2
85.02954	5.1
87.00882	2.5
87.48364	0.4
89.02448	7.0
93.03439	0.5
95.01399	1.2
96.95987	0.6
97.02932	1.1
99.00878	1.5
101.02444	18.0
102.02729	0.5
104.49503	0.5
104.86330	0.4
109.02952	1.0
113.02453	7.7
116.92840	0.6
119.03506	2.5
122.06145	1.4
124.01648	0.6
125.02480	2.4
128.07117	0.5
131.03482	0.9
133.02960	0.9
134.06201	0.4
135.04527	2.0
143.03477	1.8
145.03046	0.6
149.02440	0.8
149.04494	0.5
150.03242	0.5
152.07140	0.7
161.02472	3.3
161.04543	1.6
179.03493	1.0
203.05620	0.8
207.74971	0.5
223.17081	2.6
245.27904	0.5
277.21719	10.6
278.22098	1.6
285.12454	1.0
295.10495	0.4
295.22760	5.6
296.23007	0.6
311.05713	0.6
358.15546	0.6
400.16516	0.6
439.26996	6.9
440.27374	0.9
457.28055	16.0
458.28339	2.9
481.28119	6.1
482.28223	1.1
499.29123	100.0
500.29428	17.6
503.34137	0.6
541.30060	1.4
565.24286	0.8
609.23572	1.2
715.29352	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	791.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72536	0.3
59.01376	2.5
69.56872	0.6
69.57277	1.3
71.01378	1.0
72.99309	16.7
73.02960	1.4
80.41627	0.3
83.01413	0.4
96.96041	0.4
101.02470	1.5
109.02936	0.7
113.02455	0.5
114.13670	0.3
121.10236	2.4
123.04527	7.3
124.04812	0.3
125.02440	0.3
132.02174	0.9
133.02959	20.2
134.03329	0.6
135.04526	17.3
136.04846	0.8
139.11305	0.9
151.04012	0.6
161.02444	100.0
162.02771	6.3
179.03500	15.9
179.05110	0.5
180.03847	1.2
183.10272	6.6
184.10585	0.3
197.04549	19.9
198.04898	1.2
207.10312	0.5
223.02534	0.6
271.22760	0.3
359.07721	37.8
360.08112	5.1
387.16547	2.7
388.17044	0.3
406.65231	0.3
532.04517	0.3
629.22455	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	791.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03466	0.8
58.00594	1.2
59.01381	100.0
60.01719	1.9
61.01812	0.8
69.03458	1.4
71.01385	32.9
71.62029	0.7
71.62454	0.8
72.99324	1.6
73.02947	34.1
75.00922	0.7
83.01394	10.5
85.02948	5.4
87.00879	1.1
89.02448	7.1
93.03476	1.3
94.48206	0.5
95.01411	1.6
97.02991	0.8
99.00895	1.4
101.02449	34.4
102.02793	1.2
108.02215	2.4
109.02995	2.3
113.02454	12.3
114.02756	0.7
119.03503	4.8
122.06042	0.6
125.02480	1.3
126.90514	0.6
131.03506	3.9
134.56647	0.6
135.04521	1.1
137.02470	2.5
143.03490	4.1
147.04521	0.8
149.04544	8.0
152.01186	3.7
153.01968	1.0
155.03506	1.2
161.02438	1.9
161.04562	15.8
161.05853	1.1
162.04826	0.5
179.03596	0.5
203.05663	1.7
221.06657	6.6
269.10297	3.1
270.10553	0.7
311.11514	1.6
349.18619	0.7
435.09354	4.7
435.22504	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	790.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.02864	0.2
81.65132	0.2
112.19231	0.2
116.92857	0.2
131.54279	0.2
209.11748	0.3
253.09560	0.3
263.16580	0.5
289.18106	0.2
291.19916	0.3
309.20712	0.4
366.72128	0.3
648.55133	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	791.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.1
57.03445	1.3
58.00591	1.5
59.01092	2.0
59.01381	38.4
60.28572	1.2
68.99831	1.0
69.36855	4.1
69.37280	5.1
71.01384	21.9
72.99311	2.4
73.02940	2.9
75.00897	1.1
78.52247	0.8
83.01383	12.2
84.58906	1.1
85.02950	4.0
87.00871	2.5
89.02447	23.7
93.03497	0.9
98.19807	2.0
99.00874	2.3
101.02441	4.3
108.02155	3.7
109.02954	100.0
110.03290	7.8
111.00883	47.0
113.02437	5.7
119.03509	2.1
123.04457	2.5
127.00377	2.4
130.26057	1.1
131.03477	2.9
131.05058	2.3
133.02950	6.6
133.78824	0.9
135.04512	10.6
137.02432	1.1
139.00374	65.9
140.00760	2.7
140.63992	0.9
141.01857	1.1
145.02965	2.4
146.03734	1.9
147.04510	8.0
148.04807	1.2
149.04539	5.9
151.03978	2.6
157.01381	3.0
159.04510	36.1
160.04865	4.1
161.02444	5.6
161.04543	2.0
163.04056	1.2
175.03954	6.3
179.03471	3.7
179.05618	2.4
191.03575	1.1
196.32649	1.1
199.92636	1.2
203.03487	18.4
204.03827	3.8
225.05476	1.2
226.06554	1.0
237.05539	2.1
238.06068	1.2
239.09256	1.5
242.95984	1.0
243.52391	1.0
247.02457	3.0
248.65594	1.0
251.07037	2.6
253.04950	1.5
254.05775	4.0
267.06625	3.8
268.07300	1.4
269.08182	37.3
270.08542	4.6
283.11612	1.4
289.05676	28.4
290.06012	2.2
295.06128	1.2
311.05643	2.0
313.07162	22.4
314.07458	3.2
342.89859	1.1
347.17371	1.2
357.06140	63.5
358.06558	14.4
359.06952	1.4
389.18015	2.3
401.14642	1.7
415.02094	1.2
433.17117	90.3
434.17474	12.1
532.21820	1.3
578.37506	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	789.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	12.6
59.57583	3.7
60.14014	3.7
60.54778	3.6
61.98832	100.0
63.44804	4.4
71.01357	5.1
71.55761	4.7
78.95897	7.6
88.98812	9.8
96.44176	4.4
96.96024	3.5
101.02465	5.2
135.04520	5.7
161.02444	9.5
197.11806	6.6
207.10254	11.5
209.11816	18.5
212.85776	3.9
225.11415	4.9
227.17358	3.9
253.09291	11.5
285.12595	4.0
291.19803	6.3
291.95749	3.9
292.38873	3.9
303.85391	4.5
307.19086	7.4
309.20676	19.2
461.19543	5.1
723.50739	4.9
753.41003	13.5
754.40259	6.7
789.38373	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	789.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03423	0.6
58.00599	0.9
59.01381	50.1
60.01708	0.6
60.76237	0.5
61.98830	1.3
69.03445	0.6
71.01387	26.8
71.62586	0.6
72.01723	0.9
72.99303	1.7
73.02950	21.2
75.00861	0.8
78.80010	0.6
81.03446	0.9
83.01393	7.6
83.04955	0.5
85.02953	5.6
87.00877	2.1
89.02458	6.5
95.01384	2.0
96.96023	1.1
97.02938	1.0
99.00881	2.0
99.92589	2.5
101.02446	23.2
113.02454	8.6
113.72174	0.5
116.92865	23.5
117.01898	1.0
117.92864	1.4
119.03502	2.8
125.02444	1.7
131.03465	1.3
133.02968	1.7
134.03674	0.7
134.06079	0.8
135.04550	2.8
139.53104	0.6
143.03494	2.5
145.02971	0.7
149.02509	0.7
149.04538	1.0
152.39604	0.5
155.03491	0.7
161.02446	3.9
161.04550	2.1
179.03426	1.9
197.04637	0.6
203.05528	1.2
204.36533	0.6
223.17029	1.5
251.07298	0.5
262.03473	0.5
267.06726	0.7
275.20163	9.9
276.20477	0.8
277.21683	1.5
293.21259	4.9
311.05835	0.6
375.16672	0.6
422.91031	0.6
437.25415	4.4
455.26529	11.3
456.26624	1.9
459.25006	0.6
479.26797	5.2
480.26889	0.7
497.27560	100.0
498.27930	17.7
520.70618	0.7
539.28796	0.9
546.22601	1.8
788.07214	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	789.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	1.4
59.01386	40.7
61.88283	1.1
69.60941	8.2
71.01386	19.1
72.99305	2.4
83.01394	1.4
85.02950	5.0
87.00892	1.2
89.02449	19.9
93.03452	4.4
94.25616	1.0
95.01369	1.9
101.02461	11.5
109.02964	2.8
113.02447	7.9
119.03492	8.1
135.04526	3.5
137.02467	6.3
138.02806	1.8
159.04492	1.6
161.02443	3.9
168.06535	1.1
176.93904	1.1
179.03513	1.6
179.05586	1.2
179.10779	13.7
180.11110	1.7
197.11855	1.6
223.09744	4.9
225.11290	5.9
227.03526	6.2
228.04309	2.6
241.10863	1.4
283.06113	1.0
311.05643	12.3
312.06003	1.4
343.14130	1.4
359.17050	3.7
360.78406	1.5
403.16071	100.0
404.16351	13.9
482.97983	1.2
661.23792	1.4
789.19458	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	789.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.34861	3.5
61.98825	32.0
71.01363	10.1
71.65800	5.9
72.99315	9.2
73.86511	4.9
75.00871	3.7
80.05071	3.9
93.03450	4.6
96.96040	9.6
101.02404	3.7
106.06629	10.7
109.02973	4.6
116.92872	11.3
120.48660	4.0
121.05334	3.9
122.06149	20.7
123.04515	6.2
127.71601	3.9
133.02954	6.8
134.06129	49.9
135.04514	21.2
152.07217	4.5
161.02461	33.0
161.04613	4.8
164.07161	4.8
174.05591	5.0
178.05121	5.8
179.03519	11.5
214.54297	4.7
216.51123	4.0
218.08220	8.9
237.10316	6.6
241.09761	7.4
251.08302	5.9
263.08273	7.9
265.09793	12.9
266.10065	4.6
277.09839	11.2
293.09360	11.6
295.10944	6.4
295.22794	8.9
300.10962	10.9
305.09320	4.6
309.08801	11.2
309.12497	6.6
315.13400	4.9
323.10294	13.1
337.11755	9.4
367.09534	5.9
398.14944	7.7
412.16760	9.0
414.14618	4.9
415.15067	4.9
430.17188	5.0
440.15799	7.2
454.17566	4.3
462.62534	4.0
472.18454	8.2
474.16754	5.2
486.20206	20.8
487.19501	4.3
530.19397	5.2
531.20111	5.1
546.22552	19.9
562.22101	7.2
575.19092	8.9
576.19971	5.3
590.21472	14.8
607.21564	48.5
608.22076	21.6
621.23724	15.4
622.24097	42.1
623.24896	8.9
637.26196	25.1
638.27301	7.9
681.25684	58.9
682.26135	18.2
713.28339	81.8
714.28613	16.6
745.30945	54.3
746.31158	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	789.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	82.4
60.01739	1.9
67.01855	2.2
69.49507	8.5
69.49926	6.5
71.01384	6.5
72.99271	1.9
75.00887	2.2
81.03459	5.4
83.05021	5.1
85.02962	4.0
89.02449	3.3
93.03422	1.9
93.59908	1.9
95.05041	4.0
98.19917	4.2
98.22135	1.8
101.02443	6.1
101.06100	12.5
106.84943	1.8
109.02967	7.6
109.06595	10.8
111.04513	5.4
113.02465	4.4
123.04521	3.0
123.34935	1.8
135.08171	8.8
137.02435	1.8
141.05588	7.4
151.11212	3.0
153.01991	2.2
160.46309	2.0
177.09219	22.3
195.10283	28.4
196.10611	2.5
207.10248	2.1
219.10310	4.3
221.08199	5.8
227.12451	2.0
239.09244	100.0
240.09665	9.0
263.09229	7.1
281.10306	6.1
311.11282	9.7
341.12430	31.6
342.12665	3.6
351.13019	20.6
352.13303	2.9
373.05710	2.1
387.16583	23.6
388.16757	2.1
401.14511	69.4
402.14783	10.0
504.18359	2.0
509.61639	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	789.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15106	1.6
59.01378	58.5
69.48241	3.7
69.48644	10.6
71.01382	3.9
72.99317	1.8
78.95893	8.5
91.82324	1.7
103.00413	2.5
104.67022	1.6
106.06643	8.7
108.53559	1.8
109.02910	1.8
113.29764	1.7
116.97708	2.2
119.05049	4.1
122.06113	13.0
134.06125	37.6
135.04512	4.7
135.06465	2.1
139.48930	2.0
145.02945	8.5
152.01030	2.9
152.07187	4.9
152.99588	6.0
161.02477	9.8
163.04039	2.3
179.03502	3.1
186.05647	3.3
194.08170	4.6
197.04559	3.1
225.10417	3.5
235.08554	2.1
237.10344	4.2
249.10269	4.1
250.07394	4.5
263.08240	7.0
265.09891	16.1
269.04321	2.2
276.08997	3.3
277.09824	9.9
278.06940	6.5
278.10120	2.2
291.07730	5.5
292.08447	2.5
293.09320	63.7
294.09711	5.1
304.08493	2.0
305.09335	22.2
306.09955	5.2
311.05637	2.3
313.23880	2.4
319.10593	4.2
337.08105	3.3
370.15466	3.2
382.11588	2.3
383.12396	2.6
384.17426	2.1
397.14063	2.3
398.14825	8.6
410.15332	5.4
412.16556	6.5
424.12610	2.6
440.16183	20.1
441.16473	2.3
447.00562	1.9
458.17209	2.0
459.17322	2.0
472.18817	4.7
477.10587	2.5
484.15051	6.1
500.18417	15.2
501.18231	3.4
514.19653	2.3
520.74127	1.9
526.16315	3.3
532.21045	4.9
544.17218	59.6
545.17047	9.7
546.22357	7.7
547.23090	3.6
559.19562	25.0
560.20203	6.6
576.19763	13.0
577.20166	3.2
590.22040	3.2
591.22272	10.7
592.22565	2.1
605.24054	7.6
637.26904	9.5
638.26904	2.9
649.23163	5.9
669.29376	4.4
681.25641	100.0
682.25867	30.5
713.28418	28.1
714.28198	7.7
745.34222	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	789.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	86.3
71.01354	3.3
73.02930	3.1
77.54578	2.1
80.05051	3.5
98.20648	3.9
101.02517	2.3
106.06622	16.5
107.03741	2.0
107.06894	2.5
120.08162	3.0
121.05315	3.5
122.06139	22.4
130.06653	3.2
132.04466	2.5
133.02954	3.0
134.06123	43.7
135.04535	5.9
137.12152	2.1
138.05586	3.7
146.38623	2.0
148.04022	4.5
148.07668	4.4
150.05522	2.9
150.91692	2.0
152.07169	2.9
156.16844	1.9
160.04056	2.6
161.02419	6.7
164.07126	8.4
174.05621	3.3
176.07121	2.6
178.05098	5.8
179.03494	2.7
192.06699	2.0
194.08310	4.0
194.95998	2.6
197.10834	2.8
210.07703	6.8
218.08240	18.0
223.08736	3.6
224.09409	2.7
225.10265	3.0
226.10982	2.7
227.11809	4.5
229.19753	2.6
235.08749	5.6
237.10246	7.1
239.11884	4.0
241.09848	9.0
241.13446	3.7
241.25493	2.1
242.09985	2.0
249.06660	2.8
249.10335	4.0
251.08109	4.0
254.10512	3.7
255.11397	4.9
256.09650	2.0
256.12027	9.7
261.10440	2.6
263.08203	7.0
264.09088	3.0
265.09796	15.1
265.13406	2.9
266.10568	3.7
269.12891	2.8
277.09802	11.7
278.10474	4.1
279.11264	3.0
281.12827	3.1
288.12637	2.0
291.07944	2.3
292.08649	3.3
293.06299	2.0
293.09314	8.4
293.20969	2.5
295.07458	2.2
295.10770	7.5
300.11169	14.5
305.09280	9.1
306.09909	2.1
307.10840	5.9
308.08041	4.6
308.11398	3.5
309.08771	7.6
309.12430	12.1
315.13593	6.0
323.10275	13.2
324.10922	6.9
325.11993	10.0
326.12735	2.3
337.11847	8.6
353.11295	2.3
356.13953	4.5
365.18439	2.3
367.09418	3.2
368.13831	4.7
370.15536	3.9
382.11743	4.9
396.13467	4.8
397.13937	3.0
398.15018	5.8
399.15860	2.8
402.81906	2.4
410.15002	2.6
411.15515	4.0
412.16553	8.5
414.14584	4.6
415.15424	6.0
426.18082	7.2
430.17526	4.6
440.16025	4.4
444.19492	3.3
454.17786	10.9
456.15408	5.9
457.16190	3.2
471.17838	5.0
472.18564	5.9
486.20483	36.0
487.20663	5.9
497.27414	7.6
504.21243	8.1
530.19348	8.8
531.20129	4.0
544.17218	3.4
546.22491	47.1
547.21741	6.0
562.22101	5.6
575.19055	8.8
576.19751	9.1
577.24969	12.7
578.24524	2.3
580.22974	3.1
590.21399	42.8
591.21521	11.2
593.20825	3.1
607.21674	4.5
621.23438	8.5
622.13666	3.5
622.23975	61.0
623.24030	13.6
637.26758	59.3
638.26898	12.1
653.25745	5.1
669.29510	9.8
670.29761	4.0
681.25616	84.2
682.25879	16.7
713.28308	100.0
714.28619	26.9
745.30939	18.6
746.31604	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	789.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82130	1.3
59.01088	2.6
59.01380	50.1
61.98814	2.0
69.34195	2.5
69.34592	11.3
71.01382	2.7
72.99275	1.4
78.95907	1.9
85.02942	1.6
96.96011	1.8
98.80634	1.3
106.06623	5.7
109.02923	3.7
119.20264	1.3
122.06129	10.4
123.04509	7.4
133.02933	8.8
134.05182	2.3
134.06125	31.2
135.04510	7.5
135.06425	1.4
137.02499	2.0
145.02943	2.6
149.02470	2.4
150.03206	3.9
152.07170	3.2
153.05568	9.7
161.02446	40.6
162.02856	3.5
179.03493	5.5
182.08353	1.4
186.05482	1.4
194.08267	2.4
223.48668	1.5
225.10324	2.7
235.08658	1.6
237.10249	4.1
249.10304	3.9
250.07445	4.9
263.08182	5.1
265.09814	12.7
266.10208	2.1
267.06531	4.3
269.04544	11.8
269.91864	1.4
276.09012	3.1
277.09866	9.2
278.06894	8.9
278.09753	2.3
291.07745	6.0
291.11371	3.4
292.08496	1.9
293.09317	57.3
294.09659	3.6
300.14545	1.3
304.08301	1.8
305.09329	21.3
306.09909	5.9
311.05588	6.7
313.07178	3.4
315.13538	2.3
319.10809	4.0
323.07736	3.9
325.12015	2.1
337.08301	3.7
368.14011	1.8
370.15436	1.5
382.11469	2.8
396.13333	2.5
398.15173	8.5
410.14969	5.9
411.15408	2.0
412.16858	6.3
413.17209	1.8
440.16089	17.1
441.16193	2.1
472.18451	5.4
477.14117	21.4
478.14352	3.0
484.14999	3.7
500.18359	13.8
501.18707	2.8
514.19672	2.9
516.17505	3.1
526.16321	2.7
532.20972	5.5
544.17206	57.5
545.17291	12.2
546.22540	3.1
559.19635	23.9
560.19714	4.0
576.20038	14.6
577.20087	2.7
577.45355	1.4
590.21252	3.1
591.22534	6.6
605.23926	7.8
606.25055	2.1
637.26776	7.4
638.26514	1.7
649.22906	5.9
669.29193	4.2
681.25610	100.0
682.25989	25.6
703.33319	1.6
713.28229	23.7
714.28815	5.8
745.32928	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	788.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08871	0.1
57.95733	0.1
59.51345	0.1
61.98832	100.0
62.98525	0.2
69.35889	0.8
80.42225	0.1
89.34634	0.1
99.59668	0.1
116.92854	0.2
118.92731	0.1
123.45940	0.1
223.72449	0.1
240.37653	0.1
279.23431	0.1
280.23669	0.1
340.52783	0.1
533.08118	0.1
643.11639	0.1
789.42963	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	789.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36859	2.0
58.05022	2.0
59.01092	3.9
59.01382	78.1
61.98800	3.6
62.08695	1.9
69.57598	12.7
71.01362	5.5
73.02969	2.4
80.05037	2.3
83.01388	2.4
83.79251	1.8
83.98296	2.0
85.79426	1.8
88.37219	1.8
96.95993	3.4
99.92587	6.0
106.06635	12.3
108.02185	5.4
116.92867	33.3
117.92876	3.6
122.06140	11.0
123.04546	2.2
132.04503	2.0
133.02936	3.9
134.06129	48.1
135.04527	9.2
145.47009	1.9
148.68617	1.9
150.74200	1.9
152.07146	6.2
161.02489	11.9
179.03465	5.2
186.05525	2.8
188.07118	4.1
194.08122	3.9
216.08598	2.2
225.10181	2.3
227.11981	2.1
235.08612	2.3
237.10320	5.9
239.11809	4.2
249.10313	3.1
250.07483	5.6
251.08299	2.4
262.07404	2.6
263.08130	6.5
265.09836	18.3
276.08920	6.1
277.09830	13.4
278.07050	9.3
278.09772	2.1
279.11499	2.2
285.12247	2.4
289.09793	2.5
291.07571	6.2
291.11316	6.9
292.08466	2.2
293.09326	62.1
294.09610	10.1
295.10803	4.4
304.08334	3.2
305.09302	23.5
306.09888	6.8
307.10840	4.4
311.05612	2.2
319.10742	10.9
326.12766	1.9
337.08289	5.8
354.12363	3.2
355.12918	2.2
359.07620	2.2
359.23785	1.9
366.12607	2.8
368.13901	4.4
370.15366	4.7
381.11075	3.0
382.11594	3.3
383.12445	2.9
395.12259	3.0
396.13364	6.4
398.15182	17.3
399.15594	3.4
410.15112	8.3
411.15576	4.0
412.16656	8.5
424.12936	7.2
438.14539	2.7
439.15366	5.6
440.16113	24.5
441.16348	4.4
442.18015	2.5
472.18420	3.4
484.14996	11.9
497.27374	4.6
499.17462	4.9
500.18329	17.5
501.18011	3.1
514.19897	2.8
516.17365	3.7
517.22449	3.2
526.16418	2.6
532.20416	2.3
543.16437	7.1
544.17328	56.7
545.17163	6.0
545.23077	3.4
546.18781	5.8
558.18835	15.6
559.19598	22.1
560.20087	6.1
576.19824	23.1
577.19360	3.8
577.25549	2.3
590.21356	19.4
591.22064	18.4
592.22662	3.9
605.24182	13.9
606.24011	3.2
621.23456	9.7
622.23688	3.7
637.26758	25.3
638.26807	7.6
649.22845	15.8
650.23151	4.2
669.29309	7.4
670.28741	3.3
681.25647	100.0
682.25879	24.4
713.28229	57.3
714.28107	13.2
745.31329	7.9
746.31519	2.5
789.42603	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	787.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53252	0.5
59.01379	4.9
61.98830	7.1
66.36456	0.4
66.66864	0.5
67.21294	0.5
71.01379	2.0
72.99309	3.4
73.02946	1.1
75.00813	0.6
83.05021	0.7
85.02946	0.5
89.02464	0.6
93.03447	0.6
97.06599	0.7
97.91088	0.5
101.02428	1.5
104.61436	0.5
109.02964	0.9
112.98785	0.7
116.92855	0.5
121.02952	100.0
122.03262	4.1
126.90529	0.6
132.02211	0.6
133.02972	2.3
135.04555	3.4
137.02440	0.5
145.02921	0.6
146.05042	0.5
151.04002	0.5
161.02446	6.0
162.02725	0.7
163.11313	0.8
171.10260	1.5
179.03493	2.4
180.05788	1.2
181.06590	6.7
181.08234	0.6
181.08774	0.5
197.06134	0.7
209.11830	8.9
210.12126	0.6
225.05551	5.7
225.14821	0.5
227.12892	1.4
243.16170	0.5
253.09169	2.6
278.20001	0.6
292.61966	0.6
313.07162	69.7
314.07526	6.5
341.23340	6.3
342.23471	0.9
347.25977	1.8
365.26880	1.5
421.25952	1.2
642.13226	0.5
683.33087	0.5
702.45361	0.6
733.58197	0.6
767.54999	0.7
787.40399	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	787.449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81743	1.7
59.01382	5.2
61.98831	27.5
63.26711	1.7
71.01399	3.4
75.00881	3.2
78.95920	3.4
79.89613	1.8
83.05027	2.1
101.02476	2.3
133.02983	2.8
135.04593	2.7
135.77176	2.0
161.02472	5.8
163.11288	3.9
165.12888	3.8
179.03468	2.3
209.11841	100.0
210.12172	6.1
227.12938	12.9
230.23135	2.7
249.18587	43.7
250.18909	5.0
253.09346	6.4
277.21667	4.0
277.37851	2.5
333.74823	2.2
434.95349	2.0
454.04874	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	786.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84717	0.2
61.98833	100.0
63.99264	0.3
68.18700	0.2
69.02316	0.2
72.91180	0.3
73.41441	0.3
75.20657	0.2
78.95943	0.4
92.22789	0.3
116.92893	1.0
117.92883	0.3
148.76889	0.2
209.11856	0.3
259.70703	0.3
277.21744	0.3
279.23163	0.3
467.82767	0.3
561.16376	0.3
639.89471	0.3
764.33533	0.2
786.49323	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	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31311	0.1
61.98832	100.0
62.98538	0.2
98.19887	0.2
113.60898	0.1
209.11882	0.1
239.78371	0.1
264.77621	0.1
277.21732	0.1
427.81512	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	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54668	0.1
61.98833	100.0
80.96535	0.6
100.26241	0.1
108.94588	0.1
152.15182	0.1
164.98637	0.1
186.98056	0.1
225.00844	0.2
276.88113	0.1
277.21814	0.2
350.33337	0.2
358.17981	0.2
621.32629	0.1
787.39398	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	786.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98540	0.2
71.30028	0.3
79.45985	0.2
116.92876	0.5
150.26915	0.2
168.79306	0.2
223.76228	0.2
273.82788	0.2
279.23209	0.2
282.58609	0.2
334.21045	0.2
354.39874	0.2
510.02048	0.2
629.15143	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	785.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72916	0.1
57.99914	0.1
59.01384	0.9
65.03966	0.3
70.49098	0.4
71.01378	0.3
72.58034	0.1
72.99281	0.1
74.83954	0.1
75.02475	0.1
85.02960	0.2
89.02469	0.1
90.62926	0.1
93.03461	59.5
94.03793	2.2
101.02467	0.2
107.05017	0.2
109.02960	0.3
113.02410	0.2
117.05614	0.2
119.99305	0.1
121.02986	0.1
123.04543	0.9
124.02218	0.2
137.02452	100.0
138.02783	4.1
145.03003	0.2
147.04524	0.2
149.02425	0.1
152.01787	0.3
159.04507	0.2
161.02507	0.1
179.03441	0.4
281.06830	0.4
285.09830	0.2
306.03381	0.1
311.05795	0.2
341.08713	0.9
399.12982	2.5
400.13321	0.2
538.59357	0.1
707.96692	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	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.99257	0.7
67.28667	0.2
80.96532	0.9
81.58881	0.3
87.00903	0.2
100.06979	0.3
116.92893	0.9
209.11850	0.6
277.21616	0.3
308.31580	0.3
422.48444	0.3
452.66339	0.2
546.54254	0.3
622.36975	0.3
692.91187	0.3
786.38940	0.8
787.38641	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	784.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98531	0.3
70.93481	0.3
80.96526	0.1
90.02544	0.1
109.78066	0.1
116.92135	0.1
116.92836	0.6
166.81740	0.1
210.71306	0.1
277.16840	0.1
277.21957	0.1
278.22311	0.1
279.45917	0.1
361.96378	0.1
419.60632	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	785.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.6
61.98831	7.1
66.20257	0.3
79.72327	0.2
84.60915	0.2
91.01897	0.5
98.32841	0.2
108.90177	0.7
116.92855	0.4
120.02160	0.4
121.02959	100.0
122.03290	4.1
135.04521	0.5
136.01651	0.6
148.33383	0.2
149.02446	0.3
161.02431	0.7
165.01921	2.3
180.05804	0.5
181.06560	2.5
191.03520	2.0
197.11874	0.3
209.04546	69.2
210.04880	4.0
223.13457	0.3
225.05579	2.5
226.05833	0.3
271.22815	0.2
299.11194	0.2
313.07156	4.2
314.07648	0.4
357.06073	1.7
401.08755	10.8
402.09348	1.7
487.34219	1.1
549.10333	0.6
575.11920	0.4
741.14935	0.5
785.17371	1.4
786.17737	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	784.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38081	0.1
59.01377	0.3
61.98831	100.0
78.95921	0.2
96.56845	0.1
98.44125	0.1
116.92876	0.4
134.67775	0.1
191.34489	0.2
209.11838	1.1
210.12138	0.8
277.21649	0.7
278.22131	0.5
279.22827	0.2
644.40625	0.2
784.46570	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	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98531	0.1
62.99259	0.1
70.43457	0.2
70.43808	0.1
74.36289	0.1
78.95936	0.2
80.96561	0.1
98.20605	0.1
116.92862	0.3
132.94304	0.1
182.38013	0.1
207.10333	0.1
209.11934	0.1
277.21741	0.2
278.22028	0.1
288.16812	0.1
397.08810	0.1
560.19507	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	784.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.5
59.01382	80.9
59.05160	0.5
60.01723	1.0
61.98833	100.0
69.03451	0.6
71.01387	12.1
71.65812	0.6
71.66167	0.7
72.99295	2.5
73.02954	2.9
75.00890	0.7
81.75849	0.6
83.01365	2.2
83.05046	0.6
85.02954	3.9
87.00861	2.2
88.98800	1.4
89.02442	5.1
93.03448	0.9
95.01373	1.2
96.95953	1.7
99.00853	1.5
101.02444	9.8
105.03461	0.6
113.02435	5.2
119.03429	2.1
123.04491	0.9
125.02380	0.8
126.90508	5.2
129.40585	0.5
133.02846	2.1
135.04546	4.5
137.02406	1.3
143.03418	1.1
145.02878	1.0
148.05214	1.3
149.02338	1.1
149.05968	1.0
161.02457	8.2
161.04517	3.6
162.02722	0.9
162.60561	0.6
178.04950	0.9
179.03313	2.1
179.05437	1.1
190.18553	0.5
197.04422	1.0
301.11456	0.9
311.05234	1.2
312.11844	2.1
327.21259	0.7
359.06873	0.5
380.15143	0.6
407.28622	1.8
425.29663	1.0
455.12155	0.7
455.30600	1.7
455.36743	0.9
473.31284	2.5
473.37451	0.8
474.32111	1.0
532.54065	0.7
581.22845	1.2
617.34839	22.1
618.35120	5.7
635.35852	6.4
636.36639	1.4
661.34473	1.3
677.36682	32.0
677.49323	2.6
678.36993	9.2
734.42444	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	783.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50318	1.1
57.15726	1.1
57.49885	1.2
61.89573	1.3
61.98839	9.8
78.95895	1.3
80.96531	1.9
86.04307	1.6
86.94505	1.4
98.20715	2.9
127.12306	1.2
136.73584	1.4
145.99522	1.2
204.66757	1.3
229.84428	1.7
373.60727	1.3
453.33746	100.0
454.34042	20.7
783.41046	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	784.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03437	0.6
58.57992	0.4
59.01382	100.0
60.01717	1.3
61.98832	90.7
62.98552	0.5
69.30051	0.9
69.30466	3.4
71.01382	7.4
71.58859	0.4
72.99303	1.4
73.02941	2.3
83.01382	1.6
85.02959	5.5
85.03448	0.7
86.10038	0.4
87.00873	0.7
89.02473	2.4
95.01366	0.9
96.95972	1.6
99.00826	1.0
101.02463	3.7
102.64053	0.4
110.19485	0.5
113.01820	0.4
113.02456	4.9
117.03482	0.6
119.03449	0.7
123.04517	0.5
126.90434	1.4
128.90143	0.5
130.78189	0.5
133.02872	1.9
135.04521	2.6
137.02362	0.8
143.03435	0.5
145.02815	0.5
161.02444	5.3
161.04454	1.1
162.02629	0.5
179.03494	2.3
184.05029	0.5
197.04454	0.7
267.06326	0.7
311.05414	0.9
339.33282	0.5
349.15640	0.5
407.28787	0.9
425.29849	0.8
455.30978	0.5
473.31531	2.0
587.67999	0.5
617.36890	14.3
618.35480	3.6
635.36212	2.9
636.37018	0.8
661.34515	1.0
677.36938	36.4
677.49628	2.5
678.37286	8.6
679.34369	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	783.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.3
61.98839	5.1
71.01373	3.3
72.31033	1.0
80.16239	1.0
83.05013	2.3
89.02459	2.0
101.02456	2.2
113.02462	1.2
116.92847	2.2
119.45800	1.0
127.89030	1.1
148.53987	1.1
151.04045	1.1
161.02385	1.0
161.04591	1.8
163.11238	2.3
165.12808	1.9
177.00597	1.0
185.49086	0.9
196.28534	1.0
209.11833	75.8
210.12067	5.6
227.12852	8.8
235.08205	5.5
253.09297	9.2
277.21713	100.0
278.22092	12.0
410.60605	1.1
538.17047	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	783.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63818	1.2
59.01376	10.4
61.98833	7.4
67.42404	1.2
71.01379	3.1
71.63163	1.5
73.02958	1.3
78.95890	1.7
85.02953	1.1
89.02438	1.5
97.02958	3.4
101.02434	4.9
109.06573	9.9
113.02439	2.4
116.92837	1.6
121.06636	1.2
125.27729	0.9
128.15192	1.0
143.47690	1.1
145.05157	1.0
161.04446	1.5
163.11290	6.7
164.11591	1.5
182.25432	1.0
189.09164	1.9
196.53122	1.3
201.38072	1.2
207.10260	44.8
208.10559	2.6
225.11325	12.7
226.11591	1.3
235.08295	5.3
253.09265	9.7
277.21716	1.1
279.23270	100.0
280.23685	11.2
320.40524	1.2
443.19131	2.6
459.19473	1.2
461.20096	2.2
705.41931	1.3
723.43225	17.9
724.43536	6.4
783.41937	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	782.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49880	0.3
59.01378	3.8
61.98832	79.0
63.33957	0.3
69.98114	1.7
71.01379	2.0
72.99314	0.5
73.02946	2.3
76.63231	0.3
83.01417	0.6
85.02927	0.5
96.17043	0.3
101.01057	0.3
101.02467	2.1
101.12183	0.4
109.03001	0.4
113.02444	0.6
126.90445	0.3
133.02954	0.8
135.04565	2.1
136.04892	0.4
145.02974	0.3
149.02458	0.4
157.79245	0.3
161.02428	2.9
161.04526	0.3
162.02753	0.4
163.03983	0.4
179.03531	1.1
223.71632	0.3
253.05151	0.8
302.28268	0.4
409.07541	0.4
451.42712	0.4
471.34781	100.0
472.35129	21.5
472.42151	0.6
485.36313	0.7
487.34674	1.0
513.35858	1.4
555.37024	0.4
611.76971	0.4
675.41193	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	782.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44664	0.3
59.01380	3.3
61.98831	100.0
71.01379	3.1
71.62711	0.3
72.99327	0.4
73.02940	2.4
83.01405	0.9
85.02958	1.0
88.63165	0.3
92.53397	0.4
101.02448	2.7
109.02943	0.3
113.02453	1.0
125.02390	0.3
133.02983	0.5
134.58612	0.3
135.04492	0.7
145.02994	0.4
159.99884	0.4
161.02461	1.2
161.04552	0.4
291.19397	0.3
307.18906	0.4
460.39600	0.4
471.34811	13.4
472.35159	3.4
485.36499	1.0
513.36029	0.5
597.38159	0.8
615.39050	12.9
616.39502	3.3
633.40625	1.8
675.40625	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	782.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47392	0.1
59.01375	0.1
61.98832	100.0
62.98526	0.2
69.76576	0.5
71.01376	0.1
75.21233	0.1
78.95911	0.4
80.96536	0.4
82.76883	0.1
107.74078	0.1
185.51779	0.1
209.11819	0.2
210.12251	0.1
211.66396	0.1
223.13406	0.2
224.13855	0.2
225.00841	0.2
241.01320	0.1
255.23233	0.1
258.08997	0.1
277.21820	0.2
278.22061	0.3
378.70993	0.1
553.51172	0.1
632.94586	0.1
782.41113	0.8
783.41791	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	782.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
61.98831	90.9
69.51532	2.4
71.01382	2.4
72.99305	1.8
73.02937	3.2
83.01398	0.9
85.02954	0.6
101.02452	3.2
109.02976	0.6
113.02466	0.6
123.04514	0.4
126.63304	0.4
133.02965	1.2
135.04521	1.8
136.86938	0.3
137.02478	0.6
145.03011	1.0
159.04581	0.4
161.02463	4.5
161.04578	0.5
162.02786	0.8
179.03563	0.8
187.07576	0.5
197.04547	0.4
203.11296	0.4
231.10136	0.5
293.10474	1.1
294.10645	0.9
311.05661	0.7
455.13556	0.9
456.13928	1.6
459.34106	0.4
471.34778	100.0
472.35147	18.3
472.42142	0.7
485.36380	0.7
513.36005	1.4
587.53363	0.4
592.37469	0.6
622.18268	0.4
782.42865	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	782.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.3
59.01383	12.1
61.87820	0.2
61.98833	100.0
62.98553	0.2
69.03461	0.7
70.94946	0.4
71.01385	9.4
72.46038	0.2
72.99319	0.6
73.02947	12.5
74.03268	0.2
75.00883	0.3
81.03474	0.4
83.01390	3.9
85.02962	0.7
87.71606	0.2
92.36233	0.2
97.02959	0.6
101.02448	15.1
104.32492	0.2
113.02427	1.5
125.02451	1.2
131.03502	1.0
135.04482	0.5
143.03474	1.5
149.26105	0.2
155.03517	1.0
161.02457	0.6
161.04541	2.1
203.05630	4.0
207.66206	0.2
238.53543	0.2
289.52621	0.2
407.33160	0.6
425.34097	0.3
462.16583	0.3
465.50204	0.3
467.51657	0.2
471.34787	64.0
472.35107	14.2
472.42084	0.4
485.36337	5.4
486.36523	0.8
513.35846	5.0
514.36029	1.1
543.36884	1.0
557.35034	0.7
650.93353	0.3
675.41095	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	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40073	1.0
59.01377	15.6
61.91625	1.1
61.98830	4.2
69.75464	1.1
71.01387	4.2
77.31326	0.9
80.67110	0.9
89.02428	2.8
97.02962	7.3
97.06599	1.3
98.21274	0.9
99.00893	8.3
101.02455	2.9
109.06602	1.8
110.03747	1.2
113.02462	1.6
125.09724	3.2
130.30907	1.0
135.08249	1.4
142.02724	1.5
162.83942	5.8
163.11288	6.6
164.83595	1.6
181.12349	18.9
197.11826	1.7
199.13364	1.4
207.10251	46.6
208.10556	2.9
225.11308	100.0
226.11708	7.1
243.12383	10.6
253.09288	3.2
257.15182	1.1
277.21707	82.0
278.22040	10.5
294.21579	1.3
303.88263	1.0
306.70581	1.1
443.19186	4.0
461.20282	38.4
462.20657	6.1
481.09735	1.2
483.84225	1.2
631.74805	1.1
644.85052	1.1
694.50909	1.2
721.41644	27.2
722.41907	6.8
771.04987	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	781.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12490	10.1
61.98825	100.0
70.96612	13.4
70.96934	15.8
75.08857	9.5
104.88993	11.1
115.88403	10.2
139.04546	10.2
159.99988	9.5
167.33817	9.8
236.40115	10.0
248.62170	12.4
255.23384	16.6
308.60315	11.0
710.43475	10.7
781.50909	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	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46799	0.8
59.01383	11.5
61.98835	4.1
69.56397	6.2
70.26302	0.8
71.01393	4.3
71.81247	0.8
83.12783	0.8
85.02950	1.4
86.59497	0.9
87.00937	1.0
89.02459	0.9
95.05009	1.1
97.02972	4.0
97.06615	1.0
98.20588	1.8
99.00886	6.1
100.78204	0.7
101.02461	2.9
109.06609	2.8
110.87373	0.8
113.02457	1.8
125.09725	1.3
142.02721	2.3
144.37837	0.9
146.64133	0.8
161.04597	1.5
163.11295	5.8
176.94534	0.9
179.10780	1.3
181.12350	9.2
207.10243	30.4
207.12144	1.8
208.10609	1.8
225.11305	56.2
226.11740	4.3
235.08257	3.3
243.12411	4.4
253.09355	4.5
258.47964	0.8
277.21701	100.0
278.22079	11.5
299.14792	0.8
443.19186	5.2
461.20181	7.8
721.41638	21.1
722.41772	5.0
781.41357	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	781.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79773	0.4
59.01377	3.5
61.98830	4.2
63.15596	0.5
72.99309	7.9
75.00880	5.1
78.34133	0.4
81.99124	0.4
82.80280	0.5
87.00877	2.1
89.18085	0.5
90.16728	0.4
95.76160	0.4
97.68536	0.4
103.00375	2.9
104.03522	1.2
104.08268	0.4
105.01934	100.0
106.02261	1.6
106.64635	0.4
110.38459	0.4
113.02435	0.5
130.77066	0.5
133.12024	0.5
197.61481	0.5
214.66946	0.4
510.88837	0.5
541.73364	0.6
615.38446	0.6
717.78741	0.5
745.68182	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	781.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79638	0.5
55.01884	0.7
57.03451	1.3
58.00598	5.3
58.02986	0.6
59.01381	100.0
60.01709	1.6
71.01385	61.7
71.65061	0.8
72.01723	0.6
72.99315	5.9
73.02945	2.2
75.00867	0.5
78.55414	0.5
83.01383	2.8
84.02154	0.6
85.02956	10.6
87.00887	3.3
89.02448	84.3
90.02783	1.9
95.01383	4.2
97.02962	0.5
101.02447	28.2
102.02795	0.5
103.00364	0.8
105.96411	0.6
113.02450	27.2
114.02784	1.2
118.03303	0.8
119.03505	28.6
123.04506	0.9
125.02435	0.6
131.03496	3.1
135.04509	0.9
143.03511	7.5
148.05109	0.6
149.04555	2.8
154.68338	0.5
161.02425	1.0
161.04553	8.3
179.05614	28.7
180.05859	1.1
281.22287	0.6
347.17160	1.2
389.28195	0.7
417.27563	1.7
419.25882	0.7
435.28894	1.1
443.27859	1.0
453.29935	1.4
467.27521	0.9
497.29138	4.4
498.29105	1.0
515.30078	8.5
516.30151	1.9
557.31110	3.5
558.31268	1.1
575.32159	7.4
576.31958	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	779.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	22.8
61.67526	1.4
61.98840	7.9
69.74568	10.3
71.01366	4.3
75.07533	1.5
78.95895	2.6
82.27644	1.7
85.10372	1.6
87.00906	1.7
87.97904	1.5
89.02454	3.5
101.02416	1.9
116.92892	2.1
161.04599	2.8
167.10835	2.0
179.14546	1.8
195.13945	11.3
196.58308	1.5
205.12331	7.4
208.09918	1.9
223.13394	100.0
224.13741	7.7
235.08218	3.1
251.20226	3.2
253.09248	9.9
255.23062	2.1
277.21716	83.6
277.24759	4.0
278.22086	7.6
309.20886	3.6
453.72650	1.9
459.22379	14.3
460.22849	2.5
584.17792	1.9
679.97412	1.9
713.96564	1.7
779.39270	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	779.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	8.1
69.34579	1.1
69.34982	3.6
69.65906	0.5
72.99323	0.5
79.95739	2.0
83.91037	0.6
96.96011	77.9
97.95963	0.7
103.46509	0.5
138.11087	0.5
156.39380	0.5
161.02382	1.0
222.18933	0.6
265.14783	100.0
266.15079	7.9
405.87534	0.5
426.37592	0.6
448.40479	0.6
471.35016	0.9
752.12244	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	781.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
57.36847	0.2
58.26622	0.3
59.01378	6.2
63.02394	0.8
65.00334	0.5
69.63245	1.8
71.01381	2.8
72.99310	0.3
73.02949	0.5
75.00887	0.7
83.01387	0.3
85.02956	2.5
87.00888	0.7
89.02443	0.6
95.01378	0.8
96.22749	0.3
98.20623	0.5
99.00864	1.3
103.00391	0.3
107.01388	1.3
108.02128	0.3
109.02956	1.1
113.02453	1.8
117.01934	0.4
132.09352	0.2
133.02945	5.5
137.02448	0.3
138.02014	1.2
138.02922	0.2
138.05711	0.4
147.04614	0.3
149.02435	1.5
151.00360	3.6
161.02502	0.3
175.03946	1.8
177.01932	0.4
185.06111	0.3
197.06071	0.4
198.03227	0.4
199.04053	1.6
201.01936	0.5
204.92084	0.3
208.60605	0.3
212.04701	0.3
213.05443	0.4
213.11417	0.3
215.03592	0.6
217.05141	0.9
217.64301	0.2
229.05132	0.4
237.47266	0.3
241.05096	0.6
243.03027	0.8
257.04572	0.3
284.03442	0.5
285.04034	100.0
286.04385	9.3
327.05011	1.0
349.18597	0.4
355.04477	0.3
357.06088	1.0
381.06171	0.4
399.07520	0.3
435.09235	0.4
461.07233	46.7
462.07602	6.8
689.62244	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	777.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84060	0.3
58.67017	0.3
60.60438	0.3
61.98831	100.0
66.22630	0.3
71.35185	0.4
71.35506	0.4
73.05613	0.3
82.63996	0.3
366.93338	0.3
645.56750	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	779.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13060	0.6
59.01381	92.6
60.01708	1.4
63.10232	0.7
67.82693	0.7
69.50423	3.1
69.50848	2.2
71.01382	21.8
72.99297	1.4
73.02534	1.2
73.02943	23.4
75.00860	0.9
81.03455	0.8
83.01395	8.5
83.56710	0.7
85.02947	3.4
89.02449	9.4
95.01392	0.8
97.02940	0.8
101.02448	25.9
107.01402	1.5
113.02458	10.0
117.03480	0.8
119.03493	3.0
119.04985	1.1
123.04443	0.7
125.02444	2.1
131.03496	3.2
135.04460	0.9
143.03505	2.6
145.02936	1.6
149.04575	5.1
151.00371	1.9
161.02402	2.6
161.04547	10.9
171.04494	1.0
179.03506	0.9
179.05476	1.2
197.04657	0.7
197.81859	0.7
203.05655	1.2
221.06631	3.1
222.13393	0.8
239.03545	1.5
240.04230	3.0
267.03085	1.4
268.03760	77.7
269.04462	32.6
270.04947	2.5
303.14093	0.7
311.05716	1.3
319.06821	1.7
337.07956	1.0
359.07858	0.9
419.82077	0.8
431.09790	100.0
432.10159	13.8
581.71588	0.8
691.23926	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	777.479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.8
59.01381	5.2
61.98842	1.2
63.20852	0.3
65.09871	0.4
69.03449	0.5
71.01380	3.6
73.02937	0.8
82.57805	0.3
85.02952	0.8
87.00903	0.5
89.02435	3.2
95.01400	0.4
98.19887	1.2
101.02445	3.3
111.08236	0.5
113.02448	2.0
113.09740	0.5
119.03494	0.8
133.05148	0.4
149.09727	0.9
151.11320	0.7
161.04552	1.5
167.10777	11.8
168.11206	0.7
173.15996	0.4
177.07129	0.4
177.09247	0.7
179.05585	0.6
179.14452	0.8
195.10268	3.5
195.13913	8.6
196.14526	0.7
203.18237	0.4
205.12308	0.9
205.15981	0.4
223.13385	5.2
224.13901	0.5
228.10202	0.5
235.08269	1.2
237.18596	0.5
247.17015	4.1
253.09294	24.5
254.09502	0.9
255.93553	0.4
256.13144	1.3
260.58942	0.3
265.18082	79.1
266.18448	8.5
266.21378	0.5
275.20154	5.5
276.20587	0.6
277.21490	0.4
293.21222	100.0
294.21567	10.6
334.94687	0.4
404.44424	0.4
501.26974	1.2
529.29877	1.1
541.39001	3.0
542.38635	0.4
611.14185	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	777.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.4
70.08317	0.8
70.08728	1.2
72.99310	16.7
95.47097	0.3
107.05070	0.3
109.02853	0.5
109.56263	0.3
113.02486	0.4
123.04528	7.0
124.04799	0.5
132.02176	0.7
133.02959	20.5
134.03357	0.6
135.04530	17.2
136.04861	0.7
140.96768	0.4
151.03992	0.5
161.02452	100.0
162.02777	4.8
179.03500	14.9
180.03842	0.6
197.04556	21.1
198.04927	1.3
267.48456	0.3
273.19104	0.3
331.17462	0.4
359.07724	40.1
360.08084	4.3
373.18481	0.9
378.97192	0.4
391.60550	0.4
437.67767	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	777.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	97.6
61.66929	3.2
66.62839	3.1
71.01382	27.7
72.99308	9.8
73.02947	26.0
73.79860	3.5
83.01385	10.5
85.02964	5.9
89.02470	9.5
93.03462	4.6
94.24280	3.8
96.95999	13.9
101.02477	24.1
106.06604	7.7
109.02971	7.9
110.02508	4.3
113.02452	10.5
119.05037	7.9
122.06116	12.7
123.00927	3.4
123.04500	4.9
125.02444	7.4
132.04564	7.7
133.02940	31.4
134.06129	50.4
135.04549	30.5
136.07684	10.6
137.02423	12.7
139.11377	3.3
142.14949	3.6
146.24313	3.5
148.04019	3.8
149.02446	5.9
150.03252	17.8
150.05612	6.7
151.03674	6.1
152.01198	5.6
152.03607	4.5
152.07155	9.3
153.01944	4.9
161.02435	100.0
161.04552	8.2
161.05896	3.9
162.02785	6.6
162.05530	3.8
163.04068	9.0
165.05515	16.2
166.02696	5.0
166.05914	7.2
167.10802	11.0
174.05580	4.6
179.03493	15.2
181.05045	20.4
182.05444	4.4
185.11830	3.5
190.05113	8.5
191.08221	9.4
192.06650	4.9
193.05109	4.3
195.06609	10.6
197.04506	5.9
209.09268	4.8
214.08961	4.5
221.06689	4.9
225.10410	4.3
228.08873	3.9
229.09808	10.9
229.69440	4.2
235.07158	8.0
239.08334	4.4
239.11971	5.6
243.11415	10.3
253.09772	4.3
255.11145	5.3
257.09271	14.2
265.09842	5.2
271.10855	10.0
272.11542	5.2
273.12448	11.5
275.10480	6.3
277.09763	5.7
279.11627	6.0
281.12869	13.6
289.11707	8.2
293.09152	3.9
307.10959	12.6
316.10684	4.7
317.11453	25.7
319.09464	8.2
323.10422	4.6
334.11755	24.9
335.12445	20.3
336.13156	5.2
337.11896	15.1
339.13495	13.2
343.08212	9.5
356.28351	4.1
359.07684	9.6
367.13052	4.5
389.18195	85.6
390.18622	8.0
397.13950	31.0
398.14127	3.9
399.15543	10.6
412.26889	7.4
418.16116	4.7
419.16156	5.6
428.20102	4.0
454.17862	5.6
485.24127	17.5
514.19379	7.4
515.19330	4.1
531.22656	4.9
557.20599	6.6
558.18787	9.3
566.21570	8.3
567.21667	6.4
575.21692	23.6
576.21051	7.1
590.21558	12.2
591.21973	4.6
601.19379	11.2
607.24158	13.5
614.24695	5.8
615.23572	6.0
633.22040	7.1
657.25452	14.7
683.23743	6.3
701.24811	57.5
702.25031	12.2
715.26361	5.3
733.27258	22.7
734.28693	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	775.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69494	5.1
61.98830	87.5
71.01388	8.9
71.65856	5.9
78.95913	11.2
88.19551	5.1
90.39424	5.3
91.93428	5.2
97.64652	6.1
101.02447	6.4
111.30580	5.7
116.05848	5.4
126.07774	5.2
170.32484	5.9
171.10271	22.2
189.09375	6.1
190.65149	5.0
199.09827	8.6
201.11285	5.9
207.10214	33.2
209.04320	5.2
225.11278	82.9
226.11685	6.0
232.27750	6.3
235.08118	8.1
253.09325	13.3
277.21710	100.0
278.22034	8.4
396.75671	6.2
421.78107	6.1
443.19229	11.0
461.20380	35.4
462.21085	7.8
471.34665	7.4
511.09656	6.3
683.88977	7.0
695.40131	27.7
717.74719	5.9
721.41638	42.6
722.41937	13.0
775.40698	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	775.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53496	0.1
61.98833	100.0
62.99276	0.1
64.19334	0.1
70.96823	0.2
71.21953	0.1
137.79460	0.1
189.25766	0.1
264.69608	0.1
412.46664	0.1
597.95007	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	777.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	52.1
69.61371	13.7
69.61683	3.4
71.01379	28.9
72.99303	7.3
73.02946	32.3
78.38538	1.9
83.01374	10.9
85.02974	2.8
88.90195	1.8
89.02440	4.9
96.96008	12.4
98.20571	4.6
101.02451	24.8
106.06605	2.2
109.03001	4.4
113.02455	4.9
119.03555	3.8
119.05070	5.1
122.06138	2.4
125.02415	2.1
127.36547	1.9
133.02965	18.8
134.06125	9.4
135.04533	15.6
136.07639	2.8
137.02496	5.6
150.03201	5.6
161.02443	75.8
161.04582	4.5
161.06114	2.3
162.02763	6.5
163.04063	12.7
165.05591	5.4
166.05931	2.6
167.10756	20.4
179.03441	4.0
181.05067	23.0
190.05164	2.9
195.06619	3.9
196.79543	2.1
197.04530	2.3
235.07329	1.9
243.29712	2.0
257.09494	2.5
281.13336	2.6
313.07251	2.5
317.11536	6.2
328.00217	2.2
330.49112	2.3
334.11670	4.7
335.12628	3.3
343.08234	8.8
347.16928	4.0
359.07736	3.4
389.13120	4.9
389.18167	100.0
390.18451	8.5
397.14093	8.3
398.14603	3.7
412.26764	2.3
418.16046	2.4
485.23914	12.5
486.24097	2.6
567.22144	3.9
575.21027	3.7
610.79401	2.2
615.24109	2.4
657.25604	3.5
658.25342	2.9
701.24731	11.6
733.28369	4.2
741.62585	2.3
793.49408	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	774.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30244	0.3
61.98833	100.0
71.63419	0.4
103.28003	0.4
150.97855	0.4
181.45059	0.5
341.32263	0.4
783.18915	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	775.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74221	2.5
59.01382	66.5
61.98823	2.6
80.05043	6.0
104.05063	3.9
106.06634	11.7
108.04561	6.5
116.92893	5.1
122.06139	19.1
132.04591	3.5
133.03036	2.9
134.06128	58.7
135.04539	5.5
135.06494	5.3
152.07170	8.5
160.04025	2.8
161.02423	17.8
162.05663	5.2
175.04051	3.2
213.10324	3.4
224.09592	3.7
225.10429	4.3
229.09827	2.9
237.10371	7.9
239.11830	8.0
241.13605	3.0
249.10376	6.2
251.08260	3.5
251.11888	4.4
257.12924	3.8
263.08160	3.7
265.05923	4.7
265.09811	13.4
267.07562	3.3
267.11407	25.5
269.09222	4.1
271.27182	3.2
277.09793	7.5
279.11279	5.4
281.09354	8.0
283.10837	4.9
285.03983	4.1
285.12479	4.5
291.07919	4.1
293.09317	16.6
293.12747	4.4
294.09970	4.0
295.10782	13.6
301.12051	4.6
305.09283	6.6
309.60812	3.2
311.10361	5.2
314.13120	2.9
319.10968	3.4
323.10596	3.2
327.12927	3.3
330.16205	5.7
341.11893	3.1
342.16177	4.4
355.12958	9.8
356.13849	5.0
356.17740	4.3
357.14780	3.9
369.15067	3.5
370.15610	5.8
372.17148	17.2
384.17160	6.7
385.17816	5.6
397.13867	4.1
398.14526	5.2
398.18839	9.1
400.12875	6.7
416.16092	16.9
428.15695	3.7
430.17581	5.4
440.15842	7.9
460.15189	7.4
484.14795	5.5
491.24551	5.0
500.18610	3.9
518.19330	11.6
519.23993	8.5
520.17139	12.6
520.24164	3.6
532.21027	9.9
533.17834	3.7
534.18738	9.3
535.19348	5.0
544.17279	11.8
558.19128	3.9
559.19495	4.4
562.18219	4.1
563.22650	8.2
564.23456	12.5
565.21039	5.2
576.19617	7.5
577.21008	3.7
579.26056	13.9
580.25677	3.3
590.21515	3.3
605.23425	4.1
608.22919	3.7
613.26941	3.5
623.25073	100.0
624.25439	27.2
625.22809	5.6
637.26135	4.0
649.23358	5.1
655.27570	27.3
656.28015	8.7
657.25854	25.5
658.25854	7.5
667.24036	9.5
668.24194	4.4
681.25647	17.2
682.26349	4.1
699.26758	40.3
700.27106	9.6
731.29584	20.6
732.29944	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	775.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	83.9
61.98819	5.3
71.01350	3.2
71.64298	3.6
72.99292	5.8
77.16157	2.8
80.05055	6.1
85.34252	2.7
96.96011	3.3
104.10699	2.7
105.88944	3.0
106.06617	15.0
107.03730	2.8
108.04553	4.8
109.02921	3.2
116.92886	3.3
120.04541	17.0
122.06118	28.7
123.04524	5.3
132.04568	12.1
133.03024	4.8
134.06110	44.5
135.04526	10.9
135.08177	2.8
136.07677	4.8
138.30193	2.8
146.06180	3.1
150.05579	20.4
152.07172	3.9
160.04012	4.6
160.06483	3.0
161.02354	13.3
162.05554	3.0
168.06584	3.1
174.05640	9.0
176.83958	2.9
179.03467	5.5
180.06744	6.7
188.07178	9.3
210.07733	8.7
211.08766	3.8
213.10277	16.3
225.10376	10.1
226.10953	3.6
229.09715	5.3
235.08647	6.4
237.10382	11.7
239.11937	11.8
241.13388	9.4
243.11243	4.8
249.10248	5.3
250.07431	6.7
251.08086	5.5
251.11865	4.0
252.09094	3.8
253.09746	9.7
257.12921	7.2
259.10870	10.3
263.08185	8.4
264.08994	5.3
265.09726	18.7
266.10504	3.1
267.11401	7.2
274.13284	4.8
277.09799	11.6
278.06915	12.4
278.10300	5.3
279.07675	12.8
279.11081	5.5
285.12546	21.1
291.07840	6.0
291.11285	3.5
292.08371	5.9
293.09354	58.1
293.12567	5.6
294.09973	14.6
295.10757	19.0
301.11911	9.3
305.09268	13.0
306.09961	6.2
307.10831	7.2
319.10876	3.9
321.08838	4.8
333.14606	19.4
337.08249	19.2
337.11813	4.3
338.08975	7.8
339.09824	4.2
353.11243	3.6
370.15604	5.9
381.11081	6.3
383.12436	4.8
384.13254	7.0
385.14075	4.0
396.13498	4.8
397.14044	10.3
398.15018	11.9
399.15680	5.5
400.16592	10.0
411.15961	5.7
412.16779	10.5
415.15277	4.5
416.16400	3.4
422.14944	3.6
424.13007	5.2
428.16360	4.2
438.14655	4.4
439.15091	7.3
440.15970	21.0
441.16580	4.6
454.17651	4.7
456.16077	4.0
457.16684	3.1
458.17020	3.6
483.13773	5.1
484.14941	19.2
498.16666	3.6
499.17300	3.8
516.18201	3.1
530.19324	9.1
532.20721	7.4
533.20917	4.5
544.17224	6.8
545.22357	19.5
546.21594	4.8
548.20367	3.0
562.18066	6.6
576.19843	27.3
577.25085	45.9
578.23120	12.4
589.20703	21.4
590.21271	6.0
593.23737	3.8
594.21661	4.5
605.24243	6.9
608.22516	38.0
609.22772	8.3
621.23492	40.7
622.24365	14.1
623.25049	17.3
624.25684	7.2
625.26514	7.0
637.25793	9.2
639.24207	3.7
649.22943	4.2
653.26117	22.0
654.26337	5.4
655.27991	23.8
656.27942	6.0
667.23828	11.8
668.24530	4.6
669.25787	25.2
670.25653	7.9
681.25488	12.5
682.25836	5.6
699.26721	100.0
700.27167	29.5
701.28479	10.6
731.29510	30.4
732.29315	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	773.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12042	0.2
59.01349	0.4
61.98832	10.3
63.45359	0.3
70.30598	0.4
70.30949	1.0
71.01374	0.7
78.95907	7.1
79.95737	3.0
85.68747	0.3
88.12663	0.2
94.98100	0.7
96.96012	100.0
96.96919	9.8
98.02481	0.3
98.90706	0.3
122.50932	0.2
128.68336	0.3
129.23395	0.3
161.19814	0.3
171.10233	0.7
277.21680	0.5
311.22125	0.5
397.13495	0.4
453.09167	0.5
713.31055	0.5
773.43091	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	773.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12673	0.3
55.42219	0.3
56.20906	0.3
58.90673	0.4
59.01362	0.4
61.98833	12.5
70.67596	0.7
70.67952	0.4
78.95903	6.8
79.95741	4.5
94.98092	0.7
96.96013	100.0
96.96906	7.0
97.95964	0.6
209.11749	0.6
306.38452	0.3
314.75934	0.3
369.33701	0.3
487.34656	0.3
553.21582	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	773.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78505	1.8
61.98831	100.0
69.33656	3.7
69.34059	15.3
71.69901	1.5
73.52961	1.6
78.95905	4.1
101.02444	2.0
109.06609	2.2
133.02965	2.9
135.64635	1.7
152.99696	1.8
161.02457	4.4
163.11256	2.6
179.03575	2.2
190.04665	1.6
207.10239	13.0
209.11769	2.1
223.13312	2.7
225.11281	3.8
253.09319	7.0
293.21240	26.3
325.65228	1.8
391.09702	1.9
391.52042	1.8
393.43866	1.9
504.27286	1.7
529.30054	2.4
720.41986	2.1
737.41498	9.8
738.41638	3.0
773.38489	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	773.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.62369	0.3
71.12307	0.4
71.12637	0.6
71.35663	0.3
88.42281	0.3
104.82366	0.3
113.89235	0.3
226.20282	0.3
333.45947	0.3
410.45218	0.3
446.33026	0.4
537.25580	0.4
581.99908	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	774.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
59.01383	100.0
60.01731	1.3
60.91821	0.8
68.01418	7.9
71.01382	10.2
72.99305	0.7
73.02952	3.9
82.03004	0.9
83.01387	1.7
85.02952	5.6
95.01386	1.3
99.00880	1.6
101.02457	6.8
109.02996	0.9
110.02483	4.7
113.02446	4.9
119.05035	0.8
124.04056	0.8
131.03778	1.1
135.04517	3.3
143.03516	1.1
147.04512	9.6
158.06189	2.6
161.02489	1.6
161.04556	10.0
161.05898	1.2
173.35229	0.7
179.03624	0.8
188.05652	1.3
189.05688	0.9
203.05614	8.4
230.06691	32.5
231.07056	2.4
276.08749	7.4
277.09540	0.9
289.16693	0.8
294.09970	1.0
307.17645	3.4
336.10880	5.7
349.18576	6.0
384.04791	0.8
491.95044	0.8
510.88693	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	773.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	56.9
60.00193	1.6
61.06388	1.5
61.98829	3.9
71.01387	3.9
71.65941	2.3
72.00853	1.5
72.99304	3.8
73.02961	2.0
76.39888	1.5
84.20560	1.5
85.02946	1.9
85.57697	1.7
93.03462	2.6
96.96022	2.3
101.02421	2.4
106.06607	6.4
108.04533	2.0
109.02967	1.9
116.92864	10.9
122.06092	12.6
130.23280	1.7
133.02928	5.7
134.06125	37.5
135.04549	10.4
137.02426	5.8
144.51712	1.9
149.02483	2.0
150.03215	3.0
152.07132	5.6
161.02441	18.7
179.03503	5.3
190.05054	5.7
197.04634	1.6
207.42279	2.0
209.11696	3.1
215.87331	1.8
223.08733	1.8
225.10350	1.9
235.08717	6.9
237.10295	10.9
240.08989	12.7
244.16801	1.8
247.08673	3.3
249.06670	3.9
249.10310	2.5
250.07356	4.2
251.08229	3.9
253.09755	2.2
254.10677	1.8
255.11411	19.6
256.11816	2.7
263.08218	10.1
264.08990	4.7
265.09842	15.5
266.10394	1.9
275.08325	2.2
276.09058	3.7
277.07062	2.1
277.09708	10.0
278.10464	2.6
279.11197	2.3
285.04050	4.8
291.07748	3.3
291.11093	2.1
295.10724	2.1
299.10397	8.2
305.09439	2.3
307.10706	2.8
337.11948	5.7
353.11697	2.1
354.12192	2.4
368.14157	4.2
370.15659	4.0
372.13223	1.9
382.11243	2.0
382.15579	3.8
383.16394	2.5
384.17014	5.0
396.13437	4.2
397.14102	19.0
398.14911	5.0
410.15070	3.7
411.15536	4.6
412.16589	6.9
414.14557	13.7
415.15161	2.3
426.14462	7.1
446.17029	2.6
456.16110	2.2
472.18448	2.8
533.21881	2.0
561.21558	9.2
570.72699	1.9
593.23999	3.9
605.19513	3.4
621.23535	63.3
622.23743	16.2
637.22369	2.0
653.25970	17.9
654.26459	3.2
665.22516	100.0
666.22778	26.3
697.25171	44.4
698.25354	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	773.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58750	2.2
59.01385	37.3
61.98831	7.8
66.11970	2.1
71.01373	6.6
72.99316	3.7
73.02961	2.8
89.02458	2.3
93.03474	5.6
94.07221	2.3
96.96078	2.7
101.02459	7.6
103.00388	2.5
109.02939	2.5
113.02437	2.7
120.04544	2.7
122.06107	18.8
123.04546	3.3
126.90531	3.0
129.35474	2.7
133.02968	3.3
134.06136	11.0
135.04527	12.9
136.07710	4.9
137.02397	6.6
145.02980	2.5
152.78378	2.4
161.02451	21.9
179.03514	8.4
205.66864	2.6
209.11861	5.6
236.05930	3.2
237.06693	12.1
238.07497	3.1
239.08192	8.2
241.09775	4.0
242.10594	5.1
249.06567	2.7
250.07434	3.8
251.08257	10.8
252.08926	7.0
253.09814	7.5
257.12900	29.6
258.13290	4.1
263.08264	4.4
265.06140	21.5
265.09747	3.6
266.06738	5.8
267.07568	9.3
277.09894	3.2
278.06696	3.2
279.07736	34.6
280.08438	22.2
281.09314	31.2
282.09692	3.5
285.04089	3.2
292.08224	2.8
293.05682	32.1
294.06250	7.6
301.11880	35.5
305.09265	6.7
307.07278	21.3
308.08023	89.6
309.08731	100.0
310.09268	12.6
311.10349	8.9
312.06958	2.8
323.10315	15.8
324.11118	6.5
337.11838	9.6
339.09946	3.7
340.10681	16.9
341.11328	4.9
342.12366	3.0
352.06866	9.0
353.07874	16.4
355.13062	14.9
356.13712	4.5
367.09244	12.0
370.11868	10.9
370.15936	3.0
384.13562	6.8
385.10211	3.9
385.14499	3.6
386.15002	8.0
397.14090	35.5
398.11099	13.9
399.12064	23.6
400.12204	3.0
412.13046	7.7
413.13794	18.2
414.14590	38.4
415.14706	4.5
419.77942	2.7
428.16479	3.1
430.14188	3.4
444.15405	11.4
445.16388	15.5
446.17114	55.8
447.17462	7.8
458.13422	12.7
459.13638	2.7
477.19089	11.0
478.19547	4.1
488.18216	5.4
490.16208	51.8
491.16647	10.6
516.17535	21.8
517.17645	5.2
520.20795	12.3
521.17578	2.6
522.18591	21.8
523.19080	3.7
530.19305	8.4
548.20142	3.1
560.16638	8.0
562.22119	10.6
574.17969	7.6
592.19305	10.2
606.20874	9.8
621.23761	21.9
622.23877	4.9
653.26154	39.5
654.26367	8.1
665.22363	11.6
685.28552	5.8
697.25348	42.9
698.25513	14.8
729.28235	12.0
730.28143	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	773.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	5.8
67.73472	2.0
68.99816	7.3
69.39325	3.8
69.39737	14.7
71.01393	2.5
73.02940	8.8
75.07748	1.9
80.05070	3.8
88.25816	2.1
93.03429	2.5
96.96045	2.4
98.20666	4.5
99.00882	26.0
101.02487	2.2
102.99683	4.1
103.00369	69.7
106.06615	3.7
107.03778	3.1
109.02964	3.2
114.26234	2.3
120.04543	2.3
122.06119	25.1
130.06627	2.9
132.04581	3.2
133.02921	4.3
134.06117	18.7
135.04526	9.0
137.02399	3.6
145.02850	2.3
146.06114	21.2
149.02425	3.2
152.07176	28.4
158.06140	3.6
160.07649	4.1
161.02371	11.0
165.60353	1.9
172.04118	2.2
174.05690	3.2
179.03517	7.0
186.05553	2.1
186.09192	2.7
188.07143	16.5
190.05013	3.7
197.07053	3.2
198.07829	4.9
204.06642	8.6
209.11826	4.7
213.10330	12.9
225.06662	3.1
225.10297	2.4
226.07423	11.3
227.08154	3.5
229.09825	4.2
236.09480	4.3
237.10207	2.9
239.08318	6.2
239.11876	10.8
241.09811	94.9
241.13518	3.9
242.10176	9.8
245.12889	4.8
246.07605	8.0
247.08315	2.8
249.10378	2.7
251.08012	4.0
251.11871	81.9
252.12207	6.1
253.09814	4.7
259.10864	10.8
263.08136	3.9
263.11816	2.3
264.08795	9.0
265.09711	6.5
265.13416	4.7
267.07983	9.7
267.11310	8.4
271.93118	2.3
275.11865	8.3
277.06317	2.1
277.09741	5.6
278.07242	2.5
278.10461	7.2
279.07822	4.1
279.10791	2.6
285.09320	2.6
285.12357	11.6
291.07657	2.8
291.11142	3.7
293.09363	11.0
293.12921	58.3
294.10037	3.9
294.13205	7.6
295.10800	6.3
299.10455	2.5
301.11914	92.6
302.12234	9.4
305.09137	2.6
306.10123	3.1
307.10760	5.4
309.08798	8.3
309.12268	2.6
311.05588	2.6
319.10986	2.5
321.08737	6.4
323.10330	2.3
325.15552	6.6
327.09860	26.7
328.10626	2.4
337.08359	5.8
337.12170	2.3
351.13364	15.7
357.14267	2.7
358.15640	3.6
369.14563	95.3
370.15128	13.1
381.10767	2.2
384.13708	3.2
392.20462	2.2
397.14032	3.4
400.16693	6.0
401.17200	6.3
412.16440	4.1
426.14355	2.7
456.15341	3.1
460.18695	6.1
463.16669	2.4
476.18475	2.0
484.01282	2.2
486.16553	3.2
489.15515	2.1
503.17111	3.7
504.17657	6.9
516.17621	4.7
518.19446	4.5
520.19934	2.4
532.17578	4.5
550.22083	19.3
551.21991	2.8
560.16504	5.4
565.24365	15.0
566.24841	3.9
591.22174	2.6
592.19299	29.2
593.19452	4.5
597.27240	4.8
605.20264	3.3
606.20691	3.4
609.23584	8.0
621.23553	4.7
623.25531	5.2
633.23633	4.1
637.23053	7.6
638.23413	2.5
641.26172	59.7
642.26465	12.0
653.25732	4.8
654.26862	2.4
665.26270	10.1
669.25983	3.2
673.28729	33.2
674.28723	7.3
687.26392	2.9
697.25092	18.1
698.25323	5.9
729.27655	22.7
730.28046	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	773.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.8
61.98815	4.3
71.01382	4.1
73.02937	3.4
85.02984	1.8
92.70068	1.5
101.02437	5.4
103.00407	2.5
116.92849	5.0
123.04498	2.0
126.90427	2.3
134.06085	5.6
135.04512	3.8
147.09149	1.8
161.02425	4.3
179.03499	2.1
207.10135	2.2
207.21564	1.5
209.11852	3.3
239.11920	1.7
279.07626	2.1
315.13736	3.8
324.83157	1.7
327.10718	3.6
328.10965	2.0
330.08823	2.5
330.12546	2.4
340.10724	2.1
342.12448	5.6
343.13275	3.2
344.14026	3.4
354.08768	2.3
355.09552	3.7
356.10110	3.8
357.11172	3.0
358.12000	7.1
368.10129	2.4
369.11209	2.7
370.11908	28.2
371.12372	8.2
372.13339	14.4
382.08066	3.3
383.08752	3.5
384.09348	3.0
384.13596	9.0
385.14209	8.4
386.15149	23.1
387.15411	5.5
398.11423	36.7
399.12030	16.6
400.13193	2.0
412.12952	13.0
413.13803	36.6
414.14545	100.0
415.14850	18.5
430.13925	4.5
444.15717	16.2
445.16321	25.8
446.17191	30.5
447.17435	2.9
457.12656	3.0
458.13623	34.9
459.13831	6.3
487.34399	14.6
488.34579	6.4
489.15411	2.9
490.16193	36.5
490.23206	2.3
491.16843	8.2
529.35443	2.3
579.22150	2.8
594.23395	1.9
621.23511	52.7
622.23712	16.5
647.21588	2.2
653.26208	15.3
654.26471	4.9
665.22491	19.8
666.22961	4.3
697.25140	25.1
698.25635	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	773.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99748	0.4
54.00879	0.4
54.12500	0.4
59.01385	6.4
71.01377	0.7
72.99317	0.4
77.03958	3.0
84.08766	0.4
85.02910	0.4
89.03988	1.8
93.03462	1.7
95.05025	7.4
95.05594	0.6
105.03461	22.8
106.03780	1.0
107.05025	6.3
108.02179	1.0
109.02955	14.7
110.03281	0.7
117.03476	1.5
121.02956	3.2
123.00913	0.6
123.04516	2.1
129.01953	0.5
132.02174	0.7
133.02957	100.0
134.03281	4.7
135.04512	1.1
145.02974	1.3
149.02414	2.4
150.03163	1.3
151.03995	0.6
159.04456	0.6
161.02466	3.3
162.02802	0.6
177.01927	70.1
178.02274	3.6
178.15707	0.4
178.46013	0.4
179.03473	0.7
211.07626	1.2
221.06091	0.5
222.06801	0.6
237.05687	0.5
239.07222	2.5
240.07382	0.4
241.05040	0.5
249.05531	0.6
250.06374	1.7
266.05768	1.5
267.06601	9.9
268.06970	1.2
269.04544	1.2
280.64313	0.5
280.69809	0.5
304.27887	0.4
311.05582	0.9
325.07074	0.5
373.18637	0.5
381.61844	0.4
406.49030	0.5
445.08081	0.5
611.15991	1.5
729.25342	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	773.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
61.98830	0.8
63.02398	0.3
65.00312	0.4
71.01384	1.7
71.03235	0.3
71.62895	0.3
72.99300	1.0
83.01374	0.4
85.02952	2.1
87.00874	0.6
89.02427	0.4
89.24055	0.3
95.01376	0.7
96.96021	0.4
98.19895	0.3
99.00874	0.8
101.02435	0.4
103.00358	0.3
103.58414	0.3
107.01389	1.0
109.02946	1.2
113.02446	2.8
114.93502	0.2
117.03475	0.4
118.92532	0.2
119.04999	0.3
121.02942	0.7
121.59489	0.2
123.04529	0.7
125.02486	0.3
131.46562	0.3
133.02948	5.9
135.04535	3.2
137.02429	0.3
145.02963	0.4
149.02432	2.8
151.00360	3.3
151.03801	0.3
161.02443	5.9
162.02788	0.6
163.04117	0.3
163.38605	0.3
171.04446	0.3
174.03117	0.3
175.02536	0.6
175.03975	1.8
177.01944	0.3
179.03508	1.9
180.03966	0.3
183.04515	0.3
195.59804	0.3
197.04527	0.7
199.03963	1.5
201.02028	0.5
211.07697	0.4
213.05585	0.5
217.05008	1.1
225.05299	0.3
241.05092	0.7
243.02994	0.6
255.03035	2.1
267.06662	2.3
269.04492	0.8
270.04819	0.5
283.02567	2.0
283.05621	0.4
284.03171	1.1
285.04034	100.0
286.04382	8.2
297.03903	0.6
311.05618	3.7
312.05887	0.5
327.05176	1.1
339.04999	0.5
357.06271	0.7
393.96948	0.3
417.06201	1.9
418.06696	0.4
447.85870	0.3
459.05649	0.9
461.07193	26.6
462.07565	4.1
593.09290	2.4
594.09393	0.4
597.10443	1.4
611.22998	0.3
773.13873	1.0
773.35828	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	771.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57874	0.6
58.00582	0.9
59.01379	15.9
60.36685	0.5
60.74964	0.5
61.98824	2.4
68.51291	0.6
69.59424	2.5
69.59828	1.3
71.01386	10.2
71.05030	1.1
72.99299	1.1
73.02948	16.4
81.03500	0.5
83.01385	5.0
85.02959	0.9
88.98814	0.6
96.96012	3.2
98.20701	0.6
98.95640	0.8
101.02448	12.3
113.02445	2.4
121.02890	0.8
122.48431	0.6
125.02394	0.7
131.03456	0.6
133.03015	0.5
135.04521	1.5
137.02525	0.7
143.03474	0.7
155.03464	1.1
161.02446	1.8
161.04568	1.0
203.05594	1.8
288.59756	0.7
349.84290	0.6
377.28003	0.6
427.32214	7.0
428.32462	1.3
437.30316	0.8
467.31473	1.3
469.33234	10.5
470.33524	1.7
483.35010	1.3
487.34290	100.0
488.34637	21.2
501.35715	2.8
529.35303	5.3
530.35968	1.0
559.36340	0.7
582.78363	0.6
622.47089	0.6
716.33929	0.6
727.33917	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	773.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99224	0.3
59.01373	3.9
61.98833	0.9
63.02384	0.6
65.00334	0.6
66.83399	0.3
67.86716	0.3
69.72459	0.5
69.72868	1.3
71.01380	2.3
72.99294	0.6
73.02929	0.3
75.00858	0.4
83.01390	0.5
84.86060	0.3
85.02965	2.0
87.00871	0.5
93.03457	0.4
95.01358	0.8
96.96006	1.1
98.95601	0.3
99.00864	0.9
101.02430	0.7
103.00372	0.3
105.03488	0.4
107.01381	1.0
109.02948	1.1
113.02448	2.2
117.01889	0.3
119.05054	0.3
121.02948	0.9
122.06102	0.5
133.02948	5.3
134.06129	0.9
135.04529	1.9
137.02440	0.8
149.02466	3.2
150.03195	0.8
151.00320	2.5
161.02444	5.0
162.02786	0.3
175.03952	1.9
179.03455	1.4
185.06119	0.3
197.06189	0.5
199.03995	1.7
201.01846	0.6
213.05627	0.5
217.05054	0.9
241.05064	0.8
243.02965	0.5
255.02859	1.3
255.11635	0.3
267.03049	0.4
267.06567	1.8
283.02438	2.5
283.05283	0.4
284.03171	1.3
285.04041	100.0
286.04395	8.4
297.04184	0.5
311.05594	3.4
312.05734	0.3
327.05057	0.8
339.04959	0.5
348.86011	0.3
357.06113	0.5
381.05969	0.4
387.73669	0.3
399.07318	0.3
407.46362	0.3
417.06345	0.7
447.07343	1.5
448.07303	0.3
459.05762	1.2
460.06006	0.3
461.07224	34.9
462.07623	4.7
597.10211	1.0
621.23486	0.6
623.10632	0.6
653.25708	0.5
654.27399	0.3
665.22485	0.9
697.25250	0.7
772.38348	1.5
773.13428	1.2
773.38470	0.7
774.14252	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	771.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.9
61.98819	0.7
69.03455	0.9
70.75624	1.1
70.75945	1.2
71.01385	12.1
72.99299	1.2
73.02946	15.0
75.00867	3.5
83.01392	4.8
85.02944	1.4
86.00090	2.1
90.46844	0.6
95.01357	0.7
96.96014	1.8
97.02948	1.6
99.00871	0.9
101.02436	14.7
107.90137	0.6
109.02935	1.0
111.00846	1.1
113.02446	2.9
123.04526	3.6
125.02443	1.5
127.00396	0.7
131.03496	1.0
132.02098	1.1
133.02959	25.8
134.03323	0.8
135.04546	2.3
141.01904	1.4
143.03508	1.8
151.04019	3.9
155.03506	1.2
159.04498	0.9
161.02440	100.0
162.02802	6.5
179.03629	0.8
201.04053	2.2
203.05592	3.1
205.15900	0.8
211.17061	1.1
269.08112	2.1
281.17554	1.5
313.07172	26.5
314.07590	4.2
348.60379	0.8
376.91666	0.6
407.33234	2.9
425.34293	5.9
426.34692	1.1
439.32059	0.7
441.33496	3.2
457.33231	0.7
469.33115	7.0
470.33594	1.2
483.34836	1.1
485.32877	1.6
487.34290	57.0
488.34573	13.2
501.35876	4.1
502.36472	1.1
513.32452	0.8
524.87030	0.7
527.33563	0.9
529.35309	9.2
530.35791	1.4
559.36707	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	771.373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38171	0.7
56.60810	0.6
58.00582	0.9
59.01092	1.1
59.01378	20.2
60.48391	0.6
61.98836	6.7
68.99826	0.6
69.03447	0.6
70.39066	1.8
71.01380	11.6
72.99300	2.2
73.02945	15.7
79.95728	2.1
81.95316	1.0
83.01390	5.1
85.02968	1.1
89.02455	0.6
93.03471	1.0
96.96008	47.8
97.95923	1.2
98.95580	22.8
98.96413	4.3
99.00878	1.2
99.92589	9.7
100.92551	0.9
101.02441	14.2
106.31731	0.6
108.02187	0.7
109.02935	1.0
113.02442	2.3
115.92055	2.3
116.92878	0.6
119.04956	0.8
121.02942	1.6
123.04512	0.8
125.02409	1.4
133.02931	3.2
134.06123	6.6
135.04501	3.2
135.06378	1.0
143.03455	0.7
145.02913	0.9
149.02426	2.8
151.03955	0.8
161.02441	8.5
161.04533	1.9
162.02774	1.1
162.05556	0.8
174.01976	4.5
179.03439	2.2
186.01903	1.1
187.02701	0.7
197.04590	0.7
200.03610	1.1
201.70424	0.6
203.05559	3.0
204.95988	0.6
205.96819	0.7
206.04700	0.9
215.95209	6.3
216.95708	1.2
217.96730	1.8
218.04607	0.7
219.94698	1.1
231.94714	1.0
232.95361	1.4
233.96130	2.0
236.94922	0.7
243.94643	6.0
244.95129	1.8
245.96204	1.8
261.95746	0.8
281.12711	0.8
291.98367	0.8
293.09308	2.1
294.09796	0.6
295.00940	0.6
309.12704	0.7
313.07150	1.9
317.99640	0.9
319.97800	2.0
321.08771	10.0
322.09140	1.2
332.98553	0.8
333.99390	3.3
336.98193	0.8
337.98734	1.0
345.99463	1.0
346.99646	0.7
349.99173	0.9
350.99585	2.5
353.11343	4.4
359.97427	1.2
360.98041	3.9
361.98788	13.4
362.99106	2.5
364.97491	1.5
377.98209	1.1
378.98959	1.7
379.99762	1.3
381.10852	9.9
382.11136	1.8
382.98550	1.5
383.98743	0.7
389.98331	1.7
392.97202	4.3
393.97552	2.0
410.98227	1.1
413.13507	17.2
414.13968	2.8
423.32562	2.6
424.33157	0.7
425.34296	0.8
427.32187	4.4
439.32513	1.1
441.33740	1.4
443.35638	0.9
467.31583	1.1
469.33130	7.9
470.33981	1.8
483.34836	1.1
487.34268	100.0
488.34610	21.6
501.35684	3.5
502.35611	1.2
511.01230	1.1
513.31482	0.9
529.02368	3.7
529.35236	8.4
530.02545	2.1
530.35779	1.1
541.02539	1.0
555.00128	1.3
573.00958	1.5
629.05243	0.9
630.05225	0.8
647.06378	1.2
691.05011	2.9
691.40845	0.8
692.05731	1.7
717.03571	0.7
718.03485	0.7
735.04321	5.2
736.04828	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	771.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
55.34014	0.5
59.01382	52.3
69.90250	2.1
71.01389	7.3
72.99291	0.9
73.02937	1.6
81.03452	0.6
85.02950	2.4
87.00872	2.4
89.02438	6.8
93.03455	4.6
97.06564	1.5
98.19921	0.8
101.02447	5.1
109.02920	0.9
111.00847	0.7
113.02462	3.4
118.20005	0.6
118.48855	0.6
119.03522	3.6
119.05057	0.5
135.04543	1.0
135.08154	1.2
137.02449	8.6
143.03462	1.3
147.04453	1.0
147.08133	2.0
151.04057	0.9
153.01869	0.9
159.02994	1.1
161.02490	1.3
161.04610	1.5
163.04013	0.6
163.11398	0.9
165.09157	1.0
179.03481	1.3
179.05585	2.1
186.56204	0.5
187.11261	2.8
205.12341	1.6
225.11322	100.0
226.11671	7.2
227.62379	0.6
233.11839	1.4
269.08191	0.7
277.14404	0.8
341.12296	0.7
385.10294	0.7
385.14755	1.4
385.19116	1.0
668.59900	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	771.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	47.7
60.01698	0.6
60.07609	0.6
69.39006	4.8
71.01382	1.3
73.02957	0.8
84.75698	0.6
87.00898	0.9
97.06596	1.3
99.00855	0.8
108.02171	1.5
109.02982	3.7
111.00872	1.3
113.02480	0.9
119.03596	0.7
119.05031	0.7
133.03015	0.6
135.08145	1.8
137.02473	1.2
141.01895	0.6
147.04507	3.5
147.08160	2.7
151.40411	0.7
152.01149	1.7
153.01924	3.8
159.04541	0.8
161.02420	1.1
165.09213	1.2
174.68147	0.7
179.03397	0.8
181.12405	0.8
213.61855	0.8
225.11320	100.0
226.11678	6.2
230.73634	0.7
261.82245	0.6
269.08167	2.7
313.07190	1.9
315.07092	1.1
341.12363	0.7
356.21500	0.6
385.15097	1.3
413.10870	6.5
414.10904	0.8
643.63104	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	771.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44510	0.5
55.01880	0.6
57.03437	1.6
58.00596	0.9
59.01383	62.5
60.01716	0.7
71.01385	18.7
71.64616	0.8
71.64982	0.7
72.99306	1.2
73.02950	5.2
75.00880	0.7
83.01379	2.2
85.02946	7.0
87.00877	1.8
89.02451	6.5
93.03444	1.9
95.01406	1.1
95.04987	0.9
97.02952	2.1
97.06584	1.2
99.00861	2.0
101.02455	11.1
102.48402	0.7
108.05840	0.8
109.02964	1.0
111.00858	1.1
113.02451	9.9
119.03489	2.2
119.05042	0.6
121.02957	1.6
123.04549	0.7
123.08175	1.0
125.06115	1.5
129.01837	0.7
131.03587	0.6
135.04539	1.6
135.08130	1.3
137.02432	2.4
138.02032	0.6
138.05629	1.6
138.06868	5.6
139.07599	1.9
143.03517	1.6
147.08165	1.4
149.02414	1.1
151.07666	6.3
152.08409	9.7
153.09218	28.6
154.09526	1.2
159.02975	2.4
161.02519	1.1
161.04549	11.6
163.11275	1.3
165.09201	1.5
179.03471	0.9
179.05597	2.3
181.12375	0.9
205.12325	11.1
206.12701	1.0
223.06143	1.6
223.13425	11.6
224.13692	1.1
225.11316	100.0
226.11644	8.0
240.26758	0.6
249.05968	0.8
281.10364	1.5
299.11414	1.0
341.12390	2.3
359.07764	1.0
371.09830	1.2
385.11035	1.1
385.18744	27.2
386.19141	3.4
551.81622	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	771.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	47.7
60.01698	0.6
60.07609	0.6
69.39006	4.8
71.01382	1.3
73.02957	0.8
84.75698	0.6
87.00898	0.9
97.06596	1.3
99.00855	0.8
108.02171	1.5
109.02982	3.7
111.00872	1.3
113.02480	0.9
119.03596	0.7
119.05031	0.7
133.03015	0.6
135.08145	1.8
137.02473	1.2
141.01895	0.6
147.04507	3.5
147.08160	2.7
151.40411	0.7
152.01149	1.7
153.01924	3.8
159.04541	0.8
161.02420	1.1
165.09213	1.2
174.68147	0.7
179.03397	0.8
181.12405	0.8
213.61855	0.8
225.11320	100.0
226.11678	6.2
230.73634	0.7
261.82245	0.6
269.08167	2.7
313.07190	1.9
315.07092	1.1
341.12363	0.7
356.21500	0.6
385.15097	1.3
413.10870	6.5
414.10904	0.8
643.63104	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	771.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.1
61.98832	3.2
69.52815	6.2
71.01376	2.8
72.99308	72.5
73.02950	1.6
83.01379	2.1
93.03446	2.4
96.96006	9.8
98.20693	1.3
100.12431	0.9
101.02447	3.4
105.76742	0.8
107.05049	1.5
108.02129	0.9
109.02951	2.3
110.39672	0.8
113.02438	1.1
121.02958	1.8
123.04530	23.3
126.90541	0.9
131.08051	0.9
133.02979	5.8
134.03737	3.6
135.04527	65.5
136.04845	2.4
137.02444	2.2
151.03960	4.9
154.16350	1.1
155.38153	0.8
161.02444	13.0
161.09677	2.2
179.03499	49.3
180.03838	2.3
187.11263	2.5
189.09276	1.9
197.04549	98.4
198.04936	5.3
205.12299	1.1
207.10364	0.9
218.48056	0.9
239.05563	1.9
285.04074	1.7
311.05615	0.9
341.08545	1.0
359.09924	30.7
360.10190	3.7
411.16403	2.1
547.22260	1.3
549.19727	1.5
591.20563	3.4
609.21857	100.0
610.22272	20.9
769.67847	1.0
771.24554	9.0
771.38385	4.1
772.24988	3.0
772.38269	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	771.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
59.01377	4.0
60.05092	0.7
61.98820	1.7
71.01386	2.0
72.99309	65.6
73.02942	1.0
76.41889	0.8
83.01410	1.6
83.05047	0.8
85.02959	1.3
91.05511	0.7
101.02466	0.8
107.05025	1.8
109.02946	2.8
113.02468	0.9
119.03486	0.7
121.02959	0.7
123.04530	21.9
124.04874	0.8
132.02209	1.0
133.02957	9.3
134.03801	3.5
135.04527	74.1
136.04849	4.5
137.02458	1.5
146.70198	0.6
151.04036	4.3
151.05023	0.8
161.02444	26.4
161.09784	0.8
162.02800	1.5
163.04030	0.7
166.02707	1.0
172.35019	0.6
177.05664	0.7
178.02666	0.8
179.03497	58.8
180.03801	2.5
183.47229	0.8
184.73151	0.6
187.11331	1.6
193.05072	0.7
197.04544	100.0
198.04865	4.8
205.12207	1.3
296.33563	0.7
311.05646	1.3
341.08673	1.3
346.92169	0.7
359.09998	38.7
360.10687	3.5
387.14404	1.5
411.16623	2.5
529.20966	2.2
547.21893	0.9
573.20044	6.2
574.18982	1.1
591.20831	2.7
609.21863	96.9
610.22198	19.8
749.23163	0.7
771.24542	7.5
772.25812	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	771.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
60.83953	0.4
61.98834	1.2
70.81534	0.4
71.01385	1.2
71.62917	0.6
72.99304	10.3
73.02963	0.8
83.01374	0.5
86.09363	0.4
89.00758	0.4
89.02427	0.5
89.04012	0.5
93.03468	0.6
96.96042	0.8
101.02447	0.6
107.05039	1.1
108.02195	1.1
108.49352	0.5
109.02961	1.8
113.02466	0.5
116.92857	3.0
123.04532	5.4
132.02199	1.0
133.02963	19.7
134.02327	0.4
134.03677	2.6
135.04532	59.7
136.04861	2.7
147.04538	0.6
152.01140	0.8
153.01944	0.6
161.02448	100.0
162.02756	5.1
163.04076	0.5
179.03497	38.9
180.03871	2.2
187.11258	0.6
189.07573	0.4
197.04556	13.9
197.06378	0.7
198.04939	1.0
223.02515	0.5
272.62784	0.5
309.03931	0.6
311.05383	0.5
341.08957	0.6
348.40143	0.5
359.07697	33.7
360.08112	3.7
411.16568	2.5
521.13049	1.1
529.20795	1.2
573.19617	2.9
591.20789	5.0
592.20618	1.0
702.11011	0.5
771.24915	14.2
772.25330	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	771.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
59.01377	4.0
60.05092	0.7
61.98820	1.7
71.01386	2.0
72.99309	65.6
73.02942	1.0
76.41889	0.8
83.01410	1.6
83.05047	0.8
85.02959	1.3
91.05511	0.7
101.02466	0.8
107.05025	1.8
109.02946	2.8
113.02468	0.9
119.03486	0.7
121.02959	0.7
123.04530	21.9
124.04874	0.8
132.02209	1.0
133.02957	9.3
134.03801	3.5
135.04527	74.1
136.04849	4.5
137.02458	1.5
146.70198	0.6
151.04036	4.3
151.05023	0.8
161.02444	26.4
161.09784	0.8
162.02800	1.5
163.04030	0.7
166.02707	1.0
172.35019	0.6
177.05664	0.7
178.02666	0.8
179.03497	58.8
180.03801	2.5
183.47229	0.8
184.73151	0.6
187.11331	1.6
193.05072	0.7
197.04544	100.0
198.04865	4.8
205.12207	1.3
296.33563	0.7
311.05646	1.3
341.08673	1.3
346.92169	0.7
359.09998	38.7
360.10687	3.5
387.14404	1.5
411.16623	2.5
529.20966	2.2
547.21893	0.9
573.20044	6.2
574.18982	1.1
591.20831	2.7
609.21863	96.9
610.22198	19.8
749.23163	0.7
771.24542	7.5
772.25812	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	769.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
71.01382	1.7
71.64379	0.6
72.99306	1.1
73.02952	3.8
75.00876	5.3
84.90089	0.2
85.02944	0.5
87.00874	5.9
89.02456	1.3
89.14162	0.2
93.03448	0.6
100.00423	0.6
101.02418	0.5
109.02948	2.7
113.02436	0.6
117.01945	7.5
117.03326	0.3
118.05088	0.9
119.05027	45.4
120.05354	2.0
121.02973	0.5
125.02473	0.3
133.02969	0.4
135.03003	24.0
136.03340	0.6
144.03049	0.5
145.02945	2.1
159.04527	1.5
161.02431	0.4
161.04575	0.6
161.05948	0.3
163.04007	100.0
163.70384	0.3
164.04343	5.0
175.03983	0.4
177.02017	0.3
179.03548	0.5
203.03458	1.0
205.04939	0.6
267.06558	0.4
269.08163	1.2
281.06662	24.2
282.06985	2.1
301.52835	0.3
313.07007	0.7
325.09259	1.2
357.06140	2.4
365.17752	0.3
367.10324	0.5
411.12808	0.4
487.14792	0.5
694.03699	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	771.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
60.83953	0.4
61.98834	1.2
70.81534	0.4
71.01385	1.2
71.62917	0.6
72.99304	10.3
73.02963	0.8
83.01374	0.5
86.09363	0.4
89.00758	0.4
89.02427	0.5
89.04012	0.5
93.03468	0.6
96.96042	0.8
101.02447	0.6
107.05039	1.1
108.02195	1.1
108.49352	0.5
109.02961	1.8
113.02466	0.5
116.92857	3.0
123.04532	5.4
132.02199	1.0
133.02963	19.7
134.02327	0.4
134.03677	2.6
135.04532	59.7
136.04861	2.7
147.04538	0.6
152.01140	0.8
153.01944	0.6
161.02448	100.0
162.02756	5.1
163.04076	0.5
179.03497	38.9
180.03871	2.2
187.11258	0.6
189.07573	0.4
197.04556	13.9
197.06378	0.7
198.04939	1.0
223.02515	0.5
272.62784	0.5
309.03931	0.6
311.05383	0.5
341.08957	0.6
348.40143	0.5
359.07697	33.7
360.08112	3.7
411.16568	2.5
521.13049	1.1
529.20795	1.2
573.19617	2.9
591.20789	5.0
592.20618	1.0
702.11011	0.5
771.24915	14.2
772.25330	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	769.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
69.69696	1.7
71.01398	1.4
72.99324	1.4
73.02951	3.6
75.00876	9.7
79.17572	0.3
79.80010	0.3
87.00881	5.9
87.01413	0.3
89.02445	1.9
93.03469	0.8
96.00887	0.3
98.20747	0.2
101.02448	0.5
109.02951	2.4
113.02412	0.5
117.01945	8.4
117.03461	0.8
119.05028	44.1
120.05362	1.9
121.02999	0.4
125.02453	0.3
135.03001	40.7
136.03304	1.0
145.02954	2.1
147.04521	0.5
152.76791	0.2
153.35817	0.3
159.04532	0.6
161.04610	0.5
161.06104	0.4
163.04008	100.0
164.04330	5.5
177.05482	0.4
179.03436	0.3
186.20012	0.3
203.03503	0.5
205.05037	1.2
269.08133	0.9
281.06656	24.9
282.07089	1.7
325.09277	1.9
326.13770	0.3
357.06125	1.5
367.10376	0.4
395.01770	0.3
487.14340	0.7
655.86853	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	768.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
78.95917	0.5
94.07841	0.3
98.19871	1.3
104.60355	0.3
181.98378	0.3
229.84569	0.4
245.90555	0.4
277.21884	0.4
284.22302	0.3
287.03021	0.4
322.18167	0.3
419.91815	0.4
421.07556	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	769.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81898	0.2
59.01380	2.7
61.98833	56.0
68.16996	0.3
71.01385	1.1
72.99312	1.2
73.02951	0.7
75.00845	0.3
78.95889	0.6
79.95741	4.3
83.01392	0.6
85.02929	0.4
87.00889	0.3
89.02499	0.4
96.96014	100.0
97.95950	0.4
101.02444	0.5
107.05057	0.5
109.02948	0.5
110.78941	0.2
110.88020	0.2
113.02467	0.5
116.92869	1.2
117.03439	0.3
119.05039	0.3
123.04465	0.4
133.02969	1.4
135.04532	2.6
136.01651	3.1
137.02470	0.4
142.46568	0.3
145.02956	0.3
149.02448	0.3
151.04010	3.6
152.99564	0.4
159.04410	0.3
161.02448	5.2
161.09691	0.6
162.02740	0.4
179.03523	1.4
184.57965	0.3
187.11243	0.7
189.09225	0.5
197.04579	0.7
205.12283	0.5
249.11237	0.4
267.06653	0.4
311.05612	0.7
313.07419	0.4
324.46481	0.3
357.13403	1.7
359.07703	1.3
359.98877	0.3
411.16644	0.3
440.63098	0.3
509.10925	1.2
558.41058	0.3
671.13733	0.5
701.32764	0.3
725.31036	1.3
769.30634	2.6
770.31500	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	767.5834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
61.98838	4.5
69.95708	1.3
69.96126	1.9
85.98827	0.6
92.49409	0.7
133.02936	0.8
157.14514	0.6
157.84012	0.6
161.02441	1.9
165.28322	0.6
171.10283	16.8
183.10138	1.0
183.66446	0.7
277.21725	22.1
278.22089	2.3
291.19971	0.7
295.22775	96.0
296.23111	10.4
471.34781	100.0
472.35135	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	768.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03447	0.6
59.01382	50.7
60.01711	0.7
61.98832	100.0
68.86107	0.4
69.03456	0.4
71.01391	5.7
71.34234	0.5
72.99310	1.4
73.02946	2.0
75.00872	0.4
81.03427	0.4
83.01392	1.3
84.84144	0.3
84.97518	0.3
85.02953	3.7
87.00885	0.6
89.02418	0.5
95.01337	0.5
99.00842	1.0
101.02447	6.6
110.26260	0.4
113.02478	1.8
125.02403	0.5
133.02950	2.0
134.03278	0.5
135.04454	0.8
140.56293	0.4
143.03407	1.2
149.02414	0.3
151.03831	0.6
152.04347	0.4
159.02940	0.3
161.02441	7.5
161.04445	1.6
162.02773	2.0
169.67137	0.4
177.11813	0.3
178.02536	0.4
179.03334	0.8
180.03761	0.4
197.11758	1.7
203.05417	0.5
226.74911	0.4
267.06274	0.4
268.06485	0.5
286.98022	0.4
293.09879	0.6
354.40097	0.4
441.29626	0.4
455.12311	1.1
456.12640	1.3
457.32050	5.2
458.32959	0.8
601.35626	8.1
601.45990	0.6
602.35870	1.7
619.36475	11.0
620.36774	2.7
661.37341	16.2
661.49591	1.4
662.37592	4.8
748.78320	0.4
769.37213	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	768.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
59.01383	53.4
60.01727	0.7
61.98833	100.0
67.48555	0.3
69.41153	2.6
71.01385	5.0
72.99329	1.3
73.02941	1.5
83.01370	0.9
85.02961	2.5
86.41010	0.3
87.00919	0.3
89.02424	1.0
95.01383	0.4
96.95981	0.8
99.00864	0.7
101.02442	3.3
109.02934	0.5
111.00892	0.4
111.06774	0.3
113.02449	2.1
121.02892	0.3
121.08618	0.3
123.04492	0.4
125.02417	0.4
133.02983	2.3
134.03223	0.3
135.04536	1.5
136.04872	0.3
143.03354	0.3
149.02344	0.5
150.03148	0.4
151.03876	0.9
159.02930	0.3
161.02449	8.7
161.04466	1.9
162.02794	2.6
178.02560	0.7
179.03284	0.7
189.14713	0.3
267.06210	0.6
268.06622	0.3
293.09894	1.0
294.10223	0.4
311.04880	0.9
312.05396	0.6
441.29086	0.4
455.12231	1.1
456.12613	2.0
457.31995	2.7
458.32794	0.3
481.32303	0.4
499.79132	0.3
601.35565	7.0
601.45868	0.6
602.35791	1.6
619.36456	4.5
620.36841	1.4
656.88574	0.3
661.37286	10.4
661.49591	0.8
662.37622	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	767.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.7
59.01381	72.5
61.48480	1.9
61.98832	22.3
69.47567	14.6
70.83633	2.0
70.90383	1.6
71.01382	40.7
72.99303	8.0
73.02952	10.6
75.00873	4.2
79.87718	2.0
81.41181	1.8
83.01382	6.4
83.85143	1.8
85.02964	14.3
87.00867	4.9
89.02445	13.9
95.01396	4.9
96.96023	13.0
98.20660	3.9
99.00879	4.2
101.02444	19.1
109.02977	5.0
113.02471	20.9
114.93407	3.3
116.92819	2.8
117.03465	2.0
119.03464	5.6
119.04945	1.8
123.04507	2.3
133.02980	5.6
135.04538	9.4
137.02420	1.9
139.07614	3.3
145.02982	2.7
147.04503	2.2
149.02406	4.2
159.04587	2.5
161.02441	23.8
161.04552	2.0
179.03471	6.5
197.04524	3.1
233.15529	3.7
251.16466	9.7
267.06729	2.2
309.20697	3.4
311.05493	2.1
339.05246	2.4
395.20978	3.1
397.13702	2.7
413.21896	9.6
501.35693	3.3
588.20563	2.3
663.41107	64.6
664.41577	15.6
681.42493	8.8
682.42444	4.1
723.43323	100.0
724.43555	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	767.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	84.1
61.98824	1.9
64.65076	0.7
65.28697	0.6
71.01384	7.0
71.66171	0.7
72.99318	1.6
73.02950	5.9
83.01389	2.6
85.02940	1.5
87.00930	0.9
96.96025	1.5
98.95614	0.8
101.02433	10.9
113.02402	3.5
117.03422	2.2
119.05042	1.0
123.04471	1.0
125.02425	1.1
131.03493	1.2
133.02921	1.9
135.04500	1.9
143.03494	1.4
145.02939	4.4
152.01128	1.4
161.02446	5.2
161.04558	1.0
163.03967	1.5
167.03462	2.0
179.03476	2.0
189.17397	0.7
203.03664	0.6
203.05592	1.6
311.05634	1.2
313.07104	0.9
340.93665	0.8
409.31161	1.5
417.28110	1.0
421.30923	2.2
425.30301	0.8
441.33893	5.5
457.33124	3.2
473.32849	1.8
481.32248	0.8
485.32617	3.0
503.33783	100.0
504.34158	20.8
504.39807	0.6
517.35394	2.7
545.34821	15.1
546.35370	3.4
609.57098	0.8
721.38245	2.4
722.38782	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	767.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55207	0.7
59.01380	100.0
61.98819	2.8
71.01379	8.3
71.04979	1.0
71.63228	1.3
72.99315	2.3
73.02945	4.5
74.34879	0.8
75.00897	1.0
83.01395	1.9
83.05049	0.7
85.02952	2.9
87.00871	7.5
88.00390	1.6
88.98827	1.3
89.02429	1.1
93.03469	1.2
96.96004	4.2
99.00894	1.3
99.04514	0.7
101.02451	8.1
109.02958	2.2
113.02441	4.2
116.92868	1.8
117.03477	1.1
119.05049	1.6
123.04532	1.1
127.90134	0.8
133.02971	3.4
134.03755	1.0
135.04521	8.0
136.80147	0.8
137.02441	2.3
143.03499	1.4
145.02983	3.5
149.02420	0.7
161.02437	8.2
161.04584	1.3
163.03990	2.3
179.03487	5.2
197.04555	2.1
253.57039	0.8
255.06480	0.9
267.06702	1.5
268.03625	1.3
283.06152	1.1
298.69467	0.9
304.39148	0.8
311.05734	2.1
312.06519	0.8
339.04996	0.9
359.07910	1.1
385.10931	0.9
421.31232	2.2
422.31650	0.9
441.33621	9.2
442.34085	2.2
457.33188	2.3
459.34729	2.7
473.32693	0.9
485.32806	3.9
486.33173	1.2
503.33777	97.1
504.34131	20.7
519.31567	1.0
545.34863	14.6
546.35114	3.6
559.33331	1.2
561.32758	1.6
600.27600	1.0
646.38141	0.8
647.38074	1.8
707.39856	7.8
708.40186	3.0
724.41351	4.7
767.42444	1.4
768.45325	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	767.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55207	0.7
59.01380	100.0
61.98819	2.8
71.01379	8.3
71.04979	1.0
71.63228	1.3
72.99315	2.3
73.02945	4.5
74.34879	0.8
75.00897	1.0
83.01395	1.9
83.05049	0.7
85.02952	2.9
87.00871	7.5
88.00390	1.6
88.98827	1.3
89.02429	1.1
93.03469	1.2
96.96004	4.2
99.00894	1.3
99.04514	0.7
101.02451	8.1
109.02958	2.2
113.02441	4.2
116.92868	1.8
117.03477	1.1
119.05049	1.6
123.04532	1.1
127.90134	0.8
133.02971	3.4
134.03755	1.0
135.04521	8.0
136.80147	0.8
137.02441	2.3
143.03499	1.4
145.02983	3.5
149.02420	0.7
161.02437	8.2
161.04584	1.3
163.03990	2.3
179.03487	5.2
197.04555	2.1
253.57039	0.8
255.06480	0.9
267.06702	1.5
268.03625	1.3
283.06152	1.1
298.69467	0.9
304.39148	0.8
311.05734	2.1
312.06519	0.8
339.04996	0.9
359.07910	1.1
385.10931	0.9
421.31232	2.2
422.31650	0.9
441.33621	9.2
442.34085	2.2
457.33188	2.3
459.34729	2.7
473.32693	0.9
485.32806	3.9
486.33173	1.2
503.33777	97.1
504.34131	20.7
519.31567	1.0
545.34863	14.6
546.35114	3.6
559.33331	1.2
561.32758	1.6
600.27600	1.0
646.38141	0.8
647.38074	1.8
707.39856	7.8
708.40186	3.0
724.41351	4.7
767.42444	1.4
768.45325	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	767.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	97.8
61.98830	96.9
67.93656	4.0
71.01388	43.6
72.99315	23.9
73.02938	8.6
78.84892	3.7
80.96481	5.3
83.01381	4.9
84.99139	3.2
85.02943	18.9
87.00893	6.4
89.02446	16.5
93.03460	5.1
95.01371	5.7
96.96020	28.0
98.19714	7.6
101.02445	22.3
109.02927	12.3
113.02438	30.3
114.93375	5.6
119.03497	7.8
123.04522	7.8
133.02945	14.4
135.04576	21.8
137.02444	7.0
145.02946	6.7
149.02464	5.3
151.03949	6.0
159.04486	4.0
161.02451	65.5
161.04477	5.6
162.02766	7.9
163.03996	6.1
175.03929	4.2
179.03481	9.6
197.04507	6.5
229.86922	3.9
239.46074	3.5
251.16440	7.4
283.05972	3.7
287.19858	4.0
309.20502	4.9
311.05542	13.0
313.07028	6.8
339.05042	7.5
357.06091	5.2
359.07550	6.5
413.21750	10.4
550.68604	4.2
605.15509	4.2
663.41083	81.4
664.41949	20.6
681.42249	12.0
682.43335	4.4
723.43243	100.0
724.43597	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	767.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29703	0.7
57.03439	1.2
58.00591	4.0
59.01382	100.0
59.63963	0.7
60.99321	1.0
61.45226	0.8
69.42410	5.6
71.01385	66.9
72.01724	0.8
72.99315	5.8
73.02961	2.0
83.01408	2.5
85.02950	11.0
87.00896	3.2
89.02448	83.5
90.02808	1.4
93.46431	0.8
95.01375	4.1
101.02445	30.2
113.02455	25.3
119.03507	31.5
120.03832	1.0
122.24841	0.8
125.02464	0.8
131.03452	3.6
133.02977	2.1
135.04533	2.2
137.02431	1.2
140.03133	0.8
143.03503	7.2
148.05287	1.0
149.04605	2.9
161.02490	3.7
161.04570	8.5
177.01970	0.8
179.05618	29.2
179.07170	1.5
180.06044	0.9
193.01425	7.4
196.74231	0.8
268.32367	0.8
281.43225	0.7
419.29904	1.3
421.31271	2.0
429.30127	1.7
453.30154	1.5
465.30664	1.2
475.28906	0.9
483.31213	4.1
501.32285	12.2
502.32791	2.2
503.33661	3.4
509.70169	0.9
543.33563	1.0
561.34338	9.0
562.34644	2.3
724.42004	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	767.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41017	0.4
55.01890	0.8
56.04760	0.4
56.77133	0.4
57.03454	0.8
58.00618	0.6
59.01383	100.0
60.01717	1.3
61.52540	0.4
61.98843	0.5
71.01385	14.0
71.66048	0.7
72.99332	0.9
73.02940	3.7
76.49527	0.4
78.72986	0.5
81.59855	0.4
83.01395	2.1
84.77937	0.4
85.02953	6.0
87.00906	0.6
89.02448	3.7
95.01395	1.3
96.96009	0.5
99.00910	2.3
101.02447	9.9
106.13628	0.4
107.05043	0.5
109.02905	0.7
113.02451	6.3
119.03540	1.5
125.02459	0.7
131.05177	0.4
131.09146	0.4
135.04546	0.6
136.01669	5.9
137.02408	0.6
147.04565	0.9
149.39040	0.4
150.90700	0.4
151.04018	8.8
152.04364	0.4
159.03094	0.7
159.04547	0.7
161.04558	4.3
163.04051	0.6
163.07709	0.6
173.06091	1.2
179.03519	0.5
187.03993	0.6
187.07668	5.1
201.05627	0.9
202.06380	7.1
203.07014	0.4
216.07974	0.6
231.10239	6.8
232.10568	0.8
269.10312	9.9
270.10550	0.5
311.11337	5.9
311.14157	0.5
342.11047	0.5
357.13394	10.1
358.13745	1.2
390.76263	0.5
411.16595	36.5
412.16940	4.3
504.15637	0.5
770.72961	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	767.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
60.99310	17.3
61.98827	1.2
65.58147	0.2
70.79403	0.6
71.01376	0.4
71.19388	0.3
73.01797	0.2
87.00874	1.1
88.00400	3.4
88.01201	0.2
88.98810	100.0
89.02446	12.8
89.99125	1.3
101.43887	0.3
127.48300	0.2
130.35178	0.2
135.04590	0.3
157.59589	0.3
161.02438	0.7
189.02162	0.3
203.07240	0.3
205.24361	0.2
279.23288	0.9
397.13712	1.2
415.14487	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	767.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
61.98825	3.9
69.33660	0.4
69.33951	3.8
71.01366	0.7
71.55692	0.4
72.99308	40.4
73.50253	0.4
81.03978	0.4
85.02958	0.6
87.00876	0.7
93.03449	0.9
95.05046	0.7
96.96021	0.5
97.06599	3.3
108.88901	0.4
109.02953	3.6
112.70741	0.4
116.92878	1.2
119.05033	0.6
121.02977	3.2
122.03837	0.5
123.04537	2.5
132.02176	1.2
133.02956	26.6
134.03642	1.5
135.04532	12.0
137.02438	1.7
145.02966	0.7
146.03741	1.0
147.04533	0.8
149.02441	13.3
150.03239	10.7
151.03990	2.2
158.03679	0.7
159.04539	1.6
159.08139	0.7
161.02441	100.0
162.02779	5.0
163.04089	0.5
163.07669	0.5
171.10033	0.4
171.26471	0.5
172.05313	1.8
173.06067	1.6
174.03217	1.5
174.06857	1.4
175.03996	1.0
175.07643	2.3
176.04803	1.1
178.02725	4.0
179.03494	11.9
179.46826	0.4
180.03842	0.8
187.04015	1.2
187.07635	16.1
187.79243	0.4
188.04765	0.5
188.08009	0.9
189.05565	0.4
190.06316	2.7
191.10780	2.7
195.12711	0.4
197.04567	1.5
198.06772	0.5
200.04720	0.6
201.05632	1.7
201.09267	2.8
202.06349	3.0
202.09851	0.4
203.07108	1.3
203.10774	2.8
204.07645	0.7
205.08752	2.2
209.57318	0.4
210.60895	0.5
213.09190	4.1
215.07111	1.6
216.07828	0.6
217.08505	0.6
219.10248	13.3
220.10614	1.2
221.11880	0.6
229.08632	3.2
231.06667	0.7
231.10266	12.0
232.10583	1.1
238.06270	0.6
247.09814	1.2
249.05656	0.6
249.11342	1.3
255.06630	0.6
256.71542	0.4
257.08228	1.0
267.06604	9.0
268.07294	1.7
273.07635	0.6
275.09232	8.4
276.09494	0.5
283.06204	2.2
291.08725	3.6
292.09164	0.6
293.04883	1.1
293.10309	41.7
294.10635	4.4
311.05643	12.2
312.06079	1.4
313.07104	2.5
319.08206	0.9
337.03595	0.7
359.07745	1.8
364.95956	0.4
407.11368	0.8
409.13147	0.8
425.12674	0.7
453.11926	1.7
454.12769	0.7
455.13461	58.7
456.13760	10.1
587.15625	0.6
587.86615	0.5
605.16925	1.6
723.42029	0.5
767.19025	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	767.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82411	0.3
59.01361	1.4
59.26583	0.3
61.98833	2.0
69.44717	1.2
69.45142	1.1
71.01390	1.4
72.99307	10.1
77.03973	0.3
83.01382	0.3
85.02939	0.5
89.02431	0.3
89.82812	0.3
93.03441	0.3
95.05035	0.4
101.02457	1.0
105.03454	0.8
109.02972	2.8
113.02427	0.3
116.38155	0.3
117.03416	0.3
121.02954	2.8
122.03728	1.0
123.04527	2.8
132.02135	1.5
133.02956	28.0
134.03772	4.7
135.04529	12.4
136.04913	0.4
137.02434	4.4
138.02716	0.3
139.04021	1.1
139.60646	0.3
145.02954	0.6
147.04460	0.3
149.02440	5.5
150.03215	6.9
151.04013	11.9
152.04326	0.3
159.04538	0.3
160.01691	0.3
161.02443	100.0
162.02766	4.8
174.03275	0.5
177.02029	0.6
178.02707	10.8
179.03494	13.5
180.03854	0.6
187.07721	0.3
195.02971	0.6
196.03726	0.8
197.04529	0.7
225.05696	0.4
231.10165	0.9
237.05495	0.3
239.07175	0.5
249.05649	0.4
250.06206	0.6
254.05669	0.3
265.05038	0.7
266.05823	0.7
267.06622	7.8
268.07349	1.9
275.09241	1.1
281.04706	0.3
282.05484	0.3
283.06119	1.9
293.04803	0.5
293.10287	10.2
294.10696	0.8
310.04785	1.4
311.05615	12.4
312.06262	1.4
313.07178	1.7
314.07785	0.6
337.03287	0.4
341.06528	0.3
358.06723	1.9
359.07712	1.2
375.15643	0.3
378.91183	0.3
380.20883	0.3
447.10965	0.3
455.13467	35.1
456.13733	5.4
491.09616	0.8
582.15045	0.7
587.15930	0.6
605.16870	0.5
605.40399	0.7
640.45990	0.4
767.20551	0.4
767.45972	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	767.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
61.98832	23.2
62.32564	0.6
69.03461	0.9
69.44846	4.7
71.01389	2.1
72.99310	48.1
73.99682	0.7
75.99149	0.5
85.02948	0.7
87.00867	1.2
90.58094	0.5
93.03419	0.8
95.05032	0.8
97.06603	3.7
99.00851	0.6
101.02466	0.7
101.90149	0.5
109.02952	5.6
113.93324	0.5
121.02960	7.1
123.04528	3.5
132.02182	1.9
133.02960	24.3
134.03720	1.8
135.04520	14.0
136.36215	0.6
137.02435	2.3
139.04062	1.0
145.02969	0.8
146.03802	0.8
149.02444	16.7
149.06024	0.8
150.03230	12.3
151.03934	1.9
159.04504	1.3
159.08156	0.9
161.02444	100.0
162.02786	4.5
163.07576	1.2
165.09303	0.8
172.05299	1.6
173.06099	3.1
174.03151	1.6
174.06863	1.0
175.04022	1.3
175.07639	3.7
176.04692	0.8
178.02751	3.9
179.03500	11.5
180.03809	0.7
187.03973	0.8
187.07648	22.5
188.08076	1.7
190.06328	3.9
191.10852	0.8
197.04568	2.1
201.05598	1.6
201.09256	3.1
202.06339	4.2
202.09871	0.8
203.07059	2.8
203.10786	2.0
204.07716	0.6
205.08658	2.7
211.07544	0.6
213.09200	4.4
214.09450	0.6
215.07111	2.0
217.08920	0.6
218.05835	0.6
219.10271	15.2
220.10573	1.3
229.08733	4.3
230.09145	0.8
231.10258	14.5
239.07100	0.7
247.09746	1.0
249.11354	1.2
250.06363	0.8
257.08121	1.4
266.05652	0.7
267.06598	9.4
268.07230	1.7
271.22906	1.3
275.09262	9.7
283.06039	1.5
291.08759	4.2
293.10309	48.1
294.10666	4.7
311.05603	12.8
311.11243	0.7
312.06094	1.9
313.07053	2.9
317.10101	0.7
319.08240	1.7
359.07825	2.3
407.11267	0.9
410.14114	0.8
415.27109	1.0
425.12454	1.5
433.28171	2.2
449.57803	0.6
453.11813	1.6
455.13474	67.2
456.13766	11.6
475.29050	7.4
476.29269	1.0
587.15863	1.2
605.17169	1.1
767.20142	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	766.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30933	6.5
56.92089	7.6
57.68206	6.6
59.01374	49.5
65.10063	6.7
71.01385	39.0
71.03398	17.9
77.79589	6.6
88.25453	7.4
89.02440	36.2
89.10205	7.9
101.02440	36.0
113.02422	19.8
119.03523	21.4
122.85697	6.3
143.03510	6.1
155.00511	7.4
179.05634	18.7
208.49419	6.7
225.22299	17.7
304.49631	7.0
324.82617	8.4
326.27002	37.4
486.67065	7.4
550.47925	10.0
730.54724	100.0
731.55133	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13230	1.7
59.01396	3.8
61.75473	2.0
61.98833	8.6
71.64465	2.0
135.04506	4.2
158.56487	1.8
161.02460	5.0
171.10239	6.3
195.13853	2.6
223.13324	3.4
249.18529	4.1
275.20114	8.7
293.21298	12.5
294.21591	3.7
360.00174	1.9
391.30087	2.3
407.33124	6.0
451.32025	6.3
452.32516	2.1
453.33658	35.4
454.34210	8.5
471.34799	100.0
472.35172	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	766.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80984	0.2
57.03465	0.4
57.09743	0.2
57.12859	0.3
59.01379	56.2
60.01715	0.6
61.98830	100.0
62.64890	0.3
69.03440	0.4
71.01382	5.6
71.62037	0.3
72.99316	3.2
73.02943	1.6
76.02048	0.3
80.02152	0.3
83.01394	0.7
85.02961	2.5
89.02430	1.0
95.01374	0.5
96.95995	0.6
99.00846	0.8
101.02446	3.7
109.02909	1.0
113.02444	2.3
116.92816	0.4
118.48804	0.3
119.03480	0.5
121.02920	0.8
123.04478	0.9
132.02127	0.4
133.02039	0.4
133.02954	6.2
134.03644	0.9
135.04527	3.0
137.02403	0.8
143.03459	0.6
149.02449	1.4
150.03197	1.3
151.03992	2.3
159.04414	0.6
161.02444	22.4
161.04382	1.8
169.62737	0.3
177.01668	0.3
178.02647	1.8
179.03503	2.0
191.10591	0.5
221.06047	0.3
231.10094	0.4
267.06653	2.5
275.09103	0.6
283.05777	0.5
293.10251	2.9
311.05518	3.2
312.05798	0.5
313.06830	0.6
329.06335	0.3
352.08798	0.3
359.07318	0.6
394.66147	0.3
415.83240	0.3
439.27881	0.5
455.13516	6.7
455.31436	2.4
456.31305	0.4
599.35876	8.6
599.44598	0.5
600.36285	1.8
605.15460	0.5
617.36951	5.0
618.35992	1.3
659.38007	13.3
659.48407	0.5
660.38440	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	765.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57779	2.7
59.01384	100.0
61.98832	56.6
69.92004	14.8
71.01377	14.9
72.99297	7.3
73.02940	5.3
75.74299	3.4
84.63881	2.8
85.02955	7.6
89.02462	4.9
97.06579	13.4
101.02441	7.1
105.03462	3.1
109.02948	5.3
113.02422	8.4
133.02943	20.3
135.04544	26.2
143.05049	7.4
145.02986	3.3
149.02498	6.7
150.03204	5.5
151.03973	4.5
159.04526	5.7
161.02460	39.5
161.04533	3.5
168.69377	3.2
175.03928	5.6
177.01852	4.2
179.03436	18.5
184.05296	31.2
187.71013	3.0
188.04665	3.2
199.07646	50.6
203.03485	4.2
225.05545	4.4
226.05933	3.9
229.08490	3.8
240.53532	3.0
267.06659	12.0
283.06235	4.2
309.03952	7.5
311.05627	10.7
312.06506	3.8
313.07086	3.6
425.76141	3.6
428.56577	3.0
453.12036	5.0
499.32724	6.9
599.35968	8.6
609.23969	3.4
615.38690	4.5
659.38049	11.2
661.39655	13.1
721.41602	11.6
722.42065	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	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
60.99309	17.8
61.98830	1.9
66.00911	0.2
68.94447	0.2
71.01373	0.4
87.00887	0.8
88.00390	1.9
88.98809	100.0
89.02444	7.8
89.99141	0.8
90.02851	0.3
98.19814	0.6
125.35101	0.2
171.10262	0.5
182.10884	0.3
207.66536	0.2
220.62939	0.2
223.13345	0.2
249.18521	0.6
277.21799	0.6
397.13480	0.9
480.95892	0.3
783.25861	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	765.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.8
57.03450	5.1
58.00590	2.6
59.01379	100.0
60.01719	1.2
69.03452	0.7
71.01382	66.7
71.37762	0.6
72.01717	1.1
72.99310	1.7
73.02946	25.4
75.00890	1.0
83.01382	15.6
85.02948	35.2
86.03283	0.9
87.00866	3.2
89.02465	5.6
95.01386	5.4
97.02954	2.2
98.03763	0.5
99.00883	11.6
101.02443	88.3
102.02801	1.8
109.02917	0.7
111.00893	0.9
111.96320	0.5
113.02453	30.3
114.02799	1.1
115.09215	0.5
115.63110	0.6
117.94364	0.5
118.31985	0.5
125.02426	1.9
129.01910	1.5
135.04573	0.7
136.45387	0.6
137.67841	0.6
143.03499	4.3
159.02997	5.9
161.04555	38.5
162.04915	1.2
171.61214	0.6
205.03558	0.8
217.93901	0.6
218.48271	0.6
389.28555	1.2
401.28629	0.7
403.26025	0.9
405.27954	1.5
419.29633	6.7
420.29831	1.3
421.31241	10.6
422.31442	1.7
423.28787	1.3
435.29004	3.9
437.30606	1.6
439.32233	4.6
440.32397	1.5
451.28629	0.8
453.29999	5.1
457.33197	1.0
465.30258	4.4
466.30219	0.9
471.30975	1.1
483.31149	32.8
484.31552	6.4
501.32245	16.5
502.32700	2.8
513.28308	1.3
517.31543	1.5
543.33075	5.4
544.33234	1.0
583.36432	3.7
584.36414	0.9
601.37262	8.0
602.37024	1.4
615.35315	1.6
619.38550	1.2
633.35931	0.8
645.36407	11.5
646.36792	2.4
663.37622	6.6
664.37836	1.8
705.38531	96.4
706.38782	27.3
754.90717	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	765.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01721	1.5
60.45501	0.5
70.91458	1.2
71.01381	6.3
72.93352	0.4
72.99297	1.3
73.02954	1.9
83.01424	0.9
85.02966	2.9
87.00898	0.6
89.02454	4.7
95.01406	1.0
101.02460	5.1
110.01270	0.5
113.02440	5.5
119.03487	1.2
131.03555	0.7
133.02959	1.2
135.04568	1.4
139.51608	0.5
143.03506	0.5
149.04518	0.8
161.02451	2.4
161.04539	2.5
177.02161	0.7
179.03496	0.8
179.05681	0.9
212.37448	0.6
269.04590	2.4
303.14618	2.2
313.16577	0.8
331.17694	2.3
373.18622	3.8
374.18976	0.5
505.67139	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	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
60.99309	18.0
61.98831	0.8
69.74181	0.6
69.74593	0.9
71.01363	0.3
82.70963	0.2
87.00884	1.2
88.00410	3.2
88.00996	0.3
88.01165	0.3
88.98809	100.0
89.02444	15.5
89.99136	1.0
101.02457	0.5
129.13544	0.2
161.02373	0.3
277.21768	1.0
313.28888	0.2
370.22821	0.3
397.13522	1.0
398.13589	0.5
415.14798	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	765.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36335	0.5
59.01129	0.7
59.01384	6.8
70.58094	0.5
71.01387	4.7
72.99311	17.6
73.02938	1.2
85.02959	1.1
89.02449	3.2
95.01352	0.6
98.19844	1.6
101.02450	1.5
107.05023	0.8
113.02428	1.6
119.03532	0.9
123.04532	7.3
124.04836	0.7
128.86876	0.4
133.02959	20.2
134.03401	1.1
135.04530	18.9
136.04871	1.0
161.02452	100.0
162.02780	5.8
163.11279	1.6
166.56937	0.5
179.03505	14.4
180.03815	0.7
181.12358	10.3
182.12799	0.6
197.04556	19.4
198.04958	1.7
225.11324	25.3
226.11682	2.0
256.55627	0.5
299.05417	0.6
311.58347	0.6
359.07742	37.1
360.08200	4.5
361.08478	0.5
378.38080	0.5
405.17645	41.0
406.18024	6.3
408.17407	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	765.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
57.03444	1.4
58.00592	1.1
59.01088	1.9
59.01382	38.0
61.00690	0.7
61.98846	1.3
68.87442	0.8
69.03439	1.1
70.17497	0.8
71.01382	18.2
71.05021	1.2
71.66227	0.9
72.99293	2.5
73.02959	8.7
83.01380	3.2
85.02946	7.8
87.00872	2.1
87.04511	2.7
89.02455	4.0
93.03457	13.0
94.03798	1.1
95.01404	1.7
96.96021	11.3
98.95573	1.0
99.00887	2.5
101.02451	14.0
101.06043	1.2
108.02174	12.8
109.02970	7.9
113.02454	7.3
115.92060	1.1
119.03497	1.9
121.03020	1.2
123.04519	4.1
133.02934	2.3
134.06160	1.4
135.04506	4.8
137.02455	22.4
143.03458	1.5
152.01143	17.3
153.01915	6.8
161.02480	8.0
161.04552	2.2
167.03496	19.5
168.03851	0.9
179.03419	2.6
197.04538	1.2
296.11172	1.0
297.06137	3.5
303.93872	1.0
311.05829	1.0
315.07208	4.9
329.06628	5.2
330.06522	1.1
413.21808	1.8
425.58038	0.9
431.22836	3.5
432.22424	1.4
435.09335	43.4
436.09558	6.1
455.22940	1.2
473.23904	100.0
474.24115	13.1
497.24060	2.1
501.32242	1.0
515.24530	1.3
547.19165	2.0
548.19226	3.6
559.30804	2.1
562.26178	1.0
580.22107	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	765.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44435	0.6
57.03427	0.6
59.01384	4.3
70.17285	0.5
71.01373	1.9
71.64159	0.7
71.64566	0.7
72.99306	1.1
73.02924	0.6
77.01125	0.5
81.03425	0.9
85.02939	1.9
87.00878	0.6
89.02424	0.6
93.03457	32.1
94.03796	1.4
95.01364	1.2
95.05043	0.9
96.96009	3.8
98.95606	0.8
101.02431	1.3
108.02178	29.4
109.02976	14.0
109.78764	0.6
110.03313	1.0
113.02434	0.9
121.02988	1.4
122.03741	0.7
123.00901	0.9
123.03701	0.9
123.04525	11.1
133.02942	2.4
134.03719	0.8
134.06140	0.6
135.04521	4.4
137.02446	49.5
138.02786	2.4
139.03976	1.2
149.02426	1.2
151.04047	1.2
152.01154	43.3
153.01938	19.6
154.02254	1.2
161.02437	8.8
162.02847	0.9
163.04041	1.8
165.01939	0.6
167.03494	49.2
168.03870	2.2
179.03490	2.4
181.05020	0.7
197.04553	0.6
297.06216	6.9
315.07242	11.4
316.07492	1.0
329.06628	17.8
330.07092	2.1
410.95187	0.6
417.00729	0.8
435.09314	100.0
436.09628	14.5
473.23831	3.6
547.19196	1.5
548.19446	1.3
579.21790	1.1
713.73694	0.7
747.08124	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	763.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92890	0.3
59.01382	100.0
60.01714	0.9
60.33563	0.3
61.98834	2.9
71.01408	0.8
71.62922	0.5
78.95903	0.3
83.90884	0.3
85.20199	0.3
90.94769	0.3
96.96040	0.3
101.02428	0.8
128.12556	0.3
135.04568	0.6
161.02451	0.7
212.83401	0.3
302.09851	0.4
326.67413	0.3
417.11063	0.4
601.38116	0.7
619.39606	0.5
661.39819	1.9
662.40216	0.6
703.40881	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	763.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06939	1.1
61.98831	6.8
61.99095	1.1
62.44354	1.0
64.80789	1.0
71.32506	0.9
71.35745	2.4
71.38593	1.0
90.67871	1.2
95.71438	1.1
106.24981	1.1
121.10210	4.8
123.08178	1.1
125.09699	2.8
135.04504	1.5
185.11856	7.0
197.11728	1.7
222.36693	1.2
291.19656	66.5
292.19983	7.0
371.38528	1.1
384.92581	1.1
471.34781	100.0
472.35123	17.1
577.26843	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	763.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18639	4.2
59.01380	67.6
61.98820	6.1
69.20193	3.8
70.12330	16.5
71.01376	12.6
71.19219	3.9
72.99297	8.3
73.02950	8.2
78.95896	4.7
94.06604	19.2
96.96022	46.7
98.20481	5.8
101.02472	6.8
104.38956	3.8
104.84335	4.0
106.06577	5.9
106.74828	3.9
109.02964	6.8
113.02484	5.0
116.92871	10.7
118.06608	9.9
120.04551	5.1
120.08231	5.7
120.28979	4.3
121.05372	4.3
122.02489	10.3
122.06123	42.8
123.03255	20.0
123.04517	7.3
124.63744	3.9
133.02940	9.7
134.06151	22.7
135.04520	23.6
136.04039	10.7
136.07738	5.7
137.04807	5.7
138.05612	100.0
138.56430	4.1
144.08221	4.2
145.02939	6.7
146.06094	10.2
149.02364	4.1
152.07132	6.3
152.99532	4.3
160.06453	6.7
161.02431	27.8
162.02785	5.7
162.05612	26.1
162.06720	4.6
164.25462	4.7
174.05602	7.4
179.03488	23.0
188.07172	20.8
213.10336	30.1
221.15428	7.8
225.10355	4.0
226.11055	6.1
236.09413	5.6
238.11026	4.3
239.11903	54.7
240.12369	8.0
241.13522	20.7
249.10391	10.8
251.11887	11.5
263.11887	7.2
264.08838	5.1
265.09778	14.1
265.14362	23.0
266.14807	14.2
267.11462	8.4
267.15240	4.8
277.09818	12.2
279.07797	5.1
279.11508	14.7
281.12897	6.5
285.12466	88.3
286.12793	6.4
291.07953	6.3
291.11380	11.9
292.08484	5.1
292.12057	12.5
293.09317	29.1
293.12836	15.1
299.10333	7.2
306.10184	5.8
307.10941	27.2
308.11572	18.4
309.12271	11.7
311.10074	5.3
323.13928	7.1
335.10083	7.7
344.13849	4.8
346.19272	9.1
352.10602	8.2
353.11353	12.0
356.10098	4.5
356.14163	9.7
357.14984	7.9
365.11511	6.9
370.15530	15.4
372.17090	19.1
384.13376	16.2
397.14246	5.6
398.14923	9.3
399.15637	20.1
400.16052	8.3
412.16840	26.0
414.18234	50.8
415.18427	7.9
428.16055	18.4
446.16318	6.4
456.15741	9.3
458.17065	31.3
459.17859	5.4
460.18774	7.1
471.14621	5.2
472.15250	5.8
488.18140	10.4
490.20844	25.9
491.20151	7.0
495.94852	4.8
504.18121	8.8
518.19171	7.9
520.20264	5.9
533.21655	5.5
536.20190	18.4
537.20844	6.1
551.23083	67.5
552.23120	19.2
564.19849	8.9
565.24609	10.0
569.24377	5.8
577.20367	7.9
578.20618	7.3
583.25214	13.6
595.22034	93.6
596.22241	30.2
609.23694	8.3
610.22278	12.3
611.24805	18.4
612.25580	6.7
625.26324	9.2
627.24524	69.2
628.24597	18.1
641.26270	11.7
642.25232	6.5
643.26398	5.8
646.25513	5.0
655.23944	25.7
659.27338	15.6
660.27283	9.5
687.26343	39.8
701.28815	11.9
702.27448	6.7
712.95654	4.3
719.30670	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	761.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.2
69.60849	2.1
69.61285	1.9
71.01352	0.6
78.95938	1.0
96.04573	1.1
98.19865	1.0
100.07953	0.4
103.62089	0.5
108.04559	2.7
119.01057	0.5
122.06100	1.5
122.82243	0.5
124.04049	12.1
124.07670	6.2
132.04503	0.5
134.06113	3.9
135.04541	0.9
136.04054	5.6
137.02425	0.6
137.04800	0.8
150.05664	0.8
152.05963	1.0
152.07164	14.0
152.99585	0.8
158.02429	0.5
160.04054	2.1
161.02419	1.1
165.05432	0.5
168.06674	2.4
178.05089	6.1
190.05116	2.1
196.06146	100.0
197.06497	6.6
239.11890	0.7
245.04192	1.0
248.52251	0.6
257.12897	2.0
277.09903	0.6
283.10794	1.1
301.11896	1.1
305.09131	0.9
321.12524	0.5
337.11896	2.6
397.14005	5.3
398.14337	0.7
450.67105	0.6
453.77484	0.7
501.48224	0.6
522.19409	0.8
534.18945	2.9
566.21515	5.1
567.21637	1.5
578.21893	0.6
594.21008	2.8
717.30688	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	761.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.5
61.98819	1.6
69.29870	4.9
71.01380	1.2
73.02928	0.7
78.95916	1.6
79.10365	0.5
80.05063	0.8
94.77973	0.4
96.95997	1.8
101.02449	0.8
106.06641	4.2
106.07272	0.8
107.03817	0.5
108.04539	1.0
122.06132	7.0
123.04535	0.6
124.04042	0.7
131.03574	0.5
132.04581	3.1
133.02997	0.8
134.06123	32.1
135.04512	1.8
135.06444	1.5
136.03999	0.9
136.07648	1.0
137.63374	0.5
144.04535	1.4
146.06122	0.9
150.03265	0.8
150.05597	4.0
152.07175	5.0
152.99573	1.7
155.01646	0.6
158.02451	1.6
158.06085	1.1
160.04057	3.1
161.02455	2.8
162.05627	1.7
165.05602	0.7
172.04051	0.9
174.05595	1.3
176.03535	2.2
176.07120	0.6
179.03494	0.8
180.06630	0.9
186.05618	0.5
188.07179	0.5
190.05115	6.1
191.05690	0.5
192.06674	0.5
194.08234	1.8
195.06664	0.7
196.06122	3.8
197.04637	0.5
202.05069	0.9
204.06711	0.6
211.08772	0.9
211.12425	0.8
215.11821	1.2
223.08664	2.5
224.09515	2.1
225.10252	1.3
227.08138	0.5
227.11844	0.9
229.01782	1.1
235.08719	1.9
236.09483	1.6
237.10197	0.9
238.07390	0.6
238.11026	0.5
239.08223	0.9
239.11929	7.5
240.10242	1.5
240.12357	1.1
241.09792	1.6
245.04298	0.8
249.06566	0.5
249.10309	3.5
250.11040	1.5
251.11877	4.4
252.08646	0.5
253.06123	3.0
253.09854	1.5
255.07687	1.4
255.11406	0.6
263.08197	2.1
264.09055	0.6
265.09912	2.3
265.13354	1.7
266.06845	1.1
266.10281	0.5
267.07709	2.6
267.11374	1.4
268.08469	3.0
268.11279	0.6
269.08875	0.5
271.11050	0.6
277.09821	2.6
278.10449	1.6
279.07755	1.9
279.11340	3.2
280.08499	2.6
280.11649	0.9
281.09244	2.1
281.12445	0.5
283.10880	27.5
284.11212	3.4
292.08408	0.7
293.09290	1.6
294.10059	1.8
295.07367	0.6
295.10815	12.6
296.11353	1.6
305.09299	3.0
306.10016	2.4
307.10867	5.3
308.11279	0.8
309.08710	2.0
309.12427	3.2
310.09390	0.7
310.12827	0.7
321.08859	0.9
323.10349	2.2
327.09750	1.0
337.11810	3.6
338.12451	1.1
358.19281	0.8
386.18771	1.9
387.16739	0.9
391.05118	1.3
397.14044	1.8
402.18359	3.1
403.18811	0.7
412.16687	0.6
428.16223	1.3
430.17685	16.4
431.17819	2.8
442.17056	0.9
448.18658	1.9
456.15808	1.1
462.20349	1.2
474.16806	2.2
487.33841	0.8
488.17963	0.8
488.34494	0.5
490.19876	19.9
491.20209	3.7
492.17578	1.0
502.20203	2.3
506.19418	0.9
507.19687	0.7
513.26874	1.0
522.22455	0.8
534.18799	100.0
535.19122	20.8
546.18774	4.6
547.19250	0.9
562.18909	0.9
566.21411	45.5
567.21765	9.1
578.21375	2.3
579.21667	0.8
594.21234	1.3
717.30560	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	761.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62901	1.2
59.01384	25.0
61.98821	5.5
68.12518	1.4
69.30030	12.8
70.60629	1.0
71.01385	2.5
72.99330	1.1
78.95916	4.4
80.05031	3.2
80.73238	1.1
96.96023	2.9
98.19875	2.1
101.02518	1.2
102.79285	1.1
104.05077	2.7
106.06622	4.5
108.04549	3.2
117.03406	1.8
119.05035	2.2
120.04562	4.1
122.06129	11.7
132.04558	2.6
134.06111	20.5
135.04515	4.6
136.07657	5.9
145.02959	5.0
150.05608	4.9
150.06715	1.4
151.07349	1.6
152.07162	2.4
152.99596	6.1
160.04082	1.7
161.02443	2.8
162.05609	1.2
163.07602	1.4
179.03549	2.1
180.06648	4.1
188.07129	8.2
188.10788	4.3
210.07602	2.6
211.08842	2.3
214.12405	5.9
223.08707	1.6
225.10326	5.7
226.11023	2.2
229.09828	4.1
231.11371	4.2
232.13408	1.4
235.08696	1.7
237.10339	2.5
239.08185	1.8
239.11989	1.5
241.09682	2.1
242.10655	9.0
243.10963	1.6
245.04265	3.3
247.10931	2.7
249.10277	1.9
250.07491	2.1
251.08257	3.2
253.09785	4.0
257.12958	45.6
258.13168	4.3
259.10873	5.0
263.08264	2.5
264.08728	1.4
265.09702	4.7
275.13965	6.8
277.09796	3.5
278.06851	2.3
279.07727	2.2
279.11298	1.1
281.09164	1.7
291.07843	1.6
292.08493	1.6
293.09344	16.3
294.09854	2.6
295.10876	12.8
296.11276	3.0
301.11935	1.5
305.09283	4.4
307.10880	6.4
311.10370	1.4
319.12979	100.0
319.98157	1.5
320.13309	12.3
321.08762	2.6
337.08182	1.4
339.09775	1.8
358.15247	1.5
372.17111	2.2
397.14096	6.6
398.14999	3.3
399.15585	1.9
412.16553	4.4
414.14417	2.6
423.16010	1.9
428.15921	2.3
440.16068	13.7
441.16492	1.8
458.17023	1.7
467.51526	1.2
484.15106	13.4
485.15372	2.9
488.18231	2.8
506.19580	7.0
507.19690	1.5
513.28400	1.6
513.35608	1.4
516.17902	10.9
517.17853	2.0
518.19336	9.5
519.19623	2.5
532.21503	8.4
544.17181	5.3
545.17261	1.7
562.18237	36.5
563.18201	7.4
564.19800	5.6
566.20844	2.4
576.19635	3.2
594.20917	27.8
595.21185	7.1
623.24957	1.5
675.28992	2.3
685.25018	4.5
686.25342	1.4
717.30170	5.9
718.30731	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	761.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
60.99303	2.8
61.98809	1.1
65.55663	0.8
71.01365	1.1
72.99313	10.5
76.06439	0.6
88.17733	0.7
88.98814	13.2
89.02453	0.7
96.96012	1.3
101.15929	0.7
107.05048	0.8
109.02963	3.1
110.02509	0.7
119.63196	0.7
120.01743	0.6
121.03040	1.1
122.06052	0.8
123.04557	3.8
132.02167	0.7
133.02954	17.6
134.03560	0.6
135.04526	21.4
149.02420	6.3
150.03244	5.9
161.02448	100.0
162.02788	6.0
174.03249	1.4
177.01859	0.9
179.03517	15.3
180.03833	1.2
197.04535	15.0
198.04950	1.1
249.05627	0.8
267.06635	8.1
268.07083	1.7
283.06244	1.1
311.05637	14.3
312.06122	2.4
313.07303	6.0
314.07449	0.7
337.03152	0.9
345.10953	0.8
359.07736	43.8
360.08139	5.7
401.16956	0.7
447.89584	0.9
491.09763	1.9
521.10974	1.6
641.26556	0.8
671.14154	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	761.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78374	0.4
55.01881	0.6
57.03468	0.6
59.01380	100.0
60.01700	0.9
61.53177	0.4
61.98849	0.6
62.08426	0.4
67.01884	0.8
68.01060	1.0
68.01416	10.3
69.03461	0.5
71.01385	12.7
72.99306	1.2
73.02953	3.8
82.03000	1.2
83.01394	1.4
85.02958	7.5
87.00893	0.6
89.02472	0.7
95.01391	1.2
97.02959	1.6
99.00877	1.6
99.04493	0.5
101.02441	7.3
103.42133	0.4
109.02937	0.7
110.02486	9.4
110.03232	0.7
113.02467	5.2
116.05086	0.9
119.05064	1.5
121.02980	1.2
122.02512	0.5
124.04059	1.4
125.02487	1.4
131.03795	1.1
133.06584	0.7
135.04532	4.0
136.07704	1.1
137.02473	0.5
138.05640	1.0
140.05019	0.5
144.04576	1.9
145.05125	0.6
147.04530	23.3
148.04895	1.6
152.03557	0.5
156.04584	0.5
157.05356	0.7
158.06094	3.6
159.03026	1.2
161.02481	1.0
161.04565	10.2
161.05975	0.5
163.03972	1.0
177.05548	0.6
186.05678	1.3
188.05682	2.7
189.05586	2.6
203.05615	10.6
203.07426	0.8
204.05936	0.5
230.06691	37.9
231.07016	2.4
249.07671	0.8
276.08762	14.2
276.11658	0.7
277.09262	1.3
294.09918	1.8
336.10904	8.2
337.11420	0.9
354.67578	0.5
388.09927	0.5
392.88147	0.5
667.96698	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	761.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
60.99303	2.8
61.98809	1.1
65.55663	0.8
71.01365	1.1
72.99313	10.5
76.06439	0.6
88.17733	0.7
88.98814	13.2
89.02453	0.7
96.96012	1.3
101.15929	0.7
107.05048	0.8
109.02963	3.1
110.02509	0.7
119.63196	0.7
120.01743	0.6
121.03040	1.1
122.06052	0.8
123.04557	3.8
132.02167	0.7
133.02954	17.6
134.03560	0.6
135.04526	21.4
149.02420	6.3
150.03244	5.9
161.02448	100.0
162.02788	6.0
174.03249	1.4
177.01859	0.9
179.03517	15.3
180.03833	1.2
197.04535	15.0
198.04950	1.1
249.05627	0.8
267.06635	8.1
268.07083	1.7
283.06244	1.1
311.05637	14.3
312.06122	2.4
313.07303	6.0
314.07449	0.7
337.03152	0.9
345.10953	0.8
359.07736	43.8
360.08139	5.7
401.16956	0.7
447.89584	0.9
491.09763	1.9
521.10974	1.6
641.26556	0.8
671.14154	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	759.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.91444	1.0
104.25211	0.3
111.66514	0.3
182.37152	0.3
213.28877	0.3
436.16168	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	760.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	36.2
60.01716	0.7
61.98833	100.0
69.57319	3.1
71.01392	4.9
72.99336	0.4
73.02956	1.3
83.01403	1.0
85.02943	3.0
95.01408	0.6
99.00871	0.5
101.02465	2.9
113.02468	1.7
124.63124	0.4
129.09250	0.8
133.08493	0.4
161.02426	0.9
161.04604	0.9
179.03534	0.6
219.33987	0.4
449.36743	0.7
572.60706	0.4
593.40765	4.8
594.40973	1.0
596.47046	0.4
611.41626	9.6
611.50995	0.7
612.42041	2.7
653.42725	6.1
654.43420	1.6
717.78058	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	759.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70026	2.8
59.96577	2.9
61.98830	29.7
102.71664	2.7
112.87875	2.7
116.54441	2.9
116.88919	2.7
130.31798	2.4
133.02963	3.2
150.42215	2.8
209.11819	55.6
210.12035	3.5
226.26637	3.7
227.12805	12.9
229.79330	3.2
235.08206	9.6
253.09311	8.4
277.21710	100.0
278.21991	6.8
372.03949	3.0
377.95236	2.9
448.64151	3.2
759.40442	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	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	82.5
68.40376	6.9
69.45618	21.7
69.46033	42.5
101.57449	7.8
103.70461	8.2
138.88628	8.6
143.08055	6.8
161.03014	7.1
207.10245	52.0
225.11320	19.3
277.21707	11.3
279.23273	100.0
280.23749	11.3
445.71310	8.1
723.43091	23.6
779.15961	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	759.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03463	0.8
59.01382	100.0
60.01722	1.1
63.27705	0.4
64.23283	0.4
69.66809	2.5
69.67222	0.9
71.01388	11.1
71.22647	0.4
72.99310	0.9
73.02945	3.3
83.01396	2.4
85.02956	4.8
87.00914	0.5
89.02457	1.4
95.01393	0.8
98.20586	0.8
99.00872	2.3
101.02451	11.0
109.02979	0.6
113.02460	4.1
114.02825	0.5
121.02970	0.5
125.02439	1.1
135.04553	0.7
152.39113	0.4
159.03059	1.5
161.02518	0.8
161.04562	5.1
162.26576	0.5
193.01460	0.4
195.58006	0.4
197.04677	0.5
203.19347	0.5
209.06148	0.5
211.04097	1.2
225.11374	1.4
227.03473	4.8
228.04221	3.0
228.47466	0.5
235.11880	21.9
236.12209	0.8
238.06514	0.7
239.07185	0.7
240.04286	0.8
241.05170	0.7
243.07388	0.4
249.05832	0.6
255.06532	0.8
267.06735	0.9
277.12930	8.6
283.06241	0.7
305.16064	2.8
311.05600	14.3
312.06076	1.8
312.83691	0.4
372.10342	0.9
403.16214	0.6
437.20190	3.5
464.10986	0.5
731.46600	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	759.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77806	1.4
55.48365	1.7
56.78945	1.4
57.22702	1.3
59.01384	46.6
61.98835	3.8
66.55779	1.7
71.01385	2.5
72.99322	5.6
86.46767	1.8
89.08579	1.4
94.18049	1.5
96.25537	1.4
98.19913	4.2
100.66485	1.9
106.06631	9.4
108.04556	6.0
109.02953	1.7
111.89826	1.4
116.92864	1.4
122.06148	12.2
133.02960	21.9
134.06125	47.1
135.04539	6.8
135.06450	3.6
137.02473	2.3
150.58574	1.8
151.04021	2.5
151.07669	3.5
152.07176	4.3
159.04520	2.2
161.01093	3.1
161.02443	61.7
162.02814	4.0
178.02740	2.0
179.03479	6.1
192.77577	1.5
194.08310	2.7
223.12347	3.3
236.09515	3.1
241.09879	2.6
249.10287	4.7
251.11833	4.4
261.10284	2.5
262.11099	2.9
263.08197	3.4
263.11826	6.6
264.08810	2.3
264.54269	1.5
267.74109	1.7
275.11771	2.3
277.09885	6.1
277.13095	2.3
278.10629	8.3
279.11328	9.5
280.11469	1.8
281.09454	3.1
289.09949	2.9
290.10483	2.1
291.11423	7.1
295.10883	2.0
304.12125	7.2
305.12729	4.2
307.10876	5.2
308.11694	2.5
309.12552	4.0
310.13202	12.3
315.13452	3.2
321.12451	2.4
322.13171	2.7
335.13892	3.6
336.14734	10.9
337.15417	1.9
339.13937	3.0
354.12497	3.6
368.14154	1.9
370.19241	2.3
382.15588	3.3
383.16473	2.1
396.17148	2.0
397.18021	2.7
398.18533	6.6
400.16464	4.5
410.15076	4.4
424.16534	3.5
425.17371	6.9
426.18286	6.3
428.15869	3.6
442.17694	7.0
456.19543	7.5
457.19897	9.5
458.20767	2.3
484.18924	3.4
485.19550	2.4
501.19186	8.7
516.21393	8.5
517.22247	3.9
528.18066	2.0
547.23566	4.4
560.20251	8.4
561.21106	100.0
562.21509	20.6
579.25977	3.2
587.03540	1.9
592.22827	6.5
597.23743	2.3
607.25531	4.9
623.25128	8.5
624.25049	3.3
639.28412	9.6
640.28613	2.9
651.24103	3.4
683.27203	92.8
684.27655	29.1
715.29944	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	759.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26247	2.3
58.08728	2.2
58.75070	2.2
59.01381	60.5
61.98832	15.4
72.99303	7.6
80.05059	6.6
88.98773	6.3
104.05058	3.1
106.06606	14.4
107.03730	4.3
108.04620	2.2
109.02970	3.6
115.01726	2.1
122.06123	35.3
123.04497	3.4
133.02971	5.4
134.05173	4.7
134.06120	58.7
135.04521	10.9
135.06488	3.4
136.07686	2.8
137.02467	3.5
146.06142	3.4
148.04060	3.9
152.07169	9.2
160.04053	2.8
160.06403	3.9
161.02435	17.3
174.05611	3.9
179.03493	6.7
180.06683	5.9
180.56300	2.4
186.05647	4.3
188.07173	10.5
197.04497	3.1
211.08737	5.0
213.10294	11.9
225.10327	8.1
226.10870	3.6
227.11911	7.5
235.08891	3.9
237.10350	5.4
239.08104	2.6
239.11835	20.2
241.13443	7.5
249.06868	3.4
249.10213	4.6
250.07458	3.2
251.08176	6.9
251.11853	5.8
252.08868	2.8
253.09816	6.6
257.13052	4.1
264.09000	3.6
265.09824	12.1
266.05930	2.6
266.10571	4.7
267.06641	3.5
267.11325	7.0
269.04572	3.1
269.99188	2.4
276.02628	2.4
277.09766	11.7
278.07159	5.5
278.10446	7.2
279.07764	10.9
279.11005	5.3
285.12390	25.4
286.12637	4.2
291.07877	5.1
292.08493	5.0
293.09311	25.8
293.12939	7.4
294.09979	12.1
295.10846	26.6
296.11124	3.0
301.11771	5.8
305.09253	8.4
306.09897	4.5
307.10803	15.0
308.11154	2.9
337.08334	15.4
338.08954	5.2
340.14484	2.9
355.13031	4.1
356.13950	2.4
357.14740	3.4
358.15717	11.6
359.16159	2.6
361.67410	2.8
367.13013	4.0
370.15707	3.7
372.16858	4.0
384.13284	5.3
385.13861	4.5
386.15100	4.4
398.14935	3.5
400.16672	12.0
401.17328	4.4
412.16846	6.7
413.17404	2.8
441.16858	6.9
442.17636	16.1
444.15460	3.2
445.16193	4.5
456.19534	4.4
458.17102	2.9
460.18710	8.1
474.20575	6.7
486.16882	7.9
487.34045	3.9
500.18015	6.2
501.19171	4.1
502.19775	9.0
516.21490	10.5
517.21814	2.9
520.20880	10.2
532.20996	7.5
539.26379	4.1
546.18677	16.0
547.23383	10.9
548.24060	4.3
557.83484	2.6
560.20361	35.2
561.20837	6.6
563.27130	2.8
565.24432	7.3
578.21210	19.6
591.22327	12.2
592.22961	52.6
593.23126	10.4
607.25500	24.7
608.25934	6.9
623.24963	8.0
624.25568	3.3
639.28284	16.7
640.28491	5.0
651.24689	25.1
652.24969	8.1
658.43799	2.8
673.28778	3.4
683.27209	68.3
684.27795	19.2
715.29858	100.0
716.30243	33.8
717.65503	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	759.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97070	1.0
59.01382	39.0
70.79136	1.5
70.79462	1.4
71.93925	0.9
72.99332	1.3
80.05048	3.1
82.93652	0.9
87.00876	1.0
97.37411	1.0
104.05036	0.9
106.06635	5.0
107.03786	2.5
108.04559	2.3
120.04536	1.5
120.54755	0.9
122.06119	19.8
127.57812	1.0
130.06577	2.0
132.04625	1.0
133.02962	3.2
134.06120	36.6
135.04500	2.0
135.06477	1.8
136.07690	1.7
146.06108	2.1
150.09210	1.0
152.07159	4.4
157.31255	0.9
159.06795	1.1
160.04010	1.8
160.06381	1.7
161.02438	8.8
174.05492	1.6
179.03455	2.0
180.06667	2.1
183.80380	0.9
186.05603	1.5
188.07181	5.1
190.05190	1.1
194.08238	2.5
195.35680	1.1
211.08774	1.9
213.10318	9.5
214.10860	1.0
223.08739	2.1
224.09460	1.1
225.10306	5.7
226.10947	1.7
227.11894	4.2
235.08714	2.4
237.10201	4.8
238.10843	1.4
239.11932	6.3
241.13547	5.3
249.06422	1.3
249.10283	4.4
250.07465	6.0
250.11047	1.0
251.08311	5.7
251.11856	3.0
252.08939	2.3
253.09860	4.8
263.08246	4.4
264.09015	1.8
265.06873	1.7
265.09756	13.6
266.10397	2.8
267.11282	4.0
277.07071	0.9
277.09891	8.1
278.06946	14.1
278.10489	4.9
279.07706	14.2
279.11298	5.1
280.08044	1.8
285.12442	14.5
286.12683	1.4
287.13901	1.4
291.07712	5.7
291.11026	1.9
292.08423	3.5
292.11700	1.4
293.09348	47.7
293.12823	4.1
294.09988	13.8
295.10782	11.1
296.11179	1.7
305.09250	6.9
306.10046	7.2
307.10843	12.6
307.48526	0.9
308.11310	1.3
309.12415	2.9
319.11044	1.6
321.08710	1.8
321.12341	2.5
337.08292	24.8
337.11688	1.0
338.08807	6.4
339.09521	1.1
351.09909	1.5
354.12241	1.7
355.13177	1.8
356.13919	2.6
357.14883	1.0
358.15604	3.3
365.11520	2.3
366.11890	1.3
370.15680	1.4
372.17148	1.8
384.13416	2.9
385.13901	2.4
397.14081	1.3
398.15009	4.2
399.15747	2.4
400.16617	7.3
412.16599	3.2
413.17941	4.6
414.18057	3.2
424.16812	1.2
426.14456	6.3
427.14963	1.3
440.16208	2.8
441.16815	6.8
442.17651	6.1
444.15543	2.6
445.15976	1.7
456.19260	7.6
458.17542	1.7
460.18582	2.0
468.15488	1.7
473.20120	1.5
474.20483	1.7
475.13687	1.3
485.16141	2.6
486.16730	4.9
487.16959	1.6
490.16721	1.3
500.18237	3.8
501.19092	5.8
502.19485	3.9
504.17911	1.5
516.21289	13.2
517.21295	3.2
532.20917	3.5
545.18042	7.4
546.18744	14.9
547.23865	3.2
560.20361	81.8
561.20685	17.9
565.24207	1.8
577.20404	6.2
578.21155	4.8
579.25201	1.4
591.22113	3.7
592.22986	100.0
593.23395	25.5
596.26086	1.1
607.25684	15.0
608.25739	4.9
623.25336	2.3
624.24854	1.7
639.28149	15.6
640.28394	4.2
651.24512	9.3
652.25140	3.1
683.27185	53.3
684.27478	18.3
715.29889	9.9
716.29584	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	759.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.5
69.29351	5.1
69.29780	4.6
80.05043	5.3
94.06615	1.0
98.20623	2.4
104.05082	1.4
105.78761	1.0
106.06618	8.5
107.03778	1.6
120.04552	1.9
121.05306	1.4
122.05292	1.5
122.06122	20.5
123.06454	1.3
130.06622	1.8
132.04535	1.2
134.06122	36.2
135.04498	1.2
135.06436	1.8
136.07736	1.1
144.42897	0.8
146.06117	2.1
148.03955	1.2
152.07150	4.5
158.06071	1.1
160.04079	2.3
160.06419	1.5
174.05576	3.1
180.06654	2.3
186.05537	1.5
188.07220	7.6
190.05110	1.5
194.08208	2.1
199.12383	1.0
211.08701	2.3
213.10350	10.6
214.10641	0.9
219.22896	0.9
224.09421	1.6
225.10359	5.1
226.11136	1.4
227.11888	5.8
235.08684	1.7
237.10338	3.3
239.11951	10.8
241.13474	7.6
249.06651	1.0
249.10350	3.7
250.07411	3.1
251.08116	4.2
251.11865	3.7
252.08917	1.2
253.09731	3.5
253.13527	1.4
262.07455	1.0
263.08307	2.6
263.11899	1.3
264.08902	1.2
265.09824	7.4
266.10587	2.7
267.11368	5.1
277.09772	9.3
278.06949	6.4
278.10468	4.4
279.07721	7.8
279.11343	4.1
281.09369	2.3
285.12473	20.1
286.12790	2.4
287.14087	1.1
291.07736	2.0
292.08475	1.8
293.09320	21.3
293.12891	4.8
294.10062	8.0
294.12915	1.7
295.10892	14.8
296.11130	2.1
305.09335	7.9
306.10016	3.9
307.10791	11.7
308.11447	1.3
309.08667	3.7
309.12140	2.3
316.14444	1.5
319.10794	1.8
320.08142	1.0
321.08841	2.2
321.12146	2.1
337.08276	12.1
338.08817	2.6
339.09833	1.7
340.10406	1.0
340.14447	1.3
351.10236	1.4
353.07840	1.2
355.13129	2.9
356.14014	1.5
358.15536	3.9
365.11572	4.1
366.12280	1.2
370.15756	1.9
372.17136	2.2
374.18628	2.1
382.15640	1.8
384.13406	3.8
385.10187	1.9
385.14459	1.7
386.14655	1.1
397.14081	1.3
398.14813	2.4
399.15872	3.1
400.16791	10.0
401.16989	2.9
410.15219	1.1
412.16577	3.5
413.17426	3.3
414.18091	2.9
426.14633	3.8
427.15292	1.2
440.16281	1.9
441.16711	4.5
442.17737	10.0
443.18127	2.2
444.15576	1.8
456.19513	4.5
458.16855	1.5
468.15598	3.3
474.20120	1.2
485.15930	1.3
486.16434	7.3
500.18564	2.2
501.19058	2.8
502.19998	4.3
516.21613	8.2
517.21808	1.4
518.19336	2.2
519.33331	1.1
523.23151	1.2
532.21198	2.1
545.17957	3.4
546.18793	16.2
547.23383	5.2
548.23169	1.2
560.20276	24.6
561.20520	6.0
565.24347	5.0
578.21466	4.7
579.26398	1.5
591.22467	3.5
592.23047	16.5
593.22968	4.1
607.25519	25.7
608.26001	7.5
623.25098	5.0
639.28168	27.3
640.28717	6.9
651.24579	10.0
652.24438	3.5
673.29456	1.1
683.27203	100.0
684.27576	26.6
715.29803	17.4
716.30011	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	759.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07629	0.6
59.01381	40.2
70.81881	1.3
80.05059	3.5
80.74411	0.6
84.76063	0.7
96.95965	0.6
98.29175	0.8
104.05064	1.9
106.06621	10.4
107.03781	2.3
108.04539	2.1
120.04533	0.8
120.08154	1.0
122.06124	21.3
130.06602	1.6
132.04565	1.4
134.06125	41.2
135.06444	1.5
136.07651	1.3
142.06630	0.6
146.06105	2.1
152.07155	5.0
158.06038	1.0
160.04063	3.6
160.06422	2.8
160.07631	0.8
161.02403	1.2
161.04803	1.0
174.05621	3.4
180.06635	2.6
186.05547	2.0
187.06335	1.1
188.07187	6.8
190.05003	0.9
194.08220	2.3
198.12794	0.7
211.08748	2.7
213.10342	11.6
214.10567	0.9
223.08653	1.9
224.09431	1.0
225.10312	6.6
226.10976	2.8
227.11870	4.3
233.07274	0.8
235.08755	2.0
237.10303	3.8
237.62630	0.6
238.07474	0.7
238.10872	1.3
239.11885	11.0
240.12231	0.7
241.13481	8.0
242.13742	1.0
247.08640	1.0
248.09395	0.8
249.06523	1.2
249.10393	3.4
250.07431	4.2
250.10962	1.0
251.08229	3.8
251.11879	4.5
252.08932	2.2
253.09767	4.7
253.13493	0.7
262.07349	1.1
263.08206	2.6
263.11942	0.9
264.08960	2.5
265.06418	1.1
265.09814	8.9
266.10385	2.5
267.11334	4.7
275.08508	1.1
275.11786	0.9
276.09119	0.8
277.09750	8.1
278.06918	6.7
278.10464	4.3
279.07697	7.0
279.11307	4.6
280.08090	1.3
285.12436	21.8
286.12781	2.5
287.14020	1.4
289.09842	1.1
291.07642	3.4
291.10898	1.2
292.08408	2.2
293.09286	25.8
293.12869	5.5
294.09988	8.6
295.10837	13.2
296.11044	1.0
305.09277	5.7
306.09998	5.5
307.10843	10.5
308.11285	1.4
309.12436	2.7
316.14539	0.8
319.10822	1.1
320.07776	0.8
321.08786	1.8
321.12427	1.6
328.10910	1.6
332.17389	1.1
333.08939	0.8
337.08307	12.2
337.11874	1.0
338.08682	3.4
339.09769	2.2
340.14362	1.5
342.12469	1.4
343.13278	2.2
344.13950	0.8
344.18018	0.7
351.09821	1.9
353.11362	1.1
355.13065	3.4
356.13916	1.9
356.17966	1.0
357.14926	1.5
358.15527	6.5
365.11383	3.8
366.11963	1.3
367.12881	1.6
370.11450	0.8
370.15503	2.7
371.16345	0.9
372.17105	1.1
384.13345	2.8
384.17416	1.5
385.13678	1.2
386.14722	0.8
396.17215	0.9
397.14154	1.6
398.14581	3.4
399.15762	2.1
400.16602	10.5
401.17270	1.5
410.14792	1.0
412.11960	1.1
412.17178	3.8
413.17371	2.8
414.18048	2.4
415.18417	0.7
424.16626	1.1
426.14258	4.3
427.14578	1.1
440.16089	2.3
441.17075	4.1
442.17767	8.5
444.15576	1.6
445.16092	1.6
456.19275	5.4
457.19867	0.9
458.17230	2.4
460.18491	2.0
468.15689	2.9
472.15176	1.0
473.19867	1.3
474.20340	2.5
479.24777	0.8
485.15567	1.4
486.16797	7.1
487.16791	1.1
488.21970	1.0
491.20456	0.7
500.18246	2.9
501.18982	2.6
502.19678	4.5
503.19962	1.2
505.22891	1.4
506.22952	0.7
516.21362	11.5
517.21637	2.4
528.17926	0.8
532.21014	1.4
545.17981	3.7
546.18726	18.2
547.24408	8.1
548.23907	1.6
560.20361	35.3
561.20825	7.0
565.24805	4.3
577.19940	1.2
578.21313	3.4
579.25922	2.0
580.26758	0.8
591.22253	5.0
592.22998	39.1
593.23285	8.7
607.25629	26.8
608.25995	7.1
623.24927	5.2
624.25610	1.2
639.28174	29.4
640.28534	8.6
641.25946	0.9
651.24542	15.4
652.24573	5.1
683.27173	100.0
684.27448	30.5
715.29791	18.9
716.29968	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	759.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.76184	1.4
69.96670	8.4
71.01379	31.6
72.99306	1.7
73.02950	44.2
83.01385	9.4
85.02954	4.8
89.02441	9.1
101.01770	2.3
101.02445	45.2
113.02481	15.3
119.03483	7.4
125.02428	2.0
131.03493	4.5
143.03503	5.0
143.99020	1.6
149.04543	10.4
161.04546	19.4
203.05635	2.8
207.10153	4.2
213.53621	1.4
221.06645	15.1
327.10913	20.5
341.38626	1.6
387.16605	70.7
388.17053	8.3
428.89386	1.5
465.06476	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	759.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	61.6
61.94372	2.8
80.05033	5.2
89.93807	2.4
100.89511	2.9
106.06617	18.3
108.04533	3.2
112.43533	3.0
112.91190	2.5
122.06135	41.0
132.04626	2.5
134.06133	68.2
135.06450	5.2
136.07646	3.0
146.06099	5.0
152.07233	7.2
160.04118	2.8
161.02467	5.3
161.14795	2.5
174.05559	4.0
180.06717	4.8
188.07161	8.5
190.05156	3.1
194.08209	5.1
211.08775	4.3
213.10295	17.0
223.08652	4.1
225.10349	9.0
226.11206	3.1
227.11890	6.8
237.10291	4.8
238.10864	4.2
239.11858	23.3
241.13451	7.3
249.10226	5.1
251.08209	4.2
251.11909	5.6
253.09830	6.8
261.43600	2.7
263.08469	3.2
263.11813	3.0
264.08954	3.6
265.06265	3.3
265.09793	11.0
265.46280	2.6
266.10559	5.4
267.11307	7.5
277.09796	11.0
278.06967	9.9
278.10519	8.4
279.07724	8.5
279.11261	7.1
285.12421	34.6
291.07791	5.0
292.08490	5.2
293.09357	41.2
293.12628	5.0
294.10107	11.9
295.08078	3.5
295.10916	28.4
305.09274	9.7
306.09900	7.5
307.10849	17.5
309.12405	5.7
328.10956	3.2
337.08209	16.2
337.11777	4.5
338.08664	6.4
342.12158	3.9
351.09982	3.0
356.14081	5.9
358.15469	13.4
365.11414	4.1
370.11649	3.9
370.15741	5.4
372.17194	3.8
384.13156	5.8
385.14160	7.5
386.14905	4.0
387.15689	3.0
398.14890	5.9
399.16144	5.2
400.16595	14.3
401.17181	6.1
412.16678	10.2
413.17203	4.6
414.18256	5.0
424.16919	3.8
426.14459	6.3
440.15979	3.6
441.16818	6.2
442.17764	13.4
443.18164	3.8
445.16360	5.9
456.19214	8.3
458.17352	3.7
460.18680	6.6
474.20279	10.9
486.16476	8.3
501.18777	5.4
502.19897	3.6
516.21442	11.5
520.20898	7.4
532.21027	5.3
545.18085	7.3
546.18878	16.5
547.23468	11.4
548.24005	5.3
560.20300	39.0
561.20734	7.8
565.24597	8.0
566.24475	4.4
577.20605	3.0
578.21576	11.3
591.22644	6.6
592.23035	65.9
593.23254	14.0
607.25598	35.1
608.25983	7.8
623.25354	14.4
624.25952	4.3
639.28320	17.4
640.28534	4.2
651.24548	35.8
652.24823	6.3
655.27185	3.6
683.27216	79.1
684.27606	21.1
715.29834	100.0
716.30170	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	759.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79760	0.7
59.01381	47.5
69.75717	1.7
69.76136	3.1
71.01386	2.2
81.03459	3.6
83.01382	0.9
83.05048	4.0
85.02947	1.1
94.49963	0.7
95.05025	6.6
98.20580	1.8
101.02451	3.4
108.02209	1.3
109.02956	35.3
109.06587	8.3
110.03273	0.8
111.04515	4.6
113.02443	1.5
113.94002	0.8
118.50700	0.7
119.05129	0.8
123.04514	2.0
123.08180	1.6
127.00401	1.7
131.05043	1.0
133.02934	2.0
135.04506	3.5
135.08127	6.6
141.05573	6.4
147.04500	3.1
151.03990	0.9
151.11227	1.1
157.01361	0.9
159.04538	9.4
159.08128	0.8
161.02437	1.3
167.77228	0.7
175.04005	2.4
175.11299	2.2
177.09225	16.5
178.09607	1.3
179.07144	1.3
182.82390	1.0
195.10245	27.3
196.10596	2.3
203.03514	4.3
203.07173	1.1
219.10263	3.5
220.48055	0.9
221.08153	4.0
225.11311	2.7
239.09244	100.0
240.09616	7.2
254.05959	1.2
255.06638	1.1
260.74387	0.8
263.09195	5.8
269.08182	8.6
270.08484	0.8
281.10263	2.8
311.11414	6.8
313.07065	4.3
341.12372	30.2
342.12811	3.9
357.06113	12.3
358.06357	1.2
383.13440	3.2
401.14529	45.5
402.14896	6.0
432.39310	0.9
552.83667	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	759.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.7
62.61206	0.7
70.45280	2.4
71.01365	2.9
73.02946	7.0
81.03436	1.7
85.02940	3.0
91.14452	0.7
93.03437	1.3
95.01366	1.4
95.05002	2.0
99.00839	1.1
101.02425	2.2
103.03985	2.2
108.02173	38.0
109.02957	63.3
109.06573	1.5
110.03271	2.4
111.04500	1.4
113.02406	1.6
119.05003	1.0
121.02937	1.9
123.00874	1.5
123.04504	2.1
123.80373	0.7
131.05006	0.9
131.86943	0.7
133.02972	3.3
135.04486	3.2
135.08102	1.3
141.05525	2.1
145.02879	0.9
146.03790	0.9
147.04469	2.3
151.04001	1.5
152.01149	45.8
153.01949	19.0
159.04518	8.4
160.04773	0.9
161.02405	1.9
161.04483	0.9
163.04002	1.5
165.01907	0.9
170.76906	0.7
173.02397	0.7
174.03113	0.7
175.03964	2.5
175.11247	0.7
176.38356	0.7
177.05479	0.8
177.09204	3.8
179.03485	0.8
180.79474	0.8
195.10262	6.9
197.04446	1.1
203.03473	5.6
206.32721	0.7
219.10226	0.8
239.09232	26.6
240.09485	1.7
253.05022	0.9
254.05727	1.4
255.06606	0.8
263.09070	2.3
267.06564	1.4
269.08142	11.1
270.08627	1.5
281.10303	1.0
283.05972	1.4
311.05453	3.2
311.11435	1.0
312.05948	1.1
313.07193	5.5
315.07245	0.8
341.12314	4.4
357.01663	1.3
357.06143	19.7
358.06732	1.5
371.09747	1.8
383.09561	2.9
401.10715	100.0
402.11099	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	758.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96371	0.1
58.52803	0.1
61.98832	100.0
62.98527	0.2
78.98637	0.1
138.41010	0.1
152.00414	0.1
229.49854	0.2
261.72305	0.1
274.20093	0.1
632.94067	0.1
642.82379	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	758.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98832	100.0
71.01395	0.6
78.95933	0.4
80.56171	0.2
88.98788	0.2
116.92828	0.3
133.02957	0.3
135.04556	0.4
149.02460	0.2
161.02461	0.7
171.04388	0.2
172.10544	0.2
179.03459	0.2
195.19182	0.2
277.21851	0.4
278.22311	0.4
518.46887	0.2
733.47809	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	758.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91171	0.4
61.98832	100.0
70.08547	1.6
74.39697	0.4
78.95909	0.5
116.92818	0.5
123.02966	0.5
226.89049	0.5
277.21783	0.7
315.18851	0.4
634.57245	0.5
694.40466	0.5
703.83875	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	759.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.5
61.98812	1.1
64.16564	0.8
70.21303	2.8
86.89129	0.7
90.97122	1.2
91.11504	0.7
96.00452	0.8
115.02512	1.7
117.00399	1.9
132.98189	2.5
157.00063	1.0
157.03615	1.0
159.01486	24.2
160.01608	2.8
161.09052	0.8
174.99252	20.5
201.02548	14.6
202.02701	2.1
205.35529	0.8
217.00299	100.0
218.00636	3.5
246.00352	0.8
274.99280	1.6
288.83337	1.2
290.97061	1.2
301.02713	10.8
302.02881	1.4
317.00430	19.2
318.00522	2.1
330.84219	2.5
332.98264	4.9
359.01520	6.3
374.99231	13.8
375.99628	1.5
429.27252	0.8
459.01614	3.5
472.85263	1.3
474.85242	1.0
474.99426	6.6
485.96350	1.0
517.00348	2.3
541.00568	2.7
556.98340	15.5
557.98499	3.1
616.86566	3.1
617.00378	1.9
678.16138	1.0
699.01581	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	758.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56008	1.1
59.01384	7.4
61.98835	5.7
70.43851	1.2
71.01363	1.5
71.39747	2.1
72.99303	11.7
79.95745	2.0
80.05068	2.8
94.06628	3.9
96.96010	45.3
98.95602	2.7
101.02441	1.4
106.06614	5.7
107.03768	4.1
109.02970	6.0
116.92846	1.5
121.02935	1.5
122.06120	21.2
123.04549	6.9
124.07644	1.3
132.04604	2.6
132.08173	1.8
133.02956	4.3
134.03734	3.0
134.06129	13.2
134.09721	1.1
135.04526	29.9
136.04842	1.9
137.02504	1.6
139.02754	2.2
145.02991	1.7
147.04526	2.4
152.07166	41.2
152.08392	2.4
153.07492	2.4
159.04509	2.5
161.02435	11.7
162.02841	2.2
163.04039	1.4
174.05518	1.4
175.04025	1.4
179.03522	9.0
180.04048	1.2
197.04541	4.0
222.07715	3.8
223.12276	1.4
229.01447	2.1
230.01833	1.5
236.09410	1.6
245.13081	1.5
249.10284	3.8
251.11836	7.5
253.04820	1.5
263.08218	2.7
263.11804	2.3
265.13345	1.9
267.06735	1.6
269.04544	1.6
275.08218	1.3
275.11969	2.5
277.09744	5.9
277.13385	3.9
285.04218	6.4
289.09796	3.1
290.10422	2.4
291.07880	2.2
291.11307	4.9
293.09473	1.8
293.12955	6.8
295.06161	2.1
295.10861	2.3
303.11243	1.7
305.12930	7.5
311.05670	1.4
319.10858	11.1
320.11008	1.9
321.08673	1.6
331.10803	2.2
335.10352	1.9
337.11954	7.5
338.12164	1.4
339.05206	8.6
340.05310	6.2
349.11908	4.9
350.12479	1.3
363.09753	2.5
381.10770	4.1
393.10956	1.9
435.07056	1.5
440.19534	1.4
447.09464	6.1
456.18481	1.5
458.21127	1.6
474.20258	3.0
482.17270	2.8
484.18649	6.6
500.18112	4.2
502.19736	4.1
502.28061	1.1
510.16840	2.9
518.19550	5.7
528.17700	14.9
529.17969	3.2
546.18811	42.8
547.19330	7.4
560.20654	6.9
561.20630	2.0
571.10608	2.6
578.21533	3.9
676.26984	1.2
708.20471	1.4
726.23029	100.0
727.23297	30.6
758.25586	4.3
759.26178	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	757.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
55.17678	0.6
57.03445	1.3
58.00598	4.9
59.01381	100.0
60.01731	1.0
61.98837	0.7
68.29016	0.6
69.55331	4.6
71.01383	66.5
72.01740	1.4
72.99306	5.4
73.02956	1.6
75.00868	1.7
83.01389	1.7
85.02954	10.2
87.00880	4.7
89.02446	84.2
90.02800	1.2
92.33357	0.6
95.01383	5.2
99.12766	0.6
101.02448	30.9
113.02458	28.0
114.02763	1.3
119.03504	32.3
120.03822	0.8
125.02444	1.1
131.03508	4.7
133.03004	1.0
135.04498	2.5
143.02542	0.8
143.03526	9.0
149.04535	2.7
161.02466	0.9
161.04575	11.8
168.04846	0.6
179.05612	53.8
180.06003	1.5
229.01282	0.8
392.37250	0.6
405.26318	1.2
437.30228	1.4
469.29218	0.9
487.30783	0.9
505.31143	1.9
517.31720	10.8
518.31537	2.0
535.32941	4.7
536.32123	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	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.7
60.96296	0.5
61.98831	100.0
63.99279	0.7
68.99557	0.5
71.01384	26.6
71.31267	0.6
71.31642	0.6
72.01714	0.5
73.02945	0.5
78.95925	1.2
83.05030	0.7
89.02439	0.6
99.00961	0.4
101.02459	1.1
109.06609	1.3
112.98563	1.0
113.02490	0.8
114.93436	3.8
115.00374	1.3
116.92842	0.8
127.11290	0.8
149.90265	0.4
152.99619	0.6
161.04626	0.7
163.11337	0.9
171.10263	22.5
172.10577	1.1
183.01222	0.5
185.11844	0.5
199.09775	2.7
201.11319	2.7
201.34908	0.4
207.10274	3.3
209.11795	2.5
210.12189	1.7
211.12349	0.6
218.78622	0.5
225.11331	2.0
227.89014	0.4
235.08267	1.3
249.18634	1.3
250.18925	0.8
253.09372	2.6
254.09492	0.5
277.21707	25.2
278.22061	2.9
311.16843	1.2
327.70251	0.6
461.20593	0.8
715.61572	0.6
721.42554	0.7
757.43042	3.1
758.44495	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	757.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01380	25.8
59.29201	0.7
61.98826	7.1
71.01380	9.1
72.99306	2.0
73.02937	2.5
74.99947	0.7
78.84229	0.6
78.95941	0.8
83.01388	0.9
83.05006	0.7
85.02951	3.4
87.00858	0.9
89.02454	1.8
93.03448	0.8
96.96034	0.7
97.02937	0.7
98.19799	1.1
99.00836	0.9
99.04530	1.4
101.02465	4.5
101.06058	1.3
109.02990	1.4
111.04507	1.0
113.02480	4.2
119.05100	0.7
121.03008	0.7
123.04515	1.1
125.02457	0.8
133.02974	2.2
134.03766	0.8
134.06056	1.6
135.04553	4.6
135.08098	0.9
136.05339	1.0
137.06108	1.7
141.09233	0.8
149.02451	1.3
149.09743	0.9
150.06827	1.4
151.07631	2.0
161.02464	6.5
161.04590	1.0
161.06024	0.7
162.06863	100.0
163.07404	8.1
175.07608	0.8
176.08412	2.0
176.66296	0.6
177.09209	58.0
178.09518	4.1
179.03514	2.1
180.46657	0.7
180.82254	0.7
187.13419	1.0
191.07190	1.1
197.04549	1.3
230.02138	0.7
241.09956	1.0
257.12906	2.5
267.06680	1.4
301.11966	2.6
311.05728	1.0
315.13663	0.8
331.24649	3.1
339.29855	0.7
426.32104	0.7
473.32660	2.3
475.29144	36.0
476.29501	5.5
489.30841	0.9
493.30008	6.1
494.30539	1.0
503.33713	2.5
504.34082	1.5
505.34131	0.9
535.31268	9.3
536.31958	1.9
611.37592	2.6
617.37061	2.8
635.38135	4.1
649.22565	1.2
653.39148	4.2
654.39819	0.9
671.40558	2.6
672.39972	0.8
677.38770	2.2
695.40381	1.8
713.41107	5.9
714.42688	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	757.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
57.03447	1.1
58.00591	4.9
59.01383	100.0
60.01717	1.4
69.75036	0.9
69.80148	3.4
71.01385	65.6
72.01715	0.9
72.53237	0.7
72.99311	5.7
73.02958	1.5
83.01402	1.4
85.02957	10.0
87.00876	4.0
89.02449	90.4
90.02796	1.1
93.03446	2.4
95.01392	4.9
98.19860	1.5
101.02446	31.6
113.02460	27.7
116.37092	0.8
119.03508	31.5
121.02943	2.5
131.03517	5.0
135.04529	1.9
137.02431	3.6
143.03535	9.8
147.58891	0.8
149.04556	4.1
156.37936	0.8
161.04544	11.6
179.05612	52.6
180.05974	2.2
199.09724	1.6
216.50966	0.9
238.76556	0.9
241.10728	1.1
249.47324	1.0
327.08557	0.9
405.26715	1.2
437.30399	0.9
487.30737	1.2
505.31616	1.9
517.31708	9.1
518.31921	2.8
535.32849	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	757.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
56.62144	0.4
57.03452	1.0
59.01383	100.0
60.01706	1.6
63.92882	0.4
69.70378	2.3
71.01388	13.5
72.99308	0.8
73.02957	3.4
75.00868	0.7
76.28144	0.5
83.01402	1.4
85.02949	4.5
87.00906	1.1
89.02448	7.4
93.03465	0.6
95.01413	1.0
99.00890	1.4
101.02449	10.8
109.02962	0.5
113.02444	6.7
119.03532	3.3
135.04590	1.7
137.02429	1.4
138.01953	0.5
143.03499	0.9
151.04021	0.5
153.09244	1.1
161.02475	1.2
161.04561	5.7
161.09695	0.6
177.12820	0.7
179.03645	1.3
179.05573	2.7
210.27318	0.5
221.11884	1.6
239.19807	0.5
265.86218	0.4
269.07559	0.6
269.10281	10.3
269.12979	0.7
270.10712	0.8
311.07956	0.5
311.11365	6.4
312.11798	0.7
326.44067	0.5
377.06784	0.6
377.70370	0.4
397.03348	0.8
401.18161	5.7
402.18396	0.8
405.06140	0.8
476.62955	0.5
535.32782	0.6
595.21234	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	757.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.98827	2.3
63.02399	3.4
65.00325	1.4
71.01362	0.7
98.20702	0.7
101.02428	0.5
101.03957	0.4
106.06618	0.5
107.01379	1.1
119.05046	0.8
121.02901	0.8
129.48128	0.3
133.02960	0.7
134.06120	1.7
135.04510	1.0
137.02513	0.3
143.04997	2.5
145.02943	1.1
151.00383	0.6
155.04947	0.6
161.02490	1.6
165.07065	0.5
167.04988	0.5
173.98361	0.3
179.03505	0.4
180.05838	0.6
181.06541	0.5
185.06000	0.7
191.03419	0.4
197.06099	0.4
209.06163	1.8
211.03909	0.7
225.05487	0.4
253.05057	100.0
254.05382	8.2
465.32263	0.6
485.99744	0.3
503.33713	2.1
504.34186	1.6
505.34662	0.9
577.24792	0.6
637.26416	0.6
659.86810	0.4
674.90143	0.4
681.25140	2.7
682.25812	1.0
713.42133	0.4
757.39276	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	757.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01382	10.6
67.01894	0.9
68.99809	1.8
69.03459	0.8
71.01385	8.9
72.99306	2.7
73.02974	0.9
75.00875	11.1
81.03456	0.7
83.01395	0.9
85.02950	10.5
85.44134	0.4
86.00113	0.6
86.66194	0.5
87.00863	3.0
89.02429	2.0
91.25204	0.5
93.03472	1.1
95.01377	3.5
98.19801	0.6
99.00871	5.3
100.61348	0.4
101.02442	0.7
102.58283	0.4
103.00381	1.4
109.02967	0.5
111.00880	1.0
111.55877	0.4
113.02438	11.8
113.26614	0.4
115.00384	1.2
117.01945	1.8
121.02956	51.6
122.03284	2.2
129.01930	1.1
137.02492	0.5
139.00313	0.4
175.02492	1.9
176.20300	0.4
227.03441	0.9
231.05080	3.5
249.06146	33.6
250.06493	1.8
267.06671	0.9
311.05408	0.9
327.08676	0.9
353.08920	0.9
371.09814	100.0
372.10226	11.4
577.99310	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	757.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.1
68.29430	0.4
69.36860	3.7
71.01401	0.4
93.46003	0.4
98.06663	0.4
102.49146	0.4
106.06622	0.9
121.02956	0.6
122.06117	0.8
125.83692	0.4
132.04486	1.0
133.02977	0.5
134.06123	6.1
135.06425	0.5
144.04555	0.5
149.47742	0.4
152.07092	0.5
156.42125	0.5
158.06163	0.4
159.05591	0.5
160.06369	0.5
161.02444	0.5
176.03404	0.4
179.03465	0.5
190.05051	1.5
198.09274	3.2
212.05867	0.7
212.10849	0.5
213.10368	0.6
223.08688	0.6
226.07430	1.3
228.08986	4.1
235.08711	0.6
239.11850	10.1
240.12268	1.1
241.09811	74.0
242.10150	6.4
243.11330	1.2
249.10220	0.5
250.44777	0.4
251.11949	0.6
255.11359	0.9
256.12152	39.5
257.12436	3.7
279.11484	1.0
281.09573	0.4
285.12445	1.0
300.11166	10.2
301.11575	0.9
305.09525	0.5
315.13489	100.0
316.13791	11.5
323.10336	1.0
337.11774	2.3
338.12500	0.8
341.11264	0.4
367.77603	0.5
370.15598	0.7
383.12451	1.9
397.14008	6.7
398.14908	4.4
410.14798	1.7
411.15442	0.5
430.13385	0.6
503.20709	0.5
517.22382	0.7
529.18750	0.6
545.22089	2.2
546.21753	0.6
563.22583	0.5
577.24255	1.2
582.08752	0.4
589.20703	1.0
605.23914	6.8
606.24670	1.4
637.25964	2.1
638.27112	0.7
649.22955	7.4
650.23413	2.3
681.25385	3.3
682.25848	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	757.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	70.6
61.98834	10.4
65.59116	1.8
67.98824	1.8
71.01376	6.5
71.65755	2.1
72.99316	4.0
83.01379	2.2
85.02948	4.9
89.02462	2.2
96.96015	3.1
98.70740	2.0
101.02451	3.0
103.00372	2.2
106.06618	10.1
108.02200	3.9
109.02952	3.3
113.02454	4.2
121.02937	2.6
122.06094	13.5
123.04539	3.4
133.02966	4.8
134.06120	39.2
135.04553	11.8
135.06378	2.3
136.63412	2.1
139.07660	2.2
145.02930	2.2
151.07626	5.5
152.07155	6.8
161.02469	14.5
162.06859	5.9
163.07643	5.8
177.09140	5.3
179.03491	5.4
186.05458	3.0
194.08244	4.5
224.43883	1.9
225.10242	2.8
237.10362	3.8
241.09755	10.6
249.06665	2.0
249.10403	4.1
250.07443	3.6
254.06918	2.6
256.12073	6.9
263.08218	7.0
264.09238	3.1
265.09790	18.4
266.10278	2.8
276.09012	3.7
277.09906	12.4
278.07092	11.4
278.09793	3.2
279.07382	2.4
290.06845	2.5
291.07724	7.7
291.11353	5.5
293.09332	71.0
294.09552	5.8
305.09326	24.8
306.09763	6.2
315.13577	14.1
319.07306	2.3
319.10861	5.7
337.08249	4.8
368.13913	3.2
370.15842	3.3
382.11792	3.2
396.13376	4.4
398.15131	8.9
401.00354	2.1
410.15234	4.1
412.16617	10.9
425.13580	2.8
430.17618	4.1
439.15063	2.5
440.16058	18.4
441.16492	2.7
472.18414	2.8
484.14981	4.7
486.20361	3.6
500.18451	15.2
501.17987	3.1
514.19806	7.0
526.16382	4.2
532.20850	7.5
533.21118	2.7
544.17230	100.0
545.17114	19.4
546.22363	3.0
558.18976	2.6
559.19409	39.5
560.19971	8.6
576.19849	39.3
577.19464	4.8
590.21136	5.9
591.22156	9.4
605.23779	10.4
615.38989	8.0
633.41028	2.4
637.26398	6.4
649.22986	9.0
650.23267	6.4
653.40973	4.5
669.29767	2.8
681.25629	57.7
682.26062	17.5
713.28265	13.1
713.40155	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	757.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	52.7
60.01687	0.9
67.44395	0.9
72.84102	0.9
94.06608	1.2
103.00371	2.4
106.06637	7.7
107.03813	1.9
122.06136	12.2
134.06122	44.0
135.06467	1.7
152.07178	4.8
161.02483	1.5
163.14133	1.0
168.21394	1.0
186.05592	3.4
194.08249	4.8
225.10406	3.5
235.08737	3.4
237.10324	4.6
249.06636	1.1
249.10254	2.7
250.07532	6.9
251.08183	3.1
262.07382	2.2
263.08298	6.1
264.08905	2.4
265.09805	18.1
266.10196	2.2
275.08255	2.1
276.08987	4.8
277.09793	13.9
278.06955	10.0
278.10098	1.8
279.07385	1.7
289.09924	1.8
290.07034	1.4
291.07770	8.1
291.11426	3.9
292.08401	3.2
293.09326	73.6
294.09723	9.0
303.07916	1.2
304.08420	3.4
305.09317	24.5
306.09857	6.9
307.10760	1.1
319.10913	6.4
325.11975	1.2
337.08264	5.4
354.12424	1.7
368.13998	2.2
370.15530	4.2
382.11862	3.1
382.16092	2.0
383.12515	1.3
384.17389	1.7
394.11917	1.4
395.12793	1.0
396.13550	3.5
397.14261	2.9
398.14993	12.1
399.15332	2.4
410.15262	5.2
411.15698	2.5
412.16763	11.4
413.17126	2.0
424.12750	2.0
425.13669	2.5
430.17761	2.5
439.15222	2.6
440.16144	23.7
441.16528	5.0
456.15668	1.6
458.17441	3.5
466.14087	1.4
472.18698	5.6
484.14926	4.0
485.15512	1.5
486.20212	1.3
500.18240	17.5
501.18726	2.8
514.19867	4.4
515.18921	1.4
517.22876	1.6
526.16254	2.9
530.19745	1.4
532.21088	8.9
533.21027	1.6
543.15747	1.6
544.17249	100.0
545.16949	16.9
546.22467	5.0
547.23108	3.1
559.19495	31.5
560.19818	7.1
576.19940	23.3
577.20380	3.7
590.21289	3.8
591.22333	7.9
592.22620	2.4
605.23834	12.7
606.24115	3.3
621.23364	1.4
637.26581	9.1
638.26746	2.6
649.23077	8.9
650.23608	2.4
669.29462	3.5
670.29797	2.0
671.26288	1.3
681.25653	89.7
682.14960	1.7
682.25989	25.8
713.28467	15.2
714.28174	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	757.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	0.5
59.01379	5.3
69.76641	0.9
69.77038	0.5
74.18295	0.2
77.39317	0.2
98.20602	0.5
100.84727	0.2
103.00347	0.2
112.31347	0.2
121.05398	0.2
122.06155	0.4
125.43394	0.2
128.46274	0.2
132.04546	0.8
134.06126	2.3
152.07121	0.2
157.60225	0.3
158.02501	0.4
159.05666	0.3
160.04007	0.3
161.02438	0.5
176.03554	0.4
176.64058	0.2
190.05061	1.2
191.48701	0.2
194.08298	0.4
196.11467	0.3
198.09254	2.8
202.08781	0.6
212.05951	1.1
213.06622	0.4
214.08681	0.5
223.08711	0.6
225.06619	0.6
226.07442	1.7
227.07509	0.2
228.09015	3.4
239.11885	10.9
240.09084	0.2
240.12218	0.7
241.09808	75.9
242.10153	6.5
243.11325	1.6
248.50841	0.2
249.10344	0.3
255.11397	1.2
256.12161	42.1
257.12454	4.3
279.11417	0.6
300.11145	9.4
301.11493	0.8
305.09396	0.5
309.12518	0.3
315.13486	100.0
316.10034	0.5
316.13782	10.0
323.10315	0.9
337.11957	1.9
338.12460	0.5
354.16177	0.3
383.12579	0.5
397.14029	5.9
398.14493	1.6
430.13614	0.5
503.21011	0.4
545.21436	0.3
577.24683	0.3
605.24060	1.0
637.26666	1.6
638.27014	0.3
678.43933	0.3
681.25720	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	756.381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98541	0.2
65.57597	0.1
78.95928	0.4
93.25928	0.1
93.69006	0.1
116.20545	0.1
116.92848	0.3
187.29533	0.2
207.10411	0.2
209.11855	1.1
223.84140	0.2
225.11305	0.2
251.20079	0.8
277.21725	0.3
417.68213	0.2
609.76263	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	756.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.98830	100.0
63.67869	0.2
71.01386	7.5
71.64651	0.2
78.95917	0.4
80.20934	0.2
89.02478	0.3
101.02459	0.4
112.98545	0.3
125.00242	0.2
125.09838	0.2
163.11308	0.2
171.10268	5.4
171.47003	0.2
199.09883	0.3
201.11377	0.8
207.10245	1.0
209.11847	2.5
210.12163	1.1
215.13058	0.3
225.11427	0.5
228.13489	0.2
235.08334	0.6
249.18559	1.3
250.19025	0.9
253.09348	0.8
277.21713	6.8
311.16837	0.4
721.41309	0.5
757.44751	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	757.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98830	69.2
64.89220	2.7
66.13804	2.8
66.67142	2.6
71.01375	18.6
72.99302	7.1
73.02946	5.0
77.02809	2.9
85.02954	5.7
88.04161	3.0
96.96019	5.1
98.95622	3.0
101.02428	10.9
103.00431	4.5
106.06638	11.1
108.02138	5.8
109.02959	7.1
113.02434	9.2
115.00352	4.7
116.92852	2.8
121.02952	11.1
122.06109	13.9
123.04489	4.8
133.01422	5.1
134.06110	28.5
135.04553	17.0
145.02966	5.3
152.01161	8.1
152.07147	6.0
159.17595	3.2
161.02452	23.5
161.04465	3.5
163.04033	6.0
177.02028	4.0
177.09166	5.4
179.03476	9.2
197.04601	3.8
209.11826	3.1
221.04457	5.0
235.08624	2.8
237.10287	3.1
250.07486	4.5
257.48166	2.7
265.09814	10.6
266.10400	2.9
277.09897	6.9
278.06937	9.1
293.09344	43.0
294.09674	4.0
305.09369	16.6
306.09692	4.5
319.10944	4.9
336.38998	3.2
366.01434	2.9
398.15024	7.6
402.14377	9.6
408.13504	3.7
410.14862	3.9
412.16605	9.8
438.98578	3.0
440.16165	11.4
455.31668	2.9
472.18573	3.8
500.18445	8.5
514.19604	3.1
544.17200	60.3
545.17444	8.1
546.22375	7.7
547.22937	3.8
551.97632	3.4
559.19580	25.3
560.19904	7.1
576.19910	18.1
591.22052	6.5
605.24188	18.3
605.32465	3.1
606.24243	4.9
609.22388	3.6
617.36841	10.3
635.38599	3.4
637.26941	13.2
646.39832	3.0
649.22681	9.5
653.40088	3.7
677.39044	19.6
678.39008	4.7
681.25592	54.8
682.25940	15.3
713.27753	9.2
713.40851	10.6
757.32843	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	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
58.00603	0.7
59.01379	11.1
61.98832	2.2
65.94048	0.5
71.01395	3.7
71.05033	0.7
71.63096	0.5
73.02962	0.8
76.77718	0.4
80.02679	0.9
80.61207	0.4
81.03465	1.3
83.01385	0.5
83.05020	3.9
84.02169	1.0
85.02962	1.4
87.00876	1.2
88.98803	1.0
89.02453	1.8
95.05047	1.0
97.02933	1.3
97.06588	0.6
101.02447	2.7
109.02934	0.4
109.06563	0.7
111.08179	3.0
113.02454	1.6
116.92849	0.7
119.03447	0.5
125.06013	0.5
133.02924	0.5
135.04539	0.7
135.08122	0.8
161.02426	1.3
161.04562	1.6
162.06932	0.5
163.11282	4.4
165.12843	3.3
169.12347	1.3
171.10263	4.8
179.05576	0.7
181.12303	1.1
191.10759	0.9
193.12222	0.4
195.13931	0.7
197.11829	16.0
198.12187	0.7
199.13377	1.2
201.11362	0.8
207.10324	0.8
209.11824	100.0
210.12148	6.0
211.11670	0.4
211.13391	2.7
223.13463	0.9
225.11328	2.3
227.12897	12.4
228.13188	0.7
235.08205	3.2
247.20576	0.8
253.09285	11.8
254.09760	0.9
263.20334	0.6
273.18686	0.8
275.20078	0.8
291.19666	13.5
291.22980	0.7
292.19952	1.1
293.21082	3.2
309.20709	30.6
310.21036	4.2
445.20807	1.1
755.42822	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.8
61.98832	52.5
71.01382	2.6
76.12108	1.0
83.01417	1.6
83.05029	9.6
87.00883	6.3
89.02407	1.7
101.02425	2.5
109.06567	2.8
111.96877	1.0
113.02473	1.8
126.43616	1.1
130.11766	1.1
135.08154	4.3
137.09668	1.4
161.02461	1.3
161.04663	1.0
177.72510	1.2
181.08702	58.0
182.09032	3.0
197.11633	1.7
199.09705	5.3
207.10397	1.3
209.11755	3.7
215.12975	1.5
225.11322	1.3
235.08200	4.9
249.18575	2.9
253.09267	8.6
277.21722	100.0
278.22037	10.7
355.28778	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	755.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
60.99308	16.2
61.98835	1.4
70.93767	0.6
70.94093	0.4
71.01387	2.3
71.01710	0.3
72.99303	1.1
73.02947	0.6
75.00861	0.3
85.02969	0.9
87.00879	0.9
88.00404	1.5
88.98808	100.0
89.02445	12.8
89.99141	1.2
93.03471	0.5
96.80019	0.4
101.02464	1.1
108.02164	0.4
109.02957	0.9
109.29092	0.4
113.02448	0.7
119.05002	0.5
123.17571	0.4
133.02945	0.9
135.04530	3.7
137.02444	0.4
141.15926	0.3
141.20808	0.4
149.02429	0.4
152.01149	0.4
153.01976	0.4
161.02440	3.3
175.03963	0.4
178.02631	0.4
179.03532	1.9
197.04568	0.6
224.22859	0.4
235.24374	0.3
237.85886	0.4
267.06781	0.4
312.49136	0.4
359.07892	0.7
507.35260	0.4
538.53656	0.4
591.21051	0.4
651.39417	2.9
652.40045	1.0
669.41119	1.0
711.41431	0.5
759.85254	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	755.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19273	13.3
61.98817	71.7
66.95572	15.2
78.95894	47.5
88.46469	13.0
101.07845	17.0
103.67409	13.8
110.98540	20.3
119.58475	13.6
121.71464	13.3
167.29356	14.5
183.13904	14.8
198.26160	15.1
277.21698	98.4
279.23294	14.6
327.21732	25.1
362.73627	16.3
534.13092	14.7
755.44635	100.0
756.45215	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	755.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17244	0.5
59.01378	29.1
61.98832	4.5
68.67871	0.5
68.99828	0.4
69.03447	1.2
70.95524	0.6
71.01384	19.5
71.62605	1.0
72.99300	1.4
73.02948	23.2
75.00889	0.7
81.03454	1.0
83.01389	7.3
85.02952	1.8
89.02431	0.7
97.02971	0.8
101.02443	21.5
113.02447	4.7
125.02409	2.5
131.03513	1.6
141.44395	0.5
143.03525	2.4
155.03499	2.1
161.02451	1.2
161.04593	2.7
179.03459	0.6
194.85446	0.6
197.11969	0.6
203.05617	5.9
209.11798	3.9
227.12822	0.9
253.09332	0.7
291.19763	0.6
309.20712	1.8
327.97879	0.6
388.61710	0.6
407.33398	1.2
471.34763	100.0
472.35120	21.6
485.36334	8.4
486.36563	1.6
507.33023	0.7
513.35815	8.0
514.35895	1.9
543.36847	1.9
557.34784	1.2
675.40527	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	755.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
60.99308	16.2
61.98835	1.4
70.93767	0.6
70.94093	0.4
71.01387	2.3
71.01710	0.3
72.99303	1.1
73.02947	0.6
75.00861	0.3
85.02969	0.9
87.00879	0.9
88.00404	1.5
88.98808	100.0
89.02445	12.8
89.99141	1.2
93.03471	0.5
96.80019	0.4
101.02464	1.1
108.02164	0.4
109.02957	0.9
109.29092	0.4
113.02448	0.7
119.05002	0.5
123.17571	0.4
133.02945	0.9
135.04530	3.7
137.02444	0.4
141.15926	0.3
141.20808	0.4
149.02429	0.4
152.01149	0.4
153.01976	0.4
161.02440	3.3
175.03963	0.4
178.02631	0.4
179.03532	1.9
197.04568	0.6
224.22859	0.4
235.24374	0.3
237.85886	0.4
267.06781	0.4
312.49136	0.4
359.07892	0.7
507.35260	0.4
538.53656	0.4
591.21051	0.4
651.39417	2.9
652.40045	1.0
669.41119	1.0
711.41431	0.5
759.85254	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	755.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
71.01380	1.8
71.62009	0.4
73.02924	0.2
83.01383	0.3
85.02955	0.9
92.47060	0.3
93.03460	44.4
94.03786	1.9
97.03611	0.3
101.02460	0.8
107.59597	0.2
109.02952	0.4
113.02441	0.7
119.05038	0.6
125.02439	0.6
135.03058	0.4
135.04518	0.7
137.02448	100.0
138.02786	5.1
139.02966	0.5
161.04570	0.7
163.04024	1.0
179.03543	1.2
229.14110	0.3
269.08182	0.3
280.45538	0.3
281.06873	0.4
294.09814	0.3
299.07718	19.0
300.08148	1.8
305.38068	0.3
357.06161	0.4
392.53381	0.3
464.39688	0.3
471.12125	0.3
496.18539	0.3
740.80096	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	754.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98831	100.0
68.41637	0.3
82.36778	0.2
87.00877	0.2
88.21365	0.2
105.07439	0.2
114.71271	0.3
181.12386	0.6
199.13387	4.6
211.98579	0.2
223.13405	0.4
224.13771	0.7
229.22542	0.3
253.09302	0.8
277.21765	3.9
406.23288	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	755.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01385	1.8
60.32568	0.5
70.01311	2.2
70.57542	0.6
71.01398	2.5
73.02962	0.6
80.03796	0.4
83.01427	0.6
85.02952	1.7
89.02461	0.7
93.03465	8.0
95.01403	1.5
99.00881	0.5
101.02440	2.1
108.02179	28.3
109.02971	18.2
113.02443	1.3
116.10947	0.4
121.02995	0.5
123.00880	0.9
135.04495	0.8
136.01674	0.7
136.07678	0.6
137.02460	15.0
138.05614	1.0
151.04010	0.9
152.01157	43.9
153.01944	17.1
179.03639	0.5
281.06638	6.1
315.07242	7.2
391.10669	0.7
435.09314	100.0
436.09689	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	755.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.9
59.42702	0.9
59.87566	0.8
61.98827	10.0
71.01366	1.4
71.62585	1.1
72.99316	0.9
73.60665	0.9
79.59514	0.8
80.03056	0.8
94.06625	1.3
94.41072	0.8
101.02456	1.3
106.06597	1.1
108.04537	1.4
112.10934	0.8
120.04510	1.4
121.02958	1.3
122.06143	9.6
130.06685	1.2
134.06116	6.9
135.04520	2.5
150.05609	14.5
152.07170	2.8
158.06039	1.4
161.02400	4.0
162.06744	0.9
179.03474	1.8
186.05618	1.4
188.07169	1.3
197.04579	0.9
214.05534	0.9
225.10295	1.0
235.08636	1.5
237.10182	1.6
249.10271	1.6
250.07481	4.3
251.08313	0.9
261.10376	1.4
263.08200	3.9
264.08716	1.6
265.09763	8.3
267.93570	1.1
275.08044	0.9
275.12164	1.2
276.09015	2.5
277.09747	2.2
278.07010	5.6
279.07736	1.2
289.09705	3.5
291.07736	4.1
291.11328	2.8
292.08600	1.9
293.09314	19.6
294.09634	1.6
303.07718	1.0
304.08505	3.7
305.09396	4.1
306.10049	1.2
317.09372	2.6
319.10773	6.4
331.80161	0.9
333.08820	1.6
337.08173	1.6
339.13907	1.0
345.08731	1.4
354.12439	1.9
363.09805	1.1
366.12344	1.2
369.14853	1.6
370.15527	2.1
380.10049	1.1
380.14200	1.4
381.10941	1.0
382.11908	3.2
382.16006	1.3
383.12589	1.6
384.13242	2.0
394.11685	2.2
395.12805	1.8
396.13437	2.5
397.14154	2.5
398.15057	5.5
399.15503	1.4
406.15515	1.3
409.14523	1.0
410.11331	3.5
410.15683	2.0
411.11655	1.6
412.16867	1.7
415.66354	0.9
423.12219	1.3
424.12817	2.6
425.13544	1.3
426.14731	7.3
427.15063	2.8
428.16214	4.7
430.17291	1.3
438.14508	6.6
439.14993	3.1
440.16479	1.1
456.15619	22.4
457.15927	3.5
468.15479	4.9
469.15875	1.6
470.17606	5.1
471.17892	1.1
480.15692	2.4
483.14011	1.2
488.18036	1.7
498.16724	43.0
499.17075	8.0
512.17841	3.1
513.18848	2.0
524.14380	1.6
525.15057	1.6
530.19226	13.9
531.19769	3.8
542.15656	100.0
543.15887	17.4
544.20728	3.2
545.21753	1.3
556.17316	1.5
557.17987	23.0
558.18359	3.9
561.21326	1.5
574.18274	20.5
575.18646	3.4
589.20294	3.2
590.20685	1.3
603.22302	16.1
604.22638	5.0
635.25208	12.7
636.25226	3.2
647.21655	4.7
648.21924	1.6
651.40930	1.0
667.28229	2.0
679.24036	66.1
680.24438	18.2
711.26587	8.3
712.27295	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	753.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58433	1.0
55.01852	1.3
57.03444	1.2
59.01387	7.3
61.98815	5.4
63.00946	1.2
69.03435	2.9
71.01385	6.4
71.04992	3.0
75.00860	4.0
75.19480	1.0
82.38346	1.0
83.05039	0.9
85.02969	2.5
87.00874	1.4
88.98826	2.7
89.02422	2.6
97.02928	1.4
101.02440	5.4
102.65782	1.2
110.98354	1.1
111.01668	1.1
111.08118	1.4
113.02460	2.6
119.03484	1.1
125.09714	3.0
135.04565	1.7
151.11296	1.6
153.12868	1.6
161.02391	2.0
161.04489	1.2
161.09741	2.4
163.11276	1.3
170.98579	1.1
171.10213	2.2
179.10796	5.6
181.12405	1.4
195.13826	4.2
197.11829	76.8
198.12215	5.5
202.93791	1.0
207.10248	3.4
209.11815	9.2
211.13197	1.1
223.09819	1.5
223.13364	2.3
225.11258	3.4
227.12944	2.2
241.10777	4.5
253.09291	4.5
275.20135	2.6
289.18192	1.6
291.19687	1.3
293.21222	11.5
294.21457	1.7
307.19016	2.5
309.20654	2.6
459.18945	1.4
477.19574	3.5
753.40643	100.0
754.40961	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68365	0.5
54.34472	0.4
59.01381	100.0
60.01713	1.3
60.84066	0.5
69.30518	0.5
71.01383	7.0
71.63036	0.8
73.02948	4.0
76.33925	0.4
83.01398	1.9
83.74365	0.4
85.02944	3.4
87.00884	0.5
87.22002	0.5
89.02439	2.1
93.03467	0.7
99.00880	1.1
101.02445	7.0
113.02450	4.6
119.03524	1.7
123.63688	0.5
135.04567	1.3
137.02431	0.9
147.04523	0.7
159.03044	0.6
161.02451	1.1
161.04568	3.6
179.03520	0.8
179.05676	0.8
249.13425	5.4
285.04129	0.7
291.14520	3.0
331.17758	1.7
347.06180	0.5
372.36151	0.6
373.18607	4.6
547.27808	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	753.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01702	1.5
61.98840	1.4
71.01382	11.4
71.62534	1.1
72.99313	1.3
73.02947	6.6
75.00892	0.9
78.66324	0.7
82.59937	0.8
83.01376	2.7
83.55716	0.8
84.09222	0.8
85.02956	3.3
88.98827	1.0
89.02460	2.8
89.51556	0.8
91.84589	0.8
93.03463	1.8
93.63531	0.8
95.05106	0.9
96.95992	1.2
99.00900	1.0
101.02448	9.3
105.53462	0.9
109.02957	0.9
113.02473	6.3
114.24564	0.9
119.03500	1.7
119.05081	0.9
129.89993	0.8
133.02907	1.3
135.04538	4.7
137.02422	4.7
138.02782	1.4
145.03006	1.6
147.04518	2.8
151.04085	1.2
161.02451	3.3
161.04599	4.5
164.01146	1.1
165.01582	1.4
179.03551	1.9
179.05568	1.5
192.00484	1.3
193.01279	1.6
194.01860	0.9
221.06665	1.0
249.13458	6.3
285.04135	1.1
291.14526	2.7
331.17606	2.1
341.11331	1.1
373.18646	3.3
386.88803	0.8
418.98819	1.0
502.10623	1.3
503.10852	2.6
504.11096	1.1
505.11545	2.2
547.27649	1.7
752.33612	0.9
753.28168	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	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01133	1.1
59.01385	17.7
59.35532	0.9
60.42107	0.9
61.98832	6.7
69.48940	7.2
71.01389	4.8
72.61949	1.0
72.99300	1.8
78.95892	1.7
83.04973	0.9
87.00897	1.2
89.02445	2.3
89.15923	1.0
93.48328	0.8
97.02943	5.9
99.00878	9.0
101.02429	2.3
109.06617	1.5
110.03729	2.1
113.02473	2.0
115.98236	1.0
118.95599	1.0
121.41077	0.9
125.09720	3.0
142.02708	2.3
150.64172	0.9
152.99544	1.2
161.04555	1.5
161.09689	1.3
163.11284	7.1
179.05653	1.0
181.12355	15.3
199.13429	1.1
199.66925	0.9
205.19467	1.4
207.10258	49.4
208.10645	4.1
209.11717	1.1
225.11311	100.0
226.11707	7.6
235.08261	2.3
239.12866	1.8
243.12418	10.3
249.18587	80.0
250.18883	8.2
253.09282	3.4
277.21671	2.3
291.19449	1.0
309.20618	1.2
315.88519	0.9
346.13535	1.2
377.91043	0.9
443.18991	4.2
461.20255	38.4
462.20502	5.7
693.38574	24.4
694.38568	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	753.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47428	1.3
57.03453	1.3
59.01382	60.7
70.51150	2.8
70.51534	2.9
71.01383	9.4
72.99309	2.8
73.02956	1.7
75.00887	7.0
81.03446	5.3
83.01408	2.7
83.05035	4.0
85.02943	6.6
87.00873	3.3
89.02436	3.6
93.03446	2.2
95.01402	2.9
95.05048	8.0
97.06598	1.8
99.00884	3.6
101.02449	5.3
101.06085	41.0
101.06733	2.8
103.00402	2.0
109.02952	10.2
109.06587	10.6
111.04527	4.5
113.02452	11.7
119.05033	2.0
123.04543	2.0
123.08124	1.7
127.00396	1.6
135.04417	2.0
135.08174	7.5
137.02470	2.1
137.79866	1.6
141.05594	9.5
145.03027	2.6
146.03734	6.2
153.01924	2.9
161.02419	2.0
161.06058	4.7
163.04050	2.8
164.04608	2.1
175.11285	2.4
177.09181	15.7
179.07143	16.1
193.85524	1.6
195.10274	32.9
196.10526	1.5
215.85777	1.5
219.10228	5.2
221.08113	4.5
225.11206	2.4
239.09253	100.0
240.09518	9.6
247.39549	1.7
249.06142	6.6
263.09250	7.9
267.07059	1.6
281.10294	4.9
311.11349	9.4
341.12387	34.3
342.12732	4.4
351.12967	61.6
352.13318	5.5
387.16626	9.5
395.01846	1.8
401.14536	62.9
402.15042	8.3
778.02307	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	751.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	93.7
60.01722	0.8
61.98840	0.6
69.39588	1.0
69.40015	2.3
71.01388	3.0
71.05025	0.7
73.02950	4.1
83.01383	1.7
85.02964	1.1
91.22034	0.3
98.19832	0.6
101.02439	5.8
113.02468	1.3
161.02464	0.4
161.04536	1.5
192.17014	0.4
229.19987	0.4
241.20897	0.4
403.29605	0.5
410.05365	0.4
421.30942	0.4
423.32825	0.6
427.32193	2.2
428.32672	0.7
443.35785	0.4
455.31631	0.4
467.31638	1.5
469.33286	6.8
470.33453	1.2
487.34290	100.0
488.34610	21.8
501.35922	1.1
529.35419	1.3
640.46002	0.5
647.36786	0.5
705.38440	1.0
706.39447	0.6
751.42950	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	751.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	99.1
60.01706	0.9
61.98826	5.1
63.80040	0.5
69.03434	0.9
71.01383	8.7
72.99308	1.1
73.02947	11.5
73.89265	0.4
74.03330	0.5
75.17615	0.4
81.03490	0.5
81.75234	0.4
83.01393	2.9
85.02953	1.4
85.82355	0.4
89.02457	0.5
94.98096	0.9
96.96000	0.6
101.02444	10.2
101.03077	0.8
113.02444	4.1
125.02448	1.1
131.03497	1.3
133.03046	0.6
133.33456	0.4
135.04526	1.2
143.03522	1.3
148.95470	0.4
155.03481	1.0
161.02487	2.4
161.04588	1.3
179.03503	0.6
203.05588	1.9
258.74298	0.5
290.71335	0.5
311.05679	0.5
405.27991	0.7
421.31238	1.0
435.32831	1.3
441.33432	0.5
443.34952	0.8
450.09338	0.5
475.34152	1.9
476.34409	0.7
487.34277	100.0
488.34644	18.1
501.35831	4.8
502.36066	0.9
529.35339	9.9
530.35724	1.7
571.36481	0.6
573.34668	0.6
691.40717	1.2
708.41681	0.9
751.42419	1.5
752.43097	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	751.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55027	0.7
59.01381	91.1
60.01723	1.1
61.98832	23.4
66.24686	0.7
71.01385	10.4
71.62649	1.3
72.99326	4.4
73.02944	7.4
83.01388	2.7
85.02949	3.0
88.98846	0.7
89.02446	1.7
90.50001	0.8
95.01428	1.0
99.00868	1.1
101.02449	14.0
113.02423	3.6
116.92879	0.9
119.03501	1.6
120.09353	0.7
121.02935	0.9
125.02485	0.9
131.03539	1.5
133.02963	3.0
135.04498	4.4
136.93774	0.9
143.03436	0.8
149.02513	1.0
155.03540	0.9
161.02454	11.5
161.04591	2.7
162.02762	1.2
179.03491	2.0
187.07594	2.4
203.05664	2.1
205.40274	0.7
206.85965	0.6
214.57272	0.7
219.10251	0.8
231.10350	0.9
269.53632	0.8
275.09222	0.8
293.10425	3.6
293.21136	3.5
332.45224	0.7
333.17563	0.7
341.26868	1.3
397.13681	1.5
431.25452	0.7
436.12671	0.9
455.13559	3.4
467.14789	0.8
487.34308	100.0
488.34698	21.9
501.35928	3.0
503.33594	0.9
529.34924	7.9
530.35785	1.1
628.71649	0.8
649.39355	1.7
691.40637	15.4
692.41119	2.6
751.42584	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	751.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.76579	0.5
60.01712	1.2
62.79950	0.4
68.68684	0.5
70.97713	0.5
70.98038	0.7
71.01378	3.4
72.82452	0.4
72.99306	0.4
73.02950	6.1
83.01395	1.9
85.02973	0.5
101.02448	4.6
113.02483	1.2
125.02489	0.6
142.49136	0.4
143.03549	0.9
161.02431	0.5
161.95628	0.5
187.05383	0.5
205.69586	0.4
266.42151	0.5
391.30386	0.5
407.33231	2.1
417.25012	0.9
423.32605	0.8
425.34274	7.5
426.34732	1.2
439.32156	1.1
441.33792	1.8
442.33936	0.8
443.35507	0.5
457.33203	1.1
459.25851	2.1
460.26099	0.5
469.33298	5.5
470.33569	1.5
473.01566	0.5
474.97852	0.5
487.34286	94.1
488.34650	17.4
501.35782	1.7
502.36493	0.5
513.32751	0.5
529.35352	2.7
530.36090	0.8
559.36090	0.7
628.99951	0.5
719.24030	0.4
751.43097	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	751.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01713	1.3
60.41299	0.4
66.86528	0.4
69.65236	2.8
71.01386	3.1
71.05052	0.5
73.02946	4.8
83.01394	1.3
85.02956	0.8
93.59386	0.4
100.89512	0.4
101.02448	3.6
113.02482	0.9
124.57670	0.5
129.46692	0.5
131.03491	0.4
154.88214	0.5
161.02473	1.3
203.05632	0.8
236.29781	0.4
284.48065	0.5
392.86398	0.5
407.33594	0.5
423.32672	2.4
424.33179	0.6
425.34692	0.7
427.32321	1.1
445.21649	0.5
459.26151	1.5
469.33194	5.2
470.33667	1.4
487.34283	99.1
488.34616	22.3
501.35742	1.3
529.35181	2.3
530.35205	0.5
535.85583	0.5
691.40002	0.9
751.42975	1.6
752.42908	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	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01378	7.4
61.98834	3.7
69.03467	2.7
70.11904	2.0
71.01370	4.2
71.05013	0.5
73.02942	0.6
81.03462	0.8
85.02955	1.3
87.00897	0.9
89.02428	2.4
95.01375	0.5
97.02946	0.9
97.06629	0.7
98.19906	0.5
101.02430	4.2
109.06564	1.1
111.08173	5.8
112.62536	0.6
113.02456	1.9
116.11295	0.5
119.03509	1.1
125.09796	0.7
134.84668	0.5
153.09274	0.6
153.12808	0.7
161.02519	1.0
161.04527	2.1
161.05830	0.6
165.12830	0.9
167.10777	3.0
169.12321	1.8
171.10280	0.8
177.12814	1.0
179.05646	0.7
179.10744	1.5
179.14423	2.2
181.12297	0.6
195.13907	9.1
197.11835	29.9
198.12167	1.3
199.13428	1.2
205.12321	10.3
206.12755	0.7
209.11786	0.6
211.13354	4.5
215.24808	0.5
221.11928	0.7
223.13387	100.0
224.13696	7.3
227.12935	1.4
235.08278	5.0
240.91478	0.5
247.20634	1.1
253.09285	14.0
254.09613	0.8
263.20230	0.9
265.18280	0.8
273.18637	0.6
291.19681	16.9
292.19989	1.7
293.21301	0.8
309.20712	45.6
310.21143	4.3
459.22342	10.5
460.22467	1.1
515.33582	1.0
545.29559	1.1
554.87659	0.6
751.42340	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	751.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
59.01381	100.0
60.01695	1.2
61.98832	28.7
71.01382	23.3
71.05019	2.3
72.99306	4.8
73.02946	11.1
75.00877	2.0
83.01382	3.7
83.05026	1.6
85.02954	8.1
87.00873	2.4
88.98811	1.6
89.02449	6.1
95.01379	2.2
96.96000	2.7
97.06591	1.3
101.02449	17.7
109.02929	1.6
113.02459	12.3
115.03915	1.2
116.92833	3.6
119.03516	2.0
123.04469	2.6
125.02505	1.4
126.90530	1.7
131.59654	1.3
133.02953	4.5
134.06125	1.7
135.04543	10.3
136.04875	1.6
137.02469	1.2
143.03471	1.5
145.03021	5.5
147.04651	1.5
149.02438	1.7
149.04543	1.6
150.03217	1.6
161.02440	14.0
161.04539	5.6
163.04050	1.6
179.03531	5.5
184.99933	1.2
197.04529	3.0
267.06540	1.7
311.05655	2.9
359.07861	1.8
425.34232	4.5
441.34268	5.5
443.28674	2.4
443.35297	11.3
444.35797	1.4
457.33029	3.2
469.33347	4.6
475.34290	20.1
476.34787	3.5
485.32648	4.3
486.33032	1.4
487.34320	51.7
488.34534	11.1
501.36139	1.3
503.32700	2.4
513.32495	2.1
519.33380	1.5
545.33173	3.6
631.39819	1.4
633.44604	1.3
647.39514	13.7
648.39093	2.5
649.39276	2.4
665.41455	4.0
691.40338	4.1
707.40088	48.6
708.40576	10.6
716.76355	1.4
784.12891	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	751.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18437	0.4
59.01377	21.5
61.98835	2.9
64.47717	0.5
69.49103	2.8
69.49504	0.7
71.01391	3.7
71.05011	0.8
72.99297	1.3
73.02941	1.4
82.30672	0.4
83.01369	0.5
85.02940	1.1
88.98814	0.8
89.02452	1.7
93.03515	0.6
96.95996	0.6
98.19852	0.6
101.02436	3.3
105.59107	0.5
109.02943	0.9
113.02444	1.8
119.03498	1.3
133.02957	1.1
135.04529	4.4
138.43951	0.5
145.02933	0.7
159.04489	0.8
161.02440	4.6
161.04568	0.6
162.02710	0.6
163.03935	0.6
179.03471	3.1
197.04575	0.9
379.20462	0.5
421.31229	0.7
437.30237	0.5
459.34872	1.1
467.31589	1.0
476.86609	0.5
485.32721	13.3
486.32791	3.0
487.34283	3.2
488.34814	1.1
503.33807	6.0
504.34033	1.2
527.33856	7.7
528.34119	1.4
545.34839	100.0
546.35199	21.5
649.37598	0.8
707.39368	0.7
709.40717	0.7
751.38953	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	751.391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98833	23.4
71.01385	14.4
71.05005	1.5
71.65538	1.5
72.99310	3.5
73.02947	8.0
75.00853	1.4
77.40185	1.2
77.91380	1.4
78.91897	1.6
83.01378	3.5
85.02960	6.3
87.00860	2.0
88.98831	2.3
89.02442	3.4
96.95941	1.2
99.00926	2.3
99.04485	1.8
101.02451	11.0
109.02920	1.4
113.02424	5.6
116.92857	2.3
123.04534	1.9
125.02483	2.2
133.02945	3.3
135.04515	5.8
137.02368	1.6
143.03528	1.3
145.02943	3.0
161.02431	12.7
161.04510	1.9
161.61693	1.2
162.02873	1.1
166.81329	1.5
179.03491	4.6
182.28429	1.2
197.04559	2.5
202.89020	1.3
272.23041	1.2
311.05597	2.6
409.31290	1.5
437.30716	1.6
440.30255	1.6
441.33667	3.3
487.34317	73.9
488.34528	11.4
503.33722	4.0
529.32086	4.3
545.33008	2.2
647.37970	13.5
648.37848	2.5
665.38776	3.5
707.40118	90.9
708.40546	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	751.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06383	1.6
59.01381	32.9
61.98821	2.2
62.42474	1.4
71.01385	15.0
73.02947	16.5
76.20663	1.5
83.01371	3.4
85.02947	3.6
93.03440	2.3
98.20610	4.7
101.02450	23.7
101.84383	1.6
113.02439	7.3
119.05046	3.7
133.03006	2.2
135.04512	3.6
137.02480	2.0
143.03531	2.0
155.03468	2.9
161.02399	5.7
161.04530	3.6
163.03951	2.5
203.05705	2.2
407.29654	1.9
409.31110	1.8
421.31168	3.3
441.33862	5.1
455.26758	2.0
457.33420	3.8
485.32855	2.7
503.33813	100.0
504.34036	18.0
514.32861	1.8
517.35431	4.5
545.34827	34.3
546.35297	5.8
707.28741	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	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
61.98830	0.6
69.77267	0.1
71.01384	1.2
71.13014	0.3
72.99310	2.6
73.02962	0.2
73.99648	0.1
75.00875	100.0
76.01202	0.9
83.01369	0.2
87.00870	0.3
89.02460	1.0
97.02967	0.2
101.02428	1.1
113.02449	0.4
119.03513	0.5
125.02480	0.4
128.04819	0.2
143.03522	0.3
161.04459	0.2
179.05655	0.3
235.08253	0.4
253.09290	0.2
277.21710	3.4
278.22150	0.3
278.41214	0.2
287.07944	0.2
305.08701	0.2
334.48334	0.1
375.45102	0.2
397.13528	5.8
398.13992	0.6
415.14609	2.0
416.14563	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	751.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24270	1.2
59.01380	51.2
66.12640	1.2
67.06991	1.2
69.43813	5.2
69.44241	6.2
71.01379	19.5
71.04992	1.3
72.99340	1.3
73.02947	22.4
75.00871	1.9
78.11008	1.4
83.01379	7.2
83.84425	1.4
85.02981	2.1
85.04565	1.1
89.02455	1.5
90.34917	1.3
96.95998	4.8
99.00897	1.6
101.02448	21.9
103.07512	1.2
113.02456	5.8
135.04544	2.9
143.03574	1.8
155.03476	1.6
161.02463	6.0
161.04491	2.0
179.03421	2.8
203.05592	4.7
267.28824	1.7
373.25061	2.0
391.30496	2.3
407.29358	6.0
437.31012	1.7
453.29596	2.0
457.32990	2.6
485.32455	4.2
503.33792	100.0
504.34189	18.4
517.35321	4.6
545.26385	1.8
545.34808	32.5
546.35217	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	750.226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48074	0.1
55.65512	0.2
58.47416	0.2
59.01380	4.1
60.01725	0.2
61.98832	100.0
62.99233	0.2
71.63399	0.2
79.34251	0.2
82.27008	0.1
128.39104	0.1
427.98712	0.2
452.58102	0.2
457.16473	0.1
489.92923	0.2
515.13666	0.2
528.15076	0.2
529.15387	0.2
604.20020	0.3
615.20648	0.2
616.20593	0.6
617.20477	2.7
618.20837	0.3
649.20013	0.6
724.94562	0.2
750.24615	3.6
751.23730	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	751.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22814	0.7
55.82596	0.7
59.01377	2.4
61.98838	3.4
67.20033	0.7
71.01389	2.2
71.18302	1.0
71.18630	0.8
72.99300	3.6
75.00875	100.0
76.01186	1.6
79.42530	0.7
86.10406	0.6
89.02472	1.3
101.02448	1.0
113.02469	0.8
161.02417	0.7
197.11761	1.6
208.44498	0.7
209.11766	0.7
223.13382	0.7
235.08321	1.0
277.21799	3.2
291.19589	0.8
309.41205	0.7
390.31302	0.7
397.13507	6.9
415.14548	2.0
487.34265	2.1
488.34537	1.7
540.91711	0.7
751.40234	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	749.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73943	0.4
57.03456	0.4
59.01381	100.0
60.01694	1.1
61.71574	0.4
61.82367	0.5
61.98833	3.8
62.54337	0.5
68.99560	0.7
69.48822	3.7
71.01391	4.9
72.99344	0.8
73.02974	1.6
83.01416	0.6
85.02946	2.2
89.02459	1.3
98.19827	0.8
99.00917	0.7
101.02446	3.1
104.62881	0.4
112.98596	0.4
113.02473	2.3
116.92855	0.5
135.04549	1.2
161.02469	1.9
224.35869	0.4
274.01230	0.5
485.32840	2.8
486.33096	0.7
487.34576	1.4
523.93121	0.5
629.36987	21.3
630.37317	5.7
647.37799	5.1
648.38330	1.4
689.39063	26.3
690.39575	7.3
749.41437	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	750.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
58.00583	0.7
59.01381	15.1
61.59919	0.4
61.98824	0.9
67.01888	0.7
67.78658	0.4
68.99805	0.7
69.03428	0.5
71.01383	27.3
71.92126	0.5
72.01745	0.5
72.99312	17.4
72.99725	0.9
73.02642	0.4
73.02955	4.1
75.00874	8.8
83.01400	3.7
85.02955	23.3
86.03291	0.4
87.00872	6.2
89.02450	5.1
95.01396	5.7
96.34857	0.4
96.96022	1.1
97.02987	0.6
99.00879	8.1
101.02444	3.0
103.00380	6.0
109.02952	0.7
111.00886	1.0
113.02446	31.6
114.02803	0.9
115.00388	2.5
116.05060	19.9
117.01935	1.6
117.03461	1.2
117.05372	0.8
119.03479	0.4
123.04497	0.6
126.46984	0.4
129.01938	1.5
131.03511	2.7
133.01425	1.5
133.02965	1.1
134.03711	0.8
135.04533	8.0
137.02451	0.8
139.00418	0.5
139.02707	0.4
150.03185	0.7
151.03973	0.6
157.01427	1.8
161.02429	5.3
163.00333	1.6
175.02472	8.0
175.03922	0.8
177.01920	1.5
177.55714	0.4
179.03470	3.0
193.03523	21.4
197.04390	1.0
235.04570	1.6
268.10464	0.5
269.04437	0.8
281.04535	14.0
282.04855	1.0
289.05682	3.8
307.06754	0.6
307.10382	0.5
332.13434	0.5
333.04718	1.5
351.05661	100.0
352.06009	6.9
384.58307	0.4
398.10300	13.1
399.10626	2.5
505.13382	1.0
579.30566	0.5
583.95892	0.5
584.22192	0.5
616.14490	0.6
718.27002	0.5
750.16864	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	749.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
57.03460	1.8
58.00591	2.0
59.01380	100.0
61.98828	7.8
69.03479	1.7
71.01378	17.5
72.99294	5.1
73.02950	8.2
83.01373	6.4
85.02959	10.6
87.00899	2.5
88.39610	1.6
89.02428	2.2
90.92292	1.5
93.24802	1.7
95.01390	5.8
96.96018	19.9
98.20621	4.1
99.00880	3.1
101.02455	22.5
111.00935	2.7
112.40841	1.9
113.02448	7.4
116.92928	1.7
123.04503	1.6
125.02444	3.9
133.02933	7.2
135.04546	13.9
143.03503	4.6
145.02850	2.2
159.03070	1.9
161.02446	15.6
161.04547	3.1
163.04031	1.6
179.03502	7.3
191.03464	2.2
192.15364	1.9
197.04555	8.4
267.06644	1.6
324.63565	2.0
359.07684	2.6
389.08679	2.8
391.26154	1.7
419.29507	3.2
421.26596	2.4
421.31433	4.4
423.29001	3.4
437.30942	3.1
439.32324	2.3
439.82895	2.1
445.31018	2.3
453.29919	3.2
465.29974	2.4
471.31116	4.4
485.33090	8.9
501.32083	11.3
502.32935	2.0
543.31604	2.8
565.35364	2.6
581.34180	3.1
583.36615	5.3
584.36877	2.7
601.37170	8.1
602.37708	3.1
615.35181	2.7
645.36499	30.5
646.36847	8.3
663.37622	30.9
664.37415	10.2
705.38763	15.0
706.38544	3.4
749.33368	2.4
750.42700	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	749.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54686	0.5
59.01382	3.7
69.60831	2.2
69.61259	1.0
71.01382	1.1
72.72382	0.5
72.99305	1.1
77.03979	0.7
84.63801	0.5
93.03469	1.1
95.01369	1.6
96.96012	0.6
97.02953	1.9
100.50694	0.5
101.02454	0.6
108.02190	1.6
109.02962	2.0
117.03472	1.1
119.05054	1.6
120.02158	4.0
121.02988	6.2
133.02994	1.2
135.00888	3.6
135.04485	2.6
137.02452	16.8
138.02779	0.5
145.02953	6.1
147.04507	0.7
161.02396	2.4
161.97028	0.5
163.00391	8.5
163.04047	1.5
164.01166	57.3
165.01942	23.3
165.05566	0.8
166.02289	1.3
179.03505	1.4
190.99899	9.4
191.03522	0.9
192.00655	58.6
193.01418	67.5
194.01808	4.1
197.04588	1.0
207.02983	2.1
227.54456	0.5
229.01212	0.6
295.05954	0.8
307.08121	2.6
311.05664	0.8
339.04926	0.8
351.64218	0.6
355.06766	3.7
356.06564	0.6
397.07663	2.4
475.10455	2.0
488.53815	0.6
501.10385	100.0
502.03552	1.1
502.10760	16.4
519.09485	1.2
593.23071	0.6
637.43604	0.5
705.16589	3.4
706.17365	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	749.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
59.01382	100.0
60.01717	1.2
69.53087	0.7
69.53495	3.1
71.01385	7.7
72.99298	1.1
73.02960	2.7
80.46035	0.4
80.70553	0.4
83.01398	1.6
85.02945	3.5
89.02470	0.5
89.18781	0.4
95.01421	0.5
99.00896	1.4
101.02455	6.1
112.89359	0.4
113.02467	2.4
115.82971	0.4
123.40269	0.4
125.02510	0.7
135.04526	0.7
147.04500	0.5
159.02962	0.6
159.04312	0.6
161.02512	1.2
161.04541	3.0
177.65332	0.5
179.03596	0.5
199.00203	1.1
251.09378	0.8
265.37094	0.6
269.10315	3.9
289.16800	0.6
307.17618	4.0
307.20633	0.5
308.18005	0.6
311.11575	1.4
349.06976	1.0
349.18683	5.3
350.19138	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	749.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
69.46216	0.4
69.46514	3.9
72.04585	0.4
72.99310	0.6
77.03974	0.9
93.03471	0.8
95.01375	0.8
97.02946	1.7
108.02164	1.3
109.02954	1.6
117.03468	1.0
119.05009	1.4
120.02180	4.1
121.02957	5.0
123.04525	0.5
135.00893	3.7
135.04495	3.0
137.02452	16.6
138.02802	0.7
145.02945	7.2
147.04469	0.5
149.02461	0.7
151.54709	0.4
161.02441	2.0
162.99126	0.8
163.00380	8.5
163.04010	1.1
164.01154	57.5
165.01932	27.4
166.02272	0.8
177.01930	0.8
179.03546	1.6
190.99855	13.6
191.03508	1.1
192.00639	66.3
193.01399	75.1
194.01682	3.8
205.01349	0.5
207.02956	1.7
229.01436	0.7
235.02451	1.0
267.06577	1.0
269.07990	0.4
293.04153	0.5
295.06244	2.1
307.08264	2.9
313.07065	0.5
339.05164	1.6
355.06781	3.5
397.07593	3.1
398.07892	0.5
399.51462	0.4
475.10239	1.9
476.11047	0.5
501.10382	100.0
502.10712	17.0
519.09253	1.4
520.08789	0.5
571.58258	0.5
705.16730	5.9
706.16821	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	748.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01131	1.7
59.01384	26.4
61.98824	3.6
71.01390	17.2
71.46329	2.6
72.99279	1.9
80.42216	1.4
85.02945	1.4
89.02451	25.2
93.59641	1.6
101.02447	12.1
108.17487	1.4
108.18366	1.4
113.02457	10.3
119.03508	17.8
131.03516	2.2
143.03497	3.6
161.04591	1.5
179.05609	10.5
208.85063	1.5
210.80531	1.5
225.22186	5.3
226.93701	1.5
245.37526	1.4
271.22751	2.7
296.26038	2.7
339.44080	1.5
532.47314	20.2
533.47607	4.7
550.48395	7.7
551.49072	2.7
712.53662	100.0
713.53998	31.0
748.51392	25.5
749.51758	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	747.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03442	1.0
59.01381	100.0
60.01718	1.7
70.06283	1.1
70.06699	0.7
71.01387	14.4
72.99332	0.9
73.02947	4.0
75.00876	0.4
83.01393	1.3
85.02957	5.3
87.00909	0.6
89.02448	1.2
95.01408	1.3
99.00896	1.6
101.02435	8.1
107.00990	0.4
109.02980	1.4
113.02438	4.1
119.03512	0.6
120.96156	0.4
121.33844	0.4
123.04545	0.5
125.02478	0.5
133.02972	0.8
135.04529	3.2
137.02495	1.0
143.03453	0.5
143.10728	2.4
159.03098	0.9
159.04549	0.4
161.02443	4.2
161.04581	4.3
163.03983	0.5
179.03580	1.4
197.04564	1.0
203.05707	0.8
267.06924	0.6
269.10321	5.1
269.12875	0.4
270.10876	0.6
283.82788	0.4
287.15134	1.7
293.04553	0.4
304.18381	0.4
305.16061	8.8
305.19180	0.6
306.16513	0.6
311.11304	2.3
325.07358	0.7
347.17090	8.1
348.17535	1.1
351.05273	0.7
359.07916	0.8
401.75208	0.4
437.09604	0.5
666.19330	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	747.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01384	50.1
60.01710	1.0
61.98837	2.7
69.03452	0.6
71.01385	22.6
71.65388	0.7
71.97319	0.5
72.99311	1.8
73.02945	10.6
73.03342	1.1
78.03717	0.5
83.01385	3.5
85.02954	5.4
87.00861	1.8
89.02448	10.3
90.02783	0.5
95.01396	1.3
95.12191	0.4
96.96025	1.0
97.02950	0.6
99.00847	0.9
99.04528	0.6
101.02452	15.7
109.02937	1.0
113.02450	8.0
119.03506	3.6
119.05006	0.5
122.06123	0.9
123.04517	1.1
125.02463	1.5
129.52457	0.5
131.03477	0.9
133.02937	1.4
134.06119	0.9
135.04527	4.7
136.07657	1.2
137.02327	0.7
143.03490	1.0
145.02963	1.5
146.34393	0.6
149.04584	1.0
158.95721	0.5
161.02458	4.2
161.04553	1.9
162.02798	0.6
163.03941	0.7
179.03534	1.8
181.95190	0.5
189.16447	0.8
197.04506	0.8
198.99605	0.5
227.06657	0.6
229.01401	0.6
233.15437	1.1
235.17145	0.6
242.10597	0.6
251.16559	4.7
257.12918	3.1
257.15433	1.3
267.06625	0.9
284.20279	0.6
293.17819	0.7
301.11902	4.4
302.12109	0.6
339.05145	2.4
340.05807	0.5
395.20813	3.0
413.21823	7.1
414.22061	0.7
437.21918	1.0
455.22861	100.0
456.23248	16.1
456.28442	0.4
479.22879	1.7
497.23959	2.0
548.19446	1.4
567.11078	0.6
580.21661	0.8
627.26532	0.6
735.40100	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	747.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19039	0.6
59.01381	100.0
61.98835	1.1
69.44073	5.0
81.33703	0.7
98.20733	0.6
113.37516	0.6
119.52512	0.6
133.14384	0.7
137.43317	0.6
139.42845	0.7
160.12111	0.8
186.93697	0.6
255.23438	0.8
286.08255	0.7
455.17239	3.0
456.18155	0.7
469.12054	0.8
473.18228	4.7
496.13782	2.1
497.13651	0.6
510.15610	1.1
512.13379	10.2
513.13605	3.1
526.14850	11.1
527.15576	3.7
569.16626	1.6
570.17529	0.9
581.34198	0.7
586.17596	1.5
599.17603	1.3
600.18933	2.3
601.19104	4.0
602.19604	1.7
613.19275	2.4
614.20166	69.0
615.20441	27.6
618.16956	0.8
632.17316	2.2
646.19153	10.7
647.19220	2.8
673.20648	0.9
687.22931	5.5
688.23126	1.8
747.25177	51.5
748.25464	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	747.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.6
71.01405	1.1
71.62072	0.9
108.02191	3.4
109.02956	100.0
110.03288	3.4
115.05550	0.9
118.34749	0.7
119.05032	0.7
121.02974	1.6
123.04527	2.8
131.05054	2.3
133.02965	6.4
135.04533	8.5
137.02470	1.2
145.02992	2.9
146.03752	1.3
147.04529	7.0
151.03995	2.1
153.91113	0.6
158.03741	0.7
159.04524	31.9
160.04938	2.2
161.02454	6.7
163.04025	1.3
173.02484	1.8
174.03238	1.7
175.04048	7.4
177.02013	0.8
179.03481	4.3
191.03456	1.3
193.04980	0.6
197.06207	0.8
198.06834	1.4
199.07620	0.7
203.03500	22.9
204.03825	1.7
211.04008	1.0
211.07710	0.8
223.07603	1.3
226.06110	0.9
227.07135	0.8
230.60240	0.7
235.04155	0.7
237.05498	2.5
239.07013	0.7
247.02481	2.6
251.07114	2.3
252.07817	1.9
253.05029	1.9
254.05835	5.3
255.06479	2.3
256.07367	0.7
266.05634	1.0
267.06485	3.8
268.07208	0.8
269.08191	40.9
270.08499	4.3
281.04660	1.0
283.06226	2.0
295.06189	3.3
309.03903	1.1
311.05618	5.1
312.05899	1.2
313.07184	22.3
314.07434	2.8
327.05215	0.8
357.06149	86.9
358.06433	10.5
389.18204	1.2
466.00586	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	747.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.8
69.03455	2.7
70.93331	1.2
71.01379	1.1
81.03454	0.7
83.01404	0.9
87.04639	0.6
95.01412	0.5
97.02954	16.7
101.02445	1.1
107.01385	0.7
125.02450	100.0
126.02783	3.1
150.54027	0.5
152.90501	0.6
203.05574	1.8
203.18701	0.5
293.12369	1.0
329.08759	5.1
484.53027	0.5
527.84369	0.5
587.42810	0.5
623.90448	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	747.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	31.0
61.98828	37.3
70.87652	4.6
71.01398	18.8
71.63120	5.7
85.02930	5.6
89.02426	10.7
91.13737	5.5
101.02466	6.5
106.06629	15.5
113.02487	6.1
122.06163	8.5
133.02948	8.8
134.03633	5.5
134.06122	81.2
135.04524	27.2
152.99577	5.3
161.02402	22.7
161.04576	8.8
171.10481	5.1
179.03496	8.3
179.05566	11.3
181.12326	30.5
199.13390	49.9
200.13705	6.0
255.23112	9.8
259.34082	5.3
263.07712	7.2
310.81012	5.2
362.60526	5.8
363.25290	8.8
368.14087	10.8
370.16119	5.2
382.11841	11.3
392.13712	9.4
394.11853	5.2
398.14969	13.8
404.13498	6.5
410.15060	14.4
411.15411	5.6
420.13184	63.9
424.16901	6.8
432.13043	8.4
471.13132	5.0
545.22021	35.7
546.21643	11.8
553.46918	5.5
567.20154	49.2
568.20294	8.3
577.24597	11.5
585.21313	12.0
599.22412	7.6
611.19141	24.2
621.23322	8.6
627.22247	83.7
628.22662	11.1
629.19879	6.3
643.21667	29.5
644.22467	7.4
659.24957	6.0
661.23090	8.9
671.21313	100.0
672.21619	28.0
688.76855	5.7
703.23773	57.3
704.24182	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	746.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.6
58.63800	1.1
59.01382	100.0
61.98827	1.6
62.53872	1.2
68.01414	11.4
69.49708	5.5
69.50135	3.6
71.01382	15.1
72.99319	2.9
73.02953	4.8
75.00885	1.5
83.01386	2.2
85.02952	9.3
87.00898	1.2
89.02476	1.3
97.02913	1.6
99.00887	2.2
101.02462	9.3
103.00381	1.1
110.02472	6.8
113.02444	9.9
115.07655	9.4
121.02958	1.3
125.02479	1.4
131.03658	1.7
135.04532	8.5
144.90720	1.4
147.04553	14.6
158.06088	2.6
161.02444	5.0
161.04555	9.3
161.05782	1.7
163.04076	1.1
167.03551	1.7
179.03497	2.7
188.05626	1.7
189.05612	2.2
197.04604	2.9
201.88844	1.3
203.05623	10.8
230.06683	37.3
231.07011	3.2
276.08743	10.1
279.14606	3.2
293.04474	2.0
294.09814	1.9
325.07230	2.1
336.10944	5.2
337.02884	1.4
351.05557	6.2
365.14566	11.5
366.14661	2.0
369.05954	1.6
394.94150	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	745.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85836	1.3
59.01380	30.4
80.05066	5.0
94.36812	1.1
104.05067	2.5
106.06639	6.4
108.04572	2.7
109.02914	2.1
119.04997	1.9
122.06094	7.5
132.04572	1.8
133.02930	1.8
134.06126	36.0
135.04521	3.4
136.07680	5.0
146.06128	3.9
148.07610	1.4
152.07158	5.1
152.97227	1.4
160.04059	1.3
160.07654	1.2
161.02472	7.2
174.05608	1.3
179.03552	2.2
180.06616	6.1
186.05627	1.5
188.07204	14.7
190.05014	1.5
194.08266	1.7
197.04549	1.7
211.08783	3.5
223.08809	2.4
224.09450	2.7
225.10345	5.9
227.11951	6.2
235.08798	1.7
237.10275	1.8
238.07384	2.2
239.11774	2.0
251.08224	3.3
251.11897	4.9
252.09081	2.4
253.09828	8.1
257.13068	2.1
264.08914	2.2
265.09744	4.3
266.10492	2.0
267.11374	6.0
277.09647	6.3
278.10223	2.0
279.07669	3.8
279.11398	4.9
285.03995	1.6
291.07739	1.9
292.08569	2.2
293.09381	5.4
293.12607	1.7
294.10205	4.3
295.10889	27.8
296.11292	2.1
305.09280	4.3
306.09857	3.4
307.10873	19.5
308.11255	1.9
309.12442	2.8
321.08923	2.6
321.12457	2.6
337.11966	2.3
358.15787	1.8
374.18713	2.4
386.14822	1.8
397.13892	3.3
400.16605	4.1
414.18204	4.2
418.17740	1.8
426.13474	1.4
442.17825	15.1
443.17996	3.1
460.18820	3.4
468.15588	1.5
486.16693	5.1
502.19867	33.8
503.20059	5.8
505.18323	2.0
518.19373	1.7
546.18805	82.4
547.19135	19.9
566.22430	1.4
578.21442	100.0
579.21783	24.7
657.27216	1.6
669.26056	1.7
701.28088	1.5
745.29492	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	745.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72850	1.6
54.69248	1.6
59.01382	82.5
61.98831	16.2
70.47297	1.6
70.66164	3.2
71.01374	4.3
72.98484	1.5
72.99298	2.9
73.02929	1.9
80.05051	2.1
88.98819	2.4
92.05079	2.2
96.96010	3.5
98.19923	1.7
101.02463	2.9
104.05029	2.0
106.06622	15.5
116.92136	1.7
120.08196	5.0
121.05331	6.4
122.06128	27.8
130.06596	2.3
132.04535	3.3
133.02968	4.4
134.06123	41.5
134.07156	2.1
135.04562	8.9
135.06471	2.9
138.05629	3.2
146.06142	2.3
148.04048	5.7
148.07686	5.6
149.02496	2.3
150.03175	2.4
151.03998	1.7
152.07162	3.5
158.06071	2.1
160.04065	5.9
160.06416	4.5
161.02435	18.9
164.07185	8.3
174.05580	3.7
176.14464	1.7
178.05089	5.5
179.03491	6.2
186.05530	1.8
188.07149	1.8
190.05112	2.0
194.08151	3.3
210.07677	8.2
211.08685	2.3
213.10326	24.5
218.08223	15.7
223.08826	2.2
224.09636	1.8
225.10220	3.9
226.11124	3.3
227.11861	5.0
235.08752	5.8
237.10306	4.6
239.11848	10.9
241.09779	9.8
241.13432	13.8
247.08832	2.5
249.06618	2.0
249.10298	4.6
250.07410	3.0
251.08218	4.2
251.11922	4.5
253.09680	4.0
254.10541	3.0
255.11343	4.9
256.12183	12.4
263.08255	7.7
263.11884	2.1
264.08920	4.4
265.09854	14.0
266.10513	4.0
267.11255	2.0
277.09903	10.4
278.10434	3.3
279.07593	2.3
279.11362	3.0
281.09308	3.8
281.12601	2.3
282.10007	1.9
285.12430	43.5
286.12888	3.4
291.07867	3.9
291.11404	4.0
292.08392	2.6
293.09351	7.3
293.12570	2.2
294.10034	3.3
295.07700	1.6
295.10907	8.9
300.11182	13.9
305.09448	8.1
306.10086	3.6
307.10898	6.8
308.08112	3.5
308.11530	4.2
309.08728	8.3
309.12415	8.8
310.09442	2.0
311.05661	3.6
315.13528	4.6
323.10385	19.4
323.13834	2.0
324.10999	5.0
325.11969	8.6
336.11136	3.4
337.11819	9.7
338.12469	2.2
343.08356	2.2
351.13849	2.0
354.12390	3.9
355.13205	2.2
356.14050	4.0
365.11432	3.1
367.09302	1.8
368.14041	3.4
369.14865	2.3
370.15665	3.8
381.10999	2.3
382.11676	2.4
383.12585	3.7
384.17279	2.6
385.14606	2.0
396.13483	4.6
397.14127	4.0
398.15216	5.7
399.16202	2.5
400.12512	2.4
410.14923	2.3
411.15768	4.9
412.16574	7.0
413.17361	2.7
414.14462	5.2
415.15280	8.7
416.15567	3.4
426.18436	7.6
427.15048	2.1
428.15881	3.0
430.17490	6.2
440.16159	3.1
442.17551	3.9
443.18115	2.2
444.19458	4.0
454.17715	9.6
455.17694	2.9
456.15628	3.8
461.16379	2.1
470.17166	2.4
471.17996	5.6
472.18735	6.1
477.19211	2.7
486.20352	40.9
487.21082	10.2
489.23621	2.2
491.20853	3.7
492.21439	2.2
494.23434	2.1
502.20166	2.1
504.21365	7.0
518.22705	3.9
530.19348	8.8
531.19647	2.5
533.21869	19.7
534.22253	5.8
546.22693	40.1
547.22931	8.3
562.22034	7.4
575.19397	9.6
576.19720	6.6
577.22662	13.2
578.22235	6.8
590.21326	43.8
591.21588	13.6
593.24139	11.9
594.24390	4.5
595.24835	3.3
607.21307	8.1
608.22150	3.8
609.23309	17.0
610.24011	2.9
621.23608	13.1
622.24042	53.8
623.24054	12.6
625.25983	2.6
637.26733	48.7
638.27100	16.5
653.26398	3.6
666.22797	2.2
669.29138	17.6
670.28821	5.3
681.25665	81.1
682.25995	20.3
698.25482	2.7
713.28229	100.0
714.28534	30.2
745.30646	17.7
746.31573	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	745.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.0
61.98820	1.2
67.57700	0.7
71.01367	0.7
72.74079	0.7
77.13495	0.7
79.76963	0.7
80.05058	4.1
96.95997	1.8
98.19823	1.4
104.05071	1.0
106.06645	6.3
108.04532	2.3
108.08172	1.0
118.06635	0.9
122.06138	6.3
130.06621	1.4
133.02986	1.4
134.06131	26.3
134.07166	1.5
135.04520	3.3
135.06451	1.7
136.07678	5.2
137.07918	0.8
146.06094	2.1
148.04034	1.6
148.07697	1.7
152.07170	5.9
158.06096	1.0
158.60652	0.8
160.04004	1.9
161.02452	4.6
162.05684	1.1
163.04033	1.3
174.05603	2.2
175.03940	0.9
179.03479	1.5
180.06689	6.6
186.05629	1.2
188.07143	13.7
189.07515	1.0
191.01756	1.0
194.08389	1.3
200.07190	0.9
209.02763	5.7
211.08762	2.1
213.10307	0.8
214.12369	1.0
214.21288	0.8
223.08734	1.3
224.22815	0.8
225.10312	5.7
226.11086	1.3
227.11902	4.6
235.08890	0.9
236.09613	0.9
237.10304	2.2
238.07596	0.9
239.08252	0.8
239.11884	2.4
241.09808	2.0
242.10492	2.4
243.10898	1.8
249.10306	2.4
250.07495	1.1
251.08195	1.9
251.11873	2.8
252.08977	1.4
253.01790	1.7
253.09802	5.7
254.10199	1.2
257.12909	8.9
258.13318	9.4
259.13434	2.2
263.08276	1.8
264.08978	2.5
265.09775	3.7
267.11261	4.0
277.09793	4.5
279.07703	2.5
279.11395	3.7
285.12631	1.0
291.07700	1.2
292.08517	2.1
293.09235	3.0
293.12543	1.1
294.10199	3.6
295.10837	27.4
296.11169	2.4
301.11945	12.1
302.12341	9.7
303.12476	5.6
305.09247	3.9
306.09879	1.5
307.10886	17.4
308.11389	1.5
321.08838	1.8
321.12473	1.7
323.10413	0.8
339.09671	0.9
358.15457	1.1
372.16891	0.9
374.18732	2.1
377.28616	0.8
398.14566	1.4
400.16571	2.9
401.16885	0.9
414.18134	3.0
418.18057	1.0
433.05988	2.7
440.16068	1.3
442.17740	11.4
443.18140	2.9
460.18671	2.8
468.15747	2.2
486.16855	3.5
499.49469	0.8
502.19861	40.1
503.20258	7.3
518.19415	1.9
519.19983	1.1
546.18805	100.0
547.19086	21.8
578.21417	49.6
579.21698	10.6
607.25757	1.4
614.59875	0.9
620.15399	0.8
651.25079	1.2
669.25299	2.8
675.62769	1.1
701.28101	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	745.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07873	0.8
59.01381	26.3
69.52110	4.9
69.52508	1.5
80.05064	2.6
94.06615	0.9
104.05066	1.3
106.06635	5.7
107.03745	1.3
108.04550	2.9
108.08187	1.4
122.06116	11.7
130.06621	2.0
132.04553	1.0
134.06122	29.1
135.06467	2.0
135.38779	0.7
136.07690	3.6
144.04428	0.6
146.06136	2.3
148.04047	1.4
148.07703	1.9
148.13414	0.6
152.07153	4.5
160.03998	2.2
160.07706	1.1
162.05580	1.6
173.04776	0.8
174.05580	2.9
180.06691	8.5
186.05609	1.5
187.06371	0.9
188.07184	15.8
190.05040	0.8
194.08260	1.2
211.08784	2.8
213.10272	0.8
217.34839	0.7
221.10896	0.7
223.08762	1.4
224.09532	1.2
225.10347	5.8
226.11060	2.2
227.11880	6.2
228.12465	0.8
235.08720	1.5
237.10281	2.4
238.07471	1.6
239.11923	2.8
241.13486	0.9
248.09532	1.0
249.10284	1.7
251.08293	2.4
251.11917	3.0
252.08974	2.6
253.09837	8.1
263.08160	1.3
263.12009	0.8
264.08926	2.1
265.09830	3.2
266.10413	1.4
267.11469	5.5
268.08597	0.9
277.09845	5.2
278.10492	2.8
279.07785	2.5
279.11359	4.1
280.08469	1.4
280.11777	0.9
281.09317	1.2
281.12900	0.8
285.12549	0.8
289.09799	0.6
291.07825	2.0
292.08597	2.6
292.11862	0.6
293.09207	4.2
293.12646	1.3
294.09940	2.0
295.10864	26.1
296.11255	4.1
305.09317	4.7
306.09854	1.6
307.10840	18.7
308.11200	2.9
309.12405	1.6
321.08853	1.7
321.12408	1.8
339.09488	1.1
358.15530	1.7
372.17569	0.8
374.19019	1.8
384.13443	1.2
399.15689	1.1
400.16602	3.8
414.18668	4.4
424.16568	0.8
442.17691	15.3
443.18118	3.1
446.17230	0.9
458.17255	1.4
460.18591	3.5
468.15527	0.9
474.20541	1.0
486.16507	5.8
487.16592	0.9
502.19855	43.4
503.20209	6.8
504.17944	1.3
518.19189	4.0
519.20197	0.9
546.18817	100.0
547.19147	21.8
550.21863	2.6
578.21411	44.5
579.21820	10.5
607.26300	0.9
651.25189	1.2
669.25275	5.0
701.28522	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	745.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49120	1.6
57.01961	1.7
59.01381	22.7
61.98817	1.7
69.37795	8.7
69.38216	5.5
80.05066	4.0
101.42416	1.5
106.06603	3.3
108.04539	3.2
122.06155	3.8
134.06122	26.9
135.25201	1.6
136.07727	3.1
146.06143	1.8
151.72960	1.5
152.07195	5.0
160.04065	1.9
174.05603	1.9
174.34583	1.3
180.06642	5.6
188.07172	13.9
210.88878	1.8
211.08803	3.5
225.10353	4.8
227.11862	6.4
237.10396	2.1
239.11823	2.1
249.10355	2.7
251.08269	1.9
251.11913	3.0
253.09828	6.2
265.09665	3.3
267.11313	4.5
277.09827	5.2
279.07727	2.3
279.11392	4.2
291.07797	1.8
292.08548	1.9
293.09537	3.1
294.10040	2.2
295.10840	22.8
296.11487	2.9
305.09268	3.3
307.10867	18.6
321.12341	2.2
372.16919	1.7
374.18561	1.7
397.13953	2.3
399.41016	1.5
400.16809	2.7
414.18124	3.5
442.17682	10.6
443.17773	1.9
458.17645	1.7
486.16382	2.9
502.19897	39.8
503.20370	7.5
546.18774	100.0
547.19092	23.7
578.21417	43.7
579.21918	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	745.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38260	2.4
59.01383	41.6
60.99314	3.5
61.98841	10.1
71.01385	5.7
73.02940	3.4
78.95890	2.9
88.98801	9.8
96.96014	10.9
98.19808	4.1
101.02441	2.9
101.58102	2.1
104.05054	2.1
104.94901	1.8
106.06625	8.4
109.02934	4.8
113.02448	2.2
119.05067	3.2
120.08114	2.7
121.03002	2.5
122.06123	9.5
127.12415	2.2
133.02950	15.0
134.06123	49.9
135.04503	16.7
137.55899	2.3
149.02438	2.7
152.99577	3.5
154.30467	2.3
161.02454	71.5
162.02759	5.1
163.04027	4.3
165.09221	3.0
179.03477	6.9
181.05037	9.5
197.04436	3.5
213.10382	4.1
253.09727	7.0
254.10541	10.9
266.10468	3.8
267.06598	9.8
267.11417	5.5
275.20181	2.1
279.10983	3.6
280.12122	5.0
285.12424	3.9
295.10812	5.3
298.09561	2.9
303.13449	4.4
305.09058	2.3
307.10663	2.6
311.05426	10.1
343.08310	19.0
344.08578	2.9
371.12564	2.7
372.13367	3.2
373.17831	2.9
377.48865	2.6
386.15210	12.1
400.16531	6.5
401.17419	40.5
402.17929	4.2
442.17734	2.7
445.16537	3.7
461.19763	5.5
466.36942	2.3
497.27518	6.5
502.19745	3.9
505.18484	17.2
506.18964	4.2
523.23395	7.8
546.18774	12.6
547.19116	3.9
567.22284	5.8
578.21161	8.4
583.24695	3.1
625.26703	4.2
627.24542	100.0
628.24908	26.8
651.24017	3.4
669.25873	9.6
701.29120	7.7
760.57837	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	1.6
59.01385	25.5
60.62148	1.1
61.98833	6.2
62.11145	1.1
71.01381	17.5
71.65499	1.6
72.99319	6.5
73.02935	1.5
73.26242	1.1
75.21971	1.0
81.03428	1.1
83.01398	1.7
85.02953	3.6
87.00870	1.5
88.95495	1.2
89.02451	21.3
93.03448	2.9
95.01399	1.5
95.05034	1.3
101.02423	9.1
108.02184	3.2
109.02941	3.7
110.55025	1.1
113.02427	9.0
119.03516	8.4
121.02967	4.9
122.03751	13.5
122.06110	2.8
123.04527	3.7
133.02959	6.8
135.04538	18.2
136.01646	13.4
137.02405	4.2
143.03488	2.3
145.02905	2.6
149.02431	16.2
149.41136	1.1
150.03224	88.8
151.00362	2.6
151.04024	15.6
152.01152	3.1
161.02446	23.1
161.04539	2.4
162.03235	10.0
163.03984	2.0
164.04820	2.6
165.05571	100.0
166.02721	10.2
166.05933	5.7
177.05663	5.9
179.03522	10.1
179.05608	3.6
180.04272	6.6
181.05055	13.3
195.06631	99.7
196.06943	5.2
197.04544	4.7
205.12335	1.4
353.07925	1.6
357.09689	1.8
357.13458	7.6
359.07764	4.0
372.12234	1.9
387.14444	25.8
388.14767	2.8
403.06787	1.2
475.11243	1.2
535.19647	2.4
547.19934	2.7
553.21088	2.0
564.41553	1.5
565.20410	1.6
571.91907	1.3
582.19653	1.3
583.21893	18.2
584.22174	4.9
701.26868	2.5
745.23682	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	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
71.01375	2.4
72.99315	2.3
90.11938	1.4
108.02171	3.3
109.02956	100.0
110.03298	3.5
119.05033	2.2
121.02959	4.7
123.04520	3.5
130.54379	1.3
131.04997	1.9
133.02948	10.4
134.03812	3.2
135.04552	14.9
137.02417	1.5
145.02930	7.1
146.03693	3.4
147.04535	10.5
151.04028	1.4
159.04526	27.8
160.04906	2.6
161.02458	10.3
163.04044	6.7
173.02419	6.0
174.03214	11.5
175.04002	6.9
177.01915	3.5
179.03479	11.7
191.03514	8.0
193.05017	6.6
194.05365	1.7
197.04617	4.1
202.02708	3.7
203.03485	23.3
204.03857	1.5
209.06189	2.8
225.05647	1.8
227.03445	2.3
227.07237	2.2
228.04083	1.6
233.06033	1.7
237.05602	9.4
238.06282	1.8
239.07199	2.0
240.03967	1.9
247.02531	4.1
251.06960	1.7
252.07870	1.6
253.05072	3.9
254.05894	10.5
255.06636	9.8
267.06680	7.9
269.08173	40.1
270.08484	4.6
283.06134	21.5
284.06387	2.5
285.07507	1.4
295.06116	2.5
302.40091	1.4
311.05603	60.9
312.05997	10.1
313.07150	27.1
314.07385	2.8
357.06143	63.1
358.06445	9.6
359.06952	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	745.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.1
70.16935	4.5
71.01373	3.5
72.99303	1.7
73.02965	0.9
82.38806	1.0
85.02940	2.1
89.02425	4.6
101.02435	2.9
108.02172	2.6
109.02953	100.0
110.03297	2.5
113.02444	1.5
119.03493	1.8
119.05023	6.2
121.02935	2.7
123.04478	3.3
129.03470	7.3
130.04286	1.3
131.05038	2.2
133.02945	6.9
135.04504	9.0
145.02959	8.4
146.03775	8.7
147.04521	79.2
148.04791	1.9
149.02397	1.1
151.04050	1.7
158.03735	1.9
159.04515	39.5
160.04900	2.1
161.02455	7.5
163.11240	1.4
169.45804	0.9
175.03999	4.8
179.03432	3.5
197.06161	1.2
199.07629	1.0
199.16214	1.1
203.03481	17.5
204.03967	1.0
207.10228	3.9
225.05533	1.4
227.03503	4.1
228.04021	2.8
229.04512	1.0
237.05603	1.6
239.07103	1.1
241.04919	1.8
247.02423	2.5
250.06227	1.5
251.07076	3.0
252.07825	2.5
253.04961	2.3
254.05760	4.3
255.06577	2.1
267.06650	4.5
268.07123	1.4
269.08185	79.3
270.08463	7.0
295.06012	2.7
311.05533	6.3
312.05783	6.0
313.07162	39.2
314.07489	3.9
357.06143	59.0
358.06549	7.2
359.07645	1.4
387.16592	55.9
388.16910	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	745.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
60.01732	0.5
61.01800	0.4
61.98831	100.0
62.98527	0.5
67.57365	0.4
70.97112	0.3
71.01381	3.0
71.66280	0.5
72.99300	4.0
77.68665	0.3
89.02431	2.6
90.02791	0.6
91.02850	0.4
93.03447	0.6
101.02451	1.4
108.02168	0.4
108.04546	0.4
108.91411	0.4
109.02962	1.5
113.02443	1.3
117.03461	0.6
119.03542	1.3
121.02998	1.0
121.05340	0.7
122.03753	0.7
122.06116	2.3
123.04547	1.4
125.73522	0.5
133.02971	2.6
135.04526	6.7
137.02461	1.0
143.97754	0.4
144.14937	0.4
144.42000	0.4
145.02975	1.7
146.03706	1.8
147.04520	1.5
149.02484	1.1
149.06053	1.1
150.03220	2.4
151.00500	0.4
151.04021	1.6
153.01949	0.5
159.04524	0.5
161.02455	6.5
161.04561	0.4
162.03122	0.7
163.04005	1.2
165.01965	0.4
165.05606	2.0
165.30760	0.4
173.02505	0.6
174.03235	0.5
175.04034	1.0
177.01941	0.9
179.03542	3.8
179.05634	1.1
180.03912	0.5
181.04999	0.5
190.02786	1.0
191.03574	0.7
195.06691	1.3
197.04567	1.5
199.39467	0.4
200.10779	0.5
200.29120	0.4
201.02016	0.7
205.05019	3.0
210.05585	0.4
213.06512	0.4
217.05043	0.6
218.04747	0.9
219.03040	0.8
223.08699	0.5
226.03860	0.8
226.07545	0.5
230.71341	0.4
237.10352	0.4
239.08287	0.5
240.10367	0.4
241.09843	0.7
243.07825	0.5
243.11340	3.4
244.11707	0.5
245.12982	0.7
249.14844	1.0
251.05728	0.5
251.08165	1.0
253.06192	1.3
253.09982	0.8
254.06815	0.7
255.07788	1.3
261.04016	1.1
263.05902	0.4
264.06705	0.6
265.06134	0.9
265.09900	0.7
266.06985	0.9
266.10672	1.2
267.04181	1.1
267.07709	1.6
268.08633	0.5
269.09332	5.7
270.09738	0.8
271.10910	1.5
279.05267	0.5
280.05087	0.7
281.05817	1.1
281.09351	4.0
282.06467	1.3
282.10034	1.9
283.10873	1.0
292.06058	0.8
293.06180	0.7
294.06375	3.3
295.07401	3.1
307.07278	0.4
309.08807	10.5
309.12225	0.6
310.09607	3.1
311.10339	1.2
313.08078	1.5
320.05759	0.5
321.06628	0.5
327.09186	1.5
335.22293	4.8
338.06967	0.6
341.07541	0.7
341.11356	3.5
342.12100	0.8
352.08380	0.4
353.07867	2.6
354.08606	0.8
355.09381	1.1
371.07660	2.7
385.10410	10.3
386.10971	3.2
387.11789	1.1
401.15359	0.5
416.09781	0.4
445.14154	1.7
471.12106	0.5
489.13333	1.3
507.14102	1.8
521.15771	1.1
533.12036	0.7
535.19995	1.1
547.13696	0.7
551.13312	1.4
565.14606	3.1
566.14581	0.5
583.15582	20.5
584.15912	5.1
631.68756	0.5
745.18671	6.1
746.19147	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	743.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76615	13.5
61.98817	56.0
62.98684	14.3
71.65554	26.3
78.95890	36.0
99.98592	15.8
102.82735	12.9
102.91334	16.1
110.23984	14.5
136.39354	15.1
152.99588	49.1
160.10211	16.2
193.39427	13.6
251.18561	13.8
253.21692	22.0
277.21594	15.8
279.23209	85.3
283.26202	19.0
290.42728	13.3
401.59900	14.6
507.27515	100.0
743.48676	47.0
744.49072	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	744.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46211	0.1
58.00593	0.1
59.01382	3.6
60.01715	0.3
61.01806	0.5
61.36544	0.1
61.98833	100.0
66.70154	0.1
68.40046	0.2
69.50126	1.1
71.01389	2.7
72.01727	0.6
72.99320	1.0
78.58782	0.1
78.59258	0.1
81.37455	0.2
83.01386	0.3
85.02940	0.3
87.00886	0.2
89.02444	2.8
90.02791	0.5
91.02885	0.3
93.03506	0.2
98.19858	0.3
101.02448	1.1
102.02845	0.2
108.02179	0.2
109.02979	0.5
113.02428	0.9
114.02819	0.2
119.03514	1.3
121.03931	0.2
122.06149	0.4
123.04594	0.2
133.02998	0.5
135.04539	1.5
137.02510	0.3
143.03529	0.2
145.02988	0.2
147.04527	0.3
149.02480	0.4
149.06071	0.3
150.03232	0.3
151.04010	0.5
160.04185	0.2
161.02461	1.9
161.04623	0.6
162.02881	0.2
163.04050	0.3
165.05746	0.2
169.01385	0.2
175.04039	0.3
179.03465	0.8
179.05650	1.2
180.05977	0.4
181.06136	0.5
195.06677	0.2
197.04550	0.4
205.05185	0.4
243.11452	0.7
245.12990	0.3
249.14922	0.2
251.08459	0.2
253.06306	0.4
264.06671	0.2
265.06210	0.2
267.04193	0.3
267.07809	0.4
269.09323	0.9
271.10919	0.3
281.06128	0.3
281.09406	0.8
282.06680	0.3
282.10086	0.2
287.10443	0.2
292.06186	0.2
293.05786	0.2
294.06384	0.8
295.07254	0.5
309.08823	2.5
310.09561	0.4
311.10477	0.3
313.08432	0.4
321.06616	0.2
324.05283	0.2
325.08655	0.2
335.22195	1.0
341.11575	0.6
353.07895	0.6
355.09402	0.3
371.07846	0.2
385.10358	2.1
385.14471	0.2
386.11322	0.4
387.11874	0.2
445.14227	0.3
481.74326	0.2
489.13226	0.2
507.14307	0.3
521.16089	0.2
547.13855	0.3
551.13037	0.3
565.15112	0.5
582.19385	0.2
583.15662	5.5
583.24414	0.3
630.71161	0.2
744.38226	0.3
745.18420	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	744.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.27480	0.2
61.98833	100.0
64.43791	0.2
67.17691	0.2
70.85735	0.3
70.86072	0.5
94.71503	0.2
100.38115	0.2
121.37690	0.2
243.41302	0.2
251.38550	0.2
284.26978	0.2
326.54584	0.2
416.29358	0.2
451.78021	0.2
463.31409	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	743.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
56.44194	0.6
57.03444	0.9
58.00585	1.1
59.01382	61.2
59.67799	0.7
60.01710	1.2
60.99295	1.2
61.98833	49.5
66.55219	0.6
71.01385	23.7
72.99316	2.4
73.02948	4.5
75.00892	0.7
83.01403	3.1
85.02957	6.6
87.00835	1.6
88.98821	6.9
89.02448	14.0
93.03450	1.0
95.01385	2.5
97.06544	0.8
98.19793	0.9
99.00885	1.3
101.02444	14.9
107.41520	0.7
107.95791	0.6
108.02183	15.7
109.02969	7.6
113.02450	9.7
114.97063	0.6
119.03486	5.2
119.05004	0.9
119.79418	0.6
121.02946	1.1
123.04504	0.8
132.02309	0.7
133.03015	3.5
134.06079	0.8
135.00882	0.8
135.04518	5.7
137.02422	2.2
143.03508	0.9
145.02930	0.8
146.06241	0.7
148.43341	0.8
149.02454	0.7
150.03214	1.9
152.01143	16.3
153.01945	9.6
161.02455	14.8
161.04495	1.0
162.02759	1.0
162.79808	0.7
163.04042	1.7
163.11261	4.6
165.05527	1.3
175.04082	0.9
177.01930	6.8
178.02383	0.9
179.03540	4.2
179.04904	0.6
180.03993	0.7
191.03557	0.8
193.12260	3.3
195.06619	0.8
197.04469	1.0
203.62738	0.6
207.10243	7.5
208.10599	0.9
211.13388	9.0
235.13322	3.4
267.06598	2.3
293.09305	2.8
305.09311	0.7
311.05527	2.4
315.07202	20.7
316.07449	1.4
339.07208	11.0
340.07727	0.9
341.08893	6.1
369.15588	1.8
373.18655	8.8
383.06131	7.7
384.06482	1.5
387.16605	11.0
388.16766	1.1
397.18521	1.0
401.07220	3.3
402.07925	0.9
427.56525	0.7
500.18573	0.7
501.18820	1.0
517.46307	0.7
521.33783	0.7
545.18158	3.4
577.20343	6.1
578.21094	1.0
743.34961	100.0
744.22699	1.5
744.35474	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	743.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03459	0.5
59.01381	100.0
60.01715	1.7
71.01379	10.4
71.01757	0.6
71.64183	0.7
72.99320	1.1
73.02959	4.6
83.01371	2.0
85.02956	5.3
87.00903	0.9
89.02448	2.1
91.55370	0.5
93.03474	1.6
94.03767	0.5
95.01403	1.4
99.00871	2.0
100.01210	0.5
101.02445	9.6
101.03078	0.7
108.02193	1.7
109.02981	0.8
113.02451	5.0
119.03506	0.5
122.02510	0.7
125.02477	0.6
130.54924	0.4
135.04547	1.1
137.02448	4.7
138.01967	12.4
139.02292	2.4
143.03551	0.7
148.28665	0.4
151.04060	1.0
159.03065	1.0
161.02527	1.0
161.04568	5.1
162.76630	0.4
175.04051	0.4
179.03534	1.1
202.27281	0.4
205.05121	0.4
207.06686	0.7
225.14963	0.8
229.01324	0.5
243.03207	0.4
269.10309	11.4
269.12961	0.8
270.10666	1.2
309.04242	0.5
311.11365	7.8
383.08026	1.4
387.20496	2.4
479.87943	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	743.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	97.3
60.01711	2.1
61.98834	1.7
68.99817	7.2
69.65997	10.5
71.01374	1.9
72.99302	3.7
74.30157	1.3
78.95840	1.5
80.05085	1.7
88.98800	1.6
96.04573	1.6
99.00886	17.4
103.00378	52.3
106.06643	3.0
107.03754	4.7
120.04576	1.8
121.05340	7.0
122.06128	69.2
123.06435	3.0
129.05865	2.9
133.03033	2.5
134.02550	1.8
134.06131	11.3
135.04489	3.4
136.07661	11.7
144.08203	15.2
145.05302	2.3
145.08438	1.7
146.06120	3.9
149.02382	1.4
158.06123	2.1
159.06868	1.7
160.07713	2.7
161.02457	9.1
161.04726	3.5
172.07648	16.6
174.09242	6.2
179.03496	3.6
180.16658	1.5
189.14282	1.6
191.89922	1.4
197.04552	2.2
198.07903	2.5
204.06824	1.5
204.10394	9.4
211.08754	3.5
213.10333	6.8
225.06696	1.8
226.07455	10.6
227.08064	3.7
229.09769	3.7
231.09010	2.6
232.09697	2.6
237.10289	2.3
239.08281	8.9
240.08997	1.9
241.09808	96.3
242.10135	8.9
244.09738	2.1
249.09874	1.8
253.13448	10.6
255.07564	2.2
257.12970	2.5
259.10852	7.4
265.09720	2.4
267.07797	11.6
267.11057	1.5
269.04419	1.7
276.08768	5.0
278.10681	1.6
291.07840	1.5
291.11395	1.7
293.09320	4.2
294.10040	2.1
295.14478	22.7
296.14828	3.9
301.11935	100.0
302.12299	9.4
309.08774	3.1
321.08679	2.6
327.06268	2.1
327.09924	23.1
327.16888	1.4
328.10199	3.3
330.16168	3.1
339.13507	2.5
345.11011	2.9
353.15140	9.6
369.10800	3.7
371.16116	27.1
372.16907	6.7
384.17191	2.9
391.32855	1.4
397.13849	7.2
398.14484	2.7
398.19016	3.1
426.14917	2.5
519.24017	2.1
530.15936	2.1
546.19208	1.8
563.23029	5.7
577.20905	7.2
579.26062	4.7
605.23431	1.9
607.22150	5.8
623.25073	42.6
624.25653	8.0
639.24243	7.5
655.27484	3.9
657.25879	5.8
667.23889	7.3
699.26709	38.1
699.40247	2.4
699.44006	2.6
700.27118	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	743.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
60.94286	0.4
95.05019	0.5
98.19865	0.6
108.04511	0.4
120.04552	2.8
121.05352	1.8
122.06123	5.5
123.06441	0.4
132.04520	0.5
134.06140	2.5
135.06886	1.0
136.07684	10.6
137.08086	0.4
146.05983	0.3
148.07661	0.5
150.06900	0.8
161.02533	0.4
161.07185	0.7
162.05591	0.9
167.46831	0.3
171.11826	1.7
186.09175	0.6
189.10361	0.6
190.05067	0.7
198.09233	1.2
199.09978	1.9
214.07446	0.5
214.12360	9.8
215.12659	0.7
226.07330	0.6
226.94371	0.3
227.08217	2.4
228.09018	0.7
229.09857	2.9
230.09937	0.4
230.11905	3.4
231.12187	0.6
239.11760	0.5
241.09813	6.5
242.10606	15.3
243.10944	1.0
248.35988	0.4
256.12122	0.6
257.12955	80.7
258.13278	6.8
283.10806	0.5
300.11032	0.5
301.11932	100.0
302.12225	10.7
302.15567	0.6
337.12061	1.4
361.11719	0.4
397.14087	4.9
398.14270	0.4
495.36902	1.1
699.26184	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	743.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88853	0.3
59.01379	5.1
60.01779	0.3
61.98826	1.8
64.89764	0.3
67.01879	0.4
71.01370	0.4
72.99324	0.5
75.00865	1.1
75.50510	0.3
86.55601	0.3
95.05026	0.8
96.95996	0.4
106.06631	0.3
119.39739	0.3
120.04545	1.8
121.05357	2.4
122.06125	6.5
128.99376	0.3
134.06125	4.2
135.04512	0.8
135.06900	0.7
136.07681	11.0
145.02979	0.4
161.02420	0.6
161.07159	0.8
171.11806	2.2
172.07588	0.6
184.07716	0.4
186.09227	0.8
189.10333	0.5
190.05145	1.6
197.04584	0.3
198.09225	1.5
199.10081	1.7
207.44814	0.4
214.07442	0.6
214.12361	10.8
215.12663	0.7
226.07469	0.4
227.08269	2.3
228.08881	0.9
229.09789	4.2
230.09866	0.5
230.11893	3.7
231.12152	0.4
241.09810	6.3
242.10590	15.0
243.10924	1.2
256.12408	0.4
257.12949	81.9
258.13245	7.4
277.09833	0.4
301.11926	100.0
302.12274	9.2
337.11929	1.2
397.14035	4.9
398.14719	0.9
430.35419	0.4
535.14429	1.0
595.23584	0.4
627.24542	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	743.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07401	0.6
59.01374	3.5
60.07567	0.7
71.41196	1.1
77.28568	0.5
79.63751	0.5
83.22678	0.6
85.12675	0.7
111.10412	0.6
120.04564	3.3
121.05361	2.1
122.06114	6.2
134.06090	3.3
135.06862	0.9
136.07689	11.3
159.48308	0.5
161.02524	1.0
171.11812	2.2
190.05186	0.7
198.09238	1.8
199.09991	2.0
214.07437	1.1
214.12363	10.4
215.12642	0.8
227.08298	2.8
228.08922	1.2
229.09839	4.2
230.09888	0.8
230.11795	3.9
241.09807	9.0
242.10600	16.0
243.10942	1.2
256.12106	1.3
257.12958	82.2
258.13239	7.1
265.12833	0.6
300.11148	0.8
301.11932	100.0
302.12302	11.0
326.37949	0.8
337.11902	1.7
397.14032	4.6
398.14258	0.8
422.79382	0.6
486.58270	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	743.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97260	0.3
59.01103	0.2
59.01378	3.4
67.01884	0.4
79.05541	0.4
81.75487	0.3
95.05045	0.4
97.60285	0.2
106.06665	0.4
106.94893	0.3
107.03799	0.6
108.04562	0.4
120.04544	2.3
121.05340	1.9
122.06122	5.6
122.93575	0.3
132.04495	0.4
134.06129	3.8
135.06940	1.0
136.07687	10.3
137.07976	0.3
145.38329	0.3
146.06148	0.3
158.02481	0.4
160.93500	0.3
161.07217	0.9
162.05582	0.6
162.99086	0.3
166.82434	0.3
171.11803	2.1
172.07669	0.3
186.09232	0.7
190.05144	1.2
198.09280	1.8
199.10059	1.5
213.06651	0.3
214.07446	0.6
214.12354	11.9
215.09596	0.4
215.12695	0.6
225.06627	0.4
226.07381	0.8
227.08221	2.1
228.08968	0.8
229.09781	4.1
229.11801	0.4
230.11887	3.3
231.12170	0.4
239.12016	0.4
241.09808	6.8
242.10591	14.3
243.10875	1.5
256.12103	0.7
257.12949	82.4
258.13232	7.1
283.10760	0.3
300.11118	0.6
301.11926	100.0
302.12247	9.6
334.94205	0.3
337.11957	1.2
388.71146	0.3
397.13986	4.9
398.14279	0.7
699.26880	0.3
752.76843	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	743.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13868	0.5
59.01122	0.8
59.01382	7.4
60.94703	0.6
68.57084	0.5
69.93094	2.3
71.01373	2.7
72.99319	1.1
73.02941	1.8
83.01388	2.5
85.02946	0.9
98.19919	0.7
101.02458	2.7
106.73439	0.5
109.02957	3.8
113.02442	2.3
119.27730	0.6
135.04585	0.6
143.05057	0.7
145.02985	1.0
147.04572	1.0
156.48128	0.5
161.04501	0.8
171.04485	1.3
173.02463	0.9
174.03212	1.8
175.02388	1.0
179.03473	1.3
181.06563	0.6
183.04454	0.9
193.06609	0.8
195.07982	0.6
196.05101	0.6
197.06107	1.0
199.04059	3.6
199.07681	0.6
201.01967	0.6
203.03441	0.9
207.10278	1.1
209.06161	3.3
210.03185	1.6
211.03960	7.6
211.07599	1.4
212.04659	1.2
221.06108	1.6
223.04018	1.3
224.04762	2.0
225.05515	2.2
226.02733	1.2
227.03502	40.7
227.07123	2.3
228.04236	20.0
229.04665	1.4
237.05586	2.9
238.06425	3.7
238.08408	0.7
239.03543	1.0
239.07036	3.5
240.04291	6.7
241.04993	5.4
248.04614	0.8
249.05524	2.0
250.06348	0.6
252.04391	0.9
253.04999	0.7
254.05887	1.7
255.06635	5.7
265.05005	2.0
266.05728	1.2
267.06659	7.3
268.07071	0.9
283.06107	6.0
293.04538	1.1
311.05615	100.0
312.05914	11.1
327.10837	0.6
355.04581	7.2
357.09866	0.6
375.53949	0.6
383.07700	0.8
387.16614	16.6
388.17117	2.0
594.71588	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	743.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29057	0.3
54.45647	0.3
59.01380	5.0
61.21986	0.3
69.60300	1.2
69.60709	1.1
72.99311	0.3
75.35157	0.3
91.05524	0.4
93.03461	0.6
94.72201	0.3
96.35658	0.3
98.19794	0.4
101.03986	1.0
103.05557	0.4
108.02171	1.1
109.02956	29.4
110.03294	1.3
114.58183	0.4
117.03470	0.5
119.05032	6.8
121.02946	2.8
123.04539	2.0
125.02514	0.3
129.03467	9.3
130.04218	1.6
131.05067	0.8
133.02992	0.7
135.04538	1.6
145.02960	8.7
146.03760	9.8
147.04524	100.0
148.04869	5.4
154.65761	0.4
158.03729	1.6
159.04512	20.4
160.04854	1.2
160.21913	0.3
161.02437	1.3
161.06122	0.5
179.03586	0.4
196.03749	0.3
199.07602	0.3
203.03464	2.0
213.09113	0.4
225.05583	0.4
225.11327	4.1
251.07150	1.3
252.07826	1.1
254.05769	0.7
255.06628	0.7
267.06516	0.4
269.08188	64.9
270.08527	6.8
313.07172	28.0
313.10190	0.6
314.07443	2.9
357.06180	2.7
383.07834	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	742.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45869	0.3
59.01393	0.7
59.59840	0.3
61.98830	100.0
78.95914	0.5
91.48705	0.3
115.41902	0.3
137.86311	0.3
152.99586	0.6
169.17188	0.3
197.93530	0.3
201.11328	1.8
202.11838	0.4
209.11813	3.8
210.12265	1.2
225.11089	0.3
232.68149	0.3
235.08276	0.4
253.21452	0.3
277.21747	4.7
278.22037	2.6
279.23233	0.5
282.25104	0.5
322.83478	0.3
412.74503	0.3
473.78232	0.3
526.26331	0.4
743.47278	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	743.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81580	1.0
55.28273	0.9
59.01384	10.2
69.48029	6.9
71.01379	3.2
72.99330	1.0
73.02942	4.2
81.52355	1.1
85.02962	1.2
89.02454	3.3
96.45708	1.1
98.20638	1.9
101.02441	2.9
108.02177	3.9
109.02956	100.0
110.03290	2.4
113.02433	2.1
119.05029	5.4
123.04572	2.3
129.03441	1.2
131.05035	3.0
133.02962	7.5
135.04526	9.1
137.02379	1.2
145.02960	4.5
146.03728	1.4
147.04495	10.0
151.03999	1.7
159.04514	31.9
160.04860	2.3
161.02431	4.2
161.04637	1.1
163.04080	1.3
173.02393	1.6
174.03113	1.8
175.04027	6.4
179.03491	5.6
199.07700	1.5
203.03514	21.7
204.03790	1.6
205.10397	1.0
209.06090	1.0
225.05539	1.2
225.11284	2.5
237.05460	2.9
238.06369	1.2
239.07001	1.2
239.09235	2.1
247.02490	3.3
251.07137	3.0
253.05153	1.8
254.05690	4.8
255.06480	2.6
267.06650	3.0
269.08173	41.2
270.08575	4.2
281.10330	7.2
295.06110	1.5
311.05655	2.0
313.07159	26.5
314.07532	2.5
334.51895	1.1
341.12253	7.4
342.12427	1.0
357.06149	75.2
358.06345	7.6
375.10504	1.4
383.07565	1.3
393.48755	1.1
396.93668	1.2
401.14429	1.5
423.95865	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	741.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01374	4.5
61.98832	10.9
71.01387	6.6
71.63319	1.9
73.70200	1.2
74.73709	1.1
78.95901	4.3
83.05035	3.4
89.02433	3.2
94.11671	1.1
97.02956	1.6
98.27751	1.3
101.02441	4.5
113.02455	2.1
125.09708	1.7
135.08218	1.4
152.99550	4.6
163.11301	4.2
171.10294	2.8
201.11324	34.2
202.11691	2.8
207.10179	1.8
208.10484	1.6
209.11833	85.3
210.12189	8.8
225.11372	3.0
226.11752	1.8
227.12943	10.3
235.08257	7.5
243.12349	1.8
253.09334	15.1
253.21547	1.7
277.21735	100.0
278.22058	15.0
337.95569	1.4
437.20279	1.7
445.20667	1.6
463.26114	1.4
499.79874	1.6
505.25549	5.7
741.43018	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	741.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51360	1.1
57.03433	1.7
59.01376	5.9
61.98829	21.4
71.01374	7.5
71.05013	5.4
73.02949	1.4
75.76701	1.1
78.95888	3.9
85.02946	2.5
89.02440	2.1
97.02950	3.3
97.06591	3.8
99.00885	16.6
100.59157	1.3
101.02435	2.7
107.41606	1.1
109.06577	1.3
113.02402	2.1
123.08132	1.5
125.09712	7.4
125.12836	1.2
152.99539	2.2
163.11288	14.0
164.11635	1.5
171.10252	4.6
181.12343	17.5
195.73293	1.2
199.13373	3.8
201.11273	1.5
202.30115	1.3
207.10262	19.5
208.10550	1.8
225.11299	27.0
226.11604	2.3
243.12331	11.1
253.09286	1.5
277.21780	7.1
279.23282	50.1
279.31754	1.7
280.23569	5.3
397.13553	2.5
436.57315	1.5
461.20212	3.0
479.21625	3.4
505.25702	4.9
512.49963	1.3
567.03406	1.3
655.62946	1.4
741.44324	100.0
742.32916	1.1
742.44556	27.3
759.59082	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	741.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85336	2.9
61.98807	3.8
66.45856	2.6
78.95905	31.9
91.58944	2.9
95.50955	2.8
104.99973	3.1
110.98571	3.0
111.78587	3.0
152.99580	41.2
191.75459	3.1
227.03157	5.2
229.63184	3.5
253.21773	29.5
277.21738	78.2
278.22095	6.6
295.22714	8.8
356.49359	3.5
437.15741	3.2
503.38364	3.3
505.25769	100.0
506.25888	14.2
599.39691	3.5
741.46985	31.1
742.47626	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	741.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.4
61.98831	27.1
71.01385	25.1
72.99305	4.0
73.02943	4.1
75.00840	1.3
78.95907	4.8
81.03455	1.4
82.35972	1.2
82.85975	1.1
83.01395	2.8
85.02946	3.6
87.00873	4.9
89.02446	20.6
95.01421	2.7
97.02958	5.0
99.00893	2.4
101.02440	20.7
111.04517	1.3
113.02469	8.7
115.23996	1.1
119.03497	5.8
125.02439	6.8
129.30109	1.1
141.01860	1.3
143.03481	3.8
152.99559	2.4
161.04532	4.6
171.10258	4.0
179.05594	4.8
179.86473	1.3
207.10095	1.4
209.11824	1.1
221.06630	1.2
225.11356	2.5
229.46817	1.2
235.08229	10.9
253.09077	2.2
257.70697	1.4
277.21649	3.6
279.23312	6.7
283.13089	1.4
283.26431	71.8
284.26813	8.4
287.07678	4.0
305.08804	3.5
397.13495	100.0
398.13751	9.8
404.46555	1.3
415.14505	27.8
416.14886	3.4
426.31308	1.3
463.20334	1.2
505.25403	1.4
681.40576	2.3
691.43567	1.4
741.43555	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	741.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.00597	3.5
59.01380	100.0
60.01724	1.5
60.76397	0.7
71.01385	54.8
71.05079	0.7
71.85229	0.7
72.99306	4.5
73.02950	3.5
83.01402	1.0
85.02948	7.7
87.00902	3.7
89.02448	80.7
90.02789	1.7
95.01353	3.5
101.02444	28.4
113.02454	25.7
119.03507	31.8
120.03866	1.1
123.04576	0.7
125.02416	1.1
131.03523	3.5
135.04518	3.2
143.03496	9.7
144.03926	0.8
147.04442	0.7
149.04588	3.1
161.02493	1.2
161.04562	13.2
179.03629	2.1
179.05614	49.7
180.06030	2.0
201.22951	0.7
213.50740	0.7
216.02765	0.9
226.02710	0.9
239.07736	0.8
239.21007	0.7
323.20251	0.7
381.06125	1.6
385.27740	1.6
394.26706	0.9
441.30093	1.0
449.25851	0.7
455.31854	4.9
501.32330	5.8
519.33246	91.5
520.33643	20.7
681.38647	0.9
716.67041	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	741.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.02195	0.5
57.03444	0.7
58.00596	4.0
59.01382	100.0
60.01720	1.0
60.05088	0.5
61.98823	1.5
69.30499	5.0
71.01385	68.2
72.01716	0.8
72.99309	4.7
73.02940	1.5
75.00890	0.8
77.44165	0.5
83.01404	1.3
84.39740	0.5
85.02956	11.1
87.00880	3.3
87.04528	0.5
89.02448	89.6
90.02794	1.1
90.32560	0.6
95.01401	3.6
101.02443	29.5
102.02806	0.6
106.74454	0.5
107.03513	0.9
113.02456	27.4
114.02801	0.6
114.11592	0.5
115.04013	0.6
119.03506	31.8
125.02429	0.6
131.03514	4.9
135.04526	0.6
143.03508	11.2
149.04565	3.8
161.04564	12.0
179.05614	53.2
180.05890	1.7
183.64470	0.6
300.18320	0.6
337.50140	0.5
389.26816	1.4
427.04770	0.5
457.33066	0.6
489.32434	2.5
501.32172	5.8
502.32211	1.1
519.33307	4.7
520.33478	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	741.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72019	0.7
55.01870	1.0
57.03446	0.8
58.00584	4.1
59.01380	100.0
60.01719	1.0
66.91368	0.9
70.20302	0.7
71.01383	55.7
71.05019	0.8
72.01738	1.2
72.99296	5.1
73.02954	3.4
75.00911	0.7
77.35900	0.8
77.53876	0.6
78.84753	0.7
83.01401	1.2
85.02952	9.0
87.00902	3.7
89.02444	77.3
90.02812	1.1
95.01379	4.5
98.19855	2.4
101.02446	26.6
106.79662	0.8
107.03511	0.9
109.05051	0.7
113.02454	24.2
114.02805	1.0
119.03498	30.0
123.04605	1.1
123.05893	0.7
125.02484	1.4
131.03510	4.3
135.04543	5.7
143.03502	9.3
149.04544	2.9
149.83827	0.8
161.02512	1.7
161.04553	10.6
168.75143	0.7
172.80112	0.7
179.05609	51.8
180.06015	2.0
381.06082	1.4
385.27625	1.1
455.31360	5.0
501.32303	4.4
519.33258	99.0
520.33600	17.3
530.73126	0.8
547.62256	0.8
741.41498	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	741.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.8
59.01381	35.1
61.98831	7.0
65.59296	0.6
67.65500	0.6
71.01389	15.8
71.04672	1.0
71.05029	11.5
71.62790	0.5
71.63171	0.7
72.05344	0.6
72.99296	1.8
73.02935	0.7
74.45264	0.7
85.02946	2.4
87.00875	0.6
89.02447	18.3
92.73080	0.6
95.01404	1.3
101.02441	7.2
109.02931	0.7
113.02449	5.1
119.03507	7.2
125.04607	0.6
129.47375	0.6
131.03516	0.8
135.04532	3.8
137.02460	3.4
143.03505	2.0
149.06064	0.6
151.04010	1.2
154.32129	0.6
161.02417	1.8
161.04541	2.4
164.55078	0.7
173.40805	0.6
175.73163	0.6
179.03531	2.6
179.05591	8.6
241.14572	0.6
263.59769	0.7
275.90079	0.6
303.21133	1.2
319.24283	10.0
320.24652	1.6
337.25308	0.8
351.01364	1.9
353.24844	1.0
366.03781	1.6
371.25842	0.7
381.06122	6.7
385.27560	5.0
405.26413	6.4
406.27255	0.6
455.31543	1.7
457.32883	0.7
501.32230	6.1
502.32660	0.8
517.31952	0.9
519.33215	100.0
520.33563	17.4
561.33972	0.8
681.38989	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	741.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41024	1.2
59.01382	100.0
60.01723	1.5
61.98832	22.0
69.40502	1.8
69.40907	8.3
70.59162	1.0
71.01391	22.9
72.99314	1.5
73.02948	9.5
75.00875	3.8
78.95897	1.1
83.01386	3.9
85.02956	8.1
87.00920	1.2
89.02461	8.3
90.17372	1.2
95.01393	1.8
97.07094	1.1
99.00880	1.9
101.02449	16.6
109.02961	4.0
113.02457	8.4
119.03512	2.3
121.02940	1.4
123.04522	2.5
131.03502	1.7
133.02942	2.2
135.02963	1.6
135.04538	13.0
136.03180	1.1
137.02423	2.1
143.03511	1.4
149.04543	2.4
151.03998	1.3
155.22174	1.3
159.04520	2.4
161.02429	4.1
161.04584	7.8
162.03192	3.0
165.05562	5.1
168.35760	1.2
175.03920	1.9
177.01894	1.8
177.05557	8.9
179.03459	3.6
179.05693	1.4
189.05524	1.6
197.04562	1.4
207.06604	1.6
221.04663	1.4
221.06494	1.5
239.05687	2.6
252.03705	1.1
257.16400	1.1
289.16577	1.6
295.06064	1.5
307.17609	13.4
339.05054	1.9
349.18680	14.6
350.18970	1.3
408.29593	1.1
411.16437	1.9
456.32178	2.5
457.32370	1.9
501.31680	1.4
517.31604	3.7
518.31818	7.7
519.33014	18.7
520.33081	3.9
651.23370	5.3
697.38037	4.1
751.17963	1.2
770.38354	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	741.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01726	1.1
61.73264	0.9
61.98820	4.4
70.15164	3.5
71.01385	10.2
72.99309	1.1
73.02943	2.9
83.01407	2.0
85.02972	4.5
89.02444	2.7
95.01344	1.5
95.20020	0.9
99.00884	1.1
101.02449	7.6
113.02415	4.6
119.03487	1.4
135.04521	1.9
138.06041	0.8
149.09737	1.2
150.06805	0.8
161.02437	2.8
161.04575	2.7
162.06857	20.6
163.07593	1.9
173.68913	1.0
175.07678	1.0
177.09212	17.3
178.09612	1.2
179.03564	1.2
197.11748	1.8
223.13548	1.1
300.71277	0.8
310.22211	1.0
333.69583	0.9
445.22382	0.8
457.33231	3.6
459.29599	2.6
519.32416	0.9
601.37427	11.8
602.38147	2.2
603.22302	1.4
619.38519	8.3
620.39459	1.9
655.40601	1.5
661.39343	20.0
662.40015	5.4
679.40497	1.2
697.41516	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	741.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.0
61.98819	4.0
63.02386	3.0
65.00339	1.1
70.05891	3.0
71.01376	3.2
72.99307	1.3
73.02969	0.8
76.41132	0.8
83.01382	0.9
83.04988	0.8
85.02950	1.9
89.02433	0.9
96.96010	0.9
97.91913	0.7
99.00867	0.8
101.02460	2.2
105.01936	3.6
107.01353	1.3
113.02466	1.3
133.02974	1.3
134.06160	0.9
135.04507	2.3
137.06047	1.0
143.05046	2.6
145.02953	1.1
149.02477	1.0
151.07669	2.5
152.99600	1.2
161.02423	2.6
162.06880	5.1
163.07550	0.7
165.07242	0.8
175.07620	2.0
177.09186	3.8
179.03537	1.4
209.06085	2.0
211.03981	0.9
253.05057	100.0
254.05397	8.2
270.46231	0.7
277.21890	0.9
287.76010	0.7
289.78851	0.7
334.92947	0.8
341.29166	0.8
356.10870	0.7
393.79181	0.8
407.32977	1.0
437.44421	0.8
487.34290	70.8
488.34628	12.8
503.33755	3.0
504.34308	2.0
590.71832	0.8
595.38812	1.3
653.38593	0.9
655.41095	1.3
697.41705	14.0
698.42139	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	741.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98837	22.3
71.01392	4.5
71.21191	4.0
72.99300	2.5
73.02947	8.6
80.05050	3.3
82.12086	1.6
85.02927	2.5
89.02486	2.9
101.02440	4.5
104.05145	1.8
106.06639	6.7
107.79282	2.0
108.04612	1.6
113.02469	2.6
116.92939	2.7
122.06127	3.6
133.02972	4.4
134.06114	20.4
135.04515	5.6
136.05319	2.4
151.07672	6.4
152.07219	3.1
161.02399	11.1
162.06866	16.3
163.07455	3.2
175.78488	1.9
177.09212	14.4
179.03479	3.5
189.59563	1.6
190.05035	2.7
190.38914	1.6
194.08157	2.3
197.10858	1.8
209.11697	2.4
215.07118	7.3
225.10349	5.9
263.08255	3.7
264.08591	2.5
267.06747	2.7
277.09879	3.2
277.21591	3.0
278.10739	3.8
279.11401	3.0
289.01437	1.9
297.12463	5.0
299.14038	34.5
300.14554	2.9
305.09399	2.6
313.28214	1.9
316.14545	2.9
328.11081	2.5
337.11975	7.6
351.13486	5.0
367.12732	2.0
383.16107	13.6
390.17972	3.9
397.14288	4.1
426.14557	2.7
451.21536	2.0
458.17114	2.9
491.20966	3.5
509.25751	2.0
537.25238	6.4
563.22888	2.5
595.38519	3.1
597.27075	17.3
597.50262	2.0
598.27814	4.2
605.24091	26.8
606.24243	9.5
624.25854	3.1
637.26709	22.8
638.27002	6.9
655.40179	5.7
665.26270	41.3
666.26782	9.0
697.28937	46.0
697.40784	5.0
698.29279	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	741.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16477	1.6
59.01089	2.8
59.01380	50.0
61.98829	7.1
71.01386	4.4
71.63084	2.8
72.99308	2.7
73.02959	9.7
80.05046	5.4
83.01373	2.4
85.02937	1.9
88.98762	3.4
90.22896	1.8
92.05074	1.6
94.06600	1.9
104.05025	1.7
104.14902	1.5
106.06628	5.0
107.03799	2.8
120.08237	1.8
121.05325	2.4
122.06131	33.5
132.04543	2.9
133.02882	2.7
134.06108	22.4
135.04518	4.7
135.29073	1.8
136.05336	8.8
139.07622	2.6
147.08165	1.9
148.04008	2.7
151.07654	40.3
152.07164	40.2
153.07430	2.6
160.04059	2.9
160.06410	5.1
161.02438	8.5
161.04628	3.0
162.06882	29.4
163.07521	2.9
174.05547	5.2
175.07637	2.8
177.09215	24.7
179.03488	3.4
190.05051	2.7
193.08688	4.7
197.11760	2.4
213.10306	33.7
214.10544	2.4
215.07097	7.5
223.08762	1.8
225.10242	3.5
226.11124	3.0
239.11877	20.7
241.13495	16.4
242.13730	2.4
245.12941	7.5
251.11761	3.7
265.09802	4.6
267.11374	8.0
277.09726	1.8
285.12451	72.1
286.12753	6.6
293.09543	3.4
293.13000	7.7
295.10867	5.7
305.09320	2.4
313.11829	2.5
316.14706	2.4
323.10339	6.8
325.11777	2.1
340.14526	4.8
342.12515	2.4
343.12970	2.1
355.13074	3.5
356.13766	2.9
356.17694	2.9
357.14972	3.0
358.15594	19.7
359.15845	2.2
366.12604	2.6
369.14935	2.6
370.15695	2.8
384.13354	5.0
397.14023	1.8
400.16644	16.6
401.16904	2.4
404.22940	1.7
412.16623	6.9
413.16544	2.1
444.15598	2.0
459.29874	3.4
463.21310	2.0
509.21442	1.7
523.23413	7.7
524.24115	3.2
547.23132	3.8
565.24518	59.1
566.24652	12.2
573.21362	4.4
591.22333	12.6
592.22736	2.7
605.24219	1.8
609.23511	100.0
610.23779	29.5
619.38293	3.0
623.25049	2.9
633.23657	29.1
634.24133	9.0
637.39960	4.4
641.26099	62.0
642.26709	16.4
655.40277	13.1
656.40295	3.1
661.39600	2.9
665.26538	4.0
677.22180	1.9
697.41602	9.2
709.25226	3.8
743.75354	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	741.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22790	0.5
59.01381	100.0
60.01725	1.2
70.35075	1.2
71.01389	4.0
73.02963	0.9
79.83450	0.5
85.02981	1.7
85.43059	0.4
89.02482	1.2
89.64199	0.5
99.00887	0.8
101.02454	2.8
109.02973	0.8
113.02460	1.7
113.09167	0.4
121.02983	0.4
137.02499	0.6
139.11903	0.6
147.08192	0.6
159.02989	0.8
161.04594	1.7
215.89189	0.5
225.11319	26.6
226.11722	2.0
267.06729	1.5
269.10260	3.0
311.05740	0.8
311.11371	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	741.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79754	1.4
59.01382	84.6
61.98841	6.7
67.85400	1.2
68.99815	5.5
69.44157	3.0
69.44566	6.5
71.01386	4.1
72.70367	1.2
72.99316	1.4
73.02937	3.3
78.95886	2.1
83.04993	1.4
90.03522	1.6
99.00898	11.0
101.02415	2.3
103.00376	32.8
104.00712	1.2
115.87942	1.2
123.04553	1.7
126.87249	1.4
134.06171	1.7
135.04512	3.7
146.06145	2.6
149.59486	1.3
151.07657	4.3
152.99564	2.6
161.02432	3.6
162.06900	1.8
177.09210	2.4
179.03491	1.6
197.07016	1.6
213.10423	1.8
214.08615	1.8
226.07486	2.9
227.08267	1.6
229.09732	1.8
235.08740	2.3
236.09492	3.7
237.10126	1.9
239.08337	1.6
239.11909	6.1
241.09843	59.5
242.10112	3.9
249.10370	2.2
251.11899	88.6
252.12268	8.1
253.21643	1.6
255.23305	15.7
259.10919	4.9
263.11920	1.4
265.10056	3.0
265.13443	3.0
267.07748	5.5
275.09189	1.5
275.11792	10.2
277.09814	4.3
277.21729	5.6
278.10410	3.9
289.11874	2.4
291.11362	2.2
293.09933	0.9
293.12936	47.4
294.13263	5.7
301.11929	68.4
302.12241	6.7
309.08881	2.5
321.08902	2.1
325.15430	2.3
327.09802	9.1
328.10345	2.3
351.13461	16.0
369.14578	100.0
370.14859	10.9
381.10825	3.3
505.25903	5.7
561.21051	2.3
578.88055	1.4
595.38440	2.9
601.36792	1.6
605.20343	2.8
621.23114	6.2
637.22949	2.4
637.39813	1.9
655.24384	1.9
661.38702	2.2
665.22675	6.2
695.43170	1.5
697.25500	6.0
697.41711	2.3
698.25244	2.7
700.04553	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	741.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.3
60.99295	1.5
61.98832	2.0
70.65396	1.7
70.65724	1.0
71.01358	1.7
72.99310	4.9
84.30225	0.7
85.02991	1.1
88.98811	11.0
89.02455	1.7
90.03504	1.1
90.99187	0.8
101.02457	0.9
103.00352	2.4
122.06091	1.3
123.04495	0.9
133.02948	1.3
134.06099	4.4
135.04533	1.8
160.03973	1.0
161.02446	3.5
164.03645	0.9
177.09120	1.1
179.03404	0.8
195.10216	1.3
203.40660	0.8
215.07077	2.1
223.08858	0.9
237.10318	1.2
239.08252	1.0
239.11945	2.5
249.06664	0.8
251.08154	2.2
253.09616	0.9
263.08295	1.2
265.09760	1.1
279.07724	2.1
291.07764	1.4
291.11081	1.4
292.08575	0.9
299.11499	1.1
301.09885	0.8
302.12912	1.2
313.09668	1.1
314.09473	1.0
314.13025	1.6
315.13895	4.2
326.09570	0.9
327.10834	3.0
327.21689	1.7
328.10861	4.3
329.12363	1.2
330.09085	1.1
330.12576	1.3
331.10004	1.0
340.10843	1.4
341.12280	1.0
342.08838	1.8
342.12503	6.4
343.09485	1.0
343.13492	3.9
344.10379	1.0
344.14166	2.9
346.11935	0.9
346.15640	1.6
347.12753	1.3
351.10159	0.9
354.08841	3.1
354.12762	1.4
355.09369	4.2
355.13492	2.9
356.10446	7.4
356.14215	1.9
357.11209	3.0
357.15427	0.8
358.11954	4.8
358.15860	1.2
359.12662	1.7
360.13815	1.1
366.12817	0.9
368.10568	2.8
369.11444	3.5
370.11917	26.5
371.12613	9.6
372.13452	13.9
373.14047	2.1
382.08258	1.6
383.08682	4.1
384.09628	1.8
384.13669	11.7
385.10104	1.1
385.14359	7.4
386.10513	1.4
386.15125	22.7
387.15881	3.7
396.09384	1.2
396.13800	2.1
397.10385	1.7
398.11407	35.2
399.12103	18.6
400.12491	1.8
412.12973	13.7
413.13779	36.0
414.14548	100.0
415.14917	14.6
426.14520	1.8
428.15961	1.1
430.14417	3.7
431.14395	1.7
440.12289	1.0
444.15573	16.1
445.16403	32.6
446.10892	1.6
446.17136	32.7
447.17578	3.4
454.13947	1.9
455.14780	2.1
457.12646	2.9
457.33081	1.1
458.13531	42.5
459.13934	7.0
474.18164	0.8
489.15591	2.3
490.16159	22.9
491.16382	4.8
530.15326	1.0
561.21539	1.6
579.22491	3.7
589.33337	0.9
611.25507	2.0
621.23560	56.1
622.23810	13.5
647.21246	1.6
653.26056	8.9
653.37189	1.2
654.26813	2.4
655.24152	1.5
658.00604	1.1
665.22534	17.7
665.32928	1.5
666.22809	5.5
697.25250	11.4
697.41388	2.4
698.25580	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	741.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93431	2.5
59.01087	4.7
59.01383	83.0
60.01714	5.6
61.01797	4.8
61.98836	39.8
67.49142	2.4
70.38537	7.0
71.01383	10.9
72.99304	7.9
73.02934	3.3
75.00881	3.7
78.95907	4.5
85.02962	3.0
87.00874	3.6
88.98809	6.3
89.02428	3.0
93.20202	2.4
95.01398	2.3
96.96014	7.3
98.20463	2.7
101.02472	6.0
103.00400	7.4
113.02451	7.3
117.03471	2.9
122.06101	5.8
133.02953	9.7
134.06139	13.2
135.04561	16.7
140.24863	2.5
150.05632	10.2
150.06900	7.2
152.07195	3.0
153.95547	3.7
161.02483	24.7
163.07700	3.2
177.09312	2.5
179.03502	12.6
179.10716	3.8
197.04530	4.4
225.10352	5.5
235.94115	2.8
237.10356	5.5
250.07527	13.2
251.08017	4.3
263.08191	9.3
264.08929	3.0
265.09888	15.3
266.10379	3.0
269.04529	3.3
277.09778	4.0
278.06964	16.5
278.09912	2.8
279.07703	8.0
287.64960	2.8
291.07813	6.3
292.08569	3.4
293.09372	47.5
294.09949	5.2
305.09271	6.1
307.10522	4.9
311.05750	3.3
317.09476	3.3
319.07224	3.3
329.94809	2.8
331.19052	5.8
335.02011	3.6
337.08273	42.8
338.08887	4.4
341.12000	3.2
368.14072	3.9
370.15665	3.6
380.10220	3.8
381.11044	3.9
382.12006	6.7
394.11896	3.6
395.12207	2.8
396.13583	9.1
398.15179	4.2
410.10773	3.8
412.13016	6.8
424.12640	16.2
426.14291	4.0
438.14487	5.9
439.15353	7.5
442.13806	3.9
456.15811	7.4
457.15942	5.4
458.16571	3.5
470.13498	8.4
471.18127	4.7
492.34454	6.0
493.35236	10.8
498.16806	22.8
499.17435	33.6
502.16193	6.2
531.20081	8.4
542.15729	54.8
543.16418	100.0
544.16852	16.5
552.36334	3.2
574.18457	15.7
575.18933	80.6
576.19305	16.4
601.24408	2.9
620.37006	3.0
637.40533	4.8
680.40753	3.7
697.42120	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	741.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14134	0.8
58.69135	0.7
59.01383	23.2
61.98827	1.8
69.84116	4.3
71.01379	6.0
72.99302	1.1
85.02949	1.5
87.00871	0.9
89.02452	4.8
93.03463	1.4
101.02432	3.0
108.02178	2.1
109.02956	5.6
113.02476	2.1
119.03494	1.3
119.05009	2.7
121.02934	1.1
123.04514	2.5
123.31184	0.8
130.43483	0.8
133.02937	2.1
134.03728	1.2
135.04503	3.4
137.02428	1.7
145.02998	4.6
146.03751	14.9
147.04529	20.4
148.88423	0.7
150.03204	1.3
151.03944	1.1
157.02908	2.2
158.03758	1.4
159.04523	11.4
160.01581	1.2
161.02457	6.3
161.06099	6.1
163.03932	1.7
163.11258	2.4
173.02457	1.6
175.03975	2.5
179.03511	1.6
181.35757	0.8
185.02365	1.0
197.04475	1.1
203.03470	4.3
205.05110	1.2
207.10204	2.8
221.06041	1.1
229.01408	10.1
230.01727	1.0
237.05540	1.7
238.06267	4.3
239.07025	0.9
245.04410	1.6
248.04730	1.2
249.03613	1.6
249.06013	4.1
250.06340	1.7
252.04279	1.3
253.04837	1.0
265.05042	12.0
266.05826	32.0
267.06442	8.8
268.07254	4.4
276.04120	1.3
277.04932	3.4
278.05472	0.8
281.08191	14.1
282.08517	1.5
283.09668	5.9
293.04593	7.1
294.05301	16.4
295.05856	2.4
309.07681	16.9
310.07990	1.8
327.08707	1.3
337.03320	0.9
338.04123	1.0
353.06653	100.0
354.06967	13.0
369.15186	1.1
371.07480	1.2
387.16574	13.7
388.16867	0.9
394.16376	0.9
457.32895	2.2
519.32953	1.5
583.98773	0.9
619.20355	17.7
620.20844	2.8
697.25104	21.6
697.36743	2.6
698.25488	5.3
741.23987	18.6
742.24097	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	741.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10618	0.3
59.01373	0.4
69.64744	0.3
78.30899	0.3
83.01384	1.7
96.41521	0.3
100.01128	0.3
109.02934	0.6
143.05034	0.5
145.02922	0.3
155.04988	0.5
171.04539	1.4
181.06625	0.4
183.04469	0.8
183.08231	0.4
193.06599	0.6
195.04436	0.4
196.05322	0.9
197.06113	1.7
198.03253	1.0
199.04021	4.6
199.07674	0.8
200.04555	0.3
209.06033	2.4
210.03278	0.7
210.06746	0.5
211.04010	7.4
211.07504	1.6
212.04575	1.3
213.05614	0.5
221.06151	0.6
222.07024	0.4
223.04031	1.0
224.04788	2.4
225.05612	1.6
226.02719	0.6
226.06325	0.6
227.03496	41.9
227.07147	2.0
228.04224	21.1
229.04652	1.3
237.05617	2.7
238.06299	3.4
239.03546	0.8
239.07043	2.6
240.04282	7.3
241.05035	4.9
243.02969	0.4
248.04750	0.8
249.05585	2.2
250.06288	0.8
251.03430	0.4
252.04277	0.5
253.05132	0.6
254.05846	0.9
255.06604	4.6
256.07037	0.4
263.79880	0.3
264.04321	0.8
265.04965	1.9
266.05521	0.7
267.06595	6.3
268.06821	0.6
281.04504	0.5
282.05228	0.4
283.06097	3.1
284.06583	0.4
293.04449	1.2
311.05603	100.0
312.05945	11.5
355.04572	6.5
356.04968	0.8
706.96613	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	740.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.15036	0.1
61.98831	100.0
62.98553	0.2
65.54163	0.1
74.41279	0.1
76.48894	0.1
84.05425	0.1
87.65973	0.1
89.37466	0.1
98.19872	0.3
102.52741	0.1
170.80890	0.1
176.93478	0.1
178.02269	0.1
179.01337	0.1
234.22681	0.1
282.54376	0.1
331.33966	0.1
367.40314	0.1
519.33295	0.4
522.82898	0.1
679.50470	0.2
680.50568	0.8
696.38293	0.3
740.49335	1.6
741.49799	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	741.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00511	0.3
56.05398	0.2
57.02171	0.2
59.01106	0.3
59.01377	1.2
61.98833	4.2
63.99253	0.3
68.08251	0.2
69.44334	1.8
71.01379	0.3
71.17771	0.3
72.37382	0.3
75.00887	0.8
77.03963	2.7
83.05029	0.6
93.03471	0.6
101.02383	0.3
102.28558	0.3
121.02959	100.0
122.03295	4.2
137.02425	0.3
141.01762	0.3
163.11369	0.4
165.01932	71.5
165.12723	0.3
166.02293	2.9
171.10316	0.4
180.05801	0.7
181.06602	2.9
191.03510	2.1
209.11833	6.6
210.12167	3.4
211.12465	0.4
225.05560	1.5
227.12975	0.6
228.13303	0.3
235.08369	0.3
253.09312	0.6
254.09727	0.3
276.20602	0.5
277.21835	0.4
293.21252	2.1
294.21591	1.9
295.22037	0.4
313.07166	1.7
357.06146	10.3
358.06549	1.1
505.25977	0.6
553.92670	0.3
741.14606	4.3
742.15204	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	740.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76920	0.1
52.92651	0.1
54.18135	0.1
56.62228	0.1
57.35501	0.1
59.01373	0.2
61.98833	100.0
62.98535	0.2
70.22614	0.2
70.22997	0.6
70.55569	0.1
89.02446	0.1
98.19967	0.2
181.63458	0.2
197.11867	0.2
204.27881	0.1
209.11890	0.4
210.12248	0.2
211.13278	0.2
277.21680	0.2
279.23221	0.2
280.23740	0.2
281.24268	0.2
293.21252	0.2
294.21628	0.2
355.31848	0.1
356.28937	0.2
399.13965	0.3
400.14569	0.2
421.06192	0.2
426.01959	0.1
440.40790	0.1
448.45639	0.1
503.33447	0.2
709.38202	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	739.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.7
59.01374	7.0
61.98829	11.1
69.03461	5.2
71.01385	6.9
77.15231	1.4
78.95901	4.3
79.90684	1.7
89.02443	2.3
101.02441	5.1
113.02454	1.6
116.92865	1.8
123.08224	1.6
125.09744	2.0
127.34107	1.5
151.11215	2.6
152.99580	1.6
161.09677	2.6
171.10271	2.0
179.10760	7.8
187.88124	1.6
197.11823	44.4
198.12152	2.0
209.11804	3.1
225.16206	1.8
241.10808	1.9
253.09247	2.5
272.68311	1.4
277.21722	6.1
279.23297	75.6
280.23584	8.1
595.26569	1.6
739.42743	100.0
740.42981	27.2
769.93878	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58902	0.8
55.01865	1.0
57.03439	1.1
59.01385	7.3
60.08718	0.8
61.98807	2.6
71.01384	8.7
71.05013	2.7
71.14890	1.5
73.02954	1.7
78.95908	1.6
83.01368	0.7
83.05023	1.1
85.02934	1.6
87.00871	1.5
89.02435	2.4
90.92874	0.8
91.81415	0.9
95.05021	1.3
97.02949	3.7
97.06580	2.4
98.03224	0.8
99.00883	12.1
99.04515	0.8
101.02444	4.8
109.06586	2.2
113.02436	2.8
123.08151	2.5
125.09722	6.0
135.08174	0.9
142.02725	1.0
143.03433	1.0
145.05043	1.1
145.10217	0.9
161.04543	1.0
161.09621	1.1
163.11301	9.1
163.12532	1.5
164.11699	1.3
171.10263	10.5
172.10645	1.0
181.12352	11.5
197.11810	1.6
199.13411	13.8
201.11284	3.3
207.10262	30.2
208.10587	2.4
209.11835	0.9
225.11322	48.4
226.11603	4.3
235.08145	3.1
243.12387	8.1
249.18515	1.7
253.09245	6.9
256.47894	0.8
277.21710	84.4
278.22034	8.1
279.22818	1.0
443.18979	2.3
461.20248	6.8
479.20981	1.8
721.42126	5.9
722.42346	2.2
739.42694	100.0
740.29510	1.4
740.43024	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	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78876	0.6
55.01862	0.9
57.03435	2.2
59.01377	8.2
60.28040	0.7
61.98837	6.7
65.40424	0.7
69.03477	0.9
70.40820	0.6
70.41157	2.7
71.01384	8.0
71.05029	4.4
73.02934	2.0
77.69820	0.6
78.95914	0.9
83.01370	0.9
83.05050	0.8
85.02945	1.5
87.00879	2.0
89.02456	3.9
95.01397	0.8
95.05017	0.9
96.95991	1.0
97.02942	4.1
97.06612	3.3
99.00243	0.9
99.00885	16.2
101.02457	6.6
109.06570	1.6
113.02454	2.0
116.83749	0.7
119.03500	1.7
123.08128	2.5
125.02470	0.9
125.09743	8.9
135.08159	1.0
135.52621	0.8
142.02744	1.1
153.12810	1.3
158.36700	0.7
161.09653	0.8
163.11275	12.5
171.10262	4.4
181.10759	1.4
181.12331	21.1
182.12650	1.3
199.13448	6.1
201.11403	1.0
207.10262	20.4
208.10559	1.6
225.11316	28.7
226.11662	1.8
235.08224	2.4
243.12340	12.5
244.12636	1.7
253.09254	3.5
277.21729	38.9
278.21985	2.7
281.24863	9.8
397.13513	11.1
398.13611	1.9
415.14389	3.3
448.91110	0.8
461.20419	3.5
479.21423	4.3
480.21304	0.8
506.45895	0.7
532.64575	0.7
721.42279	0.7
739.42731	100.0
740.29736	1.2
740.42993	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
57.03426	1.7
58.00600	0.6
59.01381	7.6
61.98835	3.4
69.03451	0.5
71.01385	6.3
71.05025	2.7
72.99310	0.6
73.02959	0.8
78.95870	0.9
83.01384	0.7
83.05023	0.9
85.02924	1.0
86.92448	0.6
87.00871	1.0
89.02451	4.3
92.90054	0.5
95.01371	0.8
95.05022	0.9
97.02951	4.2
97.06586	2.7
99.00879	21.8
101.02433	3.0
109.06586	2.3
110.03735	0.5
113.02441	1.2
119.03522	0.8
123.08144	1.4
125.02392	0.6
125.09724	6.6
127.87807	0.4
135.08148	0.8
136.05318	1.0
142.02704	1.5
143.03487	0.7
149.81367	0.6
155.14453	0.8
161.04489	1.1
161.09679	0.9
163.11293	11.4
163.12650	0.6
164.11507	0.6
171.10254	3.9
181.12332	19.8
181.13922	1.1
182.12601	1.4
197.11786	1.6
199.13382	15.7
199.15250	0.8
200.06856	0.5
200.13666	0.8
201.11224	2.3
207.10255	32.1
208.10548	2.1
225.11313	48.6
226.11717	3.0
243.12357	28.9
243.14902	1.1
244.12706	1.9
253.09276	2.4
254.83841	0.5
277.21713	20.3
278.22086	2.8
281.24875	1.4
317.16138	0.8
365.07437	0.5
397.13336	1.5
461.20135	4.3
479.21347	11.3
480.21283	1.2
671.11237	0.7
739.42731	100.0
740.43018	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01381	4.0
61.98832	34.9
62.98536	0.3
63.99258	0.4
68.42033	0.3
71.01380	2.1
71.63107	0.3
72.99329	0.3
73.02925	0.5
75.00883	0.4
78.95895	0.3
80.02670	0.7
81.03470	0.9
83.01377	0.5
83.05024	4.0
84.02171	0.6
85.02956	0.4
87.00886	0.6
89.02431	1.8
95.05041	0.6
101.02451	2.0
109.06601	0.4
109.49394	0.2
111.08155	0.5
113.02442	1.1
115.04021	0.3
119.03539	0.6
125.06118	0.5
135.08188	0.8
161.02466	0.3
161.04556	1.0
163.11281	3.5
165.12877	2.2
171.10226	0.7
179.05659	0.4
179.14314	0.5
181.12344	0.8
191.10739	0.8
195.13899	2.5
209.11826	100.0
210.12169	7.6
211.13411	0.5
223.13371	2.2
227.12891	9.9
228.13298	0.5
235.08174	2.5
235.17113	0.4
239.12753	0.4
253.06609	0.5
253.09282	10.6
254.09528	0.7
275.20166	3.2
276.20465	0.5
293.21234	37.0
294.21597	3.9
318.18320	0.3
445.20688	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	739.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
59.01378	6.1
60.00237	0.3
61.78405	0.4
61.98832	14.3
70.84913	0.8
71.01390	3.5
72.99318	0.6
73.02937	0.4
73.96245	0.4
75.00887	0.5
80.02670	0.5
81.03473	1.0
83.01408	0.7
83.05029	4.1
85.02954	1.0
87.00885	0.8
89.02437	2.6
95.05037	0.7
97.02949	0.5
101.02433	3.1
109.75863	0.3
113.02446	1.6
114.79166	0.3
125.06125	0.7
135.04568	0.7
135.08127	0.5
143.03459	0.5
149.09634	0.4
150.06859	0.5
161.02454	0.9
161.04555	1.1
163.07629	1.0
163.11258	3.1
165.12860	2.1
167.10921	0.4
171.10243	1.8
179.14456	0.8
181.12396	0.7
191.10861	0.5
193.08701	0.4
195.13895	5.6
196.14459	0.8
199.13377	0.4
205.12366	0.5
209.11829	100.0
210.12167	5.6
211.13474	0.6
223.13399	4.6
227.12885	10.4
228.13336	1.4
231.21225	0.6
235.08243	2.3
235.17064	0.8
253.09280	16.7
254.09691	0.7
256.13199	0.8
275.20145	6.9
276.20404	0.6
291.19272	0.4
293.21234	79.6
294.21561	9.0
309.20862	0.6
334.05322	0.5
445.20963	0.4
446.21692	0.4
474.33368	1.7
475.34265	2.6
529.30621	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	739.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82457	0.3
54.34201	0.4
55.01877	2.1
55.89753	0.4
57.03437	1.5
57.84969	0.4
58.00595	0.9
59.01379	19.1
61.92504	0.3
61.98818	1.1
63.98788	0.4
66.76657	0.4
71.01383	17.8
71.66435	0.5
72.01677	0.4
72.99308	1.8
73.02948	6.0
75.00862	0.6
83.01385	5.5
83.05034	0.5
83.24432	0.4
85.02945	8.1
87.00880	1.3
88.98833	0.7
89.02440	6.1
89.31831	0.4
93.34649	0.4
95.01394	1.6
96.96012	0.7
99.00885	1.9
100.00673	0.5
101.02444	23.0
102.02820	0.7
107.05068	0.4
111.00872	0.5
112.37295	0.4
113.02454	7.2
119.03483	1.9
119.04950	0.5
124.28464	0.4
125.02483	0.4
129.85068	0.4
131.03459	0.5
133.02985	0.9
135.04544	2.4
137.02411	0.8
143.03468	1.7
145.02968	0.9
149.91425	0.4
150.28775	0.4
159.02986	0.8
159.04536	0.5
161.02455	3.7
161.04556	4.3
179.03445	1.3
179.05629	1.2
197.04552	0.7
266.05807	0.5
267.06726	0.6
267.72583	0.4
311.05731	0.5
353.06628	1.8
373.25455	0.6
375.26746	1.1
377.24738	0.5
387.27133	0.6
389.24680	1.5
391.26306	1.1
399.27390	0.4
401.24820	1.2
405.23306	0.5
405.28058	5.5
406.28195	0.9
407.25775	4.3
408.26093	0.7
417.27859	2.5
419.25861	2.7
420.26215	1.0
421.27365	1.0
423.29010	1.1
425.30798	0.8
435.29083	1.2
436.29205	0.5
437.30606	8.2
438.30948	1.9
439.28619	3.7
440.28702	1.3
443.31451	1.6
453.30054	2.6
455.31836	2.8
456.31915	0.5
469.29489	7.4
470.30032	1.2
473.32745	1.7
474.33664	0.4
485.29007	3.8
486.29099	0.7
487.30707	5.7
488.30603	0.8
517.31659	23.7
518.31976	4.2
599.35614	1.1
617.36975	1.3
631.34949	0.6
635.38025	2.6
636.38019	0.5
649.35791	1.3
679.36969	100.0
680.37262	24.1
739.41357	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	739.392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.6
61.11735	1.4
61.98832	11.0
64.22166	1.3
71.01385	9.8
72.99284	4.2
73.02936	3.3
83.01351	1.3
83.05052	1.4
85.02945	3.4
85.97839	1.3
88.98800	4.0
89.02449	2.0
96.96004	2.8
101.02441	6.9
105.01912	2.1
109.02928	1.5
113.02435	4.3
119.03439	1.5
119.04964	1.4
121.02974	1.2
121.31208	1.4
123.04540	2.8
133.02951	5.2
135.04526	7.9
135.08148	2.2
136.04694	1.4
137.02417	2.4
145.02913	2.1
149.02420	3.5
149.06039	4.7
150.06865	83.6
151.07187	4.3
161.02437	13.7
161.04492	1.9
162.06847	3.5
163.03931	2.4
163.07620	10.3
164.08391	16.0
165.08894	1.5
170.88364	1.3
177.09203	2.5
179.03523	6.2
179.10760	34.7
180.11142	2.4
260.93353	1.4
267.06540	1.5
275.53455	1.5
309.24310	2.7
311.05579	2.0
311.22253	17.6
455.31610	1.4
473.32956	3.4
474.32681	1.6
476.31396	2.3
490.33017	10.6
491.33740	37.0
492.34088	6.3
530.84619	1.3
606.44824	1.8
635.40759	2.5
636.41266	3.2
653.41797	2.5
695.40112	100.0
696.40424	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	739.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69420	0.5
54.45840	0.4
59.01380	7.6
60.99295	1.3
61.98812	0.7
71.01376	2.9
72.99310	0.7
73.02945	0.9
85.02942	0.9
88.98801	6.5
89.02456	3.2
89.79481	0.4
95.02544	0.4
99.00897	0.5
101.02436	1.5
113.02441	1.0
119.03516	0.7
135.04500	1.1
161.02480	1.2
282.18134	0.5
290.12686	0.4
308.25909	0.5
337.72717	0.5
407.29874	0.6
437.30481	2.8
438.30902	0.6
454.30301	0.6
455.31686	3.4
456.31781	0.9
463.04379	0.5
469.29797	0.9
499.30597	2.7
517.31683	100.0
518.32013	20.7
531.31671	1.0
549.32959	2.0
559.32721	5.4
560.33258	1.1
567.33917	1.1
568.33649	0.5
609.35376	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	739.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45080	1.3
54.18904	1.4
59.01382	26.1
60.99326	3.0
61.98827	24.8
71.01375	11.8
71.66281	2.1
71.76878	1.4
72.99310	3.9
73.02947	3.2
75.00878	7.2
83.01400	1.5
85.02965	3.0
88.98801	21.5
89.02444	10.6
90.73245	1.2
96.96014	2.8
101.02435	6.2
106.82427	1.2
109.02933	3.5
113.02474	5.7
116.92889	1.6
119.05035	4.4
121.03011	1.5
123.04527	3.4
133.02956	7.9
133.05328	1.4
135.04527	16.8
137.02472	4.8
145.02940	5.9
146.03658	2.5
147.04555	5.3
150.03197	2.1
151.04066	2.4
159.04454	2.8
161.02443	22.5
161.04509	2.3
162.02881	2.3
163.04010	3.8
164.04143	1.3
175.04001	2.2
179.03407	8.0
197.04636	3.2
199.49474	1.3
220.36676	1.4
227.03499	1.4
229.01363	1.6
244.56641	1.4
265.05142	2.4
266.05798	3.4
267.06705	4.6
268.07114	1.8
283.09756	3.2
309.07651	1.7
310.10873	3.2
311.05505	2.8
328.11890	2.6
329.23364	3.2
346.38760	1.4
353.06726	14.7
369.09698	1.6
383.07538	1.9
399.10818	1.9
407.29901	1.5
429.11963	2.3
437.30624	21.5
438.30862	4.2
449.27554	1.7
455.31793	8.9
491.28238	3.0
505.18546	1.8
517.31653	100.0
518.32062	19.3
559.24945	1.5
559.32819	8.6
677.36664	1.8
679.37000	31.4
680.37506	7.2
723.98560	1.5
739.24384	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	739.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
60.01711	0.4
60.99308	16.4
61.98833	2.3
71.01365	1.8
71.63269	0.3
72.99299	0.9
73.02951	0.6
75.00883	1.0
83.01373	0.4
83.04964	0.2
87.00883	1.1
87.61941	0.2
88.00404	1.2
88.39473	0.3
88.98806	100.0
89.02445	11.2
89.99141	1.0
93.03471	0.5
101.02450	1.3
107.05000	0.4
108.28959	0.3
109.02931	0.4
113.02440	0.7
116.92840	0.5
117.03484	1.1
119.05026	8.6
120.05353	0.5
123.04526	0.5
126.90529	0.4
133.02968	1.0
134.03641	0.4
135.04532	3.1
137.02457	0.7
145.02953	3.9
149.02458	0.3
150.03246	0.4
160.01669	0.5
161.02441	3.1
163.04024	3.5
166.62657	0.3
175.04001	0.8
179.03523	1.7
181.05110	1.3
189.09196	0.3
197.04575	1.0
243.19592	0.5
267.06696	0.8
298.35211	0.4
327.08643	0.6
387.24100	0.4
395.51831	0.3
405.24829	0.9
411.16736	0.9
447.25922	2.2
448.26047	0.4
470.37561	0.3
487.34299	0.5
489.13992	1.1
575.21051	2.5
576.21960	0.4
593.22620	0.4
594.22614	0.3
679.36694	0.5
695.42438	0.8
739.26147	1.1
739.39679	0.4
740.25549	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	739.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36174	0.3
52.26905	0.4
55.29286	0.3
59.01380	5.4
60.99306	0.4
61.98828	1.0
69.33632	3.1
71.01376	1.7
71.05016	1.0
72.99315	0.5
73.02915	0.5
73.13904	0.4
78.95915	0.4
83.05056	0.3
85.02953	0.5
88.98790	1.0
89.02445	1.7
95.08746	0.3
96.96019	3.1
101.02440	1.1
102.20159	0.3
106.04115	0.3
113.02461	0.7
119.03506	0.5
133.02988	0.6
135.04524	1.0
137.96422	0.3
149.02455	0.4
161.02461	1.8
170.61253	0.3
171.42932	0.3
178.32875	0.3
179.03519	0.9
197.04364	0.5
268.68268	0.3
304.30087	0.4
312.49994	0.3
377.28522	0.4
437.30600	4.8
438.31058	1.0
455.31818	3.6
456.32169	0.7
469.29630	0.8
499.30707	3.1
500.31097	0.5
517.31683	100.0
518.32037	19.6
518.40009	0.4
518.43823	0.5
559.32806	5.3
560.33191	1.2
572.13330	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	739.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
59.01380	15.5
60.99308	17.5
61.98830	8.2
62.69918	0.6
66.83619	0.6
69.03419	0.7
71.01386	9.3
71.63106	1.0
72.99305	2.9
73.02953	3.9
75.00865	2.2
83.01395	2.0
85.02956	3.7
85.03368	0.6
87.00889	2.0
88.00433	0.9
88.98809	100.0
89.02446	15.2
89.99151	1.8
93.03457	1.2
95.01384	0.8
96.96024	0.8
99.00871	0.8
101.02446	10.1
109.01706	0.7
109.02948	1.0
113.02445	4.9
119.03517	1.5
123.04559	1.1
133.02960	1.6
134.03816	0.7
135.04535	4.8
137.02420	1.8
145.02972	0.7
149.02440	0.7
161.02446	5.1
161.04585	2.5
174.58597	0.6
175.07515	0.6
179.03503	2.7
179.05554	0.9
188.28929	0.6
193.05087	0.9
197.04488	1.0
267.06638	2.9
292.41940	0.7
311.05591	0.8
387.16772	0.8
387.27173	0.7
401.24796	0.8
405.28143	2.7
407.25946	1.8
417.28067	1.0
419.26041	1.1
437.30637	2.9
439.28601	1.0
443.31555	0.7
455.31738	1.2
469.29819	3.1
473.32846	1.3
485.29071	1.6
487.30948	2.3
517.31641	10.5
518.32294	1.5
564.68378	0.6
607.03540	0.7
617.37244	0.8
619.38788	0.8
635.38409	1.2
677.38879	0.8
679.36975	42.4
680.37274	12.3
695.35205	2.4
739.25568	0.7
739.40027	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	739.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87354	0.9
59.01380	100.0
61.98824	4.0
62.37601	0.9
65.03361	0.8
71.01389	10.4
71.62441	0.9
72.99310	1.4
73.02939	4.8
75.00854	1.5
83.01360	2.6
85.02956	5.0
87.00863	1.3
88.98772	1.6
89.02438	2.8
95.01373	1.2
96.96008	1.4
99.00850	1.1
101.02450	9.5
103.00358	2.6
105.03432	1.1
113.02454	6.4
123.04453	1.1
125.02368	1.0
133.02986	2.3
135.04530	2.8
136.19966	1.0
145.02972	2.3
161.02448	8.1
161.04565	3.4
162.02846	1.0
162.06871	3.3
163.07622	1.2
166.71060	1.0
177.09160	1.7
179.03502	1.4
221.14992	1.0
252.74884	1.1
313.07224	1.1
319.57928	1.1
392.14261	1.1
455.31573	2.7
599.35724	11.9
600.36096	2.6
617.37183	6.2
618.37170	1.3
619.41626	2.0
635.41418	2.8
655.30591	1.0
659.37939	17.0
660.38318	3.7
679.42932	1.3
695.39587	1.2
758.32330	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	739.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
60.01711	0.4
60.99308	16.4
61.98833	2.3
71.01365	1.8
71.63269	0.3
72.99299	0.9
73.02951	0.6
75.00883	1.0
83.01373	0.4
83.04964	0.2
87.00883	1.1
87.61941	0.2
88.00404	1.2
88.39473	0.3
88.98806	100.0
89.02445	11.2
89.99141	1.0
93.03471	0.5
101.02450	1.3
107.05000	0.4
108.28959	0.3
109.02931	0.4
113.02440	0.7
116.92840	0.5
117.03484	1.1
119.05026	8.6
120.05353	0.5
123.04526	0.5
126.90529	0.4
133.02968	1.0
134.03641	0.4
135.04532	3.1
137.02457	0.7
145.02953	3.9
149.02458	0.3
150.03246	0.4
160.01669	0.5
161.02441	3.1
163.04024	3.5
166.62657	0.3
175.04001	0.8
179.03523	1.7
181.05110	1.3
189.09196	0.3
197.04575	1.0
243.19592	0.5
267.06696	0.8
298.35211	0.4
327.08643	0.6
387.24100	0.4
395.51831	0.3
405.24829	0.9
411.16736	0.9
447.25922	2.2
448.26047	0.4
470.37561	0.3
487.34299	0.5
489.13992	1.1
575.21051	2.5
576.21960	0.4
593.22620	0.4
594.22614	0.3
679.36694	0.5
695.42438	0.8
739.26147	1.1
739.39679	0.4
740.25549	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	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
59.74059	0.1
61.98831	100.0
62.05924	0.1
62.98537	0.2
71.01392	0.1
83.01456	0.1
89.02445	0.1
101.02474	0.1
209.11928	0.1
225.78436	0.0
229.33524	0.1
277.21899	0.1
278.22086	0.2
279.22552	0.1
280.22760	0.1
312.65811	0.1
375.54648	0.1
397.13757	0.1
398.13974	0.1
399.14212	0.2
400.14566	0.1
417.15488	0.1
520.72607	0.1
531.57373	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	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98833	100.0
62.98545	0.2
65.41387	0.1
65.72894	0.1
68.04572	0.1
71.01393	0.2
89.02441	0.1
90.39977	0.1
91.06088	0.1
115.94576	0.1
127.69538	0.1
162.48785	0.1
196.62785	0.1
209.11810	0.9
215.00259	0.1
216.25221	0.1
253.09341	0.1
277.21841	0.2
278.22272	0.1
279.22440	0.1
293.21167	0.5
398.13864	0.2
399.14114	0.2
423.15717	0.1
601.90411	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	737.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75103	0.3
58.02966	0.3
59.01381	15.0
81.03463	5.1
83.05025	14.7
84.08094	0.3
100.07655	0.3
108.04620	0.4
125.07166	0.8
126.05576	0.4
143.08275	0.9
146.49390	0.3
153.44727	0.3
175.84598	0.3
207.15002	1.1
224.17624	2.0
225.16090	12.4
225.18324	0.7
226.16393	0.6
242.18831	0.6
309.21854	0.8
324.26361	0.4
333.22946	0.6
341.29083	0.7
367.27283	1.3
433.31592	1.3
450.34335	1.0
451.32883	6.2
452.33292	0.9
476.32242	0.4
550.43317	1.2
593.43884	0.4
659.48761	1.4
660.48822	0.5
677.49677	100.0
678.50018	26.8
678.62024	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	738.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.6
69.45222	1.7
69.45643	0.6
71.01371	0.5
72.99310	16.0
75.00858	2.1
84.10032	0.3
85.02963	0.4
89.51618	0.3
97.02956	0.3
101.02498	0.3
107.05016	0.4
108.78138	0.2
109.02993	0.5
111.00897	0.2
113.02419	0.6
117.03549	0.2
118.09924	0.2
123.04529	6.5
127.00360	0.4
132.02170	1.1
133.02956	20.9
134.03412	1.0
135.04523	17.8
136.04863	1.1
141.01942	0.3
143.03450	0.4
151.04037	0.5
159.02982	0.4
161.02443	100.0
162.02774	5.6
177.02043	0.3
177.04413	0.3
179.03494	15.6
180.03819	0.8
188.08571	0.3
197.04553	21.5
198.04915	1.5
201.04099	2.1
223.02434	0.6
244.08490	0.3
293.70975	0.3
324.01657	0.3
359.07715	34.7
360.08066	4.3
416.50244	0.3
522.31073	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	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
57.03439	1.1
59.01379	6.6
61.98832	8.7
69.03456	4.8
71.01384	4.7
71.04324	0.9
71.04646	1.4
71.05015	1.9
73.02943	1.0
74.19620	0.7
77.68221	0.7
78.95904	1.0
83.01392	0.7
85.02940	1.3
86.89215	0.6
87.00893	1.6
89.02433	3.0
95.76652	0.7
97.06583	1.1
99.00845	1.0
101.02451	4.0
113.02426	2.1
117.96079	0.7
123.08136	1.6
125.09686	1.7
149.09674	0.7
151.11295	3.9
153.12930	1.1
161.04570	1.1
161.09674	3.9
169.12370	3.5
179.10786	7.7
197.11827	51.4
198.12125	2.7
223.09691	0.9
235.08243	1.0
241.10834	1.7
242.34970	0.7
253.09262	2.6
277.21719	60.1
278.22034	7.0
372.51331	0.7
459.18570	1.0
477.19305	1.5
677.30841	0.9
737.41150	100.0
738.41473	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	737.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37063	1.4
56.19720	1.3
59.01385	14.1
61.98832	4.1
71.01374	7.7
71.29324	1.3
71.63220	2.3
73.02966	1.8
80.02686	1.4
81.03465	4.0
83.05022	3.4
85.02949	2.3
89.02461	4.3
90.89758	1.2
92.56500	1.6
97.02974	6.5
99.00894	1.8
101.02443	7.2
109.06595	36.8
110.03720	2.4
113.02470	4.0
121.06622	3.0
123.04521	3.4
135.08138	4.6
142.02695	2.9
146.12503	1.5
159.81073	1.5
161.02467	2.3
161.04535	2.5
161.09698	2.5
163.11276	16.7
171.10298	3.8
179.10747	2.1
181.12346	3.5
189.09224	3.4
195.13895	6.6
196.14197	1.5
197.74773	1.4
197.84113	1.5
207.10271	100.0
208.10635	6.5
209.11865	7.0
223.13440	4.9
225.11336	36.4
226.11678	2.7
235.08247	6.1
253.09338	20.8
275.20096	10.0
279.23257	5.5
289.30078	1.7
291.19614	2.0
293.21249	84.9
294.21500	6.4
397.13660	3.2
443.19110	5.7
461.20187	13.2
462.20602	1.8
618.04724	1.4
719.40076	1.9
737.41205	33.8
738.41498	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	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
56.56080	0.5
57.03452	1.2
59.01385	6.0
61.98833	8.3
62.09292	0.5
64.22601	0.5
69.03455	3.4
71.01392	5.6
71.05023	2.3
72.32673	0.5
78.95845	0.7
83.05025	1.1
85.02947	1.5
87.00887	0.6
89.02435	2.5
89.50009	0.5
95.01403	0.7
97.06607	0.7
98.20615	1.2
101.02443	3.4
113.02460	1.8
123.08168	1.5
125.09748	1.7
133.90735	0.6
137.09637	0.6
143.66403	0.5
151.11273	1.6
152.99509	0.5
153.12802	2.4
161.04546	0.9
161.09737	2.6
161.10965	0.5
169.12241	1.0
179.10764	7.6
197.11824	85.9
198.12221	4.6
223.09679	1.7
241.10779	3.5
253.09244	3.0
277.21701	26.7
278.22134	3.2
279.23383	0.5
293.03021	0.5
324.65121	0.5
367.39920	0.5
459.18692	1.6
477.19760	2.7
613.49872	0.6
737.41144	100.0
738.41467	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	736.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56118	1.5
59.01381	56.3
59.87960	1.6
61.98825	5.5
69.65353	4.7
69.65762	5.4
71.01385	3.1
72.99334	1.9
74.55508	1.7
80.05080	6.0
89.02429	2.3
97.25459	1.5
103.91278	1.5
104.05054	2.2
106.06612	3.9
107.03800	6.4
108.50362	1.6
120.04493	1.9
120.08195	1.8
122.06121	35.1
123.06509	1.8
134.06102	9.7
135.04509	4.5
152.07179	50.3
160.03902	2.1
161.02455	5.8
174.05612	3.0
178.24294	1.6
179.03436	2.0
188.07150	4.6
213.10306	7.7
221.51897	1.8
225.10283	4.7
227.11874	1.9
237.10379	3.5
239.11835	9.0
241.13452	5.8
245.12956	7.3
249.10446	2.2
250.07368	2.2
251.11867	3.3
253.09837	4.4
265.09729	4.5
266.10443	2.4
267.11368	3.5
277.09833	2.7
278.06924	3.8
278.10532	3.9
279.07822	4.2
285.12427	23.5
286.12772	3.7
293.09311	14.7
293.12961	6.9
294.09985	4.2
295.10968	15.2
296.11414	2.1
306.09943	2.7
307.10858	3.9
313.11633	2.4
323.10342	5.1
325.11749	2.1
337.08194	9.9
339.09671	2.1
358.15631	7.7
398.14899	1.8
400.16608	9.3
412.16614	4.6
413.17462	2.0
417.16846	2.0
430.14026	2.1
431.18442	2.0
459.17899	5.9
460.18707	7.5
461.19083	2.3
463.17303	2.6
474.20734	4.0
497.28751	1.9
503.16855	3.9
504.17798	12.6
505.18097	2.5
515.30182	6.9
518.19672	9.4
550.21948	21.9
551.22394	4.9
565.24463	32.3
566.24719	6.2
597.27454	6.6
598.27728	2.4
609.23566	23.8
610.23895	3.8
641.26105	100.0
642.26514	22.9
673.28802	47.5
674.29108	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	736.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	50.5
61.98837	10.0
64.77862	0.8
65.40632	1.0
71.01396	4.1
71.65803	1.6
72.99309	2.2
80.05079	4.9
85.02954	2.0
89.02471	1.9
94.06638	1.4
94.08535	1.0
100.07072	1.0
101.02454	1.3
104.05062	2.2
106.06639	2.8
107.03751	4.4
113.02426	1.3
122.06133	31.9
123.04441	0.9
123.08572	0.9
124.07719	0.9
130.06664	1.6
132.04611	1.2
133.02960	2.6
134.03786	1.0
134.06139	8.5
135.04521	4.1
136.07744	1.7
139.02687	1.2
146.06160	1.6
148.04066	2.3
152.07173	47.4
153.07454	2.6
160.04062	1.5
160.06424	1.9
161.02458	5.9
174.05588	2.4
179.03510	1.9
180.06667	1.5
188.07191	5.0
190.05132	1.5
211.08669	1.9
212.09404	0.9
213.10338	8.9
225.10327	2.8
226.11002	2.7
227.11884	1.8
237.10381	2.0
239.11848	8.5
240.12341	1.5
241.13458	6.2
245.13039	6.3
249.10307	2.0
250.07285	2.0
251.08173	2.2
251.11957	2.2
252.08942	2.1
253.09825	4.0
263.08279	1.6
264.08850	1.1
265.09830	6.3
267.11359	2.4
277.09705	2.4
278.06982	3.4
278.10422	2.1
279.07709	4.4
279.11325	1.9
285.12473	19.6
286.12799	1.7
293.09323	13.2
293.12936	4.8
294.10080	6.0
295.10852	9.0
296.11136	1.4
297.12549	1.0
307.10919	4.4
309.12210	1.6
311.05679	1.3
313.11874	2.6
316.14539	1.3
323.10562	4.9
325.11920	2.4
328.10822	1.3
337.08337	9.7
338.08929	1.9
339.09811	3.0
343.13220	1.1
344.13824	1.3
344.18073	0.9
355.12988	2.2
356.17816	1.9
357.14981	1.9
358.15707	6.7
359.16028	1.9
369.11368	1.1
370.11877	1.2
384.13492	2.4
397.14099	1.4
400.16724	11.1
401.16980	2.7
412.16678	3.3
415.19690	1.1
416.16269	1.1
417.16656	1.8
418.17514	1.2
430.14050	1.9
431.18369	1.6
432.19382	1.8
444.15317	1.6
458.17422	1.3
459.17761	5.6
460.18802	9.4
462.16629	1.3
463.17380	1.8
474.20374	3.8
476.18866	1.7
485.76599	1.1
486.16928	1.5
503.16971	4.2
504.17776	11.0
505.18536	2.4
515.29889	4.6
518.19098	8.9
519.19598	2.7
535.19122	1.4
536.20490	1.6
542.48254	1.0
550.21912	24.6
551.22156	4.6
565.24579	26.5
566.24969	7.8
597.27368	6.4
609.23535	23.7
610.23376	5.3
635.37811	1.4
641.26160	100.0
642.26379	26.4
673.28778	47.1
674.28973	11.8
677.39307	2.1
696.28839	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	735.4325
Annotation	Bacoside A1
Peak:m/z	Relative Intensity
53.02674	0.7
59.01379	100.0
60.01715	1.2
61.98828	12.2
63.99229	1.0
69.40453	2.1
69.40869	3.5
71.01384	2.8
72.99313	0.9
73.02966	2.0
78.95914	0.8
83.01394	0.7
85.02958	1.0
85.07460	0.7
88.98817	1.1
89.02435	0.6
96.96005	6.9
98.95584	3.8
99.00842	1.2
100.20212	0.5
101.02448	2.7
113.02437	1.4
115.92105	1.9
116.92864	0.7
133.02959	2.3
135.04515	3.7
143.03520	0.7
145.02879	0.9
149.02519	0.8
150.03117	0.6
161.02472	6.4
161.04460	1.1
162.02721	0.9
179.03496	1.9
207.36258	0.7
209.11682	0.8
273.88177	0.7
313.33481	0.7
471.34787	92.7
472.35147	17.7
487.34552	0.9
507.57611	0.8
633.38092	1.2
691.40704	3.0
691.89484	0.7
692.40729	0.8
735.42285	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	735.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
58.00599	0.4
59.01375	5.6
59.73599	0.4
61.98818	0.8
63.65185	0.3
69.03455	2.2
71.01379	3.5
71.05005	0.7
73.02949	0.9
83.05032	0.4
85.02924	0.8
85.06592	0.4
87.00874	0.7
89.02438	2.3
95.05044	0.4
97.06583	0.3
101.02448	3.4
109.06565	0.5
111.08118	0.3
113.02431	1.5
115.67049	0.3
119.03527	0.4
125.09686	0.6
145.05016	0.6
149.09673	0.7
161.02351	0.4
161.04552	1.7
167.10794	2.7
177.12846	0.7
179.05673	0.6
179.10783	1.0
179.14403	4.2
195.13895	17.0
196.14380	1.0
205.12331	10.2
206.12625	0.9
211.13347	0.4
212.55530	0.3
223.13382	100.0
224.13716	8.7
225.15019	0.5
228.13658	0.4
231.76709	0.3
235.08215	3.6
253.09268	15.7
254.09666	0.9
256.13232	0.8
265.21674	0.3
269.41156	0.3
275.20129	4.9
293.21216	84.2
294.21545	9.1
441.21243	0.4
459.22351	10.8
460.22632	1.3
492.22116	0.4
499.34384	1.2
529.30231	1.1
698.35913	0.4
735.43463	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	735.4345
Annotation	Bacoside A1
Peak:m/z	Relative Intensity
59.01381	100.0
61.98834	31.5
71.01380	7.8
72.99291	3.2
73.02932	4.0
76.46738	1.1
78.78486	1.2
83.01382	1.8
85.02951	3.6
87.00868	1.3
88.98800	3.9
89.02454	2.8
97.02960	1.3
101.02447	6.7
108.80610	1.1
113.02436	4.9
117.80162	1.3
118.32149	1.3
125.02472	1.8
133.02953	4.5
135.04526	9.2
145.02893	1.8
149.02452	2.0
161.02446	12.4
161.04466	1.7
179.03534	7.2
209.11827	1.1
211.13585	1.2
471.34793	92.7
472.35077	17.4
615.37195	3.6
632.79077	1.3
633.38501	7.7
651.39661	2.2
675.40759	2.1
693.40210	2.5
748.15088	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	735.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.3
61.98825	1.0
63.79142	0.3
70.40348	1.0
71.01378	2.4
72.99297	0.7
85.02944	1.2
89.02454	1.4
90.78827	0.2
95.01392	0.5
98.20542	0.4
101.02448	2.8
106.13021	0.3
113.02456	2.6
119.03507	1.9
161.02502	0.4
161.04541	0.9
179.03503	0.3
204.74277	0.3
397.13965	0.5
421.31485	0.3
453.29672	0.3
469.33221	9.0
470.33633	2.7
487.27509	0.6
487.34314	8.7
488.34378	1.5
529.35345	100.0
530.35657	22.6
543.37091	0.9
571.35968	0.4
631.38727	0.3
633.36859	0.5
659.74451	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	735.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01720	1.6
61.98836	6.0
69.05419	0.4
71.01382	4.7
71.62840	0.5
72.99313	1.0
73.02949	2.3
78.73997	0.3
83.01401	1.0
85.02942	2.7
87.00883	0.8
88.98822	0.6
89.02457	1.6
95.01380	0.6
96.96056	0.7
99.00854	0.5
99.92609	1.2
101.02454	3.7
103.61288	0.4
113.02446	3.6
116.92860	9.4
117.01986	0.7
117.92900	0.8
119.03499	0.9
133.02972	1.1
135.04538	2.7
145.02995	0.6
151.71510	0.4
161.02423	3.6
161.04568	1.1
165.88231	0.4
179.03514	1.4
179.05812	0.5
188.64197	0.4
197.04564	0.9
212.59496	0.5
233.64519	0.4
248.63425	0.4
262.52811	0.5
267.06631	0.4
311.05405	0.5
374.72974	0.5
451.28821	0.9
469.29773	1.2
471.31015	2.0
487.34787	0.8
495.52866	0.4
513.28552	2.3
531.29517	0.7
573.31134	0.7
615.35333	11.5
616.35706	3.1
631.37994	0.6
633.36981	3.7
634.37329	0.6
659.34869	1.0
675.37451	15.6
676.37695	4.6
676.46558	0.4
677.35291	0.7
717.21985	0.5
735.40155	2.7
736.40228	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	735.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
57.21927	0.9
59.01380	67.3
61.77330	0.9
61.98841	10.8
69.03493	1.0
69.48278	5.6
69.48679	1.3
71.01382	14.3
72.99320	2.2
73.02943	9.3
83.01392	3.7
85.02968	5.6
87.00871	1.1
89.02425	2.0
95.01382	1.6
98.19884	1.7
99.00890	1.9
101.02448	12.4
113.02449	3.9
133.02928	2.6
135.04547	3.5
143.03441	1.2
149.02470	1.4
159.04460	1.1
161.02472	7.7
161.04567	2.3
162.02831	1.1
177.03864	1.1
179.03508	2.5
224.93198	1.0
267.06494	1.2
277.21545	1.4
284.29263	0.9
311.05447	1.1
471.34796	35.5
472.35028	6.3
485.36191	2.4
492.82742	1.0
506.30023	1.1
529.33813	1.3
577.40228	0.9
631.38562	3.4
645.40546	1.0
649.39380	1.2
691.40582	100.0
692.40936	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	735.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51090	1.9
55.11379	2.3
57.49596	1.9
59.01383	30.6
61.59349	2.0
61.98830	5.4
65.27296	2.0
69.42685	2.3
69.43001	19.2
71.01383	14.4
73.02953	19.2
78.20267	2.1
83.01368	2.6
97.02968	3.0
101.02433	18.2
105.51679	2.3
113.02432	2.7
123.85365	2.8
125.02418	4.7
138.84322	2.0
155.03502	3.4
161.02365	2.1
203.05557	2.4
239.76677	2.3
355.25650	2.1
357.29581	2.0
459.05280	2.4
487.34305	100.0
488.34778	17.5
501.35782	5.2
529.35095	14.9
738.67053	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	735.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70416	1.3
59.01378	100.0
61.98831	18.9
69.03461	2.2
70.93265	1.4
71.01378	28.1
72.99325	4.8
73.02949	25.1
75.00873	2.6
75.70527	1.2
80.31827	1.3
83.01395	8.6
84.95127	2.4
85.02959	5.2
87.00874	23.2
88.98800	4.7
89.02449	6.9
95.01421	2.9
98.66285	1.5
99.00883	5.5
101.02441	37.8
111.00926	2.0
113.02453	12.6
116.69279	1.6
119.03499	4.4
121.02993	1.3
125.02454	2.5
131.03477	2.1
133.02966	4.7
134.06171	1.5
135.04533	6.3
143.03471	5.4
149.02417	1.7
149.04587	3.7
155.03477	1.7
161.02449	12.3
161.04515	9.1
178.02721	1.4
179.03477	1.8
197.04633	1.8
203.05635	2.2
221.06636	2.8
267.06549	1.7
387.44312	1.7
437.30835	1.8
453.30139	9.6
471.31396	5.5
487.34274	91.9
488.28455	2.4
488.34686	18.6
501.35852	2.9
513.32715	1.6
529.35138	12.4
530.35638	4.1
531.36835	1.5
543.33362	3.4
615.35339	9.6
616.36340	2.3
631.38690	2.5
633.37653	6.7
675.37250	11.0
676.37921	3.6
691.41162	3.6
699.36694	1.9
709.09857	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	735.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92637	0.9
58.00589	1.3
59.01383	100.0
60.01735	1.4
61.98844	5.9
69.03472	1.1
71.01384	37.2
71.67138	0.9
72.99307	2.5
73.02952	50.0
75.00869	2.8
83.01391	10.4
85.02959	4.1
87.00886	1.1
88.98776	0.9
89.02453	7.9
95.01392	1.8
96.96003	8.0
96.96961	1.0
98.95608	4.6
99.00880	1.3
101.02445	44.7
113.02457	14.6
113.03204	1.5
114.02808	1.3
115.92071	1.8
119.03510	4.0
125.02428	1.5
127.54839	1.0
127.79302	1.0
131.03516	5.3
133.02951	1.3
135.04527	2.4
143.03503	5.1
149.04553	6.9
161.02451	2.8
161.04564	14.4
203.05545	1.9
221.06667	3.3
230.57585	1.5
253.29765	1.0
277.22372	1.1
291.20789	1.1
308.92764	0.9
407.29395	1.4
425.30872	1.6
439.28622	3.0
441.29773	1.4
469.29550	16.1
470.30130	2.3
471.34717	4.0
487.30490	46.2
488.31094	10.5
531.33063	1.8
538.84821	1.2
652.09052	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	735.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
59.01381	100.0
59.61602	1.8
61.32755	1.9
61.98833	4.1
65.26440	1.9
69.03457	2.2
70.25287	2.2
71.01384	25.7
71.63127	2.7
72.99324	2.6
73.02950	8.0
76.44967	2.1
81.03443	1.9
82.73028	2.1
83.01390	5.3
85.02943	15.7
87.00884	4.2
89.02440	4.6
89.73696	2.0
91.31205	1.8
93.37937	1.9
95.01399	4.0
95.50941	1.8
96.96009	10.9
97.02946	4.8
97.36392	1.9
99.00911	3.6
101.02442	15.6
109.02907	2.4
111.00754	2.0
112.01699	2.8
113.02435	16.5
116.92867	3.5
119.03493	2.8
123.04520	2.3
124.01635	2.8
125.02434	14.6
135.04506	9.5
137.02461	2.9
143.03471	6.6
145.02969	3.5
161.02423	11.5
161.04562	2.8
179.03488	4.8
197.04568	3.3
200.91551	2.2
201.96994	2.2
297.19400	2.3
383.24329	3.2
401.25323	3.3
443.22729	4.1
509.28085	2.3
527.28607	28.2
545.29736	85.4
546.29913	16.3
563.30945	30.6
564.30865	4.6
587.30438	8.8
605.31738	19.3
606.32343	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	734.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86912	0.1
54.18130	0.1
59.01382	4.3
60.01691	0.1
61.98832	100.0
62.98508	0.2
65.05460	0.1
69.48283	0.9
71.01395	0.7
72.99303	0.2
73.02947	0.4
74.04931	0.1
83.01409	0.3
85.02983	0.2
89.02435	0.2
96.96043	0.3
98.20629	0.3
99.13406	0.1
99.14137	0.1
101.02451	0.6
113.02434	0.7
114.69614	0.1
116.92854	0.1
117.03440	0.2
119.03526	0.2
133.02992	0.4
134.03813	0.1
134.91969	0.1
135.04538	0.6
145.03032	0.2
145.04648	0.1
149.02484	0.3
160.90565	0.1
161.02425	1.0
173.28569	0.1
179.03552	0.5
187.54353	0.1
197.04440	0.2
209.43336	0.1
267.06720	0.2
283.06046	0.1
360.70764	0.1
441.33688	0.1
443.35562	0.3
467.31744	0.2
468.32150	0.5
469.33148	0.4
475.34521	0.5
485.32611	0.2
486.33182	0.4
487.34320	2.3
527.33636	2.1
528.26111	0.2
528.34094	4.5
529.35278	6.2
605.40552	0.1
614.34143	0.3
680.83435	0.2
691.40900	0.3
735.39819	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	734.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
61.12248	1.0
61.98823	3.8
70.76893	2.1
70.77227	2.1
71.01395	1.1
72.99313	8.5
73.46390	0.8
75.12589	1.1
80.46374	1.0
96.95999	4.7
109.02950	3.4
121.02935	1.8
123.04507	3.7
132.01978	1.2
133.02950	18.1
135.03584	1.8
135.04530	20.9
136.04898	1.3
149.02469	6.9
150.03215	6.6
161.02448	100.0
162.02763	4.6
179.03494	14.9
184.87260	1.1
197.04536	16.0
201.49809	1.0
221.08357	1.1
267.06610	10.6
268.07004	2.3
275.52383	1.0
283.06152	1.8
311.05688	11.5
312.06088	2.0
313.07040	5.4
359.07697	42.2
360.08075	4.7
371.05276	1.2
487.30569	2.3
521.10413	1.3
534.00671	1.4
617.34906	1.1
671.13702	1.4
751.98328	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	734.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.6
61.98827	5.3
69.65980	2.2
71.01385	0.7
72.99307	10.9
75.82623	0.4
77.61333	0.4
84.19527	0.3
89.02481	0.4
93.03444	0.5
96.96016	0.4
101.02515	0.4
107.05051	0.4
109.02949	3.5
110.01378	0.4
114.39127	0.4
117.03401	0.4
118.95124	0.4
121.02952	1.4
123.04530	4.1
132.02164	0.7
133.02957	17.7
134.03439	1.2
135.04523	19.3
136.04852	0.7
145.02934	0.6
149.02446	6.9
150.03227	6.8
151.03955	0.5
154.52760	0.5
161.02441	100.0
162.02783	5.7
174.03268	0.4
175.48155	0.4
177.01953	0.5
179.03490	14.2
180.03857	0.5
197.04544	15.9
198.04903	0.7
237.05573	0.5
239.61519	0.4
249.05440	0.6
255.06660	0.5
267.06613	8.8
268.07147	1.3
283.06088	1.3
285.12363	0.6
286.12979	0.6
311.05640	14.4
312.06042	2.4
313.07202	6.4
314.07651	0.7
337.03732	0.4
357.06140	0.7
359.07712	42.3
360.08032	5.1
376.39209	0.4
447.11142	0.5
491.09912	1.3
521.10773	2.3
671.13855	3.2
672.14545	0.7
675.37189	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	733.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01942	0.5
61.98827	2.5
64.20601	0.5
71.12067	1.1
73.63383	0.5
192.93034	0.6
224.76357	0.7
239.72394	0.6
277.21652	4.5
407.33130	0.8
417.61316	0.6
455.35287	100.0
456.35660	20.5
456.42203	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	734.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
59.63255	1.0
61.98822	1.7
63.56072	1.0
63.66721	1.1
66.20185	1.0
69.34135	7.7
69.34563	3.6
72.99313	18.3
109.02961	4.6
117.03431	1.4
121.02950	2.7
123.04534	8.3
133.02957	23.7
134.03767	1.7
134.66693	1.6
135.04520	23.0
149.02467	6.5
150.03192	4.4
161.02444	100.0
162.02745	6.6
168.72453	1.2
173.02354	1.3
174.03139	1.6
179.03476	18.8
192.67787	1.3
196.67090	1.2
197.02815	2.3
197.04547	31.0
238.02992	1.5
249.05612	1.5
255.06750	1.9
263.20209	1.3
266.05893	1.3
267.06625	7.4
268.06894	1.4
283.06097	5.6
311.05560	18.8
312.05994	1.9
329.06729	7.4
330.07220	1.8
359.07706	66.9
360.08130	6.8
365.41406	1.5
372.98529	1.2
491.09799	5.2
509.10834	31.3
510.11328	5.1
521.10919	5.0
522.11633	1.8
547.98383	1.7
671.14191	4.8
672.13794	1.6
753.41449	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	734.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06240	0.6
53.15964	0.7
59.01379	1.6
61.98838	1.7
71.01371	0.7
72.99309	9.8
73.22503	0.6
80.76653	0.6
88.83788	0.8
109.02959	2.0
123.04533	4.6
133.02954	19.0
134.03726	0.7
135.04527	25.5
136.04889	0.9
149.02444	3.4
161.02443	100.0
162.02789	5.0
173.02507	0.8
177.01930	0.9
179.03506	16.5
179.05086	0.8
197.04555	17.5
197.06387	1.1
198.04875	0.8
250.06467	0.6
267.06546	6.6
283.06192	2.6
311.05609	15.6
312.06015	1.9
313.07169	2.6
319.86349	0.6
359.07724	48.7
360.08032	4.6
391.18924	0.7
491.09879	3.0
521.11328	0.8
671.14319	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	733.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19322	2.7
59.01382	100.0
61.98835	71.2
69.51743	7.1
69.52151	15.3
71.01390	15.7
71.58305	2.8
72.99295	3.8
73.02937	6.4
76.77989	2.7
85.02944	6.2
99.00884	3.6
101.02438	8.2
109.02966	4.0
113.02426	8.8
127.03960	4.1
133.02924	6.0
135.04532	17.5
137.02457	3.2
145.02985	3.2
147.04561	3.5
149.02440	3.7
161.02478	21.1
164.34973	3.0
179.03490	9.9
197.11794	8.0
207.10248	5.8
235.15242	8.1
235.65283	10.5
258.15436	32.7
258.65698	18.0
277.21707	5.9
387.21851	3.6
453.16736	2.8
469.33527	4.1
471.31036	3.8
473.32373	5.9
485.32956	6.7
495.82291	3.4
527.33606	19.5
528.34521	4.0
555.18677	5.3
587.21442	10.8
588.22205	4.3
629.36877	8.3
641.22473	34.6
642.23016	14.8
647.37830	7.4
659.23273	5.4
668.01270	3.5
673.25092	14.8
674.25415	8.4
689.39294	11.1
691.15741	3.5
733.26233	5.0
734.48004	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	733.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65660	2.1
58.03009	2.0
61.98831	7.7
65.98221	2.0
71.64440	3.5
83.98755	2.0
85.17758	2.1
146.27133	2.2
217.92262	2.4
225.95836	1.9
255.23390	3.0
277.21811	2.5
436.84503	2.3
453.33755	100.0
454.34052	22.2
542.22058	2.4
594.37457	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	733.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
55.68415	1.4
58.00588	3.3
59.01380	96.8
61.98834	10.9
67.37561	1.5
67.84648	1.4
69.03452	3.3
71.01384	46.5
72.99310	2.5
73.02949	70.3
75.00886	1.8
81.03444	1.7
83.01390	19.2
85.02947	4.8
87.00883	1.6
89.02441	1.8
96.96011	3.0
97.02937	4.0
98.19873	4.7
100.83855	1.5
101.02444	75.9
113.02451	13.6
114.31365	1.5
125.02444	6.0
131.03523	9.4
137.97089	1.5
143.03494	4.4
155.03459	5.2
161.02472	3.1
161.04538	7.5
203.05576	12.2
302.23877	1.7
334.10568	1.7
357.25848	3.6
365.12665	1.4
373.29080	7.7
389.28406	5.2
389.38336	1.8
391.26086	3.7
391.30515	3.4
393.31558	2.4
407.29550	22.9
408.29788	2.9
409.31024	4.7
421.31329	2.2
423.32675	2.2
432.26733	1.9
439.26407	2.6
439.32178	35.0
440.32498	5.8
441.33801	12.1
455.31674	2.5
473.32706	100.0
474.33035	20.4
485.32828	2.1
499.34393	25.8
500.34879	5.6
527.33698	38.0
528.34595	9.1
557.34692	5.5
569.34979	1.8
571.32526	2.8
580.32043	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	733.38
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50873	1.1
59.01380	25.9
59.65471	1.0
61.98830	53.2
70.65961	1.1
71.01385	14.0
71.10918	0.9
71.62455	1.1
71.62826	1.0
72.99323	1.0
73.02945	13.0
83.01392	4.3
85.02966	1.7
86.43549	1.0
96.96068	1.0
101.02438	11.7
113.02468	3.2
117.03311	0.9
119.03468	1.4
121.02991	0.9
125.02428	1.2
131.03464	0.9
133.03006	1.7
135.04515	2.1
143.03438	1.5
146.38715	1.0
155.03503	1.5
161.02437	4.1
179.03503	1.3
203.05556	2.0
213.71002	1.1
409.31168	1.3
423.27039	1.2
433.82684	1.2
437.30341	1.3
455.31616	14.7
456.31744	3.0
467.31805	1.4
469.32980	4.5
485.32715	51.1
486.32993	11.7
497.32852	10.6
498.32935	2.1
499.34387	4.0
509.33124	1.3
527.33765	100.0
528.34119	21.7
733.38739	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	733.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
55.68415	1.4
58.00588	3.3
59.01380	96.8
61.98834	10.9
67.37561	1.5
67.84648	1.4
69.03452	3.3
71.01384	46.5
72.99310	2.5
73.02949	70.3
75.00886	1.8
81.03444	1.7
83.01390	19.2
85.02947	4.8
87.00883	1.6
89.02441	1.8
96.96011	3.0
97.02937	4.0
98.19873	4.7
100.83855	1.5
101.02444	75.9
113.02451	13.6
114.31365	1.5
125.02444	6.0
131.03523	9.4
137.97089	1.5
143.03494	4.4
155.03459	5.2
161.02472	3.1
161.04538	7.5
203.05576	12.2
302.23877	1.7
334.10568	1.7
357.25848	3.6
365.12665	1.4
373.29080	7.7
389.28406	5.2
389.38336	1.8
391.26086	3.7
391.30515	3.4
393.31558	2.4
407.29550	22.9
408.29788	2.9
409.31024	4.7
421.31329	2.2
423.32675	2.2
432.26733	1.9
439.26407	2.6
439.32178	35.0
440.32498	5.8
441.33801	12.1
455.31674	2.5
473.32706	100.0
474.33035	20.4
485.32828	2.1
499.34393	25.8
500.34879	5.6
527.33698	38.0
528.34595	9.1
557.34692	5.5
569.34979	1.8
571.32526	2.8
580.32043	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	733.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57365	0.9
57.03432	0.8
59.01382	18.2
61.98841	7.5
69.43136	6.9
71.01390	5.0
73.02950	2.6
82.20085	0.7
83.01386	1.7
85.02947	3.4
87.00878	1.0
94.41447	0.8
98.20568	1.2
101.02445	3.7
113.02434	1.9
126.90307	0.8
133.02896	0.8
135.04536	1.7
136.04897	0.7
149.02386	1.2
158.42598	0.8
161.02467	4.6
195.70016	0.9
249.14943	2.5
277.21692	1.2
388.25659	1.0
485.32785	1.6
611.35345	1.3
629.36847	5.7
647.38110	2.7
671.38434	1.6
689.39069	100.0
690.39398	27.8
703.13239	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	733.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	6.7
60.31694	4.3
61.98826	16.5
68.37537	4.1
75.82903	4.3
78.91888	6.9
138.52914	4.6
143.83662	4.6
152.99513	4.5
161.02504	5.2
163.89668	4.1
184.31224	4.6
184.83470	4.6
229.15294	5.1
303.89316	4.4
403.84473	4.9
455.17136	7.7
457.18774	15.5
473.18277	8.7
485.18414	8.8
496.14001	10.7
511.15918	10.4
512.13525	20.0
526.14966	14.1
527.15900	14.3
583.18866	7.3
597.19330	5.5
614.20203	100.0
615.20551	53.0
616.21552	4.8
646.19812	13.6
673.20801	7.9
732.36816	4.8
733.23627	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	733.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25039	1.1
57.03436	1.2
58.00591	1.7
59.01381	100.0
60.01705	1.4
61.98839	9.8
66.66656	0.9
71.01385	33.5
71.62965	1.5
72.99320	4.1
73.02950	9.5
75.00903	1.3
83.01395	3.6
85.02953	12.3
87.00872	3.0
89.02444	18.1
91.02480	1.1
91.71774	1.1
93.03474	1.9
95.01376	2.6
96.96010	2.7
99.00878	1.9
101.02454	18.9
109.02953	3.9
113.01684	1.8
113.02455	28.0
117.03411	1.3
119.03500	6.6
119.05190	1.0
122.06094	2.1
123.04549	1.4
124.01656	1.8
125.02437	4.4
131.03477	1.1
133.02963	2.8
134.06079	1.8
135.04538	8.6
137.02440	1.7
143.03500	4.3
145.02953	2.4
149.02466	1.1
150.03214	1.4
161.02473	9.6
161.04520	7.7
167.46321	1.0
179.03500	4.2
179.05608	4.5
197.04562	2.3
221.06688	1.0
295.06265	1.5
311.05798	1.5
313.06870	1.3
339.04910	2.4
340.05325	2.2
359.07642	1.6
381.22937	1.7
507.26016	1.6
525.26819	10.3
543.28113	43.2
544.28479	7.2
561.29132	14.6
562.29651	2.1
585.29388	6.9
603.30493	8.6
604.30725	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	733.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.1
69.01612	0.3
69.03452	3.5
71.01390	3.1
71.65635	0.6
73.02953	0.5
83.01373	0.6
85.02938	0.8
87.00891	0.6
89.02451	1.5
95.01392	1.4
97.02951	15.9
99.00864	0.4
101.02457	1.5
109.02958	4.3
110.03299	1.4
113.02447	1.1
119.05004	0.9
121.02959	1.4
125.02444	100.0
126.02790	4.4
133.02954	0.4
135.04526	0.5
137.02428	0.8
145.02879	0.6
151.03960	0.7
153.05551	1.0
159.04536	1.2
160.04863	0.7
161.02435	1.2
161.04659	0.5
163.04041	1.3
179.03455	1.2
189.84749	0.4
190.24283	0.4
197.04486	3.6
199.17418	0.4
203.03664	0.6
203.05598	1.7
204.03857	0.5
211.05995	0.5
239.05586	0.7
245.06616	1.0
269.08240	1.1
270.08530	0.5
302.50937	0.4
313.07178	1.0
329.08789	3.4
330.09171	0.5
357.06036	1.9
358.06427	1.3
359.09973	7.6
360.10071	0.6
641.19965	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	733.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
65.00324	0.4
72.99306	9.9
77.03978	2.9
79.54552	0.5
80.12349	0.5
89.03976	1.3
89.49326	0.5
93.03452	1.8
95.05028	5.7
95.96444	0.5
105.03460	19.7
106.03832	0.7
107.05043	1.8
109.02960	8.2
117.03454	0.7
121.02973	2.7
123.04535	8.3
125.02438	0.9
125.03309	0.4
125.17899	0.4
132.02184	1.6
133.02957	100.0
134.03293	4.3
135.04526	12.4
136.04863	0.9
145.02983	0.8
149.02455	2.1
150.03217	0.7
151.03990	3.6
161.02444	63.9
162.02756	3.6
175.03975	0.4
177.01927	56.3
178.02281	3.6
179.03502	11.3
180.03893	0.8
193.01460	1.6
195.02971	5.7
197.04552	13.8
198.04922	0.6
211.07729	0.6
239.07190	1.2
250.06221	0.7
267.06589	5.6
268.06973	0.8
285.07767	0.6
311.05591	0.7
359.07721	23.8
360.08096	2.5
481.53033	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	733.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
69.71875	3.5
69.72282	1.9
72.99310	3.9
76.01924	0.8
83.81266	0.8
93.46816	0.9
98.20523	1.2
105.03452	2.0
107.05024	1.2
108.02146	2.0
109.02957	25.7
110.03286	1.6
121.02930	1.4
122.03754	1.9
123.04524	34.8
124.04831	1.8
131.05061	1.0
133.02029	1.1
133.02971	17.9
134.03569	1.2
135.04535	27.8
135.05582	1.3
136.04895	1.8
137.02408	5.3
145.02974	1.6
147.04543	2.1
149.02457	1.8
149.06012	1.3
150.03174	1.3
151.04008	100.0
152.04364	5.2
159.04535	6.7
161.02444	74.4
161.03508	1.3
162.02776	4.4
173.02461	1.9
174.03149	2.7
175.03932	2.4
177.01909	2.1
177.05579	2.2
179.03499	40.4
180.03810	2.9
197.04512	3.3
203.03456	5.8
213.04044	12.1
221.04613	1.4
227.03423	0.9
237.05685	1.9
238.05983	1.4
255.06551	3.0
269.08188	7.2
278.31995	0.9
283.05954	5.2
284.06381	1.1
295.05914	1.1
311.05542	15.4
312.05954	3.0
313.07166	27.4
314.07477	3.7
331.08282	1.1
355.04446	0.9
356.27777	0.9
357.06149	8.8
358.06693	1.8
359.07672	4.5
360.07956	2.0
375.07184	12.9
377.08707	1.5
709.72015	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	732.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81664	0.2
61.98831	100.0
70.86585	0.5
71.01412	0.2
78.22380	0.2
78.95978	0.2
80.66150	0.2
94.61228	0.2
137.92047	0.2
171.10255	0.4
204.10808	0.2
212.15002	0.2
218.15845	0.2
279.23322	0.3
280.23801	0.4
281.24115	0.3
291.74118	0.2
353.09058	0.2
368.30389	0.2
461.84021	0.2
706.37897	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	733.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
69.71875	3.5
69.72282	1.9
72.99310	3.9
76.01924	0.8
83.81266	0.8
93.46816	0.9
98.20523	1.2
105.03452	2.0
107.05024	1.2
108.02146	2.0
109.02957	25.7
110.03286	1.6
121.02930	1.4
122.03754	1.9
123.04524	34.8
124.04831	1.8
131.05061	1.0
133.02029	1.1
133.02971	17.9
134.03569	1.2
135.04535	27.8
135.05582	1.3
136.04895	1.8
137.02408	5.3
145.02974	1.6
147.04543	2.1
149.02457	1.8
149.06012	1.3
150.03174	1.3
151.04008	100.0
152.04364	5.2
159.04535	6.7
161.02444	74.4
161.03508	1.3
162.02776	4.4
173.02461	1.9
174.03149	2.7
175.03932	2.4
177.01909	2.1
177.05579	2.2
179.03499	40.4
180.03810	2.9
197.04512	3.3
203.03456	5.8
213.04044	12.1
221.04613	1.4
227.03423	0.9
237.05685	1.9
238.05983	1.4
255.06551	3.0
269.08188	7.2
278.31995	0.9
283.05954	5.2
284.06381	1.1
295.05914	1.1
311.05542	15.4
312.05954	3.0
313.07166	27.4
314.07477	3.7
331.08282	1.1
355.04446	0.9
356.27777	0.9
357.06149	8.8
358.06693	1.8
359.07672	4.5
360.07956	2.0
375.07184	12.9
377.08707	1.5
709.72015	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	731.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03461	0.5
59.01378	100.0
60.01709	0.9
61.98831	2.6
71.01384	10.3
72.99281	0.8
73.02946	4.2
73.53014	0.7
73.73266	0.5
81.03454	0.7
83.01388	4.3
85.02956	6.0
89.02444	1.4
95.01401	0.9
99.00886	1.7
101.02437	9.7
111.00866	0.9
113.02438	3.9
125.02446	1.0
143.03522	1.2
161.02429	0.7
161.04500	2.7
177.76404	0.5
182.27519	0.6
203.05646	0.7
222.76428	0.6
420.95770	0.8
423.32886	0.7
451.01544	0.6
467.31891	1.3
489.56677	0.6
509.32974	1.0
563.33673	1.1
585.37671	3.1
586.38611	0.7
611.35828	14.5
612.36475	4.6
629.36914	15.0
630.37384	3.3
671.38019	20.1
672.38245	4.2
730.98718	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	732.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
61.98831	100.0
62.98534	0.3
64.74664	0.1
68.77762	0.1
71.01398	0.4
73.02966	0.2
73.31107	0.1
76.28523	0.1
78.95908	1.0
79.95741	0.7
86.70113	0.1
94.98106	0.4
96.96011	13.6
96.96908	1.0
101.02441	0.1
112.64378	0.1
113.02470	0.2
117.90855	0.1
119.26166	0.1
122.88911	0.2
127.04020	0.6
139.07617	0.1
145.03017	0.2
145.18385	0.1
161.02489	0.4
229.23410	0.1
232.77800	0.1
263.21292	0.2
348.71103	0.1
423.33218	0.2
425.33649	0.2
457.33328	0.5
485.32968	0.2
688.40778	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	731.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14443	0.9
58.11023	0.8
59.01380	100.0
60.01720	0.8
61.98838	4.0
74.69674	1.0
75.81909	0.9
79.81440	0.9
98.20698	1.8
99.94292	0.8
102.75549	0.8
133.08521	0.8
194.62169	0.8
277.21658	1.1
345.87274	1.0
496.13950	3.5
510.15265	1.8
511.16281	1.1
539.15723	5.9
540.16193	2.5
553.17511	6.6
554.17291	2.5
584.19031	1.2
585.19574	2.8
597.20288	2.8
598.20789	8.5
599.21405	2.0
616.17944	2.8
630.19379	8.0
631.20251	2.5
657.21490	1.0
671.23663	16.2
672.23895	6.7
731.25696	79.4
732.12976	1.6
732.26031	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	731.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94971	4.7
59.01370	12.3
61.98828	100.0
63.37597	4.6
71.38895	4.5
71.65811	5.2
74.61855	5.7
78.95936	5.6
96.24069	5.7
117.51717	4.8
130.83165	5.0
147.37341	5.0
149.02463	4.9
161.02368	4.7
181.08707	48.4
186.00244	4.7
199.09839	6.2
199.15346	4.6
235.08163	9.8
253.09283	10.0
277.21695	65.9
278.21994	9.7
621.44116	5.4
731.37256	15.6
732.37390	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	731.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01383	81.2
61.98839	19.3
62.16604	1.3
69.03474	1.6
70.08565	6.9
71.01379	11.5
73.02934	4.6
79.95752	2.3
83.01382	2.8
83.05033	31.2
85.02961	6.0
85.46213	1.4
87.00878	2.3
88.98856	1.5
89.02461	1.7
94.98077	14.3
96.95996	2.0
99.00884	3.0
99.04521	3.5
101.02434	8.3
111.08167	1.9
113.02458	3.9
121.06570	2.6
122.03743	1.5
125.02454	2.3
127.04017	100.0
128.04343	3.9
133.02951	1.7
135.04549	2.6
137.06062	5.8
139.07649	26.8
150.03294	1.6
161.02428	5.9
165.05560	20.8
169.35336	1.6
179.03494	1.7
294.78833	1.6
439.34238	2.8
499.32361	6.6
517.33795	5.5
537.98535	1.6
559.34943	2.5
577.35706	3.9
583.38403	14.5
601.39502	21.3
602.40082	6.4
643.40552	18.7
644.41064	2.3
669.38428	4.8
687.39563	36.2
688.39862	8.9
731.35101	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	731.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27740	1.6
59.01382	27.0
61.94629	1.8
61.98834	7.5
72.99312	3.2
94.06643	11.6
96.96031	2.4
101.02444	4.8
113.02447	1.7
118.06640	6.7
120.04566	2.2
120.08173	2.9
122.02499	3.1
122.06142	16.9
123.03264	7.2
133.02927	3.6
134.06114	9.7
135.04539	5.1
136.04008	4.5
138.05617	37.9
144.04594	2.6
146.06111	3.0
160.06436	6.1
161.02434	7.4
162.05632	17.2
174.05620	6.6
179.03508	3.9
188.07204	6.4
197.45383	1.7
204.06644	3.4
209.07535	2.0
210.07898	1.9
211.08922	2.3
213.10356	32.7
223.08766	2.3
225.10310	3.8
226.11067	2.2
237.10365	2.9
239.11916	36.3
240.12265	3.4
241.13480	16.2
251.11832	4.2
265.09857	2.3
285.12460	100.0
286.12784	10.2
293.12930	8.0
297.46039	1.9
299.10312	2.8
341.11493	2.7
342.12527	4.4
346.19211	5.6
354.16238	2.9
356.14130	2.7
357.14694	2.5
369.14377	3.3
370.15479	10.5
371.16333	2.2
372.17111	13.8
373.17285	2.3
382.12173	2.1
383.12625	2.2
384.13541	7.4
386.18829	2.2
397.14447	3.6
398.15002	7.6
399.15710	3.9
412.16742	13.6
413.17340	4.1
414.18225	48.7
415.18576	7.8
416.16092	4.0
456.15741	5.8
458.17267	33.1
459.17758	5.0
490.19739	5.3
491.20584	2.9
509.21906	2.5
533.22198	9.6
534.20990	2.9
551.22998	45.4
552.23358	11.0
569.23096	4.0
577.20679	4.3
578.19629	3.4
593.24237	4.8
594.23859	3.1
595.21930	59.9
596.22510	16.5
609.23694	6.7
611.25122	10.1
627.24585	15.9
628.24628	4.9
637.22955	3.8
638.22437	2.7
655.24097	10.4
656.24548	2.1
687.27594	2.6
699.26593	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	731.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
61.16501	0.6
65.00273	0.5
71.01392	0.7
71.37655	1.4
74.74267	0.6
78.81963	0.5
81.03442	0.7
83.52534	0.6
97.02949	1.8
108.02187	3.4
109.02953	100.0
110.03290	3.6
110.76336	0.7
117.03416	0.8
119.05029	2.3
121.02982	0.9
123.04504	2.1
125.02441	9.0
129.03525	0.6
129.84491	0.6
131.05028	2.2
133.02957	6.8
134.03708	0.8
135.04521	8.8
136.27870	0.7
137.02457	0.6
145.02959	2.8
146.03754	1.7
147.04506	6.3
151.04019	0.7
158.03775	0.9
159.04507	34.2
160.04903	1.5
161.02446	5.1
163.04015	1.5
167.62433	0.7
173.02466	1.2
175.04018	6.7
177.01880	1.0
179.03464	4.6
191.03465	1.2
197.06213	0.7
198.06810	1.0
199.07571	1.4
203.03488	21.7
204.03845	2.1
209.05956	0.8
212.04782	0.7
225.05431	1.0
227.07094	1.1
237.05516	3.2
241.08580	0.7
247.02528	3.4
250.06393	0.6
251.07057	4.2
252.07767	1.5
253.04993	2.0
254.05832	5.4
255.06679	1.0
266.05597	0.7
267.06686	4.5
269.08176	39.0
270.08603	4.1
285.07602	0.9
295.06143	2.4
311.05469	1.1
313.07156	22.5
314.07498	2.7
357.06143	79.9
358.06509	9.4
370.47067	0.6
475.69849	0.7
481.04413	0.7
709.40875	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	731.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	46.8
60.99300	10.1
61.98833	46.5
71.01373	5.3
72.99301	7.6
80.05053	8.3
82.68903	2.7
87.35422	2.7
88.98808	34.4
90.54706	3.2
96.96029	5.3
101.02448	5.0
106.06632	4.3
107.03754	3.6
109.02900	2.9
119.05022	7.4
122.06122	31.0
127.04003	8.9
133.02969	8.5
134.06131	11.5
135.04527	12.8
137.02386	3.6
145.02951	10.0
152.07164	44.4
160.06413	8.6
161.02435	17.5
163.04012	3.1
174.05655	5.5
179.03453	6.6
184.65990	2.5
197.04639	2.9
209.11891	3.9
213.10385	25.9
239.11934	14.6
241.13422	11.3
245.12877	9.2
267.06689	4.3
267.11572	3.0
285.12466	53.5
286.12744	9.7
292.80548	3.0
293.12894	7.7
295.10703	5.5
313.11862	4.1
323.10373	9.4
326.22208	3.4
355.12903	5.4
358.15451	25.1
359.16220	5.5
370.11707	3.3
384.13531	4.4
400.16678	14.6
412.16885	3.8
440.13455	7.9
523.23499	4.7
565.24548	61.6
566.24927	11.2
609.23541	100.0
610.23773	24.5
641.26221	47.4
642.26062	16.5
651.58032	3.1
655.25427	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	731.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88105	0.8
59.01371	3.5
61.90733	0.6
66.11508	0.7
69.48336	0.7
70.82089	1.6
70.82412	1.0
71.01392	0.9
72.99306	1.5
81.03448	0.9
93.03447	1.8
98.08949	0.7
101.02447	0.8
108.02172	2.9
109.02954	67.6
110.03293	3.7
113.02421	1.8
117.03506	1.2
119.05024	1.9
121.02956	3.9
123.04521	5.1
125.02469	4.0
129.03429	1.1
131.05002	1.1
133.02969	11.0
134.03496	0.7
135.04538	11.2
137.02458	10.5
139.04031	1.1
145.02957	8.6
146.03703	2.8
147.04520	4.9
149.02423	2.9
151.03984	6.2
158.03754	0.7
159.04517	14.4
160.04889	2.2
161.02454	12.7
163.03972	2.9
173.02432	9.9
174.03215	20.1
175.04033	7.4
176.04428	0.9
177.01932	3.5
179.03491	6.9
189.01904	1.9
191.03510	7.9
192.03299	0.6
193.01468	1.7
193.06593	0.8
197.06133	0.9
198.06889	1.1
198.36340	0.7
199.07632	1.3
202.02684	3.5
203.03488	12.6
204.03786	1.4
207.02965	2.4
207.55820	0.7
208.05211	1.0
209.05995	4.0
211.02315	0.8
211.07681	1.1
219.02827	3.4
221.06218	0.8
224.04723	1.7
225.05481	1.9
226.06189	1.6
227.07088	3.1
235.03973	1.9
236.04611	1.1
237.05589	9.8
238.06194	2.1
239.07137	1.0
241.05067	0.9
247.02415	1.6
253.05046	4.5
254.05829	11.1
255.06566	11.5
256.06903	0.9
264.04114	1.3
265.04950	4.4
266.05664	1.4
267.06586	4.0
269.05261	1.0
269.08176	16.7
270.08524	2.9
281.04510	2.9
282.05240	2.7
283.06122	39.4
284.06567	3.5
285.07648	2.8
291.03046	2.1
292.03555	1.3
293.04385	2.9
297.03961	1.0
299.05658	3.1
309.04144	3.5
310.04327	2.1
311.05603	100.0
312.05942	9.4
313.07193	9.5
314.07385	1.7
327.05008	0.8
329.06644	6.6
330.07031	1.1
339.26385	0.7
357.06158	32.6
358.06369	5.7
359.07001	2.7
373.05634	9.8
374.06094	1.6
573.35883	0.7
574.71484	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	730.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89318	0.2
59.01378	0.7
61.98832	100.0
89.57792	0.3
94.42712	0.2
98.20636	0.6
100.88669	0.3
129.41554	0.3
161.02505	0.7
161.88489	0.3
179.03549	0.4
184.50107	0.3
270.59653	0.3
339.09988	0.3
497.81723	0.3
524.18103	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	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.2
61.98834	100.0
62.98532	0.3
71.13371	0.2
82.76254	0.1
171.10318	0.5
172.10643	0.3
173.10719	0.2
209.11803	0.1
237.99789	0.1
246.05156	0.1
255.23430	0.2
257.76028	0.1
277.21808	0.5
278.22198	0.5
279.22412	0.3
413.20267	0.1
596.01093	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	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98542	0.2
70.79877	0.4
91.71394	0.1
105.06853	0.1
125.53424	0.1
152.45471	0.1
163.24930	0.1
171.10271	0.9
172.10603	0.6
210.97018	0.1
277.21698	0.3
278.22141	0.3
298.13480	0.1
346.95764	0.1
368.14902	0.2
675.40637	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	730.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
61.98830	100.0
63.99258	0.2
69.41744	0.4
69.42163	0.9
71.01389	1.0
72.99305	0.7
78.95934	0.3
85.02934	0.4
89.02458	0.5
93.03457	2.1
95.01334	0.2
96.96011	0.4
99.04539	0.2
101.02451	0.5
106.06650	0.3
108.02155	0.2
109.02975	0.5
113.02455	0.6
117.03506	0.3
119.03506	0.2
121.06744	0.1
122.06136	0.2
123.04525	0.3
133.02971	0.9
134.03755	0.2
134.06126	1.3
135.04530	3.0
136.04878	0.2
136.07690	0.2
137.02444	4.4
137.03479	0.3
143.03503	0.2
145.02948	0.4
147.04573	0.2
149.02487	0.2
149.06152	0.2
151.03990	0.4
153.01979	0.2
159.04521	0.3
161.02452	2.7
161.04626	0.2
162.02824	0.4
162.05629	0.2
163.03937	0.2
174.03389	0.2
175.04031	0.3
179.03487	1.2
179.05679	0.3
197.04547	0.7
207.13972	0.3
209.11880	0.6
235.93336	0.1
253.10115	0.2
257.12994	1.0
258.13342	0.2
266.86691	0.2
267.06702	0.4
267.11322	0.8
269.09216	0.2
269.13904	3.0
281.09424	0.2
283.06250	0.2
285.12534	0.2
293.09238	0.3
295.10992	0.5
301.11935	1.1
302.12314	0.5
311.05826	0.8
311.10260	0.2
313.07495	0.3
332.76877	0.1
355.13092	0.4
357.06448	0.2
359.07736	0.3
372.17218	0.2
416.16299	0.6
431.19400	1.0
442.34396	0.2
443.34653	0.4
444.35400	0.3
446.36533	0.3
460.15085	0.2
482.28543	0.5
487.34772	0.2
488.35016	0.5
490.35773	0.3
505.35672	0.2
506.36261	0.3
507.36285	0.3
508.36270	0.3
520.10858	0.2
520.17621	0.6
535.19806	0.3
544.17694	0.2
551.21771	0.4
560.20404	0.2
569.22498	2.3
623.25726	0.2
625.22931	0.2
627.34436	0.2
655.26495	0.2
657.25739	1.0
681.25085	0.2
695.24304	0.2
699.27142	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	729.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95836	0.7
57.05805	0.8
59.01381	15.7
61.31174	0.6
61.98821	2.2
71.01365	2.0
71.65332	0.9
73.02945	0.7
76.58018	0.7
89.02448	0.8
89.62927	0.7
91.28564	0.6
97.02202	0.6
97.64405	0.6
101.02431	1.0
103.76347	0.7
152.21373	0.8
161.04536	1.1
168.15236	0.8
171.10265	75.4
172.10577	4.3
235.08173	3.0
253.09352	6.4
279.23276	100.0
280.23596	11.7
311.03989	0.7
620.51990	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	729.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	48.3
61.98835	24.3
63.71762	2.1
64.68044	1.9
65.86927	2.4
71.01389	2.4
71.63132	3.1
73.52647	2.4
79.28468	2.3
80.05029	3.9
91.30757	2.3
94.06615	12.8
106.06643	8.9
120.08197	2.5
122.06107	15.4
133.02989	3.7
134.06128	36.0
135.04497	6.9
136.07704	11.9
136.67218	2.2
152.07146	3.7
160.04036	6.7
161.02449	8.2
161.04756	4.6
161.07193	10.8
162.05550	5.4
173.04767	2.8
174.05637	5.6
179.03680	3.3
190.04993	3.6
201.11278	3.0
209.11815	10.0
215.11861	5.2
225.10387	9.7
227.11815	4.2
237.10289	2.5
239.11784	3.1
241.13432	24.8
243.14989	20.5
253.09525	2.3
265.09753	3.5
267.11316	3.9
277.09732	6.3
279.11389	6.8
287.14038	23.6
295.10831	6.0
302.50174	2.5
305.09311	7.0
307.10913	6.8
309.12289	3.9
337.11884	7.3
355.12900	3.3
359.16364	3.2
360.17087	14.4
365.11511	3.5
367.12839	9.6
373.14276	4.3
386.15057	6.2
397.14102	9.3
399.81027	2.6
401.17404	2.8
402.18262	24.4
403.18689	3.1
507.23788	4.9
541.27100	2.7
549.24884	21.2
550.24713	3.5
565.28119	3.4
567.25983	22.2
568.26190	5.0
593.23804	9.5
609.27240	46.7
610.27136	9.2
613.26263	2.8
625.27246	5.2
641.29932	2.8
643.27637	5.1
653.26202	69.9
654.26587	15.6
685.28790	100.0
686.28925	26.0
713.26361	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	729.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26849	1.5
52.55358	1.6
59.01381	47.8
61.98827	25.3
62.36999	1.5
71.01385	2.2
72.16708	1.5
72.40434	1.4
89.02475	2.3
98.19922	4.5
101.02444	1.7
102.79514	1.6
105.05836	1.6
106.06647	6.4
107.03780	3.8
120.08189	23.1
122.06126	39.0
123.06446	2.9
126.90517	22.1
134.06120	39.9
135.04506	5.0
152.07176	3.8
161.02446	4.6
179.03497	2.5
194.08232	3.6
223.08815	3.8
225.10406	2.3
227.11839	2.6
235.08679	1.8
237.10315	7.6
238.11067	4.9
239.11913	5.8
249.10352	7.2
251.08167	3.1
251.11906	10.8
263.08197	5.7
263.11700	2.0
264.08994	5.8
265.09717	2.7
276.09003	2.3
277.09821	12.7
278.10547	6.9
278.72488	1.8
279.11380	25.7
280.11917	5.1
287.13977	3.5
291.08075	1.7
291.11362	9.9
292.11972	5.0
295.10928	3.3
305.09232	5.5
305.12616	2.3
307.10800	2.7
322.09360	2.6
323.10364	5.0
324.10931	3.1
355.13123	2.1
358.19324	1.8
359.74841	1.7
369.14838	1.8
370.15607	4.3
384.17328	8.9
385.17801	3.5
386.18747	3.4
389.53568	1.9
398.18994	2.8
402.18024	3.6
410.14951	1.9
412.17374	1.9
426.18323	9.6
427.19034	3.0
430.17639	3.6
442.34219	2.0
444.19342	4.9
453.16998	3.0
470.17123	3.6
471.17804	6.9
486.20129	7.9
487.21231	3.8
502.19711	5.9
530.19330	21.0
531.19891	18.4
532.20380	3.3
549.24927	4.2
562.22028	22.2
563.22253	6.1
587.49634	2.1
593.24249	10.4
594.24457	2.7
609.27112	30.5
610.27289	6.7
625.27228	2.7
653.26117	100.0
654.26569	31.3
665.22552	2.6
685.28815	25.0
686.29242	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	729.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64983	0.7
59.01380	36.9
61.27138	0.9
61.98825	4.4
71.00302	2.2
71.01408	1.3
72.99292	2.3
80.05148	0.7
87.42065	0.7
94.06628	1.0
103.00423	1.1
106.06631	6.5
108.02219	1.9
109.02936	1.6
120.08189	3.9
122.06128	11.1
122.64041	0.7
123.04511	2.4
124.07752	0.9
128.82568	0.7
132.04565	0.8
134.06129	33.8
135.04536	8.3
135.06468	1.0
136.07684	1.0
152.01251	1.2
152.07181	4.3
160.01599	1.0
161.02444	5.0
172.07579	0.9
175.04126	1.0
179.03520	2.7
181.05060	1.0
185.60315	0.8
194.08269	1.3
197.04572	3.4
211.12480	1.3
223.08961	1.2
223.12474	1.5
227.11938	0.8
234.07896	0.8
235.08749	1.3
235.12498	1.0
236.09552	1.2
237.10304	2.6
239.12048	0.9
248.09433	1.4
249.10260	6.9
250.11015	1.8
251.11852	5.5
252.12253	1.5
261.10471	1.7
263.08270	7.5
263.11844	2.8
264.09012	8.2
265.09637	2.1
275.08237	1.1
276.09009	7.4
277.09692	8.2
277.12784	1.3
278.07907	0.5
278.10593	17.7
279.11340	25.4
280.11774	2.7
289.09882	1.8
290.10672	3.5
291.11386	19.3
292.11905	3.4
295.10727	1.2
305.09641	1.5
305.12994	3.9
323.10364	1.2
337.09262	1.0
359.09998	1.3
360.16864	1.1
368.13895	1.0
370.15710	1.1
372.17209	1.1
382.15491	1.2
384.17093	2.9
385.17850	1.2
386.18665	1.5
387.15787	2.0
398.18750	3.4
400.16330	1.2
402.13501	0.6
402.18188	17.5
403.18442	2.3
410.15323	1.2
411.15622	1.3
414.18152	7.1
415.18677	1.2
426.18231	4.9
428.19940	1.4
444.19470	1.3
446.17120	1.0
452.15860	1.0
505.82150	0.8
507.24051	1.7
517.14124	1.1
530.19220	1.8
531.19757	1.0
535.14288	2.7
549.25232	7.9
562.21790	2.9
567.26044	1.1
581.27631	3.5
593.24451	4.5
609.27277	25.2
610.27197	6.7
625.26764	1.6
641.29938	5.8
642.29688	2.6
643.27783	1.4
653.26172	100.0
654.26459	23.2
685.28760	37.7
686.28912	11.6
729.25769	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	729.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90648	1.3
59.01380	49.1
61.98832	12.4
69.37885	4.0
69.38308	9.7
71.01398	2.0
73.48450	1.6
76.71207	1.3
80.05051	2.8
94.06617	12.8
94.79189	1.5
96.96019	2.4
98.20572	2.5
99.92584	1.9
101.02485	2.1
104.05141	1.6
106.06630	7.0
116.92841	1.6
120.08214	3.6
122.06121	16.6
132.04567	1.9
133.02977	2.5
134.06129	34.9
135.04514	3.9
136.07703	9.6
139.07642	1.4
145.02928	3.0
148.07695	2.8
152.07193	3.7
160.04037	5.4
161.02409	8.1
161.04785	4.8
161.07240	8.9
162.05621	4.5
174.05556	6.3
179.03470	3.7
181.08664	2.1
186.05637	1.7
190.05072	2.8
209.11739	4.4
210.08006	2.3
215.11879	5.0
224.09525	4.5
225.10240	7.8
226.10956	1.5
227.11905	4.8
237.10371	7.1
238.10905	1.8
239.11787	3.7
241.13490	27.5
242.13832	2.2
243.15059	19.5
244.15443	1.8
249.10191	2.3
250.10805	1.7
251.11925	2.8
253.09373	3.5
253.13466	2.5
263.08096	1.7
263.11929	1.7
264.09012	3.0
265.09494	2.3
267.11374	2.5
277.09909	7.1
278.10486	2.3
279.11252	6.4
285.12323	4.2
287.13913	17.4
291.11377	1.5
292.08459	3.2
295.10791	5.8
295.14029	2.4
305.09259	6.9
305.19513	1.7
306.09866	1.7
307.10947	9.9
308.11530	2.8
309.12317	2.1
309.20517	2.9
310.21228	1.7
321.08820	1.7
337.11838	5.9
342.16110	1.8
355.12888	1.7
356.13821	1.8
358.19482	2.2
360.17133	12.1
361.17761	2.2
365.11145	2.5
367.13040	8.7
368.13290	2.5
369.14728	1.9
371.16290	1.9
372.13217	2.4
372.17261	2.8
373.14221	2.2
386.15024	5.8
397.14188	7.0
398.14755	1.8
401.17413	2.1
402.18259	20.2
403.18604	2.8
414.17935	4.0
430.17783	2.2
431.18497	2.0
481.26379	2.7
486.20316	1.8
493.22388	3.0
505.26245	1.9
507.23929	3.8
521.24103	2.0
541.28119	3.6
549.25366	14.7
550.25464	3.1
567.25964	12.2
568.26599	3.3
593.23712	7.3
599.25031	2.3
609.27179	34.7
610.27417	6.3
611.25006	3.6
612.26166	2.4
625.26343	3.8
626.27405	1.5
641.29767	2.1
643.27588	5.0
653.26196	59.8
654.26318	13.5
685.28735	100.0
686.29211	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	729.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	69.3
61.98837	3.5
71.39689	2.4
79.87238	1.9
80.05070	2.6
94.06627	2.9
94.55875	1.7
106.06622	14.3
107.03785	4.6
114.02608	1.9
120.08187	31.1
122.06121	79.3
123.06522	2.4
132.04617	1.9
134.06126	95.2
135.06456	3.7
136.07678	2.2
144.08244	1.9
152.07214	9.6
158.06165	2.4
160.03999	4.0
200.07147	3.2
211.12450	2.3
221.10938	2.0
222.07976	2.4
223.08777	9.5
224.09538	4.4
225.10283	2.7
235.08740	2.8
236.09644	8.8
237.10336	12.4
238.11066	6.6
239.11877	12.1
241.13359	2.3
245.96843	1.9
248.09659	2.7
249.10252	11.5
250.07242	2.8
250.11092	4.9
251.08134	3.2
251.09387	2.4
251.11891	25.8
261.10352	2.0
262.07468	2.3
263.08286	6.9
263.11874	5.6
264.09070	15.0
264.11649	2.7
265.09778	12.5
265.13434	2.5
267.11285	2.4
271.10913	3.8
275.08438	2.3
276.08932	3.8
277.09860	16.5
277.12646	3.2
278.10364	9.5
279.11368	53.4
280.11972	4.5
281.12872	2.5
283.10876	3.6
287.14014	2.6
289.10101	2.1
291.11356	23.2
292.11819	9.0
293.12805	3.4
295.10928	4.2
305.09274	8.9
305.13007	6.9
306.09918	3.7
307.10849	5.7
323.10385	11.4
324.10883	2.9
324.77426	2.2
337.11868	4.1
342.16180	3.1
355.12979	4.1
356.13821	2.8
356.17795	3.3
358.19250	5.4
360.17111	3.9
365.11349	2.0
370.15671	9.2
371.16220	5.4
372.17227	2.2
382.19424	3.2
383.12036	2.6
383.16428	2.3
384.12888	2.1
384.17197	24.1
385.17773	9.5
386.18884	18.9
387.18753	2.8
398.14401	3.7
398.18921	5.7
399.19785	3.8
402.18152	2.5
412.16910	3.5
426.18204	24.0
427.18881	6.6
430.17648	12.2
431.18143	2.5
443.18225	2.0
444.19308	20.8
445.19769	5.0
453.17175	2.7
456.15881	2.1
470.17218	6.0
471.17676	4.5
472.18234	2.9
486.20297	17.8
487.20770	4.8
490.19901	16.6
491.20590	4.9
502.19870	8.7
507.24026	3.5
530.19287	43.9
531.20007	25.7
532.20721	3.0
549.25104	10.0
562.21936	72.9
563.22479	18.5
567.25946	5.9
593.24219	26.7
594.23895	4.3
609.27173	36.2
610.27380	6.3
612.25787	3.0
625.27100	4.1
653.26178	100.0
654.26355	25.1
685.28760	77.6
686.29138	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	729.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
69.75036	1.4
71.01363	0.3
72.99310	15.9
73.02941	0.3
74.08392	0.2
95.05054	0.3
98.07915	0.2
101.02403	0.4
105.03436	0.3
107.05045	0.3
108.49912	0.2
109.02952	0.6
123.04523	7.7
124.04871	0.3
132.02164	0.7
133.02959	20.6
134.03508	0.5
135.04529	17.2
136.04854	0.7
148.15565	0.2
151.04066	0.3
161.02444	100.0
162.02779	4.9
179.03502	15.1
180.03865	0.7
197.04553	21.8
198.04880	0.9
223.02492	0.5
288.05304	0.3
359.07718	33.8
360.08081	3.5
658.11310	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	729.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45271	3.2
53.81816	3.5
59.01382	100.0
60.03671	3.4
61.98831	40.4
71.01361	3.6
71.39664	4.2
72.99306	6.5
73.02953	5.0
74.16635	3.3
80.12213	3.5
90.14994	3.8
101.02451	4.1
106.06622	13.4
107.45300	3.6
109.02920	9.3
113.02446	6.2
120.08200	30.2
121.06580	4.2
122.06123	58.8
126.90533	4.3
133.02948	9.5
134.06125	75.3
135.04520	19.4
135.06467	5.3
152.07175	9.1
161.02463	18.7
165.57927	3.8
171.78996	3.7
177.94151	3.5
179.03487	5.0
211.71347	3.6
213.10323	8.6
214.10570	4.7
217.95038	3.9
221.10959	4.0
223.08865	5.4
229.01340	3.8
233.15465	9.1
236.09563	3.9
237.10289	7.6
238.11063	5.5
239.11807	11.5
249.10175	5.8
251.08215	6.1
251.11847	16.6
263.08176	10.9
264.09036	9.2
265.09839	9.0
267.06635	3.4
267.11710	3.9
276.09064	5.8
277.09772	17.3
278.10468	10.9
279.11398	34.9
280.12036	5.5
285.12399	9.7
286.12894	4.7
287.13144	3.9
291.11353	14.4
292.12076	4.8
293.12793	7.5
295.10641	3.9
301.11838	4.0
305.09396	6.4
306.09763	4.6
307.36798	3.7
323.10336	7.6
337.12036	6.6
339.05045	8.0
340.05539	4.9
369.14572	4.5
370.15546	10.4
384.17139	14.4
385.17896	5.7
386.18823	17.8
397.13876	5.3
398.14673	6.1
412.16562	4.4
426.18283	14.1
430.17548	14.1
432.54712	3.9
444.19519	20.6
471.17838	7.5
486.20245	11.6
487.20706	5.2
490.19662	19.5
491.19812	4.7
502.19873	5.4
503.20282	5.4
530.19330	32.9
531.19879	23.2
549.24713	8.8
562.21875	42.0
563.22711	22.2
584.25281	4.1
593.23737	14.0
607.25983	4.6
608.25262	6.2
609.26843	38.9
610.27435	5.9
625.27130	6.1
653.25793	74.7
654.26038	17.3
684.28290	4.6
685.18176	7.2
685.28809	81.2
686.28180	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	729.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01376	14.8
62.25023	1.0
68.39549	1.1
69.97250	4.4
71.01386	7.1
72.99294	1.7
73.02975	2.0
75.00876	3.1
75.05181	0.9
77.53687	1.0
77.57980	1.0
83.01396	1.3
85.02950	6.7
89.02449	3.6
91.01926	1.5
95.01401	3.1
99.00877	4.8
101.02501	5.5
105.01929	1.6
105.03380	1.1
108.02166	2.9
109.02955	100.0
109.21203	1.0
110.03265	3.5
113.02452	10.8
116.92843	1.2
119.03499	1.2
119.05003	2.0
119.40665	1.5
121.02950	19.1
123.04532	7.1
131.05066	1.2
133.02954	9.2
135.04529	11.4
137.02400	3.1
143.03531	1.5
144.70914	1.0
145.02995	5.3
146.03716	3.1
147.04527	9.6
149.04599	1.6
151.04025	2.7
158.03726	1.1
159.03183	1.4
159.04510	28.2
160.04913	2.3
161.02484	7.9
161.04539	1.6
163.04005	2.9
173.02449	3.6
174.03186	3.4
175.03995	7.9
176.71887	1.1
179.03488	4.5
181.06595	3.0
185.06248	1.4
189.01982	1.3
196.05280	1.2
197.06068	4.1
197.45021	1.0
198.06833	1.6
198.11835	1.0
199.07605	1.0
203.03496	22.7
204.03810	2.0
208.05141	2.0
209.06094	5.8
211.04031	1.7
211.07613	1.2
213.05405	1.4
221.06543	4.0
224.04750	2.9
225.05402	5.1
226.06248	2.9
227.03421	2.4
227.07076	2.9
235.03972	10.9
236.04553	1.3
237.05508	10.8
239.03343	1.6
239.07109	2.8
240.04121	1.3
241.08742	1.4
249.06100	4.3
251.07356	2.2
252.04097	1.7
253.05028	15.5
254.05879	6.4
255.06618	9.9
263.03491	2.9
264.04205	1.8
265.05051	4.3
266.05746	1.9
267.06555	5.2
268.07376	1.7
269.08185	35.7
270.08487	3.1
281.04550	11.4
282.05124	1.3
283.06119	11.3
284.06561	1.6
291.03033	17.3
292.03345	3.0
295.05957	1.7
309.04013	29.8
310.04477	5.0
311.05615	18.2
312.05948	2.5
313.07175	24.2
314.07370	1.9
327.05087	11.3
328.05225	1.4
357.06149	72.3
358.06384	9.3
371.09744	29.2
371.13629	6.4
372.10101	3.1
524.77362	1.2
642.03821	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	729.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25163	0.4
57.03442	0.8
59.01384	3.9
68.99802	0.8
69.03446	0.7
70.01527	2.2
71.01382	4.3
72.99302	1.3
75.00880	4.3
75.68781	0.5
76.47218	0.5
76.70686	0.5
83.01391	0.6
85.02950	4.8
87.00882	2.1
89.02465	0.8
91.05567	0.5
93.03448	1.4
95.01409	1.4
98.19827	0.5
99.00883	2.5
101.02513	0.5
101.03949	1.0
103.00368	0.7
103.05517	0.6
108.02187	1.8
109.02956	32.1
110.03303	0.6
111.00895	0.6
113.02452	4.7
117.01942	0.5
117.03488	0.6
119.05033	6.2
121.02959	26.0
123.04530	1.2
129.03476	9.3
130.04196	1.6
133.02954	1.4
135.04558	2.8
145.02971	7.8
146.03737	9.3
147.04529	100.0
148.04858	6.2
158.03748	1.4
159.04523	22.6
160.04855	1.2
161.02556	1.2
175.02477	1.0
175.03915	0.6
179.03572	0.7
198.06963	0.7
203.03497	2.4
231.05144	1.5
242.61235	0.5
249.06139	16.2
250.06432	0.9
251.06972	1.0
252.07817	1.3
254.05920	0.7
267.06619	0.6
269.08191	65.3
270.08539	5.8
295.06091	0.6
313.07166	30.7
314.07614	2.8
347.12943	0.5
357.06128	6.9
358.06604	0.6
371.09818	42.9
372.10226	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	728.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22905	0.1
54.87256	0.1
59.01373	1.3
60.01719	0.1
61.01827	0.1
61.98830	100.0
62.98546	0.2
69.74633	0.4
71.01388	0.2
89.02471	0.1
95.32839	0.1
96.43492	0.1
101.02419	0.1
135.04523	0.3
161.02477	0.2
161.04572	0.1
179.03528	0.2
197.04581	0.1
281.04822	0.1
439.18530	0.1
442.34955	0.1
503.34085	0.3
504.34174	1.0
505.34360	1.2
506.34711	1.9
669.14050	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	729.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05476	1.7
56.14011	1.4
56.89839	1.4
59.01381	32.0
70.85791	3.6
71.01380	14.7
72.99290	2.2
73.02948	5.8
83.01412	1.5
85.02957	8.4
89.02454	4.1
93.03458	2.2
95.01394	2.8
99.00879	4.3
100.21165	1.4
101.02455	15.1
108.02184	3.3
109.02953	100.0
110.03307	3.8
113.02458	24.3
117.03429	1.9
119.03472	3.5
119.05039	2.0
121.02953	12.5
123.04528	22.2
125.02440	3.3
131.03484	2.9
131.04996	2.4
133.02969	11.8
135.04575	9.1
135.05437	1.8
137.02469	4.1
145.02931	7.4
146.03717	4.7
147.04556	10.1
147.93262	1.5
149.02496	3.4
149.04561	7.3
150.15398	1.8
151.03966	2.9
159.04520	37.8
161.02483	8.2
161.04536	14.3
163.04039	2.6
169.06616	2.7
173.02411	2.5
174.03194	5.0
175.04002	9.9
177.01961	2.1
179.03482	4.4
181.06618	3.9
183.04453	2.5
185.06023	1.8
189.01990	2.6
191.03519	3.3
193.01393	2.6
193.06554	2.0
196.05196	2.9
197.06065	5.9
198.06837	2.0
199.07545	4.5
203.03529	23.8
208.05333	3.4
209.06105	11.1
210.06715	2.1
211.03993	3.8
211.07608	3.5
212.04784	2.6
221.06680	10.1
223.03917	1.5
224.04767	5.3
225.05566	9.7
226.06242	5.5
227.03549	4.4
227.07108	6.2
235.04007	23.5
236.04530	2.8
237.05591	12.7
238.06039	1.6
239.03583	1.9
239.07062	4.2
240.04314	2.0
241.04837	2.0
247.02394	2.7
252.04335	1.7
252.07834	1.8
253.05078	32.4
254.05728	9.0
255.06679	11.3
263.03448	5.3
264.04108	2.3
265.05072	10.1
266.05539	1.7
267.06570	4.3
269.08182	44.6
270.08456	4.5
271.06152	2.3
279.03082	1.7
281.04532	19.7
282.04977	2.8
283.06180	18.4
284.06503	1.5
291.03024	40.2
292.03253	7.0
295.06049	3.0
297.04041	2.6
299.05630	3.3
309.04041	53.7
310.04416	4.9
311.05527	12.3
313.07162	27.3
314.07449	2.2
327.05057	23.0
327.10797	2.6
328.05505	2.8
355.12192	1.6
357.06168	81.3
358.06345	9.0
371.09698	3.6
407.85007	1.6
410.01407	1.7
431.39197	1.7
633.33441	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	728.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20029	0.1
52.72347	0.1
55.99585	0.1
59.01379	1.2
60.01715	0.1
60.52447	0.1
61.01810	0.1
61.93654	0.1
61.98833	100.0
62.98532	0.2
63.29725	0.1
69.38787	0.6
70.26707	0.1
71.01398	0.2
72.99355	0.1
77.44638	0.1
83.21857	0.1
89.02451	0.1
101.02448	0.1
122.80168	0.1
123.04533	0.1
133.02977	0.2
135.04550	0.3
150.82208	0.1
151.03978	0.1
161.02481	0.4
161.04668	0.1
179.03557	0.1
197.04645	0.1
352.08835	0.1
442.33444	0.1
444.35272	0.1
476.23618	0.1
488.33783	0.1
503.33765	0.4
504.34195	1.2
505.34412	1.2
506.34741	1.8
507.35043	0.2
524.48334	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	728.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
60.01735	0.3
61.98832	100.0
62.98539	0.2
69.34786	1.2
69.35111	0.3
78.95908	0.2
126.90537	0.2
133.03024	0.2
135.04549	0.3
137.02338	0.1
150.03183	0.2
160.01711	0.1
161.02495	0.4
179.03516	0.3
247.14995	0.1
458.60416	0.1
503.33939	0.5
504.34033	1.4
505.34540	1.6
506.34662	2.2
507.34717	0.2
542.94904	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	728.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.0
61.01812	0.1
61.98832	100.0
62.98529	0.3
63.98563	0.1
63.99261	0.4
69.92687	0.1
71.01385	0.6
71.04993	0.1
72.99313	0.5
88.98811	0.2
89.02437	0.7
93.03443	0.6
101.02460	0.5
108.02174	0.2
109.02960	0.4
113.02461	0.3
119.03470	0.3
123.04530	0.5
126.90573	0.1
131.74423	0.1
133.03003	0.6
135.04520	1.2
136.04909	0.2
137.02444	1.3
145.02954	0.3
149.02452	0.2
152.01166	0.2
153.01816	0.2
153.05621	0.1
161.01077	0.2
161.02438	2.2
161.04536	0.2
162.02840	0.4
175.03989	0.2
179.03542	0.7
179.05663	0.6
180.06004	0.2
191.03458	0.2
197.04561	0.3
198.04805	0.1
249.92622	0.1
293.04370	0.2
339.05258	0.2
359.07755	0.3
360.08191	0.2
392.18887	0.1
403.19791	0.2
403.85110	0.1
450.12067	0.1
487.33411	0.1
503.34024	0.4
504.34134	1.1
505.34348	1.3
506.34705	1.6
530.14374	0.2
668.38202	0.2
728.39178	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	728.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91893	0.1
59.01379	1.7
61.98832	100.0
62.98546	0.2
63.99267	0.2
71.01356	0.2
72.53054	0.1
72.80739	0.1
72.99326	0.2
85.02920	0.1
93.03471	1.0
101.02458	0.2
109.02968	0.3
113.02457	0.2
119.04994	0.1
120.03811	0.1
123.04597	0.3
124.05000	0.1
133.03012	0.3
135.04561	0.7
137.02454	1.5
145.02974	0.5
152.01128	0.2
153.05554	0.2
161.02399	0.8
163.04024	0.2
178.28767	0.1
179.03485	0.2
197.04604	0.2
236.38133	0.1
262.82584	0.2
339.05273	0.2
404.58060	0.2
409.32623	0.1
443.37637	0.1
447.13071	0.2
503.34067	0.5
504.34177	1.4
505.34381	1.5
506.34677	2.1
529.14514	0.1
624.37476	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	728.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32901	0.2
61.98832	100.0
73.26141	0.2
75.00878	1.5
78.95921	0.3
85.41745	0.2
110.47500	0.2
135.04463	0.3
145.07542	0.2
145.40862	0.2
165.17468	0.2
178.59567	0.2
179.03519	0.3
179.20271	0.3
223.13428	0.4
224.13695	0.4
225.13962	0.2
307.53375	0.3
332.44598	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	728.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21541	0.1
58.29854	0.1
59.01379	1.2
60.01713	0.2
61.01817	0.1
61.98830	100.0
62.98521	0.2
66.69222	0.1
78.95903	0.2
83.34515	0.1
85.83659	0.1
88.31430	0.1
89.02451	0.1
127.10485	0.1
135.04565	0.1
169.84203	0.1
211.03300	0.1
229.01305	0.1
242.69377	0.1
270.83429	0.1
279.37369	0.1
339.04858	0.1
452.45737	0.1
503.33841	0.4
504.34152	1.2
505.34439	1.2
505.41171	0.1
506.34598	1.6
507.35141	0.2
611.90448	0.1
728.39771	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	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
58.00603	5.6
59.01378	62.4
60.99317	4.6
61.98835	17.8
64.45525	0.8
65.03927	0.9
69.41247	4.8
69.41647	2.5
70.28839	0.8
70.82264	0.9
71.01382	21.0
71.05010	5.5
72.99306	3.5
73.02963	1.6
75.00868	3.4
83.01397	1.3
83.04997	0.9
85.02937	4.3
85.06586	1.7
87.00863	1.9
89.02444	25.4
93.03449	1.3
95.01374	2.2
97.06615	1.0
101.02438	13.5
106.62043	0.8
113.02448	13.5
114.20966	0.8
119.03501	12.4
119.05018	1.1
131.03502	1.5
133.02956	2.4
135.04558	5.2
137.02440	2.9
143.03496	3.4
145.03105	0.9
159.42342	0.8
161.02448	5.0
161.04549	5.2
179.03497	2.3
179.05620	12.9
197.04529	1.2
205.15924	3.4
209.11690	0.9
253.09314	2.3
267.06543	1.0
311.05600	0.8
323.23694	1.1
326.43011	0.9
337.25549	1.0
387.25757	1.0
395.29404	3.3
405.31299	2.0
409.31000	1.2
411.32809	8.0
412.33017	1.8
423.32553	2.9
425.34402	14.5
426.34564	4.3
437.30701	1.2
441.33691	35.6
442.33984	6.1
443.35269	100.0
444.35544	17.2
457.32950	2.4
461.36450	2.8
475.34048	9.4
476.34988	1.3
485.32513	1.2
487.34253	62.7
488.34586	13.0
505.35324	96.9
506.35651	20.9
531.33032	3.5
532.33600	1.0
547.36493	5.4
548.36230	1.3
607.26062	1.1
651.25165	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	727.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07656	0.4
54.57720	0.4
59.01380	19.2
71.01400	1.7
72.56786	0.4
73.02950	0.7
78.95901	0.5
83.01385	0.5
83.05029	1.0
85.02980	0.7
87.00919	0.7
89.02451	1.4
97.59273	0.4
98.19823	0.8
101.02447	2.0
113.02467	1.0
127.11321	1.3
139.56152	0.4
145.05182	0.6
150.95709	0.5
151.66905	0.4
161.04562	0.9
162.75826	0.4
171.10278	87.7
172.10628	3.6
197.11884	0.9
209.11870	3.0
210.12160	1.6
211.12344	0.6
227.12816	0.5
235.08199	3.4
253.09286	7.3
255.23421	0.5
277.21713	100.0
278.22055	8.4
279.23288	3.8
280.23669	4.3
281.24124	2.0
296.79147	0.5
407.19193	0.8
513.30597	1.0
723.74286	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	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58419	0.3
53.07434	0.3
59.01384	13.0
60.01698	0.4
61.98826	0.4
69.92093	1.8
71.01399	1.6
73.02915	0.4
78.00825	0.3
80.12038	0.3
89.02447	1.1
98.03845	0.3
98.20663	0.4
101.02454	1.5
109.86339	0.4
113.02512	0.4
119.03507	0.4
125.09747	0.6
127.11276	1.9
128.69698	0.3
143.50327	0.4
161.04597	0.4
171.10272	100.0
172.10617	5.2
191.70929	0.3
235.08183	1.6
242.86815	0.4
253.09300	5.9
255.23245	0.6
277.21722	54.1
278.22079	5.6
407.19073	2.6
452.92847	0.4
513.30548	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	727.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.3
59.01089	0.4
59.01381	5.5
63.16585	0.3
71.01390	3.4
71.63638	0.4
72.99306	0.6
85.02937	0.7
89.02441	3.5
93.03460	0.8
101.02448	1.9
103.45345	0.3
109.02959	1.1
112.33722	0.2
113.02468	1.4
117.03473	1.2
119.05027	100.0
120.05363	4.2
121.02936	0.4
123.04539	1.6
133.02959	0.5
135.03072	0.4
135.04552	1.1
137.06084	0.7
143.03526	0.4
145.02943	3.0
147.04608	0.3
148.04007	0.4
149.02425	1.8
153.05611	1.8
159.04538	0.6
161.02428	0.6
163.04007	99.8
164.04375	5.6
175.02548	0.4
179.03491	1.2
179.05611	1.0
179.07162	0.8
183.10272	0.8
187.04027	1.7
200.99626	0.8
208.03775	0.8
211.04013	0.3
221.11667	0.4
223.06134	4.5
226.02364	0.3
227.03548	0.4
239.50223	0.3
255.06569	0.3
269.08221	0.4
311.05630	1.1
313.07224	0.3
325.09277	16.9
326.09671	1.7
337.14944	3.7
341.10938	1.8
355.04575	0.4
357.06119	1.0
363.16571	2.9
401.18359	1.2
545.25037	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	727.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87351	1.4
52.03753	1.6
56.67356	1.6
59.01090	2.7
59.01378	49.5
60.01714	2.0
61.98832	23.6
71.01367	2.2
72.99299	4.5
76.22672	1.4
80.05057	3.4
80.09888	1.4
84.58116	1.6
86.33337	1.3
88.98808	2.5
91.77060	1.6
101.02489	2.0
104.04997	1.6
106.06598	5.7
107.03755	2.1
120.08145	2.4
121.05314	1.9
122.06128	17.3
123.04513	3.6
132.04594	1.7
133.02943	2.8
134.05171	2.4
134.06133	31.7
135.04538	8.9
137.02423	2.3
145.02982	1.5
152.07158	4.0
160.04062	2.1
160.06398	3.7
161.02464	9.7
162.02654	1.5
174.05550	1.7
177.01949	1.5
179.03459	5.0
182.40430	1.5
190.05089	1.5
191.07228	2.0
194.08160	1.9
209.11874	2.3
213.10307	20.3
227.11707	2.5
239.11884	11.4
241.13516	12.6
249.10257	9.9
250.10976	1.9
251.11899	3.4
261.10199	2.5
262.07431	4.1
263.08270	10.5
264.08746	3.0
267.06619	1.8
267.11307	1.7
275.08322	3.4
276.08899	3.4
277.09778	14.0
278.10559	26.7
279.11246	6.6
283.10794	1.6
284.11090	2.6
285.12445	48.4
286.12820	5.3
289.09732	1.9
290.10522	5.1
291.11353	9.5
292.11731	2.1
293.12915	6.1
294.13168	1.9
304.12024	3.2
305.09271	3.8
307.10760	1.6
317.09259	1.6
338.12631	1.5
356.14020	2.1
357.14642	3.3
358.15457	11.4
365.11346	5.9
366.12006	3.1
367.12997	2.8
368.13589	1.8
382.15381	3.1
396.12866	2.1
396.17520	2.4
397.13882	4.2
398.14557	3.2
400.16473	8.7
410.14938	4.8
412.16617	2.6
415.10706	2.0
424.16547	4.1
425.17313	5.6
426.17889	3.5
457.20477	1.7
485.19400	4.3
505.22363	2.9
517.21924	3.0
529.18585	33.5
530.18768	5.7
547.23633	11.5
548.23761	4.0
561.21063	2.8
565.24384	10.5
566.24762	3.2
591.22449	6.2
592.22644	1.8
607.25653	45.6
608.25848	14.5
610.24335	2.7
639.28082	5.7
651.24615	100.0
652.25012	30.0
683.27313	18.7
684.27179	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	727.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.5
59.01377	37.6
60.99298	2.7
61.98828	100.0
71.01377	2.9
71.05010	2.4
72.99306	0.9
75.54304	0.8
80.05059	2.9
84.58347	0.8
89.02431	3.8
92.32457	0.9
98.20669	1.7
101.02437	2.7
106.06609	3.9
113.02455	1.7
119.03493	2.2
120.04559	1.6
120.08215	1.1
121.05313	2.0
122.06120	11.1
134.06113	17.4
135.04491	2.1
148.86703	0.8
152.07195	2.2
160.04008	2.0
160.06390	3.5
161.02419	1.7
174.05516	1.3
179.05621	2.1
190.04968	1.1
213.10324	22.8
214.10622	2.0
223.08755	1.0
225.10291	2.4
226.11064	1.6
227.11913	2.3
239.11870	10.9
241.13467	9.2
249.10278	2.0
251.11983	3.1
264.09045	1.2
267.11377	1.5
277.09805	4.1
278.10522	1.6
285.12454	39.7
286.12714	3.8
287.13815	1.2
293.09927	1.4
293.12863	6.1
295.10776	1.9
305.09225	2.2
307.10782	2.7
321.12363	1.1
328.10907	1.5
337.11890	2.4
340.14548	1.1
342.12259	1.5
343.13290	1.5
355.12961	2.8
355.26260	1.1
356.13779	1.8
357.14694	1.3
358.15555	11.2
359.16309	1.5
365.11414	4.6
366.12033	1.4
367.12573	1.3
370.15533	2.7
384.13315	2.5
384.17627	1.2
397.13873	4.0
398.14966	1.2
400.16681	7.9
411.32196	1.3
412.16684	2.8
424.81372	0.9
426.17822	0.9
439.32114	1.0
440.32874	1.5
441.33685	6.3
442.34042	2.9
443.34933	5.9
474.33087	1.2
475.34000	3.0
485.32471	1.0
486.32922	1.6
487.34021	2.8
490.19186	1.0
491.20511	1.5
503.33594	2.8
504.34451	4.5
505.22473	2.0
505.35172	21.4
506.35464	3.8
539.26373	1.3
547.23456	10.0
548.23865	2.6
565.24573	7.1
566.24768	1.4
569.38641	1.1
583.25226	1.3
591.22650	7.6
592.22821	2.1
607.25562	40.7
608.25885	9.2
610.24249	2.0
623.25092	2.3
641.26227	1.2
651.24530	47.4
652.24805	12.4
683.27344	9.3
684.27057	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	727.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	30.7
61.98832	28.2
71.01373	8.8
72.99306	2.0
73.02958	1.5
78.95911	8.9
85.02948	3.8
89.02448	6.5
93.03456	2.4
101.02435	4.4
108.02158	9.3
109.02201	1.6
109.02954	32.5
113.02423	3.8
117.03461	1.2
119.03507	3.2
119.04994	1.6
121.02986	1.9
123.04554	1.3
133.02954	2.5
134.03741	1.5
135.04509	8.0
137.02437	3.0
145.02936	9.3
146.03740	2.8
147.04555	8.1
152.01183	11.6
153.01965	5.7
157.02939	11.5
158.03656	1.4
159.04510	21.7
161.02420	8.5
161.04500	1.7
163.03963	2.9
163.11212	1.3
173.02411	3.3
174.03221	1.4
175.03995	4.5
179.03476	3.2
185.02463	4.6
187.11343	1.6
202.02748	1.6
203.03497	11.2
207.10219	3.0
211.07779	1.3
217.01430	2.7
221.05981	1.8
224.04716	2.3
229.01416	60.1
230.01833	5.4
239.07095	2.3
245.04550	3.8
248.04752	1.3
249.05515	6.0
250.06291	2.2
253.05121	2.0
264.85342	1.2
265.05215	1.4
266.05652	2.2
267.06577	19.1
268.07153	2.3
269.08270	3.5
272.24786	1.2
277.05045	11.3
278.05627	3.7
293.04572	5.5
294.05035	3.3
295.06110	23.9
296.06451	2.1
305.06757	1.4
315.07095	3.8
339.05087	100.0
340.05386	11.4
357.06039	4.4
387.16592	16.3
388.16962	1.5
467.14844	1.7
503.33707	4.4
504.34131	10.3
505.34863	8.4
513.17603	1.7
547.18103	5.3
565.19128	1.7
573.19897	14.5
574.20123	3.0
605.18829	3.1
683.23566	15.5
684.23633	1.9
727.23285	28.5
728.23724	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	727.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	2.9
59.01379	50.2
62.37161	2.4
64.78000	2.1
70.67597	6.2
73.10445	2.0
80.05048	6.2
86.21795	2.0
106.06629	10.1
117.52047	2.1
120.04556	2.9
120.08182	5.0
121.05346	7.0
122.06109	30.6
134.06119	51.8
152.07184	5.4
160.03973	2.1
160.06435	9.5
174.05632	6.4
190.05070	2.4
213.10321	52.6
213.12267	4.1
214.10690	5.0
223.08786	4.6
225.10286	5.8
226.11098	5.7
227.11826	8.2
236.09375	2.4
237.10342	2.4
239.11917	29.1
241.13496	28.3
242.13629	3.1
249.10434	2.9
251.11829	7.4
267.11267	2.7
277.07104	2.7
277.09799	12.7
278.10526	3.0
285.12433	100.0
286.12753	9.4
293.09525	3.9
293.12933	15.2
295.10895	4.1
305.09308	9.3
306.09833	2.6
307.10815	5.5
316.14563	3.2
328.10895	5.1
337.12155	4.2
342.12558	2.4
343.13266	6.0
344.13885	2.8
355.13058	3.6
356.14081	4.5
357.14819	7.3
358.15527	25.3
365.11401	9.3
367.13098	3.7
369.14709	3.1
370.15820	4.3
384.13275	4.5
385.14114	3.4
397.14099	9.0
400.16495	15.3
412.16684	8.9
490.20239	3.9
491.20364	4.6
505.22760	5.0
532.96680	2.3
539.26367	2.5
547.23474	20.3
548.23230	3.8
565.24506	18.2
566.24872	3.0
591.22406	13.8
607.25623	77.4
608.26105	12.0
610.23920	3.0
651.24615	81.1
652.24524	19.2
683.27313	12.7
684.28058	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	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.3
61.98819	1.2
71.01381	0.5
71.05013	0.5
71.48038	0.4
79.66830	0.3
83.88616	0.3
89.02413	0.5
101.02440	0.8
127.73309	0.3
132.26794	0.3
161.04544	0.4
192.64813	0.3
201.62025	0.3
212.72148	0.3
224.16490	0.3
320.15756	0.3
380.62366	0.3
419.29684	0.4
441.33600	0.3
443.31967	0.7
453.30142	0.5
459.34216	0.5
485.32761	7.5
486.33133	1.5
503.33771	100.0
504.34113	19.0
545.34967	0.9
565.23193	0.4
665.39001	0.9
725.40833	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	727.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36048	0.7
55.01891	0.7
57.79819	0.5
59.01380	100.0
60.01714	0.8
60.94096	0.6
61.48236	0.6
66.89433	0.6
67.38739	0.6
71.01385	9.2
73.02607	0.7
73.02943	4.3
73.39445	0.7
77.32570	0.6
83.01375	1.8
85.02952	6.0
98.19869	1.8
99.00892	1.4
101.02441	7.1
108.02194	2.2
109.02962	10.0
113.02435	3.1
121.03011	0.8
123.04528	2.0
133.02916	3.2
134.03665	0.9
145.02931	0.8
146.03743	8.6
147.04436	1.5
149.06128	1.1
155.68805	0.7
158.03773	2.1
159.03189	1.4
159.04512	16.6
160.04887	1.0
161.02524	1.2
161.04556	3.6
197.06107	0.9
198.07024	0.7
202.02774	1.1
211.07761	1.1
212.08601	0.6
222.06932	0.9
223.07660	0.8
225.05624	2.5
231.18549	0.7
237.05469	1.0
238.06360	1.2
239.07130	6.7
240.07652	0.9
249.05646	1.0
250.06323	5.9
251.07085	8.8
252.07603	0.9
253.05061	9.2
254.05412	0.8
265.05124	1.4
266.05820	5.5
267.06613	73.6
268.07233	23.4
269.07724	1.0
269.10294	11.3
269.12982	0.9
270.10617	1.2
283.06528	1.2
283.09763	42.2
284.10013	3.9
311.11353	6.2
327.08728	75.9
328.09045	8.8
371.07712	29.1
372.07999	3.2
612.94580	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	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55844	0.8
59.01381	18.0
61.21392	0.8
61.98838	5.2
69.45873	2.2
69.46281	4.6
71.01375	1.6
75.00871	3.8
88.03722	0.8
89.02451	1.1
93.38026	1.0
99.04539	2.0
111.04510	2.3
115.84652	0.8
116.36977	0.8
117.23740	0.9
125.02460	1.1
150.06796	1.2
162.06865	100.0
163.07228	6.9
176.08441	3.6
177.09207	89.1
178.09537	7.8
191.07205	1.5
298.58679	1.0
372.93118	0.9
432.61517	1.1
443.30161	2.6
461.30704	1.2
487.34250	5.1
488.34714	1.3
493.09195	0.9
503.32584	1.3
510.59970	0.9
603.38824	2.2
621.40271	2.7
639.40485	1.2
656.53668	1.1
670.00989	1.0
681.42108	3.2
682.41473	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	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71311	1.3
57.03475	1.6
58.00596	5.9
59.01382	68.9
60.99305	6.1
61.98836	14.7
66.64709	1.4
69.03471	1.8
71.01386	12.2
71.05025	20.7
72.99290	3.4
73.02944	1.6
73.77037	1.4
75.00867	5.4
78.56879	1.3
83.01417	2.3
85.02947	4.5
89.02451	12.8
94.52843	1.4
98.01871	1.6
101.02445	12.6
109.02971	4.8
113.02466	10.4
116.92873	1.6
117.79668	1.4
119.03491	8.2
121.03004	3.1
133.02965	2.4
135.04547	6.5
140.59445	1.3
145.02972	1.6
149.02428	1.6
161.02455	8.9
161.04555	4.4
162.85466	1.5
175.04007	3.1
179.03490	3.2
179.05569	3.1
205.16055	2.2
207.19316	1.4
211.08011	1.6
282.83902	1.5
303.19699	1.7
323.23761	2.4
337.25107	3.5
349.25397	1.5
351.26846	1.9
355.26508	5.5
367.26340	3.7
369.28058	2.9
393.27744	2.0
400.96335	1.5
409.31174	5.4
413.27090	3.1
421.30969	3.1
423.32602	6.2
437.30270	2.3
439.32202	32.9
440.32571	6.4
441.33725	92.6
442.34036	15.7
443.31622	9.5
455.31696	7.0
456.31927	1.9
459.34741	18.9
460.35135	6.3
473.32819	7.0
485.32697	85.1
486.32980	17.4
487.34384	3.5
503.33780	100.0
504.34238	20.0
545.34747	5.3
725.23840	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	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.4
61.98835	7.8
69.44337	8.3
83.05040	3.1
91.84655	1.3
99.04527	1.2
135.04619	1.1
135.08084	1.6
149.06056	1.5
150.06787	1.8
161.02478	1.8
162.06860	100.0
163.07185	6.2
176.08328	3.2
177.09209	85.3
178.09535	4.5
197.11855	3.4
309.20718	1.8
443.30328	4.2
461.32016	2.0
503.32373	1.7
621.39697	2.4
663.41095	1.9
681.41760	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	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01384	29.1
60.01702	0.4
61.98827	0.5
69.51630	0.7
69.52056	0.8
71.01396	1.1
71.05068	0.2
72.99319	0.2
85.02956	0.4
89.02446	0.7
98.19917	0.5
101.02431	1.3
112.33617	0.2
113.02458	1.1
119.03526	0.9
161.04579	0.4
221.06586	0.3
352.88062	0.2
363.26999	0.4
379.29974	0.4
387.26556	0.3
389.28424	0.3
393.31628	0.5
401.28534	0.4
407.29785	1.0
408.29861	0.2
409.31387	1.1
419.29739	0.6
421.30988	1.9
422.31320	0.3
425.30511	0.5
439.32172	0.6
441.33771	5.2
442.34302	1.1
453.29962	0.6
457.33240	2.1
458.33316	0.5
459.35156	0.3
473.32733	1.8
474.32599	0.5
485.32797	3.1
486.32956	0.7
503.33789	100.0
504.34146	22.1
517.35364	0.2
545.34802	2.5
546.35327	0.5
551.37494	0.2
665.39142	0.8
666.39490	0.3
725.29932	0.2
725.40851	1.1
726.41504	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	725.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81645	0.5
58.00590	0.8
59.01379	45.1
61.98831	33.0
68.11010	0.5
69.52737	3.5
71.01379	7.8
71.05027	1.3
72.99307	1.9
73.02948	1.4
75.00874	0.9
83.01373	0.8
83.39506	0.6
85.02955	2.7
89.02444	8.1
93.89378	0.5
95.01402	0.9
96.96017	1.4
98.20687	0.8
98.95621	0.5
99.92563	2.5
101.02443	7.3
109.02907	1.1
112.44423	0.5
113.02444	6.4
115.92097	1.2
116.92861	2.3
117.03472	1.2
119.03502	4.2
119.05039	0.7
121.02872	0.5
125.02431	0.6
133.02956	1.4
135.04530	3.4
135.09042	0.5
137.23192	0.5
143.03500	1.2
145.02921	2.9
161.02443	3.6
161.04578	2.4
163.04042	0.9
174.33711	0.7
179.03522	1.6
179.05595	4.0
197.04485	0.8
229.23338	0.5
286.99225	0.5
357.25821	1.2
359.07489	0.6
373.29025	2.1
377.28528	1.3
391.29788	1.5
393.31531	3.8
407.29297	1.2
419.29333	0.6
425.30328	2.6
426.30945	0.7
427.32074	1.5
437.30713	1.6
439.32104	0.6
441.33392	1.0
457.33069	4.0
458.33420	1.3
459.34875	7.2
460.34967	1.2
473.32843	1.9
485.32681	29.4
486.33063	5.7
489.32025	1.0
490.32727	1.3
491.33688	20.2
492.34192	4.2
501.31961	0.9
502.32507	0.8
503.33792	100.0
504.34097	20.1
517.35223	1.1
545.34991	8.6
546.34949	0.9
665.39600	1.3
665.49823	0.7
725.15436	0.7
725.40735	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	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34238	0.3
59.01379	37.0
61.98839	1.9
69.50996	0.9
69.51415	1.7
71.01381	1.5
73.39165	0.3
77.31136	0.3
89.02445	0.9
101.02446	1.1
113.02438	0.9
119.03493	1.1
122.42400	0.4
127.65216	0.3
154.86469	0.4
161.04465	0.4
190.49400	0.4
284.80154	0.4
357.25766	0.8
389.28485	1.6
391.30203	0.7
393.32016	1.0
407.29578	4.0
408.29575	0.7
409.31345	0.9
419.29620	0.7
425.30646	0.9
441.33600	0.9
457.33270	1.8
485.32730	1.4
503.33777	100.0
504.34113	17.8
536.46228	0.6
545.34961	1.6
632.00092	0.5
665.39105	1.1
725.41284	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	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08438	0.3
59.01380	28.6
60.01733	0.4
61.98835	11.1
69.61977	2.5
71.01388	2.6
71.05013	1.3
72.99328	0.3
83.05064	0.4
85.02948	1.0
87.00892	0.4
89.02445	2.5
98.19868	0.7
101.02449	1.5
103.26873	0.3
108.13478	0.3
113.02448	1.5
119.03489	1.1
123.00703	0.3
135.04565	0.4
161.02411	0.5
161.04552	0.8
169.83557	0.3
179.05611	0.8
294.10645	0.4
300.78088	0.4
310.96609	0.4
339.05191	0.7
351.27039	0.5
355.26538	2.5
356.26462	0.4
369.27957	1.2
387.25705	0.4
389.27032	1.5
390.27377	0.4
399.25394	0.6
409.31006	0.7
413.27072	0.5
421.31113	0.5
439.31580	0.4
441.33487	1.0
443.31723	0.4
453.29904	1.9
454.30396	0.5
457.33340	0.6
459.35397	0.5
485.32742	6.2
486.33200	0.8
501.32361	0.8
502.32578	1.4
503.33789	100.0
504.34122	18.3
504.41696	0.6
517.35608	0.5
545.34570	2.5
546.34924	0.6
590.01624	0.4
665.38605	1.1
725.41418	1.2
726.38544	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	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00618	0.8
59.01380	17.9
61.98836	1.0
71.01385	5.5
71.05027	6.3
72.99305	0.9
73.02939	0.9
75.00899	0.8
83.46163	0.4
85.02940	2.0
89.02447	4.1
95.01347	0.7
96.96003	1.4
101.02466	2.7
108.02153	0.6
109.02957	0.9
113.02437	3.7
119.03513	2.1
119.05042	0.6
121.20145	0.4
123.46097	0.4
135.04582	2.2
137.02451	0.5
143.03497	0.6
147.04510	0.9
161.02455	1.4
161.04547	1.3
162.74249	0.4
171.10260	0.6
179.03471	1.0
179.05588	2.0
181.02853	0.4
229.54179	0.6
246.55133	0.5
301.86963	0.6
321.21994	0.6
327.21771	3.1
337.25583	0.6
349.25510	0.7
351.27048	1.3
355.26410	30.5
356.26743	4.8
365.06747	0.5
367.26492	2.8
369.28015	4.5
373.27069	0.6
383.07803	1.7
387.30182	0.7
389.27356	0.6
399.25388	6.1
400.25705	0.9
413.26898	2.0
415.14175	0.5
423.32922	1.3
439.32230	2.2
441.33780	1.7
442.34290	0.5
443.31805	1.1
455.31750	0.8
457.33115	1.1
467.32083	0.8
485.32556	5.1
486.33035	1.3
499.34433	0.6
503.33780	100.0
504.34088	19.1
517.35364	0.6
545.34821	11.8
546.35236	2.6
665.38818	1.0
681.36694	1.0
725.39899	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	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	3.2
59.01382	63.2
60.99324	8.3
61.98833	20.1
71.01385	15.5
71.05009	10.6
71.28863	1.4
71.65509	1.7
71.65903	2.1
72.99306	5.5
73.02950	4.8
75.00861	9.6
83.01408	2.3
85.02965	4.3
88.98798	2.2
89.02429	7.4
93.08186	1.5
95.01379	3.2
95.05034	2.0
100.54253	1.4
101.02437	14.3
106.06630	2.7
108.08205	1.7
109.02959	3.5
111.00881	1.9
113.02437	8.7
119.03500	5.6
119.10395	1.5
119.23235	1.4
123.04510	2.1
126.90562	2.2
133.02936	5.6
135.04510	16.1
137.02493	3.0
145.02937	3.2
149.02415	2.3
150.03151	1.7
152.07172	1.6
161.02475	14.3
161.04553	3.5
162.03174	1.5
163.04089	2.2
177.05600	2.1
179.03423	7.2
197.04503	3.2
205.15930	3.2
257.91782	1.6
311.05615	3.8
315.13422	2.7
355.26212	3.7
364.67679	1.7
369.27930	3.8
413.27112	3.9
423.32758	8.8
437.30792	3.6
439.32031	6.8
441.33722	40.2
442.34030	5.0
443.31625	4.5
455.31418	5.1
457.33084	7.0
458.33408	2.5
459.34857	5.1
473.32806	16.7
474.32956	2.4
477.29993	1.9
485.32669	35.1
486.33008	7.0
491.33820	3.8
503.33820	100.0
504.34125	21.8
517.35168	6.5
519.31683	2.5
545.35028	9.1
603.39520	2.2
665.39014	6.0
681.38934	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	725.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87512	0.4
57.03442	0.9
59.01089	0.7
59.01382	13.4
60.01710	0.5
61.98837	2.5
66.29996	0.4
69.03458	2.2
71.01373	2.4
71.05029	0.6
71.64230	0.4
72.99303	0.9
83.05004	0.8
87.00910	0.6
89.02426	2.1
95.05047	0.4
99.00864	0.4
101.02448	1.7
109.06578	0.7
113.02427	1.5
125.09725	0.5
134.68694	0.4
135.04530	0.8
135.11771	0.4
149.09708	0.5
161.02440	1.0
161.04568	1.0
162.06873	1.2
163.92790	0.5
167.10768	2.9
169.27481	0.4
175.74129	0.5
177.09149	0.7
177.12648	0.6
179.10855	1.0
179.14392	3.3
192.39607	0.5
195.13916	10.5
196.14180	0.5
197.11829	5.9
205.12328	8.6
206.12686	0.6
209.04514	0.5
223.13393	100.0
224.13751	8.0
235.08261	2.7
239.97194	0.4
248.98209	0.5
253.09267	5.5
291.19711	0.6
309.20715	1.4
313.18768	0.4
411.25443	0.5
429.26480	1.1
441.21182	2.0
459.22394	13.7
460.22806	2.0
647.34375	1.8
665.35779	2.1
709.33472	0.5
746.96704	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	725.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.4
60.99308	15.8
61.98822	1.2
69.38271	1.5
69.38705	1.3
69.63846	0.4
71.01384	0.4
71.45478	0.4
72.99309	1.1
87.00879	0.9
88.00405	2.3
88.98807	100.0
89.02442	12.9
89.99139	1.2
99.00959	0.3
101.02478	0.4
109.06638	0.4
113.02457	0.4
133.02950	0.6
134.06117	0.6
135.04478	0.8
139.20201	0.3
145.11240	0.3
161.02437	2.0
171.82968	0.3
179.03470	0.5
233.55609	0.3
256.04962	0.3
385.88049	0.3
393.07288	0.4
400.61725	0.3
443.19406	0.3
503.33734	0.6
598.92120	0.3
649.22888	0.5
671.10779	0.4
706.38684	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	725.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61522	0.3
59.01382	5.3
60.99309	16.2
61.98823	2.1
62.78082	0.3
71.01393	0.4
80.88595	0.3
87.00858	1.1
88.00406	1.6
88.98808	100.0
89.02442	8.6
89.99145	1.1
96.96030	0.3
101.02448	1.0
103.00382	0.9
106.06635	0.3
133.02896	0.5
134.06114	0.4
135.04532	0.7
139.19153	0.3
161.02415	2.0
163.07620	0.4
172.28616	0.3
179.03467	0.4
276.12656	0.3
276.45737	0.3
311.47144	0.3
398.14767	0.3
437.36459	0.4
503.33749	1.0
605.24127	0.4
649.22687	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	725.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91196	0.7
55.01884	0.8
57.03453	0.9
59.01380	100.0
59.46361	0.7
60.01727	1.4
61.39789	0.6
65.55891	0.6
66.30453	0.6
71.01389	13.4
72.99312	0.9
73.02948	6.4
83.01398	2.9
85.02943	4.6
87.00900	0.8
89.02423	3.5
92.15638	0.6
95.01401	0.9
97.02950	0.8
99.00904	1.0
101.02447	10.4
109.02993	0.8
111.00916	0.7
113.02448	6.5
119.03495	1.6
119.04947	0.7
121.02990	2.8
133.03011	0.6
135.04544	3.5
143.10831	0.9
149.02400	0.8
149.04623	1.4
161.02464	2.8
161.04509	4.9
163.03960	0.9
179.03484	1.0
206.96646	0.6
239.09174	1.5
242.41151	0.6
247.12102	0.8
287.15182	1.2
289.12534	0.8
305.16098	8.2
306.16556	0.8
307.14236	0.8
333.95697	0.7
347.17126	8.2
348.17633	0.9
370.05939	0.8
383.07718	1.2
399.21283	0.6
563.14313	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	725.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	76.3
60.01708	1.1
61.98805	1.6
70.40527	3.8
78.53473	1.1
93.18269	1.3
94.06632	1.2
103.00354	4.4
106.06631	21.7
107.03751	1.9
122.06120	13.5
134.06119	93.9
135.06485	5.2
136.07655	1.2
152.07190	16.6
153.07466	1.1
194.08217	2.3
219.94238	1.0
237.27824	1.1
238.27037	0.9
239.11932	1.5
247.08765	2.0
249.10239	1.1
263.08286	2.2
285.12350	1.5
291.11362	1.9
312.11395	1.1
328.14651	1.8
340.10858	2.6
341.11652	1.8
352.10825	4.3
353.11618	1.4
354.12390	9.2
354.16113	1.8
355.13144	4.2
356.13977	4.8
357.14749	1.4
366.12329	3.9
367.09573	8.0
367.13589	1.4
368.10077	3.9
368.14038	9.0
369.14603	2.3
370.15567	16.3
371.15817	3.0
380.10300	4.4
380.14432	2.5
381.10641	1.8
381.14966	2.9
382.11511	12.7
382.16519	5.3
383.12494	15.4
384.13187	1.3
392.13815	2.0
393.11032	1.9
394.11966	9.7
395.12634	6.9
396.13336	7.6
397.14026	4.3
398.15079	58.0
399.15485	9.1
408.13547	3.7
409.14035	5.1
410.15030	28.5
411.15515	6.7
424.16638	9.4
429.17224	1.6
430.17548	9.7
431.18121	1.5
442.13531	1.8
471.14655	1.6
485.32559	1.8
487.18161	3.5
488.18259	1.9
489.18991	2.0
501.19855	6.3
502.20291	3.3
503.20779	3.7
504.21542	2.5
515.17291	4.7
517.22571	9.2
529.18933	3.0
530.19574	3.8
535.23059	1.3
545.21948	50.5
546.22052	11.1
563.22736	8.5
564.23010	2.0
577.24524	26.2
578.24640	6.5
589.20837	3.7
590.21521	1.5
595.25873	2.2
605.24017	97.3
606.24384	25.2
607.21960	2.3
608.22681	1.5
621.23505	3.0
622.23328	1.2
637.26672	41.9
638.26947	11.8
639.24646	6.5
649.22986	100.0
650.23242	30.2
681.25616	45.3
682.25885	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	725.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51660	1.3
59.01090	2.1
59.01379	35.7
60.99294	2.7
61.98829	12.8
69.33130	5.6
69.33552	6.9
70.66309	1.3
71.01379	2.3
72.99306	5.3
75.00876	30.3
82.33678	1.4
88.98804	12.0
89.02460	4.8
93.03437	1.7
98.20564	2.4
101.02467	2.7
106.06570	1.5
112.89442	1.3
114.40430	1.3
114.81745	1.4
120.04536	1.8
122.06137	10.1
133.02954	1.7
134.06129	6.6
135.04562	4.8
150.05592	7.9
152.07123	3.1
161.02487	8.9
178.08739	1.6
179.03421	2.2
179.05629	1.8
209.11841	2.0
213.22166	1.6
235.08708	1.9
240.08315	1.4
241.09863	1.9
249.06732	1.4
249.10284	4.0
250.11055	1.6
255.11327	1.8
257.13016	2.0
262.07474	4.4
263.08206	7.4
275.08267	4.1
277.09781	15.9
278.10492	12.5
279.11304	4.1
283.10873	11.5
289.09906	3.1
290.10645	2.8
291.11270	4.8
292.12299	1.7
301.12009	3.2
303.11234	3.0
304.12326	3.2
317.08871	1.4
340.14517	1.6
353.11557	2.2
354.12357	2.3
365.11542	1.6
366.12460	3.5
368.13925	5.8
370.15436	3.0
380.13980	3.8
381.14841	2.9
382.11450	1.9
382.15677	5.8
383.16214	2.0
393.11221	2.7
394.11386	2.2
394.15839	2.4
395.16730	1.8
396.13272	6.0
398.15036	4.0
408.13168	6.6
409.14081	4.3
410.15024	4.8
411.15714	6.6
412.16754	3.2
413.17493	3.1
422.15164	3.2
423.15805	6.0
424.16669	8.5
425.17194	3.4
440.15988	4.3
441.16922	20.9
442.17581	5.2
453.17117	2.3
454.13446	2.8
455.18433	4.0
468.15775	2.8
482.17291	5.7
483.17966	22.9
484.18616	6.5
487.30670	9.6
503.34161	1.6
514.19836	4.7
515.20917	10.8
516.20953	2.6
527.16968	70.2
528.17444	15.6
545.22186	4.1
559.19983	1.6
563.22900	3.2
605.24115	24.2
606.24316	5.5
637.26990	6.8
638.26978	2.5
649.23004	100.0
650.23340	20.0
681.25677	12.1
681.36847	2.7
682.26154	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	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90073	0.1
55.01878	0.4
59.01376	2.2
70.81216	0.2
70.81536	0.3
71.01376	2.0
73.02959	0.3
80.02670	0.8
81.03466	1.1
83.01371	0.3
83.05020	3.8
84.02176	0.8
85.02958	0.5
87.00916	0.2
89.02445	1.4
95.05026	0.6
101.02449	1.9
109.06602	0.4
113.02445	1.1
119.03497	0.7
125.06049	0.3
135.08194	0.4
138.37631	0.2
161.04538	1.0
163.11293	3.5
164.11623	0.3
165.12874	1.9
179.05568	0.3
181.12335	0.5
191.10774	0.7
209.11819	100.0
210.12170	6.9
225.11241	0.2
227.12881	9.9
228.13150	0.6
235.08180	1.2
253.09279	7.1
253.11395	0.1
254.09581	0.3
259.20798	0.2
277.21707	46.6
278.22037	5.0
445.20496	0.7
723.42468	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	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79462	0.5
59.01381	7.0
61.98825	5.9
66.62535	0.5
70.81304	0.9
71.01379	3.8
72.99266	0.6
73.02958	1.1
78.95912	6.4
80.02679	0.9
81.03464	1.2
83.01387	0.7
83.05027	2.5
83.61643	0.5
85.02957	1.0
87.00894	1.2
88.58140	0.7
89.02451	2.3
93.03472	0.8
95.05064	0.7
97.02959	3.6
99.00882	1.5
101.02438	4.5
109.06593	14.4
110.03722	0.7
113.02431	1.8
121.06601	1.3
127.46976	0.5
127.68052	0.5
135.08150	1.8
136.05315	0.8
142.02730	1.3
145.05014	0.8
150.89633	0.5
152.99602	7.5
161.04567	1.7
161.09735	1.1
163.11292	8.7
164.11606	0.8
171.00639	0.7
179.10658	0.6
181.12386	1.4
189.09210	2.0
207.10265	47.6
208.10640	3.0
209.11844	15.2
210.12148	1.3
225.11330	13.2
226.11737	1.1
227.03233	0.9
227.12848	1.5
235.08218	4.7
253.09291	8.4
253.21761	3.0
277.21698	1.1
279.23288	100.0
280.23636	10.1
391.16699	0.5
443.19333	2.2
443.35135	0.8
455.16605	1.4
461.20004	3.6
462.20663	0.8
465.73724	0.5
473.01953	0.6
487.19553	10.0
488.19940	1.1
691.38171	0.8
723.42694	26.3
724.43054	6.4
735.48566	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	724.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00204	0.2
56.59303	0.2
59.01378	2.4
61.98831	100.0
62.78421	0.2
65.11221	0.2
97.63842	0.2
131.19377	0.3
161.02512	0.3
162.06935	0.8
177.09238	0.8
203.22577	0.2
235.51834	0.3
312.28699	0.2
346.77997	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	723.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38649	1.9
54.44496	1.8
57.26978	1.5
59.01373	3.4
61.98834	13.4
70.58710	3.7
70.59046	2.2
78.95457	2.8
78.95905	35.5
83.05024	6.0
91.89840	1.7
96.96951	4.4
116.92815	2.7
152.99590	43.8
153.47559	1.6
163.11230	4.9
165.12837	3.9
171.00587	4.9
209.11832	100.0
210.12151	6.8
227.03218	4.5
227.12888	10.5
239.42870	1.7
253.21703	21.6
254.22058	1.9
255.23303	1.9
277.21634	2.7
286.53360	1.8
363.11908	2.4
437.15781	2.9
455.16797	10.8
487.19516	76.1
488.19971	7.4
601.75336	1.8
691.38379	7.4
723.40906	60.6
724.41132	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	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
58.00584	0.3
59.01377	3.6
61.98841	0.3
71.01379	2.6
71.39639	0.4
73.02953	0.8
78.95879	0.2
79.57753	0.2
80.02689	0.9
81.03450	1.2
81.06195	0.2
83.01409	0.5
83.05029	4.2
84.02182	0.6
85.02974	0.9
87.00901	0.7
87.96818	0.2
89.02449	1.8
93.03471	0.3
94.69104	0.3
95.01393	0.2
95.05045	0.5
97.02984	0.3
101.02444	1.9
103.03342	0.2
109.06575	0.4
109.67764	0.2
113.02448	1.4
119.03474	0.5
125.06039	0.3
135.08202	0.6
143.03477	0.4
145.05109	0.4
159.65526	0.2
161.04576	1.0
163.11288	3.3
165.12866	1.9
179.05650	0.4
181.12378	0.5
191.10809	0.9
202.93022	0.2
207.10310	0.5
208.10646	0.2
209.11832	100.0
210.12184	6.8
225.11176	0.3
226.82999	0.2
227.12891	9.7
228.13231	0.7
233.22789	0.2
235.08228	2.6
253.09277	8.5
254.09521	0.4
268.28665	0.2
272.87863	0.2
275.20160	0.2
277.21719	69.5
278.18921	0.3
278.22086	7.4
278.25241	0.4
279.23108	0.6
372.18390	0.3
437.21634	0.2
445.20752	1.0
483.71353	0.3
723.43158	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
59.01378	4.4
61.98838	0.4
71.01382	3.6
71.66131	0.2
72.99303	0.2
73.02951	0.9
80.02686	0.7
81.03458	1.2
83.01385	0.4
83.05026	3.7
84.02200	0.3
85.02958	1.1
87.00898	0.7
89.02450	2.0
93.03471	0.3
95.05030	0.5
99.00902	0.5
101.02444	3.4
109.06565	0.3
113.02446	1.4
115.61248	0.2
119.03522	0.6
125.06105	0.4
135.08179	0.6
143.03546	0.5
145.05061	0.5
161.04547	1.3
163.11290	2.8
165.12860	1.6
179.05634	0.3
181.12332	0.4
191.10800	1.1
207.10179	0.4
209.11827	80.2
210.12180	5.4
225.11299	0.3
227.12883	9.3
228.13266	0.7
233.22823	0.3
235.08241	5.5
236.08543	0.5
253.09286	8.9
254.09709	0.5
275.20270	0.3
277.21716	100.0
278.22073	11.2
278.25232	0.4
279.23212	0.6
299.73926	0.2
316.71909	0.3
326.73743	0.2
445.20374	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	723.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91613	1.0
55.01872	3.6
57.03444	3.0
59.01380	41.2
61.98822	4.4
71.01382	29.0
71.05030	1.2
72.99312	2.4
73.02950	7.3
75.00871	0.9
79.34689	0.9
80.18346	0.8
83.01375	8.1
84.02203	0.9
84.28432	0.9
85.02486	1.5
85.02953	13.1
86.54661	0.9
87.00880	10.1
88.00401	2.8
88.98814	1.9
89.02448	7.1
95.01389	2.6
97.02956	1.2
99.00900	2.0
101.02448	32.3
113.02461	12.7
119.03517	2.2
123.04527	1.8
133.02942	1.8
135.04543	5.2
137.02466	1.6
137.95467	0.9
143.03497	2.6
145.02876	1.1
149.02434	1.2
161.02481	8.9
161.04555	9.2
162.02739	1.6
163.03951	1.9
179.03453	2.6
179.05591	1.4
183.18851	0.8
191.03546	1.4
197.04462	1.2
311.05667	1.1
420.13660	0.9
441.30420	0.9
469.29349	7.2
470.29691	1.7
481.29767	3.0
501.32202	25.5
502.32715	6.4
545.30768	1.6
601.37598	1.0
619.37659	1.8
637.38739	1.2
661.39758	2.0
663.37494	100.0
664.37781	25.2
664.46637	0.6
724.38763	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	723.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17984	0.3
55.01867	0.6
57.03408	0.3
59.01380	27.3
60.01705	0.4
61.98834	0.7
69.29352	3.1
71.01382	7.1
71.05017	0.6
72.99303	0.6
73.02943	1.9
74.20001	0.3
75.00861	0.3
77.32305	0.3
83.01395	1.0
83.05029	2.4
85.02945	3.6
89.02438	1.6
95.01366	0.6
99.00877	0.7
101.02442	5.6
102.02806	0.4
113.02457	5.4
118.98078	0.4
119.03498	1.2
119.04974	0.5
128.98981	0.3
135.04492	1.2
143.03508	0.7
145.03006	0.4
159.02969	0.9
159.04292	0.3
159.50961	0.3
161.02423	0.9
161.04553	6.9
256.15915	0.4
353.24670	0.6
371.26047	0.7
373.27444	1.1
405.27313	0.6
417.28076	0.4
419.29419	0.8
423.29294	0.4
429.30014	0.9
439.32043	0.9
441.29922	2.1
451.28790	0.6
455.31580	0.3
457.33206	12.1
458.33487	2.2
471.30954	0.8
483.31204	10.4
484.31345	1.5
497.32678	0.5
501.32208	100.0
502.32584	18.7
515.33618	0.3
543.33453	3.4
544.33044	0.7
573.34186	0.4
657.04919	0.3
663.37366	1.1
723.39429	0.8
724.40570	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	723.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01382	35.5
61.13234	0.5
61.64948	0.5
61.98823	2.0
71.01379	5.7
71.05016	0.6
72.99313	1.3
73.02944	2.8
75.00893	0.8
85.02946	3.3
89.02437	2.6
95.01396	0.9
96.95501	0.8
96.96029	7.4
97.49425	0.5
101.02438	8.1
101.50564	0.6
101.63343	0.6
109.02955	0.6
113.02467	3.8
117.03480	1.0
119.03485	2.6
119.05026	1.4
133.02953	2.7
135.04514	4.9
145.02971	4.4
149.02448	0.8
161.02443	6.8
161.04530	1.9
163.04034	1.1
165.37555	0.7
171.10204	0.6
172.67941	0.6
178.45335	0.6
179.03517	2.5
197.04605	0.6
206.53168	0.7
267.06537	0.6
283.05984	0.7
291.53195	0.6
307.08255	0.8
311.05521	1.8
355.01987	0.7
357.25803	0.7
359.07343	0.8
363.27109	1.2
375.26752	0.7
377.28491	0.8
379.30045	2.0
387.26932	0.8
391.30017	2.3
393.28394	0.8
405.27972	1.6
407.29684	0.8
409.31146	14.4
410.31445	2.5
415.13916	1.0
423.29044	2.0
425.30704	2.0
427.32156	2.5
453.30087	5.7
454.30295	1.6
455.31769	5.3
456.32181	0.9
457.33279	5.8
458.33456	1.0
469.29730	1.1
471.31104	4.9
472.31287	0.7
475.29044	0.7
483.30756	1.6
489.32202	23.5
490.32568	5.7
501.32227	100.0
502.32523	18.0
513.31976	0.9
517.30566	1.3
537.20526	0.8
543.33508	1.8
612.50171	0.9
663.37354	8.4
664.38251	2.5
680.38745	2.0
723.22961	0.8
723.38116	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	723.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.5
61.98830	8.6
65.99632	0.7
66.15040	0.6
69.39657	0.5
69.40362	4.4
71.01385	7.1
71.05034	1.3
72.99306	2.5
73.02940	2.7
74.99255	0.6
75.00876	3.1
85.02956	3.9
87.00876	1.1
88.98808	0.7
89.02435	1.6
93.03451	1.2
95.01279	0.7
96.40233	0.7
96.95994	0.9
98.20592	1.0
99.00887	1.1
99.04543	0.7
101.02464	4.2
109.02950	2.2
109.06599	1.1
113.02467	4.0
113.06025	0.7
117.03458	1.8
119.03545	0.7
120.13602	0.6
123.04527	0.9
125.02412	0.7
133.02950	3.1
135.04515	7.5
137.02441	0.9
145.02940	5.7
145.05064	0.7
149.02400	0.7
159.04518	0.8
161.02458	11.1
161.04477	1.1
163.03993	0.8
179.03470	3.7
195.30130	0.7
197.04570	3.3
206.10303	0.8
223.16838	0.8
242.08464	0.7
267.06720	1.1
269.04568	2.3
283.33945	0.7
311.05493	1.0
311.22177	0.8
355.26685	0.7
359.07849	1.6
427.32114	1.8
453.30084	8.2
457.33334	4.5
471.31204	6.4
472.31274	1.2
483.31265	4.7
484.31528	0.9
501.32224	100.0
502.32587	20.8
578.21692	1.1
620.36591	1.4
652.81415	0.7
662.37677	1.2
663.37402	2.4
680.38635	13.3
723.35931	7.8
724.35834	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	723.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30217	0.4
58.34979	0.5
59.01380	47.4
60.01704	0.5
68.34953	0.5
69.95565	2.6
70.14062	0.5
71.01386	3.3
72.99319	0.7
73.02930	0.5
77.21616	0.5
85.02951	0.9
89.02435	1.9
95.01379	0.7
101.02444	3.2
113.02467	3.2
119.03489	1.9
119.08627	0.6
135.04562	0.7
161.02460	0.8
161.04559	1.3
171.88921	0.5
188.64824	0.5
210.15678	0.5
359.27396	0.8
367.89627	0.6
373.25327	0.6
377.28717	0.9
391.26193	0.6
407.29773	0.5
411.28879	0.8
413.89117	0.6
423.29062	1.6
425.30658	5.2
426.31351	0.6
439.32175	0.8
457.33282	6.5
458.33517	1.1
459.31107	1.8
460.31738	0.6
483.31955	0.7
501.32242	100.0
502.32626	18.8
502.38309	0.3
543.33221	2.4
576.66522	0.5
663.37854	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	723.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.1
57.03440	2.0
58.00609	1.7
59.01382	67.4
60.99309	1.2
61.93820	1.3
61.98834	2.3
69.85459	6.1
71.01384	28.9
72.99318	3.2
73.02956	13.6
75.00872	1.3
78.15686	1.0
78.39009	1.1
83.01397	8.7
85.02958	17.2
87.00892	1.6
87.30755	1.1
88.98827	1.7
89.02452	3.6
95.01364	1.8
97.02966	1.7
99.00884	4.4
101.02449	42.6
109.02995	1.6
113.02467	12.2
125.02407	1.1
128.97998	1.1
133.02985	1.9
135.04521	3.7
143.03534	1.7
154.72160	1.1
159.03038	2.7
161.02527	6.0
161.04558	19.4
179.03510	2.1
313.07370	1.4
343.35770	1.1
361.25586	1.3
389.28632	2.5
391.26093	1.2
403.26236	1.6
405.28094	2.1
419.29456	6.5
420.29611	1.5
421.31714	11.6
422.31833	2.5
423.29306	6.7
435.29208	3.4
437.30688	5.8
439.32199	4.5
453.30106	5.8
457.33160	4.4
465.30048	3.5
467.28110	2.3
471.31323	6.2
481.29514	2.1
483.31973	1.2
501.24893	2.0
501.32254	41.8
502.32602	9.2
583.36554	3.4
601.37408	5.9
615.35901	1.7
619.38629	11.7
620.38934	2.1
633.36621	6.3
634.36676	3.2
663.37488	100.0
664.37860	22.4
679.41052	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	723.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30217	0.4
58.34979	0.5
59.01380	47.4
60.01704	0.5
68.34953	0.5
69.95565	2.6
70.14062	0.5
71.01386	3.3
72.99319	0.7
73.02930	0.5
77.21616	0.5
85.02951	0.9
89.02435	1.9
95.01379	0.7
101.02444	3.2
113.02467	3.2
119.03489	1.9
119.08627	0.6
135.04562	0.7
161.02460	0.8
161.04559	1.3
171.88921	0.5
188.64824	0.5
210.15678	0.5
359.27396	0.8
367.89627	0.6
373.25327	0.6
377.28717	0.9
391.26193	0.6
407.29773	0.5
411.28879	0.8
413.89117	0.6
423.29062	1.6
425.30658	5.2
426.31351	0.6
439.32175	0.8
457.33282	6.5
458.33517	1.1
459.31107	1.8
460.31738	0.6
483.31955	0.7
501.32242	100.0
502.32626	18.8
502.38309	0.3
543.33221	2.4
576.66522	0.5
663.37854	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	723.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22524	0.4
59.01378	31.8
60.01728	0.5
61.98819	0.8
64.73767	0.3
70.07347	1.2
71.01387	2.1
72.99328	0.4
73.02937	0.4
83.05035	2.7
85.02953	1.1
89.02441	1.3
95.01412	0.4
95.21021	0.4
101.02445	2.9
113.02474	2.5
119.03489	0.8
119.81400	0.4
131.63414	0.4
135.04518	0.9
137.02487	0.5
149.35779	0.4
161.02480	0.6
161.04567	0.9
166.45264	0.4
268.79971	0.4
341.24814	1.7
353.25018	1.0
361.25168	0.6
373.27472	1.1
391.30630	0.5
400.47818	0.5
407.29822	1.0
419.29568	1.0
421.27350	0.4
429.30005	1.0
433.28049	0.4
451.28513	5.5
452.29141	0.8
457.33344	0.8
471.31302	0.7
483.31107	11.1
483.37878	0.8
484.31546	2.1
501.32214	100.0
502.32559	20.0
543.33118	2.6
544.33722	0.6
663.37164	0.9
679.37378	2.4
704.50830	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	723.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25134	0.4
55.01883	0.5
59.01382	29.1
69.03477	0.6
69.62479	2.1
71.01392	2.1
78.37772	0.3
81.90740	0.3
83.05026	2.5
85.02948	0.9
87.00907	0.3
89.02444	1.4
92.01731	0.3
95.01415	0.6
97.06562	0.3
100.87231	0.3
101.02448	2.2
109.02937	0.5
110.48158	0.3
113.02486	1.7
119.03498	1.5
119.05065	0.3
132.39777	0.3
135.04510	1.4
149.06055	0.8
161.02431	0.4
161.04546	0.9
161.06107	0.5
172.91550	0.4
177.05594	0.5
189.05550	2.6
207.06731	0.6
253.19606	0.4
283.28250	0.4
305.22784	1.0
308.00909	0.4
361.80533	0.4
387.26917	0.6
405.27960	1.2
411.16852	0.5
417.27927	0.8
429.30157	0.8
435.28790	0.5
439.32196	1.3
457.33157	1.1
471.31723	0.4
483.31082	9.3
484.31290	1.7
501.32236	100.0
502.32571	19.4
515.33685	0.8
543.33179	1.4
544.33282	0.4
663.37146	0.5
664.37866	0.5
723.24500	0.5
723.39044	0.6
754.23608	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	722.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.8
61.98835	9.9
64.98510	1.6
69.35973	4.2
69.36382	11.9
71.01383	5.7
72.99313	5.2
73.02948	2.1
75.00882	1.8
80.05061	5.6
85.02961	2.1
89.02433	3.6
93.03439	1.9
96.96032	8.8
99.00892	2.5
99.92612	3.0
101.02448	5.1
106.06627	3.5
107.03754	5.1
108.04554	2.7
109.02938	3.8
113.02457	3.4
116.92867	4.4
117.03458	2.9
119.05038	6.2
122.06116	35.0
122.06920	3.1
123.04530	1.8
130.08762	3.0
132.04546	2.8
133.02940	8.8
134.06105	9.2
135.04530	17.4
136.04811	1.7
136.07700	3.8
142.59645	1.7
145.02971	9.5
146.06091	3.1
147.04373	1.8
148.04016	3.5
151.03969	1.6
152.05965	3.5
152.07175	54.3
153.07498	3.1
159.04489	2.2
161.02446	17.4
163.03966	8.2
174.05644	3.0
175.04042	2.3
179.03485	4.7
180.06705	8.1
187.04022	1.9
188.07162	18.9
197.04544	5.0
211.08778	4.8
213.10326	1.6
223.08597	1.8
225.10396	5.6
227.11853	6.2
229.01439	4.9
230.01862	1.5
239.08484	1.5
239.11794	1.9
245.12946	4.7
251.11870	4.5
252.09062	3.2
253.09923	9.0
254.10245	1.7
265.09775	3.8
267.06570	1.9
267.11334	7.3
277.09811	2.9
279.07935	2.0
279.11313	4.5
285.12515	3.3
293.09412	3.7
294.09958	2.6
295.06030	3.2
295.07529	2.3
295.10889	39.2
296.06610	2.0
296.11185	5.0
307.10886	15.6
308.11417	2.3
311.05649	2.0
313.11981	1.7
323.10239	2.9
339.04962	7.2
339.09616	3.4
340.05447	9.7
341.05557	7.4
343.52872	1.8
400.16428	2.0
432.19333	3.3
436.19272	2.0
452.28815	2.1
460.18765	32.1
461.19257	6.4
476.18350	4.9
499.30777	16.0
500.31155	16.6
501.32135	33.1
504.17804	90.5
505.18042	16.1
508.20798	3.5
517.30005	2.0
536.20398	100.0
537.20844	24.4
565.23718	2.7
609.23584	4.2
619.23132	1.7
627.24506	11.9
641.26416	3.9
659.27222	12.2
660.27008	3.4
678.34747	4.4
722.34143	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	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.4
61.98835	4.9
71.01382	4.8
71.63237	0.6
72.99313	0.5
73.02956	1.0
80.02675	0.5
81.03466	1.2
83.01417	0.6
83.05038	1.2
85.02958	1.8
87.00881	1.4
89.02443	2.0
90.67921	0.4
92.75665	0.3
93.03465	0.5
95.01373	0.5
97.02952	3.6
99.00875	1.0
101.02435	4.0
109.06594	14.9
110.03745	0.7
110.06938	0.6
111.00882	0.4
113.02438	1.9
116.03687	0.4
116.92831	1.0
121.06591	1.0
125.09643	0.5
135.08160	2.1
136.05324	1.2
142.02734	1.4
145.05118	0.5
145.10301	0.6
152.11646	0.4
161.04604	1.9
161.09715	1.1
163.11287	9.1
181.12357	1.3
189.09268	2.2
191.72920	0.4
207.10258	51.3
208.10518	3.6
209.11879	0.8
225.11310	15.4
226.11655	1.0
235.08200	4.7
253.09273	9.5
254.09663	1.0
259.20477	0.5
277.21716	100.0
278.22049	9.7
281.13956	0.6
299.15158	0.6
441.33902	0.7
443.19125	2.7
461.20346	4.1
462.20267	0.5
485.32782	0.5
513.30646	0.6
517.98413	0.5
559.36200	0.5
703.40564	0.9
704.40491	0.5
721.41602	22.5
722.41840	6.3
742.31915	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	721.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19609	0.2
59.01381	100.0
60.01725	1.0
61.98834	2.9
71.01384	1.8
72.99328	0.3
73.02948	0.5
74.49377	0.2
75.00869	0.5
76.10429	0.2
81.15929	0.2
83.01392	0.3
85.02958	0.6
87.00894	0.4
89.02463	0.6
96.96029	0.2
101.02471	0.9
109.02992	0.4
113.02480	0.6
122.06170	0.2
123.77247	0.2
125.02384	0.2
133.02928	0.5
135.04555	0.7
137.02446	0.3
145.03000	0.2
149.02480	0.2
161.02469	1.4
179.03435	0.3
184.05298	0.2
197.04620	0.3
199.07718	0.4
203.03821	0.2
203.05714	0.3
267.06656	0.3
307.59354	0.2
309.00247	0.2
323.22217	0.3
401.71332	0.2
409.13358	0.2
457.33536	0.6
538.34558	0.2
661.39557	1.5
662.40179	0.3
679.40814	0.4
721.41699	3.1
722.42279	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	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
57.03447	0.2
59.01380	100.0
60.01705	1.3
61.98834	0.5
63.71070	0.1
69.31526	1.4
71.01385	3.6
72.99301	0.3
73.02951	1.1
83.01407	0.6
85.02943	1.4
87.00864	0.2
89.02451	0.7
95.01385	0.3
97.02963	0.2
98.20647	0.3
99.00896	0.4
101.02451	2.4
109.09741	0.1
113.02454	1.5
114.23734	0.1
119.03519	0.3
122.47804	0.1
124.39129	0.1
133.03012	0.2
135.04555	0.2
143.03481	0.3
145.03113	0.1
161.02472	0.5
161.04564	1.5
179.05605	0.3
199.07663	0.2
203.05669	0.3
296.30066	0.1
299.05423	0.2
300.06516	0.2
311.05899	0.2
373.82187	0.2
441.30206	0.3
457.33228	2.0
458.33948	0.4
553.35431	0.2
601.37488	5.5
602.37842	1.2
619.38599	3.8
619.48846	0.2
620.39020	0.9
661.39594	6.0
661.50330	0.3
662.39935	1.6
721.41956	0.5
722.41583	0.2
742.54724	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	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40641	0.4
53.32362	0.3
54.29557	0.4
55.01871	0.4
55.09882	0.4
57.03451	0.4
59.01381	13.6
61.98827	3.1
66.65266	0.3
69.03457	0.6
71.01385	5.6
72.99319	0.7
73.02950	0.9
80.02686	1.6
81.03452	2.6
81.58852	0.4
83.01382	0.8
83.05029	3.1
84.02145	0.4
85.02930	2.1
87.00881	1.1
89.02441	3.9
95.01393	0.7
95.05046	0.7
97.02953	6.1
97.06593	0.5
99.00871	1.1
101.02432	6.0
107.05041	0.9
109.06590	38.6
110.03752	0.6
110.06931	0.9
111.04503	0.5
113.02465	3.3
116.92828	0.9
119.03499	1.0
121.06601	1.8
122.75717	0.5
123.04505	0.8
125.09698	0.9
129.01936	0.7
135.08162	4.6
136.05313	1.3
142.02745	2.2
145.10149	0.6
159.12990	0.4
161.02414	0.5
161.04539	1.7
161.05765	0.5
161.09657	2.3
163.11287	17.8
163.12665	0.9
164.11591	1.3
179.05586	0.5
179.10809	0.4
181.12350	3.9
189.09222	4.2
207.10262	100.0
208.10585	6.4
209.11826	1.9
225.11319	36.2
226.11642	2.5
235.08180	3.1
243.12318	0.7
253.09286	13.6
254.09680	1.1
259.20544	0.5
275.20096	0.8
277.21710	73.2
278.22070	7.0
281.13889	0.9
299.14978	1.4
423.32904	0.7
441.33853	2.4
443.19205	4.2
461.20245	12.9
462.20432	1.3
467.31631	1.1
485.32727	0.7
518.45770	0.5
568.30414	0.4
658.71008	0.4
703.40784	0.6
721.41650	29.8
722.41998	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	721.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.5
59.01382	100.0
60.01727	1.6
61.57845	0.8
61.98836	8.5
71.01382	16.0
71.62872	1.3
71.63256	1.2
72.73251	0.8
72.99326	1.8
73.02950	3.8
83.01371	1.3
85.02938	6.2
87.00890	1.9
89.02448	6.4
95.01424	1.1
97.02999	1.0
97.95511	0.9
99.00897	1.5
101.02440	10.5
104.25323	0.8
105.16487	0.9
109.02960	0.9
113.02441	6.9
119.03521	1.9
122.06169	0.9
124.87153	0.8
133.02956	3.1
135.04549	3.9
143.03546	1.8
145.02962	1.3
161.02417	5.8
161.04568	4.0
179.03537	1.1
179.05592	1.4
197.04565	1.3
209.11794	1.8
238.91333	0.9
373.16092	1.1
407.29510	3.3
425.30887	1.3
455.31671	2.6
473.32703	4.1
484.25934	1.1
569.34875	1.5
617.36920	27.9
618.37323	7.1
635.38239	8.1
636.38190	1.6
661.36871	1.2
677.39410	13.5
678.39471	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	721.4164
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
55.01866	1.2
57.03439	1.6
58.00581	1.3
59.01382	49.5
60.01699	1.6
61.31964	0.9
61.98824	2.9
69.03451	0.9
70.37202	1.4
70.37551	2.2
71.01381	10.0
72.99301	2.4
73.02949	5.5
75.00848	0.8
82.37016	0.7
83.01387	2.9
85.02957	2.9
86.00111	0.7
87.00893	1.0
89.02444	2.7
99.00867	2.1
101.02434	5.3
113.02444	2.2
119.03503	1.0
119.04991	0.9
123.04418	0.8
123.08106	0.9
131.23792	0.8
133.02928	2.7
135.04530	5.9
143.03508	1.0
157.63112	0.6
161.02428	8.0
161.04532	0.7
162.02728	0.8
163.04031	0.9
179.03465	2.9
197.04604	1.0
198.44833	0.8
209.11835	0.8
218.05783	0.7
302.02310	0.8
311.05487	0.8
386.70816	0.7
455.31616	1.1
499.34009	1.7
501.36481	0.8
517.35437	4.6
518.35455	0.9
531.27814	1.0
559.36633	4.8
609.24042	0.8
661.37494	5.2
662.38763	1.6
679.40430	4.9
721.41663	100.0
722.42078	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60772	0.2
54.77330	0.2
57.06188	0.2
59.01382	100.0
60.01716	0.8
61.98832	0.7
66.47793	0.2
69.36867	1.9
71.01376	1.1
72.99309	0.3
73.02940	0.4
85.02966	0.5
85.18333	0.2
85.71989	0.2
87.00879	0.4
89.02463	0.3
96.36395	0.2
101.02454	0.7
102.10368	0.2
110.23741	0.2
113.02435	0.6
133.03000	0.3
135.04558	0.8
145.02988	0.2
161.02444	1.5
162.02902	0.3
179.03439	0.4
208.83105	0.2
226.85356	0.2
311.05731	0.4
441.16541	0.2
461.87457	0.2
501.31885	0.3
601.37262	0.3
661.39697	2.7
662.40356	0.6
679.40649	0.3
721.41876	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	721.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98833	10.5
71.01370	11.9
71.62633	2.4
73.02940	4.1
83.01392	5.3
84.95110	2.0
85.02947	5.0
85.43729	1.5
87.00878	3.2
88.10224	1.4
89.02477	1.8
95.80132	1.2
96.96040	2.3
99.00859	2.3
101.02444	12.0
104.18980	1.4
109.02950	2.3
109.99001	1.5
113.02422	7.8
116.61484	1.4
125.02428	1.9
133.02951	4.0
135.04504	4.3
143.03502	2.1
145.02991	1.5
161.02466	10.5
161.04544	5.5
162.02740	2.1
179.03439	2.8
181.22325	1.4
185.16530	1.4
199.07607	2.0
214.40063	1.2
225.11469	1.7
239.41270	1.6
260.29355	1.4
271.06122	3.6
300.06262	5.7
311.05630	2.2
384.50916	1.8
397.12869	5.1
409.13101	2.3
453.29935	2.9
473.32700	26.9
474.33066	5.7
515.34149	2.3
599.35321	1.5
617.36829	18.6
618.36975	3.4
619.38568	2.7
634.83148	1.5
635.37988	13.5
636.38361	4.6
661.38733	2.6
677.38751	8.2
678.39417	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	721.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
59.01379	100.0
61.05516	1.5
61.98830	8.9
71.01382	16.4
73.02928	4.1
79.31825	1.4
83.01417	2.1
85.02942	6.3
87.00887	1.6
89.02432	4.7
101.02461	12.1
113.02427	5.9
118.63295	1.4
119.03468	2.6
123.04590	1.8
133.02948	3.2
135.04512	4.9
143.03487	1.4
159.03101	2.1
161.02463	8.5
161.04539	4.6
179.03496	3.3
197.04573	1.7
209.11873	2.8
218.96512	1.4
367.31339	1.4
396.17303	1.7
407.29639	2.0
455.31607	2.2
473.32455	4.2
587.35486	2.0
617.36871	25.9
618.37079	4.8
635.37939	7.1
677.39429	11.5
678.39380	2.5
721.38153	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	721.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69157	1.9
59.01381	100.0
60.01707	2.1
61.98848	10.1
61.99094	1.6
71.01384	15.0
71.05032	2.1
72.15031	1.7
72.99315	1.5
73.02941	5.7
75.00855	1.6
80.08012	1.6
83.01393	3.8
85.02940	5.9
87.00893	2.2
89.02452	2.4
101.02453	16.6
106.20087	1.5
109.02999	1.8
113.02464	6.8
125.02359	2.0
132.71198	1.8
133.02959	3.3
135.04532	6.5
137.02362	1.8
149.02438	3.3
161.02454	9.8
161.04570	3.5
179.03484	2.3
184.05225	1.5
199.07661	4.7
288.81418	1.6
386.79358	1.7
440.00601	1.8
442.15817	1.5
453.30197	2.6
467.31512	1.8
473.32690	49.4
474.32999	9.6
559.15192	1.8
617.36938	40.8
618.37476	11.7
619.38025	2.0
635.37939	17.4
636.38348	4.7
661.39191	7.2
677.39282	21.1
678.39612	6.4
721.41577	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	721.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
56.98138	0.9
59.01381	100.0
60.01735	0.9
61.98846	1.3
69.38551	5.9
71.01380	9.7
71.04991	0.7
72.99297	0.7
73.02946	4.6
83.01373	3.9
85.02951	4.9
89.02471	1.9
95.01379	1.2
97.02997	1.0
99.00887	1.5
101.02441	11.0
101.03059	0.7
108.05225	0.7
113.02463	4.8
125.02393	1.6
133.02979	0.7
135.04559	1.4
143.03539	1.6
158.38834	0.6
161.02469	2.5
161.04620	2.7
172.02791	0.7
179.03529	0.6
179.05789	0.7
184.05287	0.7
199.07671	1.1
221.57489	0.6
225.92543	0.6
251.64235	0.6
253.74280	0.7
441.30417	1.8
453.30435	1.1
457.33508	3.7
473.32657	5.7
601.37439	6.5
602.38354	2.0
617.37103	4.8
618.37811	1.4
619.38586	11.2
620.39111	1.8
635.38025	8.6
636.38727	2.0
661.39667	9.3
662.40521	2.1
677.39032	10.6
678.38574	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	721.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20614	1.2
55.01876	1.2
59.01382	100.0
61.98832	3.0
63.01292	1.2
71.01384	22.3
71.05016	2.4
72.99313	2.5
73.02950	14.4
80.58539	1.3
83.01388	4.8
85.02950	4.3
87.00867	3.0
89.02444	9.0
95.01368	2.3
96.95998	4.3
99.00903	1.7
101.02453	17.3
113.02453	10.8
119.03500	4.1
123.04618	1.5
126.90474	11.1
133.02985	3.0
135.04526	5.3
154.90108	1.1
160.80887	1.2
161.02438	5.5
179.03531	3.0
205.54218	1.4
377.28421	1.4
407.29434	2.2
419.29532	2.2
437.30511	15.1
438.30762	2.1
455.31653	12.1
473.32745	2.6
499.30771	2.4
517.31610	26.9
518.32153	4.4
559.32776	4.1
617.21729	1.7
617.36969	34.4
618.37640	7.6
635.38043	28.5
636.38696	6.2
647.20142	1.6
677.39185	89.5
678.39429	23.6
721.38104	24.9
722.38202	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	720.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
61.98833	100.0
71.00744	0.2
71.32902	0.2
76.46680	0.2
161.02463	1.0
207.10243	0.5
225.11362	0.7
277.21780	0.7
279.23355	0.3
318.65137	0.2
416.61331	0.2
535.64380	0.2
602.21942	0.6
660.22223	0.3
719.24255	0.2
720.23267	2.8
721.23279	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	721.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
59.82556	0.6
68.85134	0.6
69.72423	3.7
71.01379	6.2
72.99333	0.9
73.02952	4.9
79.88055	0.6
81.03436	0.8
83.01389	1.8
85.02933	1.0
89.02464	1.2
91.01900	0.7
101.02441	5.9
105.03476	0.8
108.02179	3.1
109.02955	100.0
110.03284	3.6
113.02444	2.6
119.03558	1.3
119.05028	2.7
121.02922	0.8
123.04517	2.9
131.05035	2.2
131.07080	1.2
133.02957	5.7
135.04520	10.3
137.02483	0.8
145.02975	2.6
146.03720	2.1
147.04501	7.6
149.04553	1.7
151.03993	1.3
158.03822	1.7
159.04523	35.1
160.04883	1.5
161.02415	4.3
161.04579	1.7
161.06046	0.8
163.03993	1.9
174.03191	0.8
175.04002	8.0
177.02048	0.9
179.03476	4.9
179.07104	1.5
191.03479	0.9
198.06870	0.8
199.07603	0.7
203.03493	25.1
204.03885	1.8
221.06525	1.3
223.07695	0.6
225.05507	0.7
226.06433	0.9
227.07040	0.9
237.05591	1.8
239.07074	1.0
247.02475	2.3
251.07111	2.0
252.07794	0.8
253.05060	1.9
254.05826	6.9
255.06561	1.5
267.06586	3.8
268.07333	0.8
269.08191	44.7
270.08640	3.1
293.12354	1.2
295.06216	2.0
307.03699	0.8
311.05588	0.7
313.07162	22.5
314.07541	2.1
342.23813	0.6
357.06149	76.5
358.06421	8.7
379.04175	0.6
395.01566	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	721.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.4
71.01037	0.6
71.01390	5.7
71.62022	0.6
71.62440	0.5
73.02962	5.4
74.03334	0.6
81.03447	0.8
83.01398	2.3
89.02454	1.6
101.02444	6.0
108.02190	2.3
109.02959	100.0
110.03279	3.4
113.02488	2.6
115.05507	0.8
119.03498	0.6
119.05055	1.3
123.04493	2.6
130.04213	0.8
131.05008	1.8
131.07117	0.7
133.02966	6.3
135.04541	9.4
137.02484	1.1
143.03482	0.8
145.02945	2.1
146.03738	2.5
147.04536	7.3
149.04553	1.3
151.04004	0.9
158.03697	1.1
159.04526	33.9
160.04929	2.2
161.02451	5.7
161.04567	1.9
163.04070	1.4
164.04561	0.7
174.03204	1.1
175.04019	7.1
177.01897	0.8
179.03448	3.1
179.07086	1.3
191.03488	1.0
195.03000	0.6
197.06070	0.8
198.06908	1.0
199.07657	1.3
203.03522	23.5
203.05447	1.2
204.03804	1.5
221.06656	1.0
223.07626	1.0
225.05565	1.0
226.06343	0.7
237.05658	1.9
238.06146	0.6
239.07188	1.3
241.08591	0.6
247.02534	2.6
250.06242	0.9
251.07114	3.3
252.07957	1.0
253.05078	2.8
254.05833	3.9
255.06583	1.3
266.06003	1.0
267.06580	4.0
268.07355	0.9
269.08197	41.7
270.08585	4.3
293.12372	1.8
295.06076	2.5
313.07156	22.6
314.07571	1.9
349.11340	0.7
357.06158	81.9
358.06549	9.4
395.01788	3.0
612.40704	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	720.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12903	0.6
59.01094	0.6
59.01379	8.9
61.98817	2.5
71.01387	5.0
72.99312	2.1
73.02937	2.5
83.01403	0.6
85.02944	1.6
88.00809	0.5
89.02438	1.3
93.03470	0.7
96.96013	5.8
101.02446	2.7
108.02177	1.0
109.02954	16.5
113.02438	1.5
117.03510	1.3
119.03491	0.9
119.05004	2.3
121.02962	1.3
129.03436	1.7
131.05031	0.9
133.02965	2.5
134.06062	0.6
135.04524	4.9
135.74797	0.6
137.02400	1.2
138.05623	1.1
145.02953	6.1
146.03613	1.2
147.04535	11.8
152.25864	0.5
156.62740	0.7
157.02953	4.2
158.03664	1.7
159.04523	13.3
161.02443	9.5
161.04501	0.8
162.02794	2.1
163.03961	1.6
173.02429	2.9
174.03256	1.3
175.03908	3.5
179.03494	2.9
185.02448	4.0
186.03102	0.9
187.03993	1.2
191.97350	0.6
193.06604	0.8
197.04524	1.5
197.06117	0.7
203.03517	1.1
209.06190	0.8
211.07617	0.7
221.06065	1.7
222.06754	1.0
224.04863	1.0
225.05525	1.1
229.01395	26.6
230.01855	1.8
233.05968	0.6
237.05563	1.0
238.06389	1.2
239.07176	3.0
239.11829	0.7
240.07773	0.7
248.04758	2.3
249.05537	5.1
250.06335	2.8
251.07210	0.8
253.04967	1.4
254.05504	0.7
261.05521	0.7
265.05038	2.1
266.05878	2.2
267.06616	18.0
268.07080	2.1
269.08185	2.4
277.05069	11.4
278.05673	2.9
280.03873	0.7
281.04578	0.7
285.12552	0.9
293.04526	3.9
294.05222	2.6
295.06088	21.7
296.06519	1.5
311.05597	0.8
313.07202	0.7
339.05072	100.0
340.05408	11.2
359.07825	1.3
360.08063	1.3
499.30887	3.5
513.26691	0.8
514.27368	0.8
516.32159	0.8
552.23303	1.0
632.17975	2.4
633.18085	0.7
633.36646	0.8
657.15527	0.8
675.37903	1.1
676.37476	0.8
677.34583	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	719.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.1
61.98829	11.8
69.41132	12.8
69.41559	13.4
71.01395	6.0
73.02927	3.9
85.02954	4.3
116.92876	4.3
133.03047	4.2
135.04500	9.5
139.07117	3.2
161.02440	16.6
179.03482	4.2
262.92047	3.5
385.96844	3.8
471.34906	16.0
472.34943	3.9
615.38965	23.9
616.39032	5.3
633.40167	16.2
675.41058	100.0
676.41089	28.3
702.39307	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	719.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03451	1.1
59.01384	100.0
60.01725	1.4
60.99302	3.5
61.98837	15.3
67.34212	1.2
69.35797	10.3
71.01386	15.0
73.02951	4.0
78.95879	1.4
82.86987	1.1
83.01389	3.3
84.44947	1.0
85.02956	9.9
95.01380	1.7
97.02972	1.4
101.02454	5.6
102.56988	1.1
113.02434	4.7
125.02451	1.3
135.04492	1.6
143.03461	5.2
146.71066	1.1
161.02405	4.2
161.04514	2.5
261.42188	1.2
407.33038	5.1
409.34857	1.7
428.35983	1.4
439.32144	1.4
441.33710	3.6
453.33514	1.7
505.36905	3.9
553.39099	6.6
585.37854	3.7
604.14465	1.3
615.38580	2.5
619.39191	1.4
633.40112	14.7
634.40369	3.2
675.41071	27.7
676.41443	9.6
744.72522	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	720.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60209	0.9
56.36688	1.1
59.01379	21.2
61.98830	9.0
66.00522	0.9
70.94727	1.5
70.95042	1.4
71.01385	11.9
72.99293	2.0
80.09103	1.0
83.01369	2.4
85.02943	6.4
89.02450	4.6
89.31332	1.2
93.03448	1.5
95.01404	1.5
95.05045	1.4
96.96002	3.2
101.02444	11.7
105.03455	3.9
107.04986	1.5
108.02182	1.5
109.02958	17.3
113.02446	5.0
117.03483	2.5
119.03546	2.4
119.05014	3.7
121.02937	2.8
123.04527	1.8
133.02962	23.4
134.03801	6.8
134.06085	1.4
135.04526	100.0
136.04837	3.2
136.07625	1.3
137.02448	2.7
145.02928	8.7
146.03731	2.6
147.04552	6.0
151.04005	1.5
157.02893	2.8
159.03345	1.0
159.04532	7.8
161.02448	23.4
161.04506	2.4
162.02803	3.7
163.03990	2.6
171.22473	1.1
173.02426	3.2
175.03917	1.5
177.01895	11.7
178.02495	1.6
179.03494	54.9
180.03818	3.3
183.54454	1.0
193.06587	1.5
197.04588	2.6
198.04935	1.6
203.03427	2.0
206.70184	1.1
209.06050	8.3
211.07526	1.2
221.06012	2.7
224.04683	1.2
225.05592	1.1
229.01408	12.2
233.29837	1.3
237.05560	34.1
238.06070	4.3
239.07152	1.9
240.04327	1.4
241.05034	1.9
248.04768	3.0
249.05489	2.6
250.06200	1.7
253.05074	2.0
254.05835	2.2
255.06560	5.0
263.07098	1.4
264.04105	1.3
265.05038	30.8
266.05777	18.1
267.06604	19.4
268.06876	1.8
277.05075	6.0
278.05692	2.2
279.06589	3.7
281.04611	2.0
282.05246	3.6
283.06180	10.0
291.06683	14.3
292.07068	2.6
293.04675	2.3
294.05206	1.5
295.06119	12.7
311.05481	1.8
335.05862	1.3
339.05081	48.0
340.05368	4.6
359.07761	2.8
360.08063	1.9
401.10275	13.3
402.10379	1.8
445.09302	13.2
446.09839	2.1
455.31439	1.6
472.25912	1.1
495.12671	1.3
499.30356	2.3
505.17471	1.3
513.26831	3.5
514.27405	2.1
515.29584	1.4
550.21899	1.2
559.32697	7.9
625.13245	7.4
626.13196	2.3
657.16180	62.6
658.16492	15.7
675.32251	4.2
676.32745	3.3
721.37646	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	719.202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52774	3.4
59.01382	7.8
62.86096	3.1
65.98576	3.0
71.01383	4.9
88.59325	3.2
89.02445	7.4
92.22414	3.1
104.49032	3.1
165.28130	4.0
167.45557	3.1
215.03268	6.8
219.86217	3.2
234.09100	3.3
272.84766	3.1
341.10919	24.7
377.08545	100.0
378.08960	9.9
675.53674	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	719.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.1
63.53177	4.9
69.68927	13.4
69.69332	20.1
71.01366	8.0
89.02436	9.6
92.67272	5.2
92.92800	15.7
94.92464	11.5
144.53423	5.3
184.75871	6.6
215.03256	7.8
334.68207	5.3
341.10858	34.2
377.08545	100.0
378.09344	8.3
424.90320	6.7
702.17548	6.8
719.49902	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	718.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.5
60.01688	0.5
61.98831	9.6
63.85238	0.6
66.29497	0.5
69.03464	0.6
71.01379	1.4
71.65755	0.7
72.99316	2.8
82.71919	0.5
85.02963	0.6
89.02458	1.0
99.23238	0.5
109.02952	2.4
119.05048	4.9
121.02986	1.1
123.04514	0.7
126.90490	0.9
132.02187	0.7
133.02953	18.2
134.06140	1.1
135.04530	13.5
136.04823	0.8
145.02927	1.6
147.04526	1.1
149.02438	4.5
150.03212	4.1
161.02446	100.0
162.02776	5.3
163.04010	8.1
179.03484	5.7
180.03839	0.8
181.05072	21.7
182.05426	1.2
184.05334	2.8
197.04564	1.8
199.07628	3.7
200.08052	0.7
267.06622	8.4
283.06268	1.2
293.09491	0.7
294.09436	0.7
311.05594	12.4
312.06082	1.3
313.07202	2.0
339.62918	0.6
343.08224	36.4
344.08527	4.2
357.06631	0.6
359.07712	3.2
366.77164	0.6
475.10284	0.9
503.33725	0.7
504.18680	0.6
505.11331	1.7
513.32434	1.9
514.32050	1.6
594.23615	2.0
595.24152	0.9
655.15051	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	718.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73269	0.4
57.69261	0.4
58.95963	0.4
59.01370	1.3
61.98834	8.4
64.12251	0.5
69.43068	4.2
71.01406	0.7
71.63638	0.4
72.99315	1.7
81.29702	0.5
86.44455	0.4
90.69810	0.5
90.92876	0.5
93.03500	0.5
109.02934	2.5
119.05017	4.7
121.02988	1.1
132.02165	0.7
133.02957	16.7
134.03340	0.5
135.04520	10.7
135.05475	0.8
143.65939	0.5
147.04532	0.6
149.02429	4.3
150.03221	4.1
158.27423	0.5
161.02448	100.0
162.02791	4.5
163.04010	10.2
179.03517	5.2
181.05063	22.8
182.05374	1.1
184.05327	0.8
199.07565	1.3
250.06323	0.6
267.06601	8.1
268.07172	1.4
283.06143	1.1
309.37054	0.5
311.05603	12.6
312.05966	2.0
313.07202	2.2
337.03577	0.6
343.08218	43.2
344.08417	3.9
359.07925	1.0
426.17050	0.5
473.66315	0.4
475.10358	1.1
505.11340	1.2
655.14221	0.6
718.27393	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	717.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88661	2.7
56.97297	2.7
59.01381	41.8
61.98833	37.4
71.01383	15.9
71.65958	3.6
73.02953	6.7
73.54507	2.8
78.95908	3.2
83.01398	4.1
85.02935	9.7
99.92578	5.7
101.02451	10.9
109.02971	3.4
113.02426	4.7
120.74851	3.4
133.02974	4.6
161.02461	11.8
189.78313	3.2
201.62810	3.3
243.98358	3.3
286.88831	3.5
393.08163	3.2
407.33289	5.3
469.33160	4.3
471.33685	3.5
487.33911	4.1
569.38806	4.4
613.37433	23.5
614.37744	5.3
631.38391	5.9
673.39551	100.0
674.40002	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	718.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22738	0.3
59.01382	6.2
61.98834	7.8
70.40061	0.6
70.40441	1.1
71.01372	1.2
71.46290	0.3
72.99310	2.6
73.02962	0.5
83.01387	0.4
85.02955	0.5
92.10851	0.3
96.96017	0.4
101.02439	1.1
108.02141	0.4
109.02957	2.7
113.02448	0.7
119.05025	5.2
121.03006	0.6
122.06153	0.5
123.04569	0.4
132.02194	1.0
133.02962	17.5
134.03294	0.4
134.06099	0.5
135.04530	13.2
136.04857	0.7
141.76651	0.3
145.02965	1.1
147.04559	0.5
149.02477	2.2
150.03209	0.6
159.04483	0.4
161.02452	100.0
162.02779	4.6
163.04019	9.2
164.04457	0.4
174.03255	0.6
175.48611	0.3
179.03514	6.0
180.03824	0.4
181.05078	22.9
182.05464	1.5
182.98570	0.3
184.05299	0.7
187.07623	0.4
197.04463	0.7
199.07661	1.3
211.07649	0.4
218.29648	0.3
233.09717	0.3
237.05698	0.4
239.07219	0.4
250.06424	0.5
253.04958	0.3
255.06819	0.5
265.05215	0.6
266.05771	0.4
267.06622	8.7
268.07202	0.9
283.06134	1.8
293.04703	0.8
293.91171	0.4
301.22336	0.3
311.05621	18.1
312.05927	2.0
313.07205	1.4
337.03491	1.6
343.08218	38.1
344.08578	4.5
359.07724	0.3
447.10788	0.3
475.10275	1.9
505.12091	0.4
509.10846	0.8
564.22717	0.4
597.33801	0.4
615.35431	0.8
655.14563	1.0
656.15851	0.5
657.36023	0.7
673.41040	0.8
674.41510	0.6
685.28674	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	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.95238	1.2
60.49767	1.0
61.98835	28.0
62.29300	1.1
71.20110	2.1
78.95892	2.1
84.53656	1.3
86.81289	1.2
96.10158	1.1
116.30446	1.2
126.14665	1.3
135.04578	1.4
143.31453	1.2
161.02469	2.0
209.11855	1.8
219.87981	1.2
277.18985	1.3
277.21719	5.3
452.11212	1.5
457.18747	2.1
459.16962	2.8
481.11633	2.1
496.13834	15.7
497.14362	8.4
498.15668	2.6
510.15662	5.4
511.16052	7.5
512.16547	3.5
513.17651	4.0
539.19202	2.3
544.15906	6.2
545.16455	3.6
567.18738	12.2
568.18799	3.4
571.18427	14.2
572.18658	3.4
597.19836	2.4
598.20538	2.0
599.21558	35.4
600.21710	8.6
602.16583	2.0
625.19507	2.0
630.19836	3.3
631.20563	1.5
657.22186	18.4
658.22253	5.1
716.40485	1.4
717.24225	73.7
718.24286	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	717.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.7
61.21772	8.4
61.98835	40.0
65.07002	7.6
70.85822	16.8
70.86155	15.4
87.64510	9.9
88.05254	9.0
89.02452	9.8
101.02450	12.8
111.90610	7.4
119.03519	10.3
130.28661	7.8
130.76640	7.9
143.30954	8.6
153.64760	8.6
159.10275	19.8
161.02504	14.9
214.76711	8.6
235.07962	9.0
255.23427	10.8
272.12375	9.9
277.21622	13.2
279.23016	8.6
283.26483	45.2
326.62604	8.9
397.13495	100.0
398.13846	13.1
399.75217	8.8
415.14487	25.4
614.31915	8.4
681.39813	14.8
717.38403	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1461
Annotation	Clinopodic acid I
Peak:m/z	Relative Intensity
55.27106	0.3
59.01361	0.3
59.25223	0.3
61.98807	0.4
69.30762	2.8
69.31149	0.5
72.99310	11.6
74.36054	0.3
80.99111	0.3
86.02241	0.3
93.03437	0.3
95.76365	0.3
96.28307	0.3
105.03484	0.3
109.02952	2.0
117.03423	0.3
118.95905	0.3
123.04531	6.7
128.51842	0.3
132.02196	0.6
132.54527	0.3
133.02957	23.8
134.03415	0.9
135.04529	14.6
136.04828	0.6
139.43492	0.3
147.04428	0.3
151.03998	1.3
159.04500	0.6
161.02446	100.0
162.02782	5.3
163.04079	0.3
179.03500	13.0
180.03900	0.6
197.04556	15.9
198.04865	1.0
223.02606	0.6
257.12860	0.3
267.06674	0.6
268.07138	0.3
269.08197	0.8
271.22797	0.3
295.06018	1.3
313.07196	4.6
314.07587	0.5
331.08365	0.4
339.05060	1.9
357.06134	1.1
359.07727	26.3
360.08118	2.4
519.09406	1.2
717.30786	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	717.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79455	0.5
59.01371	2.2
61.98826	2.4
71.01362	0.8
72.99309	11.8
75.26381	0.5
85.32302	0.5
94.75880	0.5
98.19865	1.5
109.02959	2.0
123.04520	6.7
132.02164	0.7
133.02953	21.2
134.03741	1.1
134.06215	0.7
135.04524	18.7
136.04839	1.1
136.07663	1.1
137.02444	0.8
138.05598	1.4
150.03232	0.6
151.04001	2.1
159.04503	0.8
161.02444	100.0
162.02759	5.7
179.03485	13.3
179.05861	0.5
190.05138	0.8
197.04539	19.6
198.04947	1.2
257.12869	0.9
269.08093	1.0
281.08707	0.5
295.06180	1.2
301.12012	0.6
306.26730	0.4
313.07196	4.2
314.07849	0.6
319.13080	1.2
337.11731	0.5
339.05194	0.9
357.06131	1.2
359.07730	30.0
360.08102	3.4
397.14066	1.6
504.33893	0.6
519.09357	0.8
570.09143	0.5
717.32922	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	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98831	100.0
70.05026	0.3
116.26836	0.1
117.69393	0.1
121.57572	0.1
138.01115	0.1
138.02161	0.1
183.69781	0.1
300.35092	0.1
315.72104	0.1
450.03806	0.1
654.13049	0.1
727.92926	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	716.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
61.98830	100.0
62.98536	0.2
73.69300	0.1
76.05071	0.1
90.35740	0.1
94.13989	0.1
94.46399	0.1
110.86919	0.1
120.11336	0.1
123.76940	0.2
126.90507	0.2
135.04504	0.2
148.90381	0.2
152.76006	0.1
161.02454	0.3
230.53613	0.2
255.23143	0.2
530.31104	0.1
717.24731	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	715.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	42.4
61.98825	1.1
69.04327	0.5
70.34934	0.5
80.05066	3.9
94.06635	0.6
104.05079	1.1
106.06624	7.0
107.03777	1.4
108.04576	2.0
120.04549	3.4
120.08189	1.4
121.05344	0.6
122.06124	20.1
123.06470	0.7
130.06636	1.4
132.04599	1.0
133.03029	0.6
134.06125	34.8
135.04526	1.2
135.06525	1.2
136.07651	2.4
146.06108	3.4
147.03290	0.5
150.09203	0.9
152.07161	3.3
158.06139	1.3
160.04062	1.7
160.06413	1.3
160.07658	0.9
161.02426	1.8
162.05551	0.9
173.04918	0.6
174.05643	2.7
179.03494	0.9
180.06671	4.2
186.05611	1.8
188.07175	7.6
190.05144	1.0
194.08171	3.0
197.07243	0.6
197.10820	0.6
209.10846	0.6
211.08772	2.1
213.10323	9.1
221.10774	0.7
223.08786	1.8
223.12251	0.8
224.09470	1.1
225.10336	6.6
226.11044	2.4
227.11897	4.3
228.12250	0.5
234.08032	0.6
235.08812	2.2
236.09384	1.0
237.10355	5.7
238.10977	0.8
239.08304	1.3
239.11864	7.2
240.12254	0.6
241.13515	6.4
242.13751	0.9
246.08058	0.5
248.09499	1.0
249.06682	1.1
249.10327	3.6
250.07457	8.0
250.11162	1.0
251.08255	6.0
251.11868	3.3
252.08998	2.0
252.12730	0.6
253.09790	4.4
253.12372	0.6
254.10205	0.8
261.10342	0.6
262.07605	1.3
263.08267	3.6
263.11884	1.3
263.20187	0.5
264.08951	1.4
265.06198	1.8
265.09808	12.5
266.10519	3.5
267.11273	3.9
268.11984	0.5
275.12067	0.6
276.09079	1.1
277.09839	9.5
278.06964	14.3
278.10501	4.9
279.07721	12.8
279.11322	5.2
280.08209	1.6
280.11765	0.8
281.12762	0.7
285.12442	15.4
286.12769	0.9
287.14032	1.5
289.09674	0.6
291.07794	5.3
291.11322	1.3
292.08475	4.3
292.11804	1.2
293.09341	54.7
293.12814	4.0
294.09949	14.8
295.10818	13.1
296.11307	0.9
304.08725	0.6
305.09314	6.5
306.10065	9.6
307.10849	11.1
308.11240	1.9
309.12436	2.4
310.09543	0.7
311.05658	0.9
316.14746	0.6
319.07388	1.1
319.10925	1.8
320.07977	1.0
320.11560	1.4
321.08826	1.6
321.12488	1.9
321.15921	0.5
328.14365	0.7
332.17593	0.6
337.08292	27.1
337.11823	1.6
338.08853	6.3
338.12610	0.7
339.09732	1.6
340.10736	1.1
340.14648	1.1
342.12418	1.0
350.09073	1.0
351.09836	1.7
352.10577	0.8
353.11383	0.6
354.12149	0.6
355.13110	1.2
356.14023	2.7
356.17682	0.6
357.14929	1.5
358.15533	3.1
365.11462	3.1
366.11963	0.8
367.13107	1.1
370.11710	1.2
370.15689	2.4
371.16263	1.2
372.17188	1.7
374.18829	0.8
382.15796	0.9
383.12714	1.5
384.13361	2.9
384.17438	1.3
385.14166	1.8
385.18332	1.0
386.14780	0.7
396.13141	1.0
396.17654	0.7
397.14249	1.4
398.14893	5.1
399.15787	2.3
400.16656	7.0
401.17236	1.3
412.12695	1.9
412.17465	3.6
413.17633	4.1
414.18246	3.0
417.16788	0.7
418.17975	0.7
423.16168	0.7
424.16666	1.6
426.14523	7.2
427.14932	1.0
428.20139	0.6
440.16245	4.1
441.16858	8.2
442.17639	7.7
443.18103	1.2
444.15274	2.5
445.16284	1.1
451.25613	0.7
451.32687	0.5
456.19354	7.0
457.19846	1.2
458.17407	2.6
460.18839	1.6
468.15436	2.8
472.14706	3.4
473.19202	1.4
474.20132	1.2
485.15912	2.7
486.16653	6.6
487.16888	1.0
500.18262	5.4
501.18872	6.7
502.19821	4.9
504.17700	0.6
516.21381	14.1
516.29077	0.7
517.21954	2.7
518.19183	1.6
532.21112	3.4
545.17944	8.4
546.18793	18.9
547.17474	0.9
547.23389	3.2
548.23529	1.1
560.20361	88.2
561.20679	17.9
565.24591	2.5
577.20697	7.4
578.21271	5.2
579.25989	1.5
584.11584	0.6
591.22327	2.5
592.22998	100.0
593.23285	21.9
597.27167	0.6
607.25574	15.2
608.25854	4.4
623.24860	2.8
624.25342	0.9
639.28192	15.7
640.28748	4.1
651.14581	0.8
651.24695	8.9
652.25098	2.1
683.27191	59.1
684.27496	15.8
684.39380	0.8
715.29791	10.5
716.30945	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	715.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46529	0.5
59.01382	41.3
61.98840	2.5
66.21513	0.4
69.53871	3.8
78.22552	0.5
80.05058	4.8
94.06618	1.1
101.84558	0.5
104.05056	2.1
106.06628	8.8
107.03753	2.0
107.06879	0.6
108.04564	2.3
118.06599	0.8
119.71632	0.5
120.04558	2.2
120.08174	1.5
121.05312	0.7
122.06121	22.1
123.06446	1.2
124.73935	0.5
130.06654	1.2
132.04524	1.9
134.06126	39.6
135.06459	1.7
136.07639	1.4
146.06097	2.6
148.04099	2.4
148.07663	1.8
150.09175	0.6
152.07161	4.1
158.06076	0.9
160.03993	1.6
160.06487	2.4
161.02444	1.1
161.04796	1.2
162.05547	0.7
174.05603	3.9
179.03488	0.8
180.06656	3.6
182.14911	0.5
186.05624	1.9
188.07161	8.2
190.05051	1.7
194.08183	2.2
197.10962	0.6
198.12779	0.9
201.53064	0.5
210.07956	0.8
211.08748	2.3
213.10349	12.3
221.10803	0.9
221.27219	0.5
223.08737	1.5
223.12444	0.8
225.10306	5.9
226.11050	2.2
227.11862	5.3
235.08766	1.6
236.09431	1.1
237.10313	3.4
238.07394	1.2
238.11050	0.8
239.08171	1.1
239.11903	11.2
240.12306	0.8
241.13458	9.0
242.13844	0.8
247.08742	0.8
249.06519	0.7
249.10399	2.5
250.07364	3.4
250.10939	1.1
251.08150	3.4
251.11884	5.6
252.08871	1.9
252.12260	0.8
253.09865	4.3
253.13474	0.9
254.10500	0.5
261.10123	0.7
262.07367	1.3
263.08295	2.1
263.11884	0.6
264.08975	1.8
265.06824	0.9
265.09830	7.2
266.10394	1.9
267.11398	4.7
269.04468	0.7
270.80450	0.5
275.08167	0.6
276.08823	1.0
277.06528	0.8
277.09796	9.3
277.13138	0.8
278.06952	5.6
278.10522	4.9
279.07709	7.4
279.11301	4.8
280.08109	1.0
280.11960	0.8
281.09268	0.7
281.12637	0.5
285.12457	21.8
286.12741	1.8
287.13968	2.3
290.10526	0.8
291.07733	3.0
291.11237	1.3
292.08493	3.1
292.11633	0.7
293.09293	21.1
293.12878	7.1
294.10080	7.5
294.13214	0.8
295.10852	12.5
296.11151	1.3
302.76511	0.5
305.09302	6.7
306.10120	5.0
307.10904	12.5
308.11295	1.8
309.12415	2.5
314.12921	0.7
316.14661	0.6
319.10825	1.1
320.11575	0.9
321.08792	2.1
321.12381	1.7
323.10043	0.6
332.17780	1.2
337.08365	9.7
337.12012	2.2
338.08997	2.7
339.09686	1.9
340.10745	0.9
340.14609	1.6
342.12576	1.6
344.13803	0.7
351.09872	2.2
353.15372	0.8
354.12314	1.0
355.12961	3.3
356.13785	1.8
356.17651	1.2
357.14963	1.8
358.15640	5.0
359.16278	0.7
365.11401	4.2
367.12915	1.5
368.13666	1.2
369.14670	1.2
370.11835	1.4
370.15735	1.9
372.17026	2.0
374.18790	1.0
381.14737	0.8
382.15720	1.0
384.13177	3.1
384.17700	1.1
385.13947	2.4
396.13342	1.3
397.14041	1.8
398.14795	3.0
399.15475	2.5
400.16635	10.1
401.17151	2.3
410.15195	0.8
412.12073	0.7
412.16989	4.7
413.17352	2.0
414.18314	3.3
424.16751	1.2
426.14178	3.7
427.14697	1.0
432.19235	0.7
440.15863	2.5
441.16803	3.9
442.17624	8.8
443.17981	1.5
444.15421	1.2
445.16180	0.8
456.19235	4.8
457.20264	0.8
458.17245	2.1
460.18713	2.0
468.15802	4.0
469.16125	0.7
472.14734	0.6
473.19376	0.6
474.20114	1.8
479.24606	0.6
485.16205	1.2
486.16705	7.7
492.20724	0.7
500.18234	1.7
501.19101	1.9
502.19699	4.1
503.20264	1.1
505.22656	0.8
516.21417	10.6
517.21979	2.8
518.19269	2.4
520.20935	0.8
532.20966	2.1
535.23578	0.6
539.26837	0.8
545.17914	3.0
546.18793	18.7
547.24249	8.4
548.23700	2.3
560.20349	28.6
561.20825	6.0
565.24530	3.6
566.24829	0.8
577.20630	1.0
578.21381	4.9
579.25787	2.2
580.25977	1.0
591.22705	5.0
592.22998	19.4
593.23279	3.3
595.25604	1.0
597.27209	0.8
607.25598	28.7
608.26050	7.2
623.25049	6.7
624.25165	1.1
639.28241	28.7
640.28497	7.5
651.24597	12.4
652.24988	3.1
655.27728	0.6
683.27185	100.0
684.27527	29.2
684.39386	1.3
715.29822	15.0
716.30328	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	715.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	73.2
60.01698	1.5
61.98826	2.2
72.99322	1.3
80.05058	7.9
90.52281	1.0
94.06609	2.6
98.19848	3.7
104.05058	3.4
106.06627	16.1
107.03760	4.4
108.04537	3.4
108.08240	1.1
120.04525	1.8
120.08162	2.3
121.05354	1.9
122.06125	41.6
123.06470	1.5
130.06609	2.6
132.04552	2.5
134.06123	79.5
135.04520	1.2
135.06470	3.7
136.07660	3.9
145.05290	1.0
146.06123	4.3
152.07181	7.1
158.06046	1.5
160.04031	4.3
160.06389	3.1
160.07655	1.5
161.02429	3.4
161.04800	1.5
173.04887	1.2
174.05585	7.2
179.03442	2.0
180.06671	6.9
186.05598	2.8
188.07159	9.3
190.05070	2.3
194.08223	4.2
198.12791	1.4
200.07149	1.8
202.58644	1.3
210.07974	1.3
211.08745	4.6
213.10321	15.9
214.10594	1.6
214.31831	1.1
223.08788	3.1
223.12451	1.4
224.09616	2.4
225.10333	14.7
226.11000	4.7
227.11876	9.0
233.07353	1.1
235.08777	3.0
236.09613	1.5
237.10266	6.9
238.07501	1.4
238.10945	3.7
239.08331	1.8
239.11880	25.1
240.12192	1.9
241.13451	12.2
248.09502	2.3
249.10356	6.5
250.07538	5.1
251.08203	6.4
251.11870	10.4
252.08946	2.2
253.09798	10.8
253.12396	1.2
253.13400	1.4
254.10390	2.5
261.10196	2.2
262.07358	1.5
263.08130	6.3
263.11942	1.8
264.08994	4.1
265.06531	1.7
265.09769	14.1
266.10464	4.0
267.11310	9.5
275.08231	1.5
277.05676	1.0
277.06799	1.6
277.09839	17.7
278.06934	9.6
278.10486	9.4
279.07721	12.7
279.11328	11.0
280.08313	1.9
280.11719	1.6
281.12936	2.3
285.12442	34.8
286.12759	3.1
287.14029	2.3
289.09680	1.2
291.07803	7.2
291.11417	3.4
292.08499	3.7
292.11746	1.1
293.09302	40.5
293.12885	9.0
294.10117	13.4
295.10855	28.2
296.11270	3.3
303.11630	1.2
305.09256	12.0
306.10101	9.2
307.10870	18.9
308.11145	2.0
309.12466	4.9
311.06296	1.5
311.10040	1.2
314.12796	1.8
316.14566	1.3
319.10739	1.5
320.11469	1.5
321.08887	1.9
321.12451	3.0
323.10156	1.5
327.13617	1.6
328.10941	2.5
328.14584	1.6
329.11475	1.3
330.16241	1.6
337.08353	18.7
337.11984	3.7
338.09021	6.1
339.09784	2.2
340.10608	1.4
340.14471	2.3
342.12418	3.4
343.12976	2.9
344.13995	3.1
347.18076	1.3
350.26740	1.1
351.09720	2.0
355.12946	7.7
356.13876	4.6
356.17734	1.6
357.14749	3.2
358.15552	14.2
359.15918	3.1
365.11462	5.2
366.12225	1.6
367.13312	2.5
368.13919	2.3
369.14661	2.4
370.11615	2.5
370.15598	4.1
371.16428	1.8
372.17078	3.7
373.18048	1.6
382.15799	1.8
383.12445	1.3
384.13370	6.5
384.17624	2.1
385.14212	3.7
386.14630	5.3
396.13177	1.9
397.13901	4.8
398.14978	8.5
399.15625	6.4
400.16644	22.2
401.17099	5.5
410.14969	1.3
411.15771	1.3
412.12067	1.8
412.17230	5.4
413.17264	4.6
414.18298	7.1
418.17706	1.6
424.16913	1.5
426.14246	7.5
427.15088	1.9
440.16089	3.3
441.16815	7.2
442.17679	14.0
443.18079	2.4
444.15372	2.7
445.16104	6.2
456.19180	8.5
458.17120	4.5
459.17673	2.8
460.18884	6.0
468.15741	3.5
469.16180	1.2
472.15027	2.7
474.20248	9.5
475.20874	1.9
485.15884	2.4
486.16681	10.3
487.16843	1.7
491.21490	1.5
492.21313	1.3
500.18219	3.9
501.19461	6.3
502.19827	8.4
503.19528	1.3
503.24835	2.1
504.17123	1.7
505.22571	2.3
506.22772	1.5
516.21417	13.7
517.21332	2.4
518.19373	3.3
520.20874	10.2
521.21252	2.0
532.20807	7.0
533.21509	2.3
539.26813	3.3
545.17926	6.7
546.10864	2.1
546.18756	23.6
547.24121	16.2
548.23883	4.8
560.20343	56.8
561.20740	9.8
563.26459	2.9
565.24524	10.2
566.24646	3.4
577.20770	6.0
578.21320	18.6
579.25702	4.0
591.22504	14.2
592.22992	81.3
593.23444	16.0
597.27344	1.5
607.25616	41.2
608.25720	8.9
610.24243	2.0
623.25177	10.9
624.25464	3.7
639.28217	23.3
640.28680	6.5
651.24634	36.7
652.25104	9.6
655.27637	2.6
683.27209	94.1
684.27582	23.1
715.29846	100.0
716.30170	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	715.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54656	0.3
59.01282	37.6
59.01614	8.6
59.01787	1.8
60.01658	0.5
69.89794	0.9
69.90205	1.2
80.04947	3.9
92.04962	0.6
94.06532	0.8
104.04929	1.8
106.06482	9.7
106.07263	0.8
107.03623	1.9
107.06866	0.7
108.04402	1.9
108.08059	0.5
108.99781	0.4
116.05013	0.6
118.06525	0.9
120.04410	1.5
120.08037	1.2
121.05179	1.7
122.05961	22.4
122.06906	1.5
123.06364	0.8
130.06470	1.5
132.04390	1.7
132.05276	0.4
132.08081	0.5
133.02794	1.3
134.06123	40.9
134.07053	2.4
134.07553	1.6
135.06271	1.7
136.07500	2.7
145.05293	0.4
146.06110	2.9
148.04057	2.0
150.09026	0.5
152.07187	3.6
158.02304	0.9
158.05943	0.9
160.04045	2.3
160.06456	2.5
160.07536	0.6
161.02454	4.4
161.04558	1.2
162.05450	0.6
164.07031	0.5
166.29170	0.4
172.03871	0.4
172.07504	0.5
173.04604	0.5
174.05614	3.6
180.06631	3.1
183.05463	0.4
186.05400	1.7
187.06178	0.5
188.07167	7.4
190.04887	1.3
194.08206	2.2
198.12729	0.9
199.08656	0.4
209.10568	0.5
211.08733	2.3
212.08998	0.5
213.10329	12.4
214.10468	0.7
214.12300	0.7
222.07625	0.5
223.08615	2.0
223.12158	0.7
224.09297	1.1
225.10347	5.9
226.11060	3.3
227.11902	5.5
228.12048	0.6
233.07100	0.5
234.07889	0.5
235.08469	1.7
236.09325	1.0
237.06483	0.4
237.10379	3.6
238.10751	0.8
239.08002	0.6
239.11885	12.1
240.12016	1.1
241.13474	9.9
242.13673	0.8
245.12875	0.4
247.08672	0.9
248.09410	0.8
249.06461	1.2
249.10327	3.4
250.07478	4.4
250.09993	0.7
250.10857	0.7
251.08301	3.6
251.11845	5.0
252.08783	1.5
252.12476	0.5
253.09851	4.7
253.13106	1.1
254.10054	0.6
261.10330	0.8
262.07300	0.9
263.08002	4.0
263.11560	1.1
264.08932	1.9
264.12057	0.4
265.06015	1.3
265.09561	8.7
266.10492	2.1
267.11368	4.6
275.08249	0.8
275.11517	0.5
276.08813	1.4
277.06409	0.6
277.09796	9.1
278.06732	7.1
278.10266	4.7
279.07474	7.2
279.11078	5.1
280.08087	1.2
280.11487	0.7
281.12576	0.5
285.12442	25.8
286.12708	2.4
287.14014	2.4
289.09543	1.0
290.06946	0.6
291.07526	3.4
291.11169	1.7
292.08264	3.5
292.11646	0.9
293.09088	26.1
293.12720	7.0
294.09976	9.1
294.13095	0.7
295.10861	12.8
296.11035	1.5
304.08249	0.8
305.06384	0.5
305.09326	7.2
306.07108	0.5
306.10065	5.7
307.10843	13.3
308.11078	1.3
309.12573	2.1
310.13153	0.5
313.06992	0.9
319.07120	0.7
319.10611	1.0
320.11401	0.8
321.08569	1.9
321.12320	2.2
323.10397	0.5
324.10883	0.4
328.10648	0.8
328.14282	0.8
332.17416	0.4
337.08307	13.1
337.11871	1.6
338.08978	3.5
338.12622	0.9
339.09589	1.4
340.10480	0.6
340.14243	1.5
342.12265	1.3
343.12888	1.2
344.17621	1.0
350.08917	0.5
351.09567	1.7
352.10147	0.6
353.11209	0.9
354.12061	0.8
355.12943	3.4
356.13718	2.1
356.17566	0.8
357.14664	1.7
358.15598	5.7
359.15665	1.1
365.11392	4.4
366.12152	0.9
367.12778	1.4
368.13828	1.0
368.17703	0.5
369.10471	0.6
369.14835	0.8
370.11581	1.3
370.15619	2.4
371.16312	0.6
372.17004	1.7
374.18182	0.8
381.14120	0.7
382.11237	0.5
382.15326	1.3
383.12518	0.9
384.13144	3.6
384.16998	0.7
385.13882	1.9
386.14435	0.8
386.18842	0.9
396.13150	0.8
396.17554	0.6
397.13815	1.8
398.14822	4.1
398.19119	0.6
399.15524	2.6
400.16660	10.9
401.17007	2.5
410.14926	0.6
412.11829	0.9
412.17032	4.9
413.17523	3.2
414.18378	2.8
418.17438	1.2
424.16617	0.9
426.14374	3.7
427.14825	1.4
432.19241	0.6
440.16061	3.5
441.16931	4.6
442.17651	9.1
443.17725	1.1
444.15363	1.9
445.16052	1.3
456.19531	4.9
457.19952	0.8
458.17157	1.9
459.17581	1.1
460.18643	1.8
468.15521	3.5
469.16055	0.9
472.14401	0.8
474.20468	2.3
479.24463	0.6
485.15814	1.8
486.16742	6.8
487.16919	1.8
489.19415	0.6
491.20615	0.9
500.18228	2.1
501.18900	2.2
502.19766	4.7
503.25037	0.6
504.17310	1.1
505.22125	1.3
516.21387	13.8
517.22217	2.6
518.19275	1.7
520.21069	0.9
531.20526	0.5
532.20471	1.6
545.17975	4.7
546.18829	19.8
547.24622	7.5
548.23993	1.6
560.20355	38.2
561.20587	7.0
563.26318	0.6
565.24365	4.3
566.24615	1.1
577.20416	1.6
578.21411	3.2
579.26581	3.3
591.22510	6.0
592.23004	39.4
593.23212	7.5
597.27173	0.6
607.25623	30.4
608.26062	5.9
623.25043	5.3
624.25336	1.5
639.28241	34.0
640.28503	7.2
651.24628	18.3
651.35901	0.6
652.24878	4.2
683.27191	100.0
684.27466	23.4
715.29840	18.9
716.30090	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	715.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	71.5
61.98836	18.6
71.01379	5.4
71.65920	2.8
72.99313	3.8
82.37018	1.5
85.02932	3.0
89.02448	3.2
92.12197	1.5
92.32251	1.4
94.06649	2.1
95.05027	3.2
96.96020	2.1
101.02451	3.5
106.06622	8.5
107.03748	2.2
108.04525	4.7
109.02963	4.7
113.02451	4.6
117.03484	2.2
119.05023	5.0
120.04531	2.5
120.08120	2.4
122.06133	33.8
123.04485	2.7
133.02965	8.0
134.06133	60.9
134.07170	3.0
135.04526	13.4
136.04953	1.6
137.02480	1.8
145.02980	4.8
149.02496	2.3
150.71916	1.7
151.04008	1.9
151.07642	6.4
152.07150	5.7
160.06396	7.5
161.02457	34.2
161.04485	1.8
162.02744	2.9
162.84293	2.1
163.03987	3.7
174.03174	2.5
174.05559	6.3
179.03488	9.3
203.05789	3.0
213.10387	22.0
214.10544	2.9
214.12383	2.1
215.11827	3.3
223.12410	1.8
225.10281	2.6
226.11058	3.3
236.09384	3.0
237.10219	5.4
239.11894	12.1
241.13426	15.5
249.10306	6.4
250.11063	2.0
251.08183	3.1
251.11969	8.8
261.10202	3.9
262.07547	1.9
262.11115	2.8
263.08255	4.6
263.11871	5.3
264.08908	2.2
265.09857	4.8
267.06552	4.5
275.08527	2.0
275.11948	3.0
276.08734	1.7
277.09824	6.2
277.13315	2.5
278.03333	2.0
278.10678	11.7
279.08377	2.2
279.11261	11.1
283.10855	7.0
285.12457	70.5
286.12747	5.1
289.09836	3.3
290.10593	4.8
291.11374	6.9
293.09442	2.9
293.12912	4.3
295.10840	3.5
304.12103	7.1
305.12817	3.4
307.10959	3.0
308.11560	2.2
309.12427	4.7
310.13263	14.4
311.05719	10.4
311.13733	3.9
315.13358	2.9
316.13898	4.2
325.11847	3.9
326.12875	1.9
328.14557	2.1
332.03818	1.8
335.14151	2.4
336.14694	9.2
343.13068	3.1
344.17792	2.6
354.12152	5.4
354.16199	3.1
355.13086	2.5
356.14029	7.9
368.17984	3.6
370.15546	13.7
371.16507	2.5
372.17130	5.1
382.15775	4.1
384.13321	2.3
396.13330	4.0
398.14236	8.5
398.19238	4.0
400.16602	4.1
403.15280	2.0
410.15085	2.8
412.16623	13.1
413.17212	6.3
425.17496	9.6
426.18170	4.4
442.17508	3.6
444.19104	2.6
453.11935	3.3
456.19241	5.7
457.19943	5.5
484.18774	5.8
485.19519	3.4
493.22876	9.4
494.22949	2.5
501.19040	5.9
509.11258	2.2
516.21600	8.2
517.22058	5.2
530.18280	1.9
535.23547	54.3
536.23529	8.2
538.21997	4.5
547.23578	3.6
553.24823	2.4
560.19763	9.5
561.21130	100.0
562.21411	17.2
567.25800	3.1
579.22321	49.7
580.22485	9.8
592.23169	6.8
593.23340	2.0
595.25458	5.4
607.25836	3.0
611.25195	23.1
611.33954	3.5
612.25464	4.2
612.78113	2.0
623.25531	8.1
639.25653	11.4
651.24316	5.5
655.40546	2.5
671.26941	3.1
671.40472	2.7
683.27246	86.5
684.27643	17.1
715.30457	7.7
716.30487	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	715.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41405	0.3
62.03232	0.3
70.07283	1.4
72.99311	2.6
77.03969	2.6
89.03983	2.4
93.03481	2.1
95.05031	7.2
100.96848	0.4
105.03459	22.3
106.03780	1.0
108.02126	0.5
109.02956	13.2
110.96855	0.4
114.54039	0.4
117.03455	1.2
117.14205	0.3
121.02954	2.8
123.04525	4.7
132.02180	1.2
133.02957	100.0
134.03300	4.1
135.04514	4.2
138.56288	0.3
145.02953	0.9
149.02480	2.0
149.03476	0.3
150.03166	0.5
151.04008	1.9
155.85014	0.4
159.04489	0.5
161.02448	25.9
162.02777	1.3
177.01926	60.7
178.02275	2.9
179.03485	4.3
193.06505	0.5
195.03001	0.7
197.04535	4.0
197.06133	0.6
209.06078	0.5
211.07619	0.7
221.05984	0.6
222.06807	0.8
223.07666	0.4
237.05293	0.5
239.07153	2.3
249.05551	0.6
250.06349	1.7
253.04459	0.4
266.05753	1.3
267.06625	8.5
268.06906	0.9
270.80591	0.3
311.05603	0.6
313.07132	0.6
359.07751	6.5
680.44080	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	715.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.97211	0.8
59.01381	8.2
61.98825	7.8
71.01382	3.4
72.25696	0.9
72.99310	36.2
73.02930	1.2
81.03453	1.0
85.02966	1.3
93.03448	4.3
95.05036	1.7
96.96003	6.5
97.03006	0.9
98.20671	2.7
101.02412	1.6
105.03481	1.3
107.05032	2.2
108.02165	1.5
109.02946	9.4
113.02423	2.1
117.03424	1.7
119.05042	1.7
121.02954	6.9
123.04523	18.1
124.04811	1.3
132.02168	2.5
133.02960	33.6
134.03671	3.7
134.06064	1.0
135.04529	45.8
136.04834	2.8
137.02451	5.5
145.02946	4.0
147.04530	2.0
149.02443	38.2
149.06065	1.1
150.02998	1.5
150.06856	7.1
151.03999	19.5
152.04323	1.0
153.01845	1.3
159.04492	3.2
160.01610	1.7
161.02441	100.0
162.02766	4.9
162.06911	1.0
163.03951	1.8
163.07602	1.7
164.08412	1.9
165.01904	1.1
175.04012	1.7
177.01945	1.5
177.09103	1.5
178.02711	1.1
179.03496	29.9
179.10779	2.5
180.03874	1.3
191.03577	1.4
197.04553	32.2
198.04887	1.6
203.03491	2.0
227.06992	1.1
232.29762	1.0
239.07185	2.1
241.05118	1.7
255.06619	1.1
267.06506	6.0
268.06964	1.2
269.08157	1.4
283.06052	1.3
285.04190	1.3
293.04678	1.8
295.05954	1.2
305.06665	8.9
311.05563	14.9
312.05991	1.6
313.07132	4.6
326.26617	1.0
329.06644	3.6
331.08197	1.3
337.03278	2.5
339.05017	2.5
345.14853	1.0
347.07703	32.5
348.07980	2.9
355.04474	2.1
357.06088	5.6
359.07678	28.3
360.07980	2.9
373.05603	1.5
387.16299	1.3
473.08456	1.3
481.14438	1.2
491.10260	1.0
493.11084	1.3
493.35391	2.1
509.10880	54.0
510.11160	7.8
511.36685	5.1
517.07361	2.4
553.11115	1.2
553.19293	2.3
553.38062	2.0
655.41333	1.8
715.26477	1.7
715.39136	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	715.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11382	0.5
59.01376	5.1
59.25013	0.4
69.95541	0.4
71.01375	3.4
71.62188	0.5
72.99301	1.0
73.02964	1.5
74.02467	0.8
75.00871	1.2
81.03452	0.8
85.02951	1.0
88.56337	0.5
89.02454	1.2
96.96005	1.2
101.02435	1.7
108.02202	2.5
109.02953	100.0
110.03294	3.6
115.05592	0.7
118.98009	0.6
119.05022	3.8
121.02956	1.5
123.04517	2.6
129.03477	0.9
131.05042	2.5
133.02966	5.6
135.03026	2.9
135.04518	12.4
137.02429	1.0
145.03001	2.7
146.03725	1.6
147.04532	7.3
149.02431	0.5
151.04025	1.7
153.05630	0.8
158.03726	1.6
159.04515	32.9
160.04976	1.7
161.02451	5.0
161.04549	0.8
163.03990	5.8
165.04080	0.9
173.02454	1.1
174.03186	1.1
175.04007	7.1
177.01930	0.6
179.03506	4.5
180.03888	0.6
183.36984	0.6
187.43510	0.6
191.03503	1.8
197.04584	2.8
197.06219	0.7
198.06944	1.1
199.07706	1.1
203.03494	22.5
204.03839	1.2
211.07622	0.7
222.06773	0.6
223.07718	0.6
223.22183	0.6
225.05501	1.1
226.06285	1.0
227.07111	1.2
228.04277	0.5
234.06960	0.6
237.05583	2.4
238.95270	0.5
239.07095	1.4
247.02449	2.9
250.06149	0.7
251.07178	2.5
252.04079	0.5
252.08145	1.0
253.04991	1.4
254.05818	5.6
255.06485	1.9
266.05991	0.9
267.06616	4.5
268.07266	0.8
269.08185	40.6
270.08545	3.4
293.12390	1.3
295.06085	2.3
311.05594	1.1
312.05899	0.8
313.07120	21.9
314.07571	2.0
341.08691	1.2
357.06143	74.9
358.06464	7.9
358.16034	0.8
373.15012	0.8
605.28253	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	715.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54000	0.7
59.01378	3.2
61.98827	0.8
69.52007	5.1
69.90097	0.6
72.99308	3.3
86.81911	0.7
93.03452	0.8
101.02384	0.9
109.02954	7.5
123.04498	2.1
130.04163	0.6
133.02968	3.6
134.03711	2.0
135.04532	28.8
136.04866	0.9
137.02475	0.7
147.04497	2.6
159.04497	1.6
161.02432	9.8
177.01920	0.8
179.03458	5.0
183.04469	1.8
185.06017	1.9
195.04453	1.2
196.05272	1.2
197.04538	2.0
199.04018	5.8
199.83868	0.7
200.04373	0.6
203.03551	1.2
205.05092	0.7
209.06071	1.0
211.04002	10.3
212.04738	8.6
213.05560	7.7
215.03400	1.3
216.04260	2.4
222.03163	0.7
224.04774	4.9
225.05492	2.4
226.02777	1.4
227.03439	3.6
229.01517	0.8
236.04749	1.0
237.05424	3.0
238.06361	1.0
239.03473	8.0
239.07152	1.7
240.01784	0.9
240.04268	29.5
241.05058	68.2
242.02243	7.1
242.05334	4.7
243.02982	35.1
244.03297	2.0
249.05563	1.2
251.03307	0.9
253.05081	3.3
254.05721	2.3
255.03029	3.7
255.06584	3.1
256.03809	3.4
257.04456	1.3
263.03467	0.8
264.04327	1.8
265.05002	6.5
266.05667	1.8
267.03000	12.2
267.06586	10.3
268.03552	1.8
269.04596	1.2
269.08142	1.8
271.02515	3.2
281.04465	0.7
283.06165	2.1
284.03287	11.1
285.04047	100.0
286.04401	8.5
293.04562	11.8
294.05005	1.0
295.02588	1.0
295.05881	1.7
296.03278	7.0
297.04007	5.5
298.04752	0.9
299.05637	1.1
309.04355	1.3
311.05573	15.9
312.05969	1.6
313.07178	1.8
327.05069	2.0
328.02249	2.2
329.06628	1.9
337.03604	4.4
339.05109	1.3
355.04590	24.9
356.05005	2.1
357.06052	4.9
373.05609	7.5
418.06976	0.8
419.07745	10.7
420.08441	5.6
464.07547	19.3
465.08237	55.8
466.08606	6.4
473.08743	2.6
535.08942	2.5
553.09814	14.6
554.10394	2.2
567.08826	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	714.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63607	0.8
58.68372	0.7
61.98833	100.0
65.11728	0.9
67.30853	0.9
69.34563	7.8
123.87343	0.8
142.32793	0.8
150.80873	0.7
406.18524	0.8
565.32269	0.9
575.11292	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	714.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49331	0.2
52.98334	0.2
59.01382	0.5
61.98832	100.0
62.73837	0.2
62.76341	0.2
62.98540	0.4
63.99257	1.0
71.01392	0.3
72.99319	0.2
89.52595	0.2
133.02969	0.5
133.07721	0.2
135.04558	0.4
137.02565	0.2
140.14784	0.2
161.02423	1.1
162.02817	0.7
188.02774	0.2
201.11340	1.0
202.11777	0.2
209.11842	1.9
210.12253	1.0
227.12790	0.2
249.18687	1.1
250.19034	0.8
531.19189	0.2
650.38733	0.3
651.38153	2.4
652.39032	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	713.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14440	0.6
58.18509	0.5
59.01371	0.9
62.75204	0.6
76.45212	0.7
77.63907	0.5
98.20625	2.3
106.34034	0.5
109.02999	0.8
114.45328	0.5
118.60094	0.5
133.02940	0.7
135.04491	1.5
137.02458	0.8
138.15619	0.5
161.02431	1.1
211.96336	0.6
269.08289	0.7
281.23813	0.6
357.06064	0.8
418.40872	0.6
430.27127	0.6
439.12427	0.6
449.72116	0.6
579.85632	0.7
677.49469	2.9
713.47375	100.0
714.47681	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	714.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.4
61.98835	9.1
67.96237	0.8
71.01395	0.9
72.99310	53.4
76.22758	0.7
79.57275	0.8
92.24866	0.7
104.75270	0.8
107.04967	1.0
109.02964	2.9
123.04521	16.7
133.02943	6.5
134.03735	1.6
134.06090	1.1
135.04523	44.6
136.04868	1.4
147.04536	1.2
150.03223	1.0
151.03992	2.2
161.02446	15.9
161.04536	0.8
162.02788	1.1
167.66524	0.8
179.03497	34.6
180.03897	1.8
197.04553	54.3
198.04886	1.9
201.71939	0.9
239.05621	1.3
268.39993	0.7
313.07367	1.6
341.08813	1.5
359.07663	2.3
409.66345	0.9
428.96274	1.0
489.14029	100.0
490.14313	15.3
528.22156	0.8
592.22260	1.3
651.17267	3.6
652.17371	1.1
683.27057	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	713.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.03447	1.0
58.00595	0.5
59.01382	100.0
60.01718	1.3
61.98843	0.8
62.65100	0.5
66.99869	0.4
69.53542	0.9
69.53948	2.9
71.01386	9.1
72.99331	1.3
73.02961	3.5
83.01408	1.3
85.02956	5.0
89.02464	2.0
95.01390	0.8
96.96015	0.5
99.00923	1.1
101.02442	7.8
101.03046	0.4
109.02966	1.9
112.04099	0.7
113.02437	3.4
121.05365	0.6
122.06132	1.6
123.03281	1.1
123.04526	0.5
124.04069	0.7
133.03024	1.3
135.04555	2.7
136.07668	6.4
137.02460	0.6
137.06134	1.1
138.05618	7.4
139.06108	0.6
140.07196	0.5
149.02380	0.7
159.03029	0.9
159.04515	1.1
159.80228	0.5
161.02400	2.3
161.04576	3.7
179.03584	1.4
182.04579	0.7
184.06210	1.9
241.05139	0.7
257.13028	3.7
265.05090	1.0
266.05902	0.6
267.06674	1.5
268.07162	0.6
285.04199	0.9
289.16675	1.4
293.04575	1.2
295.06003	0.7
301.11908	0.6
307.17618	12.8
308.18036	1.1
311.05618	2.0
319.13385	1.1
337.03577	1.1
349.18671	14.0
350.19162	1.7
355.04575	0.7
357.06268	0.5
363.74124	0.4
381.14481	0.6
403.12201	0.5
564.67572	0.6
589.91901	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	713.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.03447	1.0
58.00595	0.5
59.01382	100.0
60.01718	1.3
61.98843	0.8
62.65100	0.5
66.99869	0.4
69.53542	0.9
69.53948	2.9
71.01386	9.1
72.99331	1.3
73.02961	3.5
83.01408	1.3
85.02956	5.0
89.02464	2.0
95.01390	0.8
96.96015	0.5
99.00923	1.1
101.02442	7.8
101.03046	0.4
109.02966	1.9
112.04099	0.7
113.02437	3.4
121.05365	0.6
122.06132	1.6
123.03281	1.1
123.04526	0.5
124.04069	0.7
133.03024	1.3
135.04555	2.7
136.07668	6.4
137.02460	0.6
137.06134	1.1
138.05618	7.4
139.06108	0.6
140.07196	0.5
149.02380	0.7
159.03029	0.9
159.04515	1.1
159.80228	0.5
161.02400	2.3
161.04576	3.7
179.03584	1.4
182.04579	0.7
184.06210	1.9
241.05139	0.7
257.13028	3.7
265.05090	1.0
266.05902	0.6
267.06674	1.5
268.07162	0.6
285.04199	0.9
289.16675	1.4
293.04575	1.2
295.06003	0.7
301.11908	0.6
307.17618	12.8
308.18036	1.1
311.05618	2.0
319.13385	1.1
337.03577	1.1
349.18671	14.0
350.19162	1.7
355.04575	0.7
357.06268	0.5
363.74124	0.4
381.14481	0.6
403.12201	0.5
564.67572	0.6
589.91901	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	713.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02024	1.4
59.01381	54.9
61.98832	100.0
65.25587	1.5
71.01366	3.0
72.99300	2.1
73.98378	1.5
75.00885	9.4
82.45340	1.7
82.58243	1.5
85.02943	2.5
89.02431	1.8
101.02457	1.9
106.06623	5.4
107.03780	2.2
108.04511	1.6
109.02966	3.2
115.55811	1.6
117.03484	1.8
117.69903	1.7
121.02985	1.8
122.06133	14.0
126.90483	6.2
130.06651	1.9
133.02957	5.9
134.06126	39.1
135.04500	5.6
135.06461	2.4
146.05997	1.8
148.07684	2.8
149.90227	1.4
152.07104	1.7
158.06047	3.1
161.02408	8.7
162.06886	1.6
173.00130	1.5
179.03470	3.2
188.01105	1.6
190.05141	2.0
197.04558	1.7
197.10707	2.5
219.09544	1.8
223.08717	2.3
224.09529	1.6
225.10313	6.0
235.08739	2.5
237.10178	3.1
239.11882	21.7
247.08722	2.6
249.10323	2.3
251.08432	1.5
263.08261	11.2
263.11703	3.3
265.10007	2.3
273.10333	2.1
276.09039	3.5
277.09671	4.0
291.07700	2.3
291.11356	6.6
293.09433	3.0
304.08289	2.1
305.09161	4.4
323.13870	5.3
330.15897	9.0
335.02411	1.5
337.11914	2.5
339.13516	3.8
339.55002	2.0
354.16284	7.4
356.13806	3.7
356.17633	1.7
366.38535	1.8
368.13953	4.2
370.15472	2.7
372.17224	3.4
382.15839	2.3
384.17297	2.6
386.18848	3.4
396.13391	2.4
397.14050	3.0
398.15210	9.8
399.15298	1.8
410.14832	3.1
412.16678	16.1
413.17023	2.4
430.17804	3.4
439.15265	2.8
449.23575	3.6
454.17740	3.2
477.22525	3.8
486.20313	26.1
487.20670	3.2
495.42960	1.8
503.20877	12.2
504.21237	4.0
514.19342	2.4
537.25018	7.0
545.21906	10.4
546.22473	93.5
547.22614	11.6
563.23169	7.9
564.24036	1.8
577.24579	17.7
578.25061	3.3
605.24194	25.3
606.23926	3.6
637.26654	51.8
638.27222	9.6
653.40942	2.1
669.29083	6.8
671.39465	1.7
713.41010	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	713.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43471	1.0
59.01379	100.0
64.46647	1.2
71.01379	4.6
71.62276	1.9
72.99310	4.7
73.02959	2.0
73.78745	1.0
81.03481	1.2
83.01353	1.2
85.02948	1.8
89.02463	2.0
101.02465	3.0
109.02949	3.6
113.02428	2.6
119.04988	1.5
121.02956	3.0
123.08135	2.6
133.02997	2.6
133.09152	1.1
135.04524	5.7
141.05568	2.8
145.02968	1.7
146.03703	1.3
159.04602	1.6
161.02455	5.1
161.04543	1.4
163.03961	1.8
163.11247	1.7
167.54593	1.0
172.74200	1.3
179.03502	3.9
185.01956	1.1
189.12857	2.0
191.03467	1.8
195.10254	9.8
203.03448	1.7
203.05513	1.1
207.13893	3.6
211.04179	1.1
221.06308	1.2
225.14934	1.2
239.06853	2.8
239.09238	38.9
240.09612	2.3
241.05023	2.0
243.03026	1.2
251.06949	1.2
267.06543	3.3
269.08261	1.3
275.28848	1.0
285.04028	1.8
293.04575	2.8
295.05884	1.8
309.04211	1.5
309.39655	1.0
311.05746	3.5
312.05811	1.2
313.07098	1.9
327.08740	1.6
355.04623	1.2
357.01450	1.2
357.06165	3.0
369.18866	1.4
371.07834	1.6
387.20090	1.7
429.21198	7.1
521.89539	1.3
551.08618	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	713.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24219	0.1
59.01127	0.2
59.01380	5.7
59.92043	0.1
61.98832	5.6
70.79275	0.4
71.01391	0.4
72.99294	0.2
73.02952	0.3
83.01360	0.1
85.02930	0.2
85.38495	0.1
96.96010	0.3
101.02476	0.2
106.06625	0.3
113.02438	0.3
116.92856	0.1
121.05363	0.2
132.04555	0.4
133.02985	0.4
133.05370	0.1
133.06818	0.1
134.06128	1.8
135.04523	0.4
149.02412	0.1
158.02498	0.3
159.05664	0.4
161.02409	0.8
162.06865	0.3
179.03435	0.3
190.05054	1.0
197.04587	0.1
198.09277	2.5
202.05031	0.1
202.08765	0.5
212.05879	0.7
212.10815	0.3
213.06628	0.5
213.10347	0.3
214.08798	0.4
216.06403	0.2
223.08754	0.6
224.09433	0.1
225.06685	0.4
226.07452	1.6
227.07759	0.2
228.09018	2.9
229.09309	0.2
235.08673	0.1
239.11882	9.7
240.09213	0.2
240.12218	1.0
241.09814	69.1
242.10150	5.0
243.11314	1.3
247.08705	0.1
249.10307	0.2
255.11414	1.1
256.12164	39.9
257.12476	3.1
271.14401	0.2
277.09830	0.4
279.11224	0.2
293.09500	0.2
296.23276	0.1
300.11151	9.4
301.11569	0.8
305.09225	0.5
309.12659	0.2
311.05576	0.3
313.91452	0.1
315.13492	100.0
316.13788	9.6
323.10342	0.3
330.16141	0.3
337.12024	1.6
338.12534	0.2
354.16086	0.3
356.14145	0.2
392.60956	0.1
397.13995	4.8
397.19138	0.3
398.14679	1.2
430.13690	0.2
477.22772	0.3
503.21060	0.4
544.17523	0.3
545.22107	0.2
546.22290	0.3
563.23236	0.2
577.24561	0.4
605.24036	0.9
611.34857	0.2
637.26569	2.1
638.27045	0.5
641.26062	0.2
681.25067	0.3
713.28833	0.2
713.41150	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	713.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89247	0.1
53.05135	0.1
55.06034	0.1
59.01382	5.8
60.85369	0.1
61.40268	0.1
61.98833	4.8
69.39848	1.1
71.01384	0.4
72.99326	0.2
73.02937	0.2
85.02956	0.1
89.02460	0.3
91.56766	0.1
96.96001	0.4
101.02446	0.3
106.06622	0.3
109.02930	0.2
113.02444	0.3
119.59678	0.1
120.04557	0.2
121.05357	0.2
122.06127	0.4
129.47408	0.1
132.04552	0.3
133.02985	0.4
134.06128	2.0
135.04552	0.6
147.36111	0.1
151.07637	0.2
152.07181	0.1
158.02473	0.2
159.05627	0.4
161.02425	1.2
162.06847	0.2
163.07700	0.1
177.09244	0.2
179.03476	0.3
190.05037	0.8
193.08621	0.2
194.08337	0.1
196.07683	0.1
198.09242	2.4
199.09491	0.2
202.05042	0.1
202.08745	0.5
212.05891	0.6
212.10703	0.2
213.06683	0.4
214.08762	0.4
223.08698	0.5
224.09579	0.2
225.06775	0.6
225.10191	0.1
226.07410	1.5
227.08118	0.2
228.09016	3.0
237.10349	0.2
239.11885	10.8
240.09169	0.2
240.12230	0.7
241.09811	69.1
242.10155	5.4
243.11317	1.4
249.10132	0.2
255.11389	1.4
256.12161	37.5
257.12473	3.3
263.08261	0.3
263.11908	0.2
271.14487	0.2
277.09750	0.3
278.10498	0.2
291.11234	0.1
300.11151	9.0
301.11523	1.0
305.09076	0.6
309.12494	0.2
311.05585	0.3
315.13489	100.0
316.13794	9.9
323.10416	0.3
323.13815	0.3
330.16092	0.3
337.11990	1.6
338.12265	0.3
354.16080	0.4
383.12476	0.2
397.14029	5.5
398.14667	0.9
408.98547	0.1
486.20282	0.2
503.20898	0.4
537.24719	0.2
545.21948	0.3
546.22302	0.7
577.24658	0.5
605.24060	1.1
606.24225	0.2
637.26611	2.5
638.26868	0.6
641.26074	0.2
669.29218	0.2
675.23108	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	713.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43341	0.4
59.01382	59.2
60.01711	1.0
61.98831	52.3
65.52764	0.4
71.01396	0.8
72.99302	1.1
79.63020	0.5
80.05090	0.5
85.02953	0.6
89.02469	0.8
94.06615	0.6
98.19898	1.1
101.02454	0.8
106.06626	9.2
107.03741	0.9
108.04581	0.6
122.06116	9.9
130.06589	0.7
132.04558	0.6
133.02953	0.7
134.06119	45.9
135.04517	1.6
135.06448	1.6
152.07158	2.8
158.06111	1.5
161.02457	2.9
179.03468	1.0
186.05594	3.1
194.08220	5.2
197.04549	0.5
197.10927	0.4
209.10808	0.7
213.10202	0.9
221.10890	0.6
222.07991	0.5
222.33084	0.4
223.08839	0.9
225.10275	2.9
235.08723	2.9
236.09497	0.6
237.10300	5.3
239.11871	0.7
241.09891	0.8
247.08733	1.7
248.09590	0.8
249.06696	1.0
249.10313	5.2
250.07439	7.3
251.08257	2.5
261.10211	1.1
262.07385	1.9
263.08206	8.7
264.08817	1.8
265.09808	21.1
266.10211	1.9
275.08286	2.4
276.09027	4.7
277.06369	0.9
277.09793	12.9
278.06955	11.5
278.10278	2.6
279.07327	1.6
282.06448	0.5
288.09030	0.5
289.09769	1.5
290.06955	1.8
290.10190	0.5
291.07745	8.1
291.11343	3.5
292.08322	2.1
293.09317	82.8
294.09653	7.7
304.08527	3.1
305.09305	29.6
306.09921	8.4
307.10779	0.7
308.08011	0.9
315.13565	1.1
317.09210	0.6
319.07181	1.1
319.10803	7.5
320.11066	1.3
325.12027	2.1
326.12845	0.7
337.08276	5.1
337.11850	1.0
338.08994	0.8
340.10696	0.7
352.10779	0.6
354.12363	1.8
354.16266	0.7
355.13428	0.7
357.14841	0.7
367.09341	0.9
368.14066	2.5
369.14542	0.9
370.15555	3.5
372.17239	1.5
380.10019	0.7
382.11371	2.5
382.15714	1.4
383.12363	2.2
384.13031	0.8
384.17334	1.6
394.11908	1.1
395.12524	1.1
396.13300	2.6
397.14142	2.8
398.15131	9.3
399.15637	2.7
410.15454	5.6
411.15723	2.5
412.16763	10.4
413.17084	1.8
422.15112	0.7
424.12903	1.7
425.13574	2.1
430.17712	2.0
438.14609	2.1
439.15176	2.2
440.16125	23.5
441.16589	3.9
454.17578	1.7
455.31717	0.5
456.15613	1.8
457.16315	0.7
458.17145	3.0
466.14191	1.6
470.17163	0.7
471.17999	0.9
472.18787	7.4
473.18857	1.4
484.15103	4.7
485.15393	0.7
486.20197	1.9
487.20578	0.5
489.35266	0.8
490.34991	0.7
498.16592	1.5
499.17392	1.8
500.18277	18.8
501.18570	3.1
514.19861	4.5
515.20483	0.6
516.17474	2.5
517.23151	0.9
517.31506	0.6
526.16138	5.6
527.16577	0.6
529.18854	0.6
530.19061	0.9
531.20190	0.9
532.20917	8.0
533.21136	1.6
543.16266	0.7
544.17218	100.0
545.16547	12.7
546.22632	4.1
547.22992	2.5
548.23663	0.7
551.24811	0.8
558.18787	2.3
559.19543	31.8
560.19788	6.4
576.19891	27.7
577.20398	2.6
577.24231	2.9
578.25385	0.7
590.21619	3.0
591.22247	7.7
592.22461	2.3
605.24091	13.7
606.24377	2.0
609.26917	1.1
613.42426	0.5
621.23218	1.3
637.26642	8.8
638.26843	1.8
649.22900	9.0
650.23218	1.6
669.29254	3.2
670.29211	0.7
681.25641	92.3
682.25928	21.3
682.35956	0.5
713.28339	16.6
714.28522	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	712.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
59.24100	0.1
60.28713	0.1
61.98832	100.0
71.01389	0.2
76.20975	0.1
79.92404	0.1
87.73917	0.1
135.04518	0.1
149.02423	0.1
161.02475	0.2
180.04315	0.1
187.07288	0.1
188.93755	0.1
488.34882	0.9
489.35159	1.0
490.35486	1.0
491.35992	0.1
641.25586	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	713.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.7
61.08784	0.1
61.98839	1.2
69.61497	1.0
71.01383	0.4
72.99318	1.6
89.02427	0.2
93.03437	0.3
98.20585	0.3
105.24624	0.1
108.02175	0.3
109.02930	0.3
119.05077	0.2
121.98876	0.1
123.04516	0.7
133.02951	0.3
134.03743	0.2
135.04526	2.2
137.02415	0.4
145.02931	0.6
150.03250	0.2
151.04028	0.1
156.43239	0.2
157.17647	0.2
161.02434	0.7
163.04022	0.2
179.03494	1.0
197.04553	1.1
235.03990	0.7
248.04684	0.2
253.05070	0.4
254.78656	0.2
263.03464	34.3
264.03809	3.4
265.05118	0.7
281.04718	0.2
291.03009	1.0
292.03461	0.2
299.08218	0.2
309.04065	1.7
310.04355	0.2
311.05371	0.2
318.01620	0.2
335.01950	100.0
336.02280	10.5
359.07721	0.2
471.07208	0.4
489.08173	0.9
490.08807	0.2
499.87680	0.1
503.33905	0.6
504.34128	1.3
505.34698	0.4
515.06036	0.6
650.73669	0.2
652.37531	0.2
668.40472	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	713.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03204	0.3
59.01380	12.8
60.01715	0.4
69.56539	2.3
71.01397	0.8
72.99326	0.3
82.13229	0.3
85.02951	0.4
91.05535	0.7
93.03465	0.9
94.34191	0.3
98.20629	0.6
101.02441	0.4
101.03958	0.9
103.05499	0.4
108.02180	0.8
109.02956	28.2
110.03282	0.9
110.96986	0.3
115.05495	0.4
117.03526	0.3
119.05036	5.4
121.02964	3.0
123.04501	1.9
129.03473	8.9
130.04326	1.8
131.05013	1.1
133.02928	0.7
135.04512	1.4
145.02966	8.2
146.03745	9.6
147.04524	100.0
148.04868	4.8
151.04047	0.4
158.03731	1.4
159.04517	20.2
160.04817	1.3
161.02437	1.4
184.73883	0.3
197.04555	0.6
198.06786	0.3
203.03474	1.3
211.04068	0.3
239.07085	0.5
241.08705	0.4
251.07123	1.0
252.07851	0.6
267.06696	2.1
267.09088	0.3
268.07245	0.4
269.08182	64.4
270.08560	6.9
311.05731	1.7
313.07166	25.9
314.07394	2.4
357.06268	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	713.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.0
59.01384	41.9
60.99136	0.9
69.04105	0.8
69.37080	5.2
69.37497	2.2
71.01384	8.9
71.62718	0.7
72.99306	1.6
73.02940	1.9
83.01405	1.2
85.02954	1.6
89.02448	8.5
95.01418	1.1
96.88981	0.7
101.02450	7.4
108.30972	0.7
109.02945	2.5
113.02444	5.1
119.03495	4.1
119.05021	1.4
121.02948	1.8
125.70549	0.7
128.60451	0.8
135.04532	2.1
143.42816	0.8
145.02956	1.1
147.04538	1.6
159.04477	1.1
161.02516	1.1
163.03938	1.5
163.11244	4.1
207.10252	6.5
211.03839	0.9
211.07721	1.1
227.03465	3.2
228.04332	1.0
265.04993	1.0
267.06604	0.9
269.08124	1.9
283.05441	0.8
311.05692	7.7
312.05991	1.4
357.05936	1.5
387.16605	100.0
388.16940	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	712.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
60.01713	0.2
61.98833	100.0
62.98547	0.2
69.61715	0.2
71.01399	0.2
99.92585	0.2
115.92111	0.2
116.92892	0.5
133.03017	0.2
135.04581	0.2
161.02477	0.4
179.03564	0.2
358.25879	0.2
471.34033	0.2
487.34531	0.5
488.34778	1.7
489.34903	1.8
490.35245	2.2
491.35864	0.2
515.30206	0.3
601.93665	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	712.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98832	100.0
62.98535	0.2
69.85965	0.6
71.01387	0.1
72.99335	0.2
80.94092	0.1
98.20568	0.3
99.92605	0.3
104.49964	0.1
115.92070	0.2
116.92857	0.9
122.85182	0.1
133.03046	0.2
135.04570	0.3
141.93672	0.1
154.37408	0.1
161.02438	0.3
165.31195	0.1
178.02777	0.2
179.03516	0.2
267.06473	0.1
305.09338	0.1
487.34326	0.3
488.34381	0.8
489.35019	0.8
490.35355	1.4
509.18478	0.3
551.24823	0.2
637.26831	0.1
681.25848	0.4
684.10944	0.1
732.55670	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	712.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.0
60.01703	0.2
61.98832	100.0
62.98531	0.2
71.01388	0.5
72.99315	0.3
73.02985	0.1
82.29685	0.1
85.02976	0.2
89.02423	0.2
98.19878	0.4
101.02467	0.2
106.06647	0.7
113.02441	0.3
122.06102	1.1
133.02975	0.3
134.06125	3.8
135.04561	0.5
150.06923	0.2
152.07199	0.3
161.02443	1.1
161.04588	0.2
179.03561	0.3
180.11127	0.1
194.08282	0.4
197.04636	0.2
225.10371	0.2
235.08755	0.2
236.42233	0.1
237.10367	0.4
249.10431	0.4
250.07523	0.6
251.08363	0.2
251.12119	0.1
257.89749	0.1
262.07538	0.2
263.08289	0.6
265.09818	1.7
275.08224	0.2
276.09042	0.4
277.09851	1.4
278.06989	1.2
278.10162	0.2
291.07867	0.7
291.11499	0.4
293.09311	7.4
295.14865	0.1
304.08420	0.3
305.09290	2.7
306.10153	0.4
319.07443	0.2
319.10962	0.6
337.08401	0.6
368.14273	0.2
370.15753	0.5
382.12006	0.4
384.17261	0.2
396.13583	0.3
398.15060	0.8
399.16074	0.2
410.15222	0.4
412.16681	1.2
430.17725	0.2
438.14752	0.2
440.16165	2.0
456.15494	0.1
458.16943	0.3
472.18912	0.5
484.15088	0.3
486.20639	0.2
487.34399	0.4
488.34726	1.3
489.35010	1.4
490.35083	1.8
500.18195	1.8
508.33911	0.2
514.19775	0.3
516.18262	0.2
517.22485	0.2
526.16315	0.3
532.21143	0.8
544.17224	8.2
545.21924	0.4
546.22607	0.5
559.19519	3.1
576.19867	2.5
576.28394	0.2
577.24518	0.4
590.21515	0.3
591.22180	0.7
605.24066	1.2
605.40344	0.2
637.26862	0.8
649.22778	0.8
681.25653	9.2
712.40259	0.6
713.28265	1.7
713.39423	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	712.34
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79379	0.2
59.01376	0.8
61.98831	100.0
62.98549	0.3
63.05420	0.2
63.37356	0.2
65.42029	0.2
67.66548	0.2
71.65939	0.3
133.02966	0.3
135.04601	0.3
150.03076	0.2
161.02449	0.6
179.03555	0.3
209.11823	0.3
221.88828	0.2
293.21222	0.3
487.34167	0.3
604.39093	0.2
633.21747	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	712.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75220	0.1
54.38570	0.1
57.31583	0.1
59.01383	1.0
61.98831	100.0
62.98537	0.2
63.48507	0.1
67.62479	0.1
70.70665	0.1
71.01395	0.3
72.99305	0.1
89.02481	0.3
98.20631	0.3
123.51679	0.1
126.90525	0.6
135.04564	0.2
145.62144	0.1
149.06096	0.1
161.02510	0.3
256.52402	0.1
290.66400	0.1
398.15067	0.2
469.29568	0.1
487.30701	1.6
488.31284	0.4
490.31091	0.2
545.22278	0.1
605.24292	0.2
634.33783	0.1
649.23102	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	712.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34031	0.3
57.01699	0.2
58.00596	0.2
59.01383	2.1
61.98831	100.0
62.98547	0.2
71.01378	1.6
71.19425	0.4
71.19747	0.2
72.99308	0.2
84.76952	0.2
85.02961	0.5
85.80795	0.2
87.00894	0.4
89.02425	1.6
101.02445	1.3
113.02478	0.7
119.03561	0.5
125.02439	0.5
133.02957	3.7
134.03583	0.3
135.04521	1.6
143.03525	0.3
143.66777	0.2
160.24191	0.2
161.02448	11.1
162.02808	0.5
171.10312	0.6
179.03523	0.8
179.05659	0.3
201.11374	1.8
209.11806	3.0
225.11313	0.4
235.08296	0.5
249.18552	2.2
250.18991	0.3
253.09210	0.4
253.21730	3.1
254.22061	1.9
277.21832	0.2
397.13599	2.8
398.13849	2.6
399.14508	0.3
415.14725	0.6
416.15125	0.7
435.24820	0.2
605.39429	0.2
649.37439	20.0
650.37823	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	711.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03427	1.9
59.01379	78.7
60.01700	0.8
61.98830	27.2
62.06050	0.5
69.03469	0.8
71.01383	25.1
71.05006	1.6
71.62999	0.9
72.99297	2.7
73.02943	8.9
75.00879	4.1
75.81277	0.6
78.95908	1.2
83.01392	4.9
83.05036	0.9
85.02949	11.9
87.00878	1.5
88.22508	0.7
89.02442	4.3
93.03446	0.8
95.01376	2.2
99.00862	2.9
101.02444	17.1
102.02801	0.7
108.01307	0.6
108.02190	0.7
109.02927	1.6
111.00881	1.4
113.02433	12.3
117.03503	0.8
119.03500	1.8
119.05022	1.1
123.04437	0.9
124.01657	0.8
125.02433	1.0
131.03545	0.7
133.02963	3.8
134.03693	1.3
135.04521	7.3
137.02451	1.6
138.30563	0.7
139.03931	0.6
141.21895	0.6
143.03438	0.8
145.02931	2.6
149.02455	1.2
151.04008	0.7
152.01138	0.7
153.01891	0.6
155.10794	2.5
159.02946	1.5
161.02446	13.0
161.04456	3.4
161.32805	0.6
162.02788	1.9
163.03978	2.3
168.33061	0.6
175.03952	0.9
178.14830	0.7
179.03529	3.2
197.04472	1.8
206.69641	0.6
233.15486	1.0
257.15518	3.3
267.06549	1.5
268.06879	0.8
311.05679	2.1
337.09192	1.5
355.22546	1.5
375.24985	1.0
399.12897	7.0
423.28812	5.2
424.29431	1.1
441.30161	1.8
463.32285	0.9
471.31226	1.4
486.54144	0.7
488.34265	1.1
489.32132	8.4
490.32397	1.2
507.33090	0.9
521.29407	3.3
539.30768	1.0
607.36890	6.5
608.37384	1.5
625.38281	3.5
626.38251	1.0
651.37445	100.0
652.37811	22.9
667.39343	4.5
669.40588	0.8
711.40863	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	711.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
57.03453	1.7
58.00596	0.9
58.08716	0.6
59.01379	25.9
61.98514	1.2
61.98832	24.5
68.81307	0.7
69.03455	1.0
71.01382	19.1
72.99306	2.1
73.02946	6.6
74.52563	0.6
75.00869	2.0
83.01392	5.2
85.02952	9.1
87.00867	0.9
88.98799	1.0
89.02450	4.7
93.33874	0.6
95.01387	1.5
95.05036	3.4
99.00863	2.2
101.02444	21.1
101.91950	0.6
109.02930	1.2
113.02447	7.3
113.06087	5.5
117.03483	1.1
119.03506	1.3
119.05033	2.2
125.02482	0.8
133.02939	0.9
135.04541	3.9
137.02461	1.6
138.01964	0.7
143.03505	1.2
145.02948	1.7
161.02448	3.8
161.04532	2.4
163.03972	1.8
173.84358	0.7
175.03984	1.0
176.21417	0.6
176.39833	0.7
179.03452	2.5
179.05687	0.9
184.28271	0.6
197.04430	0.7
250.78618	0.8
311.05145	0.8
327.19812	3.0
327.23123	1.2
337.22000	0.7
339.19638	1.5
343.22632	6.4
355.22775	3.0
357.05972	1.3
359.22336	2.2
367.22855	1.0
373.23605	1.7
375.25375	23.3
376.25702	3.3
399.25293	1.9
438.03140	0.8
457.29703	3.4
458.29483	0.9
471.31027	1.4
485.32733	1.3
489.32126	34.4
490.32498	6.1
503.26794	1.0
503.33777	15.0
504.34116	2.9
521.29236	0.9
537.30389	0.8
547.20630	0.7
607.37506	1.6
625.37805	1.0
651.37494	100.0
652.26721	1.3
652.37836	23.5
667.39478	1.2
669.40088	0.8
711.39380	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	711.396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06750	0.9
55.01883	2.7
57.03450	2.8
57.96134	0.9
59.01384	37.3
61.98825	14.1
69.92474	5.9
71.01382	23.8
71.05042	1.4
72.99303	3.1
73.02944	7.1
74.02478	1.0
75.00875	4.5
83.01397	5.9
85.02952	11.8
88.98853	1.0
89.02449	5.4
93.03462	1.6
95.01398	1.6
95.05033	5.7
99.00890	3.4
101.02447	24.6
109.02960	2.3
113.02460	9.2
113.06086	5.8
117.03480	1.6
119.03480	1.7
119.05027	14.0
123.04562	1.5
125.02413	1.3
133.02997	2.5
134.03719	1.9
135.04527	8.3
137.02443	3.8
138.25887	0.9
145.02983	6.9
149.02498	1.3
159.02893	1.1
160.01657	1.3
161.02519	6.1
161.04530	5.8
163.04005	7.1
166.02704	1.0
175.03966	1.8
177.09174	1.5
178.02756	1.2
179.03499	4.5
179.05714	1.9
181.05081	1.8
193.04970	2.2
194.25374	0.9
211.06168	1.1
293.19025	4.4
309.22220	2.3
311.20221	1.1
327.23038	2.5
333.22098	1.4
337.09219	1.7
343.22873	1.5
355.22720	5.2
359.22116	4.7
373.23874	2.1
375.25391	35.3
376.25702	5.2
376.34381	1.0
399.25284	4.6
419.24084	1.2
471.31302	6.9
472.31921	1.5
489.31839	70.7
490.32114	14.3
517.82556	1.1
521.26569	2.3
537.30865	1.8
547.17987	4.6
651.37494	100.0
652.37866	21.5
667.38409	3.7
669.40375	1.8
670.41357	1.5
711.23340	3.6
711.38837	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	711.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06765	0.6
52.43892	0.6
53.98881	0.6
55.01856	0.8
57.03434	1.8
59.01385	7.1
61.98836	4.5
69.03461	0.7
71.01099	0.5
71.01385	5.5
71.05006	3.0
71.11547	1.3
72.99300	1.2
73.02940	1.0
83.04121	0.6
83.05020	1.0
85.02962	1.2
89.02464	3.3
89.02920	0.7
97.02956	3.9
97.06567	2.8
99.00880	16.8
100.01139	0.7
101.02438	3.0
109.06580	1.2
113.02430	2.1
116.92896	0.9
123.08162	1.7
125.09731	6.1
131.38277	0.6
133.02957	2.3
135.04497	1.4
135.08185	0.7
142.02649	1.5
161.02452	5.7
161.04576	1.2
163.11284	11.0
170.85815	0.7
171.10237	2.8
181.10774	1.1
181.12337	19.8
182.12621	1.2
197.11769	0.8
199.13399	14.5
200.13803	0.7
201.11209	1.2
207.10257	30.1
208.10562	1.9
225.11311	47.1
226.11592	2.2
243.12372	26.5
244.12692	1.7
249.18591	13.2
250.18861	0.7
253.09378	1.7
317.16113	1.0
323.48553	0.6
400.66077	0.6
461.20203	4.8
479.21298	13.8
480.21396	1.9
711.39581	100.0
712.27454	1.1
712.39960	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	711.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01377	8.9
61.98843	4.3
68.68473	0.7
69.35732	7.2
71.01389	6.9
71.05009	2.6
72.99306	1.8
73.02955	1.9
85.02950	1.1
89.02441	4.4
97.02957	4.9
97.06575	1.3
99.00890	11.0
101.02441	5.7
109.06618	1.7
113.02442	2.7
119.03558	0.9
123.08187	1.3
125.09729	5.8
127.11247	1.2
133.02921	3.9
135.04509	3.8
142.02676	1.4
161.02472	12.2
161.04459	1.1
163.11273	7.2
171.10254	5.0
175.57361	1.0
179.03532	0.9
181.12337	15.4
189.19939	1.0
197.11807	1.5
197.15492	1.2
199.13390	27.4
200.13817	1.8
201.11238	2.0
207.10271	30.4
208.10667	2.1
225.11316	65.4
226.11604	4.3
235.08200	1.0
243.12344	13.9
249.16016	1.5
249.18600	28.7
250.18924	2.5
253.09303	3.2
276.83768	0.9
277.21826	2.4
279.23175	0.9
290.44043	0.9
415.14014	1.1
443.19260	1.4
461.20264	10.9
462.20657	1.7
479.21307	3.0
560.21936	0.8
629.44177	0.9
693.38647	3.8
694.38373	1.2
711.39612	100.0
712.27368	1.3
712.39960	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	711.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51139	1.9
59.01389	25.7
61.98822	8.4
71.01389	15.0
71.62281	3.5
72.99292	2.9
73.02922	2.0
75.08670	2.0
77.51585	2.0
78.62525	1.9
85.02956	2.6
87.00874	4.6
89.02435	18.7
97.02924	2.8
101.02441	14.5
112.25085	2.0
113.02428	6.7
119.03493	5.1
125.02454	5.7
143.03505	3.4
161.04567	3.7
179.05617	4.8
185.18434	2.0
209.11845	6.2
235.08258	6.9
253.09438	2.0
265.17972	2.1
266.18188	1.9
277.21716	55.2
278.22119	4.2
305.08704	4.4
319.83667	2.3
395.28012	2.3
397.13477	100.0
398.13785	11.7
415.14523	26.6
536.73889	1.8
560.93390	1.9
675.36176	5.9
711.33472	42.3
712.33801	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	711.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78034	0.4
56.35689	0.3
59.01382	100.0
60.01717	1.2
69.50989	1.0
69.51409	1.7
71.01393	3.1
72.99281	0.3
73.02950	1.3
73.42906	0.4
83.01388	0.5
85.02955	2.4
87.75970	0.3
94.18305	0.3
99.00905	0.6
101.02449	2.4
109.02972	0.8
113.02476	1.5
121.02991	1.1
122.62611	0.3
135.04553	0.4
155.06380	0.4
159.03040	0.7
161.04604	1.1
162.16512	0.3
224.79008	0.3
225.11369	0.3
267.06708	1.5
269.10278	4.5
269.37192	0.4
311.05692	0.5
311.11307	3.2
351.05640	0.8
535.01239	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	711.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.3
61.98831	18.2
70.89011	1.1
71.01389	2.3
75.00867	5.4
80.05085	0.6
85.02962	0.6
89.02453	0.9
94.06634	1.6
101.02473	1.5
106.06638	1.7
107.03784	1.2
108.04574	1.6
109.02939	0.7
113.02453	0.9
120.04562	0.9
122.06128	14.1
133.02986	0.9
134.06119	7.2
135.04529	2.3
136.07773	0.7
137.05952	0.5
146.06097	0.7
148.07701	0.7
149.06091	0.9
150.05621	17.1
150.06752	0.6
151.05919	0.8
151.07687	0.9
152.07175	4.9
158.06123	1.3
160.07631	0.8
161.02408	2.8
161.04573	0.6
162.06877	1.2
163.07671	0.6
173.04886	0.6
177.09198	0.8
179.03546	1.7
179.07152	0.6
180.06653	1.5
186.05626	2.0
188.07220	1.0
192.06482	0.6
193.80952	0.6
223.08708	0.9
224.80295	0.5
225.10335	1.2
235.08728	1.5
237.10435	2.5
239.12012	1.3
249.10359	1.6
250.07423	4.1
251.07986	0.8
251.11896	0.7
253.09879	1.5
254.01152	0.6
261.10440	1.3
262.07349	0.9
263.08173	4.5
263.11996	0.8
264.08884	0.9
265.09802	7.8
266.10162	1.0
267.11429	0.9
275.08249	1.5
276.09085	3.1
277.06363	0.6
277.09839	2.4
278.06967	5.3
279.07559	1.4
279.11273	0.7
287.08426	0.6
289.09863	2.2
290.07068	0.7
291.02914	0.8
291.07736	4.2
291.11389	3.7
292.03671	1.4
292.08582	2.8
292.11484	0.6
293.09311	22.7
294.09631	2.5
303.07666	1.7
303.11172	0.6
304.08557	4.3
305.09174	4.2
306.10025	1.6
307.10883	0.8
317.09335	2.5
319.10809	5.9
325.11597	0.7
326.12802	0.6
333.08780	2.0
337.08231	1.9
338.09009	0.7
345.08896	2.0
352.10889	1.4
352.14920	0.7
354.12564	2.6
355.13019	0.7
363.09793	1.0
364.11243	0.7
365.71573	0.7
366.12521	1.5
368.14163	1.3
369.14771	0.7
370.15607	2.4
380.10312	1.1
381.11163	0.9
382.11523	5.1
382.15805	1.8
383.12381	2.9
384.13284	1.2
384.17572	0.9
388.16592	1.0
393.11160	0.8
394.11575	3.0
395.12881	1.3
396.09235	0.9
396.13531	3.3
397.14325	2.8
398.15137	6.5
399.15518	1.6
400.16660	0.8
408.09296	1.3
408.13950	1.1
409.14163	2.1
410.10489	4.7
410.15265	3.7
411.12015	1.8
411.16452	0.9
412.16959	2.7
413.13681	0.8
423.12222	1.8
424.12424	1.3
424.17505	0.8
425.13742	1.2
426.14359	9.1
426.19089	0.6
427.15237	1.7
428.16098	5.0
429.16791	1.1
430.17667	1.7
438.14697	7.7
439.15125	1.9
440.16064	1.7
442.17664	0.7
450.14813	0.9
452.16077	1.0
454.18030	2.8
456.15671	27.6
457.16156	5.0
468.15622	6.8
469.16058	1.6
470.17255	6.1
471.17914	0.6
480.15781	3.8
482.13565	0.8
483.14102	1.1
488.18185	1.1
489.19940	0.6
494.13315	1.3
497.15527	1.1
498.16711	54.4
499.17123	11.3
512.19043	4.1
513.18774	1.3
524.14514	3.4
525.15088	1.1
528.18384	0.7
529.18585	0.8
530.10962	0.8
530.19299	16.0
531.19934	4.2
542.15680	98.6
543.15784	18.1
544.20984	4.6
545.21436	2.3
556.17432	0.9
557.18011	26.4
558.18427	6.0
561.21149	2.2
574.18304	20.8
575.18164	5.3
588.20160	1.0
589.20508	6.4
590.21198	1.9
594.24445	0.8
603.22406	18.6
604.22711	4.6
635.25122	15.2
636.25482	4.3
647.21564	7.5
648.21558	1.5
650.39795	0.9
651.39941	1.6
667.27936	3.6
668.27997	1.4
673.96948	0.6
679.24060	100.0
680.24469	26.0
711.26727	19.0
711.38422	1.2
712.27014	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	711.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25703	0.3
58.82345	0.3
59.01382	1.0
61.98826	0.4
71.01362	0.4
73.02930	0.3
85.02991	0.4
93.03468	0.9
98.20643	0.5
101.02435	0.5
109.02959	1.1
113.02464	0.3
117.03456	0.6
119.05026	100.0
120.05363	4.4
121.02917	0.8
121.80234	0.3
133.02982	0.3
135.04533	0.6
137.06111	2.5
145.03003	0.4
147.04510	0.3
149.02443	2.8
159.04437	0.4
163.04007	98.8
164.04402	5.6
179.07114	0.7
180.07193	0.3
185.02185	1.1
193.01468	0.5
197.05852	0.3
200.97748	0.3
208.03746	1.3
209.05922	0.5
211.04001	1.1
211.07661	0.3
223.06085	3.5
224.04669	0.6
227.03511	5.0
227.07004	0.3
228.04251	2.4
235.04076	0.4
237.05533	0.9
239.03413	0.4
239.07002	0.4
240.04323	1.7
241.05023	0.3
249.05664	0.9
253.05048	0.8
254.05722	0.6
255.06493	0.5
261.54932	0.3
265.04965	0.8
266.05737	0.6
267.06534	2.8
268.07040	0.5
281.04404	0.4
283.06012	1.2
293.12500	0.6
309.03967	1.3
311.05600	12.2
312.05896	1.4
325.09250	8.3
326.09689	0.6
330.09277	0.4
355.04605	4.2
356.04855	0.4
357.05969	0.4
678.51080	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	711.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33862	0.3
58.23490	0.3
58.87067	0.3
59.01380	7.2
61.98831	100.0
68.99815	0.4
69.03449	0.5
71.01388	3.0
71.62918	0.5
72.99310	20.4
73.02930	0.8
73.99677	0.6
75.00874	2.7
78.59038	0.3
83.01407	0.4
85.02956	1.7
88.98810	0.5
89.02452	1.2
89.03951	0.4
93.03455	0.7
95.01348	0.4
99.00901	0.4
101.02448	2.5
107.05035	0.8
109.02951	1.2
111.00870	0.5
113.02444	1.5
117.03461	1.5
119.03486	0.5
119.05017	1.3
121.02962	0.5
123.04525	8.0
124.04808	0.5
131.87224	0.3
132.02205	2.1
133.02972	2.7
134.03757	6.1
135.04524	50.2
136.04851	2.4
137.02440	1.2
145.02977	2.2
149.02443	0.7
149.06061	0.8
151.04025	1.4
160.01654	9.5
161.02449	6.9
161.04546	0.5
161.06049	0.6
162.02896	0.5
163.03989	2.7
164.06024	0.3
175.03989	13.0
176.04404	0.6
178.02841	0.4
179.03494	19.6
180.03815	1.1
184.98636	0.3
193.05093	3.5
194.05348	0.5
197.04544	33.4
198.04880	1.9
205.04930	0.4
211.06100	0.4
233.04468	0.5
311.05573	0.6
323.07458	0.9
337.09290	10.8
338.09421	1.0
341.08746	1.5
359.09848	19.3
360.10187	1.5
373.09421	0.8
399.12799	0.8
473.14459	3.4
486.33289	0.6
487.33401	1.2
488.33963	1.4
489.33444	0.8
507.34579	0.5
517.13391	3.0
518.13776	0.7
521.28796	0.4
535.14563	39.8
536.07086	0.6
536.14832	6.4
549.15942	0.6
607.36633	0.9
625.37775	0.7
651.38745	2.1
667.39557	2.0
668.38995	0.4
669.40564	1.4
711.19519	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	710.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.98831	100.0
62.98523	0.2
71.01394	0.3
71.65551	0.2
72.40657	0.1
77.40487	0.1
79.90886	0.2
89.02448	0.3
101.02445	0.3
113.02431	0.1
135.04546	0.4
150.06909	0.2
161.02470	0.3
172.34776	0.2
177.09268	0.2
179.03464	0.2
209.11864	0.9
209.68573	0.2
265.18149	0.2
310.91531	0.2
322.99966	0.1
327.21841	0.2
487.33978	0.2
501.24518	0.2
505.31830	0.2
506.32413	0.2
634.30328	0.2
731.64142	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	711.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33862	0.3
58.23490	0.3
58.87067	0.3
59.01380	7.2
61.98831	100.0
68.99815	0.4
69.03449	0.5
71.01388	3.0
71.62918	0.5
72.99310	20.4
73.02930	0.8
73.99677	0.6
75.00874	2.7
78.59038	0.3
83.01407	0.4
85.02956	1.7
88.98810	0.5
89.02452	1.2
89.03951	0.4
93.03455	0.7
95.01348	0.4
99.00901	0.4
101.02448	2.5
107.05035	0.8
109.02951	1.2
111.00870	0.5
113.02444	1.5
117.03461	1.5
119.03486	0.5
119.05017	1.3
121.02962	0.5
123.04525	8.0
124.04808	0.5
131.87224	0.3
132.02205	2.1
133.02972	2.7
134.03757	6.1
135.04524	50.2
136.04851	2.4
137.02440	1.2
145.02977	2.2
149.02443	0.7
149.06061	0.8
151.04025	1.4
160.01654	9.5
161.02449	6.9
161.04546	0.5
161.06049	0.6
162.02896	0.5
163.03989	2.7
164.06024	0.3
175.03989	13.0
176.04404	0.6
178.02841	0.4
179.03494	19.6
180.03815	1.1
184.98636	0.3
193.05093	3.5
194.05348	0.5
197.04544	33.4
198.04880	1.9
205.04930	0.4
211.06100	0.4
233.04468	0.5
311.05573	0.6
323.07458	0.9
337.09290	10.8
338.09421	1.0
341.08746	1.5
359.09848	19.3
360.10187	1.5
373.09421	0.8
399.12799	0.8
473.14459	3.4
486.33289	0.6
487.33401	1.2
488.33963	1.4
489.33444	0.8
507.34579	0.5
517.13391	3.0
518.13776	0.7
521.28796	0.4
535.14563	39.8
536.07086	0.6
536.14832	6.4
549.15942	0.6
607.36633	0.9
625.37775	0.7
651.38745	2.1
667.39557	2.0
668.38995	0.4
669.40564	1.4
711.19519	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	710.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22927	0.1
55.90702	0.1
59.01383	0.4
61.98832	100.0
62.98532	0.2
75.35125	0.1
89.02444	0.2
98.95556	0.1
117.88416	0.1
121.38277	0.1
134.64519	0.1
135.04543	0.2
158.02803	0.1
161.02446	0.2
175.07706	0.1
181.75272	0.1
232.37952	0.1
247.74394	0.1
249.18634	0.1
250.19080	0.1
346.20700	0.1
399.14117	0.2
400.14142	0.2
405.90237	0.1
438.73196	0.1
732.79626	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	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05629	0.9
57.03442	1.4
59.01373	5.7
61.98830	1.9
67.36674	1.0
70.25080	4.0
71.01397	5.2
78.95906	15.7
83.05027	1.6
85.02929	1.0
86.27554	0.9
87.00869	1.2
89.02449	3.5
90.11224	1.0
96.96945	1.1
97.06609	3.3
101.02443	4.5
113.02457	2.3
119.03506	1.3
125.09695	0.9
127.11287	1.0
151.11276	12.3
152.99583	19.2
155.10820	1.1
161.04539	0.9
169.12343	91.1
170.12700	4.4
171.00604	2.2
194.76067	0.9
195.10272	1.1
201.11322	17.2
209.11832	19.5
213.11307	11.0
227.03191	1.2
230.61337	1.1
235.08150	1.9
241.83287	0.9
253.09224	4.6
253.21677	4.4
277.21735	23.2
278.22073	3.4
279.23230	1.5
381.13062	2.0
431.19220	3.3
449.20325	8.4
455.16974	4.5
473.17795	16.7
474.18491	1.7
691.38391	3.0
709.41119	100.0
710.41608	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	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30606	0.3
55.72764	0.3
56.46624	0.2
58.00595	0.3
59.01379	34.1
60.01716	0.4
61.98838	0.8
66.29494	0.2
69.54677	0.5
69.55066	1.7
71.01382	1.5
72.99298	0.5
73.02921	0.3
75.00899	0.4
85.02964	0.6
88.98807	1.6
89.02443	1.0
95.01379	0.3
99.92673	0.3
101.02448	1.8
108.02177	0.4
109.02956	0.4
113.02443	1.2
115.92047	0.4
116.92859	0.7
119.03517	0.9
119.05037	0.6
122.13085	0.2
133.02943	0.5
135.04506	1.7
152.01193	0.4
153.01923	0.3
158.33928	0.3
161.02432	1.3
161.04547	0.5
163.03995	0.3
166.36388	0.3
179.03548	0.5
184.62865	0.3
383.07541	0.3
423.32971	0.3
443.35358	0.3
487.34283	100.0
488.34637	18.4
501.36337	0.5
529.35120	0.4
649.38483	1.0
666.33533	0.7
673.40936	0.3
709.41083	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	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46416	1.3
52.05387	1.2
55.01873	1.7
59.01096	1.9
59.01382	38.1
60.99317	1.5
61.98835	29.2
66.45358	1.3
71.01373	11.2
71.65749	1.2
72.99294	2.4
73.02943	2.1
75.00854	3.6
82.95387	1.4
85.02950	5.1
87.00890	1.3
88.98809	11.9
89.02444	11.8
92.41103	1.5
96.95998	2.2
97.02966	1.4
101.02448	10.2
107.82466	1.3
113.02457	6.8
116.92870	1.9
119.03467	3.7
125.02384	1.5
134.06013	1.2
135.04529	2.7
161.02443	6.1
161.04550	1.3
162.06853	1.8
163.31943	1.2
166.52036	1.4
179.03447	1.5
179.05632	1.8
180.77228	1.3
239.51105	1.4
279.23074	1.7
293.21219	13.7
397.13324	2.8
457.33417	1.7
469.33167	7.9
487.34372	24.0
488.34296	3.5
579.09149	1.3
649.39520	100.0
650.39777	25.0
665.37775	2.5
667.40717	22.1
668.40765	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	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71846	0.7
57.03445	1.1
59.01389	5.8
61.98829	2.4
70.27219	2.7
71.01389	5.6
78.95901	13.4
83.05015	2.2
85.02949	1.3
87.00880	0.8
89.02442	3.3
95.05027	1.4
95.47688	0.9
96.96991	1.4
96.98059	0.9
97.02979	0.9
97.06590	3.1
98.19921	0.9
101.02441	3.3
113.02429	1.3
125.09718	1.3
127.11309	1.5
128.58891	0.8
151.11299	14.5
152.99594	23.4
161.02354	0.8
161.04480	1.2
163.26939	0.8
165.09193	1.5
169.12338	89.1
170.12689	4.9
171.00613	2.9
171.10246	1.0
182.34500	0.8
195.10229	2.3
201.11327	21.2
202.11678	1.2
209.11836	22.9
210.12169	1.2
213.11360	8.9
227.12862	2.0
235.08200	1.3
253.09276	2.2
253.21664	4.0
277.21710	20.9
278.22089	2.3
324.16971	0.8
381.12921	1.2
431.19125	2.6
449.20184	9.0
450.20554	1.1
455.16928	4.0
457.96423	0.8
473.11691	1.6
473.17914	20.3
474.18253	2.6
478.50180	0.9
491.90259	1.0
639.15173	1.1
691.38196	3.2
709.41083	100.0
710.41431	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	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01379	37.4
60.01707	0.6
60.55676	0.3
61.98831	1.9
71.01385	1.4
72.99319	0.4
74.56166	0.3
81.81342	0.3
81.93404	0.3
82.91639	0.3
85.02949	0.6
88.98808	0.4
89.02452	0.9
94.96391	0.3
101.02439	1.5
103.66926	0.3
109.52407	0.3
113.02441	1.0
119.03497	1.2
119.10986	0.3
119.30882	0.3
133.02895	0.4
135.04497	0.6
145.03011	0.3
149.25752	0.4
161.02438	1.3
161.04591	0.7
191.31207	0.3
242.67163	0.3
311.05640	0.3
329.06812	0.3
359.07724	0.6
441.33685	0.6
469.32935	0.4
475.34274	1.3
487.34268	100.0
488.34610	19.5
529.35522	0.4
649.39435	1.1
705.60870	0.3
709.41809	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	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68117	0.3
59.01381	41.4
60.01694	0.5
61.56849	0.3
61.98834	7.2
71.01375	1.4
75.00871	0.5
85.02916	0.4
89.02446	0.9
95.01361	0.5
98.20664	0.5
101.02460	1.7
105.10812	0.3
113.02460	1.1
119.03442	0.9
119.04983	0.4
130.47272	0.3
135.04504	0.4
137.09822	0.4
147.81691	0.4
161.02437	0.8
161.04572	0.5
162.02779	0.4
175.40448	0.4
179.03328	0.3
205.15939	0.5
222.96045	0.3
339.05124	0.5
359.07819	0.4
391.29974	0.6
405.27756	0.5
407.33157	3.9
408.33365	0.5
423.32785	1.8
425.34253	8.8
426.34546	2.0
439.32233	1.2
441.33826	1.6
457.33118	1.4
469.33218	5.0
470.33514	0.8
474.15427	0.3
485.32471	0.4
486.33047	0.6
487.34274	100.0
488.34604	19.9
504.33896	0.7
505.34183	1.6
506.34985	0.4
513.32349	0.6
529.35345	0.7
649.39221	1.0
671.34827	0.4
709.41766	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53475	0.1
58.00595	0.6
59.01380	37.2
60.01711	0.4
61.98829	0.3
63.73010	0.1
71.01382	0.7
71.05018	0.7
71.65845	0.1
72.99311	0.1
73.05361	0.1
74.70638	0.1
85.02950	0.2
88.83913	0.1
89.02454	0.6
90.29163	0.1
95.01398	0.2
96.96049	0.1
101.02428	0.8
102.00479	0.1
113.02479	0.4
113.75774	0.2
118.98114	0.3
119.03506	0.6
135.04474	0.2
139.60962	0.1
140.42560	0.1
152.07220	0.2
161.02438	0.4
161.04559	0.5
199.41394	0.1
369.28003	0.2
371.11411	0.2
377.28998	0.2
393.31616	0.2
405.31836	0.2
421.31113	0.3
423.32913	0.3
427.32047	1.1
428.32568	0.2
437.30597	0.3
443.35376	0.5
467.31732	1.4
468.31830	0.2
469.33212	8.1
470.33481	1.5
487.34268	100.0
488.34616	19.7
529.35504	0.2
641.25092	0.2
649.39294	1.1
709.41827	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	709.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
58.00573	1.6
59.01092	2.0
59.01383	38.6
61.98829	7.3
63.40861	1.1
71.01381	28.2
72.99311	2.2
73.02943	5.6
83.01389	3.3
83.05061	1.4
85.02946	5.4
87.00890	6.0
89.02443	27.5
95.01405	1.5
97.02940	4.6
98.20714	2.9
99.00880	1.6
101.02449	23.4
113.02444	11.8
113.24572	1.4
119.03510	7.9
125.02464	8.8
131.03435	1.7
133.05081	1.3
143.03499	4.4
148.62680	1.2
161.02319	1.6
161.04498	5.5
179.05589	4.2
221.06668	2.7
230.86232	1.5
235.08240	10.6
251.20152	84.3
252.20506	7.8
253.09251	3.8
262.33664	1.2
287.07642	3.1
305.08780	3.4
323.09549	1.8
397.13501	100.0
398.13937	7.9
415.14557	34.4
416.14941	1.6
487.34436	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	709.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53539	0.7
57.03446	1.0
59.01376	6.2
61.98835	5.4
69.03452	3.8
71.01379	4.2
71.05013	1.6
71.66692	1.0
73.02938	0.9
83.05008	1.1
85.02953	1.8
87.00863	1.3
88.25687	0.7
89.02449	2.9
96.81878	0.7
101.02424	3.4
104.82500	0.8
113.02449	1.2
119.03523	0.9
123.08176	1.4
125.09705	2.2
151.08554	0.8
151.11285	2.0
153.12863	1.4
161.04524	0.7
161.09727	2.9
179.10782	6.9
197.11821	86.4
198.12154	4.4
223.09718	2.3
229.08939	0.9
241.10838	3.9
249.18600	22.3
250.18932	1.6
253.09235	3.0
326.50241	1.0
404.70059	0.9
459.18866	1.6
477.19849	4.6
709.38019	100.0
710.38385	25.6
710.48608	0.6
713.02759	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	709.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
59.01382	21.6
61.98837	2.2
66.91757	0.3
69.61420	2.1
71.01048	0.4
71.01383	5.4
71.05028	4.0
72.99311	1.9
73.02914	1.0
75.00841	0.7
81.62215	0.3
83.04992	0.6
85.02929	1.3
89.01968	0.4
89.02445	4.7
95.01361	0.5
97.06555	0.5
98.19881	0.3
99.00835	0.5
101.02437	4.8
108.02103	0.6
109.02905	0.6
111.08176	0.7
113.02460	2.3
113.28677	0.4
118.98061	1.1
119.03523	2.6
119.04919	0.4
119.08627	0.6
119.21832	0.3
121.03033	0.4
122.91415	0.3
123.04483	0.6
133.02972	1.7
135.04529	3.5
137.09706	0.5
143.03459	0.5
145.02875	0.5
155.10791	2.9
161.02457	7.5
161.04512	1.0
162.02737	1.1
162.91585	0.3
179.03491	2.0
179.05504	1.4
194.41049	0.3
197.04469	1.3
233.15331	0.4
256.61115	0.4
257.15424	0.9
263.90649	0.3
286.19360	0.8
289.19589	0.4
303.20938	0.4
307.20618	0.8
311.05463	1.0
323.23547	0.6
335.23657	0.6
359.07684	2.3
360.07846	0.6
389.28409	0.9
391.22174	0.3
391.26486	3.9
392.26459	0.5
405.27982	0.4
407.29529	23.0
408.29849	3.2
411.28995	0.6
425.30521	3.9
426.30899	0.7
439.28372	2.2
441.29846	1.5
469.29160	4.8
470.29517	1.1
487.30383	100.0
488.30756	17.8
505.31711	0.6
529.31415	1.4
531.85651	0.4
649.36981	1.5
667.39514	0.7
709.38672	2.3
710.33832	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	709.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.9
59.01379	59.3
69.66176	4.7
71.01384	10.8
73.02953	1.5
75.79388	0.8
83.01379	1.1
85.02946	2.6
86.10879	0.7
89.02448	8.8
93.58278	0.7
95.01371	0.8
96.96058	0.8
101.02438	8.1
113.02480	4.2
119.03505	4.3
135.04547	4.0
145.02892	0.9
161.04605	1.1
163.11258	3.5
207.10272	8.3
235.11833	2.6
277.12811	1.1
387.16595	100.0
388.16992	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	709.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
59.01382	100.0
60.01708	3.4
60.73455	0.5
61.01817	1.4
71.01391	7.5
72.99304	0.7
73.02950	3.6
83.01400	1.8
85.02960	4.0
87.00874	0.8
87.70739	0.6
89.02465	2.4
93.48586	0.5
99.00896	1.5
101.02447	9.3
101.03053	0.7
113.02437	3.8
119.03493	0.7
121.42625	0.6
134.85498	0.7
135.04636	0.6
158.89833	0.6
161.04561	3.8
235.11856	15.1
235.14072	1.1
236.12198	2.7
237.12564	1.1
277.12888	8.0
278.13412	1.0
323.12402	1.1
348.92059	0.6
372.60434	0.6
387.16443	7.3
388.17010	0.7
693.33392	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	709.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41704	1.7
55.42034	1.7
58.00578	2.3
59.01088	3.6
59.01382	65.5
59.46574	1.6
61.98826	10.9
69.03466	2.5
69.45110	15.4
71.01378	24.1
72.99297	3.8
73.02946	5.4
78.95916	3.3
81.03425	1.9
83.01391	3.3
84.53848	1.5
85.02963	6.1
87.00881	5.1
89.02450	33.0
89.10274	1.6
95.01394	1.7
97.02954	5.3
98.19914	3.8
101.02460	22.2
109.06591	5.3
113.02440	14.1
119.03513	8.4
120.96848	2.0
121.02978	2.0
125.02464	9.5
131.03494	2.3
133.05035	2.1
142.02643	1.8
143.03439	1.9
147.43336	2.0
161.02455	3.0
161.04578	6.8
163.11296	3.9
169.05144	1.8
179.05614	6.1
207.10260	11.1
209.11850	3.1
221.06599	1.7
225.11313	5.2
235.08209	12.5
247.17094	2.7
251.20172	88.2
252.18251	1.8
252.20563	7.6
253.09251	7.0
263.16693	2.5
265.18082	6.8
270.60034	1.9
279.23251	5.7
287.07742	2.3
291.19788	2.0
293.21222	2.8
301.32626	1.9
305.08707	3.4
397.13504	100.0
398.13812	8.7
415.14600	35.2
416.15131	3.6
461.20789	2.4
485.86856	2.1
649.34326	3.4
709.37329	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	709.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.8
63.82616	0.6
64.93575	0.5
71.01386	17.2
72.01730	0.6
72.99318	0.6
78.93841	0.5
80.05885	0.5
85.02946	0.8
89.02457	2.0
96.96037	0.6
98.46729	0.5
99.98206	0.5
101.02431	1.3
103.99738	0.5
105.42864	0.5
113.02485	1.2
115.00366	8.9
118.35107	0.5
119.03500	0.9
119.05080	0.5
121.02959	100.0
122.03302	4.1
125.76265	0.6
134.14719	0.5
135.04539	1.1
145.03033	0.6
152.08372	0.7
153.09227	2.7
161.02451	2.2
163.10750	0.5
179.03493	0.8
205.12285	1.2
237.04042	10.9
238.04427	0.6
245.78889	0.5
257.50381	0.6
297.45639	0.6
321.15588	5.8
359.07584	0.6
367.17606	4.1
385.18658	0.7
427.19504	3.1
631.56891	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	709.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21099	0.2
59.01381	1.5
61.75717	0.2
65.03969	0.2
69.03448	0.3
71.01391	2.5
71.44315	0.5
73.02963	0.5
79.74209	0.2
85.02951	0.9
89.02457	0.8
93.03458	51.2
94.03799	1.6
95.01421	0.4
97.02950	0.7
100.00423	0.4
101.02441	1.2
108.02119	0.2
109.02941	0.9
111.08183	1.4
113.02454	0.9
118.09705	0.2
119.03476	0.5
125.02456	3.3
131.48978	0.2
133.53822	0.2
137.02449	100.0
138.02785	4.5
155.07152	1.2
161.04547	0.5
179.05643	1.0
254.06667	0.6
272.98962	0.2
281.71967	0.3
299.07718	17.1
300.08072	1.8
306.64804	0.3
320.72842	0.3
357.06104	0.6
470.27902	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	707.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13302	0.5
57.03494	0.4
59.01380	100.0
60.01726	1.6
60.74570	0.5
61.98831	16.0
71.01384	7.9
72.99307	1.1
73.02937	2.4
75.00874	0.7
80.75759	0.4
83.01401	1.7
85.02956	4.4
87.00884	1.0
89.02437	1.3
95.01392	1.4
96.96045	0.9
99.00899	1.0
101.02449	4.3
101.69872	0.5
113.02441	3.5
116.92894	0.6
119.05145	0.5
133.02991	1.5
134.06111	0.6
135.04503	2.6
140.71945	0.4
145.02966	0.6
146.91096	0.5
149.02505	0.6
161.02475	5.4
161.04539	1.2
162.02699	0.7
179.03525	1.9
221.62558	0.5
241.54446	0.5
291.19757	0.6
311.05746	1.1
485.32733	1.5
603.39008	7.2
604.39471	0.8
621.40192	10.2
622.40277	2.6
647.37927	4.2
663.40723	4.2
664.41388	1.1
665.41595	0.6
707.43445	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	707.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03442	1.4
59.01383	100.0
61.98829	7.5
65.77940	0.7
70.43102	2.4
71.01382	18.3
72.99316	9.7
73.02950	5.2
83.01349	1.1
83.05025	1.1
85.02942	7.7
87.00880	2.2
89.02451	7.8
94.06687	1.1
95.01397	1.8
95.08772	0.8
99.00882	1.8
101.02451	11.2
107.03768	1.2
109.02935	3.8
113.02457	17.9
113.03233	1.3
117.03477	1.3
119.03509	5.5
120.08172	1.2
122.06135	5.3
123.04505	2.3
123.06474	1.2
133.02963	8.8
134.03734	2.3
134.06143	1.0
135.04539	33.6
136.04849	2.3
136.88480	0.7
143.03496	2.0
145.02934	1.7
147.00806	1.1
149.02446	3.7
150.03207	2.2
151.03972	1.8
152.07211	5.8
153.07523	2.2
156.63229	0.8
160.01666	1.2
161.02464	27.8
161.04428	4.9
162.02823	1.9
174.03268	0.9
175.04063	1.3
179.02051	1.0
179.03519	15.0
187.58801	0.8
197.04533	9.6
197.11818	2.0
231.94914	0.9
238.10875	0.9
255.06587	0.9
257.13000	1.1
267.06647	4.3
278.10403	0.8
279.11417	1.6
280.11725	1.6
283.06033	1.9
309.20627	5.7
311.05606	10.1
312.06027	1.5
329.06747	6.1
330.06949	1.4
351.21536	1.2
351.72598	0.8
357.26199	1.4
359.07779	9.7
360.08270	1.3
373.29211	1.6
389.28549	2.8
391.26022	1.4
391.30408	1.1
393.31793	1.0
395.05310	1.0
397.13846	1.5
403.30054	1.0
407.29544	13.2
408.29926	2.1
409.31189	4.1
415.14444	1.5
439.32184	16.9
440.32410	3.2
441.33963	6.7
442.34183	1.2
449.19473	1.0
455.31549	2.8
459.26559	1.5
473.32709	82.2
474.33127	16.4
475.33173	1.1
483.31073	1.2
485.32895	7.5
486.33255	1.6
489.18802	1.6
490.19498	0.9
491.09991	2.8
503.32883	2.0
509.10886	5.3
517.31732	1.9
521.21045	3.8
527.33545	1.0
531.28577	1.6
568.26563	2.3
612.25342	10.5
613.25903	1.9
644.28058	7.3
645.28540	0.9
647.41785	20.4
648.41998	5.7
665.42798	7.0
666.42896	1.6
707.43591	3.8
708.33142	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	707.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	55.3
61.98830	1.1
69.45870	0.4
71.01398	2.3
71.44955	0.5
71.45292	0.5
72.99330	0.4
81.43023	0.4
83.01440	0.4
85.02958	1.3
89.02455	1.7
95.01363	0.5
101.02462	3.0
109.06583	0.5
113.02448	3.7
119.03512	2.4
135.04497	0.8
141.31291	0.4
161.02513	0.8
161.04561	1.6
179.03464	0.6
266.43149	0.4
315.84729	0.4
337.93085	0.4
363.26608	0.5
377.28580	0.6
393.28110	0.5
395.29599	3.9
396.29932	0.5
409.31097	3.2
410.31198	0.6
423.32715	1.9
424.32645	0.5
439.28366	1.2
441.33807	10.9
442.34106	1.8
443.31790	1.1
453.29742	0.9
485.32730	100.0
486.33078	19.9
499.34769	0.5
503.32794	1.0
527.33838	1.2
528.34521	0.5
542.25409	0.5
545.34784	0.6
647.38159	2.1
648.38983	0.5
707.40729	0.5
735.82092	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	707.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03452	0.4
59.01381	100.0
60.01720	1.1
61.98833	14.1
66.58453	0.3
68.38127	0.3
71.01388	7.3
71.14616	0.8
72.99315	1.5
73.02944	2.6
73.50821	0.3
83.01388	1.3
83.21004	0.3
85.02946	4.6
87.00887	0.6
89.02438	2.0
95.01379	0.6
96.96061	0.4
99.00905	1.0
99.23412	0.3
101.02433	4.7
102.95201	0.3
109.02959	0.5
113.02435	4.1
119.03509	0.7
126.90494	0.4
133.02969	2.0
134.06148	0.5
135.04520	2.3
143.03528	0.8
149.02548	0.7
153.98904	0.4
159.03073	0.5
161.02435	5.3
161.04613	1.1
162.02753	0.6
164.60106	0.3
175.83823	0.4
179.03545	1.4
179.05574	0.4
250.06940	0.4
267.06720	0.4
277.21417	0.4
279.23386	0.6
311.05737	1.0
359.08081	0.4
373.10269	0.3
408.37799	0.4
455.13867	0.4
463.64917	0.3
485.32907	1.6
487.31137	0.6
573.38647	0.5
603.39166	7.9
604.39392	1.7
605.37769	0.5
621.40057	12.2
622.40192	2.6
647.37469	3.6
648.39063	0.5
663.42267	5.0
664.42108	1.6
707.43951	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	707.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44016	0.2
57.91727	0.2
59.01378	6.5
68.99802	0.3
71.01389	1.6
73.02945	1.8
75.00842	0.4
83.01336	0.3
85.02945	0.5
87.88361	0.2
97.02966	0.3
101.02441	2.7
110.42515	0.3
113.02444	0.8
118.21038	0.2
125.02419	0.4
126.90504	0.3
133.92706	0.3
135.04504	0.3
150.04031	0.3
161.02426	0.6
161.33420	0.2
179.03441	0.4
210.00400	0.3
377.28436	0.3
379.30255	0.3
389.28497	0.5
391.30289	0.5
393.31589	0.5
401.28412	1.0
405.27927	0.3
407.29642	1.6
408.29678	0.4
409.31442	2.1
410.31711	0.3
417.28070	0.4
419.29514	0.7
421.31171	2.9
422.31601	0.5
425.30627	0.9
426.30600	0.3
435.44458	0.3
439.31927	0.5
441.33820	5.5
442.34137	1.3
453.30127	0.9
457.33319	3.1
458.33524	0.5
459.34387	0.3
467.31091	0.4
473.32651	2.5
485.32755	6.0
486.33066	1.1
503.33792	100.0
504.34122	18.0
545.34985	1.7
546.35327	0.5
587.35754	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	707.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.8
60.01712	0.5
69.60433	0.4
69.72155	1.4
69.72566	0.8
71.01376	0.7
71.32816	0.4
72.99315	0.6
93.61410	0.4
98.20609	0.7
99.00873	0.3
101.02445	1.0
113.02419	0.7
119.03513	0.7
133.02965	0.4
142.38492	0.3
144.35809	0.3
161.02470	1.6
161.04500	0.5
179.03511	0.6
197.04445	0.4
279.64923	0.4
309.20679	0.4
359.07501	0.5
485.32727	100.0
486.33078	21.0
527.33704	0.9
647.37970	1.2
648.37878	0.5
707.39673	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	707.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03435	0.6
58.60263	0.3
59.01380	100.0
59.80804	0.3
60.01719	1.1
62.71698	0.3
69.80257	1.2
71.00989	0.4
71.01381	8.9
71.01756	0.5
71.05039	0.3
72.99313	0.3
73.02947	3.5
75.89053	0.2
81.55293	0.3
83.01386	2.2
83.01830	0.4
84.38970	0.3
85.02950	4.8
87.00892	0.5
88.13204	0.3
89.02443	1.3
95.01412	0.5
97.02916	0.3
99.00874	1.6
100.03876	0.2
101.02442	11.0
110.22095	0.3
113.02446	4.1
119.03473	0.3
143.03526	0.7
151.07658	0.8
152.08450	0.9
153.09225	2.3
159.03032	0.9
161.04576	4.7
205.12383	0.8
223.13454	1.0
225.11371	0.6
235.11858	19.2
236.12230	1.5
247.28334	0.3
276.92496	0.3
277.12894	9.1
278.13434	0.6
321.11935	0.4
385.18793	2.5
386.19254	0.4
670.30109	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	707.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70033	0.1
57.03442	0.2
59.01382	6.6
60.01677	0.2
61.98831	0.2
62.77615	0.2
68.99797	0.2
69.03438	0.3
70.20094	0.7
71.01386	2.0
72.99297	0.3
73.02950	1.7
75.00887	0.2
79.22467	0.1
83.01374	0.7
83.05020	0.3
85.02950	0.4
89.02440	0.2
96.96003	0.6
98.20513	0.2
99.00855	0.2
101.02438	2.5
103.13259	0.2
109.02932	0.3
113.02453	1.0
118.23708	0.1
119.08667	0.3
125.02443	0.3
131.03510	0.3
133.02928	0.3
135.04517	0.6
143.03511	0.4
145.02942	0.2
155.03510	0.3
161.02434	0.7
161.04561	0.2
161.54099	0.2
179.03401	0.2
191.14314	0.2
203.05603	0.6
320.19580	0.2
325.19687	0.2
338.35089	0.2
357.26019	0.8
359.27475	0.4
373.25150	0.4
373.29282	0.3
379.30286	0.2
389.28488	2.2
390.28851	0.4
391.26303	0.6
391.30060	0.7
393.31598	0.4
403.26242	0.2
403.30624	0.2
407.29532	5.0
408.29694	0.9
409.30988	1.3
410.31241	0.2
419.29565	0.6
420.29916	0.2
421.31299	0.2
423.32565	0.3
425.30579	0.4
427.32254	0.3
433.31204	0.3
437.30478	0.2
439.32074	0.3
441.33810	0.8
442.34384	0.2
453.29843	0.5
457.33182	2.7
458.33636	0.5
459.34903	0.5
462.20364	0.2
473.32730	0.5
485.32755	1.2
486.33344	0.4
503.33771	100.0
504.34128	21.4
509.35239	0.2
517.35327	0.5
518.35712	0.2
545.34686	1.5
546.35236	0.3
557.34674	0.2
587.35748	0.2
589.33368	0.2
647.36475	0.2
707.39258	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	707.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76945	0.5
57.03440	0.7
58.00602	0.9
59.01380	100.0
60.01706	1.2
61.98848	0.6
64.55963	0.5
69.03470	0.5
70.29248	2.4
71.00990	0.9
71.01385	18.5
72.99312	1.9
73.02949	5.7
83.01386	2.1
85.02951	7.5
87.00886	1.0
89.02454	9.4
95.01401	2.4
96.96027	0.9
97.02932	0.5
97.05559	0.5
98.19844	0.6
99.00846	0.9
99.04519	0.8
101.02442	10.5
101.03063	0.7
109.02953	1.2
113.02451	14.1
114.54720	0.5
119.03504	3.9
123.04515	0.7
125.02449	1.9
126.43282	0.5
133.02982	1.0
135.04501	2.7
137.02498	0.6
138.58168	0.5
143.03522	1.6
147.04665	0.6
151.03996	0.6
160.01703	0.8
161.02419	2.7
161.04501	4.0
162.02881	0.6
163.03983	0.9
164.92578	0.5
175.03998	0.9
179.03525	1.3
179.05649	0.8
187.11330	1.1
205.12282	1.1
224.24712	0.5
273.12576	0.8
351.14471	1.1
355.21381	0.9
411.16806	1.3
429.17862	0.6
499.25458	12.9
500.26086	2.1
517.26563	25.5
518.26874	4.4
531.21069	0.9
535.27576	5.5
536.28162	0.9
559.27582	8.7
560.28076	1.8
577.28546	6.3
578.29193	1.6
591.23096	0.9
613.97278	0.6
618.64172	0.6
619.29718	0.6
676.74121	0.6
688.47107	0.6
689.25372	0.7
707.27557	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	707.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50774	0.4
56.37182	0.4
59.01379	3.6
60.01183	0.4
60.19314	0.4
69.50288	3.4
71.01398	0.7
72.99312	16.7
73.02943	0.7
85.02926	0.4
86.98280	0.4
87.44088	0.4
89.02411	0.5
94.76675	0.4
99.04495	0.5
101.02446	0.9
107.05077	0.7
109.02963	0.6
112.86877	0.5
122.06171	0.6
123.04529	7.9
132.02158	1.2
133.02962	19.5
134.03664	0.7
135.04535	17.6
136.04860	1.0
149.48753	0.5
161.02446	100.0
162.02777	5.5
162.60912	0.4
179.03487	14.4
180.03842	0.8
197.04550	19.8
198.04814	1.2
203.45403	0.4
219.12044	0.5
252.28302	0.5
357.05994	0.5
359.07727	33.2
360.08075	4.3
557.11029	0.5
689.25146	0.6
707.25055	1.1
733.25708	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	707.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70424	2.2
51.77863	2.4
53.88194	2.0
59.01383	40.9
61.98839	24.2
62.03991	2.3
67.74267	2.2
69.43828	15.0
69.44244	3.1
71.01380	12.5
72.99316	18.2
73.02943	4.4
83.01389	3.2
83.05050	2.5
85.02959	6.1
89.02431	3.8
101.02450	10.9
109.02966	8.3
111.67513	2.4
113.02473	4.6
114.42857	2.2
117.03441	2.2
118.98145	4.9
121.59367	2.3
123.04534	6.7
126.90489	2.8
132.02145	2.7
133.02971	19.5
135.04518	25.5
145.02922	4.5
149.02432	8.4
149.09723	2.5
150.03229	5.1
154.07072	2.2
159.04471	2.0
161.02455	100.0
162.02776	5.9
174.03377	2.4
179.03529	20.2
185.11931	3.6
197.04576	20.1
209.11830	4.5
213.41565	2.0
267.06625	6.7
283.06039	6.8
309.20581	3.6
311.05585	19.8
329.06656	7.9
330.07178	2.5
359.07727	45.8
360.08130	4.1
467.31677	2.2
485.32834	24.8
491.09213	4.8
502.32623	5.7
503.33810	12.3
509.10916	34.2
521.10815	3.6
576.38129	2.5
602.35223	2.9
603.35168	2.3
625.09338	2.6
628.74554	2.3
662.37653	42.3
663.37866	30.5
675.32397	4.0
707.40143	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	706.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	38.4
60.99308	5.3
61.98833	80.1
63.28424	1.6
68.08297	2.0
69.03464	2.0
70.78346	3.4
71.01377	12.0
72.99316	12.2
73.02958	3.9
75.00881	2.7
83.01398	2.0
85.02951	5.8
87.00882	1.8
88.98814	29.6
89.02439	6.6
94.06635	3.4
95.01357	1.9
99.00890	2.6
101.02443	11.3
106.06612	2.4
107.03787	7.0
107.05027	3.6
109.02949	6.6
110.14725	1.8
113.02455	8.5
116.97673	1.8
117.03489	2.3
119.05055	2.2
120.08195	21.0
121.02953	3.8
122.06128	74.7
123.04527	5.6
125.06080	1.7
132.04546	2.7
133.02968	19.5
134.03731	4.0
134.06116	7.7
135.04526	76.7
136.07707	2.2
139.02753	2.9
145.03029	4.1
149.02429	6.1
150.03223	5.2
150.05554	3.8
151.04080	2.3
152.07176	79.9
152.08401	4.2
153.05644	2.1
153.07510	3.1
160.01756	2.3
161.02449	48.1
161.04617	3.4
162.02802	3.4
163.04048	3.0
174.03246	2.7
175.04053	2.2
179.03490	33.9
185.88443	1.7
190.05035	2.7
197.04501	13.0
197.11899	3.4
207.10399	2.0
209.11839	14.6
210.12206	5.6
223.08711	4.2
224.09406	2.3
225.10411	2.2
227.12987	2.2
231.80179	1.8
235.08449	2.7
237.10323	10.7
238.11154	2.9
239.11880	8.0
245.12971	6.8
250.07471	2.1
251.08107	2.5
251.11928	3.8
263.08163	4.3
264.09021	9.2
265.09793	8.0
267.06644	5.8
271.10641	2.3
276.08801	2.1
277.09671	3.5
278.10486	4.1
279.11334	31.1
280.11942	4.8
281.13062	2.5
283.06189	3.5
291.11401	6.6
292.12244	2.7
295.10959	4.5
295.14386	1.8
305.09186	2.3
309.20724	6.4
311.05597	17.1
313.07077	2.8
313.12030	2.0
322.09753	2.6
323.10425	10.2
323.22964	2.5
324.11023	3.1
325.11676	2.5
329.06699	10.7
351.21808	7.5
359.07666	19.3
360.16922	2.5
376.20563	2.5
396.27786	2.0
397.13437	2.1
402.18192	6.9
405.46924	2.0
415.14508	3.3
439.32138	4.2
441.33939	3.6
444.19376	11.4
446.17023	2.2
448.18613	5.4
449.19330	2.4
461.19122	2.6
471.18146	3.0
473.32477	10.2
484.31631	2.7
485.33347	3.0
488.18109	15.8
489.19031	10.1
491.09732	8.3
501.32700	3.8
502.32721	4.1
503.33530	5.7
509.10510	8.9
520.20941	45.6
521.21246	7.7
531.28192	4.4
567.26056	21.3
568.26447	4.5
573.30164	2.6
611.25061	100.0
612.25299	21.4
633.40021	2.7
643.27734	79.1
644.28180	19.3
706.35474	3.8
707.33887	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	705.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33905	0.5
55.01866	1.2
57.03437	1.4
58.91583	0.5
59.01380	25.9
61.98837	3.8
64.70480	0.5
71.01381	11.2
72.99290	1.3
73.02956	4.6
75.00870	0.6
78.20037	0.7
83.01378	2.9
85.02943	5.3
86.00082	0.8
87.00864	1.1
89.02445	3.0
94.24442	0.6
95.01367	0.9
96.95993	1.3
99.00859	0.6
101.02441	9.9
113.02461	5.4
119.03466	1.0
133.02936	1.0
135.04524	1.9
137.09596	0.7
143.03487	0.7
149.02417	0.6
150.03197	1.4
161.02475	3.8
161.04521	2.8
162.02812	0.5
165.70554	0.5
171.61302	0.5
179.03448	1.1
197.04446	0.6
219.17520	0.7
237.11166	0.5
237.96954	0.6
267.06677	0.5
293.45041	0.5
407.33621	0.7
439.35727	1.3
450.26306	0.5
467.35324	5.9
468.35248	1.0
483.31168	1.8
485.36246	8.5
486.36584	1.6
501.35831	1.3
645.36285	17.9
646.36877	5.0
663.41266	4.5
664.41327	1.3
705.42139	100.0
706.42474	27.7
706.55023	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	705.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98830	11.3
65.79363	0.8
70.69831	2.8
78.95904	12.1
84.27220	0.9
84.43266	0.9
90.03579	0.9
110.98540	6.0
141.48033	0.9
152.99579	2.0
167.01233	2.1
225.11427	1.0
255.23320	4.5
269.24924	1.0
277.21716	100.0
278.22128	10.3
427.22421	1.3
445.23590	3.7
705.46356	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	705.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.3
57.03460	1.1
58.00592	0.8
59.01379	100.0
60.01723	1.1
61.98832	7.3
69.94129	3.1
71.01380	17.9
71.01756	1.2
72.99304	2.0
73.02946	7.7
83.01389	2.3
85.02957	5.1
87.00904	1.6
89.02447	10.9
95.01392	2.4
96.96000	1.5
99.00894	2.2
101.02443	11.5
112.34888	0.8
113.02444	7.1
119.03503	4.2
122.46461	0.7
133.02974	1.6
135.04562	2.7
161.02440	5.2
179.03488	1.8
200.08076	0.8
222.50935	0.8
343.08203	0.8
439.32355	3.0
457.33115	4.6
483.31235	1.0
601.37488	28.1
602.37958	6.6
619.38409	22.2
620.39044	4.6
645.36780	1.2
655.01801	0.8
661.39563	79.9
662.39954	18.0
662.50586	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	705.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
58.00607	1.2
59.01382	100.0
61.98833	1.0
62.04325	1.1
71.01392	12.3
72.99316	1.4
73.02962	5.1
83.01386	1.9
85.02959	7.1
85.36344	0.9
99.00864	2.1
101.02455	11.7
113.02471	2.9
117.09743	1.2
133.02980	1.9
135.04565	1.8
161.02419	2.7
161.04546	3.0
180.80319	1.0
185.15933	1.1
201.50658	1.0
457.33154	8.3
458.33331	1.3
526.38635	1.1
563.13641	1.2
601.37378	10.2
602.37189	2.1
619.38452	18.4
620.38629	3.9
661.39648	7.4
662.39886	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	705.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01379	14.1
61.98832	8.3
69.03460	0.7
69.41861	4.4
71.01377	5.2
71.05005	0.6
72.99310	3.6
73.02961	2.4
78.95887	0.7
83.01384	0.9
83.05038	3.9
85.02953	1.9
89.02441	1.6
93.03471	0.6
95.01362	0.6
96.96003	1.8
101.02448	6.1
105.52042	0.5
108.60721	0.5
109.02946	2.3
113.02496	2.6
115.32198	0.4
116.92862	1.2
117.03476	1.1
119.03488	0.7
119.05019	0.8
122.06134	0.8
123.04492	1.6
125.02443	1.4
126.90493	0.6
128.24385	0.5
128.75084	0.5
131.03577	0.8
132.02174	0.5
133.02942	3.0
134.03545	0.6
135.04524	9.0
136.04819	1.0
137.02409	1.3
143.03358	0.5
145.02957	3.3
149.02452	0.7
149.06052	1.2
150.05626	0.6
151.04076	0.6
159.04514	0.7
161.02452	13.0
161.04564	1.2
162.02800	2.1
163.04076	1.2
175.03894	0.6
179.03539	3.7
180.03851	0.9
187.03990	0.7
197.04552	2.6
197.11830	1.9
198.04892	0.7
201.11375	1.3
203.05443	0.6
209.11786	1.5
229.01413	1.0
253.09554	1.0
253.22556	0.5
262.06235	0.5
267.06619	0.8
281.09326	0.5
283.06128	0.6
293.09213	0.6
295.06003	0.6
301.11957	0.5
309.08386	0.6
311.05682	1.3
313.06702	0.7
321.08923	0.8
329.06744	0.7
330.07095	0.7
331.07394	0.6
339.05304	2.5
339.08914	0.7
341.24414	0.5
348.24796	0.6
353.24854	1.5
357.06216	0.7
359.07852	1.7
360.08417	0.6
373.27390	0.9
389.28326	0.6
405.27847	0.5
407.29623	0.6
419.29684	0.5
423.28989	0.5
429.29962	0.8
439.32089	0.9
451.28476	1.4
453.29980	0.7
457.24197	1.2
457.33261	1.5
471.30939	1.7
483.31213	15.2
484.31488	2.1
492.10516	0.7
493.10464	1.0
501.32242	100.0
502.32571	18.9
543.33148	3.2
562.17120	0.5
629.22369	1.3
673.21136	0.6
687.32751	1.6
705.34070	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	705.3855
Annotation	Hyalodendroside A
Peak:m/z	Relative Intensity
51.40133	0.4
55.01877	8.6
55.87853	0.4
57.03444	5.4
58.00599	3.7
58.00857	0.5
59.01380	55.1
60.01725	0.8
61.98835	1.1
63.37845	0.4
68.99818	0.7
69.03452	0.9
71.01382	76.2
72.01704	0.9
72.99308	3.1
73.02947	29.0
75.00877	1.6
83.01389	16.9
84.02183	0.6
85.02952	38.4
86.03321	0.7
87.00880	3.2
89.02444	7.5
94.19028	0.4
95.01376	5.7
97.02956	2.1
97.62827	0.4
98.19740	0.6
99.00883	11.6
99.01510	0.8
101.02444	100.0
102.02757	2.4
103.04023	0.6
113.02450	31.3
114.02793	0.5
116.92852	0.5
125.02420	2.3
129.01949	1.8
131.03499	0.8
135.04565	0.5
143.03487	6.0
159.02983	7.5
161.04555	44.6
162.04927	1.8
173.80360	0.5
182.56447	0.4
184.06900	0.4
205.03436	0.8
209.11850	0.8
330.75122	0.4
389.28476	1.0
390.29193	0.5
403.26300	0.8
405.27945	1.0
419.29468	5.7
420.29840	1.2
421.31235	9.1
422.31485	1.7
423.29080	1.6
435.29337	3.2
436.29761	0.6
437.30597	1.6
439.32016	3.5
440.32242	0.5
453.30121	4.2
454.30371	0.9
457.33179	0.6
465.30051	4.1
466.30423	1.1
467.28131	0.7
471.31128	1.3
483.31149	26.9
484.31403	4.5
501.32172	17.9
502.32324	3.1
543.33081	2.4
544.33270	0.7
583.36481	5.6
584.36700	1.4
601.37476	8.1
602.37976	1.5
611.25366	0.8
615.35327	3.1
619.38416	1.0
620.38995	0.5
633.36743	0.7
643.27966	0.8
645.36542	6.5
646.37042	2.3
663.37268	3.4
664.37964	1.0
705.38531	23.4
706.38733	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	704.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46221	1.4
52.30816	1.5
59.01381	22.9
61.98840	13.7
63.75134	1.5
69.47693	3.5
69.48094	10.1
71.01376	6.8
73.02956	2.3
80.05045	5.2
85.02958	3.3
87.00918	1.9
89.02425	1.8
94.06609	3.2
99.00902	1.6
101.02438	2.0
104.05082	2.9
106.06641	2.7
107.03758	2.6
109.76379	1.5
113.02464	2.2
120.08202	2.1
121.05321	1.9
122.06118	29.6
132.04527	2.3
133.02934	1.9
134.06128	8.7
135.04517	4.0
139.02748	3.3
148.04007	3.1
151.20096	1.4
152.07172	38.4
153.07527	1.9
160.04039	1.6
160.06381	4.4
161.02399	6.9
174.05573	4.8
179.03506	3.1
183.68866	1.6
190.05125	2.9
213.10342	24.9
214.10614	1.9
225.27361	1.5
226.11082	2.8
237.10292	1.5
239.11864	14.8
241.13458	10.2
242.13834	1.6
245.12915	5.3
251.11958	2.2
265.09506	1.9
285.12445	54.9
286.12704	6.1
293.13120	9.6
295.10812	4.8
313.11871	3.0
316.14764	1.9
323.10364	8.0
325.11847	2.0
328.11047	4.2
342.12378	2.2
343.13153	2.9
344.14029	2.3
355.13019	5.6
357.14795	1.8
358.15604	17.9
359.15909	3.4
384.13583	4.3
400.16620	12.7
412.16571	3.8
462.99625	1.6
509.21326	1.8
523.23438	6.1
565.24561	57.2
566.24878	11.2
609.23499	100.0
610.23962	15.3
641.26154	40.7
642.26581	10.4
645.38214	2.7
661.34338	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	705.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64520	0.8
55.01867	2.4
55.88104	0.7
57.03433	2.9
58.00608	0.8
59.01379	40.8
60.99310	1.0
61.98829	12.6
69.03456	0.7
71.01383	23.9
71.62776	0.8
72.99326	3.5
73.02950	10.1
73.60272	0.7
76.00460	0.7
82.32285	0.6
83.01387	5.3
85.02947	11.0
86.00061	0.7
87.00867	2.5
89.02449	6.9
95.01380	2.4
96.96019	3.7
97.02946	0.9
99.00864	2.8
101.02441	26.4
102.02798	0.7
113.02444	11.9
116.39229	0.6
119.03496	2.0
119.05055	0.7
133.02946	2.1
135.04510	5.0
137.02422	0.8
143.03455	1.7
144.25742	0.7
145.02914	1.8
149.02441	1.7
150.03200	2.0
159.03021	1.6
159.04420	0.8
161.02469	5.3
161.04567	6.8
179.03491	2.4
184.05298	0.8
185.05620	0.8
199.07584	1.1
202.61003	0.8
219.83890	0.8
258.84753	0.8
277.21826	0.9
387.13272	0.8
439.35605	1.1
467.35190	6.0
483.30954	7.2
484.30951	1.1
485.36389	9.1
486.36560	1.3
645.36359	60.0
646.36627	12.6
663.40918	5.4
673.22241	1.1
705.42181	100.0
706.42432	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	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25709	19.8
61.26075	24.1
61.98830	100.0
64.51002	21.2
71.66010	25.0
78.95961	26.8
80.40040	22.6
96.09723	21.4
102.90221	26.0
109.06625	32.4
128.75058	24.5
135.57468	23.3
150.68977	26.0
171.10262	29.5
196.11221	27.5
207.10223	47.3
277.21747	96.6
664.30560	28.4
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
50.64039	36.1
61.98818	100.0
65.21101	28.2
67.65044	31.1
76.59441	29.0
88.28429	28.4
154.52721	29.9
171.10258	38.1
196.64713	32.4
229.77678	35.5
277.21588	58.1
594.24335	35.0
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
55.38826	0.1
59.01379	2.6
60.01701	0.1
61.98832	100.0
62.98536	0.1
65.44832	0.1
70.37206	0.2
70.37589	0.3
98.20547	0.1
101.68526	0.1
133.03069	0.1
135.04514	0.1
161.02502	0.2
208.57434	0.1
320.01611	0.1
333.61996	0.1
371.18094	0.1
483.15378	0.2
484.15576	0.5
498.16928	0.2
556.18793	0.2
557.18781	0.5
558.18939	1.1
574.15692	0.1
575.15973	0.2
643.22852	0.1
644.22986	0.6
703.25494	0.2
704.23914	2.1
705.22217	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	703.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74929	1.1
53.05792	1.0
55.01880	1.4
57.03429	2.3
58.00597	1.3
59.01380	95.6
60.01710	1.3
61.98835	11.5
71.01385	26.7
72.99311	2.2
73.02947	24.9
83.01384	7.3
83.03321	0.9
85.02947	6.3
87.00887	2.8
89.02429	10.5
95.01401	1.3
98.82402	0.9
99.00891	2.1
101.02447	24.2
110.33183	1.0
111.00861	1.3
113.02451	10.7
116.92844	1.4
119.03500	5.6
125.02430	1.4
127.00437	1.4
129.01971	1.0
131.03529	1.8
135.04515	3.0
143.03508	1.9
145.02908	1.4
149.04533	2.1
159.02979	4.0
161.02458	5.2
161.04543	3.6
162.02754	1.2
179.03497	1.9
184.05334	2.2
199.07585	3.7
205.74956	1.0
308.94009	1.2
357.24368	9.4
358.24811	1.5
437.30634	2.5
455.31818	4.3
599.35931	26.0
600.36554	4.8
605.71875	1.0
613.34283	1.0
617.36847	10.8
618.37274	2.7
626.65881	1.1
631.33655	1.5
659.37982	100.0
660.38300	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	703.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
59.01094	2.1
59.01383	28.4
61.98827	6.8
71.01383	14.3
71.62585	1.4
71.62934	1.9
72.99294	4.3
73.02943	3.3
78.26448	1.5
80.02678	1.8
81.03470	3.5
83.01406	2.6
83.05025	9.5
85.02952	5.1
87.00871	2.9
89.02446	6.8
96.96002	2.7
97.02953	4.8
97.06580	1.6
101.02443	11.6
108.69855	1.3
109.02946	1.7
109.06589	22.1
113.02468	9.4
116.92845	2.6
119.03493	1.8
121.02991	1.7
122.06078	1.7
125.09643	2.0
126.90325	1.4
131.03502	1.4
133.02943	5.8
134.06137	1.7
135.04520	10.2
135.08138	6.1
145.02957	1.6
149.02522	1.7
152.07149	4.8
157.03017	1.5
161.02441	20.4
161.04517	3.9
162.02802	2.1
163.11287	18.9
165.12872	1.6
171.10194	1.7
172.65797	1.4
179.03485	6.1
179.05566	3.5
181.12315	5.4
185.11842	2.2
187.07698	1.4
189.09119	1.6
191.10759	1.8
197.04591	3.7
207.10271	63.4
208.10674	2.4
209.11833	100.0
210.12195	6.5
213.10306	3.1
221.06693	3.7
225.11334	30.2
226.11694	1.7
227.12923	15.0
229.01625	1.5
235.08192	4.3
239.11984	2.1
253.09322	12.2
267.06500	1.8
271.12640	1.5
285.12433	3.4
293.12680	1.7
302.12213	1.3
311.05515	2.3
358.15469	2.6
398.15079	1.5
399.21750	6.0
400.16431	1.8
417.22644	3.4
443.19162	2.8
445.20840	1.6
461.20261	7.3
565.24719	3.0
609.23083	5.5
635.30676	12.5
636.30963	3.2
638.73041	1.6
641.25903	6.6
653.31683	13.3
654.32056	1.6
659.32642	4.8
671.33173	23.6
672.33081	3.9
703.29376	2.6
711.68622	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	703.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51387	2.6
53.83382	2.4
59.01381	100.0
59.34726	2.6
61.98825	23.7
63.07381	2.2
63.68759	2.5
71.01376	14.3
72.99329	5.2
73.02943	4.2
78.95883	2.7
85.02971	4.7
85.91821	2.3
101.02439	11.2
113.02436	6.0
133.02942	13.2
135.04517	15.1
149.02475	7.7
150.03212	2.9
161.02457	37.6
162.02795	7.7
174.03214	2.9
178.02463	2.5
179.03503	12.8
184.05244	3.8
199.07564	6.2
267.06509	3.0
311.05765	4.4
319.56107	2.8
388.10391	2.6
405.40625	3.0
455.31723	6.3
599.35931	20.0
600.36224	3.8
617.36761	13.0
643.38879	4.0
659.37683	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	703.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.98848	0.3
67.01577	0.3
69.44788	1.9
72.99310	13.0
92.90075	0.2
93.03458	0.8
95.05043	0.3
98.19898	0.4
104.08959	0.2
105.03452	0.4
105.95307	0.2
107.05029	0.5
109.02950	2.4
117.03472	1.4
119.05030	0.8
121.02971	0.3
123.04522	6.0
124.23283	0.2
132.02185	0.9
133.02956	24.0
134.03664	1.4
135.04527	31.0
136.04848	1.3
137.02441	0.5
141.33844	0.2
145.02954	3.9
150.03210	0.3
151.04002	0.9
153.01898	0.2
153.05605	0.3
159.04518	0.9
161.02443	100.0
162.02789	5.1
163.03961	0.5
176.53357	0.2
177.01883	0.7
179.03497	17.5
180.03818	0.9
181.05124	0.3
187.04013	0.9
197.04546	19.3
198.04953	0.7
223.02451	0.8
239.07120	1.5
255.10211	1.7
263.06992	0.4
265.05066	0.5
265.12756	0.2
266.05838	0.7
267.06573	0.5
281.08148	2.7
299.09183	0.4
307.06107	1.1
311.05673	0.9
325.03604	0.4
325.07156	5.2
326.07538	0.4
334.84055	0.3
341.06619	0.8
343.08231	2.2
359.07703	31.5
360.08032	3.0
377.08688	0.4
429.10199	0.3
479.13477	1.4
480.14224	0.3
505.11475	1.9
523.12372	1.7
524.12878	0.5
541.12866	0.3
703.16046	1.6
704.17639	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	703.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62432	0.2
53.37389	0.3
59.01365	0.5
69.00904	0.2
71.64973	0.4
72.99311	8.7
84.19688	0.3
88.32436	0.3
88.91154	0.2
93.03445	0.5
105.03449	0.6
107.05009	0.6
108.02138	0.3
109.02951	2.9
119.05044	3.2
123.04535	2.8
132.02177	1.2
133.02954	21.6
134.03473	0.6
135.04529	19.9
136.04874	1.1
137.02440	0.3
145.02957	0.3
149.06105	1.2
150.03246	0.3
151.03990	0.6
161.02444	100.0
162.02788	5.1
163.04039	3.8
165.05589	0.3
175.03999	0.6
179.03502	10.8
179.20479	0.3
180.03848	0.6
180.06969	0.3
181.05072	7.7
182.05519	0.3
187.03972	1.4
197.04544	9.3
198.04884	0.7
218.07646	0.3
223.02434	0.3
227.07242	0.4
231.02977	0.5
240.04131	0.3
255.06601	1.7
266.06039	0.3
281.04660	0.3
281.08075	0.4
293.07736	0.3
297.07639	0.9
315.08801	0.5
323.05566	0.7
341.06656	4.3
343.08212	10.2
344.08649	0.9
359.07712	18.9
360.07986	2.2
375.98456	0.3
479.13382	0.5
495.12625	0.4
505.11066	0.5
521.11328	0.4
523.12585	1.0
539.11932	1.1
541.13403	0.9
703.16522	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	701.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
58.72208	0.4
59.01376	1.5
61.98843	2.3
69.44324	3.9
71.01384	1.1
71.05025	0.6
81.80692	0.5
88.37020	0.5
88.98795	0.5
96.96002	0.5
107.23831	0.5
109.02967	3.5
113.02487	0.7
116.92991	0.6
119.04996	0.6
123.04526	0.6
133.02965	1.4
135.04518	4.0
145.02994	1.7
150.03142	0.5
152.01170	0.5
159.04449	0.6
161.02417	4.6
162.02832	0.6
163.04051	1.2
179.03514	1.7
197.02232	6.7
203.39961	0.5
267.06577	0.6
269.08163	1.5
295.06116	0.8
311.05725	0.7
313.07016	1.0
339.05353	0.7
357.06146	1.9
387.17117	0.5
389.28076	1.3
407.29581	2.7
408.29990	0.7
409.57443	0.6
419.29709	0.5
425.30508	0.7
441.33936	0.9
457.32849	1.0
485.32816	2.7
503.33804	100.0
504.34174	17.0
641.39313	0.6
701.36761	22.3
702.36798	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	701.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
59.12854	0.6
61.98835	2.2
69.69215	3.7
80.48993	0.5
101.02487	0.8
109.02979	2.0
123.04517	0.7
133.02950	0.8
135.04526	2.7
145.02960	0.9
159.04547	1.0
161.02420	3.3
163.04021	0.7
179.03537	1.7
197.02200	7.6
197.04182	0.9
197.32455	0.5
211.80270	0.6
269.08240	1.6
311.05911	0.8
313.07162	1.1
357.06146	1.7
389.28241	1.5
407.29581	2.5
425.30807	0.9
441.33640	0.8
457.33170	1.3
485.32849	1.9
501.32547	0.9
503.33777	100.0
504.34116	18.2
701.36652	21.4
702.37311	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	701.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62033	0.7
57.45252	0.6
59.01381	6.6
61.98826	1.5
67.86831	0.6
69.66576	3.9
71.01388	1.7
71.05057	0.6
72.99314	1.4
85.02943	0.7
94.37706	0.6
95.01409	0.7
96.95998	0.9
101.02467	1.0
106.06619	0.9
109.02969	1.4
119.04999	0.7
122.06114	1.0
133.02977	2.2
134.06117	3.6
135.04488	5.4
151.04001	0.7
152.07156	0.7
161.02451	8.3
162.02800	1.1
163.04004	0.7
174.05542	0.6
179.03477	2.0
180.06567	0.9
181.05063	0.8
188.07161	1.9
197.02246	5.3
228.66541	0.7
253.05238	0.9
253.09827	1.3
263.11905	0.7
277.09781	1.1
293.09335	0.8
295.10886	3.4
305.09369	1.4
307.10800	2.9
311.05576	1.1
313.07196	0.8
321.08813	0.8
357.06076	3.0
407.29263	0.9
409.30927	1.6
421.31174	1.4
441.33551	3.6
442.17755	1.6
442.34277	0.9
453.29617	0.6
457.33081	1.8
473.32767	1.3
485.32809	2.0
502.19928	4.5
503.33780	100.0
504.34094	17.8
519.09094	1.4
546.18848	11.4
547.19287	2.1
578.21613	5.5
579.21259	0.8
701.36884	17.0
702.36755	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	702.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98832	100.0
71.31586	0.6
78.95930	0.2
161.02502	0.4
171.10272	0.9
172.10652	0.7
172.28174	0.2
173.10738	0.3
198.99625	0.2
200.40822	0.3
235.47607	0.3
279.23227	0.3
639.45276	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	701.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	56.0
60.01733	0.4
61.98828	1.1
65.99840	0.5
69.54047	2.7
71.01381	0.8
72.99313	0.7
78.05603	0.3
80.05052	3.3
92.05053	0.4
94.06630	1.6
98.19865	0.8
99.00899	0.5
100.78651	0.4
104.05071	1.3
106.06632	6.8
107.03782	4.4
108.04568	7.0
108.08247	0.6
109.02960	1.7
110.00633	0.4
117.15977	0.4
118.06610	0.7
119.19086	0.4
120.04560	1.2
121.02941	0.6
121.05344	3.2
122.06123	41.4
123.06484	1.2
124.07680	9.3
130.03026	1.9
130.06639	1.3
132.04552	5.0
133.02971	0.9
134.06125	52.2
135.03421	0.8
135.04520	2.9
135.06531	2.2
136.07681	100.0
137.02466	0.5
137.08032	3.8
143.53523	0.4
144.04538	2.6
145.02917	0.4
146.06123	2.9
147.03270	0.6
147.06987	0.4
148.04074	1.7
148.07684	1.6
149.04774	0.8
150.05624	0.8
152.07170	5.3
153.04317	0.5
156.04582	0.4
158.02481	8.6
158.03711	0.7
158.06111	1.1
160.04047	3.3
160.07654	0.6
161.02443	3.1
161.04582	0.5
162.02893	0.4
162.05635	1.5
163.03978	0.4
167.05869	0.8
168.06664	9.7
173.04823	0.9
174.05598	3.0
176.03510	3.3
179.03441	1.9
179.85344	0.4
180.06659	16.6
181.06998	0.5
186.05621	0.9
188.03540	0.9
188.07170	11.1
189.07541	0.8
190.05093	35.2
191.05429	2.3
192.06688	2.1
194.08231	4.9
197.10838	0.5
200.03380	0.4
200.10834	0.4
202.05060	4.7
203.05779	1.2
204.06647	1.4
207.09270	0.7
208.09859	0.4
210.07809	0.5
211.08784	2.0
213.10255	0.5
215.11711	0.4
216.06693	3.6
216.13991	0.8
221.10884	0.9
223.08754	1.4
223.12350	0.5
224.09587	1.5
225.06812	0.6
225.10350	4.1
226.11050	0.8
227.11882	3.7
229.09758	0.7
231.11519	0.4
233.07310	0.6
234.08015	1.1
235.08853	2.7
236.09399	0.8
237.10329	2.0
238.07458	1.3
238.11153	0.5
239.08224	1.0
239.11987	3.0
240.12311	0.4
241.09885	1.0
241.13597	0.5
243.11365	6.7
248.09605	0.9
249.06520	1.0
249.10266	6.2
250.10907	0.9
251.08336	2.2
251.11870	4.7
252.09048	1.4
252.11887	0.4
253.09795	6.0
253.12747	0.4
253.13477	0.4
254.10306	0.5
257.12979	1.9
261.10376	0.7
262.07474	1.4
263.08200	3.3
264.08923	1.7
265.09836	2.4
265.12634	0.4
266.10526	1.1
267.08139	0.8
267.11340	4.2
276.08975	0.5
277.06647	0.7
277.09781	10.2
278.10419	4.0
279.07788	2.8
279.11377	7.2
280.08292	0.9
280.11847	1.1
281.09299	0.9
283.10925	1.2
285.12241	1.9
289.09933	0.4
291.07706	1.5
292.08600	1.7
293.09293	4.4
293.12491	0.7
294.10077	2.8
295.10861	20.1
296.11249	2.4
299.10623	0.6
301.11996	0.8
302.12744	5.1
303.13483	19.8
304.13770	1.7
305.09283	10.7
306.09982	2.6
307.10855	16.3
308.11200	2.1
309.03836	0.5
309.08902	0.9
309.12366	5.7
310.12860	1.0
311.05847	0.5
313.06992	0.6
319.10916	0.6
321.08789	1.9
321.12460	1.9
322.09421	1.3
322.60434	0.4
323.10278	6.7
324.10510	0.5
336.11218	0.8
337.11926	38.1
338.08768	0.6
338.12411	5.1
339.13446	3.6
341.11261	0.7
342.12262	0.6
344.14029	0.5
351.09769	0.5
355.13004	1.5
356.13876	0.5
357.06140	1.4
358.15665	0.8
365.11453	1.7
367.13110	1.1
370.11581	0.6
370.15637	0.7
372.17090	1.2
374.18735	1.4
383.12289	2.0
384.13107	0.7
386.14709	0.8
386.19037	0.9
388.16656	1.1
397.14026	99.3
398.14413	14.5
399.15585	2.6
400.16406	2.3
401.17319	0.6
414.13962	1.3
414.18973	2.3
418.17804	1.5
424.16666	0.6
426.14645	0.6
427.15250	0.7
429.17072	0.5
430.13654	1.4
432.15314	0.5
440.16299	0.6
442.17688	9.7
443.18124	1.8
446.17093	1.8
447.17404	0.6
448.18857	1.5
458.17282	0.7
460.18774	1.8
468.15543	0.8
473.09540	0.4
473.32919	0.6
474.16373	0.6
486.16971	3.2
487.17307	0.7
490.19791	2.3
491.20200	0.5
492.17841	1.9
502.19815	27.9
503.20166	5.1
503.33810	1.4
505.19119	0.7
506.19437	6.7
507.19269	0.9
518.19293	1.5
521.21490	1.0
533.18158	1.5
534.18732	3.1
535.19153	0.7
546.18805	67.6
547.19055	12.8
548.20062	0.6
565.20892	3.8
566.21417	7.1
567.21899	1.5
578.21436	27.7
579.21777	5.9
589.85626	0.5
597.22498	0.6
609.23212	1.3
625.26990	1.2
629.26453	1.2
641.25574	0.6
651.24664	2.3
652.25208	0.6
665.15375	0.4
669.25647	22.1
670.26025	5.6
683.27185	1.9
701.28040	11.2
702.28711	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	701.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55136	0.3
56.67011	0.4
59.01381	25.6
59.57541	0.3
61.98832	2.5
69.58881	1.3
69.59315	1.1
72.99307	0.7
80.05050	3.7
83.01406	0.4
87.20090	0.3
94.06645	0.7
96.95993	0.5
104.05068	1.3
106.06625	6.4
107.03783	0.4
108.04574	2.7
108.08175	0.5
109.02952	0.4
113.16850	0.3
114.83424	0.4
116.05054	0.4
118.06649	0.4
121.05325	0.5
122.06126	3.8
130.06609	1.1
132.04552	1.0
132.08252	0.4
133.02954	0.5
134.06125	26.9
135.04556	1.7
135.06418	1.3
136.07675	2.9
137.02399	0.5
145.05357	0.5
146.06128	2.6
148.04036	1.4
148.07713	2.0
152.07191	3.8
158.06154	0.6
160.04047	1.8
160.07686	1.0
161.02457	2.9
162.02754	0.4
162.05608	0.9
173.04828	0.7
174.05603	2.7
176.07175	0.4
179.03487	1.1
180.06664	7.1
181.06973	0.5
186.05559	1.2
188.07173	15.7
189.07449	1.2
194.08234	1.6
200.07100	0.5
202.12372	0.3
210.07959	0.5
211.08754	2.9
212.09166	0.4
214.04968	0.4
221.10744	0.4
223.08736	1.1
223.12308	0.5
224.09534	1.6
225.10336	4.0
226.11029	1.1
227.11868	5.6
233.10721	0.6
235.08780	0.9
236.09222	0.7
237.10327	1.2
238.07487	1.4
238.11002	0.4
239.08313	0.6
239.11864	1.7
247.08682	0.5
248.09503	0.9
249.06506	0.4
249.10335	2.3
250.07495	0.7
250.10852	0.5
251.08267	2.4
251.11935	2.7
252.09001	1.5
253.09813	6.6
253.13388	1.0
254.10425	0.8
257.13031	0.9
258.13220	1.0
262.07410	0.5
263.08121	1.0
263.11938	0.6
264.08954	1.4
265.09714	2.9
266.10422	1.0
267.11365	4.1
277.09814	5.6
278.06870	0.6
278.10400	1.1
279.07721	3.0
279.11359	3.9
280.08551	0.9
280.11829	0.6
281.09396	0.5
291.07617	1.2
291.10898	0.4
292.08466	2.2
293.09406	4.3
293.12646	0.6
294.09988	3.0
295.10867	23.1
296.11292	2.7
301.11938	0.8
302.12302	1.2
303.12909	0.4
305.09293	3.8
306.09885	1.3
307.10883	19.2
308.11209	1.7
309.12271	0.4
311.10464	0.5
321.08722	1.6
321.12469	1.8
323.10361	0.8
328.14493	0.5
333.08743	0.6
337.12000	0.5
338.09174	0.5
339.09729	1.1
340.10788	0.5
342.12598	0.5
346.19415	0.5
356.13773	0.4
357.14960	0.5
358.15570	0.5
365.11526	0.6
372.17084	1.3
374.18588	1.1
385.14505	0.5
386.18890	0.7
398.15039	1.0
399.15842	0.8
400.16855	2.8
401.16995	0.7
414.18393	3.2
414.79880	0.4
416.15607	0.4
418.17740	1.4
424.16467	0.5
426.14719	0.7
427.15201	0.8
440.16235	1.0
441.16434	0.4
442.17746	13.4
443.18124	2.4
444.15518	0.5
458.17227	0.8
460.18906	2.4
461.19186	0.5
468.15665	1.2
474.20123	0.6
478.19830	0.6
486.16583	4.3
502.19843	42.4
503.20135	7.3
504.17648	0.5
505.18652	0.6
518.19336	1.2
546.18805	100.0
547.19141	17.8
578.21423	41.0
579.21661	9.2
669.25745	1.5
670.25317	0.5
701.28680	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	701.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93693	0.2
56.24719	0.2
59.01381	27.5
60.01686	0.2
61.98821	0.3
69.31661	1.9
74.24809	0.2
78.95903	0.3
80.05061	3.0
94.06620	0.9
104.05077	1.1
106.06630	6.9
107.03774	1.8
107.06931	0.3
108.04562	3.3
108.08196	0.7
116.05045	0.3
118.06644	0.7
120.04611	0.3
121.05351	0.7
122.06120	13.1
123.06500	0.3
130.06642	1.3
131.03772	0.3
132.04552	1.0
132.08182	0.4
132.12415	0.2
134.06122	30.5
135.04486	0.5
135.06413	1.2
136.07671	3.7
144.04517	0.3
145.05319	0.3
146.06129	3.2
147.03181	0.2
148.04063	1.5
148.07697	2.0
150.05641	0.2
151.19501	0.2
152.07167	5.0
152.99619	0.3
158.06116	1.2
160.04030	2.1
160.07672	0.8
161.02385	0.6
161.04762	0.4
162.05598	1.4
172.04111	0.3
173.04839	0.9
174.05586	2.9
176.03563	0.2
176.07166	0.2
180.06657	8.4
181.07040	0.5
183.09256	0.3
186.05583	1.9
187.06216	0.2
188.07170	14.3
189.07506	0.9
190.05084	0.8
191.28191	0.2
192.06841	0.3
194.08237	1.6
197.07326	0.3
197.10774	0.5
199.08765	0.2
199.12440	0.3
200.07141	0.6
202.05058	0.2
206.83194	0.2
207.09253	0.3
208.09814	0.5
209.10855	0.3
210.07957	0.9
211.08728	2.7
211.12343	0.2
213.10332	0.8
214.05106	0.4
216.06728	0.3
219.09007	0.2
221.07219	0.2
221.10692	0.4
223.08789	1.4
223.12396	0.8
224.09532	1.7
225.10320	6.0
226.11032	1.5
227.11856	5.3
228.12447	0.7
233.07144	0.3
234.07898	0.5
235.08749	1.1
236.09482	0.6
237.06612	0.3
237.10298	2.5
238.07491	1.3
238.11060	0.6
239.08180	0.7
239.11877	2.9
240.12469	0.3
241.13278	0.9
247.08678	0.3
248.09537	0.7
249.06557	0.5
249.10297	2.6
250.07347	0.4
250.10938	0.5
251.08235	2.4
251.11862	2.8
252.08984	2.0
252.12363	0.4
253.09782	7.2
253.13365	0.5
254.10371	0.7
261.10336	0.6
262.07532	0.4
263.08258	1.3
263.11703	0.9
264.09006	2.1
265.06693	0.3
265.09793	3.8
265.12921	0.3
266.10477	1.1
267.08215	0.3
267.11340	4.5
268.11917	0.4
276.08981	0.4
277.06610	0.4
277.09802	7.0
277.12891	0.3
278.07092	0.4
278.10455	1.7
279.07748	2.8
279.11362	4.4
280.08408	0.9
280.11987	0.8
281.09271	1.0
281.12823	0.5
285.12418	1.5
286.13144	0.2
287.14026	0.5
289.09839	0.6
290.10648	0.3
291.07724	1.2
291.11166	0.4
292.08542	2.3
293.09274	4.5
293.12888	1.5
294.10007	2.9
295.10858	25.5
296.11343	3.1
297.12161	0.5
305.09320	4.2
306.10120	1.8
307.10870	19.3
308.11182	2.0
309.12485	2.4
310.12595	0.4
311.10306	0.3
319.10880	0.4
320.07910	0.3
321.08768	1.4
321.12433	2.1
322.09421	0.2
322.12988	0.6
323.10345	0.9
330.15997	0.3
333.08698	0.3
337.08307	0.3
337.11951	0.7
338.09094	0.4
338.12680	0.2
339.09793	1.3
340.10541	0.5
342.12527	0.3
343.12930	0.2
344.14050	0.3
346.19177	0.4
351.09863	0.4
353.11386	0.5
354.12402	0.3
355.12952	0.6
356.13989	0.7
356.17865	0.3
357.14697	0.5
358.15558	1.8
365.11456	1.1
368.17679	0.2
370.11612	0.5
370.15643	0.5
371.12311	0.4
372.17236	1.6
373.17514	0.3
374.18753	1.7
375.19238	0.4
380.14267	0.2
384.13171	0.5
385.14151	0.5
386.14810	0.7
386.19220	0.9
396.17142	0.6
397.14041	0.4
398.14914	0.8
398.19366	0.5
399.15393	0.4
400.11682	0.3
400.16644	3.3
401.16980	0.7
408.13437	0.2
409.14401	0.2
412.16791	0.5
414.18604	3.7
415.18619	0.6
416.16098	0.4
418.17746	1.4
424.16623	0.7
426.14160	0.4
427.15332	0.5
428.16238	0.4
432.19638	0.4
440.16312	1.0
441.16638	0.3
441.33560	0.3
442.17734	13.9
443.18225	2.6
444.15482	0.4
445.16107	0.5
446.17001	0.6
458.17206	1.5
460.18765	2.9
461.19321	0.5
468.15625	1.4
469.16190	0.2
474.20331	0.9
479.20605	0.3
486.16647	4.7
487.17029	0.9
502.19839	43.0
503.12552	0.4
503.20148	7.9
504.17300	0.4
505.18460	0.6
506.19150	0.7
518.19360	4.1
519.19434	1.0
528.17615	0.3
546.18787	100.0
547.19116	20.7
548.20001	0.5
550.22052	1.4
551.22205	0.4
565.24719	0.4
578.21405	40.9
579.21790	9.8
591.22357	0.2
607.25720	1.3
608.26099	0.3
625.26563	0.4
651.24371	1.8
652.24915	0.5
669.25623	4.7
670.25842	1.2
683.26965	0.6
701.28247	2.5
702.28955	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	701.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77152	0.3
59.01382	24.7
60.01717	0.4
61.98822	2.5
62.21576	0.3
64.93322	0.3
71.01359	0.4
72.99310	0.5
74.99068	0.4
80.05066	3.6
94.06589	0.5
96.95996	0.6
104.05059	1.1
106.06626	5.2
107.03760	0.5
108.04560	3.5
108.08184	0.7
109.04943	0.4
116.92941	0.4
118.06638	0.8
119.05106	0.4
120.31493	0.4
122.06127	3.5
130.06641	1.3
132.04556	0.8
133.02922	1.1
134.06126	26.1
135.04561	1.9
135.06450	1.2
136.07686	2.5
146.06126	2.2
148.04022	1.4
148.07683	1.6
152.07169	3.4
158.06114	0.7
160.04033	1.6
160.07677	0.9
161.02417	2.7
162.02774	0.5
162.05605	0.7
173.04785	1.0
174.05576	3.2
179.03474	0.9
180.06670	6.8
186.05608	0.8
186.14885	0.4
188.07170	13.3
189.07495	1.0
194.08215	1.3
197.10820	0.7
200.07169	0.5
207.09714	0.4
210.07834	0.7
211.08771	2.1
214.05026	0.6
221.10849	0.5
223.08768	0.9
223.12404	0.8
223.61070	0.4
224.09529	1.1
225.10333	4.2
226.11009	1.1
227.11888	5.5
234.07852	0.5
235.08769	1.2
236.09534	0.4
237.10291	1.5
238.07471	1.2
238.11218	0.5
239.08148	0.4
239.11861	2.1
241.13414	0.6
248.09697	0.4
249.10263	2.0
250.07654	0.5
251.08199	1.7
251.11868	2.9
252.08998	2.3
253.09793	6.4
253.13524	0.7
254.10356	1.0
257.13055	0.6
258.13217	0.5
261.10132	0.5
262.07486	0.8
263.08167	1.4
263.11926	0.7
264.08981	1.9
265.07233	0.4
265.09814	3.4
266.10779	0.5
267.11353	4.2
275.49313	0.4
277.06903	0.6
277.09818	4.9
278.07217	0.4
278.10498	1.3
279.07736	2.8
279.11359	3.7
280.08777	0.7
280.11868	0.5
281.09119	0.6
287.14059	0.4
289.09818	0.8
291.07864	1.1
292.08548	2.4
293.09311	3.9
293.12854	0.9
294.10117	3.1
295.10867	25.0
296.11328	2.7
301.12155	0.5
302.12241	0.8
305.09357	3.7
306.09979	1.9
307.07306	0.8
307.10892	17.6
308.11313	1.6
321.08762	1.4
321.12454	1.7
322.09244	0.5
337.11932	0.5
339.09875	0.7
340.10739	0.5
342.12354	0.6
346.19312	0.5
351.09793	0.8
355.13065	0.8
358.15601	0.6
365.11426	0.7
367.13358	0.4
372.13113	0.5
372.17181	1.2
374.18811	1.2
385.13959	0.5
386.14807	0.5
396.17255	0.5
398.14740	0.8
398.19418	0.5
400.16580	2.1
401.17279	0.4
414.18481	3.2
418.17642	1.5
424.16550	0.5
427.15149	0.8
440.16226	1.1
442.17755	12.3
443.18051	2.5
458.17169	1.1
460.19083	1.7
468.15607	1.3
486.16632	3.9
487.17178	0.9
502.19846	42.6
503.20154	8.4
504.17276	0.4
505.18936	0.5
510.69003	0.4
518.19305	1.3
546.18811	100.0
547.19141	18.7
550.21448	0.5
571.62164	0.4
578.21417	39.9
579.21704	7.4
669.25787	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	701.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18178	2.8
53.49498	3.3
59.01382	100.0
61.18536	3.0
61.98825	6.1
71.10665	6.3
71.11018	4.4
74.81238	3.4
90.65247	3.5
135.99847	4.4
171.10274	13.6
247.54083	3.6
251.20065	3.4
438.13702	5.3
465.73846	4.0
481.15253	48.5
482.15576	12.4
495.16867	8.2
497.18262	4.9
540.16827	10.2
541.16821	4.8
555.10321	5.2
555.18829	92.4
556.19391	19.2
567.17102	3.7
572.15631	23.9
573.15717	9.3
586.16876	5.8
641.22577	38.4
642.22797	15.1
701.24762	77.8
702.25110	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	701.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.9
66.82754	0.3
70.15713	1.6
71.01369	1.9
73.02957	0.4
82.83315	0.4
85.02960	0.8
88.98218	0.3
93.03462	46.5
94.03804	1.4
101.02470	1.4
108.73641	0.3
109.02954	1.0
113.02418	0.8
123.04554	0.4
135.04538	0.9
137.02452	100.0
138.02768	3.6
139.18831	0.3
153.05623	0.4
161.02481	0.7
161.04533	0.3
169.62628	0.3
179.03583	0.3
196.01906	0.4
197.39867	0.4
240.07323	0.4
270.08649	0.5
299.07718	17.9
300.08139	1.5
359.10110	0.4
374.30872	0.4
705.07477	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	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98822	0.9
62.23109	0.8
70.90730	0.7
77.29008	0.6
85.51157	0.6
88.94314	0.6
89.87167	0.6
90.71653	0.7
92.50101	0.7
102.47935	0.7
127.69933	0.7
157.31270	0.6
160.79149	0.6
271.63928	0.7
428.55182	0.9
437.12915	1.1
438.13391	3.7
452.14865	1.5
455.09534	0.9
467.13382	1.2
481.15182	33.1
482.15454	8.4
483.16928	0.7
495.16708	13.2
496.17349	3.8
497.18573	5.3
498.18561	1.1
514.15033	2.9
523.16150	0.8
525.13684	0.8
539.16083	1.8
540.16467	9.3
541.16766	2.3
554.17841	3.5
555.18854	62.6
556.19067	17.2
567.18866	0.8
572.15503	14.1
573.15869	3.7
586.16998	7.4
587.17590	2.1
609.19916	1.7
627.20660	2.2
639.83612	0.7
641.22552	28.9
642.22729	8.9
701.24634	67.8
702.24835	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	701.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90853	0.4
56.49363	0.4
59.01382	5.0
61.98822	2.5
71.01383	1.0
71.65759	0.4
72.99311	14.4
78.95909	1.6
85.02946	0.7
89.83824	0.4
96.95999	0.7
98.64176	0.4
98.95654	0.4
99.92604	1.2
101.02451	0.8
105.03490	0.4
109.02939	1.5
113.02471	0.6
115.92094	0.6
116.92854	3.8
117.03511	0.8
119.01435	0.5
119.05025	0.7
122.06140	1.2
123.04520	5.3
129.86066	0.5
132.02145	1.0
133.02957	21.9
134.03445	0.8
134.06126	2.3
135.04532	17.0
136.04874	1.3
137.02480	0.9
145.03006	0.5
147.00894	4.0
149.02423	0.9
150.03226	0.9
151.04054	1.9
152.99588	1.5
161.02448	100.0
162.02754	4.5
164.01157	3.8
165.01903	2.1
171.00562	0.5
179.03493	16.1
180.03819	1.3
195.02997	0.6
197.04550	23.0
198.04874	1.0
211.37717	0.5
237.05290	0.4
245.04292	1.0
252.04303	0.5
253.09720	0.5
265.05099	0.6
267.06635	0.6
277.09772	0.5
281.04309	0.4
295.10971	0.5
301.11688	0.6
307.10898	0.4
309.04044	1.8
310.04678	0.5
311.05597	1.4
313.07214	0.8
341.06662	0.8
342.07602	0.5
345.06015	1.2
359.07724	22.0
360.08020	2.7
377.08789	0.7
389.08847	1.5
396.17355	0.4
407.49988	0.4
473.26999	0.6
493.55331	0.4
502.19742	0.7
507.09384	0.7
521.10938	1.5
539.11975	43.3
540.12323	7.4
546.18756	2.0
578.21674	1.5
579.22131	0.6
625.26422	0.5
627.24774	0.5
634.71515	0.4
651.24799	1.0
665.39105	0.6
669.25494	0.7
696.96283	0.4
701.15167	2.2
701.29163	4.3
702.29395	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	701.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15610	1.8
59.01384	39.7
59.16096	2.3
69.07979	1.8
71.01382	35.9
71.60689	1.8
71.61115	2.7
72.99310	3.5
73.02944	4.2
85.02966	8.7
87.00869	11.5
89.02447	58.5
101.02442	37.0
107.21387	1.9
109.02985	2.3
113.02440	16.7
119.03504	13.4
124.13785	1.7
125.02444	5.9
131.03532	3.0
135.04567	3.8
136.42563	1.8
142.37346	1.7
143.03500	10.3
149.04500	2.0
161.04552	8.9
179.05600	33.9
197.04584	4.3
203.05643	4.0
221.06664	14.2
231.68236	2.0
341.10864	27.0
342.11374	2.1
359.10110	2.8
383.11957	53.9
384.12430	4.1
413.13043	2.3
437.17288	1.9
443.14120	11.9
444.14551	2.6
461.37891	2.3
485.15259	10.0
503.16321	3.4
539.13794	8.1
575.83057	2.1
665.21442	100.0
666.21710	17.7
701.19098	42.4
702.19635	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	699.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78752	1.3
53.25314	1.3
56.57421	1.3
56.78304	1.2
59.01371	1.4
61.98833	7.6
69.41360	13.8
78.95902	3.0
91.89197	1.6
98.20584	3.0
105.03455	2.4
132.02167	4.4
133.02959	15.4
134.03743	4.3
149.06058	1.8
160.01675	26.5
161.02380	1.9
171.10204	3.2
175.03993	30.9
177.01888	2.0
193.05070	5.3
203.89696	1.7
223.13364	3.6
226.04858	1.4
266.33020	1.5
392.68262	1.7
462.74124	1.6
619.40149	2.5
648.36536	2.1
663.39026	100.0
664.39368	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	0.7
59.01381	13.7
61.98820	1.1
71.01378	1.8
71.15170	0.7
78.95902	0.7
89.02442	1.3
101.02438	1.4
113.02431	0.5
125.09779	0.5
127.11292	1.3
153.09259	0.6
161.04547	0.5
171.10268	100.0
172.10587	4.3
179.05637	0.4
205.19652	0.4
209.11804	1.8
210.12157	0.5
229.65869	0.4
235.08281	1.7
249.18582	43.5
250.18916	3.3
253.09268	5.3
253.21704	1.2
277.21930	0.6
300.97046	0.4
314.71539	0.4
407.19150	2.7
595.24329	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	700.152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93288	0.5
57.77857	0.6
58.73283	0.5
59.01381	6.4
60.35350	0.6
61.98833	100.0
71.03795	1.7
74.35997	0.6
79.46185	0.5
80.16315	0.6
82.64520	0.6
133.02971	1.0
161.02414	2.9
171.10294	1.0
179.03447	0.8
247.79784	0.7
263.95276	0.7
453.65985	0.8
716.07336	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	700.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
59.01380	100.0
61.98832	1.7
65.35349	1.2
68.01414	14.0
70.94956	1.2
71.01385	17.9
72.99313	3.7
73.02950	3.6
82.02948	1.4
83.01383	1.8
85.02956	7.8
87.30857	1.5
89.02419	2.6
97.02900	1.8
99.00901	2.1
101.02449	8.4
109.02948	6.1
110.02488	9.7
112.04041	2.1
113.02442	5.8
119.04994	1.9
120.04546	3.1
120.79668	1.3
121.02969	1.3
121.05376	2.1
122.06138	2.9
123.03271	2.8
123.04562	1.9
124.03993	3.7
131.03729	3.2
133.02933	2.7
135.04538	14.1
136.04831	2.2
136.07690	20.3
137.06084	4.2
138.05606	21.7
139.05980	1.6
140.07207	2.7
145.02936	2.9
147.04521	24.7
148.04926	1.3
148.50087	1.2
158.06041	2.2
159.04524	4.2
161.02467	6.6
161.04558	15.4
179.03493	3.1
182.04562	1.9
184.06114	6.8
186.05608	1.5
188.05624	2.6
189.05540	2.3
197.04553	3.2
203.05600	15.0
219.73825	1.5
229.01413	7.8
230.01756	4.3
230.06677	53.4
231.06940	4.4
257.12900	9.0
267.06598	4.5
268.07004	2.8
269.33994	1.3
276.08740	15.5
278.05377	2.4
294.09915	2.2
295.06036	4.8
296.06476	3.2
298.29608	1.6
301.11804	1.6
313.06693	1.6
319.13452	5.0
336.10950	10.1
339.05075	21.5
340.05389	20.7
341.05777	3.9
359.07593	2.6
502.10611	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	699.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30739	1.1
57.03445	3.9
59.01381	100.0
61.98834	29.6
62.77798	1.4
67.11909	1.2
71.01378	7.2
71.64442	1.9
72.99306	4.6
73.02940	1.5
76.75748	1.3
82.48775	1.2
83.01385	1.6
83.05034	1.9
85.02956	3.1
87.00850	6.1
89.02457	4.5
93.03469	1.5
93.85822	1.2
95.01419	1.3
96.96034	1.6
97.06570	2.4
99.04530	6.1
101.02442	6.4
107.05032	4.6
109.02931	3.3
109.06601	1.2
113.02470	4.0
119.04996	1.4
121.03002	2.3
121.03849	1.2
121.05291	1.6
122.06118	5.4
123.04530	3.3
131.03485	1.2
133.02953	10.3
134.06140	4.9
135.04520	22.9
136.04861	3.3
136.07697	4.1
137.02342	1.4
137.95174	1.4
139.33919	1.2
145.02913	1.6
149.02480	2.6
149.06087	1.6
150.06856	2.4
151.04002	2.3
155.22681	1.2
159.11795	1.8
161.02440	37.0
161.09697	11.2
161.13345	8.3
162.02826	5.6
163.04013	7.4
163.11253	2.5
165.12836	2.7
179.03488	10.2
181.05136	1.8
185.13354	3.4
187.11293	14.8
189.09229	5.5
197.04570	4.1
203.10855	4.2
205.12321	10.1
207.02979	2.7
207.13933	5.4
209.11815	16.5
213.10330	1.4
214.12381	5.2
223.13387	41.3
224.13806	3.2
225.03944	6.7
225.15067	3.9
229.09953	2.0
229.12407	3.2
230.11859	1.5
231.10280	1.6
241.09775	3.5
242.10629	6.4
249.11299	5.5
251.08263	2.3
251.12877	3.4
257.12967	33.3
258.13339	3.8
263.08261	1.5
265.09946	2.4
267.06564	2.9
267.12396	29.5
269.13953	28.0
270.14307	2.0
278.06949	3.6
279.07733	4.3
285.12415	2.5
291.12268	2.0
293.09409	8.9
294.09952	6.2
301.11957	39.0
302.12228	4.5
306.09930	1.4
307.10977	1.5
309.13489	5.3
311.05957	3.1
311.10349	2.1
312.05887	1.9
313.07205	3.3
325.11774	1.4
326.12579	1.6
339.14600	9.8
343.08356	3.1
344.08627	4.5
359.07751	1.6
369.15546	36.5
370.15710	3.6
372.13486	1.8
387.07220	8.4
411.16812	1.7
414.14551	2.6
416.16406	3.2
429.17648	53.9
430.18134	4.9
449.20197	16.0
459.14349	2.2
460.15149	5.2
492.17072	2.5
494.35980	2.8
500.18060	1.7
504.97952	1.4
532.21100	2.5
537.14807	1.9
589.21265	1.5
605.24585	2.0
623.24945	7.1
639.30609	2.3
667.23895	10.9
668.24585	1.9
681.31110	2.2
699.32416	96.4
700.32910	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	699.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22771	0.2
59.01123	0.3
59.01381	6.0
59.01673	0.3
61.98838	0.4
67.01894	0.5
69.32767	1.8
71.62405	0.2
72.99327	0.2
73.21381	0.2
79.05531	0.5
84.04546	0.2
95.05024	0.8
96.35818	0.2
100.55321	0.2
107.03809	0.4
108.04592	0.5
109.02930	0.2
119.05038	0.3
120.04552	2.7
121.05331	1.9
122.06124	6.1
123.06465	0.3
132.04552	0.3
133.02979	0.4
134.05173	0.3
134.06128	3.3
135.04538	0.4
135.06932	1.1
136.07686	10.5
137.02402	0.3
137.07948	0.4
146.06119	0.3
148.07657	0.3
150.06883	0.3
158.02489	0.4
161.02498	0.5
161.07210	0.9
162.05592	0.5
171.11821	2.1
172.07692	0.5
186.09178	0.6
187.11256	0.2
190.05089	1.3
198.09258	1.8
199.10023	1.6
202.04939	0.2
212.10846	0.2
214.07510	0.6
214.12384	11.5
215.12700	1.0
216.08847	0.3
223.13367	0.3
225.06749	0.3
226.07466	0.9
227.03601	0.3
227.08197	2.4
228.08995	0.8
229.09825	4.0
230.06897	0.3
230.09621	0.2
230.11877	3.7
231.12076	0.3
232.39412	0.2
239.11935	0.3
241.09830	8.1
242.10599	15.4
243.10957	1.5
255.11324	0.2
256.12109	0.9
257.12955	84.4
258.13266	7.4
267.06509	0.2
267.12509	0.2
269.13983	0.3
277.09521	0.3
283.06073	0.3
283.10831	0.3
299.05252	0.2
300.11084	0.7
301.11932	100.0
302.12277	10.0
302.14948	0.1
311.05682	1.4
314.20358	0.2
323.10309	0.6
337.11847	1.4
355.04199	0.3
369.15512	0.3
387.07315	1.8
388.07355	0.2
397.14038	4.6
398.14493	0.7
429.17575	0.5
451.24454	0.2
501.32053	0.9
502.02676	0.2
602.71008	0.2
623.25000	0.5
655.26794	0.4
667.24274	0.3
699.32086	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	699.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
59.01383	48.8
61.69216	0.6
61.98832	68.7
62.98542	0.8
71.01378	4.6
71.05008	0.7
72.21721	0.6
72.99292	1.5
82.72472	0.6
85.02988	0.8
87.00871	3.9
89.02469	1.7
93.03437	1.0
95.05022	1.0
97.06617	0.9
99.04510	3.6
100.49368	0.7
101.02451	3.1
107.05030	2.2
109.02998	1.3
109.06651	1.0
113.02455	1.1
116.67006	0.6
119.05034	0.6
120.04572	2.6
120.05816	1.0
121.05330	1.7
121.06595	0.6
122.06136	6.3
133.02946	1.4
134.06082	3.2
135.04520	5.4
135.06850	0.6
136.07686	10.7
137.02452	0.7
145.02983	1.0
146.70329	0.6
150.06802	3.4
151.04057	0.6
161.02454	5.9
161.04456	0.7
161.07184	1.2
161.09697	5.6
161.13359	2.6
163.04053	0.7
163.07658	1.2
163.11275	1.4
165.12860	1.4
171.11818	2.1
179.03513	2.1
179.10753	0.9
185.13365	1.5
187.11292	7.3
189.09241	2.5
190.05156	0.7
197.04631	1.0
198.09195	2.1
199.09900	0.9
203.10747	2.0
205.12346	2.3
207.10226	0.7
207.13893	2.3
209.11803	7.4
214.12361	10.5
223.13391	17.6
224.13701	1.1
225.03845	0.9
225.10257	0.8
225.14949	1.5
226.07343	0.8
227.08247	2.5
229.09781	3.6
229.12157	1.5
230.11919	3.4
241.09795	8.6
242.10600	16.1
243.10890	1.4
249.11214	1.8
251.12949	1.5
257.12961	86.6
258.13245	7.3
267.12393	11.5
268.12802	1.2
269.13931	12.8
270.14264	0.9
283.05960	1.2
291.12411	1.3
293.09378	0.8
301.11935	100.0
302.12244	8.2
309.13312	2.4
311.05530	1.7
312.05673	0.8
316.66367	0.7
337.11960	1.8
339.14590	4.4
346.15561	1.0
369.15500	16.9
370.15762	1.7
387.07269	3.0
397.14169	5.4
398.14215	1.1
429.17621	23.4
430.18042	2.4
449.20346	5.0
472.03891	0.8
476.10886	0.8
480.34555	1.0
494.36008	2.3
495.36765	2.7
553.25165	0.9
576.27380	0.7
639.30267	1.2
639.40283	0.9
667.24213	1.0
699.32233	42.0
700.32617	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	699.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78705	0.1
59.01119	0.3
59.01376	5.5
61.98843	0.2
65.03956	0.1
65.99841	0.2
67.01885	0.7
71.62682	0.1
71.63090	0.1
72.99307	0.2
79.05532	0.6
80.05068	0.1
84.04561	0.2
94.03005	0.1
94.06612	0.1
95.05032	0.5
96.04605	0.1
101.02411	0.1
105.07088	0.1
106.06627	0.2
107.03780	0.4
108.04580	0.7
109.02943	0.3
109.06609	0.1
110.06146	0.1
119.05077	0.1
120.04554	2.7
120.54897	0.1
121.05344	2.2
122.06120	6.6
123.04520	0.1
123.06449	0.3
131.03766	0.1
132.04565	0.3
133.02925	0.2
133.03986	0.1
134.06114	3.7
135.04527	0.8
135.06929	1.4
136.07678	12.9
137.08015	0.6
143.10771	0.1
144.04500	0.1
145.03001	0.1
145.05292	0.1
146.04965	0.1
146.06094	0.3
147.06818	0.1
148.04028	0.1
148.07684	0.6
149.02489	0.1
149.07153	0.1
150.05649	0.1
150.06815	0.2
151.03992	0.2
152.07207	0.1
155.08687	0.2
158.02446	0.3
158.06099	0.2
159.04512	0.1
159.05675	0.2
160.04019	0.1
160.06381	0.3
161.02484	0.6
161.07191	1.1
161.09715	0.1
162.02872	0.1
162.05608	0.7
163.03992	0.6
166.04938	0.1
168.80173	0.1
169.10168	0.1
171.11800	2.5
172.07672	0.4
172.12094	0.2
174.05627	0.1
176.03455	0.2
179.03528	0.4
179.10806	0.1
183.06839	0.1
184.07623	0.4
185.08424	0.3
186.09244	0.7
187.11308	0.1
188.07133	0.1
189.06644	0.1
189.10359	0.4
190.05101	1.3
194.08220	0.1
197.04591	0.2
198.09247	2.3
199.10030	1.7
200.05901	0.2
200.10414	0.1
201.06487	0.1
202.05142	0.2
202.08708	0.2
203.03516	0.2
207.02942	0.2
212.05864	0.1
212.10783	0.2
213.06618	0.3
213.10393	0.1
214.07468	0.8
214.12363	12.9
215.09624	0.1
215.12723	1.0
216.06696	0.2
216.08936	0.2
223.13400	0.3
225.04198	0.6
225.06654	0.5
226.07495	0.8
227.08232	2.7
228.08977	1.1
229.09798	5.0
230.06924	0.3
230.11876	4.1
231.12120	0.3
239.11920	0.5
240.10202	0.3
241.07202	0.1
241.09807	8.0
242.10582	17.2
243.10890	1.3
249.10365	0.2
255.11339	0.2
256.12143	0.8
257.12939	93.6
258.13257	7.8
263.08432	0.1
267.12454	0.4
269.13965	0.2
274.09531	0.2
277.09885	0.1
279.11310	0.2
281.09290	0.2
283.10764	0.5
295.10919	0.1
300.11063	0.6
301.11914	100.0
302.12238	9.0
305.09323	0.2
309.12485	0.2
311.05307	0.1
313.07220	0.5
313.11893	0.3
321.76102	0.1
323.10287	0.2
324.10489	0.1
337.11911	1.7
338.12329	0.1
339.14609	0.1
357.06094	0.1
369.15536	0.3
383.12595	0.1
387.07211	0.5
397.13989	4.4
398.14423	0.7
416.37073	0.1
429.17554	0.3
430.13208	0.1
494.36392	0.1
495.36829	0.3
521.22205	0.2
527.22656	0.1
537.37915	0.1
563.23346	0.1
595.22144	0.4
596.21497	0.1
623.24518	0.5
625.23132	0.3
627.24780	0.2
655.27875	0.1
667.23962	0.2
699.33026	0.5
700.31830	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	699.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58717	0.1
59.01114	0.3
59.01379	5.0
61.03671	0.1
61.98823	0.1
65.03970	0.2
65.99863	0.1
67.01888	0.7
72.99324	0.1
79.05531	0.5
80.05090	0.1
84.04554	0.2
84.93568	0.1
92.44561	0.1
95.05045	0.6
106.06612	0.4
107.03780	0.5
108.04575	0.6
109.02961	0.5
119.05085	0.1
120.04557	2.5
121.05361	2.3
122.06130	5.7
123.04547	0.2
132.04568	0.3
133.02924	0.2
134.06136	3.5
135.04568	0.7
135.06940	1.2
136.07684	12.3
137.08044	0.5
138.05553	0.1
144.04468	0.2
145.02991	0.2
146.06152	0.2
148.04097	0.1
148.07707	0.4
150.06905	0.1
151.04085	0.2
155.08731	0.2
158.02469	0.3
158.06169	0.2
159.04475	0.1
159.05667	0.3
160.06413	0.3
161.02467	0.5
161.07213	1.0
162.05556	0.6
163.04004	0.6
169.10150	0.2
171.11794	2.3
172.07672	0.4
179.03548	0.4
183.06815	0.2
184.07727	0.4
186.09282	0.7
189.10361	0.3
190.05124	1.2
191.05394	0.2
194.08217	0.2
197.04669	0.3
198.09274	2.0
199.10014	2.0
200.05847	0.2
201.06636	0.2
203.03441	0.1
212.10849	0.4
213.06593	0.2
214.07483	0.6
214.12376	12.0
215.12625	0.7
216.09055	0.1
225.04074	0.5
225.06711	0.4
226.07570	0.7
227.08252	3.2
228.08987	1.0
229.09814	4.6
229.13484	0.3
230.06802	0.2
230.11899	4.0
231.12029	0.2
239.11885	0.5
240.10229	0.4
241.09818	7.7
242.10599	17.4
243.10950	1.3
255.11362	0.2
256.12057	0.9
257.12955	91.4
258.13290	8.3
267.12335	0.1
274.09644	0.3
277.09875	0.3
283.10785	0.5
300.11169	0.4
301.11926	100.0
302.12262	10.2
305.09232	0.2
309.12381	0.1
313.07141	0.5
313.11987	0.2
326.32648	0.2
337.12006	1.5
338.12503	0.2
387.07294	0.5
397.14005	4.3
398.14313	0.7
403.62521	0.2
430.13300	0.2
495.36877	0.2
537.38367	0.2
581.23187	0.2
595.22064	0.4
623.25006	0.3
627.24939	0.3
667.23645	0.3
699.26727	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	698.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16720	0.1
52.39894	0.1
56.45856	0.1
59.01370	0.5
61.98832	100.0
62.98533	0.2
64.70554	0.1
71.01372	0.1
72.99343	0.1
85.02983	0.2
94.10068	0.1
98.20699	0.1
101.02455	0.2
104.58349	0.1
133.02971	0.2
135.04575	0.2
149.02440	0.1
161.02460	0.4
162.06876	0.2
162.87033	0.1
179.03537	0.2
311.05402	0.1
394.57376	0.1
419.94614	0.1
474.33191	0.3
475.33511	0.2
476.33627	0.2
636.38605	0.1
637.39050	0.2
638.38702	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	698.376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15656	0.1
52.60635	0.1
54.48161	0.1
59.01382	2.3
60.01711	0.2
61.98832	100.0
62.98539	0.2
71.01385	0.5
72.99329	0.3
73.02948	0.1
85.02961	0.3
89.02464	0.2
98.19823	0.3
99.00861	0.1
101.02465	0.4
101.44753	0.1
106.06669	0.2
109.02959	0.1
112.81858	0.1
113.02457	0.2
114.02829	0.1
121.02914	0.2
122.06105	0.2
123.04539	0.3
133.02954	0.7
134.06139	0.4
135.04538	0.7
137.02443	0.1
149.02415	0.2
150.06821	0.1
151.04047	0.1
161.02457	1.4
161.04593	0.2
162.04916	0.1
163.03975	0.1
172.37366	0.1
179.03522	0.5
197.04622	0.2
223.90736	0.1
249.10426	0.2
257.13287	0.1
265.09799	0.2
267.06699	0.1
301.12009	0.2
311.05756	0.4
474.33844	0.1
532.21057	0.5
537.10529	0.2
576.19843	1.8
636.39490	0.2
637.38550	0.3
638.38782	1.2
667.23761	0.1
682.37683	0.3
699.25610	0.6
699.36017	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	698.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
60.01694	0.1
61.98832	100.0
62.98536	0.2
69.33017	0.4
69.33443	0.7
71.01394	0.5
72.99309	0.4
73.02953	0.1
80.55927	0.1
85.02962	0.3
85.95123	0.1
87.00880	0.2
89.02466	0.2
95.05021	0.3
96.96053	0.1
101.02431	0.6
107.05053	0.1
107.52099	0.1
109.02943	0.2
109.23578	0.1
113.02394	0.1
113.06071	0.1
117.03506	0.1
119.05108	0.1
120.04565	0.5
121.05334	0.5
122.06139	1.4
123.04458	0.1
132.04590	0.2
133.02974	0.4
134.06137	0.8
135.04526	0.9
135.06871	0.2
136.07680	2.6
137.02469	0.2
145.02931	0.4
146.06155	0.1
149.02437	0.2
150.06851	0.3
151.23805	0.1
159.60095	0.1
161.02463	1.4
161.04448	0.1
161.07173	0.2
161.09746	0.3
162.05623	0.1
163.03984	0.2
163.07599	0.1
165.12791	0.1
171.11769	0.5
177.27281	0.1
179.03571	0.6
187.11244	0.4
189.06607	0.1
190.05061	0.3
197.04549	0.4
198.09245	0.4
199.10030	0.4
209.11830	0.4
214.12366	2.6
223.13416	0.8
225.06645	0.1
226.07585	0.2
227.08247	0.5
228.09073	0.3
229.09839	0.8
230.11797	0.9
241.09831	1.8
242.10594	3.7
256.12241	0.2
257.12946	19.9
267.12341	0.4
269.13818	0.6
281.11984	0.2
285.03888	0.1
301.11926	25.0
311.05508	0.5
337.11884	0.2
369.15396	0.8
387.07281	0.4
397.14017	1.2
429.17685	0.9
449.20288	0.4
473.52856	0.2
474.32913	0.3
475.33157	0.2
476.34045	0.2
495.37323	0.2
508.28592	0.2
623.25171	0.1
637.37878	0.2
638.39044	1.4
639.39575	0.2
654.33148	0.2
667.24701	0.2
698.38470	0.3
699.32391	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	698.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03003	0.1
59.01380	0.8
61.98833	100.0
62.98530	0.2
71.01407	0.3
72.99329	0.1
73.02937	0.1
85.02968	0.1
94.52187	0.1
101.02449	0.2
113.02390	0.1
130.64018	0.1
133.02971	0.3
134.06206	0.1
135.04539	0.3
139.07643	0.1
149.02652	0.1
150.03256	0.1
151.07718	0.1
151.48888	0.1
161.02440	0.7
162.02783	0.1
162.06877	0.2
163.07268	0.1
171.61693	0.1
177.09250	0.3
178.41887	0.1
179.03500	0.4
267.06668	0.2
277.80405	0.1
281.43112	0.1
311.05695	0.2
344.34799	0.1
636.38550	0.1
637.39099	0.1
638.38959	0.9
639.29181	0.2
639.39642	0.1
698.41003	0.1
699.30444	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	698.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.1
57.03450	0.1
59.01379	1.3
60.55655	0.1
61.98829	100.0
62.98533	0.2
71.01376	0.3
72.99305	0.2
73.02943	0.1
81.28126	0.1
85.02953	0.2
96.95992	0.6
101.02451	0.4
109.02969	0.1
113.02470	0.3
122.06147	0.2
130.06601	0.1
133.02969	0.5
134.06125	0.7
135.04512	0.6
136.96207	0.1
149.02469	0.3
150.03204	0.2
161.02449	1.3
161.04527	0.2
162.02853	0.1
179.03535	0.3
197.04492	0.1
225.10391	0.4
250.10564	0.1
251.08389	0.1
263.08301	0.2
267.06677	0.4
269.08524	0.1
277.10007	0.1
305.09427	0.1
311.05603	0.4
322.09311	0.1
370.16006	0.1
372.17230	0.5
398.15225	0.4
440.16449	0.4
472.18744	0.3
474.33389	0.2
476.33862	0.3
532.20831	3.3
636.38849	0.2
637.39789	0.2
638.38861	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	697.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73289	1.9
59.01382	100.0
61.98831	10.8
71.01376	11.7
71.18281	4.0
72.99308	4.7
73.02958	4.7
78.95908	1.6
79.14347	1.9
83.01375	3.8
85.02959	5.9
88.98756	1.9
89.02481	2.3
95.01385	2.2
99.00900	2.0
100.73309	1.7
101.02458	12.6
107.77287	1.5
109.02956	1.8
113.02433	4.3
129.09190	2.2
133.02948	6.2
135.04527	8.1
136.57932	2.0
149.02420	4.1
161.02438	19.4
161.04535	4.2
162.02809	3.5
162.06892	2.4
171.10284	4.2
179.03485	4.3
197.15857	1.8
203.67958	1.6
239.20192	9.7
267.06467	2.7
283.06314	2.6
302.14728	1.7
311.05612	3.6
397.13599	14.2
415.14282	3.2
485.02844	1.9
489.93634	1.8
593.40320	10.3
594.40765	3.6
611.41669	8.0
653.43384	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	698.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15744	0.3
59.01379	2.1
60.01720	0.4
60.74374	0.3
61.98829	100.0
76.40727	0.4
78.95901	1.2
81.57463	0.3
98.98093	0.3
103.82430	0.4
131.28233	0.3
192.45581	0.4
217.02965	0.4
229.19975	0.5
250.15898	0.4
306.62274	0.4
466.73428	0.4
698.32507	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	697.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99998	0.3
59.01379	1.0
59.44906	0.3
69.68556	0.7
69.68994	1.3
72.99309	9.7
84.47557	0.4
87.46666	0.3
88.31361	0.3
91.05544	0.5
93.03459	0.6
94.23606	0.3
100.44479	0.3
106.04265	0.5
107.05021	2.0
109.02962	1.1
117.03493	0.7
123.04530	4.2
132.02148	1.5
133.02957	20.5
134.03772	7.7
135.04524	97.8
136.04860	4.1
148.52687	0.3
149.06053	0.4
160.01685	2.2
161.02441	100.0
162.02791	5.6
175.03999	2.0
179.03491	68.5
180.03821	3.6
193.05063	0.4
197.04541	17.1
198.04938	0.7
223.02487	0.5
265.04984	0.3
267.06558	0.5
291.67438	0.3
310.00705	0.3
323.07712	1.2
337.09201	1.5
341.08932	0.4
359.07690	37.9
360.08035	3.7
371.59543	0.3
373.09457	0.8
441.73407	0.3
499.12442	0.7
517.13531	5.6
518.13763	1.1
521.12885	2.3
532.93304	0.4
535.14972	1.7
536.14105	0.4
697.17743	6.2
697.36639	0.4
698.17798	1.0
700.44672	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	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30555	0.3
56.71166	0.3
59.01382	100.0
60.01722	1.1
61.33132	0.3
61.98837	2.9
63.51885	0.3
65.19016	0.3
71.01376	0.7
71.64204	0.5
72.99310	0.3
83.23752	0.3
85.02962	0.4
87.68024	0.3
89.02421	0.3
101.02451	0.7
113.02434	0.7
121.02950	2.6
125.02486	0.4
133.02986	0.6
135.04526	0.6
137.06094	0.8
142.08302	0.3
151.07672	2.3
161.02420	1.7
161.04599	0.3
162.06865	4.3
163.07169	1.6
177.09218	3.3
178.09599	1.0
191.03423	0.7
209.04555	1.6
311.49768	0.3
346.84012	0.3
593.13385	0.9
595.38831	0.5
636.40869	0.4
637.40778	1.3
655.41223	1.0
697.41895	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	697.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
59.01382	100.0
61.98835	8.8
71.01385	16.8
71.05770	1.6
72.99314	4.4
73.02944	5.9
73.07149	1.4
78.95918	1.3
83.01402	3.1
85.02941	7.5
89.02455	2.8
95.01424	2.3
99.00890	2.4
101.02453	10.6
109.02941	1.5
113.02464	7.2
129.09222	2.6
133.02954	8.7
135.04547	5.9
137.20418	1.4
149.02444	2.6
159.03062	2.1
161.02444	22.2
161.04562	6.1
162.02760	2.2
171.10239	4.6
179.03531	4.9
197.04527	2.8
204.63129	1.4
209.11835	5.1
210.12213	2.0
249.18628	1.5
251.19391	1.9
278.21021	1.5
374.90369	1.6
449.36298	3.9
566.52399	1.6
581.31671	1.5
593.40503	8.9
611.41809	23.2
612.41748	7.5
653.42914	4.0
697.38434	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	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
69.50532	3.3
71.01383	1.6
71.12122	0.5
72.99308	51.2
73.99617	0.7
93.03453	1.4
98.20676	1.2
104.95792	0.6
107.05032	1.5
109.02950	2.4
113.01575	0.5
113.02452	0.7
117.03506	1.1
121.02953	0.9
123.04525	22.0
132.02194	4.7
133.02956	34.2
134.03806	6.2
135.04521	50.9
136.04849	2.0
137.02434	1.9
145.02962	1.2
149.06000	0.9
151.04048	1.3
157.11464	0.5
160.01657	12.4
161.02441	100.0
162.02734	5.0
175.04007	15.9
178.02650	0.7
179.03496	44.3
180.03833	1.6
193.05011	4.2
197.04546	50.3
198.04898	2.4
211.06071	4.2
221.04562	1.2
267.06573	1.3
307.20615	0.6
323.07611	4.9
337.09283	8.7
338.09601	0.7
341.08804	0.8
359.07062	6.7
449.27902	0.7
491.28888	0.9
517.13538	2.0
521.13141	4.3
535.14551	90.6
536.14893	14.3
697.17584	5.5
698.17474	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	697.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
64.58530	0.2
69.36223	0.8
69.36633	1.3
71.01373	1.0
72.99309	60.9
73.02919	0.2
73.99638	0.6
77.12608	0.2
85.67979	0.2
87.00835	0.3
91.05539	0.4
93.03442	0.6
94.31329	0.3
95.05023	0.4
101.02456	0.5
107.05044	1.2
109.02966	1.8
110.03222	0.3
117.01897	0.3
117.03485	0.6
119.05023	0.3
121.02930	0.5
123.04524	21.9
123.16713	0.3
124.04836	1.0
132.02151	2.1
133.02968	8.4
133.03984	0.5
134.03758	5.4
135.04526	48.6
136.04834	1.9
137.02487	0.5
145.02898	0.3
149.06065	0.8
151.04021	2.3
160.01662	8.2
161.02444	19.7
162.02792	0.9
165.05609	0.4
175.04004	9.0
176.04373	0.6
177.05600	0.5
178.02742	0.7
179.03497	46.3
180.03865	2.1
193.05066	2.8
197.04546	89.4
198.04889	4.7
211.06134	1.0
215.05521	0.4
239.05551	0.5
275.72739	0.2
323.07724	1.0
337.09262	5.1
338.09738	0.5
341.08752	1.0
359.09891	53.6
360.10321	4.4
431.26349	0.5
433.30746	0.3
449.27518	0.7
473.14365	0.3
491.28607	1.2
517.13336	0.8
521.13068	0.7
535.14557	100.0
536.14880	14.0
576.28851	0.3
653.33527	0.7
697.17810	0.9
698.18158	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	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61300	0.2
54.74839	0.2
59.01377	0.8
61.98837	0.2
69.34375	0.4
69.34788	1.3
71.01384	0.6
72.99307	8.8
80.74252	0.2
85.02944	0.3
87.24660	0.2
88.98793	0.2
89.03957	0.3
91.05517	0.2
93.03458	0.4
95.05035	0.3
101.02433	0.4
105.03464	0.4
107.05046	0.7
107.53670	0.2
109.02954	0.8
113.02464	0.4
117.03474	1.7
119.05012	0.3
121.02961	0.3
123.04529	4.0
132.02177	2.7
133.02959	21.9
134.03760	5.2
135.04524	33.5
136.04851	1.4
137.02496	0.3
139.03975	0.2
144.47501	0.2
145.02931	0.6
149.06100	1.1
151.04019	0.4
159.04527	0.3
160.01656	5.5
161.02441	100.0
162.02766	4.8
163.04065	0.2
175.02473	0.4
175.04004	7.9
176.04349	0.4
178.02737	0.6
179.03491	18.1
180.03810	0.8
193.05043	3.5
196.74423	0.2
197.04541	10.1
198.04906	0.5
223.02480	0.5
267.06653	0.4
269.45670	0.2
305.06747	0.5
311.09219	0.2
323.07703	2.3
324.07996	0.4
337.09283	4.7
338.09506	0.4
358.72977	0.2
359.07703	30.5
360.08090	3.0
416.08954	0.2
473.14450	1.7
499.12454	24.3
500.12799	3.5
517.13617	2.0
518.14087	0.5
521.13110	0.8
535.14581	0.6
697.17493	1.3
697.27362	0.3
698.18396	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	696.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43539	0.1
52.97827	0.1
53.43535	0.1
59.01381	3.5
61.98830	100.0
62.23928	0.1
62.98545	0.2
67.80838	0.1
71.01405	0.7
72.01713	0.1
73.02954	0.3
78.23321	0.1
85.02960	0.2
89.02441	0.2
92.80403	0.1
94.31501	0.1
99.00832	0.1
101.02477	0.4
113.02438	0.2
133.02994	0.3
135.04543	0.3
161.02490	0.6
161.04607	0.3
179.03508	0.4
308.10257	0.2
401.83563	0.1
437.91315	0.2
472.31714	0.2
473.32315	0.2
474.32797	0.6
503.33771	0.2
577.37286	0.2
621.23682	0.1
635.38300	0.2
636.37775	1.3
637.39410	0.2
697.26019	0.2
697.41766	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	696.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01041	0.2
57.26284	0.2
59.01381	8.6
61.98831	100.0
63.42146	0.2
64.15086	0.2
71.01385	1.6
72.99330	0.5
73.02950	0.6
83.01363	0.2
85.02972	0.6
87.00911	0.2
89.02461	0.3
93.03462	0.3
95.43610	0.2
98.19907	0.4
101.02454	1.0
103.98200	0.2
106.60446	0.2
113.02473	0.9
119.03500	0.2
121.02899	0.3
133.02956	0.2
135.04515	0.5
136.05342	0.4
137.02458	0.4
139.07664	0.3
149.06087	0.3
150.06787	0.3
151.07668	1.3
161.02454	0.8
162.06862	19.8
163.04007	0.5
163.07364	0.9
163.21080	0.2
176.08481	0.6
177.09207	16.5
178.09512	0.4
191.07204	0.2
315.25314	0.4
459.29575	2.3
475.34488	0.4
477.30670	0.5
502.32947	0.4
519.32013	0.6
595.38263	0.3
619.38660	0.5
636.39862	0.4
637.39966	1.1
655.41040	0.7
679.40796	0.4
697.41730	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	696.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19062	0.2
61.98830	100.0
67.22949	0.3
78.95946	0.6
161.02397	0.3
209.11937	0.3
354.37421	0.3
595.28961	0.3
696.21729	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	696.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.3
61.98830	100.0
70.80061	0.8
70.80408	0.8
71.01376	1.1
76.52593	0.4
81.03425	0.6
83.01408	0.8
83.05026	1.8
87.92294	0.5
92.04405	0.5
101.02448	0.7
105.81612	0.5
108.68998	0.5
116.92950	1.0
130.05270	0.5
133.02945	3.7
134.03766	0.6
135.04541	1.6
149.72408	0.6
159.05013	0.5
161.02457	13.8
161.03708	0.8
161.04533	0.7
162.02852	0.6
165.12810	0.8
171.10321	1.7
179.03525	0.9
181.08745	2.1
182.09019	0.9
199.09801	3.8
200.10208	1.5
207.10289	0.7
209.11832	14.0
209.13722	0.8
227.12914	1.1
251.20160	7.2
253.09422	2.0
277.21631	4.5
278.22125	3.5
386.14178	0.5
436.19504	0.6
633.37891	25.9
634.38293	5.3
696.41187	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	695.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71529	0.6
59.01384	14.0
59.98887	0.8
61.98826	4.9
71.01392	4.7
71.03862	1.5
73.02540	0.8
73.02950	2.3
78.95897	2.2
81.03465	1.2
83.01398	2.0
83.05025	11.5
84.85943	0.7
85.02963	1.3
85.83984	0.7
85.85688	0.7
87.00874	1.1
89.02451	3.0
95.05043	1.0
97.02933	1.0
97.06593	2.1
99.00871	0.7
101.02427	4.0
109.06589	2.8
113.02431	2.2
116.92905	4.0
125.02433	0.8
135.04494	0.9
135.08191	4.4
137.09711	2.0
152.99612	1.8
156.42238	0.7
161.02467	1.9
161.04539	2.1
163.07646	1.6
163.11267	1.4
171.10237	1.2
179.03496	0.9
181.08708	65.1
182.09061	3.2
199.09749	6.9
199.13541	0.7
207.10263	3.0
208.10477	1.0
209.11969	4.3
225.11288	3.9
227.12978	3.9
230.56305	0.9
235.08263	4.8
249.18637	4.1
250.18915	1.6
251.20291	1.0
253.09276	12.7
277.21729	100.0
278.22073	9.3
279.23318	1.8
341.68665	0.7
419.16428	0.8
424.73282	0.9
463.21600	1.3
467.88083	0.7
547.88879	0.8
555.28601	1.1
583.49365	0.8
695.39813	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	695.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.7
57.03452	2.2
57.29602	0.4
58.00598	1.6
59.01381	56.7
60.01710	0.4
61.98838	2.3
68.91969	0.4
69.03462	0.8
69.47468	2.9
71.01385	22.2
71.05036	0.4
72.99308	2.8
73.02952	8.7
75.00880	0.5
80.02711	0.5
83.01387	7.3
85.02954	12.2
87.00891	1.5
89.02457	2.0
95.01395	1.5
95.05028	9.6
96.96025	0.8
97.02965	0.7
98.03725	0.9
99.00878	3.0
101.02444	25.5
102.02788	0.6
103.13664	0.3
105.10954	0.3
105.93706	0.4
109.02960	0.7
113.02454	7.6
113.06091	21.4
114.06407	0.5
116.92879	1.6
117.92848	0.6
118.92657	0.5
119.03500	0.5
119.05077	0.5
125.02438	0.4
126.90608	0.4
129.01964	0.4
133.02968	3.0
134.03783	0.7
135.03572	0.7
135.04527	6.8
136.04807	0.4
137.02475	0.6
143.03467	0.9
145.02956	1.0
152.07190	0.4
159.02983	1.0
160.01657	1.0
161.02460	9.3
161.04527	5.9
162.02844	1.0
163.04179	0.5
175.04004	1.6
179.03534	3.3
179.05016	0.5
182.26318	0.3
193.05096	0.5
197.04547	1.1
197.64551	0.3
217.44952	0.4
257.12973	1.1
267.06467	0.4
269.94397	0.4
301.11911	1.6
302.12146	0.3
311.05542	0.9
323.07776	2.0
323.20233	0.5
325.21762	1.5
337.09323	0.7
341.21310	2.0
343.22720	2.6
344.22778	0.4
353.06970	0.4
357.24353	2.2
358.24716	0.4
359.25940	14.6
360.26321	2.1
365.24918	0.6
381.24402	0.9
383.25919	4.2
387.21716	0.6
403.24814	1.1
427.24960	1.0
455.31534	1.3
473.32715	52.5
474.33078	8.4
495.37073	1.7
496.37158	0.7
497.37909	0.5
521.31122	7.0
522.31317	1.3
545.31512	1.3
605.86713	0.4
617.36560	1.0
635.37988	100.0
636.38318	23.2
695.40503	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	695.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
55.52331	1.4
57.03437	3.2
59.01381	55.6
61.98833	34.3
69.11328	1.4
71.01385	27.6
72.99300	6.4
73.02934	7.8
83.01384	5.7
85.02949	16.1
89.02454	6.7
95.01379	2.3
97.02972	2.0
99.00880	4.7
101.02451	24.9
113.02449	14.2
117.03461	2.7
119.03506	4.2
119.05041	1.4
133.02919	3.6
135.04521	6.7
137.02502	1.6
143.03485	2.9
145.02940	5.4
147.04523	32.6
149.06073	3.4
150.06879	9.4
161.02463	11.6
161.04503	7.6
163.03938	2.4
163.07649	8.2
167.10851	2.9
177.09122	1.9
178.02629	2.1
179.03458	4.1
179.05695	2.5
179.10750	1.9
210.86679	1.4
325.14697	2.3
391.26349	3.2
407.29410	4.1
408.29996	1.6
411.29269	2.0
425.30612	1.8
435.28891	3.3
453.29977	3.2
473.32666	77.4
474.33130	12.6
476.31238	3.6
487.19626	2.6
490.32867	6.5
491.33841	26.3
492.34222	3.1
505.21155	2.2
533.27350	4.3
533.34619	2.3
547.23004	1.7
635.25391	7.0
635.37958	100.0
636.38434	22.0
651.24701	2.1
653.25543	2.6
653.41431	3.6
695.17908	2.1
695.40033	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	695.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46643	0.4
55.01875	3.7
57.03437	1.9
58.00583	0.9
59.01379	47.4
61.62336	0.4
61.98822	1.0
68.66521	0.4
69.03441	0.9
71.01384	18.5
72.99302	1.2
73.02946	7.2
81.21883	0.4
83.01394	5.5
85.02951	10.6
87.00895	0.9
89.02432	1.6
95.01399	1.2
95.05026	9.4
96.05347	0.5
97.02943	0.8
98.03741	1.1
99.00883	2.8
101.02445	21.5
113.02445	6.0
113.06090	19.3
114.06417	0.7
116.92859	0.6
119.03564	0.5
123.04446	0.4
133.02940	1.2
135.04498	2.8
143.03467	1.1
145.02963	0.5
159.02982	1.0
161.02467	4.2
161.04544	5.2
175.03911	0.5
179.03470	1.8
323.07663	1.2
323.20245	0.7
325.21750	1.4
341.21069	1.6
343.22687	2.7
357.24332	1.8
359.25894	14.3
360.26169	1.9
371.07520	0.8
381.24234	0.6
383.25906	4.5
384.26132	0.6
403.24979	0.8
427.24918	0.9
435.88513	0.4
455.31696	1.1
469.29340	0.6
473.32703	47.1
474.33014	9.8
495.36859	0.6
521.31079	7.0
522.31262	1.2
545.31329	1.2
617.36841	0.6
635.37994	100.0
636.38318	21.5
666.43896	0.4
695.40173	0.8
701.79742	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	695.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
56.19959	0.3
57.03453	0.6
58.00605	0.6
59.01381	14.2
61.98831	3.3
66.35838	0.4
67.64076	0.4
68.93959	0.4
70.00769	0.4
71.01389	3.7
72.32678	0.4
72.99309	0.6
73.02950	1.1
74.28218	0.3
75.00877	0.4
77.25162	0.3
78.95910	0.6
80.02706	0.3
81.03459	1.3
83.01380	2.2
83.05029	11.7
84.46349	0.4
85.02956	1.4
87.00887	1.3
89.02454	2.6
95.05035	0.6
97.06590	1.3
97.79421	0.4
99.00917	0.4
101.02439	4.3
109.06608	2.2
111.27669	0.4
113.02460	1.6
113.56740	0.4
116.92855	0.4
118.00479	0.4
119.03528	0.7
135.04527	0.6
135.08150	4.2
137.09721	1.7
137.40092	0.4
145.05107	0.7
161.02449	1.2
161.04523	1.9
163.07649	1.8
163.11237	0.8
171.10300	0.5
179.03543	0.5
181.08707	64.6
182.09044	2.9
184.91811	0.4
199.09735	6.1
199.13353	2.0
207.10306	1.7
208.10649	0.7
209.11934	3.0
225.11354	1.5
227.12878	5.5
228.13240	0.4
235.08191	4.5
249.18607	4.5
250.18982	1.1
251.20099	0.4
253.09286	11.3
254.09669	0.7
259.20535	0.6
275.20279	0.6
277.21713	100.0
278.22104	9.7
435.18607	0.4
463.21558	1.1
498.96619	0.4
695.39905	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	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
61.98826	1.2
65.04159	0.2
69.52576	0.1
70.30646	0.5
70.31039	0.4
71.01379	2.4
72.99300	0.4
73.02940	0.4
75.00874	0.2
80.02686	1.0
80.03107	0.2
81.03456	1.4
83.01376	0.5
83.05025	4.8
84.02173	0.7
85.02946	0.6
89.02444	1.9
93.03461	0.2
95.05004	0.6
101.02448	2.1
109.06576	0.5
110.07016	0.2
113.02449	1.1
119.03516	0.6
120.27210	0.2
125.02408	0.2
125.06074	0.6
125.09718	0.2
133.02931	0.2
135.04509	0.5
135.08125	0.5
141.68315	0.2
143.03517	0.2
143.82498	0.2
147.11786	0.2
149.02373	0.2
152.99553	0.2
161.02444	0.8
161.04568	0.8
163.11287	3.1
165.12846	2.0
171.10217	0.2
179.03542	0.3
179.05617	0.4
181.12350	0.5
191.10808	1.0
199.09712	0.4
205.19576	0.3
207.10249	0.6
208.10616	0.5
209.11823	100.0
210.12155	7.0
225.11305	0.4
227.12866	10.4
228.13205	0.7
235.08185	1.2
249.18582	44.7
250.18918	4.4
251.19991	0.4
253.09268	6.9
254.09648	0.5
277.21774	1.1
278.21893	0.2
340.76297	0.3
445.20657	0.7
695.19562	1.0
695.39197	0.5
696.20081	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	695.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.3
55.02120	0.4
57.03446	1.8
58.00595	1.2
59.01382	100.0
60.01719	1.2
61.98833	2.6
69.03450	0.6
71.01385	34.9
71.05024	0.5
71.63046	0.4
72.01711	0.4
72.99310	2.4
73.02950	9.8
75.00871	1.6
83.01397	4.6
85.02954	16.0
86.03308	0.3
87.00873	1.9
89.02448	12.3
93.03463	0.4
95.01381	3.4
97.02966	0.6
99.00882	3.6
101.02447	27.0
102.02801	0.3
111.00909	0.8
113.02453	14.9
114.02793	0.4
114.53589	0.3
119.03508	4.7
125.02458	1.2
129.01996	0.4
131.03490	0.6
133.02975	0.9
134.03793	0.3
135.04517	1.2
137.02463	0.8
143.03499	2.4
153.09206	0.4
159.02992	3.2
161.02583	2.2
161.04559	17.4
162.04840	0.8
162.06961	0.3
179.03510	0.8
179.05585	2.0
188.09537	0.3
193.05194	0.3
193.51315	0.3
201.38451	0.3
205.03436	0.6
240.20720	0.3
327.21796	2.4
339.05304	0.3
381.73053	0.3
391.26660	1.1
407.29489	2.2
408.29974	0.4
409.27451	0.6
423.22958	0.3
425.30469	1.1
455.31805	0.7
457.29358	0.4
473.32709	13.4
474.33072	2.3
487.34192	1.4
517.31683	0.4
569.71814	0.3
608.06976	0.3
635.37976	85.7
636.38354	20.0
651.39618	1.0
679.36945	15.7
680.37134	3.6
695.40216	6.3
696.40393	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	695.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03450	3.2
58.00580	1.6
59.01381	61.5
60.01717	1.1
61.01283	0.6
61.98819	1.0
67.01892	0.6
68.99815	0.6
71.01382	43.3
71.05005	1.3
71.64420	1.0
72.99309	3.4
73.02948	10.8
76.52892	0.6
78.99757	0.6
83.01383	5.2
85.02955	18.6
87.00864	2.2
87.96261	0.6
89.02448	21.5
90.05927	0.6
95.01382	2.5
97.02946	1.1
99.00900	3.5
101.02447	33.8
103.30556	0.7
113.02449	16.8
119.03509	10.9
125.02483	1.2
129.01913	1.0
131.03572	1.0
131.52075	0.6
133.02919	0.7
135.04500	1.3
143.03488	2.1
159.02968	2.8
161.02542	3.3
161.04553	22.7
162.02847	0.7
162.04874	0.9
165.04536	0.7
179.03970	1.0
179.05606	9.9
205.03545	0.7
391.26529	1.1
407.29596	2.7
455.31696	0.7
473.32703	14.8
473.39478	0.8
474.33041	2.1
489.35062	1.0
490.35330	1.1
491.35468	1.2
585.79590	0.6
615.44550	0.7
635.37982	100.0
636.38312	21.3
648.60767	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	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02010	0.5
55.01890	3.0
57.03441	1.8
58.00579	0.9
59.01380	23.1
61.98811	1.2
69.38310	2.1
69.38746	2.6
71.01379	21.5
72.99310	0.8
73.02947	6.9
77.18848	0.5
77.41268	0.5
83.01383	8.0
84.07287	0.6
85.02952	12.3
87.00877	1.3
89.02431	5.1
95.01380	1.9
99.00858	3.6
99.29539	0.6
101.02441	36.0
111.00880	0.8
111.42388	0.6
113.02454	11.5
114.02792	0.8
119.03499	1.7
129.01965	0.6
142.02725	0.8
143.03552	2.6
159.02971	2.3
161.04559	10.2
174.03253	0.6
179.05673	0.9
247.33708	0.6
369.92618	0.7
425.26251	0.9
441.30112	7.0
442.30518	0.9
453.30023	4.7
454.30038	1.1
457.29150	0.9
473.32660	24.0
474.32898	4.9
576.86377	0.6
635.37964	100.0
636.38312	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	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.1
57.03418	0.1
59.01382	2.9
61.98824	0.6
69.03468	0.2
71.01382	2.3
72.99310	0.3
73.02946	0.5
73.36487	0.1
80.02681	1.0
81.03462	1.4
83.01380	0.4
83.05024	4.4
84.01717	0.2
84.02150	0.8
84.05351	0.2
85.02955	0.5
87.00876	0.4
89.02459	2.1
95.01401	0.2
95.05035	0.6
97.02934	0.2
97.06580	0.3
98.20692	0.3
99.00845	0.2
101.02435	2.0
109.06606	0.3
113.02459	1.2
119.03520	0.4
125.06074	0.4
135.08174	0.6
143.03525	0.4
147.11717	0.2
161.02457	0.3
161.04543	0.9
163.11298	3.3
164.11607	0.2
165.12842	2.2
179.05627	0.3
181.08824	0.3
181.12318	0.7
191.10794	1.1
199.09753	0.3
205.19524	0.3
209.11821	100.0
210.12163	6.4
227.12885	10.5
228.13179	0.7
229.23747	0.2
231.17517	0.4
235.08150	1.3
242.34378	0.2
249.18584	45.4
250.18912	3.9
253.09274	7.0
254.09598	0.4
277.21677	0.5
375.31375	0.2
441.29941	0.2
445.20749	0.8
471.34500	0.2
517.49896	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	695.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01726	1.4
61.98822	0.5
78.95906	11.5
93.10741	0.4
98.19849	0.9
149.00049	0.5
197.11655	0.5
205.15985	1.1
447.13382	0.6
653.29333	0.5
695.31128	43.1
696.31378	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	695.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.7
59.01382	16.2
61.98824	0.6
71.01384	11.7
71.65896	0.5
72.99312	1.1
73.02954	0.6
83.01411	0.6
84.02193	0.4
85.02964	2.9
85.06590	5.5
87.00874	1.5
87.45324	0.4
89.02444	11.6
95.01364	0.9
96.96019	0.6
99.66505	0.5
101.02455	8.6
109.02956	2.0
113.02454	5.0
113.06091	3.7
115.00378	0.8
115.07637	1.1
119.03508	4.8
119.05014	1.4
120.24429	0.5
121.02930	0.6
123.04533	2.2
127.07629	0.8
131.07140	32.0
132.07524	0.8
135.02957	0.5
135.04486	1.2
149.02449	0.8
153.05563	3.4
159.04427	0.9
160.01654	0.5
161.04561	0.7
163.04016	2.3
175.02466	2.3
179.03468	0.6
179.05502	0.5
208.03711	0.6
223.06168	1.1
253.05086	0.5
269.08130	0.6
291.05081	0.8
293.12421	100.0
294.12793	6.4
300.68146	0.4
337.15045	1.5
357.06168	1.5
357.11954	0.6
540.34485	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	693.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
57.03458	2.5
59.01380	98.7
69.51509	7.0
71.01379	36.2
72.01717	1.2
72.99318	3.1
73.02942	11.3
75.53777	1.1
81.25114	0.9
83.01402	4.8
85.02949	16.0
87.00877	2.8
88.98833	3.0
89.02449	11.7
93.03481	1.3
93.41399	1.0
95.01383	1.7
96.96044	1.0
99.00871	4.9
101.02448	27.1
107.87072	0.9
109.02954	1.8
111.00892	0.9
111.14204	0.8
113.02443	18.0
116.92854	2.8
119.03529	5.2
123.04511	1.3
131.03545	1.3
133.02951	8.0
135.04518	7.7
143.03508	2.5
149.02440	1.0
149.04498	1.1
159.02980	2.6
161.02461	22.2
161.04527	19.4
162.02823	2.2
179.03490	4.4
179.05605	2.9
185.38344	1.0
197.04604	1.2
200.91856	0.9
267.06686	1.1
311.05484	2.7
320.53842	1.1
389.24750	2.1
419.24426	1.4
427.28763	1.5
471.31082	17.6
472.31583	3.8
487.34653	1.5
488.34567	4.1
489.35062	11.5
516.20825	2.1
633.36426	100.0
634.36731	23.9
651.39630	2.2
677.35651	15.7
678.35956	3.9
693.39099	6.4
694.39032	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	693.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.8
57.03458	3.4
58.92273	3.5
59.01384	100.0
61.98828	27.8
68.99821	4.9
71.01386	35.0
72.99309	8.7
73.02945	21.4
75.00893	20.7
83.01366	6.1
85.02960	13.4
87.00881	18.2
88.98787	4.5
89.02433	6.0
92.29649	3.9
95.01393	5.4
99.00908	19.5
100.98381	3.8
101.02447	32.7
111.00882	48.8
113.02453	18.6
118.98100	6.0
121.02993	5.6
129.01926	28.3
133.03000	14.7
135.04503	14.0
141.01936	13.1
149.06042	3.8
150.06860	25.5
150.09955	3.5
159.02992	99.8
159.04236	6.7
161.02423	33.7
161.04565	4.1
162.06877	10.5
163.07632	12.5
165.02029	3.5
177.09193	7.8
178.02701	5.6
179.03494	14.6
179.10812	10.2
209.11769	4.1
332.23752	5.5
344.54501	4.3
473.32870	8.2
485.32819	8.1
488.31494	13.9
489.32169	63.2
490.32651	8.7
544.47552	3.9
633.38861	5.1
693.39233	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	693.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.7
57.03447	3.2
58.00600	2.0
59.01382	83.7
60.01702	1.0
61.78741	0.7
61.98835	5.8
64.72145	0.9
69.03465	1.1
71.01385	50.7
71.62515	0.9
72.01719	1.1
72.99302	3.7
73.02947	18.3
75.00874	1.8
78.95921	0.9
83.01389	12.0
83.05058	1.6
85.02956	26.9
87.00880	2.8
89.02447	10.3
95.01389	4.8
96.96072	1.0
97.02925	1.6
99.00892	6.7
101.02446	58.5
105.03389	0.9
109.02959	1.0
113.02454	24.8
116.92837	1.4
119.03491	3.6
119.05066	1.1
125.02458	2.8
133.02969	5.9
135.04518	6.7
137.02434	1.7
143.03436	4.1
145.02988	2.1
148.11916	0.8
149.02449	2.1
150.03242	1.7
159.02982	6.6
159.04166	1.0
161.02429	25.1
161.04552	32.8
162.02800	2.3
162.04849	1.0
163.04028	1.4
173.68468	0.9
179.03496	3.9
179.05621	1.9
181.05090	3.6
182.05356	0.9
193.05052	1.5
197.04651	1.4
205.03474	2.4
209.11865	0.9
267.06512	3.1
311.05582	2.4
343.08215	3.9
379.26437	1.3
385.23831	2.6
389.24997	1.6
405.27951	3.8
423.29025	3.2
427.28253	2.0
439.28293	2.2
451.28430	5.1
452.28412	1.3
453.30630	1.0
455.28003	1.7
471.31116	71.9
472.31564	12.5
487.34286	11.3
488.34970	4.3
489.35806	8.8
633.36444	100.0
634.36719	20.7
651.40314	3.0
652.41058	1.3
693.41656	6.3
694.41705	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	693.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
57.03458	2.5
59.01380	98.7
69.51509	7.0
71.01379	36.2
72.01717	1.2
72.99318	3.1
73.02942	11.3
75.53777	1.1
81.25114	0.9
83.01402	4.8
85.02949	16.0
87.00877	2.8
88.98833	3.0
89.02449	11.7
93.03481	1.3
93.41399	1.0
95.01383	1.7
96.96044	1.0
99.00871	4.9
101.02448	27.1
107.87072	0.9
109.02954	1.8
111.00892	0.9
111.14204	0.8
113.02443	18.0
116.92854	2.8
119.03529	5.2
123.04511	1.3
131.03545	1.3
133.02951	8.0
135.04518	7.7
143.03508	2.5
149.02440	1.0
149.04498	1.1
159.02980	2.6
161.02461	22.2
161.04527	19.4
162.02823	2.2
179.03490	4.4
179.05605	2.9
185.38344	1.0
197.04604	1.2
200.91856	0.9
267.06686	1.1
311.05484	2.7
320.53842	1.1
389.24750	2.1
419.24426	1.4
427.28763	1.5
471.31082	17.6
472.31583	3.8
487.34653	1.5
488.34567	4.1
489.35062	11.5
516.20825	2.1
633.36426	100.0
634.36731	23.9
651.39630	2.2
677.35651	15.7
678.35956	3.9
693.39099	6.4
694.39032	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	693.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05154	1.6
59.01385	16.0
61.98827	3.4
71.01385	6.9
71.58390	2.9
72.99309	3.5
75.00879	1.7
77.22552	2.1
78.95892	4.4
83.41380	1.7
85.02983	3.0
87.00872	4.1
89.02465	4.4
93.03466	1.9
96.96024	7.7
101.02465	5.2
107.00571	1.9
108.04522	1.8
109.02952	6.1
111.00896	2.0
113.02450	4.5
115.00385	3.7
119.03468	1.7
119.05046	4.1
120.35725	1.7
121.02938	2.3
122.06129	5.5
123.04585	2.0
124.07703	1.9
126.90532	4.2
133.02951	8.2
134.03740	6.0
134.06111	3.7
135.04536	18.6
136.07700	2.8
137.02464	4.8
138.05594	2.1
139.00302	2.0
139.03772	1.7
140.07228	6.7
144.04605	2.0
145.02965	3.9
146.06201	2.0
148.04031	1.8
149.04922	2.8
149.06052	4.4
150.03207	3.7
151.04033	2.5
152.99590	6.3
157.01389	2.0
160.01637	3.3
160.03880	1.9
161.02460	24.7
161.04797	5.2
162.02873	2.7
162.05611	3.6
163.00461	2.0
163.04001	5.0
164.01158	3.5
164.03502	2.8
164.07132	4.3
165.01794	3.1
172.03996	1.9
174.05600	2.6
175.02454	7.6
175.03992	6.8
177.01880	2.3
178.02754	5.1
179.03477	8.6
179.05719	2.8
192.00645	6.2
193.01483	4.8
193.05101	10.1
197.04558	5.3
204.06641	6.2
207.06599	2.1
212.05933	10.0
225.06720	3.4
237.03972	2.6
237.10300	9.5
239.08203	7.3
240.08911	3.6
243.11333	3.5
252.08911	2.1
252.12694	6.5
253.06200	7.7
253.09743	10.0
255.11383	5.9
265.06345	2.2
266.06839	3.7
267.07730	14.9
267.11429	5.4
268.08438	6.5
268.12213	6.5
273.12375	4.3
279.07745	3.5
280.08566	12.7
281.09299	17.4
282.09811	3.1
285.08804	3.9
295.10907	33.1
296.11591	25.1
297.12369	11.3
299.10278	9.9
300.11072	4.4
301.11942	5.2
303.13538	7.7
311.05652	2.9
313.11926	4.8
323.07672	4.5
327.13477	7.3
334.11203	1.8
337.09171	3.5
339.09912	7.3
340.10614	5.8
341.11237	3.6
371.12317	8.0
372.13174	5.5
373.13821	9.7
390.14490	6.7
404.16129	2.6
420.15665	2.6
434.13333	3.8
435.18088	2.3
439.17548	2.5
461.98535	2.0
466.16290	3.4
510.18259	2.2
511.19669	22.5
512.20337	5.1
531.14301	8.0
532.15765	2.0
561.12274	4.9
633.25531	25.4
634.25989	4.9
643.24030	13.6
644.24762	3.2
675.26721	100.0
676.26923	28.1
693.27905	35.4
694.28455	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	693.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
69.53073	4.9
69.53482	7.9
71.01398	2.3
72.80791	1.6
72.99300	4.1
83.01388	1.6
93.03572	1.7
94.06606	2.5
106.06596	3.9
108.04553	4.2
109.02963	2.8
110.06132	2.5
121.05394	2.1
122.06145	12.8
126.90510	5.2
134.03719	2.9
134.06126	19.1
135.04538	4.5
135.06918	2.0
136.07687	5.6
138.05568	2.3
140.07178	22.6
144.04543	2.1
146.06183	2.5
149.04852	8.6
150.05579	6.3
157.86401	1.8
160.03995	2.1
161.02455	11.3
161.04742	2.9
162.05629	10.7
164.03542	6.7
164.07190	11.8
166.05104	4.8
167.05864	2.7
172.04062	3.3
174.05626	4.2
175.03941	4.2
179.03540	3.0
183.32016	1.9
187.08780	2.0
193.05009	4.2
204.06677	7.4
212.05852	9.6
225.06720	3.5
225.10362	3.0
237.10338	8.9
238.07196	2.8
239.08284	11.1
240.09048	4.5
243.11346	5.6
251.08258	4.5
252.08704	4.4
252.10497	3.5
252.12747	5.9
253.06244	13.7
253.09818	20.3
253.12386	2.4
253.13297	2.4
255.11414	5.9
261.12384	7.3
265.06192	4.2
266.07013	9.4
267.07883	19.1
267.11029	12.9
268.08661	11.1
268.11981	10.0
271.10901	3.9
273.12531	14.7
279.07742	9.2
279.11096	2.7
280.08508	31.6
281.09268	36.3
282.09695	4.5
283.10864	3.1
284.08026	2.5
285.08771	2.9
285.12677	2.3
295.10846	100.0
296.11526	38.9
297.12369	20.1
298.09467	2.8
299.10339	4.4
301.11945	9.7
303.13513	41.1
304.13843	4.2
311.10300	2.9
313.11847	4.9
321.14474	6.0
327.13492	29.0
328.10593	3.6
328.14032	2.6
339.09827	27.1
340.10471	7.4
341.11337	7.3
359.07614	3.0
371.12476	34.2
372.13049	5.0
373.14032	4.9
390.14447	3.0
404.16183	2.4
406.14011	3.0
420.15564	3.7
430.98178	1.9
451.70618	2.0
479.16357	2.1
480.17929	2.4
511.19727	8.7
512.19702	2.6
557.23669	5.8
599.25073	17.3
600.25317	2.8
601.22980	34.7
602.23395	6.2
617.25946	6.6
625.22516	3.0
633.25488	17.9
634.26227	4.6
643.24054	67.0
643.34790	3.6
644.24445	14.9
661.25165	47.5
662.25000	10.6
675.26758	43.7
676.26971	11.2
693.27576	16.5
694.27972	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	691.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
55.57790	0.3
57.03451	0.5
59.01382	100.0
60.01717	1.1
61.98840	1.7
64.76691	0.3
70.19864	1.5
71.01385	3.5
72.42568	0.4
72.99311	0.5
73.02943	1.3
78.16547	0.3
83.01414	0.7
85.02950	2.0
89.02470	0.4
95.01456	0.5
101.02438	2.2
113.02468	1.5
124.16125	0.3
133.02954	0.5
135.04538	0.6
161.02484	1.1
179.03523	0.5
293.21515	0.4
421.32114	0.3
421.38138	0.4
460.25076	0.4
587.39703	0.5
605.40662	5.6
606.41064	0.9
647.41486	2.5
648.42682	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	691.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32578	0.1
59.01096	0.3
59.01384	4.7
61.98839	0.2
70.52163	0.6
71.01384	2.2
71.16608	0.2
73.02947	1.3
83.01394	0.5
85.02953	0.5
87.00870	0.2
88.71711	0.2
89.02464	0.9
94.40275	0.2
97.02956	0.3
99.94960	0.2
101.02451	2.5
113.02483	0.8
119.03497	0.4
125.02493	0.4
136.19484	0.2
143.03494	0.3
152.11301	0.2
161.04570	0.3
178.02776	0.2
195.13893	0.4
196.14333	0.2
196.64284	0.2
203.05757	0.3
223.13246	0.3
275.20242	0.2
293.21225	5.6
294.21533	0.7
397.13654	1.7
415.14642	1.7
421.30771	0.3
426.86423	0.2
439.32394	0.2
451.16086	0.2
458.38153	0.2
487.34274	100.0
488.34637	20.1
501.35635	0.4
529.35669	0.9
530.35754	0.2
611.46722	0.2
631.38257	0.2
650.29602	0.2
691.40961	1.1
692.40625	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	691.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.03444	0.6
58.00592	0.5
59.01380	24.0
61.98823	0.7
63.81939	0.4
69.03452	0.4
71.01382	8.6
71.05027	0.4
72.99277	0.5
73.02944	4.1
80.69557	0.3
83.01396	2.9
85.02948	4.9
87.00890	1.0
89.02429	2.3
95.01389	1.0
97.02942	0.6
99.00906	1.6
101.02441	8.5
111.00858	0.7
112.17620	0.3
113.02435	3.9
119.03534	0.6
125.02422	1.3
143.03444	0.7
161.02412	0.7
161.04565	0.9
171.10243	0.4
260.75693	0.4
293.21228	3.5
294.21637	0.5
325.59229	0.3
397.13464	2.0
415.14825	0.9
423.32779	0.4
469.33157	1.1
487.34085	1.9
488.27969	0.4
488.34949	0.4
567.41650	0.3
613.37250	0.8
631.38525	12.1
632.38715	2.8
649.39606	6.7
650.40143	1.2
653.31012	0.3
673.39490	0.7
691.40601	100.0
692.40924	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	691.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01133	0.2
59.01382	2.7
61.16731	0.2
71.01378	0.6
73.02944	0.3
75.17521	0.2
83.05053	0.3
99.84470	0.2
101.02412	0.6
113.02467	0.4
114.50282	0.2
133.02975	1.3
137.09689	0.4
151.04033	0.3
161.02452	5.0
162.02809	0.3
187.47597	0.3
201.16423	0.3
205.16022	1.1
230.02997	0.3
238.32300	0.2
287.51511	0.3
313.07227	0.9
375.26941	0.6
377.28659	0.5
391.30087	1.2
393.31931	0.6
405.27551	0.5
405.32062	0.4
407.33231	6.7
408.33487	0.9
409.31552	0.3
421.30966	0.3
423.32755	1.8
424.33023	0.3
425.34274	11.9
426.34537	2.4
439.32355	1.6
441.33673	2.8
442.33994	0.4
443.35385	0.7
457.33148	0.7
469.33231	6.6
470.33603	1.2
484.55890	0.3
486.33493	0.3
487.34277	100.0
488.34634	17.5
513.32111	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	691.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
65.12589	0.5
70.94684	0.7
70.95000	0.9
73.23645	0.5
90.76270	0.4
150.83730	0.6
191.78510	0.5
261.02863	0.5
279.05148	0.5
317.52643	0.5
319.19592	0.6
377.28433	0.6
391.29626	0.6
407.95358	0.5
423.32736	2.9
424.32852	0.9
425.34216	1.4
427.32645	0.7
439.32413	0.7
441.33316	0.7
443.35486	1.0
467.31674	1.5
469.33167	8.9
470.33340	1.6
487.34274	100.0
488.34598	20.2
534.16620	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	691.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09235	0.2
58.00595	0.5
59.01370	1.5
61.43964	0.2
71.01381	0.5
71.05014	0.8
73.02940	0.6
74.15960	0.2
83.04982	0.2
90.57913	0.2
94.68551	0.2
96.96011	0.7
101.02434	0.6
113.02473	0.2
145.02953	0.6
161.02513	0.2
229.38487	0.2
269.16721	0.2
279.98682	0.2
282.96915	0.2
369.28104	0.3
371.29385	0.3
377.28519	0.3
393.31570	0.3
403.30246	0.4
405.31995	0.4
421.31607	0.4
423.32596	0.4
424.33112	0.2
427.32056	1.2
428.32956	0.3
437.30786	0.7
439.31998	0.2
441.33594	0.2
443.35196	0.8
455.31064	0.3
467.31555	1.7
468.32010	0.4
469.33191	11.0
470.33798	1.9
486.32809	0.3
487.34256	100.0
488.34613	20.1
529.35345	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	691.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04160	0.3
57.03448	0.3
59.01381	100.0
60.01721	1.1
60.37780	0.3
61.98835	1.4
70.09881	1.3
71.01389	4.1
73.02957	1.3
78.95912	0.6
82.13409	0.3
82.56516	0.3
83.01411	0.9
85.02971	2.1
89.02447	0.5
96.96031	1.3
99.00879	0.6
101.02447	3.3
113.02433	1.6
156.89813	0.3
161.04607	0.6
166.72794	0.3
173.42813	0.3
191.75664	0.3
208.42255	0.3
231.09409	0.3
301.17007	0.4
364.72418	0.3
376.32779	0.3
460.47098	0.3
487.34329	1.7
488.34476	0.4
529.29327	0.3
587.39374	4.4
588.40295	1.1
605.40637	7.8
606.40668	1.7
647.41602	4.7
648.42517	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	689.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05087	0.2
59.01382	5.7
61.98833	1.3
69.49387	0.5
69.49791	1.9
69.63412	0.2
71.01394	2.2
71.05025	1.0
73.02933	0.9
83.04981	0.5
85.02972	0.3
87.00857	0.3
88.98803	0.9
89.02435	1.0
94.30495	0.3
101.02459	1.4
109.00045	0.3
111.08139	0.4
113.02425	0.6
116.92834	0.3
125.02431	0.7
127.04044	0.3
128.04291	0.3
133.02969	0.3
135.04485	0.8
145.02939	0.4
161.02481	1.7
161.04454	0.3
165.84868	0.3
167.36279	0.2
167.51576	0.3
179.03482	0.7
215.57541	0.2
235.08214	0.4
291.19653	5.5
292.20105	0.5
369.28210	0.3
397.13489	2.2
403.29855	0.3
405.31671	0.4
415.14609	1.2
423.32712	0.9
425.30487	0.9
437.30536	0.5
441.33640	0.6
455.31738	0.8
467.31735	7.4
468.32031	1.1
485.32718	100.0
486.33081	17.5
595.25629	0.5
689.38043	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	691.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.00577	1.5
59.01381	83.4
60.01708	1.1
61.50662	0.8
61.98829	7.7
69.03444	1.8
71.00983	1.9
71.01383	39.2
71.05019	3.3
72.99294	3.2
73.02947	39.1
75.00885	2.9
78.95943	1.4
83.01393	13.3
83.05026	1.1
85.02943	5.0
87.00880	1.9
89.02463	5.9
95.01425	1.4
98.20655	1.4
101.02445	30.4
111.00889	1.3
113.02457	9.4
115.60067	0.9
116.92876	2.0
119.03503	1.6
125.02448	2.2
131.03500	3.8
133.02972	2.9
135.04543	3.3
141.01715	1.0
143.03525	2.5
149.02480	1.1
149.04567	3.4
155.03534	1.4
159.03043	1.1
161.02435	7.0
161.04562	6.3
162.02771	2.0
179.03497	2.1
221.06514	1.1
235.71683	1.1
236.29593	1.1
407.29620	3.9
411.28909	2.7
425.26419	1.4
439.28534	2.9
443.28128	2.6
469.29562	21.7
470.29852	4.1
485.29248	1.1
487.30563	100.0
488.30933	15.6
617.03076	1.1
631.38263	10.2
632.38611	2.3
649.38855	1.9
650.39575	1.2
691.40839	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	691.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19763	1.1
61.77172	1.5
61.98820	2.2
65.61871	1.3
69.57574	7.3
78.95902	39.5
81.03458	2.1
83.05026	9.0
84.02158	2.2
96.96956	3.8
98.20566	2.4
109.06610	1.4
125.09740	1.3
131.54092	1.2
135.08229	1.5
147.02089	1.3
152.99588	56.8
163.11304	5.0
165.12846	3.0
171.00642	5.6
181.12332	1.6
209.11827	100.0
210.12198	5.2
227.03218	3.8
227.12910	8.3
230.57474	1.6
245.04243	1.5
246.26779	1.4
253.21689	24.1
277.21646	3.0
363.11975	7.8
431.22192	2.1
437.15762	6.6
455.16849	94.4
456.17264	9.5
691.38232	69.2
692.38312	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	689.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03445	0.5
58.00587	1.7
59.01384	37.3
68.99818	0.5
69.03471	1.1
71.01390	12.3
72.99328	1.0
73.02951	15.0
75.00878	1.6
81.03471	0.9
83.01391	4.8
85.02973	2.1
86.44979	0.5
89.02439	0.8
96.96006	1.0
97.02930	1.0
98.19854	1.5
99.00868	0.6
101.02448	20.0
113.02470	4.4
119.03472	0.9
119.04993	0.9
125.02438	1.7
126.98801	0.6
131.03520	2.4
135.04527	1.1
142.04686	0.5
143.03510	1.0
145.02951	0.9
155.03523	0.9
161.02426	1.6
161.04591	0.9
179.03534	0.8
191.14468	0.6
197.45656	0.6
203.05615	1.7
209.11856	0.6
255.17538	0.7
257.12927	0.5
267.06665	1.1
271.98715	0.5
315.09338	0.6
343.90121	0.5
357.25784	3.1
359.27469	1.0
373.25058	1.0
373.29123	4.3
374.29514	0.7
379.30414	0.7
387.27478	0.9
389.28424	3.8
390.29150	1.0
391.26367	2.0
391.30231	1.6
393.31723	2.0
403.30093	0.8
405.27774	0.7
407.29562	23.0
408.30014	2.4
409.31015	6.7
410.31696	1.0
421.31393	1.2
423.33154	1.2
425.30637	1.7
426.83698	0.5
437.30606	0.9
439.32175	31.4
440.32532	4.9
441.33743	15.4
442.33902	2.6
455.31726	3.3
456.32126	0.7
473.32724	100.0
474.33047	16.0
474.39508	1.1
483.31204	2.1
485.32730	11.8
486.32935	1.5
487.30435	0.6
491.09244	0.5
499.34436	5.5
500.34656	1.2
517.31537	0.7
527.33691	3.1
528.34314	0.9
569.34314	1.4
689.38916	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	689.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.7
59.01372	3.9
61.98819	2.0
69.30953	3.1
69.31380	1.4
71.01388	2.1
72.99309	2.8
73.02945	1.7
82.28824	0.5
83.05034	4.0
85.02943	0.5
94.98089	0.5
96.96001	2.7
98.20626	1.1
101.02449	1.8
103.44825	0.4
103.51588	0.5
109.23336	0.5
113.02425	0.6
113.11101	0.4
116.92879	0.5
117.96419	0.4
118.30025	0.4
122.06125	3.0
123.04474	1.1
123.06461	0.8
125.83382	0.4
133.02948	1.2
135.04518	4.1
149.02365	0.5
161.02435	4.7
171.10327	0.5
179.03534	2.8
197.04568	2.9
198.04897	0.6
203.05878	0.4
209.11868	0.5
239.11749	0.5
286.12708	0.7
297.91751	0.5
311.05933	0.5
325.25418	0.8
355.26450	2.1
375.73187	0.5
391.30075	0.9
413.30530	1.2
421.31003	2.1
437.30444	0.5
441.33853	0.7
455.31717	1.5
465.30103	1.6
467.31668	12.4
468.32230	1.3
485.32718	100.0
486.33054	14.9
489.13885	4.0
490.14435	0.9
491.14087	0.6
499.35019	0.5
537.24078	1.1
556.44263	0.5
581.23218	1.8
625.22034	3.0
645.36237	0.5
657.24561	3.0
663.84216	0.5
714.74506	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	689.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48476	1.2
59.01388	8.4
61.98804	1.9
71.01376	3.0
72.99310	22.2
80.05066	10.2
85.02930	1.2
94.06618	3.4
96.95978	2.2
101.02428	1.1
104.05061	2.4
106.06623	2.4
107.03781	2.8
108.03877	1.9
108.04561	25.4
109.02946	5.7
113.02432	1.9
116.92850	1.7
117.03460	4.8
118.72345	1.1
119.05049	1.5
120.04543	3.5
121.02983	2.3
121.05323	2.1
122.06123	29.2
122.06922	2.3
123.04536	10.2
130.06558	1.5
132.04567	2.8
133.02969	24.0
134.03770	1.7
134.06111	6.2
135.04526	49.0
136.03986	1.4
136.04893	2.4
136.07687	3.2
137.02446	6.8
138.05611	1.4
139.04088	1.4
145.02948	3.5
147.00864	1.3
148.04041	3.6
149.02467	6.6
150.03221	3.0
150.05602	39.4
151.03996	4.3
151.05939	1.3
152.07178	5.0
160.04036	2.8
160.06474	2.5
161.02449	100.0
162.02815	5.8
163.04118	2.6
171.10240	2.7
174.05632	2.8
177.01985	2.0
179.03497	23.9
180.03917	1.7
180.06572	2.2
188.07144	4.3
190.05028	3.9
197.04562	30.9
198.04910	2.1
201.10278	2.3
209.11797	7.7
211.08867	2.2
213.10344	10.4
223.08882	1.9
223.12495	1.5
225.10468	3.8
226.10994	1.5
235.08694	2.0
237.05391	1.5
237.10367	3.7
239.11906	9.2
241.04930	1.6
241.09680	1.8
241.13454	5.8
242.69943	1.4
243.11296	3.3
249.10199	2.5
250.07452	2.2
251.08136	3.6
251.11923	2.4
252.08829	1.5
253.09731	5.5
254.05626	1.3
255.06618	4.1
257.12939	6.3
265.09805	5.5
266.10516	1.6
267.06628	5.3
267.11343	3.0
269.09070	1.7
272.94321	1.2
277.06140	1.9
277.09698	2.8
278.06931	3.6
278.10440	2.8
279.07718	9.4
279.11212	3.2
281.09302	1.9
283.06168	3.8
285.07581	3.6
285.12445	22.2
286.12854	1.7
291.07840	2.8
293.09323	18.1
293.12891	6.3
294.10068	6.2
295.10864	12.9
301.11917	7.2
305.09201	2.0
306.09924	1.9
307.10864	4.7
309.12460	1.9
311.05634	18.3
311.09955	1.9
312.05692	3.0
321.08792	5.4
328.10730	1.6
329.06625	31.6
330.06818	4.3
337.08459	9.7
338.08762	2.6
339.09500	1.6
342.12674	2.0
343.13245	2.5
353.11142	1.6
355.13046	1.9
356.17700	1.4
357.14984	1.7
358.15579	5.2
359.07748	20.9
360.07968	3.1
370.11551	1.7
377.08829	9.2
384.13431	3.1
387.16113	1.7
388.16470	1.8
400.16733	10.1
412.16666	3.0
415.15048	2.6
416.15997	4.9
430.17700	5.1
434.17416	1.4
440.15686	1.4
442.14044	1.5
456.15576	3.6
457.15930	1.5
458.17145	4.6
459.14197	2.4
460.15201	7.8
461.14899	1.3
472.18707	4.2
474.16641	5.9
491.09906	10.4
501.15356	1.5
502.16028	15.2
503.16534	1.9
506.19580	7.1
507.20181	2.2
509.11057	10.8
516.17847	11.2
521.22125	11.8
527.11963	14.0
528.12653	3.0
534.18738	3.9
548.20380	13.1
549.20300	2.3
553.24274	5.3
554.24957	2.0
563.23041	26.4
564.22784	6.1
565.20850	13.3
566.21661	8.3
591.75665	1.3
595.25922	8.9
596.25928	2.6
597.23529	28.4
598.24091	7.2
607.22168	18.1
608.22412	3.8
625.23126	5.0
629.26050	9.3
630.26385	2.7
639.13806	1.9
639.24548	37.8
640.24884	9.6
657.25671	19.2
658.26160	5.9
671.26563	6.5
672.27277	1.6
689.15826	1.4
689.27582	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	689.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01723	1.0
69.72297	3.1
71.01385	5.8
73.02949	2.9
73.17558	0.6
73.70766	0.6
76.30599	0.5
83.01386	1.2
85.02980	1.4
89.02454	1.3
101.02464	3.8
109.02975	2.6
113.02483	2.0
119.03545	0.9
121.80027	0.5
125.02396	0.6
131.01640	0.5
135.04553	1.6
137.02466	0.8
161.02483	1.4
161.04604	2.2
162.62271	0.5
183.89615	0.6
239.09096	0.8
269.07953	0.8
269.10455	3.5
311.11472	3.6
331.08145	0.6
384.44046	0.5
461.90460	0.8
689.25977	0.8
701.54480	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	689.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34409	0.9
59.01381	63.2
71.01389	6.7
71.46545	1.8
73.02935	2.7
83.01402	1.2
85.02927	1.7
85.06590	11.3
89.02448	1.8
101.02450	3.1
108.05743	0.8
109.02918	2.3
113.02437	3.1
113.06086	10.7
116.71655	0.8
117.80555	0.8
121.02949	1.9
123.04451	1.0
131.07141	100.0
132.07481	2.8
135.04512	1.9
137.02403	1.2
138.06850	2.5
138.94272	0.8
139.07611	0.9
146.70340	0.8
151.04060	1.3
151.07588	1.6
152.08417	6.1
153.09222	13.6
153.46547	0.9
159.04515	1.5
161.02452	1.8
161.04497	1.4
173.08189	40.2
174.08530	1.9
179.03444	0.9
202.96837	1.0
205.12360	6.4
223.13373	3.4
237.03957	0.9
269.08038	1.0
274.57962	0.8
367.17587	21.5
368.17886	1.3
368.99692	0.9
385.18369	1.8
427.19650	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	689.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04056	0.4
59.01369	1.1
70.04400	2.2
71.01383	0.6
72.99308	25.7
76.07817	0.5
89.03972	1.9
93.03423	0.5
98.20560	0.6
105.03471	0.7
107.05025	0.8
109.02946	2.5
117.03475	7.1
119.04996	0.8
121.02947	2.1
123.04523	10.3
123.05344	0.9
132.02196	1.4
133.02957	29.4
134.03392	1.0
135.04524	37.1
136.04839	2.0
137.02469	5.8
139.03966	0.6
147.00923	1.1
149.02419	5.4
150.03157	1.8
151.04007	4.5
153.05605	0.7
161.02444	100.0
162.02780	4.5
177.01945	1.7
179.03496	21.7
180.03816	0.9
197.04550	30.5
198.04907	1.8
209.06021	1.0
211.07645	0.6
212.04808	0.5
221.06085	0.7
224.04785	0.5
227.07146	0.6
239.07167	2.6
241.05016	1.4
242.05867	0.7
249.05582	0.9
255.04349	0.6
255.06642	3.2
257.08282	1.5
267.06567	2.6
283.06015	3.2
285.07669	2.4
301.12405	0.5
311.05630	13.2
312.06061	1.2
313.07242	0.6
329.06647	57.7
330.06934	4.7
330.10162	0.5
339.04858	0.5
347.07758	1.3
356.75916	0.6
359.07675	12.2
360.08264	1.4
377.08749	4.5
447.10544	1.1
491.09796	15.8
492.10080	2.4
509.10846	4.3
510.11066	0.8
527.11945	17.3
528.11920	2.4
638.03009	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	689.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
59.80183	0.3
69.44872	2.8
71.01389	0.4
72.99307	18.4
73.02938	0.4
89.03978	1.0
93.03410	0.3
96.96013	0.9
105.03477	0.7
107.05028	0.8
109.02962	1.7
117.03457	4.0
119.05025	0.5
121.02967	1.5
122.06155	0.9
123.04528	7.6
132.02151	1.3
133.02953	25.6
134.03648	1.2
135.04526	39.2
136.04834	1.7
137.02446	3.8
145.02968	0.6
147.00891	0.5
149.02460	3.2
150.03200	0.6
151.03983	2.4
158.45140	0.3
161.02443	100.0
162.02763	4.8
163.04146	0.4
177.01892	1.8
179.03496	20.5
180.03738	0.8
180.23036	0.3
187.91547	0.3
197.04549	24.0
198.04871	1.2
201.24352	0.3
207.27179	0.3
237.05518	0.5
238.15657	0.4
239.07144	1.2
241.05104	0.6
249.05624	0.8
255.06696	2.0
257.13095	0.6
267.06674	2.9
283.06122	1.6
285.07651	1.3
293.04611	0.5
301.12064	0.5
311.05609	9.9
312.05948	1.1
313.07144	1.3
329.06641	30.8
330.07010	2.9
331.08304	0.5
341.08920	1.7
347.07587	0.7
359.07721	34.8
360.08066	3.1
377.08801	2.9
430.17798	1.0
447.10550	0.6
474.16730	0.8
491.09894	11.6
492.10233	1.8
506.19452	0.6
509.10858	3.5
510.11087	0.4
521.11346	1.0
527.11987	5.9
528.12573	1.0
539.12061	0.7
566.22186	0.7
595.25543	0.4
599.27209	0.4
688.39264	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	688.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07445	0.8
53.69952	0.7
57.03453	6.4
59.01384	10.3
61.33895	0.7
61.98835	10.2
66.91178	0.8
69.03448	1.2
69.36216	1.1
69.36617	6.6
71.01383	4.9
71.05023	21.6
72.99288	1.8
73.02938	1.5
82.92980	0.9
84.04503	0.8
89.02473	1.0
93.03484	1.0
96.08150	0.9
96.96017	1.5
97.02989	1.1
97.06550	1.0
101.02431	2.4
111.08148	2.0
112.29165	0.8
113.02477	1.6
113.06091	2.7
114.09248	1.8
116.92864	0.9
122.06129	1.4
123.04519	1.3
125.09705	0.8
133.02953	2.9
134.12367	0.7
135.04515	5.1
137.02431	2.4
139.11215	0.7
143.10777	25.7
144.11064	1.1
152.07213	0.9
155.03394	1.1
157.26735	0.8
161.02457	8.7
163.03969	1.1
167.14412	26.4
179.03476	2.1
181.05026	0.8
183.46828	0.8
185.11819	15.4
186.12125	0.9
197.04626	1.4
207.10143	1.0
209.11855	2.5
209.15440	1.5
211.13397	36.8
212.13788	2.1
225.11417	1.4
229.14441	38.1
230.14767	3.6
243.15990	3.6
253.14349	4.5
254.17616	4.5
272.18652	21.4
273.18997	1.5
278.06732	0.9
279.07706	1.4
281.21347	4.5
293.09341	2.3
294.10126	1.3
295.67276	0.8
299.22177	1.5
325.20108	4.1
326.23373	4.7
359.07458	1.0
416.16525	1.2
417.21918	0.8
422.29077	2.2
440.30148	100.0
441.30460	17.2
482.31097	3.3
488.34427	2.0
492.17694	1.6
581.23669	1.1
613.26678	0.9
644.33508	1.3
657.25629	1.5
689.34009	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	688.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47087	1.2
58.00592	1.4
59.01381	76.4
61.98826	6.3
71.01386	20.2
71.05034	5.5
72.99304	5.1
73.02940	8.0
76.49729	1.1
83.01383	3.4
85.02961	6.3
89.02432	5.3
95.01382	1.9
96.96010	5.3
101.02438	13.9
111.08744	1.1
113.02463	8.8
114.09152	1.1
115.07632	3.1
115.52301	1.2
116.92889	1.8
117.03500	1.5
119.03467	1.9
119.04993	1.9
120.60555	1.0
122.06119	1.3
123.04514	1.5
133.02943	4.8
135.04539	13.3
140.47078	1.0
141.85507	1.2
143.10812	1.9
145.02948	6.2
149.02415	1.3
150.05722	1.1
151.03981	1.4
156.10249	2.9
158.11841	4.9
161.02419	16.8
161.04524	2.4
162.02779	2.5
163.04010	3.2
163.11237	1.5
171.10254	1.7
179.03531	6.8
183.13914	2.7
185.11833	2.6
197.04541	3.3
209.11798	5.4
210.12131	1.4
212.11433	1.2
225.11385	1.2
229.14214	1.5
267.06711	1.2
272.18353	1.2
311.05530	2.0
358.99921	1.5
411.56879	1.4
440.30157	7.3
485.32498	2.1
578.21252	1.9
584.35004	1.6
596.22089	1.9
602.34875	3.2
626.35199	4.4
644.36493	100.0
645.36945	17.7
656.20459	1.6
688.36877	1.5
689.39044	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	688.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.6
59.01380	19.2
61.98827	3.7
65.33758	1.8
65.74752	1.8
71.01382	9.3
71.05028	11.2
72.99312	4.6
73.02945	4.3
74.34039	1.7
83.01404	3.2
83.05041	4.3
85.02964	3.6
96.96024	6.1
97.02953	2.1
97.06623	2.6
101.02434	7.8
101.11574	1.5
109.02956	2.8
109.06596	1.7
113.02468	3.1
113.09773	1.9
114.09310	3.0
115.07651	17.8
117.03493	3.0
119.05014	5.4
122.06049	2.1
123.04519	2.8
133.02977	19.1
135.04543	12.1
140.98717	2.2
143.10736	2.4
145.02988	3.3
148.66908	1.8
148.74966	1.7
149.02368	2.0
151.03914	2.0
156.10297	12.0
158.11850	10.9
161.02441	62.6
162.02773	5.2
165.12903	8.6
167.14439	3.4
171.10229	2.3
174.03282	2.9
179.03572	3.3
187.04045	2.1
189.05473	3.0
197.04549	2.5
201.11412	1.9
209.11839	16.3
211.13402	3.7
226.08795	2.0
227.12868	26.6
228.13254	2.2
229.14439	8.8
231.06593	3.0
239.16371	4.1
243.02898	3.2
251.12820	3.3
255.31314	1.8
257.17532	21.3
258.17725	2.0
281.17719	4.1
281.21234	5.0
299.18613	11.2
313.07108	8.9
314.07651	2.4
316.45044	1.8
323.18607	7.9
324.21786	5.2
325.20160	2.5
359.07834	2.3
370.55838	1.8
377.79141	1.9
381.08221	3.2
389.06427	2.0
422.29062	2.9
440.30151	100.0
441.30276	17.2
467.31747	9.8
485.32770	56.2
495.09439	2.8
527.11969	13.7
528.01471	1.5
644.36804	4.6
645.37000	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	688.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44373	0.3
52.77000	0.3
59.01381	10.7
61.98832	8.4
68.14948	0.3
70.46141	0.3
70.99899	0.3
71.01392	1.7
71.01719	0.2
83.01371	0.3
83.05029	3.3
85.02936	0.6
93.03423	0.3
94.72970	0.3
95.01416	0.3
95.05054	0.3
97.02924	0.3
99.04485	0.3
101.02445	1.1
105.03434	0.5
109.02982	1.9
110.90033	0.3
113.02458	0.5
116.92836	0.3
117.03475	0.3
121.02977	0.7
121.06611	0.4
122.03762	0.4
123.04534	2.3
126.27843	0.3
127.04009	11.2
128.04382	0.4
132.02203	0.5
132.37933	0.3
133.02959	18.3
134.03297	1.0
135.04588	1.6
137.06059	0.4
139.07658	2.7
145.02902	0.4
149.02437	2.6
150.03232	3.3
151.04012	3.7
161.02441	100.0
162.02776	4.7
165.05579	2.2
170.62909	0.3
177.01945	0.4
179.03511	2.5
214.03609	0.3
216.86554	0.3
238.06537	0.4
239.07040	0.3
249.05534	0.4
250.06395	0.5
267.06610	10.2
268.07086	0.9
283.06076	1.1
311.05609	14.6
312.06033	1.4
313.07162	37.9
314.07526	3.5
395.65289	0.3
399.64450	0.3
439.34274	0.3
441.90411	0.3
445.09219	1.0
475.10150	2.2
483.31152	0.6
484.31549	0.5
485.81870	0.3
499.32565	0.5
517.33710	0.4
518.33661	0.3
577.35767	0.4
583.38263	1.5
584.38501	0.6
601.39526	2.2
602.39923	1.0
643.40619	1.3
644.40552	1.0
668.57147	0.4
687.39587	1.6
688.39856	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	688.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47228	1.1
58.31881	1.0
59.01382	15.9
61.63938	0.8
61.98833	7.4
62.74821	1.0
65.35741	1.1
68.09153	0.8
71.01373	3.1
72.85100	0.9
72.99323	0.9
73.02945	1.2
73.93245	0.9
77.41451	1.0
78.95914	1.8
79.59502	0.8
83.79712	1.1
85.02969	2.1
93.03414	1.1
101.02440	3.0
109.02961	4.1
113.02467	1.4
116.92826	1.7
123.04536	2.3
127.04002	1.0
128.74998	1.1
133.02950	18.9
135.04546	5.6
145.02940	1.3
147.30070	1.0
149.02458	6.8
150.03249	6.9
150.05646	1.3
151.03940	4.0
159.04628	1.1
161.02452	100.0
162.02776	5.8
179.03481	2.6
191.70198	1.0
195.06712	1.1
203.05553	1.1
219.07487	1.1
253.09567	1.3
267.06583	8.7
268.07175	1.5
269.03809	1.1
269.07971	1.5
295.06180	1.7
295.10730	2.2
296.11160	1.3
311.05646	12.6
312.06036	2.7
313.07184	37.7
314.07471	2.6
321.08762	1.6
371.73956	1.1
445.09302	2.3
475.10458	1.6
483.30911	4.1
484.31372	1.4
485.32809	2.8
584.96820	1.2
612.21454	2.8
627.35138	2.1
628.35699	1.3
645.36511	4.8
646.36969	2.4
655.20081	1.5
656.20911	4.3
687.37604	2.1
688.22821	1.6
688.37054	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	687.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.5
60.57514	1.2
61.98827	4.7
68.86188	1.1
69.03429	1.7
69.38144	2.3
69.38554	8.8
71.01385	3.7
73.02957	1.8
78.36978	1.2
83.05026	2.7
85.02940	2.0
89.02412	1.7
95.05003	2.5
96.96033	2.3
99.00895	1.3
101.02444	2.2
103.76814	1.2
113.02434	1.7
116.92862	2.0
119.05048	1.6
122.06102	3.5
127.04000	8.8
133.02924	4.1
134.06104	3.3
135.04520	6.0
139.02991	1.7
139.04024	12.9
139.07646	1.5
145.02936	3.9
145.99126	1.3
152.07196	1.9
154.46202	1.4
161.02457	12.9
162.02818	1.8
162.09239	2.0
163.04018	3.2
165.05542	1.4
171.10297	2.0
179.03462	2.5
190.08730	1.9
190.58592	1.5
197.04497	2.5
209.11884	6.1
216.60866	1.1
223.13472	1.5
251.08354	1.3
253.09457	1.5
262.07468	1.3
279.07959	1.8
315.13840	2.5
328.10953	2.1
330.12436	2.8
342.08948	1.9
342.12561	4.6
343.09741	2.5
343.13559	2.5
344.13953	3.5
346.15689	2.2
354.08792	2.4
355.09662	3.5
355.13443	1.6
356.10306	4.9
357.11017	2.9
358.11923	15.9
358.15939	2.1
359.12039	1.5
368.10312	2.9
369.11600	2.8
370.11838	21.2
370.15906	2.0
371.12924	9.2
372.13525	8.3
382.08212	1.6
383.08960	3.2
384.09332	2.2
384.13687	8.8
385.13995	3.7
386.15179	25.1
387.15375	2.8
396.13831	1.6
398.11472	33.1
399.11969	11.8
400.12411	1.6
412.12857	9.3
413.13696	28.7
414.14557	100.0
415.14987	15.2
430.14008	4.2
431.14349	2.2
444.15689	16.2
445.16379	33.7
446.17096	28.9
447.17462	3.6
458.07626	2.3
458.13550	28.6
459.13806	4.0
483.31070	2.7
489.15521	3.3
490.16226	43.1
491.16519	5.7
579.22479	37.2
580.22852	8.9
583.38477	1.3
601.39209	3.4
611.25220	27.9
612.25476	6.0
623.21338	6.1
643.40277	1.9
655.24133	21.6
656.24329	4.1
687.40045	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	687.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77417	9.9
52.22218	8.5
52.30153	9.3
52.42611	9.9
56.10619	8.6
59.01382	28.9
61.98834	100.0
66.62840	10.7
69.47457	75.5
71.01388	31.6
72.99317	13.8
78.95924	9.9
106.44231	9.5
115.57961	8.2
133.02991	35.1
135.04546	24.5
161.02455	91.2
171.10268	13.0
179.03532	14.9
209.11823	25.7
228.01048	20.4
253.21738	48.8
255.23357	24.3
281.24753	25.0
311.05832	11.7
397.13474	85.2
415.14325	16.3
649.37677	44.6
651.37476	18.2
687.33563	66.6
688.34094	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	687.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82237	1.3
59.01139	1.3
59.01379	11.8
61.98812	2.2
67.89230	1.6
71.01376	1.7
72.99306	11.5
78.81354	1.7
80.05059	8.5
81.02881	1.4
86.41931	1.4
94.06644	15.9
104.05051	4.3
106.06657	2.3
107.03786	2.0
109.02981	2.2
112.85910	1.6
116.92837	1.8
120.08212	2.3
122.06120	96.0
123.04520	4.2
123.06446	4.5
126.32857	1.9
132.04514	2.2
133.02942	4.0
134.06096	7.1
135.04541	11.3
136.07631	1.8
148.04022	1.9
151.04002	1.9
152.07198	1.4
160.04041	4.3
160.06390	3.5
161.01241	2.2
161.02455	14.8
161.04730	1.9
162.57578	1.9
174.05582	6.7
179.03528	10.7
186.05540	2.9
188.07158	2.9
190.05074	1.7
197.04538	10.6
209.11746	2.0
211.08801	1.7
213.10321	16.7
215.11876	3.2
223.08702	1.9
225.10294	1.7
237.10379	2.8
239.08167	2.1
239.11885	18.8
241.13358	8.8
249.06590	1.7
250.07515	3.3
250.10623	1.3
251.08186	3.3
251.11772	3.5
253.09677	2.2
263.08151	2.5
265.06396	1.5
265.09750	10.9
266.10333	2.6
267.11438	5.8
277.09647	2.6
278.07086	3.4
278.10318	2.7
279.07748	5.0
281.09344	10.0
283.10895	3.3
285.12485	29.5
286.12854	3.5
292.08282	2.2
293.09305	14.8
293.12698	2.3
295.10876	8.7
309.12320	3.1
310.09351	2.0
325.11929	8.2
328.10904	2.8
342.12131	2.7
343.13330	1.9
344.13968	3.1
351.09735	2.1
354.11981	1.8
356.13992	2.3
357.14722	2.1
358.15573	8.3
369.10703	4.3
370.11584	3.4
370.15698	2.5
372.17374	2.0
384.13474	9.1
385.14175	3.7
396.13382	1.9
397.13974	2.5
398.14874	5.2
399.15607	3.6
400.16595	17.3
401.17163	2.9
412.16718	6.2
413.17264	2.1
428.16190	4.5
446.17264	2.8
456.15561	5.5
457.15897	1.8
465.23114	2.0
467.24393	2.2
474.16452	6.1
475.17593	2.3
489.13934	19.2
490.13739	3.1
491.20197	2.1
493.22305	4.0
507.24017	3.2
511.23444	2.3
518.15588	6.3
533.21307	4.7
535.23492	15.0
536.23920	3.5
537.21210	2.7
551.23169	8.6
561.21411	6.2
564.19843	1.8
579.22491	50.7
580.22809	11.4
595.21985	3.2
605.20496	8.3
606.20575	3.3
611.25177	6.4
623.21484	100.0
624.21649	17.3
655.24103	78.6
656.24506	16.8
687.25598	2.3
696.62842	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	687.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23936	0.4
57.51845	0.4
59.01381	6.1
61.98821	2.2
70.29425	1.3
70.29838	0.9
71.01392	3.0
72.99307	5.3
73.02948	0.7
78.95881	0.5
81.03427	0.6
85.02955	1.0
89.02437	1.1
91.54738	0.5
93.03455	1.8
93.47287	0.4
94.06630	0.7
95.05033	0.7
96.96011	1.9
101.02461	1.5
105.03445	1.2
107.05057	0.8
108.02158	1.2
109.02955	9.7
113.02438	1.2
116.92885	1.0
117.03522	0.8
119.05013	0.7
120.99660	11.0
121.02968	3.8
122.03712	1.6
122.06117	3.6
123.04527	23.5
124.04861	1.2
126.90484	0.7
132.02177	1.1
133.02962	23.2
134.03716	1.8
135.04521	36.0
136.04892	1.6
137.02435	6.2
138.02740	0.7
139.03984	0.9
145.02957	2.1
146.06149	0.5
147.04533	0.9
149.02444	14.7
149.06038	1.6
150.03241	11.6
151.04007	62.0
152.04388	2.7
154.02580	0.5
159.04520	1.7
161.02441	100.0
162.02765	4.4
163.04019	0.8
165.01935	1.4
173.02330	0.5
174.03209	0.8
175.03964	0.9
177.01945	1.4
177.05594	2.2
179.03490	54.5
180.03854	3.2
194.02286	0.6
195.02953	1.4
197.04514	5.0
197.06079	0.6
203.03462	1.2
209.11833	0.8
211.02483	0.8
211.07596	0.7
213.04031	3.8
221.04460	3.3
239.07076	1.1
239.12019	0.6
249.05542	1.0
250.06389	0.6
255.06589	0.7
265.05112	0.8
265.09708	0.5
266.05792	1.1
267.06607	19.3
268.07129	2.7
269.08185	1.4
281.09207	0.5
283.06119	2.0
283.10880	0.6
285.07907	0.8
285.12357	0.6
293.09473	0.9
295.06088	1.7
297.07471	0.5
311.01959	1.0
311.05612	21.7
312.06186	2.5
313.07159	25.5
314.07556	3.2
329.06494	0.7
341.06689	3.4
358.15530	0.6
359.07477	2.4
360.08047	0.6
375.07193	8.2
376.07755	1.0
394.71118	0.6
445.09442	1.7
475.10812	0.6
487.34531	0.8
491.09796	1.3
507.09415	1.3
518.15680	0.5
525.19336	3.2
579.22595	1.5
623.21100	2.4
627.41962	0.5
643.34503	1.2
655.24225	3.6
687.34979	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	687.214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81063	1.1
59.01382	10.6
71.01388	6.7
72.99310	1.9
76.86149	1.1
85.02953	2.5
86.35019	1.1
87.43321	1.1
89.02449	6.1
101.02439	5.6
109.02952	1.9
113.02436	2.6
117.35752	1.3
119.03670	2.0
119.05026	54.9
119.79446	1.1
119.95880	1.3
120.05334	5.5
135.04538	6.8
163.04010	58.3
163.29710	1.2
164.04367	3.8
181.05080	15.7
203.03410	1.3
217.46083	1.3
323.13513	1.6
343.10321	100.0
344.10577	10.7
345.10947	4.4
406.79358	1.2
480.17902	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	685.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69258	5.3
59.01390	26.7
61.98825	34.6
62.29161	5.1
69.51082	8.5
69.51488	32.7
71.01387	20.0
73.91194	5.0
78.95947	6.9
89.02450	15.7
93.57770	5.0
99.92567	6.6
101.02450	12.6
101.92839	5.6
106.76858	5.3
113.02458	5.9
119.41758	5.0
130.34923	6.2
133.74738	4.8
135.04514	9.1
145.02951	6.8
161.02405	13.7
171.10408	6.0
200.10841	6.9
231.64949	5.8
235.08134	10.3
243.24040	5.9
251.20151	59.6
397.13547	100.0
398.14163	8.5
415.14502	25.7
436.12097	6.4
649.35059	13.2
685.32043	54.6
686.28070	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	685.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.5
59.77807	1.0
61.24912	1.3
61.98810	2.1
64.04938	1.1
71.01389	2.0
71.65434	0.9
71.65825	1.3
72.99318	2.2
94.62667	1.0
101.02458	1.2
101.17384	1.1
109.02969	3.0
111.13978	0.9
121.02943	1.3
129.47008	1.0
133.02956	2.9
135.04539	6.4
140.28769	1.0
145.02937	1.2
149.02419	1.2
150.34421	1.0
159.82973	1.1
161.02455	10.1
179.03462	3.5
197.02209	7.7
197.04521	1.4
213.84175	1.1
250.06349	1.1
267.06647	7.7
268.06726	1.6
283.06070	1.4
311.05542	4.7
319.22672	1.7
329.01950	1.2
359.07681	1.1
427.32230	1.1
469.33176	8.9
470.33926	1.7
487.34274	100.0
488.34573	18.3
541.67761	1.2
649.39740	1.1
653.26111	1.9
685.37402	25.9
686.37567	6.5
710.90485	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	685.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
61.98822	2.7
68.39854	0.8
69.48736	1.4
69.49155	4.7
71.01376	3.0
72.99315	1.9
85.02963	2.2
86.92522	0.7
93.03466	1.0
95.31131	0.7
96.96008	2.7
101.02442	3.2
109.02979	1.3
113.02466	1.2
119.05019	1.1
122.06069	0.9
133.02950	3.6
134.06139	2.0
135.04538	5.0
137.02461	0.8
145.03009	1.0
152.07129	0.8
161.02441	11.3
161.04501	1.1
162.02806	1.3
163.03999	0.9
179.03442	4.4
197.02214	7.6
197.04192	1.2
198.02614	0.9
201.11394	1.3
235.20598	0.8
267.06555	1.3
295.05820	0.9
308.30612	0.8
311.05609	1.6
359.07874	2.3
407.33221	3.4
423.32837	2.0
425.34320	8.0
426.34570	2.1
441.33762	2.5
457.33218	1.6
469.33237	5.7
485.32770	6.3
486.33249	1.5
487.34280	100.0
488.34561	18.8
488.41541	1.0
529.35010	1.2
649.39075	1.2
653.25427	1.4
685.37256	27.5
686.37671	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	685.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59583	0.6
59.00951	1.7
59.01383	57.5
69.89282	0.5
72.99349	1.3
80.05116	1.1
83.18758	0.5
94.06647	1.2
105.05907	1.8
106.06634	10.7
107.03767	3.8
108.04578	1.0
120.04645	0.8
120.08197	30.0
121.05396	0.7
121.08578	1.1
122.06122	57.0
123.04572	0.6
123.06544	2.2
124.07736	0.6
129.15300	0.5
130.06686	1.2
132.04639	2.1
133.03026	1.8
134.06122	66.7
135.04544	2.9
135.06505	2.8
136.07736	1.9
137.04868	1.0
142.28458	0.5
146.06126	0.9
148.04109	0.8
148.07755	1.5
149.02524	0.9
150.05643	0.7
150.29686	0.6
150.78563	0.5
152.07167	5.1
158.02446	1.2
158.06168	1.3
160.04128	1.8
160.07649	0.5
161.02448	5.2
161.04785	0.9
162.05695	0.8
164.07228	1.5
172.07764	1.0
174.05644	1.9
174.09299	0.8
179.03551	1.3
186.05728	0.6
190.05141	2.5
194.08234	2.7
197.04623	0.8
200.07268	1.3
206.08572	0.6
208.10037	1.0
210.08061	1.6
211.08856	0.7
211.12488	1.6
221.07175	0.7
221.10811	2.6
222.08038	1.6
223.08806	5.4
223.12416	0.9
224.09415	2.7
225.10217	2.7
227.12029	2.0
229.90558	0.6
233.10860	0.6
234.08096	1.0
235.08827	3.2
235.12471	2.2
236.09521	4.4
237.10318	9.1
237.13974	0.6
238.11041	4.6
239.08313	0.7
239.11850	8.4
241.13518	1.6
243.14903	0.9
247.08658	1.0
247.12595	1.0
248.09604	1.2
249.06750	2.2
249.10292	9.6
249.14240	0.8
250.07462	2.0
250.11058	1.8
251.08319	3.6
251.11877	18.0
252.06255	0.6
252.09042	0.6
252.12267	2.5
253.13599	1.0
261.10367	1.1
261.13824	0.8
262.07593	2.2
263.08209	7.8
263.11581	3.0
264.09012	11.6
264.12439	1.1
265.09869	6.6
265.13492	2.2
266.10565	1.5
267.06729	1.1
267.11414	1.4
268.08578	1.3
269.12878	0.9
271.10980	1.7
275.08356	1.6
276.08960	4.0
277.09821	13.6
277.13150	0.7
278.10590	9.4
279.11380	41.5
280.11798	5.1
281.13034	1.7
283.10901	1.1
287.14114	3.3
289.09818	1.5
290.10678	1.9
291.08099	0.7
291.11392	16.6
292.12009	5.0
293.09570	0.8
293.12994	2.0
294.10367	0.9
294.13565	0.8
295.10861	3.1
303.11365	0.7
305.09375	6.8
305.13055	4.8
306.09866	1.6
306.13174	0.7
307.10773	3.5
308.11530	0.8
308.27353	0.5
309.12497	0.7
311.05676	1.5
311.10580	0.6
311.14047	1.3
322.09695	0.9
323.10385	6.2
324.11105	3.5
325.11920	0.8
328.14581	1.2
337.11975	3.0
340.11011	0.7
341.11719	0.7
342.16254	2.8
343.16754	0.9
354.12442	1.3
354.16235	0.8
355.12991	3.8
356.13861	2.1
356.17783	2.1
358.19229	2.7
360.17200	2.4
365.11261	3.1
366.11960	0.6
367.13123	2.1
368.13925	1.8
369.14847	1.8
370.15567	7.5
370.19843	0.9
371.16245	4.0
372.17090	1.1
382.19397	1.3
384.17163	16.1
385.17899	5.0
386.18863	10.2
387.19513	1.1
396.13254	0.9
397.14102	1.7
398.14877	1.8
398.19269	5.2
399.15079	0.7
399.19400	3.2
402.18320	2.8
403.18848	0.9
408.17032	0.7
410.14996	1.3
411.15988	2.0
412.16522	3.8
414.18219	1.8
424.16577	1.0
425.17435	1.9
426.18240	15.9
427.18814	4.3
428.15784	1.0
429.16519	0.8
430.17664	7.2
431.18332	1.9
443.18457	1.2
444.19260	14.5
445.19586	2.7
446.16891	0.6
452.16019	1.8
453.16931	1.7
456.15741	1.0
458.21301	1.1
470.17218	3.4
471.17859	5.7
472.18695	1.1
478.20251	0.7
486.20322	14.3
487.21124	3.4
487.34323	2.0
488.18286	0.7
489.18726	1.8
490.19794	8.8
491.20456	1.8
502.19879	5.1
503.20435	1.6
505.25916	1.3
507.23917	1.4
509.11075	2.9
530.19287	41.1
531.19946	25.5
531.28253	0.8
532.20575	2.9
547.23395	0.7
549.25189	8.1
550.25214	2.1
562.21906	62.1
563.22412	13.4
567.26111	5.4
568.26331	0.7
575.23004	0.9
581.27496	0.6
593.24042	17.1
594.24420	4.4
595.21802	0.7
609.27136	34.2
610.27441	6.9
611.25122	1.4
612.25446	0.9
625.26581	2.0
634.31543	0.6
635.24988	1.0
641.29718	0.9
653.26147	100.0
654.26428	24.7
685.28723	29.7
686.28864	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	685.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.6
60.43014	0.6
61.98836	9.7
62.03322	0.5
71.01382	1.5
72.99314	25.4
79.73462	0.5
85.02966	0.7
89.02457	1.1
89.03976	1.3
93.03464	1.1
95.05027	0.8
96.95988	1.2
98.19866	1.0
101.02438	0.7
104.02618	0.6
108.02234	0.6
109.02954	5.7
113.02435	0.7
116.92876	1.0
117.03461	5.1
119.05025	1.1
121.02976	3.6
122.06104	1.8
123.04529	9.5
132.02185	2.5
132.86739	0.5
133.02962	30.0
134.03658	2.0
134.06136	2.0
135.04532	46.8
136.04868	1.7
137.02423	1.1
139.04015	1.3
145.02960	1.6
147.00867	0.7
149.01256	0.8
149.02443	12.3
149.06076	0.7
150.03242	3.6
151.04008	2.7
159.04517	0.9
160.01666	7.9
161.02448	100.0
162.02771	5.2
163.04070	0.9
170.31081	0.5
173.02364	0.7
174.03233	1.6
175.04002	10.7
179.03500	27.6
180.03799	1.4
193.05002	1.0
196.05205	0.6
197.04550	37.0
198.04881	1.7
201.02092	0.8
205.01445	1.0
209.58580	0.7
211.07697	1.0
213.10408	0.7
221.06143	1.6
224.04803	0.6
235.08342	0.5
237.05623	1.6
239.07161	2.1
239.11922	0.6
249.05588	1.5
250.06381	1.1
253.05084	0.6
254.05673	0.9
255.06665	1.7
265.05087	1.0
266.05811	5.1
267.06604	15.2
268.06976	1.8
279.11304	0.6
281.08215	5.7
283.06174	4.7
285.12534	1.3
286.12817	1.5
293.04541	0.8
295.11087	0.6
297.07761	0.8
311.05624	28.9
312.06110	2.2
313.07260	1.0
325.07086	5.9
329.06659	33.5
330.07080	2.3
347.07626	3.0
347.11603	0.6
359.07727	12.1
360.08008	1.5
373.09219	4.7
428.67743	0.7
491.09830	5.4
492.10434	0.9
509.10938	33.2
510.10962	4.8
523.12579	5.9
530.19769	0.6
561.99841	0.6
608.26495	0.8
609.26581	1.3
641.33423	1.0
652.24487	1.5
653.25665	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	683.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.8
59.01375	4.9
61.98835	20.0
69.39084	10.3
69.39494	3.8
71.01391	4.2
73.02955	2.0
78.95941	2.8
85.02981	2.6
87.00879	2.5
95.04984	2.5
96.85278	1.4
97.06595	16.3
101.02463	4.0
113.02444	3.5
123.08172	10.6
125.09730	89.1
126.10042	2.4
161.04533	2.1
169.08641	2.9
187.09750	37.6
188.10139	1.8
235.08174	2.5
253.09312	3.2
255.23456	2.0
277.21710	47.6
278.21982	6.6
285.12454	2.3
405.17529	6.0
423.18668	6.0
667.88092	1.8
683.40076	100.0
684.40411	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	685.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
60.01698	0.3
60.96631	0.2
61.98836	0.6
63.16676	0.2
71.01390	0.5
71.02366	0.4
72.99310	13.7
85.02955	0.2
89.02447	0.3
93.03443	0.3
96.95969	0.3
105.03474	0.4
106.06628	0.4
107.05067	0.2
109.02950	1.2
120.08176	0.6
121.02944	0.5
122.06148	1.3
123.04519	6.0
126.91462	0.2
132.02176	1.2
133.02957	19.4
134.03677	1.0
134.06099	1.6
135.04527	20.5
136.04875	1.1
137.02432	0.4
145.02943	0.5
149.02458	2.8
149.04442	0.2
150.03204	0.7
151.04008	1.0
159.04507	0.3
160.01665	0.6
161.02444	100.0
162.02779	5.1
163.03996	0.3
175.04008	1.0
177.01933	0.6
179.03502	14.9
180.03862	0.7
180.20728	0.2
197.04555	19.4
198.04860	0.8
213.10368	0.6
214.10568	0.6
221.04521	0.3
223.02470	0.4
237.05556	0.3
239.11884	0.4
240.12306	0.4
241.13550	0.3
243.08913	0.2
251.11902	0.4
266.05713	0.3
267.06708	0.6
279.11450	0.5
281.08264	0.4
285.12460	1.5
286.12842	1.3
305.09482	0.3
311.05807	1.1
311.09583	0.2
312.89966	0.3
313.07150	0.8
325.07187	0.4
341.06808	0.3
357.06161	0.3
359.07727	41.8
360.08066	3.9
373.09213	3.2
384.13229	0.3
386.18784	0.3
397.14282	0.3
398.14905	0.3
426.18073	0.4
487.34134	0.4
491.09232	0.2
504.34302	0.4
505.34772	0.2
538.34839	0.2
548.24231	0.4
549.24152	0.3
562.21790	0.7
593.22833	0.5
608.26276	1.3
609.26465	1.3
639.28650	0.3
649.39630	0.5
652.25085	0.9
653.25543	2.6
655.16272	0.2
681.57080	0.2
685.28497	1.1
685.39447	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	683.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72277	1.0
59.01091	2.4
59.01380	44.6
61.98829	5.6
69.01299	1.0
69.92101	1.0
70.56863	1.0
70.93864	3.2
71.01392	1.3
102.59084	1.2
105.99694	1.5
106.06635	8.2
107.03746	3.5
120.04562	1.2
121.02954	6.5
122.06124	36.8
123.06438	1.6
132.04536	1.9
134.06119	53.7
135.04514	3.3
135.06479	3.0
146.06175	1.2
148.57170	1.3
150.06866	1.5
152.07114	2.6
158.06172	1.3
161.02409	4.8
161.04790	1.2
179.03403	2.0
190.05067	1.9
209.04558	4.3
211.12343	1.3
213.10265	3.5
235.08647	1.8
235.12399	2.3
237.10339	7.1
239.11868	3.0
241.13498	3.5
246.00912	1.3
247.08705	1.6
249.10289	9.4
250.10776	2.3
257.12909	1.2
261.10352	2.1
262.07404	3.8
263.08194	2.5
263.11826	2.0
265.10025	1.2
275.08212	1.8
276.08984	2.0
277.09830	10.0
277.21713	1.3
278.10373	3.7
279.11359	2.4
285.12439	7.0
289.09918	5.8
290.10422	2.6
291.11252	2.1
293.12961	1.9
303.11404	2.7
305.09085	1.8
309.12430	9.8
321.12418	1.7
332.17383	1.4
335.13809	1.4
337.11954	4.2
340.14563	1.8
356.14044	1.2
356.17706	8.9
357.18207	1.3
358.15720	3.0
365.11368	1.6
366.12256	1.3
368.14005	1.7
370.15631	2.2
381.14716	2.2
382.15604	3.7
383.16202	1.3
384.13083	1.4
384.17203	10.8
385.17368	2.5
396.16998	5.5
397.13812	2.3
400.16632	3.2
409.14178	1.5
424.16748	11.3
425.17108	2.2
444.18771	2.5
456.19281	27.6
457.19638	5.3
479.37180	1.4
484.18878	2.2
487.30484	5.4
500.91373	1.4
505.22595	4.7
516.21368	100.0
517.21948	15.5
547.23431	15.9
548.23975	3.1
565.24536	3.1
579.26068	20.1
579.39453	1.4
580.26129	3.4
591.22778	1.3
597.27148	2.9
607.25568	15.2
608.26263	3.5
623.40192	1.6
639.28198	32.2
640.28528	8.1
651.24243	9.5
652.24750	2.3
683.34558	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	683.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08031	0.6
59.01379	45.6
62.36999	0.6
66.53703	0.7
70.93438	1.5
80.05056	4.7
92.05084	0.9
94.06648	1.4
104.05080	2.6
106.06622	9.0
107.03828	0.8
108.04571	1.0
119.56023	0.7
120.04552	1.8
120.08189	3.1
121.05323	4.1
122.06121	22.0
130.06577	1.1
132.04530	1.8
134.06117	39.3
135.06468	1.5
136.07664	1.0
146.06134	3.0
148.04068	1.3
148.07677	1.0
152.07153	2.3
158.02463	1.1
159.05612	1.1
160.04034	2.8
160.06400	9.8
161.04788	0.8
162.05592	0.9
174.05573	4.7
186.05627	1.2
187.06477	0.7
188.06911	0.6
190.05067	2.1
194.08258	0.9
194.53821	0.7
197.07199	1.5
198.07858	0.6
200.07057	0.9
211.08627	1.4
213.10324	47.6
214.10603	3.4
214.12434	1.1
223.08755	2.3
224.09399	0.9
225.10240	3.8
226.11089	4.3
227.11830	5.1
233.07162	1.0
235.08775	1.9
236.09508	0.8
237.06773	0.8
237.10303	1.8
239.11873	23.0
240.12180	2.3
241.13438	24.0
242.13774	1.6
249.10275	2.5
251.11940	5.6
252.12431	1.1
253.13458	1.4
258.09796	0.8
263.08234	2.1
263.11682	0.9
264.09180	1.0
265.09943	1.1
267.11444	2.2
277.06842	1.3
277.09747	10.2
278.07239	0.6
278.10486	1.8
279.11310	1.4
285.12427	100.0
286.12750	8.2
287.14035	2.7
291.07864	1.0
291.11005	0.9
292.08484	1.3
293.09421	1.9
293.12888	13.3
294.13257	1.2
295.10916	5.3
305.09390	7.4
306.09894	2.2
307.10791	5.2
309.12305	1.3
314.13245	1.1
316.14520	2.4
319.10590	0.8
321.08875	1.0
321.12360	0.9
327.09976	0.9
328.10938	3.3
328.14432	1.2
330.12454	1.3
330.16058	1.0
332.17615	1.7
332.49619	0.8
337.11987	4.1
340.14545	1.8
342.12244	3.2
343.13229	4.2
344.13892	1.8
344.17667	1.5
354.12335	1.4
355.12976	6.2
356.13913	3.6
356.17810	0.9
357.14761	4.5
358.15582	22.6
359.15991	2.9
365.11365	10.7
366.11984	1.9
367.12854	2.7
368.13861	1.3
368.17859	1.0
369.14636	3.1
370.11740	2.7
370.15567	2.7
371.16275	1.4
372.17120	1.0
382.15631	1.8
383.12442	1.1
384.13333	6.1
385.13901	3.1
396.13718	1.1
397.14059	7.7
398.14532	3.1
399.15756	2.2
400.16663	16.2
401.16956	2.4
412.16751	7.1
444.15601	0.8
475.17941	1.3
476.18408	1.5
477.23010	0.8
479.24655	2.4
489.19351	1.5
490.20044	2.0
491.20383	3.3
492.20956	0.9
503.24472	1.9
505.22552	6.1
506.23285	1.9
519.23462	1.1
539.26440	3.3
540.26660	1.3
547.23505	23.6
548.23724	5.7
563.26410	0.8
565.24457	18.7
566.25012	4.1
573.21356	0.9
579.25958	1.4
583.25751	1.3
583.74445	0.7
591.22418	15.3
592.22900	3.0
607.25592	90.1
608.25861	20.1
609.23401	1.1
610.24103	3.6
611.25195	1.1
623.25153	2.9
651.24567	97.0
652.24890	24.2
683.27130	16.5
684.27411	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	683.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36121	0.6
55.01859	0.6
57.03421	0.8
58.00599	1.8
59.01381	42.1
61.60918	0.7
64.25301	0.6
65.14971	0.6
71.01386	36.1
71.61665	0.7
72.99305	2.6
73.02927	0.7
75.00842	0.7
83.01380	1.8
85.02952	5.8
87.00882	2.2
89.02447	42.9
90.76585	0.7
95.01395	1.9
101.02442	18.8
110.89899	0.6
113.02452	13.5
116.90959	0.6
119.03503	15.3
119.04926	0.6
124.69842	0.6
126.65454	0.6
131.03520	2.0
135.04517	2.5
143.03510	2.7
149.04567	1.2
161.02473	1.0
161.04510	6.1
163.03955	1.6
179.03760	0.9
179.05609	18.9
181.05026	9.0
189.04906	0.7
260.50858	0.8
267.07224	2.4
340.09219	1.4
341.10898	100.0
342.11319	7.6
599.40881	0.9
631.32593	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	683.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42595	0.5
57.69129	0.4
59.01391	2.9
59.65680	0.5
71.01386	2.1
71.65690	0.5
72.99305	4.0
73.02957	2.9
75.00874	12.7
76.47525	0.5
86.61520	0.6
87.00880	5.1
89.02452	3.2
89.53668	0.5
93.03479	0.7
101.02431	0.5
109.02956	12.3
110.14575	0.5
117.01949	8.7
117.03407	0.5
119.05033	41.6
120.05367	2.0
123.04557	3.2
131.05054	0.6
131.07118	1.0
133.02963	2.0
134.03745	0.7
135.03008	48.1
135.04509	11.7
136.03317	1.1
136.04892	0.6
145.02946	2.2
147.04520	1.2
153.05589	3.0
159.04526	4.4
161.02437	5.7
163.04012	100.0
164.04337	4.8
175.04001	0.6
179.03482	5.4
179.34753	0.4
180.03966	0.5
193.05048	1.0
197.04538	4.5
200.99631	1.7
203.03484	2.3
247.02364	0.5
255.06708	0.5
267.64163	0.5
269.08231	3.1
270.08542	0.8
281.06677	27.0
282.07001	2.0
293.12393	2.2
313.07111	2.9
314.07425	0.5
319.02322	1.8
341.08823	1.2
357.06155	7.2
358.06473	1.5
359.10324	3.2
401.10190	0.8
521.12946	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	683.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07503	0.2
51.61407	0.2
59.01366	0.8
61.98844	0.6
69.54246	1.5
71.01393	0.9
71.75905	0.2
72.99316	3.2
75.00880	0.7
85.02950	0.4
88.98826	0.4
89.03980	1.0
93.03471	0.4
98.19916	0.2
101.02446	0.5
107.05020	0.9
109.02965	0.7
113.02448	0.5
117.03474	5.2
122.03769	0.3
123.04520	1.6
129.27905	0.3
132.02155	1.1
133.02965	9.0
134.03792	2.1
135.04530	100.0
136.04869	4.0
137.02463	0.4
145.02972	0.4
146.03754	0.5
147.04526	0.8
147.67908	0.2
149.06093	0.4
151.04106	0.4
159.04527	0.3
160.01685	0.9
161.02451	37.7
162.02805	2.1
163.03943	0.3
163.34308	0.2
175.03932	0.4
177.05530	0.9
178.02817	0.3
179.03514	6.3
180.03842	0.3
197.04543	2.3
205.01457	1.8
221.04492	0.9
229.01558	0.4
265.04898	0.3
266.05835	0.7
267.06506	0.3
279.08893	0.3
293.04376	0.3
294.05322	0.5
309.03671	0.2
309.07693	0.4
323.07721	8.3
324.08017	0.6
353.06601	1.1
359.07718	3.8
360.08218	0.5
383.07733	0.5
428.38925	0.2
459.12976	2.0
485.10898	35.0
486.11182	4.8
517.13739	0.5
521.13062	0.9
617.87378	0.3
639.36328	0.4
683.15521	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	683.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05078	0.4
59.01390	0.6
61.04325	0.5
69.86581	2.3
71.01364	0.5
72.99312	21.0
85.02982	0.5
95.05040	0.8
101.02486	0.6
107.05035	1.1
109.02984	0.8
113.02408	0.6
119.11726	0.5
123.04514	6.4
133.02963	9.3
134.03763	3.0
135.04527	100.0
136.04883	5.4
151.03996	2.0
161.02446	40.7
162.02791	1.8
163.03894	0.6
176.14319	0.4
179.03505	33.0
180.03891	1.5
197.04559	41.6
198.04909	1.5
214.45126	0.5
221.04672	0.5
241.19202	0.5
297.09863	1.1
307.91721	0.5
341.08881	4.6
351.05862	0.7
359.10214	42.3
360.10532	3.2
521.12988	48.0
522.13446	6.1
674.89142	0.6
683.18384	3.9
684.18475	0.6
697.22900	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	682.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44967	0.1
59.01382	2.4
61.01815	0.1
61.98829	100.0
69.26851	0.2
69.27248	1.3
71.01375	0.7
73.02944	0.2
73.83463	0.2
83.01361	0.2
85.02945	0.3
98.43585	0.1
101.02446	0.7
102.02748	0.2
106.60132	0.1
113.02476	0.3
116.88232	0.2
123.84333	0.1
128.32928	0.1
133.02904	0.1
135.04559	0.3
161.02409	0.3
161.04564	0.3
179.03522	0.2
204.63426	0.2
249.18651	0.2
397.13651	0.6
442.66977	0.2
450.78342	0.1
459.33890	0.2
460.34204	0.2
545.34808	0.2
607.25995	0.2
620.39166	0.2
621.39441	0.5
622.39618	1.8
651.23444	0.2
657.86188	0.2
678.78326	0.2
683.30573	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	683.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.98832	1.3
70.16828	2.5
71.01375	1.4
72.99316	8.8
75.00885	1.2
88.98789	0.7
98.20602	0.8
109.02952	1.4
117.03424	0.6
117.16523	0.8
118.56549	0.6
123.04517	3.6
123.94493	0.7
132.02173	0.9
133.02956	24.8
134.03783	3.3
135.04526	87.0
136.04849	3.7
145.03001	0.8
151.04028	0.8
161.02446	100.0
162.02827	4.9
167.96040	0.6
177.01913	0.8
177.05521	1.5
179.03499	76.4
180.03812	3.4
181.89531	0.6
197.04547	11.3
203.03470	1.0
204.55743	0.7
208.72209	0.7
221.04501	1.8
311.05655	0.9
323.07712	29.2
324.08011	1.8
328.49579	0.8
341.08789	2.1
349.47668	0.8
359.07700	13.5
360.08069	1.3
447.62347	0.7
459.15210	1.1
485.11072	4.5
503.11938	33.6
504.12302	6.0
521.12512	0.9
683.16064	19.7
683.27386	1.2
684.16431	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	681.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
58.00586	2.5
59.01381	41.6
61.98824	0.9
69.03448	2.6
71.01382	36.9
71.17852	1.4
71.18198	0.7
72.05259	0.7
72.99307	3.7
73.02942	6.9
75.00877	1.1
80.96523	0.8
81.03480	1.3
83.01405	4.1
85.02954	9.3
87.00877	10.6
89.02445	34.2
95.01386	2.5
97.02945	7.2
99.00876	2.7
99.04498	0.7
101.02444	34.4
103.00408	0.9
111.00847	0.8
111.04523	1.2
113.02447	16.9
115.03997	0.9
115.92123	0.9
119.03503	11.1
123.04536	1.0
125.02443	14.9
127.03980	0.9
131.03491	1.7
133.05025	1.2
139.04044	0.9
143.03476	7.0
149.04593	1.4
161.04575	7.1
167.03482	0.7
169.43872	0.8
170.33606	0.7
179.05588	6.0
199.06169	0.9
209.11790	1.0
221.06711	2.7
235.08237	12.7
253.09366	3.4
253.21739	2.4
263.07721	1.2
277.21747	2.0
283.26425	100.0
284.26727	9.5
287.07715	3.7
288.78613	0.7
305.08728	4.8
323.09741	1.5
358.09042	0.8
379.12338	1.0
397.13489	89.2
398.13834	8.5
415.14572	32.7
416.14691	3.6
486.97583	0.7
545.64294	0.8
588.12274	0.9
681.40704	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	681.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16668	0.3
59.01382	17.9
61.98820	1.4
70.83657	0.3
71.01388	2.3
72.99314	0.4
73.02956	0.6
81.65301	0.4
83.01408	0.4
83.05027	1.5
85.02942	1.1
99.04533	2.0
101.02448	1.3
105.97193	0.4
111.04488	1.7
113.02466	1.0
121.06672	0.3
123.37798	0.3
125.02474	1.2
133.02931	0.6
134.06102	0.4
135.04530	1.1
136.05295	0.5
137.06064	0.9
144.39713	0.4
149.02452	0.5
149.06070	1.2
149.09732	0.8
150.06865	1.2
161.02423	1.2
162.06866	100.0
163.07231	5.5
167.07034	0.6
173.06061	0.4
176.08403	3.2
177.09207	85.9
178.09547	5.1
179.03392	0.4
191.07071	0.9
191.79465	0.4
260.37338	0.4
274.11542	0.3
443.29895	1.7
459.34714	0.7
461.31314	0.8
487.34274	16.9
488.34637	2.6
503.32230	0.8
603.39044	3.1
604.40186	0.4
621.40143	3.2
622.40259	0.7
639.41071	1.1
648.38159	0.4
663.41260	1.6
681.42499	4.1
682.42377	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	681.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	8.5
61.98819	9.4
63.27347	2.1
71.01375	6.4
71.65999	2.8
78.80954	2.4
80.96513	5.9
88.12722	2.1
88.74768	2.3
89.02451	5.1
97.06619	2.8
99.92564	3.7
101.02448	4.3
116.92823	5.1
147.12376	2.5
151.11324	13.0
161.02428	3.5
169.12350	100.0
170.12631	3.0
172.01880	2.3
195.10390	2.6
213.11298	14.0
225.11287	2.1
228.85023	2.5
249.18625	19.8
445.23492	3.2
449.20175	10.9
580.28809	7.0
681.38525	93.4
682.38843	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	681.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97041	0.6
59.01383	84.1
60.01722	1.1
61.98815	3.5
71.01395	1.0
71.65959	1.2
90.03523	0.8
94.06644	0.9
106.06636	21.0
107.03764	1.1
107.06983	0.6
113.02448	0.9
122.06124	5.7
131.08040	0.7
134.06126	93.8
135.04536	1.3
135.06439	3.7
135.08180	2.4
150.05612	0.6
152.07176	5.5
160.68199	0.7
161.02414	1.0
163.07561	0.7
177.09221	4.7
194.08243	2.4
235.08774	0.9
237.10406	1.2
239.11894	2.1
247.08771	1.4
261.10376	1.0
263.08215	1.1
263.11917	1.5
275.08249	1.3
291.11426	1.0
312.11456	1.1
326.13129	1.9
327.14087	0.7
328.10818	0.8
328.14389	1.0
330.16141	0.8
338.13129	1.2
339.10608	0.9
340.11057	2.7
341.11572	1.1
342.16150	0.9
352.10947	3.0
353.11609	1.1
354.12515	8.4
354.16403	1.3
355.13412	2.8
356.13989	3.3
357.14731	1.2
365.12109	1.7
366.12570	3.4
367.09485	7.5
367.13718	1.5
368.10190	3.8
368.14124	7.0
369.14905	1.5
370.15622	16.5
371.15729	1.5
380.09976	6.0
380.14536	3.3
381.10834	2.1
381.15158	2.4
382.11563	14.4
382.16541	5.7
383.12518	14.7
384.13052	2.0
392.14185	1.8
393.11047	1.4
394.11771	8.3
395.12421	5.7
396.13199	8.2
397.14139	2.6
398.15088	52.9
399.15561	6.0
408.13602	4.0
409.14249	4.0
410.15079	26.2
411.15643	6.7
413.13785	0.8
422.15393	0.9
424.16870	7.1
425.16882	1.3
429.16965	2.0
430.17749	10.2
431.18192	1.2
442.18378	0.7
443.14871	1.1
471.14490	1.0
473.20389	0.7
485.32831	1.1
486.33228	2.2
487.18100	3.8
487.33908	1.3
488.18140	1.1
489.23621	0.9
501.19904	6.2
502.19904	4.3
503.20758	2.7
504.21484	1.8
515.16498	3.1
516.17664	1.4
517.22595	8.7
518.22723	2.2
529.18909	3.8
530.19318	3.8
545.21973	49.0
546.22119	9.8
562.22424	1.0
563.23071	5.6
564.23663	2.0
577.24591	29.8
578.24591	3.5
589.21106	4.1
590.21222	1.3
605.24066	90.2
606.24420	19.4
609.24261	1.2
621.23541	2.8
621.39874	1.1
637.26648	38.2
638.26953	6.9
649.23029	100.0
650.23352	20.5
681.25610	35.3
682.25977	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	681.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98830	3.0
71.01371	0.5
72.99307	2.3
73.02921	0.2
88.98811	0.3
90.97901	0.2
93.03502	0.5
96.96001	0.3
98.20619	0.5
105.03478	0.3
105.86864	0.2
107.05029	0.7
108.22828	0.2
109.02960	0.3
113.02454	0.3
117.03474	0.7
119.05025	11.0
119.80902	0.2
120.05383	0.4
123.04530	0.7
132.02162	1.4
133.02959	19.6
134.03790	2.4
135.04524	42.3
136.01591	0.3
136.04837	1.8
137.02425	0.3
145.02942	2.2
147.04547	0.3
156.88156	0.2
160.01649	1.7
161.02441	100.0
162.02777	4.9
163.04007	7.2
164.04346	0.3
175.04004	1.8
179.03494	40.6
180.03828	1.9
181.05060	16.0
182.05392	0.6
183.78342	0.2
193.05042	0.7
197.04581	1.1
307.08200	1.0
323.07846	0.7
337.09378	1.4
343.08203	22.8
344.08490	2.1
357.09778	0.9
372.74493	0.2
499.12555	0.6
505.13449	2.0
506.13812	0.4
517.13531	4.0
517.20685	0.2
518.13733	0.5
518.21002	0.7
518.31580	0.6
519.32361	0.3
535.14496	0.7
681.18073	2.0
682.18433	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	681.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
61.98819	1.1
69.95034	0.3
71.01373	0.8
71.64568	0.5
72.99308	2.3
73.02929	0.3
75.00873	0.6
78.74847	0.3
85.02963	0.6
89.62902	0.3
93.03466	1.8
101.02473	0.6
105.03481	0.3
109.02949	0.4
113.02476	0.5
116.92839	0.3
117.03486	2.4
117.04202	0.4
119.05029	28.2
120.05374	0.7
123.04504	0.5
131.70581	0.3
132.02159	3.9
133.02954	23.9
134.03773	5.7
135.04526	24.6
136.04878	1.2
137.02412	1.3
145.02948	2.4
149.06102	0.7
151.04099	0.7
160.00400	0.7
160.01662	8.4
161.02443	100.0
162.02788	4.9
163.04002	19.3
164.04372	0.7
175.04002	10.8
176.04463	0.5
177.05431	0.3
179.03490	12.0
180.03873	0.9
181.05063	11.1
182.05409	0.6
193.05087	4.1
197.04385	0.4
229.02992	0.4
281.06686	0.9
296.06836	0.4
305.06586	0.4
309.07501	0.5
323.07809	3.2
337.09265	6.2
338.09540	0.6
339.12207	0.4
341.08749	0.4
343.08170	11.4
344.08594	1.3
473.14377	1.8
474.14996	0.4
498.16806	0.6
499.12442	31.9
500.12695	4.0
501.14056	0.5
505.13617	0.7
517.13464	2.3
519.15063	6.8
520.15582	1.2
535.14246	0.4
542.15839	0.6
574.18518	0.9
681.18762	1.4
681.29059	3.2
682.28809	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	681.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31686	3.0
59.01384	98.7
61.98820	10.2
63.89814	2.9
65.79675	3.0
70.40504	10.9
71.01372	4.0
72.99324	8.1
78.95901	3.8
79.65230	3.2
98.20573	3.7
101.02454	3.9
101.98718	3.0
106.06608	17.3
133.02959	4.2
134.06137	56.1
134.22928	3.9
135.04492	7.4
150.95259	3.3
152.07162	3.3
161.02429	13.2
179.03490	4.1
198.38527	3.1
225.10217	6.8
227.11819	4.0
237.10304	4.6
239.11899	56.6
247.08636	7.8
249.10327	5.2
263.11865	14.0
283.10895	3.6
291.11380	14.6
293.09222	3.9
314.13086	3.2
323.14038	26.5
327.73730	3.6
328.14584	5.4
330.16129	35.7
337.12076	3.7
342.15942	3.9
353.11728	4.9
354.12253	5.5
354.16080	28.8
355.16632	5.9
356.13791	6.6
356.17706	7.5
367.13425	5.8
368.13992	8.5
370.15738	5.8
382.11661	5.6
382.15924	5.3
396.13422	5.3
397.13873	8.3
398.15048	39.6
399.15372	3.8
410.14960	15.0
411.15512	3.5
424.16824	3.9
430.17691	7.5
449.23404	9.5
475.20996	4.0
477.22934	12.2
488.18118	3.8
503.20984	50.8
504.21317	9.1
517.22510	5.3
537.25104	29.7
538.25537	6.6
545.21802	44.2
546.21924	6.3
563.22937	34.7
564.23834	8.6
577.24689	33.4
578.24786	7.5
595.25775	4.2
605.24084	98.4
606.24365	21.3
637.26678	100.0
638.26715	21.6
649.23126	21.6
650.23535	5.2
677.60461	3.9
681.25287	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	680.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34963	0.4
59.01388	7.9
60.99303	0.6
61.98833	100.0
72.99303	0.5
73.02964	0.7
75.00878	1.7
75.86472	0.5
78.95926	0.7
90.56149	0.5
101.02471	0.9
135.04578	0.7
161.02458	0.9
181.10243	0.5
264.08606	0.5
279.84027	0.5
327.42389	0.6
359.23877	1.2
371.27869	0.5
375.27045	1.7
377.25146	0.7
433.27933	2.4
435.25607	1.9
439.28806	0.7
450.27722	4.0
451.28510	23.9
452.28851	4.8
453.26242	2.4
454.27014	0.6
468.29160	1.7
469.29608	21.6
470.29895	5.0
488.34985	1.0
495.27411	0.6
513.28589	56.3
514.28979	11.2
514.35950	0.7
518.32092	2.3
531.29620	18.1
532.30011	3.0
573.30762	5.4
574.31543	1.0
586.75226	0.5
600.67963	0.5
680.38733	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	680.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18091	1.4
54.42215	1.2
58.22351	1.3
59.01381	3.1
60.29841	1.4
61.98832	100.0
71.01395	2.7
80.96506	2.2
89.02432	2.2
101.02483	2.5
117.91928	1.3
122.13767	1.5
125.02429	1.5
141.86819	1.7
161.10168	1.4
170.86253	1.4
281.78674	1.3
283.26413	7.7
304.77725	1.5
325.18665	1.9
397.13550	7.8
415.14401	3.4
680.14777	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	679.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43325	0.4
59.01380	100.0
60.01715	1.1
61.98836	1.7
71.01391	1.1
71.62753	0.5
72.99323	1.1
86.63922	0.4
99.71801	0.4
101.02442	0.6
113.02485	0.7
125.79008	0.5
130.49988	0.4
132.02213	1.9
133.02982	1.4
134.03781	0.6
135.04553	1.2
157.48479	0.4
160.01672	7.6
161.02481	2.2
162.06860	1.1
163.07623	0.7
175.03998	9.2
179.03531	0.7
193.05081	0.5
232.12721	0.4
294.76343	0.4
309.63855	0.5
383.17615	0.5
431.31689	0.6
457.97214	0.5
475.34332	0.8
487.34695	1.0
490.85696	0.5
637.43115	0.5
679.38440	9.9
679.49353	0.6
680.38641	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	679.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
58.00590	2.0
59.01380	40.7
61.98817	5.3
66.77464	0.9
67.38071	1.1
69.03447	3.5
69.54825	2.2
69.55231	5.7
71.01385	34.8
72.99306	2.8
73.02960	4.9
78.95899	0.9
79.95704	1.3
80.96500	6.7
81.03453	1.7
83.01383	4.3
85.02962	7.1
87.00874	9.3
87.35647	0.9
89.01896	2.0
89.02440	30.0
95.01395	2.6
97.02950	4.9
99.00878	3.1
99.92584	4.5
101.02440	27.3
105.36144	1.0
113.02449	15.3
115.08035	1.0
115.92083	9.5
116.92860	9.3
119.03500	11.2
125.02444	13.2
131.03511	2.4
139.03960	1.1
143.03502	6.2
149.04530	1.3
152.98607	1.9
161.02414	1.3
161.04573	6.8
179.03424	1.8
179.05635	7.6
185.04507	1.1
214.01337	0.9
221.06633	3.0
225.00751	1.9
235.08212	12.6
248.40138	0.9
253.09216	3.6
263.07755	1.7
279.23352	1.6
281.24844	100.0
282.25186	9.6
287.07718	3.1
288.07928	1.0
305.08618	2.4
323.09720	1.7
397.13495	83.8
398.13763	6.2
415.14526	32.2
416.14789	2.7
544.60767	0.9
579.28986	5.6
643.18408	1.7
677.94312	0.9
679.20898	4.3
680.21674	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	679.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
57.03441	2.0
58.00578	1.1
59.01379	100.0
60.01702	3.3
61.98829	14.4
71.01380	37.5
71.62640	1.0
72.99309	4.2
73.02937	16.5
78.95892	1.1
83.01389	10.0
85.02950	19.6
87.00892	1.8
89.02448	5.6
95.01404	3.8
99.00915	5.8
101.02441	49.5
102.02785	2.3
113.02444	17.2
116.92899	1.1
121.03023	1.2
123.04481	1.2
125.02451	2.1
133.02979	6.2
134.03673	1.3
135.04498	4.9
138.15599	1.1
143.03500	3.4
145.02950	1.1
149.02431	2.2
151.04022	1.6
159.02954	3.3
159.04301	1.2
161.02478	14.2
161.04550	24.2
162.02794	1.9
162.06854	3.2
176.31169	1.0
177.09152	1.5
179.03441	4.9
205.03453	1.5
267.06674	1.7
304.36478	1.1
394.89182	1.4
457.33218	31.1
458.33636	3.9
473.32468	1.3
474.33087	1.7
475.33594	3.3
619.38458	92.8
620.38898	20.5
637.39148	3.6
679.39447	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	679.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96198	1.0
59.01381	28.2
59.20237	1.1
61.44894	0.9
61.98822	4.0
66.62209	1.1
71.01379	2.1
71.65600	1.2
72.99317	2.2
85.02945	1.0
113.02442	1.0
116.84592	1.0
117.03446	2.8
118.05099	1.4
126.02162	1.1
132.02158	14.5
132.96910	1.1
133.03004	10.3
134.03754	21.8
135.04541	3.1
149.06093	3.3
160.01659	75.8
161.02438	10.2
162.06912	1.3
175.04013	88.5
176.04353	4.7
177.01915	2.0
178.02650	2.1
179.03499	2.9
193.05060	20.6
237.99451	1.0
282.45996	1.3
455.31421	1.4
475.34210	1.5
591.35925	1.1
600.79730	1.3
617.38513	6.9
619.40271	1.2
661.37250	3.1
679.38477	100.0
679.99084	1.5
680.38879	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	679.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17663	0.7
57.03441	2.2
58.00579	0.8
59.01379	13.7
61.98831	5.1
71.01381	10.9
71.12061	1.7
72.86750	0.7
72.99290	4.0
73.02946	2.3
75.00874	6.4
83.01398	1.1
85.02946	13.7
87.00870	2.2
89.02444	4.1
93.03453	1.1
95.01392	4.3
96.96001	1.9
99.00864	3.4
101.02447	4.8
103.00362	2.8
109.02960	1.3
111.00871	0.9
111.69765	0.7
113.01678	1.6
113.02451	24.1
116.92866	5.3
117.01961	1.5
119.03466	1.1
123.04499	1.0
126.90485	1.5
132.77623	0.9
133.02934	2.3
134.03780	1.3
135.04518	12.8
137.02429	2.3
141.67223	0.8
149.06041	1.4
151.04028	1.3
161.02452	6.6
163.03966	1.1
167.45515	0.7
175.02496	11.4
175.03981	1.3
179.03467	4.4
197.04486	1.4
252.67648	0.8
263.08176	0.9
281.06680	1.4
342.86508	0.9
363.27005	1.6
379.30029	1.1
381.27719	1.0
397.30905	1.4
437.30481	6.0
438.30957	1.8
453.30054	1.1
455.31583	4.3
456.32010	0.9
473.32776	1.8
485.32599	2.9
499.30774	1.9
503.33875	29.8
504.34225	5.5
517.31647	6.7
518.31665	1.2
679.36957	100.0
680.37128	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	679.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51743	0.2
51.62255	0.2
57.03459	0.3
58.00606	0.9
59.01382	11.0
61.98834	9.8
68.99825	0.5
71.01390	5.5
71.05055	0.6
72.99329	1.0
73.02975	0.5
75.00883	0.8
83.01419	0.4
83.05044	0.4
85.02956	1.5
85.17217	0.3
87.00890	0.4
89.02444	4.0
95.01411	0.6
96.96034	0.3
98.19817	0.5
101.02442	2.4
101.06107	0.4
102.76009	0.3
109.94054	0.2
110.34076	0.2
113.02435	2.4
116.92893	0.4
119.03535	0.8
119.05031	2.6
133.02972	0.7
134.03835	0.3
135.04529	1.7
137.02429	0.4
145.02946	0.8
146.03711	0.4
147.04506	0.9
159.04546	0.4
161.02428	1.6
161.04549	0.7
163.04031	1.1
177.78384	0.2
179.03503	0.7
218.88130	0.2
229.01561	0.3
233.24057	0.3
237.05504	0.3
251.06825	0.3
263.66959	0.3
263.70291	0.2
266.05893	0.8
335.23758	0.3
353.06631	1.5
357.26187	0.3
379.30063	0.4
389.28540	0.7
391.29990	1.0
407.29459	0.8
433.30984	0.8
437.30624	18.5
438.30804	2.9
451.32053	0.6
455.31635	10.6
455.37973	0.6
456.32050	1.7
463.47757	0.3
471.31158	1.2
472.32065	0.4
473.32532	1.3
499.30560	1.1
517.31696	100.0
518.32043	17.4
518.40057	0.6
559.32733	11.1
560.33234	1.7
589.33545	0.7
619.34558	1.0
679.36755	9.3
680.36932	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	679.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.4
60.99302	0.5
61.98807	0.5
69.30736	2.9
69.31142	0.7
70.78851	0.3
71.01382	3.8
71.05019	2.8
72.99297	0.9
75.00882	0.5
83.05010	0.8
85.02947	0.7
89.02451	2.2
101.02435	2.0
113.02442	1.3
119.03515	0.7
135.04486	0.9
149.21568	0.4
161.02419	0.6
162.02888	0.4
179.03519	0.5
249.66776	0.4
377.28378	1.0
393.31732	0.8
395.29309	0.7
419.29520	1.1
437.30603	10.0
438.30899	1.5
455.31680	5.8
456.31934	1.6
473.32935	0.9
499.30566	3.6
500.31134	0.5
517.31696	24.6
518.31995	4.3
542.89423	0.5
559.32666	1.3
560.33392	0.6
645.95831	0.4
679.36951	100.0
680.37262	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	679.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
57.03440	1.8
58.00592	0.7
59.01384	21.8
59.27037	0.5
64.22382	0.6
69.03433	0.8
71.01389	22.0
71.63201	0.8
72.99312	1.4
73.02947	7.7
75.00873	1.0
83.01403	4.0
85.02956	11.1
87.00870	1.4
87.04513	2.0
87.21339	0.6
89.02451	9.1
95.01383	2.1
99.00875	2.5
101.02450	20.4
113.02448	12.7
119.03510	3.9
123.04482	0.7
125.02379	0.7
131.03496	0.6
133.02936	1.4
135.04536	4.0
143.03510	0.6
147.04608	0.6
159.03024	1.0
161.02435	1.8
161.04558	2.0
162.02666	0.6
175.02473	2.6
179.03487	1.4
179.05656	1.6
195.05048	0.6
196.46111	0.7
233.69481	0.5
269.17596	0.8
298.01727	0.7
409.31409	0.8
413.21878	1.1
431.22849	100.0
432.23178	11.9
455.22681	1.7
473.23657	3.3
503.33917	6.3
504.33841	0.9
516.60370	0.7
541.11639	0.6
679.37445	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	679.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
58.00588	0.7
59.01384	7.8
60.99302	1.2
61.98827	0.7
66.89286	0.3
68.87607	0.3
69.34949	0.5
69.35359	2.1
71.01384	4.6
71.05013	0.4
72.99315	1.0
73.02959	0.5
75.00862	0.6
83.01390	0.4
85.02946	0.9
87.00859	0.3
89.02442	3.2
101.02447	2.3
109.02888	0.3
109.35824	0.3
113.02463	1.6
116.92859	0.3
119.03470	0.8
119.04982	0.4
133.02960	0.6
135.04532	1.8
139.50301	0.3
143.03418	0.3
145.02931	0.4
149.02437	0.3
151.03905	0.4
161.02458	2.0
161.04515	0.3
179.03497	1.0
197.04465	0.5
231.12141	0.4
256.59985	0.3
312.12497	0.4
367.10159	0.3
389.28592	0.5
391.30109	0.7
407.29425	1.0
409.31070	0.7
437.30585	8.6
438.31003	1.5
439.28702	0.5
454.31094	0.4
455.31677	11.0
456.32050	2.6
471.31116	0.7
473.32727	0.7
499.30649	1.3
517.31720	26.5
518.31989	4.1
559.32642	3.2
560.32910	0.5
679.36981	100.0
680.37292	22.9
697.37616	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	679.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62802	0.5
59.01376	4.6
59.83824	0.4
61.98817	0.8
71.01377	2.3
71.05015	1.6
72.99297	1.6
89.02442	0.8
95.01402	0.6
96.28259	0.5
101.02451	1.4
117.50059	0.5
131.16557	0.5
133.02931	1.0
133.15250	0.5
135.04523	2.9
137.02408	1.1
161.02454	2.7
163.03998	1.2
179.03426	1.3
189.12856	0.9
197.04535	1.1
377.28586	3.1
379.26532	0.5
393.44492	0.5
395.29456	1.0
411.32504	2.7
421.27371	4.9
422.28015	0.8
429.33685	1.7
437.30576	2.8
438.30844	0.6
439.28540	8.9
440.28952	1.8
455.31702	6.5
456.31961	0.6
473.32602	5.8
474.33124	0.8
481.29834	0.7
488.96884	0.6
499.30655	2.9
500.30783	0.6
505.31314	0.6
517.31671	12.6
518.31927	2.4
559.32312	1.6
561.07410	0.5
617.36694	2.7
618.37048	1.3
636.96661	0.6
679.36957	100.0
680.37305	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	679.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96865	0.8
59.01377	21.6
71.39115	1.3
72.51433	0.9
83.63834	1.1
85.02970	1.2
101.02397	1.2
108.02146	3.4
109.02953	100.0
110.03276	3.3
119.05004	2.3
123.04504	2.6
131.05063	2.7
133.02982	6.1
135.04504	7.6
145.02924	3.0
146.03725	2.1
147.04538	8.0
151.04030	1.2
158.03705	1.2
159.04509	31.3
160.04939	1.7
161.02394	4.7
163.03983	1.1
173.02425	1.5
174.03160	1.1
175.04002	5.8
179.03458	4.3
199.07724	1.4
203.03494	23.6
204.03676	1.1
226.06335	1.2
227.07071	1.4
235.11868	1.5
237.05545	2.6
247.02396	2.6
251.07111	2.6
253.05043	1.5
254.05861	4.3
255.06625	1.3
267.06592	3.2
269.05258	2.0
269.08176	37.7
270.08594	4.4
277.12885	1.4
295.06079	2.6
311.05719	1.6
313.07159	25.1
314.07492	1.7
337.62146	1.0
353.06720	1.2
357.06149	75.9
358.06329	7.9
383.07565	1.1
543.33765	1.1
699.62543	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	679.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03439	0.7
57.51313	0.6
59.01382	40.7
63.80392	0.6
71.01382	19.1
71.05021	0.8
72.01714	0.9
72.99309	1.7
73.02950	8.7
83.01386	2.5
85.02954	6.9
87.00874	1.3
87.04509	3.0
89.02451	9.8
95.01408	1.2
99.00872	2.3
101.02451	14.7
113.02449	7.3
117.64562	0.6
118.17604	0.5
119.03518	3.3
125.02429	0.9
129.90448	0.7
131.03490	0.9
135.04492	1.4
143.03519	0.9
159.03087	0.7
161.02417	1.6
161.04605	2.8
179.05667	0.9
251.16476	0.9
269.17361	1.1
362.01752	0.7
387.23749	0.9
388.23392	0.6
396.71231	0.6
405.68765	0.7
413.21799	1.2
431.22885	4.8
432.23083	0.8
455.23108	1.4
473.23898	100.0
474.24283	13.7
497.24014	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	677.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03449	1.5
58.00592	1.3
59.01381	100.0
60.01716	0.9
60.42888	0.5
61.98847	1.1
66.50177	0.4
67.32137	0.5
69.03448	0.6
71.01382	19.0
71.05038	2.6
72.62031	0.5
72.99318	1.5
73.02953	7.6
75.00907	0.8
80.96503	0.8
81.03487	0.5
83.01382	6.1
83.05026	1.6
85.02956	7.6
87.00884	2.0
88.14527	0.5
89.02437	2.8
95.01408	1.7
97.02956	1.9
97.06628	0.9
98.19883	1.0
99.00886	2.2
101.01768	1.1
101.02442	23.0
111.00862	0.9
111.08173	0.7
113.02454	6.7
113.57706	0.6
119.03563	1.2
125.02422	2.9
133.02968	1.3
135.04532	2.2
137.09679	0.6
143.03503	2.3
146.04662	0.5
155.10773	1.9
158.46724	0.6
159.03061	0.5
161.02492	3.7
161.04520	4.2
164.44244	0.5
201.51363	0.6
249.71150	0.6
391.26419	1.5
401.27048	0.5
407.29709	3.9
408.29999	0.8
425.30353	1.5
439.43835	0.6
453.30078	6.9
454.30444	1.1
455.31543	1.7
457.29260	0.8
467.31552	3.1
472.34918	1.4
473.32672	87.4
474.33005	13.4
485.32605	0.8
515.33588	5.7
516.34351	1.2
528.74683	0.7
569.34723	0.7
581.33929	0.7
585.33563	0.7
593.26733	1.1
599.36011	2.8
617.36926	60.6
618.37347	13.7
635.37994	37.6
636.38458	7.3
677.39063	13.9
678.39380	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	677.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
70.01073	0.8
71.01363	0.2
80.05051	0.4
81.03458	7.2
83.05029	19.8
84.05369	0.3
100.07720	0.3
107.06117	0.2
108.04559	0.8
110.46724	0.2
119.46063	0.2
125.07189	1.4
126.05611	0.5
135.04524	0.3
143.08237	0.6
145.02957	0.2
159.37012	0.2
161.02501	0.3
179.03452	0.3
199.18246	0.2
207.14961	1.4
224.17682	2.8
225.16077	13.2
226.16498	1.1
242.18651	0.9
249.69231	0.2
290.22458	0.3
291.04709	0.2
291.20724	0.2
309.21777	0.9
319.65668	0.2
324.26556	0.7
333.22931	1.0
341.29245	0.9
367.27292	1.1
368.27359	0.2
385.28177	0.3
407.33698	0.3
433.31772	1.4
435.77856	0.2
450.34552	1.9
451.32910	6.9
452.33072	0.8
550.43365	1.1
559.39746	0.5
565.44659	0.3
593.44305	0.6
641.12512	0.2
659.48730	1.3
660.48987	0.3
677.49664	100.0
678.49976	24.4
678.62219	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	677.3905
Annotation	Cimiracemoside D
Peak:m/z	Relative Intensity
55.01877	1.7
56.85860	0.4
57.03445	1.8
58.00589	1.8
59.01381	100.0
60.01718	0.6
61.98831	5.4
66.83570	0.4
69.03472	0.8
71.01382	28.1
71.05012	3.2
72.01754	0.7
72.78921	0.5
72.99310	4.0
73.02950	9.7
75.00877	1.2
81.03452	0.6
83.01386	5.1
83.05048	1.4
85.02953	9.8
85.03445	0.8
86.00115	0.9
87.00874	2.3
89.02443	6.5
95.01364	2.4
97.02972	1.0
97.06604	0.8
99.00884	3.7
101.02447	17.6
102.02833	0.5
103.00401	1.4
108.25923	0.5
109.02945	0.8
111.00854	2.7
111.08110	0.6
111.12768	0.5
112.01625	0.4
113.02444	9.7
114.02794	0.5
119.03507	2.4
123.04541	0.7
124.01675	0.5
125.02471	3.7
131.03413	0.6
133.02956	8.0
134.03725	0.8
135.04518	4.9
137.02412	0.5
141.01932	0.8
142.02751	0.8
143.03488	2.7
145.02985	0.9
145.74745	0.5
149.02466	0.8
151.03973	1.2
155.10797	1.7
159.02986	0.6
161.02454	24.5
161.04477	4.9
162.02792	0.5
171.10271	1.0
179.03462	3.0
179.05678	0.6
197.04543	0.9
207.13911	0.6
221.06418	0.7
230.02568	0.5
267.06644	1.0
283.13495	0.9
295.22003	0.5
310.29117	0.5
311.05670	1.2
321.11606	0.6
345.42447	0.5
391.26450	1.4
407.29660	5.8
408.29828	1.1
409.27267	0.8
411.29047	0.6
425.30475	2.1
433.27600	0.6
434.27475	0.7
435.29001	0.9
437.30878	1.0
453.30087	8.7
454.30692	1.2
455.31821	2.8
456.32175	0.7
457.29459	2.2
467.31595	3.6
468.32230	0.6
471.31259	0.8
473.32687	87.5
474.33044	13.8
503.34039	0.7
515.33777	4.3
516.34027	0.8
525.32172	1.4
543.33112	0.8
569.34735	0.7
581.34961	1.0
597.22754	1.1
599.36121	1.6
617.36932	88.7
618.27039	1.0
618.37231	20.6
635.37970	49.8
636.38336	9.4
677.29614	1.2
677.39117	21.4
678.39264	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	677.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03453	1.2
58.00588	1.0
58.85114	0.3
59.01379	100.0
60.01717	1.2
61.98828	1.0
68.99828	0.6
69.03457	1.0
70.21136	0.3
71.01381	14.8
71.05022	1.8
72.99307	1.6
73.02948	6.3
75.00873	0.5
81.03480	0.5
83.01390	6.8
83.05032	0.5
85.02955	8.3
86.00155	0.3
87.00866	1.7
89.02454	1.2
95.01369	1.6
97.02974	1.2
98.19636	0.3
99.00888	2.6
99.95684	0.3
101.02444	19.5
102.02815	0.3
111.00911	0.5
111.04468	0.3
111.08184	0.3
113.02450	6.6
125.02434	3.9
133.02945	2.3
134.03786	0.3
135.04517	1.0
135.08163	0.3
136.07552	0.3
137.02423	0.3
137.09717	0.3
143.03499	5.0
148.74673	0.3
152.62573	0.3
155.10759	0.8
159.02980	1.2
159.04269	0.3
161.02478	5.3
161.04535	8.2
178.02753	0.3
179.03403	0.9
203.05519	0.7
209.53955	0.3
230.83092	0.4
233.15588	0.4
267.06586	0.4
391.26480	1.5
393.24142	0.4
407.29602	3.8
408.29602	0.5
409.27295	1.1
411.29050	0.5
423.28772	0.7
425.30728	3.1
426.30737	0.9
433.27582	0.5
441.29959	2.2
442.31381	0.3
453.30139	5.7
454.30563	1.2
455.31699	2.0
457.29828	0.7
467.31622	1.3
468.32181	0.3
471.30609	0.5
473.32681	46.6
474.33017	8.0
485.32092	0.4
515.33826	2.7
526.09875	0.3
539.33624	0.8
569.34778	0.6
599.36041	1.6
600.35767	0.7
617.36896	19.2
618.37079	4.0
635.37964	20.5
636.38080	3.6
677.39142	5.1
678.39191	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	677.3906
Annotation	Cimiracemoside D
Peak:m/z	Relative Intensity
55.01883	2.1
57.03449	1.5
58.00592	1.3
59.01381	100.0
60.01716	0.9
60.42888	0.5
61.98847	1.1
66.50177	0.4
67.32137	0.5
69.03448	0.6
71.01382	19.0
71.05038	2.6
72.62031	0.5
72.99318	1.5
73.02953	7.6
75.00907	0.8
80.96503	0.8
81.03487	0.5
83.01382	6.1
83.05026	1.6
85.02956	7.6
87.00884	2.0
88.14527	0.5
89.02437	2.8
95.01408	1.7
97.02956	1.9
97.06628	0.9
98.19883	1.0
99.00886	2.2
101.01768	1.1
101.02442	23.0
111.00862	0.9
111.08173	0.7
113.02454	6.7
113.57706	0.6
119.03563	1.2
125.02422	2.9
133.02968	1.3
135.04532	2.2
137.09679	0.6
143.03503	2.3
146.04662	0.5
155.10773	1.9
158.46724	0.6
159.03061	0.5
161.02492	3.7
161.04520	4.2
164.44244	0.5
201.51363	0.6
249.71150	0.6
391.26419	1.5
401.27048	0.5
407.29709	3.9
408.29999	0.8
425.30353	1.5
439.43835	0.6
453.30078	6.9
454.30444	1.1
455.31543	1.7
457.29260	0.8
467.31552	3.1
472.34918	1.4
473.32672	87.4
474.33005	13.4
485.32605	0.8
515.33588	5.7
516.34351	1.2
528.74683	0.7
569.34723	0.7
581.33929	0.7
585.33563	0.7
593.26733	1.1
599.36011	2.8
617.36926	60.6
618.37347	13.7
635.37994	37.6
636.38458	7.3
677.39063	13.9
678.39380	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	677.3902
Annotation	Cimiracemoside D
Peak:m/z	Relative Intensity
54.15140	0.2
55.01876	0.7
55.42532	0.2
57.03449	0.5
58.00587	0.6
59.01380	100.0
59.69851	0.1
60.01722	1.2
69.03462	0.3
69.18114	0.2
69.18494	0.2
71.01384	11.2
71.05037	0.6
72.99316	0.6
73.02947	3.7
75.00893	0.4
83.01387	2.0
85.02954	4.5
86.00123	0.2
87.00868	1.2
89.02446	5.4
92.45417	0.2
95.01393	1.6
97.02958	0.4
99.00891	1.2
99.04611	0.2
101.02444	10.0
102.02793	0.3
111.00925	0.3
113.02448	5.7
119.03512	2.2
125.02481	0.6
128.89990	0.2
131.03528	0.5
133.02971	0.7
135.04565	0.5
136.49660	0.2
143.03476	1.3
149.04582	0.3
151.58566	0.2
159.03059	0.5
161.02499	1.0
161.04541	3.9
161.05818	0.2
171.10246	0.2
179.03497	0.2
179.05595	2.0
203.05640	0.2
209.11763	0.2
391.26505	0.5
407.29526	1.9
409.27609	0.2
423.29010	0.2
425.30795	0.9
441.30286	0.2
449.30881	0.3
455.31784	2.3
456.31854	0.3
457.29541	0.4
467.31683	0.3
473.32721	3.7
474.33035	0.3
491.31854	0.2
497.32837	1.0
505.07309	0.2
515.34058	0.4
539.34094	0.7
563.30017	0.2
569.34729	0.9
587.35980	1.0
599.36127	0.2
617.36932	18.0
618.37366	3.4
635.37988	6.3
636.38184	1.2
661.36292	0.6
677.39240	4.4
678.39685	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	677.3907
Annotation	Cimiracemoside D
Peak:m/z	Relative Intensity
55.01871	0.4
57.03436	0.5
59.01379	100.0
60.01717	1.0
61.98840	0.2
69.47952	1.1
71.01379	4.2
71.01757	0.3
71.05032	0.3
72.99308	0.5
73.02956	1.0
83.01395	0.6
85.02956	2.6
87.00878	0.3
89.02460	0.9
90.65252	0.2
91.99447	0.1
93.15597	0.1
95.01392	0.9
96.95959	0.2
99.00886	0.5
101.02441	1.9
113.02448	4.6
116.60829	0.2
119.03474	0.2
125.02459	0.3
133.02960	0.8
135.04486	0.9
137.02519	0.2
143.03534	0.3
144.78629	0.1
149.02464	0.2
153.10539	0.2
159.02966	0.2
161.02467	1.9
161.04526	1.4
179.03522	0.7
297.38293	0.2
311.05655	0.2
391.26486	0.3
407.29587	0.9
425.30798	0.4
441.30286	0.2
455.31665	0.3
473.32663	3.3
474.33203	0.5
516.20764	0.3
569.34961	0.3
617.36914	9.2
618.37189	1.9
635.38031	2.0
636.38586	0.3
661.36395	0.5
677.39093	3.5
678.39209	1.0
679.37970	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	675.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91011	0.9
52.52217	0.9
59.01380	100.0
60.01701	1.3
61.98832	1.0
71.64742	1.3
87.40272	0.8
91.06523	0.8
99.36154	0.8
107.32518	0.9
109.04620	1.0
122.55341	1.0
157.51822	1.0
161.02388	0.9
182.18156	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	677.3567
Annotation	Bryoamaride
Peak:m/z	Relative Intensity
59.01377	23.5
61.98826	3.3
71.01390	12.1
71.05018	2.1
72.99295	4.4
73.02939	3.7
75.00880	1.9
83.01371	2.1
83.05031	14.4
85.02954	4.2
87.00892	1.3
89.02439	5.3
95.01411	1.5
96.95998	3.4
97.06632	1.3
98.20707	2.1
99.00892	1.8
99.04501	1.8
99.31413	1.1
101.02439	6.2
109.02953	2.7
113.02459	5.4
113.50919	1.1
116.92856	3.3
119.03501	1.6
119.05063	2.8
122.06136	1.3
123.04522	2.2
125.02415	1.4
127.98950	1.1
133.02968	5.3
134.03659	1.1
135.04524	23.0
136.04863	1.7
137.02428	2.7
145.02948	4.3
149.02434	2.4
161.02438	16.6
161.04527	1.2
162.02788	2.0
163.04057	3.0
179.03491	7.9
179.05690	1.3
197.04515	2.7
202.98683	1.4
211.08121	1.1
221.15492	3.2
237.20341	1.2
265.14459	6.6
266.14755	4.3
267.06546	3.0
267.15244	4.3
279.41821	1.3
299.19147	1.3
311.05606	5.4
312.05963	1.8
359.07605	2.6
387.25372	3.8
435.29047	3.6
471.21194	1.8
473.27368	1.4
497.29050	3.3
501.32483	2.3
503.33862	1.4
515.30096	21.0
516.30402	3.0
557.31201	3.9
633.35437	1.5
677.35388	100.0
678.35376	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65372	0.3
51.07261	0.3
55.01864	1.3
57.03441	1.3
57.38501	0.4
58.00596	2.2
59.01381	39.7
60.17813	0.3
61.98830	0.5
68.99806	0.4
69.03450	2.3
71.01385	37.2
71.34057	0.5
72.01731	0.5
72.99313	3.7
73.02948	6.3
75.00873	1.1
80.96509	1.3
81.03472	1.6
83.01392	3.8
83.05025	0.5
85.02957	8.2
86.00080	0.4
87.00877	9.3
87.04515	0.5
89.02446	31.7
91.03988	0.6
93.03456	0.4
95.01383	2.3
97.02952	7.1
99.00883	2.3
99.92557	0.3
101.02444	29.1
102.02786	0.5
103.00373	0.4
103.03953	0.3
109.02931	0.9
111.00851	1.0
111.04504	0.6
113.02452	14.6
115.04053	0.8
115.92065	1.2
116.92869	0.8
117.03453	0.4
119.03505	9.5
121.02937	0.6
123.00886	0.3
123.04539	0.3
124.01636	0.4
125.02449	11.5
126.02802	0.4
127.04007	0.5
131.03497	1.4
133.05069	1.1
135.04485	0.4
139.04018	1.2
141.01938	0.5
143.03499	5.8
145.08948	0.3
149.02502	0.7
149.04524	1.4
161.02498	0.5
161.04555	7.4
167.03476	1.0
169.05034	0.7
179.03398	0.4
179.03978	0.5
179.05611	6.6
185.04478	0.7
199.06142	0.5
203.05588	0.5
203.91704	0.3
217.07127	1.0
219.05116	0.4
221.06619	2.4
235.08209	14.5
236.08600	0.7
245.06784	0.6
253.09264	3.2
260.20279	0.4
263.07736	1.8
277.09314	1.3
279.23276	100.0
280.23599	10.2
287.07718	3.2
305.08743	3.2
323.09814	1.7
361.11557	0.5
362.67505	0.4
379.12515	1.1
397.13498	74.0
398.13834	6.3
415.14557	30.3
416.14771	2.8
424.39066	0.3
577.26910	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	675.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
61.98819	0.8
70.65324	0.3
70.65665	0.4
71.01385	0.5
72.99305	0.2
80.12361	0.2
83.01379	0.2
101.02431	0.2
109.55883	0.2
110.42601	0.2
113.02435	0.2
116.92883	0.3
125.25722	0.2
135.04506	0.4
161.02419	0.9
179.03461	0.3
206.26257	0.3
262.12479	0.3
458.33511	0.3
459.33972	0.3
471.34778	100.0
472.35126	16.3
574.89948	0.2
675.36462	0.3
699.74518	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	675.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98832	0.2
71.01382	0.5
73.02935	0.2
84.02264	0.1
85.02980	0.2
101.02480	0.2
105.92006	0.1
113.02410	0.3
116.92879	0.2
133.02965	0.2
135.04546	0.6
161.02440	0.6
179.03516	0.2
267.06732	0.2
364.78751	0.1
437.61017	0.2
471.34775	100.0
472.35129	17.6
547.40295	0.1
615.38971	0.2
675.40356	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	675.411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17524	0.3
59.01380	8.5
61.98837	1.2
71.01390	2.8
71.29876	0.5
72.99307	0.4
73.02943	1.5
81.30360	0.3
83.01387	0.6
85.02954	1.0
96.11588	0.3
96.96027	1.3
101.02451	2.0
113.02460	0.9
133.02953	0.5
135.04544	0.7
149.02466	0.5
161.02423	1.9
161.04578	0.5
212.05411	0.3
291.48239	0.3
355.95004	0.3
373.14334	0.3
391.71964	0.3
393.31665	0.3
423.32986	0.5
471.34787	100.0
472.35141	16.0
472.42023	0.6
615.39148	3.9
616.39398	0.6
633.39771	1.2
657.39948	0.4
675.41101	12.5
676.41364	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	675.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75233	0.1
59.01382	1.3
61.47739	0.1
63.97211	0.1
69.49142	1.2
71.01376	0.6
73.02947	0.4
83.01398	0.3
85.10369	0.1
98.19856	0.2
101.02435	0.6
113.02468	0.2
116.05367	0.1
118.61800	0.1
130.07927	0.1
161.02460	0.3
175.73573	0.2
190.36758	0.2
203.05502	0.2
227.59280	0.1
254.64622	0.2
353.24530	0.1
371.93600	0.1
389.28064	0.1
407.33081	0.8
423.32373	0.2
425.34091	0.2
471.34778	100.0
472.35110	16.1
485.36450	0.3
675.40930	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	675.4111
Annotation	Rubianoside I
Peak:m/z	Relative Intensity
52.80611	0.4
55.01876	1.4
57.03443	1.1
58.70021	0.5
59.01383	26.7
60.01722	0.6
60.99298	2.2
61.98818	1.4
71.01382	11.5
71.89497	0.5
72.99311	1.0
73.02948	4.9
82.96510	0.4
83.01382	2.5
85.02954	6.8
87.00865	0.9
88.44950	0.4
89.02438	0.7
95.01364	1.0
96.96017	0.5
97.02905	0.4
99.00851	1.3
101.02447	8.1
109.02957	0.7
113.02454	5.1
116.92894	0.6
126.09412	0.4
126.90529	0.6
133.02922	1.3
134.85884	0.4
135.04520	3.7
145.02888	0.7
153.09135	0.6
159.03033	0.6
161.02461	4.9
161.04587	1.6
169.94261	0.5
171.10374	0.5
179.03522	1.5
226.13625	0.5
267.06580	0.6
311.05508	0.6
427.31992	0.6
471.35098	2.7
543.05896	0.5
615.39105	17.8
616.39178	4.3
633.39862	1.4
675.41119	100.0
676.41449	22.7
676.53058	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	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52304	0.1
55.01884	1.6
57.03450	1.6
58.00594	2.7
59.01382	50.5
60.01717	0.4
60.68856	0.1
61.98833	1.5
62.68696	0.1
67.01907	0.2
68.99826	0.7
69.03458	3.0
71.01384	44.0
71.65846	0.2
72.01713	0.7
72.99313	3.4
73.02947	7.3
75.00880	1.2
79.34169	0.1
81.03466	2.0
83.01390	5.1
83.05038	0.6
84.02184	0.2
85.02950	9.9
86.00108	0.6
87.00877	11.5
87.04498	0.4
88.01191	0.2
89.02447	39.3
90.02797	0.5
91.04019	0.9
93.03472	0.5
95.01389	3.0
95.05029	0.3
97.02953	7.2
99.00887	2.9
99.04525	0.6
101.02445	36.5
102.02795	0.7
103.00379	0.5
103.04010	0.5
107.01371	0.2
107.03494	0.1
109.02948	0.7
110.70696	0.2
111.00886	0.9
111.04526	1.3
112.01642	0.2
113.02451	17.2
114.02776	0.4
115.03992	0.9
119.03503	12.0
120.03859	0.2
121.02952	0.6
123.00903	0.4
123.04499	0.3
124.01656	0.4
125.02449	15.4
126.02797	0.6
127.04018	0.5
127.07657	0.3
129.01971	0.3
131.03503	2.3
133.05057	1.2
137.02444	0.5
139.03992	1.4
141.01965	0.8
143.03505	6.9
149.02455	0.2
149.04547	1.4
151.03925	0.4
155.03410	0.2
157.05038	0.3
159.02869	0.2
161.04559	9.1
162.04852	0.2
163.04005	0.2
167.03502	1.0
169.05060	0.6
171.02994	0.5
172.89801	0.2
179.05614	7.8
181.05092	0.3
185.04466	1.1
199.06143	0.6
203.05640	0.5
209.04515	0.2
210.55296	0.2
217.07133	1.4
219.05078	0.6
221.04506	0.2
221.06644	3.1
233.15466	0.2
233.22800	0.4
235.08218	16.1
236.08627	0.8
245.06624	0.9
253.09283	4.1
259.08392	0.2
259.20624	0.6
263.07645	1.6
275.20102	0.5
277.09537	1.5
277.21704	100.0
278.22046	9.2
287.07706	3.9
288.08121	0.2
291.23441	0.3
305.08795	3.9
306.09021	0.3
323.09842	2.1
361.11356	0.6
379.12439	1.0
397.13480	84.8
398.13821	7.0
415.14548	36.2
416.14871	3.3
501.95175	0.2
675.35626	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	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39571	0.2
55.01886	1.8
56.35915	0.2
56.99831	0.2
57.03453	1.6
58.00594	2.4
59.01383	50.8
59.43594	0.2
60.01715	0.4
64.84650	0.2
67.01885	0.3
68.99819	0.4
69.03462	2.5
70.22630	0.6
70.23022	0.4
71.01385	42.2
72.01734	0.7
72.99310	3.1
73.02954	6.9
75.00867	1.2
81.03453	1.7
83.01389	5.2
83.05022	0.5
83.78078	0.2
85.02956	9.6
86.00096	0.4
87.00881	10.8
87.04507	0.4
89.02449	40.3
90.02786	0.7
91.04014	1.1
93.03452	0.5
95.01395	3.6
95.05035	0.4
97.02955	8.0
99.00875	2.7
99.04531	0.8
101.02446	34.2
102.02800	0.6
103.04013	0.5
109.02962	0.6
110.48151	0.2
111.00887	0.7
111.04503	1.2
113.02455	17.6
114.02711	0.3
115.04019	0.9
119.03504	12.5
120.03880	0.2
121.02979	0.9
123.00928	0.2
124.01640	0.6
125.02452	13.8
126.02812	0.6
127.03983	0.6
129.01950	0.2
131.03506	2.1
133.05093	1.3
137.02428	0.4
139.04008	1.0
141.01918	0.9
143.03513	6.7
149.02423	0.3
149.04509	1.3
155.03404	0.3
157.05072	0.4
161.03206	0.5
161.04558	8.7
167.03471	0.9
169.05034	0.6
171.03009	0.3
179.05615	8.0
185.04585	0.9
199.06110	0.8
203.05559	0.4
217.07213	1.2
219.05132	0.5
221.06668	3.2
233.22824	0.3
235.08218	16.1
236.08508	0.7
245.06664	1.0
253.09282	4.2
259.20648	0.5
263.07733	2.0
264.07996	0.3
275.20062	0.5
277.09506	1.1
277.21716	100.0
278.22049	8.5
278.25214	0.4
287.07715	3.8
291.23108	0.3
305.08771	3.8
323.09848	1.8
342.21310	0.2
361.07220	0.2
361.11502	0.7
379.12433	1.3
397.13495	84.0
398.13831	7.4
415.14560	37.0
416.14893	3.2
568.16266	0.2
580.54742	0.3
582.63660	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49371	0.2
59.01379	2.2
61.98811	0.3
69.98914	1.0
71.01378	1.9
72.99313	2.4
73.02941	0.7
80.02674	1.1
81.03468	1.1
83.01382	0.4
83.05026	4.2
84.02186	0.9
84.21444	0.2
85.02958	0.6
86.17765	0.2
87.00858	0.3
87.32717	0.2
89.02445	1.3
93.03474	0.5
95.05026	0.8
97.06581	0.2
98.20586	0.3
101.02451	1.6
108.04553	0.3
109.02950	0.8
109.06580	0.4
110.03274	0.2
113.02451	0.9
119.03506	0.3
119.05016	0.3
121.02983	0.3
122.06136	0.4
123.04563	1.0
124.04873	0.3
125.06087	0.4
125.09736	0.4
133.02953	3.0
134.03255	1.1
134.06113	0.7
135.03618	0.2
135.04538	3.6
135.08174	0.8
136.04845	1.1
143.03519	0.2
145.02943	0.2
145.05095	0.3
149.02437	0.8
149.09540	0.2
150.03140	0.7
150.06837	1.5
151.03822	0.2
151.07240	0.5
152.07274	0.6
157.05252	0.2
161.02443	13.3
161.04585	0.8
162.02785	4.7
163.02936	1.6
163.07626	0.3
163.11299	3.6
164.08458	0.3
165.12843	2.5
171.10268	2.4
179.03482	2.6
179.10742	0.5
180.03839	0.8
180.11140	0.5
181.03879	0.3
181.12398	0.4
189.09128	0.2
191.10742	0.9
197.04546	2.4
198.04843	1.0
199.05046	0.6
209.11824	100.0
210.12160	5.7
213.10324	0.3
221.11757	0.3
224.47133	0.2
227.12889	12.6
228.13216	0.8
235.08192	1.7
247.13409	1.1
253.09267	4.9
254.09468	0.2
265.14392	0.4
267.06592	0.8
267.11609	0.2
268.06955	0.6
269.07373	0.5
283.06113	0.5
284.06412	0.5
285.12518	0.4
293.09317	0.4
295.10974	0.3
311.05588	1.8
312.05893	1.6
313.06116	1.1
314.07224	0.3
329.06580	0.5
329.23166	0.4
330.07004	0.7
330.23926	0.4
331.07135	0.5
331.23563	0.2
343.08249	0.4
359.07751	2.1
360.08008	2.7
361.08301	2.7
400.16675	0.3
445.20563	0.5
493.34454	0.2
500.18457	0.2
509.10840	0.4
509.34924	0.4
510.11090	1.6
510.35101	0.6
511.11465	3.3
511.35611	0.7
512.11945	0.3
523.11511	0.2
550.21954	0.2
550.72113	0.2
554.31268	0.2
597.24115	0.3
598.24585	0.2
623.25092	0.6
637.32251	0.8
641.26056	0.5
672.40643	0.4
673.29755	0.3
673.40906	4.1
674.41388	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	675.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01384	9.5
61.98820	0.6
69.51306	2.1
69.51706	0.6
71.01387	5.2
73.02951	2.6
73.65363	0.4
75.15237	0.4
83.01391	0.9
83.05038	0.6
85.02962	1.6
86.49769	0.5
89.02455	4.0
94.72218	0.3
95.01392	0.6
99.04524	13.9
101.02445	3.9
109.02981	0.5
111.04507	0.7
113.02448	3.0
115.30799	0.4
119.03492	1.2
121.06725	0.5
125.02464	0.5
131.03543	0.5
135.04549	0.9
135.08160	1.6
143.03494	1.0
152.07214	0.4
161.02423	1.1
161.04517	1.4
179.05647	0.7
203.05659	0.5
203.14410	11.6
204.14746	1.2
221.15463	35.6
222.15811	2.8
245.15465	0.4
247.13438	1.8
263.16568	0.5
265.14447	100.0
266.14771	8.6
289.14505	1.5
307.15555	3.4
335.67706	0.4
367.17535	0.5
409.18411	0.5
427.19720	8.2
428.20166	1.1
469.20844	12.6
470.21014	1.5
675.29889	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	673.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77700	0.5
59.01386	3.4
61.98831	1.1
68.14645	0.4
71.01401	2.1
71.62797	0.5
71.63203	0.6
72.99311	11.5
73.02981	0.5
73.99641	1.1
74.99748	1.3
78.21584	0.4
79.38140	0.4
80.02692	0.8
81.03456	1.5
82.28983	0.4
83.05025	5.5
85.02965	0.5
87.00896	0.4
89.02436	1.7
90.64276	0.5
95.01438	0.5
95.05055	0.7
101.02444	2.1
109.02966	3.4
109.06577	0.8
110.03332	0.6
113.02442	1.0
115.31473	0.6
117.03514	0.5
119.78455	0.5
121.02967	0.8
122.06138	1.6
123.04526	4.9
124.04889	1.8
125.02610	0.5
126.28873	0.4
126.90498	0.5
132.02145	1.0
133.02962	18.7
134.03268	5.3
135.03525	1.0
135.04523	18.2
135.08199	0.9
136.04840	5.8
137.02470	0.5
137.05045	1.6
145.02991	1.0
146.72220	0.4
149.02437	5.9
150.03246	6.0
151.03571	2.4
152.07175	1.2
159.04404	0.6
161.02446	81.6
162.02779	36.0
163.02971	11.3
163.11270	3.2
164.03270	0.5
165.12796	2.1
167.86336	0.4
168.32559	0.5
171.10289	2.7
174.03197	0.6
177.01976	0.9
178.02557	0.5
179.03487	13.3
180.03854	4.8
181.04024	2.3
181.12407	0.9
197.04535	12.2
198.04874	6.2
199.05037	3.7
209.11824	100.0
210.12154	5.7
227.12897	13.1
228.13190	1.0
235.08224	1.9
247.13341	1.2
250.06328	0.6
253.09303	5.3
267.06540	4.9
268.06985	4.6
269.07303	1.6
283.06064	0.8
284.06363	1.2
285.06528	0.5
311.05655	5.5
312.05942	5.3
313.06390	5.0
314.07260	1.8
315.07657	2.2
324.55667	0.5
341.06985	0.5
356.73331	0.5
359.07684	10.9
360.08051	14.9
361.08255	15.9
362.08411	1.4
425.87463	0.6
445.20648	0.9
463.21677	0.6
511.11069	1.5
518.19562	0.7
565.24670	0.7
609.23157	0.6
641.25128	0.7
673.37152	2.2
674.35974	0.8
698.56628	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	673.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.6
62.68082	0.9
71.01357	2.0
71.39766	2.2
71.95523	0.9
72.95940	1.0
72.99310	2.4
73.02941	1.1
79.07845	0.9
80.05048	5.6
85.20348	0.9
93.03468	1.2
94.06614	3.7
101.02477	1.5
104.05042	4.1
106.06623	2.3
107.03784	8.8
108.04549	2.2
119.03534	1.2
120.04520	2.7
121.05363	1.4
122.06123	53.3
123.06430	2.2
124.07656	1.7
130.06647	1.7
132.04559	2.9
133.02962	3.3
134.06134	14.8
135.04562	5.0
136.07680	2.8
139.02711	2.3
148.04047	3.4
149.02345	1.1
150.05573	2.3
152.07175	75.7
153.07509	2.7
160.04015	1.9
160.06392	1.8
161.02469	13.4
161.04678	1.2
162.02814	4.6
163.02936	1.6
174.05592	3.3
179.03474	2.9
180.06673	3.2
186.05614	2.1
188.07147	9.6
190.05106	1.9
197.04457	1.3
199.13460	1.2
209.11862	15.8
210.07924	1.2
211.08748	2.8
213.10355	9.9
223.08757	2.6
224.09442	2.1
225.10245	5.7
226.11159	2.5
227.12778	5.3
235.08823	2.5
237.10367	5.3
239.11880	8.5
240.12296	1.1
241.13393	5.0
245.12962	5.8
248.09599	1.1
249.06700	1.1
249.10281	2.4
250.07495	6.4
251.08252	6.3
251.11856	2.2
252.08900	2.3
253.09662	7.6
263.08173	3.3
264.09076	1.3
265.06271	1.7
265.09799	12.5
266.10367	3.5
267.06894	1.3
267.11533	6.8
267.13861	1.2
277.09781	3.6
278.06921	14.0
278.10376	2.9
279.07675	13.0
279.11249	4.7
285.12451	18.9
286.12775	1.6
287.23477	1.3
291.07831	3.3
292.08463	2.5
293.09357	47.9
293.12857	5.1
294.10028	15.8
294.13190	2.0
295.10809	19.1
296.11246	2.8
305.09238	1.3
306.10059	5.5
307.10846	9.0
309.12256	5.1
311.05627	3.1
311.10593	1.4
312.05917	1.8
313.11880	2.8
321.08856	2.1
323.10449	6.4
325.11810	2.3
337.08301	31.8
338.08737	5.5
339.09738	4.7
339.13461	1.4
340.14178	1.1
343.13049	1.3
351.09528	2.5
355.13342	1.2
358.15604	7.1
359.07501	1.7
361.08188	1.3
370.11890	1.7
384.13629	2.3
386.14932	2.6
400.16632	7.4
401.17249	1.5
402.14120	1.2
412.16443	3.5
417.16901	1.5
418.17218	1.5
430.14001	3.4
431.18359	3.9
432.19196	1.9
444.15634	4.4
444.52127	1.0
458.17075	4.4
459.17963	12.6
460.18652	10.5
461.19247	1.9
462.16742	2.9
474.20453	14.8
475.20450	2.3
476.18192	3.0
486.16705	2.3
503.16855	9.5
504.17667	20.5
505.17972	3.2
518.19287	77.6
519.19666	13.3
523.23358	3.1
535.19287	6.2
536.20306	5.1
550.21912	100.0
551.22290	19.2
565.24579	39.7
566.24933	9.4
597.27283	6.7
598.26599	1.9
609.23627	20.8
610.24097	3.7
641.26160	66.8
642.26630	14.1
673.28760	16.3
673.39886	1.5
674.29352	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	673.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.5
59.58304	1.6
71.11703	2.2
71.12025	2.2
80.05077	8.9
94.06644	2.7
104.05071	2.9
106.06606	5.6
107.03788	7.6
108.04565	2.1
115.85985	1.7
116.78178	1.5
120.04520	2.2
120.08190	1.8
121.05373	2.3
122.06127	60.9
124.07738	2.6
132.04570	3.2
134.06140	15.0
136.07622	1.6
146.06035	1.3
148.04008	3.0
152.07176	82.6
153.07524	2.8
160.04007	2.0
160.06384	6.4
161.02417	1.5
165.96335	1.6
174.05527	4.8
180.06697	3.3
188.07100	8.3
190.05141	3.1
211.08720	4.4
213.10310	14.2
223.08659	1.5
225.10425	7.2
226.11066	2.3
227.11726	3.3
237.10278	4.8
239.11880	16.3
240.12302	2.3
241.13446	12.0
245.12971	10.5
249.10428	2.7
250.07510	4.1
251.08153	4.3
251.11949	4.3
252.08972	1.8
253.09811	5.8
263.08331	2.4
265.09943	9.0
265.12256	1.4
266.10294	3.9
267.11288	4.9
270.64508	1.6
277.09824	3.4
278.07013	4.9
278.10498	4.6
279.07687	6.4
279.11310	4.5
285.12445	40.7
285.15616	2.3
286.12753	3.4
293.09277	27.2
293.12878	7.8
294.10132	9.6
295.10876	19.4
296.11157	3.5
306.10025	3.0
307.10846	7.3
309.12466	3.1
313.11954	5.8
314.05826	1.5
316.14609	2.6
322.09894	1.9
323.10278	9.6
325.11951	3.5
337.08298	15.3
338.09103	3.5
339.09610	4.9
339.13437	1.9
340.14697	1.8
355.12869	2.2
356.17798	1.9
357.14801	1.8
358.15546	10.8
384.13373	4.3
385.14227	2.3
386.14850	1.8
399.15323	2.3
400.16739	12.9
401.17078	2.0
412.16620	5.4
413.17322	1.9
418.17599	2.3
431.18381	2.4
432.19150	4.5
442.17575	1.8
444.15161	3.2
458.16656	1.9
459.17966	5.6
460.18622	13.2
462.16687	1.9
463.17413	2.1
474.20355	9.7
476.18240	3.0
486.16638	1.9
497.25998	3.6
503.16876	4.7
504.17734	22.3
505.18185	2.8
518.19342	32.1
519.19501	4.9
521.25446	2.1
523.23511	4.3
535.19141	2.4
536.20050	4.7
550.21930	37.1
551.22516	7.2
565.24573	80.6
566.24878	17.0
597.27124	10.8
598.27606	2.6
609.23450	44.3
610.23761	8.4
641.26123	100.0
642.26428	24.6
673.28882	15.7
674.29010	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	673.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.6
61.98805	1.4
65.25099	1.0
66.61026	1.2
69.69120	7.7
71.01358	1.3
72.61617	1.1
72.99309	1.2
80.05059	14.4
94.06615	4.8
104.05038	4.9
106.06635	6.4
107.03773	11.6
108.04525	5.2
109.02926	2.0
112.11171	1.1
120.04527	1.6
121.05312	2.4
122.06123	80.5
123.06449	3.7
128.03918	1.2
132.04544	3.9
133.02937	3.4
134.06108	16.4
135.04530	5.8
136.04825	1.4
136.07674	2.9
139.02725	2.2
146.06111	1.8
148.04018	3.4
150.05542	2.0
152.07169	100.0
153.07524	3.7
157.04376	1.2
160.04045	4.2
160.06389	2.1
161.02429	14.5
161.04637	1.3
162.02771	1.7
164.06943	1.5
174.05577	7.2
179.03493	2.9
180.06619	4.8
186.05634	1.7
188.07181	8.9
190.05061	3.6
197.04468	2.2
209.11823	2.1
211.08701	3.6
213.10359	15.3
223.08766	3.4
225.10289	8.3
226.11050	3.6
227.11810	2.9
235.08730	1.9
237.10316	4.3
239.08249	2.3
239.11887	20.8
241.13478	11.8
245.12993	9.4
249.06593	1.3
249.10445	2.5
250.07510	4.8
251.08200	2.5
251.11798	3.9
252.09027	4.4
253.09805	10.2
254.10291	1.6
263.08154	3.1
265.06351	1.3
265.09824	9.5
266.10559	2.7
267.11359	6.6
277.09717	6.1
278.06897	5.3
278.10532	5.3
279.07718	9.3
279.11179	3.7
281.09317	1.8
285.12448	39.1
286.12714	4.0
287.13803	1.3
288.14566	1.5
291.07620	1.9
292.08768	2.2
293.09274	23.5
293.12900	6.2
294.10117	8.4
295.10834	24.2
296.11298	2.0
301.11951	1.3
306.10083	2.6
307.10803	9.1
309.12451	3.6
311.10190	1.6
313.11932	6.7
314.12173	1.8
316.14560	2.5
321.08041	1.3
323.10336	8.9
324.10858	2.5
325.11920	4.2
325.49927	1.5
326.12607	1.5
328.10968	2.1
330.12326	1.7
332.17822	1.8
337.08331	13.8
338.09003	4.1
339.09879	3.4
340.10480	1.4
342.12537	1.7
343.13446	2.8
344.14114	2.6
344.18140	1.5
351.10028	2.2
355.12958	5.1
356.17593	3.8
357.14801	3.4
358.15573	15.4
359.07495	1.8
359.16101	1.6
370.11667	2.6
375.96863	1.3
384.13467	5.6
386.14853	1.7
392.19818	1.6
400.16595	17.4
404.16217	1.4
412.16495	4.1
417.17139	3.6
418.17581	3.1
419.18414	2.0
430.13657	2.8
431.18716	2.4
432.19376	7.5
442.18033	2.2
444.15533	3.6
458.17194	2.9
459.17761	6.5
460.18863	11.1
462.16501	2.2
463.17343	4.1
464.17392	1.8
474.20667	6.7
475.18771	1.5
476.18140	5.9
478.19818	9.1
479.20410	1.8
486.17044	1.6
497.25513	4.0
503.16766	3.4
504.17734	15.4
505.17975	3.0
508.21179	1.4
518.19379	31.1
519.19592	4.8
521.25470	2.5
523.23596	11.9
524.23572	1.7
535.19495	4.9
536.20471	9.8
550.21960	49.6
551.22253	8.2
565.24664	70.1
566.24799	14.3
568.23242	3.5
581.23352	1.9
597.27594	8.6
609.23560	63.4
610.23767	13.7
641.26105	70.1
642.26477	16.4
673.28729	58.5
674.29266	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	673.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18888	0.4
54.03779	0.4
59.01385	2.4
69.03461	0.7
69.53669	0.4
71.01383	2.0
71.62075	0.6
73.02942	0.5
75.37138	0.4
76.28082	0.4
83.55852	0.5
85.02953	0.9
89.02463	0.4
93.03458	44.3
94.03799	1.5
97.02940	2.7
101.02467	1.1
109.02915	0.8
111.08182	0.6
113.02436	0.7
118.98162	0.4
125.02449	19.1
126.02822	0.4
137.02444	100.0
138.02776	3.7
155.07129	0.6
161.04459	0.5
163.04024	0.8
179.03394	0.5
251.69812	0.6
299.07715	14.4
300.08109	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	673.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14764	0.8
59.01381	9.2
62.77972	0.9
69.34002	9.2
71.01388	1.3
72.99302	2.8
80.05066	11.6
94.06618	3.6
96.95999	1.3
101.02454	1.1
104.05048	4.3
106.05982	0.9
106.06599	4.7
107.03769	12.2
108.04556	3.9
108.08193	1.0
109.02969	2.2
110.03275	1.0
120.04562	3.0
120.08179	1.4
121.05341	2.1
122.06126	77.2
123.04515	1.8
123.06458	2.2
124.07677	2.1
130.06624	2.1
132.04547	2.4
133.02994	5.1
133.05180	0.9
134.06120	19.2
135.04538	9.5
136.04884	1.5
136.07686	2.1
139.02745	3.0
146.06099	1.7
148.04025	4.1
149.02429	1.4
150.05594	2.7
150.30978	1.0
152.07175	100.0
153.07518	4.9
158.02478	1.1
160.04044	2.7
160.06372	3.3
160.07568	1.2
161.02441	19.1
161.04651	2.0
162.02725	1.6
162.05595	0.9
163.03966	1.7
166.05084	0.9
174.05624	5.8
179.03505	5.5
180.06651	4.0
186.05678	1.8
188.07158	8.3
190.05150	1.7
193.49872	0.9
197.04550	3.3
205.62686	0.9
209.11880	5.8
211.08746	4.4
213.10339	14.0
214.10632	1.2
221.10915	1.1
223.08759	3.5
224.09407	1.5
225.10313	9.5
226.11125	2.0
227.11940	3.1
235.08777	2.0
237.10304	5.6
238.07439	1.7
239.08232	2.2
239.11882	17.9
240.12228	2.3
241.13481	9.2
242.13748	1.6
245.12952	9.1
249.06642	1.6
249.10373	2.4
250.07494	4.6
251.08287	4.9
251.11902	4.1
252.08977	4.2
253.09882	7.7
254.10406	1.7
262.07480	1.7
263.08359	2.2
264.08939	1.4
265.06818	1.3
265.09805	10.3
266.10446	3.5
267.11359	7.2
269.12646	1.6
277.09796	4.1
278.06921	5.1
278.10626	3.1
279.07739	8.9
279.11292	5.0
280.08371	1.2
281.09229	1.4
281.12555	1.2
285.12454	40.9
285.15646	2.2
286.12769	3.1
291.07718	1.4
292.08249	1.5
293.09290	23.1
293.12900	7.5
294.09991	8.1
295.10855	22.0
296.11182	2.7
306.10135	2.7
307.10880	9.4
309.12387	2.0
311.05804	2.3
311.10300	2.0
312.05832	1.5
313.06210	1.5
313.11777	8.0
314.12708	1.2
316.14645	1.2
323.10287	7.9
324.10873	1.2
325.11945	3.8
326.12576	1.5
328.10898	1.8
330.15903	1.1
332.17697	1.8
337.08286	12.3
338.08823	3.3
339.09827	3.5
340.10605	1.2
340.14447	1.3
342.12527	2.7
343.13129	2.8
344.14035	2.4
351.09796	1.2
355.13129	5.3
356.13605	1.4
356.17633	3.4
357.14932	3.5
358.15598	15.3
359.07605	2.3
359.15976	3.0
361.08188	1.4
370.11847	2.9
370.15823	1.4
372.17294	1.8
384.13171	4.9
385.14087	3.5
389.17868	1.1
392.19708	1.1
399.15717	1.2
400.16647	18.1
401.16992	3.6
404.16245	2.0
412.16876	4.5
416.16064	1.8
417.16946	4.2
418.17865	1.5
419.18356	2.8
430.14026	2.9
431.18674	2.4
432.19455	7.9
433.19644	1.8
442.17761	1.5
443.18295	2.0
444.15460	2.7
451.29822	1.1
458.17148	3.3
459.18127	5.6
460.19006	9.5
462.16620	2.9
463.17590	6.1
474.20795	7.6
476.18347	4.6
477.18912	1.8
478.19855	7.8
479.20145	1.3
486.17230	2.2
494.13400	1.2
497.25647	3.1
503.17395	5.7
504.17700	14.0
505.17798	2.0
509.21909	2.0
518.19336	26.8
519.19672	5.1
521.25281	2.1
523.23480	10.6
524.23792	3.4
535.19421	1.8
536.20435	8.8
541.24292	1.5
550.21960	43.6
551.22321	8.5
555.25970	1.7
565.24658	61.1
566.24902	13.2
568.23224	3.6
569.23761	1.6
597.27478	6.5
598.26935	1.5
609.23560	59.4
610.23871	12.0
641.26154	67.1
642.26501	12.8
673.28735	56.8
673.39075	1.6
674.29126	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	673.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25556	0.3
67.84761	0.3
71.42905	0.4
71.43243	0.4
72.99311	14.2
89.04044	0.3
102.62581	0.3
105.03473	0.3
107.05025	0.4
109.02973	0.5
123.04526	6.5
132.02150	1.1
133.02957	20.1
134.03276	0.4
135.04521	14.1
136.04817	0.7
145.36674	0.3
151.03992	1.1
152.30807	0.3
161.02444	100.0
162.02773	4.6
179.03494	12.0
180.03851	0.7
188.15964	0.3
197.04553	19.0
198.04845	0.8
223.02481	0.6
313.07233	2.4
314.07764	0.4
335.62738	0.4
359.07721	25.3
360.08121	2.8
408.04831	0.3
530.21002	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	673.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
61.98823	0.5
69.56257	0.4
69.56660	1.8
72.99310	15.1
75.38344	0.2
86.96046	0.2
93.03472	0.4
96.96016	0.6
105.03511	0.3
109.02966	1.4
114.15899	0.3
116.92832	0.3
122.06152	0.5
123.04533	6.2
132.02179	1.0
133.02959	22.8
134.03622	0.5
135.04524	16.6
136.04874	0.6
137.02429	0.8
150.06827	0.9
151.03989	0.9
161.02444	100.0
162.02771	5.4
179.03499	14.0
179.10751	0.6
180.03802	0.4
187.07655	0.3
195.80919	0.2
197.04547	18.1
198.04926	0.9
207.10722	0.2
223.02530	0.4
230.30095	0.3
257.12973	1.0
301.11951	2.0
313.07117	2.1
359.07727	29.3
360.08069	2.9
387.16934	0.3
457.63055	0.3
511.36560	2.1
611.32886	0.3
673.27985	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	672.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.4
61.98840	5.7
70.54611	1.4
70.54918	2.7
71.01387	5.6
71.05010	2.0
72.99312	2.9
73.02950	4.8
80.30099	1.7
87.97886	1.7
93.54765	1.5
101.02448	4.7
109.02956	2.9
113.02422	1.8
114.09241	1.8
115.07652	30.5
117.03521	2.3
121.02942	1.6
133.02956	5.3
133.40923	1.5
135.04536	4.7
145.02950	6.6
150.03157	2.2
156.10318	14.9
158.11859	18.3
161.02444	21.9
162.02769	3.8
163.04004	2.4
167.14427	23.2
171.10265	3.2
179.03493	4.9
180.03868	1.7
184.16917	1.5
187.04015	3.4
197.04581	2.9
197.11871	2.3
209.11861	2.9
211.13403	29.0
223.17023	2.1
225.18629	1.8
229.14409	16.7
237.18636	3.3
241.18062	27.5
242.18449	2.4
255.19695	2.0
261.77423	1.6
265.18066	13.1
265.21851	2.0
267.06360	1.7
270.61911	1.5
283.19113	17.5
284.19446	2.2
297.20819	2.5
307.19077	6.0
308.22278	9.0
309.20676	2.8
326.23172	2.1
359.07623	3.6
360.08011	4.1
424.30679	100.0
425.31073	12.3
466.31723	4.0
467.32480	1.9
489.29990	1.6
521.23724	2.5
587.26520	1.5
628.37354	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	672.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71375	1.0
51.41321	0.9
54.87278	0.9
56.70795	0.8
59.01381	16.3
61.98827	2.4
70.18084	3.3
71.01375	6.7
71.05022	5.6
72.99311	4.1
73.02943	5.4
79.07841	0.9
79.42250	1.2
83.01438	1.1
97.02943	1.0
97.06604	1.7
101.02446	3.4
113.02439	1.8
114.09252	1.9
115.07651	31.5
119.05060	2.2
123.04542	1.2
125.02419	1.2
128.10837	1.2
132.58722	1.1
133.02959	5.1
135.04507	5.0
137.88489	1.0
145.02913	2.0
150.03111	1.1
156.10292	19.9
158.11873	21.7
161.02444	17.2
162.02780	6.4
163.03976	4.1
167.14424	18.9
179.03432	2.6
187.04042	2.0
197.04520	2.9
209.11804	2.3
211.13414	31.0
221.19072	1.3
223.16953	2.0
225.15038	1.2
229.14413	20.5
230.14865	1.4
237.18556	2.3
241.15697	1.9
241.18086	34.6
242.18387	2.5
255.19656	3.4
265.18036	10.5
265.21362	2.3
268.06885	1.7
283.19211	15.1
284.19705	1.4
297.20657	2.7
307.19159	5.1
308.22403	8.9
309.20667	3.4
311.05383	1.5
312.05942	2.1
326.23380	3.5
359.07822	2.4
360.08060	3.6
424.30670	100.0
425.31027	14.9
439.32080	1.2
466.31665	3.7
469.33139	1.5
613.37964	3.8
631.38733	2.5
673.39502	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	672.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.2
61.98826	2.0
67.47563	1.3
69.33384	9.7
71.01380	5.3
71.05022	8.4
72.99308	3.2
73.02937	4.5
73.57565	1.2
96.96053	2.2
97.06593	3.1
101.02428	3.7
105.43285	1.3
107.59280	1.6
109.35486	1.6
110.39859	1.6
113.02451	2.0
115.07633	4.4
120.94762	1.3
125.02393	2.0
127.11285	15.7
133.02917	3.7
135.04564	6.6
151.11215	2.0
153.12840	1.9
161.02440	14.2
162.02742	4.9
164.14412	1.6
167.14394	37.2
168.14720	2.4
169.12338	35.9
170.12697	1.8
171.10280	3.7
179.03500	3.4
180.03923	1.7
182.15465	4.0
197.04475	2.4
209.15341	1.6
211.13397	48.2
212.13632	2.2
212.16515	1.5
223.13400	2.4
229.14432	68.6
230.14764	5.7
243.16061	7.9
244.16263	1.5
253.14452	9.7
254.17590	6.2
265.21741	5.9
268.07135	1.5
271.15448	3.3
272.18658	27.9
273.18918	3.1
277.66583	1.5
283.19064	2.2
309.20694	2.8
311.05432	1.7
326.23380	9.3
359.07562	2.7
360.08154	1.9
406.29565	3.6
424.30704	100.0
425.30917	11.7
466.31677	5.5
467.30643	1.8
493.97882	1.7
510.11264	2.6
673.39392	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	671.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	2.6
61.98835	3.4
62.08749	0.7
71.01385	1.9
71.44879	0.8
72.99316	6.7
73.14952	0.6
78.97781	0.6
83.01421	0.9
85.02950	0.7
85.20965	0.6
88.95058	0.7
96.38448	0.7
101.02439	2.4
109.02943	2.7
113.06136	0.8
116.92886	1.4
117.03481	1.2
121.02949	1.2
123.04528	3.4
125.00426	0.8
126.90474	1.1
133.02966	10.8
134.03738	1.0
134.06152	0.9
135.04539	13.8
145.02983	0.9
149.02405	3.9
150.03253	3.6
151.03975	1.0
161.02446	50.8
162.02809	3.3
171.10268	0.8
179.03482	8.5
181.05324	0.7
197.04568	8.7
209.11865	1.9
255.06645	0.8
267.06616	4.6
268.07098	0.9
283.06076	2.4
311.05585	10.4
312.06015	1.2
313.07208	2.3
329.06531	2.8
359.07706	19.6
360.08118	2.1
509.10822	5.5
510.11172	1.2
611.35474	1.4
629.37000	1.3
635.37762	2.6
636.37622	1.0
671.35730	100.0
672.36139	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	671.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
57.03440	1.4
58.00590	1.6
59.01383	100.0
61.98838	9.6
71.01385	44.5
72.99319	3.9
73.02953	15.0
78.95909	1.5
83.01401	7.3
85.02958	17.0
87.00851	1.3
89.02443	3.9
90.09428	1.4
92.34363	1.3
92.78188	1.2
95.01368	3.6
99.00885	6.9
101.02453	36.1
105.55883	1.4
109.02952	1.4
113.02452	22.1
127.04033	2.4
129.09195	3.0
133.02950	5.3
135.04507	5.3
143.03505	3.2
159.02924	5.9
161.02475	22.6
161.04553	38.8
162.02814	2.1
179.03519	5.1
183.15477	1.3
190.77434	1.2
197.04491	3.7
255.23126	1.7
267.06577	2.4
283.06161	1.4
294.41000	1.4
308.47946	1.3
311.05612	2.1
329.06516	1.5
359.07660	6.9
360.08069	2.0
443.08334	1.2
449.36459	5.7
450.36609	1.4
509.10916	4.2
611.41644	94.4
612.42023	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	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97339	0.8
57.03425	0.9
59.01379	14.2
66.79111	0.8
71.01383	7.4
71.33809	1.1
72.99310	9.9
73.02946	2.0
80.02696	2.8
81.03465	5.1
83.05024	7.9
84.02180	1.9
85.02956	1.9
87.00867	3.1
89.02437	4.3
93.03464	2.2
94.06618	1.5
95.01411	1.1
95.05016	1.3
97.02954	8.0
97.06617	1.0
99.00889	1.5
101.02448	6.9
102.38124	0.9
106.06615	0.9
107.03767	3.3
107.04996	1.5
109.02975	5.5
109.06593	26.5
110.03703	1.1
112.56773	0.9
113.02460	4.1
121.02959	2.6
121.06600	2.6
122.06114	21.6
123.04527	4.9
125.06018	1.1
125.09737	2.4
126.86139	1.0
133.02963	17.7
134.03702	1.5
134.06116	3.2
135.04536	19.8
135.08160	5.0
139.02834	1.4
142.02696	2.1
145.03030	1.3
145.05031	1.0
149.02444	6.8
150.03215	6.5
151.04057	1.1
152.07176	30.5
153.07545	1.7
161.02444	80.4
161.09702	1.6
162.02774	4.7
163.11292	17.7
165.12805	3.2
171.10280	2.9
179.03493	14.7
181.12314	4.2
185.11804	3.0
186.05588	1.3
189.09178	2.1
191.10704	1.2
197.03070	1.2
197.04587	12.0
207.10271	63.0
208.10622	4.1
209.11835	100.0
210.12134	7.4
223.13220	1.1
224.00519	1.0
225.11342	28.2
226.11647	1.8
227.12904	13.3
235.08305	4.4
237.10147	1.4
249.11063	1.6
250.07394	3.7
253.09283	12.0
263.08255	2.5
263.12915	1.3
265.04996	1.6
265.09738	6.1
265.14362	1.0
266.10345	1.0
267.06625	6.8
277.09790	3.4
277.15158	1.0
278.06888	2.9
283.06149	2.8
291.07782	1.7
293.09326	20.8
294.09674	2.0
299.14957	1.5
305.09341	7.6
306.09909	1.5
311.05634	16.1
312.05948	2.1
313.07169	2.2
329.06534	1.6
337.08600	1.0
345.16180	1.4
359.07745	23.1
360.08038	2.8
373.23886	1.1
398.15005	3.3
398.96344	1.0
399.17065	1.2
399.21619	6.2
400.16415	1.3
400.22070	1.2
405.17514	1.2
410.14920	1.9
417.23019	5.1
429.16666	1.6
430.17703	3.8
435.23615	1.6
441.84320	1.0
443.19153	3.3
458.17102	8.0
461.20377	11.4
472.18747	1.3
473.08682	6.2
474.08676	1.2
484.15530	1.1
490.19751	2.8
502.16211	23.2
503.16434	4.1
509.10693	6.3
509.18567	1.5
510.11334	1.8
517.18506	8.4
518.19409	1.5
534.18829	8.2
549.20996	1.8
563.22876	7.2
564.22858	1.5
595.25525	3.2
607.21783	2.4
627.28571	1.8
635.30750	11.2
636.31317	2.0
639.24591	28.1
640.24817	5.1
653.31873	13.6
654.32117	2.5
671.33331	22.1
672.33557	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	671.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21370	1.1
59.01384	5.2
61.98808	1.0
69.52414	5.2
69.52836	2.6
72.99306	10.6
77.19217	0.9
93.03452	1.1
94.06620	2.8
101.02448	1.4
106.06573	1.3
107.03783	9.9
108.84811	0.9
109.02950	4.6
109.06565	1.9
111.04551	0.9
117.03480	1.1
120.04542	1.5
121.02934	1.2
122.06124	57.3
123.04519	6.4
123.06495	1.9
124.07690	1.5
133.02960	20.1
134.06119	7.8
135.04533	24.4
139.02768	3.5
145.02933	1.8
147.04524	1.6
149.02446	8.2
150.03244	5.4
150.05627	1.8
151.04034	1.5
152.07176	74.3
153.07484	3.4
161.02448	100.0
162.02757	5.4
162.06834	2.7
163.11287	2.1
174.03291	1.5
177.09238	2.6
179.03493	17.4
186.05627	2.5
197.04579	14.7
207.10307	7.5
209.11858	9.4
225.11214	3.3
227.12801	1.1
229.72340	1.0
235.08772	2.6
237.10326	4.8
247.08702	1.1
247.90384	1.1
249.06514	1.0
249.10381	3.7
250.07552	7.5
251.08105	3.1
253.09209	1.3
262.07635	1.2
263.08282	5.6
265.09799	16.1
266.10135	1.9
267.06656	9.9
267.11285	2.7
275.08127	1.1
277.09818	9.8
278.06955	10.2
279.07492	1.1
283.06061	3.4
291.07794	5.9
292.08533	2.7
293.09332	62.5
294.09695	4.2
305.09311	21.3
306.09949	3.2
311.05597	19.9
312.06046	2.7
313.07159	2.9
315.13535	3.8
325.11969	1.9
329.06567	3.0
337.04440	0.9
337.08331	3.6
349.81912	1.1
354.12418	1.5
355.12943	3.5
356.13684	1.1
359.07706	35.4
360.08087	3.3
367.09186	1.2
370.15689	1.7
382.11560	1.3
382.16010	1.4
383.12674	1.2
390.18170	1.6
396.13220	1.3
398.15237	9.1
399.15668	1.5
400.16302	2.1
410.15265	3.8
428.16263	3.2
429.16852	2.5
430.17587	10.9
431.18478	1.2
444.15543	1.5
457.16351	2.2
458.17236	26.7
459.17862	4.8
461.20328	1.7
472.18860	2.3
473.09052	3.4
474.16138	2.3
484.15295	2.8
490.19913	7.0
493.30005	1.6
502.16208	73.3
503.16400	10.4
504.21466	4.7
505.22034	3.2
509.10892	9.2
510.11166	1.3
516.17834	1.4
517.18524	23.5
518.19000	3.8
534.18829	22.7
535.18732	2.1
548.20844	1.5
549.21063	9.9
563.22986	24.1
564.23334	3.5
595.25397	9.9
596.25818	2.5
607.22076	5.7
627.28033	3.8
635.31097	1.7
639.24615	81.8
640.24762	15.5
671.26685	13.8
672.27643	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	671.2679
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
57.43686	8.4
61.98837	17.3
69.88120	9.2
78.10897	7.6
78.95907	16.4
83.46986	8.2
100.91548	7.5
133.02966	11.3
135.04523	11.1
143.02145	7.7
144.65100	7.8
152.99596	11.2
161.02489	46.8
164.61371	7.9
191.44537	7.6
197.04675	10.6
201.17816	8.9
255.23325	20.7
317.01849	8.5
359.07501	17.4
382.40311	8.3
399.09204	9.2
671.26672	100.0
672.27393	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	671.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21646	0.4
57.39845	0.3
59.01381	6.3
61.98829	0.8
70.08311	0.8
70.08716	0.7
71.01379	1.3
72.99314	3.7
73.02928	0.6
85.02939	0.7
87.38420	0.3
93.32176	0.3
96.81578	0.3
96.95998	0.4
98.19842	0.4
101.02437	1.0
107.03752	0.5
109.02957	1.6
113.02459	0.7
117.03561	0.3
120.04587	0.3
122.06117	1.5
123.04557	1.8
126.90509	1.1
132.04538	0.7
133.02974	6.9
134.06175	0.5
135.04532	6.5
145.02911	0.5
149.02432	2.0
150.03198	1.6
152.07188	2.8
159.94989	0.3
161.02446	27.0
162.02742	1.8
167.07112	0.9
174.03186	0.6
179.03490	5.3
190.05101	2.3
197.04536	5.0
197.95171	0.4
198.09253	2.6
207.10124	0.3
209.11745	0.9
212.05910	0.6
218.82222	0.4
223.08711	0.7
225.06830	0.4
225.11333	0.6
226.07469	1.6
227.13039	0.4
228.08963	2.8
239.11897	11.2
239.16968	0.4
240.12102	0.5
241.09819	70.5
242.10123	5.0
243.11359	1.9
255.11255	1.6
256.12167	42.7
257.12512	3.2
267.06671	2.9
283.06204	1.3
300.11160	9.3
301.11624	0.5
311.05716	4.7
312.06055	0.7
315.13498	100.0
316.13791	10.1
323.14185	0.4
329.06442	1.0
330.16156	1.1
355.08807	0.2
355.12979	6.8
356.13489	0.9
357.55881	0.3
359.07745	8.6
360.08020	1.0
509.10983	3.0
563.22754	1.9
595.25580	3.1
596.25891	0.7
611.34772	0.4
671.39313	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	671.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60351	0.5
53.32134	0.5
55.01874	0.6
55.49784	0.5
59.01379	6.9
69.03445	0.6
69.31470	1.6
69.31886	3.2
71.01384	6.9
72.50778	0.5
72.99309	6.8
73.02946	1.3
81.03434	1.1
83.01364	0.6
85.02945	4.3
89.02448	3.1
93.03432	1.4
95.01368	2.4
97.02934	0.5
99.00874	0.7
99.27463	0.6
101.02451	3.5
108.02177	61.4
109.02962	38.8
110.03296	1.3
113.02441	2.8
116.20879	0.5
119.03492	0.8
119.04951	0.7
121.02948	2.2
123.00849	1.5
123.04530	3.5
125.02478	0.7
133.02927	1.7
134.03664	0.5
135.04529	3.7
137.02390	0.6
144.49469	0.5
146.03842	0.7
147.04495	2.2
151.03996	1.3
152.01163	62.9
153.01956	16.4
154.02220	0.7
159.04530	1.2
161.02460	4.7
161.04570	0.7
161.05923	0.6
163.03978	1.8
165.01938	1.1
165.05553	2.2
167.14449	0.6
175.04037	0.7
179.03508	1.7
179.42735	0.6
193.12366	1.3
195.18532	0.7
197.04529	1.5
209.04468	1.2
211.13399	4.3
215.03462	0.7
229.07254	0.5
237.05681	0.9
250.06438	0.6
253.04941	2.0
254.05898	0.8
255.06595	2.7
260.09247	1.9
265.04898	0.6
267.06616	5.5
269.08032	0.6
279.06567	0.7
281.08212	1.0
293.08499	0.9
311.05652	3.2
313.07361	1.1
315.07214	1.4
319.06070	0.7
355.08124	1.2
373.18564	4.0
429.09592	1.5
445.15826	0.7
465.11707	3.2
466.12671	0.6
491.19073	2.3
509.10925	3.5
510.11267	0.6
671.25513	100.0
672.25891	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	671.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56367	0.5
52.42268	0.5
56.97853	0.5
59.01382	3.9
61.98826	0.8
71.01417	0.6
72.99307	20.8
81.03442	0.6
85.02922	0.7
89.02428	0.7
93.03440	2.6
95.05045	1.2
97.39561	0.5
105.03501	1.0
107.05033	0.7
108.02193	0.8
109.02946	9.3
109.03662	0.8
117.03499	0.7
121.02953	6.3
123.04517	7.2
124.04868	0.6
131.05084	0.6
132.02180	2.0
133.02959	28.3
134.03621	0.8
135.04523	28.0
136.04855	1.3
137.02460	1.6
145.02946	1.7
147.04486	1.6
149.01250	0.7
149.02437	12.7
150.03101	0.7
151.04013	8.6
153.01988	2.8
159.04514	2.9
160.01692	0.8
161.02441	100.0
162.02783	5.2
163.04016	4.0
173.02493	0.6
175.03961	1.3
177.01903	0.8
177.09232	0.9
179.03497	17.3
180.03864	0.8
193.06596	1.3
195.10197	0.9
196.05402	1.0
197.04541	14.4
198.04907	0.8
199.07674	0.7
203.03494	0.7
209.06102	2.4
211.07649	2.1
213.05576	0.7
220.05211	0.7
221.06059	2.2
222.06648	0.8
223.07561	0.7
224.04796	1.8
225.05391	0.8
227.07164	1.5
229.01392	1.0
229.05077	1.2
237.05528	3.8
238.06276	1.8
239.07195	4.2
239.09245	3.7
240.04265	2.8
241.05002	2.7
242.05678	1.3
243.02930	0.6
243.06709	0.5
249.05473	2.8
250.06259	1.9
252.04355	0.6
253.05048	1.8
254.05840	0.9
255.06631	16.2
256.06992	2.0
265.05017	1.9
266.05826	1.2
267.06613	15.5
268.07071	2.2
269.04645	0.8
269.08130	1.4
273.07672	1.1
277.05170	0.6
281.08243	0.6
283.06024	2.6
285.07654	7.2
286.07977	0.6
293.04605	1.9
294.05133	0.6
295.06152	2.1
305.06693	3.4
311.05624	18.2
312.06256	3.2
313.07156	4.0
321.04031	1.9
329.06650	44.9
330.06970	4.1
339.05133	1.3
347.07761	11.0
348.08377	0.9
357.06152	1.5
359.07709	22.8
360.08011	1.7
401.14520	1.8
429.09885	1.0
443.45752	0.6
447.10745	1.2
465.11725	2.5
469.11707	0.6
473.08749	1.7
491.09796	15.1
492.10138	2.6
509.10870	22.6
510.11209	4.4
563.18835	1.0
671.14325	0.8
671.29633	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	671.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37373	0.6
59.01381	3.0
61.98797	0.5
71.01389	1.6
71.62817	0.5
72.99305	4.4
81.03403	0.5
82.46082	0.4
83.39550	0.5
85.02922	0.7
89.02441	1.0
90.83249	0.4
93.03468	0.6
95.05027	0.8
101.02437	0.7
102.09766	0.4
105.03474	1.1
107.05045	0.6
108.02181	2.3
109.02956	55.6
110.03290	1.8
113.02428	0.6
115.05552	0.7
119.04972	1.1
120.05447	0.4
121.02950	1.4
122.03765	0.9
123.04534	10.6
130.04256	0.9
131.05023	1.4
132.02180	1.2
133.02959	27.5
135.04523	10.6
139.04070	0.5
145.02991	2.7
146.03671	0.9
147.04546	5.2
149.02452	1.4
150.03198	1.3
151.04028	6.6
152.97806	0.5
158.03740	0.9
159.04520	16.6
160.04913	0.7
161.02446	100.0
162.02779	4.8
163.04013	1.5
175.03981	4.5
177.01878	0.9
179.03482	6.3
191.03455	0.8
197.04544	1.6
198.06877	0.5
203.03516	12.9
204.03935	0.9
223.07692	0.9
227.03394	0.6
227.07048	0.5
237.05528	1.7
239.07195	1.0
247.02396	0.8
249.05635	0.6
251.07024	1.3
252.07587	0.5
253.05083	1.2
254.05826	2.1
255.06677	2.7
265.04922	0.9
267.06638	4.5
268.07217	0.7
269.04694	1.3
269.08200	21.4
270.08582	1.4
279.06812	0.6
281.08273	3.0
293.08231	0.8
295.06039	2.6
311.05524	0.9
313.07175	30.8
314.07468	2.0
339.05118	1.0
341.08966	0.9
355.08347	1.5
357.06165	44.4
358.06509	5.0
359.07736	1.5
391.11850	0.7
429.09619	0.6
447.10516	0.8
465.11771	3.2
473.09293	0.9
481.82419	0.5
491.19305	5.7
492.19974	0.9
509.10785	5.2
671.25604	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	671.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72387	0.4
53.76803	0.4
59.01393	0.9
69.26460	0.4
71.01389	0.6
71.66048	0.6
72.99300	1.7
88.78729	0.5
96.00966	0.4
100.94633	0.4
103.03439	0.4
105.03463	0.9
108.02186	2.0
109.02953	49.4
110.03273	1.4
121.02991	0.7
123.04507	5.4
131.05009	1.1
132.02182	1.4
133.02953	27.0
134.03282	0.9
135.04518	8.5
137.02419	0.9
139.04013	0.8
145.02946	1.1
146.03734	0.7
147.04521	4.7
149.02422	1.6
150.03253	0.9
151.04015	4.5
158.03711	0.8
159.04515	17.6
160.04970	0.8
161.02441	100.0
162.02753	3.8
163.03986	1.1
174.03310	0.7
175.03998	3.3
177.01929	1.0
179.03482	3.7
185.06117	0.5
191.03549	0.6
197.04515	1.2
198.04912	0.5
198.06804	0.7
203.03500	10.7
204.03903	0.6
223.07666	0.6
225.05721	0.8
227.07091	0.5
237.05508	0.9
247.02539	1.3
249.05785	0.5
251.07103	1.5
252.07646	0.6
253.05040	1.1
254.05832	2.5
255.06552	0.9
267.06693	3.0
269.08170	23.0
270.08447	1.6
295.06116	1.8
311.05783	0.8
313.07166	36.1
314.07492	3.3
357.06155	39.5
358.06509	3.1
359.07785	1.4
433.05032	0.5
465.12338	0.7
473.08789	1.3
491.19431	0.9
507.43225	0.5
509.10773	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	671.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27765	0.3
65.61233	0.2
70.05219	1.0
72.99307	14.0
95.05007	0.3
98.20544	0.4
105.03458	0.4
107.05009	0.5
109.02287	0.4
109.02959	3.5
117.03477	1.0
121.02978	1.1
123.03611	0.3
123.04519	6.6
132.02179	1.1
133.02960	21.2
134.03557	0.5
135.04526	25.8
136.04874	1.0
141.79393	0.2
145.02959	0.9
147.04520	0.3
149.01273	0.4
149.02451	6.5
149.03587	0.5
150.03241	2.8
151.04013	1.6
155.05663	0.2
159.04507	0.5
161.02441	100.0
162.02780	4.5
173.02414	0.7
174.03221	1.4
177.01945	0.7
178.02673	0.2
179.03493	19.9
180.03835	0.8
197.04547	21.4
198.04936	0.8
201.02005	0.6
209.06064	0.5
211.07755	0.5
221.06076	0.4
222.06787	0.3
223.02512	0.3
237.05620	0.5
238.06421	0.3
239.07149	0.7
245.21576	0.3
246.85181	0.3
249.05580	0.8
250.06258	0.6
254.05693	0.4
255.06612	0.9
265.04913	0.5
266.05780	0.7
267.06613	11.3
268.07071	1.0
282.05396	0.4
283.06110	4.2
285.07339	0.3
293.04382	0.3
311.05606	20.0
312.06033	1.9
313.07205	1.9
329.06641	3.5
337.03549	0.7
341.06802	0.5
347.07687	0.6
357.06125	0.4
359.07715	36.0
360.08002	3.0
491.09659	1.7
509.10886	19.2
510.11267	2.4
521.11353	0.4
671.13940	1.1
671.39972	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	671.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35514	2.9
72.99313	11.4
82.90864	0.3
93.03477	0.5
109.02949	3.3
117.03458	0.3
121.02969	1.4
123.04526	5.6
124.04849	0.4
132.02197	0.6
133.02962	20.5
134.03606	0.6
135.04532	20.3
136.04871	1.0
145.02950	0.7
149.02457	8.5
149.03593	0.7
150.03250	5.9
151.04019	0.7
161.02448	100.0
162.02800	4.5
174.03235	0.6
177.01883	0.8
178.02643	0.5
179.03491	13.7
180.03827	0.9
197.04546	15.4
198.04932	1.0
201.01859	0.3
223.02551	0.4
239.07135	0.7
249.05595	0.7
250.06242	0.6
255.06589	0.3
265.04791	0.5
266.05869	0.4
267.06619	7.4
268.07135	0.7
283.06253	1.7
288.21078	0.3
311.02002	0.5
311.05609	11.2
312.06149	1.7
313.07166	4.0
337.03638	0.5
352.87164	0.4
358.07257	0.3
359.07721	37.4
360.08096	4.3
384.73462	0.3
446.16324	0.4
491.10303	0.6
509.11121	0.8
521.10876	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	671.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39078	0.2
59.01381	0.4
59.35582	0.2
63.02401	0.3
65.00309	0.3
67.01898	0.2
71.01385	12.4
75.42739	0.2
78.01129	0.3
89.00336	1.4
91.01890	0.7
92.19165	0.2
92.82352	0.2
95.01396	0.3
96.95999	1.5
98.20693	0.6
105.77755	0.2
106.00597	1.5
109.02958	5.3
110.03336	0.3
111.00892	0.7
115.00385	7.7
121.02960	29.1
122.03266	0.9
123.00885	1.7
123.04513	0.3
127.00369	0.5
133.01479	0.4
133.02942	1.3
135.04521	0.8
136.98831	0.5
137.25003	0.2
138.03239	1.9
139.00343	0.6
147.04547	0.6
153.05580	23.2
154.05913	0.7
159.04539	1.6
161.02408	0.7
163.03935	0.3
165.02000	0.4
166.99832	1.2
177.01886	0.5
179.03506	0.3
182.02214	4.8
183.02631	0.3
197.04549	100.0
198.04893	4.6
203.03503	1.0
237.05437	0.2
251.07066	0.3
267.06540	0.4
269.08215	2.4
283.06369	0.3
311.05664	0.4
312.06042	0.4
313.05536	5.8
357.06131	3.8
358.06433	0.6
361.14694	0.3
378.82867	0.3
409.85800	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	671.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92899	0.4
70.06272	1.3
70.06692	0.6
72.99312	21.3
82.47487	0.3
89.03966	0.9
95.05025	0.5
98.19979	0.4
107.05006	0.4
109.02962	5.4
117.03475	2.2
119.05035	0.4
121.02964	2.5
123.04535	8.1
132.02177	1.2
133.02965	23.5
134.03305	0.6
135.04533	21.4
136.04889	0.8
145.02969	1.6
149.02449	7.4
150.03259	4.2
151.04097	1.8
161.02455	100.0
162.02786	4.0
173.02449	1.1
174.03226	2.2
179.03510	18.1
180.03825	0.9
197.04558	25.0
198.04910	1.0
201.01926	0.7
208.05292	0.4
208.24765	0.4
209.06154	0.5
211.07793	0.4
214.64191	0.4
228.41232	0.4
237.05621	1.2
239.07108	0.9
249.05492	0.6
250.06355	1.2
254.05853	0.7
255.06541	2.0
265.04987	0.7
266.05838	0.9
267.06635	10.3
268.07037	0.9
283.06116	7.3
284.06580	0.6
285.07767	0.6
311.05621	22.5
312.06097	1.8
313.06937	0.4
329.06659	8.0
330.06949	0.8
347.07730	0.6
359.07730	33.5
360.08118	2.0
476.13861	0.4
491.09903	1.4
509.10892	18.6
510.11285	2.1
521.10883	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	669.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69810	2.2
59.01376	12.5
61.98833	22.9
69.50909	15.4
69.51313	4.0
71.01373	8.3
72.99297	4.4
81.03497	2.3
85.02955	4.9
91.01821	2.4
93.03458	6.8
98.20604	5.3
101.02441	4.0
108.02184	100.0
109.02968	67.8
110.03255	3.1
110.70978	2.3
113.02425	6.4
119.05019	6.3
120.04510	2.6
121.02969	5.6
123.04476	2.4
126.15145	2.0
129.03441	5.4
133.02963	9.1
134.03711	3.1
135.04527	25.5
136.01591	4.9
137.02434	7.4
137.64905	2.3
145.02921	10.9
146.03755	23.0
147.04529	39.8
148.04808	2.7
151.04004	8.8
152.01152	79.2
153.01939	36.3
157.02811	2.5
158.03687	3.9
159.04529	21.3
161.02451	19.2
161.06104	5.6
162.02762	2.9
163.03998	8.0
173.02405	6.4
175.03981	2.9
179.03525	9.0
181.05008	2.4
187.04016	3.2
189.01892	3.7
190.96107	3.0
191.03467	4.4
197.04485	3.9
199.04008	3.6
203.03477	11.8
206.59879	2.5
224.04631	3.5
227.03436	6.7
228.04051	2.9
229.01376	12.1
237.05562	7.8
238.06332	4.2
239.03484	2.6
239.07135	2.4
240.04256	3.1
241.04997	3.9
248.04846	2.8
249.05788	4.6
250.06143	3.3
252.04463	2.3
253.05206	5.1
265.05032	17.9
266.05795	44.1
267.06528	18.1
268.07285	5.3
269.08112	3.9
277.05005	6.3
281.08286	12.9
283.09778	8.4
292.06763	2.4
293.04572	9.1
294.05380	25.6
295.05872	3.1
305.05215	2.4
309.04434	4.0
309.07684	19.5
311.05603	6.8
313.07202	4.2
315.07324	17.9
353.02502	4.8
353.06638	66.5
354.07071	5.8
357.06204	5.8
357.13278	4.5
358.13666	8.0
421.15891	2.4
445.09329	5.2
463.10175	3.2
489.08313	3.1
503.11591	2.6
507.09296	12.2
546.14215	2.9
547.11005	48.1
548.11487	3.4
581.16724	5.2
625.15680	39.1
626.15741	7.0
669.14545	84.6
669.24231	7.1
670.14734	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	669.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.3
69.39701	5.0
69.40111	1.5
78.95905	1.6
84.24366	0.6
89.26382	0.6
98.19835	1.2
109.02917	0.7
117.03462	18.6
118.03738	1.0
118.06245	0.8
119.05033	8.1
121.02964	1.4
133.02946	0.8
145.02951	65.8
146.03311	2.1
147.67346	0.7
163.04005	6.3
319.61508	0.7
474.58734	0.9
513.31915	0.8
522.50183	0.7
589.38855	1.6
615.36761	2.0
633.37952	100.0
634.38293	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	669.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.8
61.98818	6.8
69.45668	14.4
71.01374	9.8
72.99300	3.7
73.02946	3.1
81.03474	2.5
85.02940	7.8
88.98802	2.7
89.02434	3.0
93.03442	3.9
95.01369	3.6
97.02950	2.6
101.02443	5.4
108.02174	100.0
109.02964	58.8
110.03291	2.1
110.89676	1.9
113.02454	5.1
119.05006	5.6
121.02932	4.8
123.00880	2.6
123.04517	7.8
125.02441	3.2
129.03447	4.8
133.02933	6.2
135.00865	2.0
135.04524	16.9
137.02409	8.4
145.02953	12.5
146.03723	24.1
147.04530	44.0
149.02423	2.9
151.03979	3.4
152.01149	87.3
153.01936	40.7
158.03752	5.3
159.04506	27.4
161.02454	14.3
161.06015	8.5
162.03111	2.1
163.04063	9.1
173.02446	5.9
173.63423	1.8
175.04008	4.3
177.01845	2.5
179.03499	5.0
187.03943	2.3
189.01784	3.7
203.03490	7.2
209.05984	3.5
221.06020	2.7
221.57440	1.7
227.03485	3.5
229.01389	14.9
230.24680	1.8
237.05486	6.1
238.06407	5.2
239.07066	1.8
240.04271	4.2
247.79109	2.0
248.04617	2.3
249.05479	8.2
250.06165	4.5
252.04219	3.3
253.05023	6.0
255.06323	2.0
265.05035	19.2
266.05838	44.4
267.06491	16.2
268.07294	7.3
269.08084	4.3
269.11816	1.7
276.04285	2.0
277.05026	8.1
278.05435	2.1
281.05063	3.0
281.08212	17.9
283.09714	9.7
293.04596	11.7
294.05310	19.1
295.05923	4.9
308.06854	2.8
309.07605	21.5
311.05713	5.3
313.07086	3.9
315.07275	14.6
316.07657	2.0
325.06927	2.1
327.08536	2.2
339.05032	5.1
353.06644	72.3
354.07056	8.5
357.06067	5.5
383.08145	2.6
401.10101	4.9
413.09485	1.9
427.08188	4.7
445.09317	5.4
449.59311	1.9
463.10028	3.4
471.07141	2.8
507.09146	6.9
547.10913	60.4
548.11066	4.7
581.16779	3.4
625.15588	39.5
626.15607	9.5
651.13470	4.3
669.14532	95.4
669.23236	4.2
669.32703	2.9
670.15259	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	669.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95589	0.7
59.01379	1.1
72.99325	0.8
75.33107	0.6
77.70280	0.7
81.03453	1.0
81.76842	0.6
91.01884	1.1
93.03455	1.6
97.41197	0.5
105.03485	0.8
108.02183	3.0
109.02956	91.4
110.03309	2.8
115.05563	1.1
117.03436	1.5
119.05038	1.0
121.02945	3.8
123.04533	2.5
129.03534	0.9
131.05043	2.1
132.02226	0.7
133.02959	12.0
135.04529	14.0
137.02466	1.7
139.04022	1.9
145.02945	7.3
146.03767	4.5
147.04526	11.3
149.02425	10.4
150.03246	3.3
151.03992	2.0
157.03023	1.0
158.03717	1.9
159.04520	33.0
160.04953	1.6
161.02448	24.8
162.02812	1.8
163.03990	1.5
173.02477	3.6
174.03285	4.4
175.04012	8.6
179.03479	7.8
185.02440	0.8
185.06204	0.7
191.03482	2.0
193.06595	0.8
196.05281	0.7
198.06790	0.7
199.07637	1.0
201.01955	0.8
202.02765	0.7
203.03491	23.5
204.03889	1.5
206.99773	0.7
209.06038	1.9
211.07539	0.7
212.04834	0.8
221.06035	1.9
222.06827	1.1
223.07664	1.7
225.05620	1.6
227.07169	1.6
229.01453	5.1
233.06062	0.8
237.05556	4.3
238.06262	1.1
239.07138	2.4
241.05045	1.0
247.02386	1.4
248.04704	0.8
249.05617	2.8
250.06314	2.8
251.07120	3.4
252.07848	0.8
253.05014	2.3
254.05803	4.9
255.06622	6.5
256.07159	1.1
263.07013	1.1
265.04993	2.6
266.05811	1.4
267.06607	15.8
268.07059	3.0
269.08194	34.4
270.08502	2.8
277.05023	2.1
281.04620	0.9
282.05405	0.9
283.06186	8.2
285.07468	0.8
293.04602	1.5
295.06076	4.9
296.06415	1.0
309.03955	3.5
310.04401	0.8
311.05612	35.4
312.05966	3.4
313.07187	19.8
314.07489	2.6
335.05750	1.0
339.01001	1.3
339.05084	17.9
340.05377	1.3
357.06158	100.0
358.06464	9.3
401.10233	5.8
402.10394	0.8
445.09280	13.8
446.09763	1.6
489.08295	10.5
490.08554	1.2
507.09470	0.9
519.09100	3.9
645.35236	0.8
662.41809	0.7
669.12653	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	669.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56395	0.4
52.29726	0.4
59.01383	1.2
61.98835	1.0
65.00266	0.4
65.03966	0.6
66.29208	0.4
69.84509	0.8
69.84901	2.1
71.01359	0.5
72.99314	1.5
81.03458	0.5
89.02460	0.4
91.01859	0.6
93.03470	1.8
95.01363	0.5
95.05013	0.5
108.02171	3.4
109.02954	100.0
110.02641	0.5
110.03281	3.0
115.05558	2.0
117.03478	0.9
119.05029	1.7
121.02934	3.4
123.04516	2.7
124.01735	0.6
129.03474	1.2
130.04236	0.7
131.05000	3.6
132.02240	0.7
133.02954	12.6
134.03387	0.4
135.04521	14.0
137.02409	1.3
145.02931	3.4
146.03775	2.9
147.04527	8.7
149.02443	9.7
150.03229	8.8
150.06853	2.4
151.03993	2.1
158.03784	2.4
159.04517	36.7
160.04887	2.1
161.02443	27.3
162.02800	1.6
163.03999	1.0
164.08478	0.5
173.02463	1.8
174.03227	2.4
175.03984	7.9
176.04358	0.7
177.01990	0.5
179.03493	6.1
179.10782	0.6
185.06117	0.5
189.01909	0.9
191.03484	3.9
197.04532	1.1
197.06108	0.7
198.06668	0.5
199.07626	1.0
201.01932	0.7
202.02744	0.8
203.03497	31.0
204.03853	2.0
209.06039	1.2
211.07700	1.2
214.54053	0.4
221.06166	1.0
223.07559	1.2
224.04834	0.7
225.05574	1.7
226.06241	0.6
227.03551	0.5
227.07056	0.8
237.05537	2.8
239.07149	1.6
241.04907	0.7
241.08632	0.8
247.02437	1.0
249.05452	1.1
250.06319	1.4
251.07080	3.2
252.07925	0.8
253.05040	3.1
254.05849	4.7
255.06610	4.5
264.04327	0.7
265.05112	1.3
266.05811	1.0
267.06638	12.6
268.07245	2.8
269.08182	33.9
270.08572	2.3
277.04984	0.7
280.03607	0.5
281.04544	2.5
282.05225	0.6
283.06134	4.9
285.07724	0.5
291.03040	0.7
293.04517	0.8
295.06061	2.8
309.04007	6.0
310.04605	1.2
311.05600	25.7
312.06128	4.0
313.07156	61.8
314.07504	5.4
327.21664	0.9
339.05267	1.9
357.06140	72.7
358.06427	6.1
359.07535	0.7
401.10312	1.0
445.09256	12.4
446.09564	1.5
463.10538	0.7
475.10205	0.9
489.08438	0.5
502.19717	0.6
507.09268	3.4
507.32953	2.0
508.10812	0.4
519.09119	3.1
520.09314	0.7
625.13440	0.6
666.58258	0.5
669.12622	2.8
669.38812	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	669.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32841	0.7
62.55354	0.6
66.59993	0.6
68.59954	0.6
68.90108	0.6
69.37032	0.6
93.03458	1.4
93.99368	0.6
96.06593	0.6
98.20649	1.2
108.02187	3.1
109.02953	100.0
110.03299	2.2
115.05518	1.1
119.05006	0.9
120.72046	0.7
121.02940	2.6
123.04517	2.1
125.87431	0.7
129.03487	0.7
130.04283	0.8
131.04996	1.9
132.02196	0.7
133.02959	11.2
135.04518	10.1
135.05475	0.8
145.02916	3.2
146.03694	2.4
147.04524	7.3
149.02451	8.9
150.03232	7.0
151.03967	1.2
158.03708	2.6
159.04514	36.8
160.04965	1.8
161.02444	19.8
162.02914	1.2
163.04053	1.0
173.02444	2.8
174.03169	3.8
175.03992	6.9
179.03517	4.9
186.60101	0.7
191.03494	2.4
198.06721	0.7
199.07693	0.9
202.02757	0.9
203.03493	29.3
204.03836	1.4
209.06004	1.1
223.07658	0.8
225.05548	1.2
236.04605	0.7
237.05504	3.6
239.07188	1.8
241.08669	0.8
247.02478	2.0
249.05537	0.9
250.06213	1.3
251.07118	3.8
253.05089	2.2
254.05789	5.2
255.06602	3.6
265.05081	0.9
266.05844	1.4
267.06622	14.2
268.07150	3.0
269.08188	34.8
270.08533	2.5
270.39371	0.8
283.06125	7.1
295.06146	1.5
311.02017	1.2
311.05609	26.7
312.06024	3.6
313.07178	46.5
314.07474	2.7
357.06146	67.9
358.06345	6.3
358.09622	0.6
367.85507	0.7
401.10071	0.9
445.09293	12.8
446.09604	1.6
489.08542	1.8
490.52588	0.8
519.09393	1.8
546.19086	0.9
669.13312	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	669.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68676	0.4
59.01374	0.9
69.41712	1.8
69.42132	1.5
72.99315	1.0
74.64169	0.4
86.48967	0.4
87.75504	0.6
93.03449	2.1
95.01373	0.9
95.05050	1.4
102.89666	0.5
105.03436	0.5
109.02953	7.9
116.92928	0.7
117.03469	0.7
121.02952	9.5
122.03758	4.9
123.04528	70.7
124.04887	2.1
132.02180	1.6
133.02959	23.3
134.03517	0.4
135.04524	22.5
136.04834	0.8
137.02466	1.9
139.03996	2.4
145.02965	1.7
147.00885	1.5
147.04453	0.7
149.02451	18.7
150.03229	7.3
151.04037	2.3
154.02779	0.8
159.04503	2.1
161.02444	100.0
162.02782	4.2
163.04028	1.2
173.02473	1.3
174.03192	1.7
175.04024	2.3
177.01901	4.5
179.03503	20.3
180.03812	0.8
193.01465	2.6
194.02225	3.3
195.02983	23.3
196.03328	1.3
197.04494	0.8
201.01965	0.7
203.03444	0.8
209.06056	0.7
211.07669	0.9
221.00951	1.0
221.06085	0.5
222.06734	0.5
237.05573	0.8
239.07115	1.0
249.05473	0.6
250.06311	1.3
253.05148	0.7
255.06564	1.6
265.05075	0.8
266.05838	0.8
267.06598	17.8
268.07071	1.9
269.08188	1.6
281.04446	0.7
283.06104	4.1
285.07700	9.0
286.07925	1.0
293.04660	1.4
309.04111	0.5
311.05606	23.5
312.06018	3.6
313.07181	7.3
314.07700	0.6
327.05273	0.9
339.05060	0.7
341.06689	1.7
345.06009	1.1
357.06158	22.9
358.06412	2.6
359.07764	1.7
367.46057	0.5
417.09924	0.9
491.09729	1.6
507.09293	29.2
507.33005	0.6
508.09644	4.6
538.37128	0.5
669.38483	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	669.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25198	2.1
54.19062	2.2
58.02987	4.2
59.01376	8.9
61.98808	4.3
63.30664	2.4
71.01389	4.8
71.62797	3.7
72.99317	23.9
85.02914	3.2
93.03463	34.8
101.02419	3.4
108.02168	7.4
109.02959	26.9
118.03336	3.9
123.04518	7.8
133.02936	10.8
133.05359	2.3
134.03629	2.4
135.04515	37.1
137.02446	32.8
145.02953	7.0
146.03735	3.9
147.04521	10.5
149.06133	2.8
150.03033	2.3
151.04036	5.4
152.01157	5.4
153.01881	3.5
154.86583	2.3
159.04492	13.8
161.02463	27.7
161.06090	8.5
163.03975	6.3
171.04576	3.6
173.06116	14.4
175.03955	6.4
179.03561	13.3
187.04016	2.9
189.01921	3.1
194.53470	2.5
197.06070	4.7
198.03215	6.3
199.03976	8.3
202.94574	2.6
203.03481	6.2
209.06053	7.3
211.04019	15.5
212.04741	4.7
213.05527	4.3
216.04337	3.2
217.05028	3.8
221.06172	4.2
223.07568	3.4
224.04787	7.8
225.05539	17.3
226.02698	7.1
227.03500	94.2
227.06937	3.6
228.04065	9.3
229.05060	7.3
235.04068	4.9
236.04749	5.3
237.05466	11.2
239.03577	11.3
240.04282	49.3
241.05029	30.9
242.05652	3.5
247.02443	3.7
248.04610	4.6
249.05511	9.9
251.03526	7.1
251.07089	7.4
252.04245	6.5
253.05061	60.4
254.05708	11.1
255.06573	15.0
261.05533	8.3
262.06137	3.2
263.03397	4.2
264.04169	8.7
265.05063	51.0
266.05780	13.2
267.06555	8.1
269.04572	3.7
269.08005	5.3
277.05109	17.7
278.05814	10.6
279.06900	21.0
281.04504	4.0
291.06546	14.2
292.07224	3.0
293.04599	3.4
297.04056	10.3
309.04099	6.7
310.10760	6.2
311.05429	3.1
313.07404	4.4
323.05350	3.0
335.05469	4.0
339.05304	3.9
341.08679	4.6
345.11359	2.9
346.08142	2.7
353.07108	5.6
355.09756	4.8
357.06241	4.9
371.09216	6.6
373.10666	14.6
374.07928	8.9
375.08566	9.6
381.76505	2.3
383.09348	11.4
384.09903	2.9
385.06918	3.1
386.07935	3.3
387.08926	3.3
387.16208	2.8
389.10300	25.4
390.10403	3.5
399.08597	3.4
401.10284	78.1
402.10626	9.9
419.11334	3.5
427.08322	18.4
428.08621	3.1
433.08942	3.2
445.09204	46.8
446.09729	5.4
463.10364	79.4
463.24969	3.3
464.10733	8.9
471.07050	5.4
475.62332	2.9
489.08255	17.0
507.09293	100.0
508.09741	14.0
625.14935	3.9
652.19934	2.5
669.13605	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	667.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67509	0.6
55.01878	4.3
55.62230	0.5
57.03453	3.9
58.00583	2.0
59.01381	23.5
60.99298	2.1
61.98812	1.9
68.99813	0.6
69.03477	0.8
69.71883	1.7
69.72311	1.9
70.06867	0.5
71.01384	44.8
72.01726	0.8
72.99300	2.3
73.02949	14.8
75.00867	1.3
81.97480	0.6
83.01390	10.3
84.54597	0.5
85.02955	25.2
86.00084	1.8
87.00871	2.0
89.02431	6.6
95.01389	4.1
97.02909	1.4
99.00877	7.1
101.02444	35.9
101.58118	0.5
109.02952	0.7
111.00878	1.6
113.02453	18.9
119.03474	1.8
125.02451	0.7
129.01900	1.1
133.02962	1.3
135.04498	2.4
143.03558	1.2
145.02985	1.2
159.02965	4.4
159.04160	0.8
161.02530	3.9
161.04547	16.2
177.01804	0.7
179.03523	1.6
179.05585	0.6
225.05583	0.6
227.03412	0.5
232.80586	0.5
235.03979	0.6
263.03641	0.6
267.06693	0.8
281.04352	0.7
283.05927	0.7
290.96667	0.5
291.03015	0.8
307.02292	1.0
311.05478	3.8
346.61908	0.6
355.04538	1.0
401.38803	0.8
441.34299	0.7
449.02313	0.6
455.50217	0.6
605.40564	17.6
606.40826	4.0
623.41669	8.5
624.41394	1.5
667.40631	100.0
668.40991	20.9
668.52466	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	667.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13432	0.5
58.00596	1.4
59.01089	0.7
59.01382	12.0
61.39006	0.5
61.98824	2.1
71.01384	15.6
71.05023	1.3
71.11556	0.9
72.99304	1.3
73.02931	0.5
79.23542	0.6
83.01392	1.1
85.02915	0.8
87.00868	0.9
89.02448	20.9
89.93869	0.5
95.01397	0.5
99.28215	0.5
101.02444	10.2
104.92815	3.0
113.02456	5.6
119.03496	3.8
131.03494	1.6
140.29546	0.6
143.03510	2.2
149.04567	1.2
161.02391	0.7
161.04523	2.6
163.07635	0.6
179.05624	13.3
180.05934	0.7
251.98022	0.6
301.02991	0.5
329.68054	0.5
367.01797	0.6
427.32086	1.5
437.30389	0.7
443.35080	0.6
467.31812	2.6
469.33157	10.9
470.33441	1.6
487.34308	100.0
488.34662	16.5
537.35944	0.6
664.91125	0.6
667.26166	1.7
667.39166	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	667.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
59.01089	1.1
59.01376	17.7
59.98303	0.6
61.98832	3.9
69.56329	1.5
69.56750	3.1
71.01384	20.6
72.75262	0.6
72.99304	1.7
74.09233	0.7
78.95884	1.1
83.01357	1.2
85.02945	1.8
87.00854	1.0
89.02442	27.5
101.02442	10.1
103.57641	0.8
104.92801	0.9
113.02464	5.3
117.83775	0.6
119.03507	5.1
125.52409	0.6
130.64464	0.7
131.03508	1.6
134.53140	0.6
143.03493	3.1
149.04495	1.4
152.99588	2.0
161.02350	0.6
161.04552	3.0
179.05615	13.8
210.50418	0.7
444.73538	0.6
487.34274	100.0
488.34616	15.7
488.41513	1.3
667.40601	0.7
667.81110	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	667.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52260	1.6
50.93348	1.5
51.42574	1.6
59.01381	100.0
61.98828	5.5
71.11497	1.7
71.63008	2.3
78.95901	2.4
82.74824	1.9
89.02437	2.9
152.99591	2.5
161.02460	3.0
173.02986	2.0
311.05704	3.0
412.93927	1.7
474.91379	1.7
487.34253	12.7
589.37231	2.3
667.30072	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	667.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.9
59.01381	19.2
59.26914	0.9
69.03458	2.0
69.30372	8.8
71.01384	10.9
71.65806	0.9
72.99310	2.1
73.02967	1.1
75.00869	1.1
83.01379	1.1
85.02953	2.0
85.06586	7.0
87.00844	1.2
89.02443	11.1
95.01405	1.8
97.02942	7.9
98.20606	2.1
100.00404	1.3
101.02444	9.3
102.59261	0.8
113.02418	4.5
113.06097	2.0
116.92835	0.8
119.03502	3.7
119.04987	6.5
121.02935	1.1
125.02448	58.1
126.02783	2.2
127.07603	1.6
131.07143	30.4
131.08133	1.6
132.07449	1.7
135.02998	2.6
135.04500	2.1
137.02513	1.4
138.32175	0.8
143.03494	0.9
161.02470	1.0
161.04657	1.3
163.04012	7.0
167.13918	1.2
179.03519	1.7
197.04575	1.6
199.88123	0.9
201.10495	0.8
203.05521	0.9
205.29854	0.8
207.70486	0.8
254.06467	1.2
255.06883	1.1
264.02460	0.9
293.12418	100.0
294.12753	6.7
296.05377	0.8
303.04788	1.2
309.03989	1.4
311.05573	1.3
329.08728	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	667.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77522	0.3
59.01371	0.9
61.98845	0.3
65.10657	0.3
71.01381	0.9
71.05233	0.7
72.99312	7.8
87.00127	0.3
91.05534	0.3
93.03461	0.5
101.02494	0.4
109.02966	0.6
117.03490	3.1
118.19794	0.2
119.05032	3.4
121.30761	0.3
123.04545	3.0
126.27658	0.3
132.02176	1.5
133.02966	20.7
134.03828	1.8
135.04532	25.4
136.04865	1.1
137.02481	0.5
141.00453	0.2
145.02954	12.8
146.03293	0.3
159.04468	0.3
160.01685	1.7
161.02449	100.0
162.02782	3.7
163.04002	3.1
179.03503	13.7
179.05112	0.5
180.03854	0.7
181.04933	0.3
187.03802	0.4
197.04561	7.8
205.05127	0.3
223.02539	0.5
227.03473	0.4
237.05386	0.3
267.06686	0.6
285.36728	0.3
305.06808	0.5
306.32370	0.3
307.08264	5.8
308.08762	0.4
311.05554	2.1
323.07730	2.4
355.04633	1.3
359.07693	16.9
360.08197	1.7
443.08032	0.5
443.13068	1.6
469.11389	35.6
470.11673	5.1
487.12271	1.4
505.13617	0.7
521.13080	1.0
530.81061	0.3
667.16736	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	667.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98833	1.4
61.99158	0.7
68.62153	0.5
69.30752	4.9
71.01383	2.3
71.91266	0.6
72.99310	52.5
85.02979	0.9
96.96016	1.2
105.03476	0.7
107.05013	1.1
109.02935	3.2
113.02434	0.9
117.03471	7.1
119.05035	5.5
123.04531	18.6
132.02148	1.5
133.02963	24.1
134.03720	2.3
135.04529	52.3
136.04846	1.6
145.02956	40.1
146.03305	1.9
151.04002	1.9
161.02443	59.6
162.02791	2.1
163.04034	5.1
163.32440	0.7
163.57651	0.7
175.03958	0.8
179.03497	43.9
180.03864	1.3
197.04552	55.6
198.04895	2.4
205.05103	0.7
227.03429	1.0
267.06570	3.1
307.08231	11.4
311.05585	1.7
323.07526	1.0
359.07788	6.6
360.07809	0.6
469.11536	5.3
470.11908	0.9
487.12457	1.3
504.34488	0.8
505.13531	100.0
506.13864	14.5
521.13129	2.8
667.16522	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	667.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36494	0.3
59.01376	0.9
61.98855	0.4
65.15993	0.4
71.01379	0.8
71.64427	0.5
72.99307	19.2
73.02946	0.4
75.00877	0.5
83.01390	0.7
85.02957	0.5
87.29082	0.4
95.90437	0.4
96.62372	0.4
101.02420	0.8
107.05016	0.4
109.02919	2.5
113.02435	0.4
117.03455	1.5
119.05027	1.5
121.02987	0.4
123.04529	6.2
133.02969	4.0
134.03601	0.4
135.04524	19.3
136.04837	0.7
137.49263	0.3
144.99168	0.3
145.02969	5.9
149.02417	1.5
151.03979	1.1
155.04958	0.5
161.02446	12.0
162.02710	0.7
163.04016	1.3
171.04478	0.9
179.03496	18.4
180.03841	0.9
183.04524	1.1
183.08253	0.4
193.06572	0.8
196.05272	1.0
197.04547	31.1
198.03227	0.6
198.04895	1.3
199.03981	3.0
202.02660	0.4
209.06023	2.2
210.06660	0.6
211.04042	4.8
211.07625	1.1
212.04601	0.9
213.05609	0.4
219.04544	0.4
220.05232	0.5
221.06158	1.7
224.04758	2.8
225.05551	2.7
226.02678	0.9
226.06346	0.6
227.03493	30.8
228.04251	13.5
229.04663	1.3
232.05391	0.6
236.04640	0.4
237.05580	4.2
238.06300	1.9
239.03502	1.2
239.07184	3.5
240.04265	10.3
241.04967	2.0
248.04692	1.9
249.05569	4.1
250.06281	1.1
251.03464	0.5
252.04254	1.1
253.04964	1.0
254.05756	1.7
255.06671	2.0
264.04153	0.8
265.05038	4.3
265.37280	0.3
266.05740	1.5
267.06619	16.3
268.03812	0.9
268.07007	1.1
269.04553	1.4
281.04501	1.3
282.05194	0.9
283.06125	4.2
284.06598	0.5
293.04578	2.5
294.05252	0.5
307.08188	1.1
309.04077	3.0
310.04776	1.5
311.05609	100.0
312.05911	9.4
355.04596	11.9
356.04950	1.3
359.09848	20.8
360.10059	2.1
443.07648	1.1
456.27597	0.4
473.08618	0.6
505.13525	34.9
506.13803	5.4
521.12817	0.5
667.29590	0.6
667.39954	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	667.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
61.98812	0.6
62.03710	0.4
69.47217	2.2
69.47631	0.9
71.01380	1.0
72.99307	62.9
73.08861	0.3
73.99653	0.6
75.00880	0.5
75.16082	0.3
93.03420	0.9
93.39225	0.4
101.02441	0.5
104.02118	0.4
105.03429	0.4
105.50696	0.5
107.05022	1.0
109.02947	2.2
113.23428	0.4
113.99458	0.4
117.03461	5.0
119.05022	3.3
121.02966	1.1
122.03758	0.4
123.04523	19.8
124.04878	1.0
132.02133	1.0
133.02008	0.7
133.02957	10.6
134.03784	1.7
135.04523	50.3
136.04831	2.1
137.02437	0.9
138.02797	0.3
144.58649	0.4
145.02951	20.8
146.03343	0.9
150.03151	0.4
151.03995	2.6
157.21001	0.4
159.04527	0.6
161.02440	28.1
162.02785	2.4
163.04022	3.0
164.04326	0.4
179.03490	44.6
180.03888	2.1
197.04541	97.8
198.04860	4.6
239.05623	1.0
241.04965	0.4
263.03482	0.6
266.72266	0.4
267.06558	0.8
307.08179	5.0
309.03998	1.1
311.05560	1.6
333.07828	2.1
333.58047	1.8
334.08322	0.4
335.02042	1.2
341.08810	0.9
355.04633	0.5
359.09851	70.5
360.10220	5.9
443.13492	1.1
458.13004	0.4
486.33286	0.5
487.12653	0.7
503.33765	1.6
504.34146	7.7
505.13513	100.0
505.33389	1.8
506.13791	13.0
521.12891	0.9
667.16315	0.8
667.39282	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	667.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07741	0.2
59.01387	0.4
61.98819	0.2
62.41482	0.2
66.34909	0.2
71.01384	0.3
72.99311	0.8
74.04663	0.2
83.01403	0.2
96.96074	0.3
99.00873	0.2
105.42275	0.2
109.02958	1.3
112.72164	0.2
121.02966	0.3
123.04556	0.3
133.02983	2.1
135.04517	1.6
145.02960	0.7
149.02438	1.9
150.03093	0.3
155.05017	0.4
159.04489	0.3
161.02444	8.0
167.98091	0.2
169.06702	0.2
171.04631	0.5
173.02414	0.5
174.03232	0.4
179.03503	1.8
181.06606	0.3
183.04535	0.9
188.71951	0.2
193.06587	0.6
195.04443	0.3
196.05235	0.9
197.04460	0.9
197.06107	0.9
198.03204	0.7
199.04010	2.9
201.01970	0.3
202.02634	0.3
209.06065	1.6
210.03250	0.4
210.06752	0.4
211.03998	5.3
211.07535	1.3
212.04633	0.9
213.05602	0.5
220.05280	0.6
221.06136	1.2
222.06720	0.4
223.04134	0.3
223.07649	0.3
224.04744	2.5
225.05524	2.0
226.02696	0.9
226.06158	0.4
227.03496	27.9
228.04247	14.0
229.04671	1.1
232.05389	0.9
236.04834	0.3
237.05571	3.6
238.06259	2.1
239.03526	1.4
239.07129	3.1
240.04256	10.8
241.04932	1.8
248.04695	1.9
249.05534	4.4
250.06064	1.5
251.03435	0.3
252.04233	0.6
253.05070	1.4
254.05746	1.6
255.06651	2.1
263.03491	0.3
264.04196	0.6
265.05066	2.9
266.05798	1.9
267.06607	13.4
268.03754	0.9
268.07001	1.3
269.04587	1.0
281.04565	1.3
282.05310	0.9
283.06067	4.5
284.06482	0.5
293.04501	2.0
294.05289	0.8
308.03271	0.3
309.03934	2.3
310.04651	1.8
311.05600	100.0
312.05927	10.2
337.03494	0.5
353.02866	0.3
355.04581	9.8
356.04935	0.8
359.09741	0.7
443.07944	1.0
473.08722	0.6
487.12476	0.3
505.13455	1.2
613.55231	0.3
666.39886	0.3
667.39923	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	667.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
63.70297	0.4
68.68793	0.4
71.01369	0.5
72.99312	4.0
83.01395	0.8
92.81167	0.4
98.20607	1.5
109.02939	1.5
110.64841	0.5
117.03497	0.7
121.02882	0.4
123.04541	1.2
131.42815	0.5
133.02969	3.4
135.04520	5.2
135.20988	0.4
145.02954	2.6
149.02444	1.6
161.02455	10.2
162.02757	1.0
162.65065	0.5
163.04086	0.7
171.04501	0.5
174.03253	0.5
179.03505	5.4
183.04572	0.7
188.02983	0.5
196.05292	1.6
197.04562	8.7
197.06129	0.6
198.03136	0.8
199.04002	3.7
209.06099	1.9
210.03241	0.7
211.04013	4.1
211.07570	0.9
220.05289	0.5
221.06087	1.3
224.04788	2.8
225.05547	2.6
226.02626	0.9
226.06227	0.5
227.03508	31.6
228.04239	14.3
229.04604	0.7
237.05560	3.7
238.06245	1.7
239.03484	1.2
239.07144	3.8
240.04259	9.8
241.04912	1.7
248.04781	1.3
249.05569	4.5
250.06290	1.9
252.04105	0.5
253.05000	1.2
254.05812	2.0
255.06717	2.6
264.04114	0.5
265.05096	3.9
266.05670	2.2
267.06616	16.9
268.03677	1.3
268.06863	1.4
269.04495	1.2
281.04712	1.1
282.05191	0.7
283.06155	3.6
293.04517	2.2
294.05286	0.6
309.04065	2.8
310.04764	1.4
311.05612	100.0
312.05936	9.7
355.04620	8.5
356.04825	0.9
359.09869	4.2
360.10052	0.5
443.07764	1.3
505.13556	9.3
506.13922	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	666.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82668	0.3
59.01382	4.1
60.31472	0.3
61.98832	100.0
68.12135	0.3
69.32787	1.7
69.33212	1.3
71.01394	0.5
73.02953	0.6
83.01402	0.4
89.62517	0.4
96.96067	0.3
98.19772	0.6
101.02460	0.8
109.96609	0.3
116.92888	0.3
117.03494	0.4
124.78307	0.3
129.28683	0.4
133.02963	1.3
135.04532	1.7
145.02950	0.6
147.00876	0.4
149.02487	0.4
161.02457	4.0
162.02818	0.4
162.30190	0.4
166.84700	0.3
168.84657	0.4
179.03540	1.5
188.40231	0.3
297.98596	0.4
309.04175	0.6
311.05731	0.4
375.26990	0.4
387.26935	0.5
389.24924	0.7
397.25967	0.4
401.24826	0.5
405.28067	3.5
406.28275	0.5
417.28171	1.2
421.27338	0.7
435.29074	0.8
437.30643	9.3
437.36411	0.7
438.30899	1.1
444.01205	0.5
455.31732	3.0
469.29584	6.6
470.29883	0.8
481.29742	0.5
499.30664	17.3
500.31253	2.6
517.31726	7.5
518.32068	0.9
559.32819	0.7
667.40802	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	667.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74319	0.7
98.34408	0.6
100.15911	0.8
108.02163	1.4
109.02957	42.5
117.03485	1.0
118.26974	0.7
123.04547	1.1
131.05026	0.9
133.02997	5.5
135.04517	2.3
145.02937	7.2
146.03680	3.0
147.04489	2.1
159.04515	10.9
161.02464	3.6
163.03986	1.1
169.06650	0.9
173.02448	8.4
174.03235	14.1
175.03966	2.6
179.03493	1.5
181.05115	0.9
181.06593	1.6
183.04446	1.4
189.01993	0.8
191.03491	1.2
193.06665	1.2
195.04436	0.9
196.05293	1.8
197.06102	4.1
201.01904	1.2
202.02692	2.1
203.03505	7.4
207.04436	1.3
208.05197	2.0
209.06053	7.1
211.04039	1.9
213.05452	1.0
219.04456	1.9
223.04041	1.0
223.34380	0.8
224.04819	5.0
225.05577	9.8
226.06116	1.1
227.03566	1.6
227.07083	1.8
228.04208	1.3
235.04008	5.8
236.04649	2.7
237.05573	15.2
238.06010	2.4
239.03497	1.3
239.07097	1.3
240.04353	2.2
248.04643	0.9
251.03407	1.5
252.04341	3.6
253.05054	20.8
254.05768	7.3
255.06630	10.6
256.06876	0.8
263.03519	4.9
264.04370	4.0
265.05075	11.6
266.05734	2.5
267.03113	0.7
267.06570	2.6
269.08188	8.5
279.02969	1.5
280.03793	4.7
281.04556	22.7
282.05209	4.2
283.06122	25.5
283.56564	0.8
284.06372	2.6
291.03000	14.3
292.03665	5.4
293.04355	2.0
295.06165	1.0
309.04047	100.0
310.04623	15.7
311.05609	83.0
311.09509	0.9
312.05902	7.8
313.07224	5.2
348.47223	0.8
357.06165	14.7
358.06329	1.6
389.40198	0.9
649.76337	0.8
667.10449	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	665.3907
Annotation	Bellericoside
Peak:m/z	Relative Intensity
54.07694	0.2
55.01880	0.4
56.05252	0.3
57.03436	0.9
58.00579	0.5
58.75919	0.3
59.01382	13.1
61.98844	1.2
65.90959	0.2
71.01387	9.0
71.05029	0.6
72.01729	0.2
72.99308	6.6
73.02943	0.9
75.00872	0.3
83.01382	0.8
85.02951	2.2
87.00900	0.8
89.02447	5.5
93.03455	0.6
95.01370	0.8
96.95998	0.8
99.00891	0.4
101.02453	5.6
107.05003	0.3
109.02974	1.3
113.02448	2.5
116.92886	0.3
119.03489	1.2
119.05026	0.6
123.04540	1.9
127.10127	0.3
128.07230	0.3
133.02963	2.3
134.03769	0.4
134.06094	0.5
135.04533	6.6
137.02402	0.6
143.04613	1.0
145.02936	0.7
146.03754	1.4
146.04735	0.3
147.04535	1.5
150.03178	0.2
151.03963	0.4
158.03674	0.3
159.03156	0.3
159.04410	1.2
161.02443	5.9
161.04572	0.5
161.06036	0.3
163.04025	0.6
173.06026	0.3
175.04041	0.3
178.04709	0.3
179.03516	4.8
179.05269	0.5
179.05632	0.4
180.03850	0.4
187.11195	0.3
197.04549	8.0
198.04866	0.4
229.01431	1.2
253.09152	0.8
265.04929	0.8
266.05789	1.6
267.06506	0.9
268.07260	0.5
279.06616	0.4
281.08221	1.0
283.09711	0.8
293.09351	0.4
294.05283	0.7
309.07602	1.1
327.08755	1.4
353.06674	3.1
354.07007	0.4
359.10370	1.9
401.10925	1.5
413.08545	0.6
459.22458	0.4
462.35889	0.3
485.20282	1.3
503.14026	4.1
503.33801	17.0
504.14679	0.6
504.34180	2.7
521.13184	2.3
522.13135	0.8
543.13281	0.5
563.14050	0.9
621.18457	0.6
622.19049	0.3
665.16248	3.0
665.39050	100.0
666.39465	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	666.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98834	1.2
71.01408	1.0
72.99283	0.6
73.02953	1.2
75.45645	0.5
84.00924	1.0
85.02979	1.2
93.03455	2.7
101.02455	1.5
106.19588	0.6
109.00677	0.6
109.02961	1.0
109.31089	0.5
113.02486	1.1
117.03459	1.1
119.04988	0.6
122.07687	0.5
132.02179	8.9
133.03003	6.5
133.05341	43.1
134.03746	21.5
134.05797	1.1
135.04547	8.0
137.02470	0.9
145.02975	0.8
148.05273	0.7
149.02426	0.5
149.06082	10.6
151.03989	0.5
160.01659	39.1
160.04012	2.5
161.02446	90.2
162.02760	3.3
175.04001	48.1
176.04477	1.5
179.03471	1.2
193.05077	8.1
194.02130	0.7
197.04486	0.9
217.04982	0.6
219.05284	0.7
227.03510	1.0
234.07703	3.4
235.06116	1.0
252.07895	5.5
267.06647	0.6
283.09564	0.8
295.08517	11.3
296.08850	0.7
309.03998	0.7
310.10840	100.0
311.05566	1.2
311.11237	8.9
323.07779	0.7
328.11920	8.3
329.12106	0.8
337.09299	55.9
338.09528	3.6
572.17761	5.8
576.06836	0.6
632.45892	0.6
633.37994	0.8
648.20844	27.2
649.21075	6.0
665.39294	2.7
666.22314	3.0
666.39929	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	665.3905
Annotation	Cyclopassifloside VI
Peak:m/z	Relative Intensity
58.00589	0.6
59.01086	0.8
59.01381	12.1
61.98839	3.5
69.44040	4.1
70.73489	0.5
71.01384	9.8
71.89479	0.5
72.99311	4.0
83.01396	1.0
83.05015	3.2
85.02961	0.9
87.00899	1.4
88.98801	0.6
89.02443	14.6
96.96018	0.9
101.02450	6.3
104.92806	1.4
108.41100	0.6
109.02905	0.6
112.15829	0.6
113.02475	3.2
119.03511	3.6
131.03493	0.9
133.02934	1.4
134.03773	1.2
135.04524	1.4
137.02429	0.6
143.03481	1.1
149.04558	1.0
158.03749	0.5
159.04544	1.1
160.01689	0.5
161.02429	2.6
161.04538	1.7
172.05222	0.9
173.06111	0.7
174.06769	0.6
175.04034	0.7
175.07654	0.8
178.02710	0.9
179.03459	1.3
179.05621	7.5
187.07622	3.6
187.74387	0.5
201.05545	1.5
201.09232	0.9
202.06325	0.7
203.07082	1.2
213.09254	0.7
215.07132	2.0
218.09361	1.0
229.08661	2.3
230.09358	1.4
231.10228	1.9
247.09958	0.8
257.08173	2.5
274.08481	1.2
275.09250	3.1
293.10071	0.7
327.15958	1.4
355.26248	0.8
364.19678	0.5
371.14804	0.9
389.16190	2.2
407.16653	0.6
413.30588	1.0
421.31219	1.1
423.32541	0.7
437.30634	1.2
441.33939	0.8
455.31967	0.6
465.30151	0.9
467.31683	8.7
468.32114	1.4
485.32712	100.0
486.33093	15.4
503.22891	2.0
511.31122	0.6
665.24548	0.8
665.38464	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	665.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
57.03445	2.0
58.00583	3.3
59.01381	75.7
61.98815	3.7
69.42237	11.8
71.01387	63.4
72.99305	5.5
73.02943	14.1
75.00887	1.8
83.01380	8.0
85.02960	28.6
87.00884	5.2
87.04478	2.3
89.02443	26.9
95.01385	7.5
97.02927	1.8
99.00870	7.2
101.02451	32.3
111.00887	1.4
113.02447	27.7
116.92844	2.0
119.03486	7.7
125.02391	3.4
128.56360	1.6
131.03479	1.6
133.02960	1.8
135.04533	3.0
143.03467	5.8
145.02942	2.4
161.02431	4.1
161.04579	9.9
179.03468	2.6
179.05699	1.8
209.06595	1.4
307.02203	1.5
399.23978	10.0
417.25064	8.7
482.31564	1.7
561.29156	100.0
562.29645	13.8
579.30164	79.6
580.30365	11.7
621.31305	23.8
622.31531	4.2
665.28748	3.0
665.39160	22.7
666.40283	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	665.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
57.03448	4.3
58.00583	1.2
59.01382	97.9
61.98830	9.8
69.33466	12.2
71.01385	69.5
72.99319	5.3
73.02957	17.8
75.00874	2.0
81.03470	1.5
83.01395	8.9
84.51334	1.2
85.02953	25.9
87.00883	6.7
87.04519	2.1
89.02450	30.2
95.01395	7.2
97.03010	2.7
99.00886	6.9
101.02447	35.9
104.99556	1.4
109.02962	3.2
111.00864	2.8
113.02454	33.3
116.92872	2.6
119.03510	9.2
119.05013	1.8
125.02486	3.6
129.01939	2.8
131.03471	1.5
133.02985	2.0
135.04532	7.0
137.02428	1.5
143.03484	5.6
145.02917	2.7
149.04507	1.4
153.01973	2.9
159.03015	2.2
161.02440	4.3
161.04576	8.4
179.03517	2.7
179.05653	2.3
195.63983	1.4
196.22496	1.1
197.04720	1.8
214.94078	1.1
233.49883	1.3
303.73666	1.1
309.04266	1.6
311.05591	1.6
399.23911	8.6
417.25168	8.2
503.33511	2.5
561.29163	100.0
562.29456	13.7
579.30243	68.1
580.30615	11.5
621.31354	19.3
622.31567	5.6
625.66925	1.4
664.39178	2.5
665.39404	17.8
666.40198	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	665.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12531	1.7
55.01880	2.7
58.00595	2.7
59.01384	100.0
61.98838	2.5
69.03437	3.4
71.01387	65.4
71.62351	1.5
71.62746	2.0
72.99308	6.9
73.02953	11.4
75.00871	1.7
83.01370	8.3
83.56963	1.6
85.02946	21.4
87.00865	5.4
89.02450	43.2
90.02762	2.0
95.01376	5.8
97.02959	2.0
99.00888	3.8
101.02445	39.3
109.02930	1.7
109.06561	2.4
113.02456	39.4
119.03519	22.5
119.05003	3.5
120.05308	1.8
125.02466	4.2
128.67621	1.9
131.03491	1.8
133.02966	2.3
133.05359	1.9
134.03761	2.8
135.04488	7.6
137.02412	1.9
143.03557	8.6
151.03992	1.8
160.01570	2.3
161.02412	7.1
161.04565	10.0
163.03946	4.1
175.04019	2.4
179.03519	2.5
179.05577	9.6
191.97177	1.8
193.05054	1.8
197.04578	1.9
227.03464	4.5
238.98643	1.7
283.88416	1.6
309.04056	7.2
310.10825	4.1
311.05341	2.8
328.12143	1.8
337.09253	4.2
339.04980	6.6
399.23984	5.5
417.24939	6.6
467.13840	2.2
503.33746	5.7
561.29175	78.3
562.29382	14.3
579.30194	74.4
580.30725	8.9
617.79803	2.0
621.31299	14.3
622.32001	2.4
664.39069	7.2
665.29010	3.2
665.39435	27.9
666.39600	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	665.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51324	0.6
58.00591	2.4
59.01381	37.4
71.01384	21.0
72.99308	2.3
73.02940	0.9
78.95894	1.3
82.02444	0.7
83.01375	1.4
85.02947	5.0
87.00883	2.5
89.02446	29.1
95.01373	1.6
95.38441	0.7
101.02452	17.9
108.90161	1.1
110.89883	1.3
113.02445	10.7
119.03508	10.7
125.02389	1.3
131.03471	1.1
133.51341	0.7
143.03482	1.4
147.99199	0.8
161.04501	2.1
179.05609	3.9
221.06606	1.2
228.78072	0.8
244.19595	0.7
323.13455	100.0
324.14093	5.9
341.10849	1.9
383.11923	3.8
485.14941	0.8
570.58215	0.8
606.22424	0.9
665.21179	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	665.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00528	0.4
56.70917	0.4
59.01125	0.6
59.01381	6.1
61.98833	3.0
69.41371	1.7
69.41803	2.0
71.01033	0.4
71.01385	4.0
72.99305	2.1
73.02945	1.5
75.00897	0.5
80.78037	0.4
83.01397	0.9
83.65939	0.5
85.02959	1.6
89.02448	1.0
93.03461	2.0
95.01411	0.5
96.96007	0.8
98.19926	1.1
99.00902	0.7
101.02454	3.0
107.10993	0.5
108.02175	0.5
109.02971	1.6
111.00857	0.5
113.02438	1.5
116.92856	0.9
117.03443	4.9
118.98117	1.2
119.05025	100.0
120.05347	3.1
121.02954	1.0
132.02165	3.3
133.02966	7.7
134.03777	4.2
135.04530	9.3
135.05537	0.3
136.04889	0.5
137.02495	0.8
145.02951	23.9
146.03307	1.0
147.04501	1.0
149.02411	0.7
149.06091	1.5
150.03267	0.4
151.04002	0.7
159.04449	0.4
160.01659	13.9
161.02446	24.6
161.04533	0.9
162.02994	0.8
163.04002	42.2
164.04333	1.4
167.03375	0.5
175.04001	18.4
176.04420	1.0
177.05573	5.4
178.02650	0.8
179.03476	5.3
179.05814	0.5
181.05060	6.0
193.05034	3.8
197.04520	0.9
202.02545	0.4
203.03476	0.8
205.38887	0.4
221.04613	0.9
267.06613	0.8
302.55228	0.6
309.04019	1.0
311.05670	1.7
323.07745	7.0
324.08139	0.6
327.08682	6.2
337.09259	12.6
338.09619	1.0
458.24768	1.4
459.24817	1.0
489.13956	7.4
490.14456	1.1
501.14017	38.8
502.14310	5.2
503.33569	1.4
519.15137	3.0
520.15918	0.6
577.23071	1.5
605.35236	0.7
611.05640	0.4
621.18274	0.5
623.36334	0.7
665.18762	7.1
665.28229	0.9
665.38031	1.7
666.19525	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	665.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
55.70482	0.6
57.03446	1.0
58.63533	0.7
59.01387	9.9
61.98836	2.1
71.01385	10.7
71.04997	0.5
72.99312	2.7
73.02953	3.4
74.02473	0.9
75.00889	1.6
81.78319	0.5
83.01402	2.1
85.02965	5.3
87.00871	1.1
89.02438	2.7
93.03471	1.5
93.67550	0.5
95.01406	1.1
96.96014	0.9
97.02939	0.7
99.00895	1.8
101.02448	7.6
102.02776	0.7
109.02958	4.3
113.02443	4.8
114.02877	0.7
115.92117	0.8
116.92831	1.0
117.03471	6.2
119.05027	100.0
120.05373	4.1
121.02956	1.2
123.04495	0.8
125.02473	0.7
132.02133	3.2
133.02962	4.5
134.03741	4.7
135.02963	0.8
135.04518	9.5
135.05482	0.8
137.02441	1.3
139.03931	0.6
145.02953	32.2
146.03368	1.2
146.45128	0.6
147.04530	1.4
149.02434	1.8
149.06078	1.3
150.03242	0.7
151.03993	0.6
159.03012	1.1
159.04517	1.2
160.01653	18.0
161.02457	12.0
161.04521	4.2
162.02623	0.7
163.04010	64.5
164.04356	1.7
175.03993	24.4
176.04434	1.3
177.01950	1.5
177.05595	1.5
179.03470	3.9
181.05069	7.4
193.05083	4.8
197.04532	1.1
203.03545	1.0
207.04553	1.0
217.05066	1.0
224.04594	0.8
227.03578	1.1
235.03972	2.1
236.04611	0.8
237.05673	1.3
251.03514	0.7
253.05066	1.2
263.03577	3.5
264.03992	0.8
265.04987	1.0
267.06601	2.0
269.08139	1.0
279.03076	2.0
280.03738	0.7
281.04446	1.0
291.02945	0.9
307.02505	6.7
308.03116	2.1
309.04056	6.6
310.04761	0.7
311.05597	5.5
313.07272	0.9
323.07761	4.0
327.08661	5.8
337.09335	14.2
338.09650	2.0
357.06232	1.8
359.48337	0.5
379.74249	0.5
407.29562	0.9
409.31339	0.7
421.31033	1.5
426.37112	0.6
439.32166	0.8
441.33798	1.6
457.33429	0.6
459.34631	1.6
475.21939	3.5
485.32739	6.9
501.08054	0.8
501.14053	49.7
501.31998	4.4
502.14429	6.1
502.32544	15.8
503.33743	84.1
504.34128	5.0
590.17908	0.7
621.40302	7.0
664.37744	8.4
665.19196	6.7
665.28937	0.7
665.38580	10.0
666.18927	1.6
666.33026	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	665.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
55.70482	0.6
57.03446	1.0
58.63533	0.7
59.01387	9.9
61.98836	2.1
71.01385	10.7
71.04997	0.5
72.99312	2.7
73.02953	3.4
74.02473	0.9
75.00889	1.6
81.78319	0.5
83.01402	2.1
85.02965	5.3
87.00871	1.1
89.02438	2.7
93.03471	1.5
93.67550	0.5
95.01406	1.1
96.96014	0.9
97.02939	0.7
99.00895	1.8
101.02448	7.6
102.02776	0.7
109.02958	4.3
113.02443	4.8
114.02877	0.7
115.92117	0.8
116.92831	1.0
117.03471	6.2
119.05027	100.0
120.05373	4.1
121.02956	1.2
123.04495	0.8
125.02473	0.7
132.02133	3.2
133.02962	4.5
134.03741	4.7
135.02963	0.8
135.04518	9.5
135.05482	0.8
137.02441	1.3
139.03931	0.6
145.02953	32.2
146.03368	1.2
146.45128	0.6
147.04530	1.4
149.02434	1.8
149.06078	1.3
150.03242	0.7
151.03993	0.6
159.03012	1.1
159.04517	1.2
160.01653	18.0
161.02457	12.0
161.04521	4.2
162.02623	0.7
163.04010	64.5
164.04356	1.7
175.03993	24.4
176.04434	1.3
177.01950	1.5
177.05595	1.5
179.03470	3.9
181.05069	7.4
193.05083	4.8
197.04532	1.1
203.03545	1.0
207.04553	1.0
217.05066	1.0
224.04594	0.8
227.03578	1.1
235.03972	2.1
236.04611	0.8
237.05673	1.3
251.03514	0.7
253.05066	1.2
263.03577	3.5
264.03992	0.8
265.04987	1.0
267.06601	2.0
269.08139	1.0
279.03076	2.0
280.03738	0.7
281.04446	1.0
291.02945	0.9
307.02505	6.7
308.03116	2.1
309.04056	6.6
310.04761	0.7
311.05597	5.5
313.07272	0.9
323.07761	4.0
327.08661	5.8
337.09335	14.2
338.09650	2.0
357.06232	1.8
359.48337	0.5
379.74249	0.5
407.29562	0.9
409.31339	0.7
421.31033	1.5
426.37112	0.6
439.32166	0.8
441.33798	1.6
457.33429	0.6
459.34631	1.6
475.21939	3.5
485.32739	6.9
501.08054	0.8
501.14053	49.7
501.31998	4.4
502.14429	6.1
502.32544	15.8
503.33743	84.1
504.34128	5.0
590.17908	0.7
621.40302	7.0
664.37744	8.4
665.19196	6.7
665.28937	0.7
665.38580	10.0
666.18927	1.6
666.33026	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	664.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.2
61.98830	100.0
62.26608	0.4
67.10300	0.4
71.01378	1.5
72.99312	1.4
73.02950	0.6
80.88721	0.4
85.02946	0.6
88.98840	0.6
89.02427	0.6
96.54899	0.3
96.96013	0.5
99.03595	0.4
101.02454	0.9
102.24275	0.5
113.02512	0.5
117.92891	0.5
128.65643	0.4
133.02979	2.0
134.03741	0.6
135.04510	3.4
145.03008	0.7
147.25964	0.4
149.02451	0.7
161.02432	4.8
162.02814	0.5
178.41051	0.4
179.03551	2.1
197.04573	0.6
210.38490	0.4
234.28122	0.4
267.06726	0.8
311.05698	0.7
326.65845	0.4
372.81006	0.5
373.09329	1.2
381.26221	0.4
397.25406	0.9
401.24637	0.6
413.24881	1.4
415.26501	2.3
417.27979	5.3
418.28348	1.2
419.26236	0.9
431.26324	0.8
435.28998	5.4
436.29501	0.9
451.28430	0.5
453.30453	1.6
467.27982	3.6
468.28201	0.6
471.31210	0.5
484.31723	1.3
485.29501	0.6
497.29102	23.6
498.29416	3.8
498.35019	0.4
501.07489	0.4
502.32877	0.5
503.23093	0.6
515.30060	8.3
515.37012	0.6
516.30804	1.6
557.31378	1.5
609.68518	0.4
614.78351	0.4
665.37946	0.6
686.70996	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	665.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86969	0.6
59.01377	20.9
62.00223	0.6
70.49729	1.2
71.01363	0.6
72.99335	0.6
85.06592	8.7
99.55765	0.6
102.30892	0.7
107.01374	1.5
109.02965	0.7
113.06104	7.1
117.03503	0.7
123.06910	0.5
128.08672	0.6
131.07140	66.1
132.07477	2.1
133.02946	9.2
134.03667	0.5
135.04510	12.0
136.81288	0.6
137.02379	0.7
149.02435	1.7
151.00366	5.0
161.02446	8.8
165.01878	0.8
173.08182	31.2
174.08504	1.2
175.03998	2.9
179.03479	3.8
195.06583	0.8
199.04018	1.6
201.01926	0.8
203.03419	0.7
217.05026	1.5
241.05063	1.4
243.02971	0.9
256.03711	1.2
269.04712	0.6
283.02417	0.8
284.03250	5.3
285.04037	100.0
286.04367	6.9
323.07687	2.2
327.05112	0.9
373.16580	0.6
423.63702	0.7
447.09311	92.7
448.09601	10.7
459.12924	4.1
485.11057	1.4
503.12030	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	663.3903
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
59.01361	2.1
61.98824	2.0
68.67316	0.5
71.05025	0.7
78.95928	0.7
80.96509	1.8
98.20688	0.7
104.89606	0.5
105.03486	1.2
118.04823	0.5
119.04992	0.7
132.02173	10.7
133.02019	0.9
133.02963	14.1
134.03758	9.9
135.04529	1.1
136.01645	1.0
137.02432	0.6
140.12779	0.5
147.04503	0.9
149.06096	5.0
160.01663	52.6
161.02414	5.1
175.04012	53.3
176.04372	2.4
177.01993	2.8
177.03229	0.7
179.03442	1.0
192.04277	0.9
193.05025	1.8
274.26920	0.5
367.94260	0.5
409.30676	0.6
454.20197	0.5
455.68521	0.5
469.33148	1.6
505.29453	1.4
513.32288	0.7
527.99640	0.7
578.27155	2.2
579.26758	0.6
604.37909	0.6
619.39868	0.7
627.20825	1.8
633.37946	2.2
645.38043	0.8
648.36481	0.6
663.39014	100.0
664.39374	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	664.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24096	1.2
58.02982	7.9
59.01370	2.1
71.62859	2.3
72.99304	20.6
74.02476	15.7
78.94352	1.6
82.02949	1.4
86.02484	6.9
86.06069	1.7
96.96033	2.8
99.05643	12.5
102.05640	1.6
104.38955	1.3
107.06133	1.3
109.02943	1.4
109.04072	1.8
111.45437	1.5
121.02951	9.0
123.04562	1.4
128.03545	43.1
129.03835	1.6
133.02953	12.9
135.04512	10.5
135.05556	2.6
139.02249	6.2
143.04623	68.0
145.06160	2.6
146.04578	4.4
151.03983	4.3
153.06685	2.5
155.01726	39.5
156.02071	1.5
161.02443	38.5
166.09863	1.5
167.01712	24.4
167.04623	2.2
167.08136	1.8
179.03241	7.7
179.04855	9.5
181.06136	1.6
185.05576	2.4
210.08839	12.0
211.00737	15.8
223.25647	1.5
229.01743	87.3
230.02014	3.9
254.07858	17.4
255.08156	1.9
272.08884	100.0
273.09085	4.0
323.07480	2.5
373.07092	6.8
391.04938	57.4
392.05106	3.9
484.10065	3.2
502.11362	61.4
503.11218	7.5
535.09607	1.5
664.14410	6.9
681.14740	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	663.3901
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
61.98830	0.4
64.14999	0.2
69.34229	0.7
69.34659	1.2
71.05020	0.3
72.76124	0.2
77.03955	0.2
89.03988	0.3
95.05032	0.8
97.18169	0.2
104.02681	0.3
105.03451	3.1
117.03474	0.4
119.05024	0.6
132.02164	7.9
133.02959	20.0
134.03743	8.3
136.01630	0.6
137.02423	0.5
147.04527	0.6
149.06081	2.3
153.05666	0.4
160.01656	38.7
161.02084	1.7
175.03996	36.4
176.04361	1.9
177.01935	3.5
178.02663	0.5
187.93404	0.2
193.05046	7.4
242.93478	0.2
251.51740	0.2
433.71170	0.2
451.32266	0.3
469.33319	0.5
484.00308	0.2
589.34528	0.3
604.37451	0.7
619.39880	1.1
620.40302	0.5
630.35919	0.4
645.37878	1.9
648.36523	2.2
649.36932	0.4
663.38983	100.0
664.39343	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	663.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.3
61.98829	2.8
71.01379	6.3
72.99301	3.0
73.02944	1.3
83.01408	0.7
85.02949	1.8
88.98798	0.7
89.02422	2.9
101.02454	3.7
109.02931	0.9
113.02453	2.6
114.59492	0.5
116.92871	2.0
117.03489	0.7
119.03486	0.5
119.05010	0.6
122.06081	0.7
126.90547	0.7
129.73891	0.6
131.07127	0.6
133.02946	4.5
134.03726	1.0
135.04527	5.5
137.02409	0.6
145.02950	1.1
149.02437	2.2
150.03230	0.8
161.02446	12.8
161.04514	1.1
163.03975	1.1
174.74161	0.6
178.02678	1.0
179.03461	4.1
194.41376	0.6
197.04442	0.8
257.17575	11.5
258.17755	0.7
267.06616	1.6
273.99417	0.6
301.20193	2.6
311.05688	3.0
355.26309	2.1
377.28418	0.6
379.29895	0.7
413.34018	1.1
421.31021	1.0
423.29047	24.7
424.29306	3.4
437.30762	1.4
439.32269	5.3
440.32623	1.1
457.33228	13.4
458.33353	1.9
465.30069	0.7
471.34628	0.8
483.31433	1.1
501.32217	19.0
502.32538	3.4
543.32886	1.0
601.37256	3.5
631.21155	0.7
645.36725	1.6
663.37482	100.0
664.37811	18.7
664.46991	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	662.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
61.98825	7.1
66.25599	1.0
71.01394	8.3
73.02962	2.0
78.95924	1.5
78.98598	4.9
79.95738	7.9
80.96520	62.7
81.03455	1.7
85.02966	2.6
87.00890	2.4
92.73472	1.2
94.53082	1.2
94.98087	15.1
98.19818	2.2
101.02446	1.7
106.98096	3.7
122.97600	3.0
125.02451	4.1
127.04064	1.4
132.02209	3.2
133.02954	6.3
134.03719	4.2
134.97592	5.4
135.04543	1.6
136.99142	1.7
148.99147	4.4
152.98630	4.9
160.01662	10.9
161.02422	3.3
164.98642	10.8
175.02924	1.0
175.04048	10.6
176.04305	2.1
179.03555	1.8
193.05095	3.8
194.05458	1.9
206.99522	1.8
225.00761	14.5
243.44997	1.4
248.47746	1.1
277.21701	2.3
287.64130	1.2
299.04367	3.0
471.34805	1.4
548.66772	1.3
577.26880	100.0
578.27167	15.4
600.37366	1.8
604.42047	1.4
661.37628	7.4
662.25012	4.3
662.37830	20.5
663.37848	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	663.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01384	4.3
59.01639	0.6
61.98824	0.6
62.60896	0.6
69.03454	0.7
71.01373	5.3
71.62361	1.0
72.99300	1.5
73.02932	1.8
83.01405	1.3
85.02943	4.5
89.02449	1.0
93.03448	1.1
95.01405	1.8
96.96007	1.1
97.02955	2.4
101.02447	4.1
109.02943	1.3
113.02433	7.5
117.03453	5.1
119.05027	100.0
120.05358	4.5
121.02946	3.4
123.04543	1.5
125.02406	0.8
132.02187	6.1
132.05817	3.6
133.02965	2.6
133.06609	13.2
134.03746	7.8
135.04520	2.8
137.02452	5.2
145.01845	1.4
145.02953	21.5
149.06081	2.8
158.03687	0.9
159.04485	2.1
160.01657	36.1
161.02467	6.1
161.04720	1.2
161.06084	20.6
162.03246	1.1
162.06462	1.1
163.00336	2.1
163.04005	94.3
164.01151	13.7
164.04327	3.6
165.01907	5.6
175.03998	40.9
176.04373	2.1
177.05527	2.6
178.02676	1.0
179.03481	2.1
187.03995	3.4
190.99873	1.7
191.07085	1.4
192.00644	15.2
193.01395	21.1
193.03273	1.3
193.05055	8.3
205.05046	21.2
205.06992	1.1
206.05255	1.0
217.05045	2.2
235.06053	1.4
307.08328	1.4
323.07660	3.9
337.09293	37.2
338.09479	2.3
355.06787	1.7
357.82895	0.7
501.14661	75.4
502.14679	10.4
515.15320	0.9
543.15155	9.2
555.14813	1.7
663.15912	1.0
663.28241	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	663.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	7.0
57.03453	4.7
58.00591	2.9
59.01380	48.6
60.99289	1.2
61.98822	1.9
67.55172	0.8
69.03461	1.3
70.04053	0.8
71.01382	73.4
72.99301	5.0
73.02949	31.4
75.00872	2.3
83.01392	15.7
85.02951	38.4
87.00872	3.2
89.02444	10.1
90.32323	0.8
95.01379	5.4
97.02934	2.1
98.20721	1.9
99.00883	11.5
100.24792	0.9
101.02444	100.0
102.02798	1.7
102.15540	0.8
107.56847	0.9
109.02906	1.1
113.02452	33.6
116.92833	1.7
119.03472	1.8
125.02435	2.2
129.01947	1.4
131.64127	0.8
133.02934	2.1
135.04572	4.2
141.01912	1.1
143.03493	4.9
143.08641	1.1
145.02905	1.8
149.06047	2.8
159.02989	7.5
161.02559	4.6
161.04561	41.8
179.03394	1.2
205.03612	1.2
255.19629	6.5
259.30182	0.9
269.21130	1.5
279.19736	1.2
291.19849	1.3
297.20660	1.4
311.05615	1.0
330.61194	0.9
389.28549	1.4
411.29074	1.2
419.29474	2.6
421.31598	6.2
423.29062	1.3
424.29068	1.0
435.30075	1.0
437.30695	3.6
439.32312	3.4
453.30124	1.8
457.33353	3.1
465.30066	2.8
471.31113	2.7
481.29532	2.7
483.31131	2.2
501.32300	19.1
502.32483	3.9
573.31116	1.2
574.30762	1.8
575.31232	2.3
583.36389	13.5
584.36469	2.9
585.34711	3.5
599.36389	4.3
600.36969	2.0
601.37262	13.3
602.37756	3.4
603.37457	1.7
615.35431	12.2
616.35687	2.6
619.28265	0.9
619.38483	17.7
620.39185	3.8
633.36584	17.0
634.36603	2.9
663.37549	33.6
664.37799	6.4
673.72186	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	661.3957
Annotation	Soulieoside C
Peak:m/z	Relative Intensity
54.87196	0.2
55.01876	1.5
57.03459	1.0
58.00591	0.4
59.01381	100.0
60.01722	0.9
61.98831	0.2
69.03462	0.5
71.01385	11.1
71.05023	0.5
72.01723	0.1
72.99319	0.7
73.02950	5.4
75.00885	0.6
81.03441	0.2
83.01386	3.8
83.01855	0.2
84.02167	0.2
85.02950	6.5
87.00887	0.7
89.02446	0.7
95.01388	1.2
97.02959	0.9
97.06586	0.2
99.00893	1.6
101.02445	14.8
106.06663	0.2
111.00900	0.5
113.02448	4.1
114.02837	0.2
125.02435	1.6
129.01970	0.2
143.03502	1.6
159.03011	0.8
161.02541	0.3
161.04559	5.1
162.04967	0.2
203.05627	0.5
439.32547	0.3
441.30295	0.7
455.31833	0.4
457.33249	10.9
458.33438	1.6
467.56171	0.2
481.33429	0.5
499.34451	0.6
527.33551	0.4
553.35870	0.4
583.36438	0.5
601.37433	7.9
602.37793	1.5
619.38483	17.7
620.38788	3.7
620.48267	0.2
661.39587	2.1
661.50244	0.2
662.28357	0.2
662.40479	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	661.3957
Annotation	Soulieoside C
Peak:m/z	Relative Intensity
55.01883	0.3
57.03444	0.7
58.77428	0.2
59.01382	100.0
60.01709	1.2
61.98845	1.1
65.87472	0.2
68.68345	0.2
70.04763	0.2
71.01386	5.8
71.62808	0.3
72.99311	0.7
73.02946	1.9
83.01394	1.3
85.02959	3.0
89.02451	0.7
95.01408	0.6
97.02986	0.3
99.00910	0.6
100.20708	0.2
100.28019	0.2
101.02450	3.2
113.02463	2.6
116.92847	0.5
119.03519	0.3
133.02977	0.8
135.04538	1.8
145.02943	0.4
149.02509	0.4
150.03214	0.3
159.03055	0.4
161.02475	2.5
161.04562	2.4
161.05945	0.3
162.02748	0.3
175.02428	0.2
179.03549	0.7
197.04544	0.3
267.06567	0.4
311.05722	0.6
314.61328	0.2
359.07635	0.3
366.94852	0.2
422.51569	0.2
439.32446	0.4
457.27313	0.4
457.32950	1.3
546.20313	0.2
581.16101	0.2
583.36615	0.3
601.37494	4.7
602.38092	1.1
619.38434	4.3
620.39209	1.0
661.41083	3.2
662.41211	0.6
668.99634	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	661.3958
Annotation	Soulieoside C
Peak:m/z	Relative Intensity
53.17552	0.2
55.01887	0.5
55.19250	0.2
57.03452	0.4
59.01382	100.0
60.01715	1.1
61.16726	0.2
61.98837	0.7
69.70575	0.8
71.01385	7.7
71.05034	0.2
72.99329	0.4
73.02954	3.0
83.01408	1.3
85.02953	4.0
87.00887	0.4
89.00928	0.2
89.02447	1.4
95.01400	0.6
97.02966	0.4
99.00877	1.1
101.02447	4.9
111.00871	0.4
113.02445	3.2
119.03520	0.4
125.02483	0.3
131.03493	0.2
135.04549	0.3
143.03549	0.6
154.62767	0.2
159.03009	0.5
161.02489	0.8
161.04558	3.7
179.03485	0.3
179.05595	0.4
372.35754	0.2
373.07590	0.2
425.27350	0.3
441.29941	0.3
457.33252	4.6
458.33548	0.5
481.33252	0.3
499.34515	0.4
522.70490	0.2
530.59869	0.2
553.35663	0.3
565.35535	0.2
583.36749	0.3
601.37469	8.3
602.37616	1.4
619.38501	5.0
620.38959	0.8
661.39984	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	661.3742
Annotation	Yungensin E
Peak:m/z	Relative Intensity
51.62416	0.7
59.01369	2.5
59.87878	0.6
61.98824	2.7
71.01389	3.1
73.02943	1.0
78.95913	1.1
78.98590	1.0
79.95741	2.7
80.96515	15.7
82.96085	1.3
83.05023	6.7
87.00896	0.6
89.03955	1.0
94.98102	3.7
97.02941	0.8
101.02507	0.7
105.03470	2.6
106.98088	1.2
117.03451	1.0
122.97580	0.9
125.02480	0.8
132.02167	8.6
133.02951	16.9
134.03748	15.9
134.97574	1.0
135.04517	1.4
136.01581	0.7
148.99138	1.6
149.06078	3.7
152.98596	1.5
160.01656	40.8
161.02444	3.4
164.98622	2.5
175.04002	37.9
176.04314	1.9
177.01956	4.5
178.02721	1.4
179.03294	0.9
187.07608	1.5
193.05052	15.4
206.99515	1.1
225.00758	4.4
231.06674	0.9
277.21667	1.4
299.04376	1.1
312.47940	0.8
519.31201	1.0
577.26843	33.0
579.26556	4.3
599.37256	6.8
600.38068	1.0
602.35730	1.3
617.38348	9.2
618.39117	1.7
643.36066	4.5
661.37439	100.0
662.25397	1.4
662.37769	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	661.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.4
59.01384	67.8
61.98830	7.7
69.44817	7.3
69.45245	5.3
71.01382	32.9
72.99313	6.1
73.02943	10.8
83.01385	5.2
85.02965	9.6
87.00875	3.0
89.02451	14.7
93.03466	3.9
93.13802	1.5
93.24393	1.5
96.96027	6.1
98.19862	3.1
99.00861	3.1
101.02449	20.5
101.84473	1.7
109.02962	6.1
110.68230	1.5
113.02453	11.7
115.92091	1.6
116.92823	2.7
117.03471	3.7
119.03490	5.4
119.05017	3.6
120.04571	1.5
121.02955	1.7
122.06128	5.5
123.04494	2.4
123.06513	2.3
126.90493	2.7
133.02966	9.4
134.03749	2.6
134.06075	2.4
135.04526	31.6
136.04886	1.7
137.02448	2.9
143.03551	2.0
145.02924	12.2
147.04582	1.7
149.04475	1.5
149.06053	4.9
152.07144	10.9
153.07500	3.0
159.03059	1.9
161.02419	19.4
161.04518	3.8
162.02750	2.6
163.03983	8.3
174.01627	2.0
175.04115	1.9
179.03526	11.1
179.96689	1.7
188.07172	3.6
189.07317	1.9
197.04541	4.4
209.11546	1.8
251.16512	14.9
253.09787	2.3
257.12991	3.1
265.04990	2.2
266.05759	1.9
267.06635	3.0
269.13995	2.3
275.09903	1.6
279.07162	2.1
293.17715	1.7
295.10837	4.3
296.11270	5.3
297.11429	2.5
301.11926	3.6
307.10934	1.9
328.07626	3.3
328.57861	2.9
359.08057	2.1
359.15897	1.7
395.20618	2.1
413.21765	4.3
437.21790	3.8
455.22861	100.0
456.23059	14.7
460.18469	2.3
461.19150	4.5
462.19385	5.7
479.22803	1.9
503.33755	4.9
504.17487	2.3
504.34229	2.3
505.17920	12.6
506.18237	18.9
507.18988	2.1
537.20471	4.5
538.21033	11.0
661.34314	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	661.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.4
59.01384	67.8
61.98830	7.7
69.44817	7.3
69.45245	5.3
71.01382	32.9
72.99313	6.1
73.02943	10.8
83.01385	5.2
85.02965	9.6
87.00875	3.0
89.02451	14.7
93.03466	3.9
93.13802	1.5
93.24393	1.5
96.96027	6.1
98.19862	3.1
99.00861	3.1
101.02449	20.5
101.84473	1.7
109.02962	6.1
110.68230	1.5
113.02453	11.7
115.92091	1.6
116.92823	2.7
117.03471	3.7
119.03490	5.4
119.05017	3.6
120.04571	1.5
121.02955	1.7
122.06128	5.5
123.04494	2.4
123.06513	2.3
126.90493	2.7
133.02966	9.4
134.03749	2.6
134.06075	2.4
135.04526	31.6
136.04886	1.7
137.02448	2.9
143.03551	2.0
145.02924	12.2
147.04582	1.7
149.04475	1.5
149.06053	4.9
152.07144	10.9
153.07500	3.0
159.03059	1.9
161.02419	19.4
161.04518	3.8
162.02750	2.6
163.03983	8.3
174.01627	2.0
175.04115	1.9
179.03526	11.1
179.96689	1.7
188.07172	3.6
189.07317	1.9
197.04541	4.4
209.11546	1.8
251.16512	14.9
253.09787	2.3
257.12991	3.1
265.04990	2.2
266.05759	1.9
267.06635	3.0
269.13995	2.3
275.09903	1.6
279.07162	2.1
293.17715	1.7
295.10837	4.3
296.11270	5.3
297.11429	2.5
301.11926	3.6
307.10934	1.9
328.07626	3.3
328.57861	2.9
359.08057	2.1
359.15897	1.7
395.20618	2.1
413.21765	4.3
437.21790	3.8
455.22861	100.0
456.23059	14.7
460.18469	2.3
461.19150	4.5
462.19385	5.7
479.22803	1.9
503.33755	4.9
504.17487	2.3
504.34229	2.3
505.17920	12.6
506.18237	18.9
507.18988	2.1
537.20471	4.5
538.21033	11.0
661.34314	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	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.19561	0.4
60.01714	1.2
60.17727	0.4
61.98841	0.8
69.36049	3.9
77.92937	0.4
78.95925	0.9
85.73105	0.4
88.39785	0.4
97.18343	0.4
139.16635	0.4
156.67847	0.4
207.10353	0.5
342.86554	0.5
364.90182	0.4
541.37537	0.7
563.39252	1.0
581.40540	0.5
660.39789	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	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38572	0.8
59.01383	100.0
61.98823	5.6
63.06456	1.0
70.84651	2.3
101.56355	0.8
161.25645	0.9
172.38229	0.9
185.77332	0.9
359.74277	0.9
466.36542	1.0
509.28952	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	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13089	0.3
59.01383	100.0
60.01721	0.7
61.98830	1.9
63.84531	0.4
69.63173	2.2
69.63586	0.7
78.95908	0.7
98.19891	0.8
110.65913	0.4
171.86279	0.4
199.88589	0.4
255.23312	0.4
437.72647	0.4
469.11392	0.4
541.36932	0.7
584.93036	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	659.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.74290	0.4
70.30409	0.8
72.52428	0.3
78.76051	0.3
82.01996	0.3
83.79227	0.3
84.18301	0.4
92.54670	0.3
109.54510	0.3
121.15639	0.3
175.31421	0.4
182.84096	0.4
210.13106	0.3
255.23099	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	661.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.9
57.03426	1.4
59.01131	1.7
59.01385	19.0
61.98835	1.4
69.88445	1.1
71.01383	13.2
71.43198	2.2
72.99300	2.0
73.02928	2.7
83.01405	5.7
85.02936	3.5
87.00893	1.4
89.02460	7.5
95.01411	1.3
96.96008	7.9
99.00900	1.8
101.02451	18.3
109.02955	1.8
113.02444	4.1
117.03474	1.5
119.03522	2.0
119.05019	1.3
132.02182	21.0
133.02959	7.6
134.03748	56.7
135.04550	6.9
136.01645	1.4
137.02419	3.3
145.07735	6.5
146.04837	1.4
147.04520	7.1
148.05315	3.2
149.06067	11.1
151.03979	1.8
153.05432	1.3
155.03529	2.2
158.03760	2.5
160.01666	82.2
160.06400	15.2
161.02458	13.0
161.07205	80.2
162.07504	3.9
165.01903	3.4
173.06033	1.3
173.10777	1.3
175.04008	100.0
175.08784	27.9
176.04756	22.2
176.09108	2.7
177.01920	3.9
177.05443	2.2
178.02742	9.3
179.03439	5.3
180.04196	1.3
185.10796	1.8
187.08759	3.8
189.06712	87.0
190.07027	4.7
191.07161	26.5
193.05070	56.3
194.05507	4.0
195.06691	2.8
201.10393	5.7
202.02698	1.6
203.08264	25.2
203.11896	7.5
207.06618	7.6
208.06874	1.3
209.08176	4.1
217.05101	1.4
220.03802	3.0
225.07637	2.3
229.09833	12.9
230.10156	1.6
231.07698	1.6
235.06123	47.7
236.06496	3.3
241.09796	2.6
248.63863	1.5
259.10959	2.3
265.07150	17.2
266.07544	1.4
295.08188	27.0
296.08533	2.1
305.11414	17.2
323.12326	4.4
337.09213	4.4
355.10251	8.7
376.70984	1.4
403.14246	1.3
467.16714	21.5
468.17056	2.4
471.14999	4.5
485.17755	66.4
486.18195	8.2
661.22443	91.3
662.22894	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	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	0.8
61.98832	1.5
65.88483	0.3
69.54292	1.0
69.54715	1.3
78.95940	0.4
93.95457	0.3
116.59495	0.3
171.10338	0.4
244.06369	0.3
317.76340	0.3
331.34491	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	659.38
Annotation	Cimiracemoside K
Peak:m/z	Relative Intensity
53.71946	1.1
55.01879	1.8
57.03458	2.5
59.01381	79.2
60.01722	1.2
61.98838	2.3
69.42819	5.8
69.43252	4.0
71.01388	17.9
72.99308	1.8
73.02946	8.8
78.95909	1.3
83.01371	4.1
85.02949	13.1
89.02437	1.2
95.01395	1.5
98.20685	2.2
99.00879	4.3
101.02446	11.7
109.06596	4.1
111.08134	8.9
113.02465	8.7
116.92826	7.1
127.00369	21.8
129.01958	1.3
133.02971	1.5
135.04495	5.1
136.07623	1.2
149.06058	3.3
153.09190	5.4
157.01451	2.2
161.02419	3.5
161.04532	4.0
162.02818	1.3
165.09213	4.2
171.10251	3.7
179.03435	2.3
189.09148	1.9
198.55548	1.1
203.10782	4.6
209.11786	3.3
233.15463	1.8
289.21658	6.0
421.27625	1.8
433.26132	2.8
436.75894	1.3
437.30695	11.4
438.31201	1.4
455.31619	34.0
456.31937	5.4
461.02713	1.3
467.77744	1.2
468.44409	1.3
581.34705	4.8
599.35870	100.0
600.36230	21.1
617.37030	16.5
618.37305	1.9
659.26251	2.9
659.37982	89.2
660.26666	2.1
660.38208	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	659.3796
Annotation	26-Deoxyactein
Peak:m/z	Relative Intensity
54.28324	0.1
55.01888	0.8
57.03448	0.6
59.01379	100.0
60.01716	0.9
61.34212	0.1
61.98827	0.3
68.99804	0.2
69.03466	0.1
69.27336	1.4
71.01382	8.3
72.01720	0.3
72.99311	0.3
73.02945	2.6
75.00894	0.2
81.03445	0.2
83.01383	1.2
83.05054	0.3
85.02950	3.8
86.03316	0.2
87.00872	0.4
89.02458	1.2
95.01405	0.7
97.02966	0.4
99.00877	1.0
99.92598	0.1
101.02441	5.6
111.00926	0.4
113.02449	3.1
114.02850	0.2
119.03509	0.5
125.02464	0.7
135.04453	0.1
143.03526	0.6
159.03017	0.5
160.35594	0.2
161.02472	0.5
161.04553	3.6
165.37540	0.2
170.36447	0.2
171.10324	0.1
179.03580	0.3
179.05653	0.4
202.88013	0.1
231.13837	0.2
254.67755	0.2
262.38556	0.1
267.06619	0.2
369.24118	0.3
403.24991	0.2
411.29007	0.4
421.27286	0.2
435.29218	0.2
437.30682	0.4
439.28610	0.7
455.31683	3.8
455.37979	0.3
456.32071	0.4
479.31775	0.4
497.33118	0.5
499.30399	0.2
525.32220	0.2
551.33490	0.3
581.35492	0.2
599.35895	7.3
600.36151	1.4
617.17310	0.2
617.36920	4.8
618.37335	0.7
659.38031	1.4
660.38129	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	659.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.3
57.53736	0.3
59.01381	100.0
60.01719	1.2
61.98833	1.6
67.45309	0.3
67.48386	0.2
69.49297	2.4
71.01377	2.5
72.99338	0.3
73.02946	0.9
83.01402	0.6
85.02966	1.2
86.41100	0.3
87.00883	0.3
99.00877	0.4
101.02450	1.9
109.02945	0.5
111.00912	0.4
113.02435	1.6
113.50210	0.3
121.03003	0.4
122.06149	0.3
125.02474	0.4
126.08620	0.3
127.00405	1.0
132.05344	0.3
133.02945	0.9
134.06192	0.4
135.04512	1.6
143.03511	0.4
149.02464	0.6
161.02478	2.2
161.04552	0.6
171.10332	1.7
179.03511	1.3
185.11909	0.6
185.15547	0.5
191.05173	0.3
209.11868	1.2
334.61740	0.3
405.63165	0.3
437.30930	0.6
455.31689	1.4
471.15585	0.6
472.12299	0.3
479.31589	0.5
497.33051	0.4
499.31226	0.4
520.94135	0.3
585.05768	0.3
599.35852	7.1
600.36584	1.4
617.37439	1.2
659.38385	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	659.38
Annotation	26-Deoxyactein
Peak:m/z	Relative Intensity
53.30221	0.2
54.07633	0.3
55.01878	0.9
57.03446	1.1
58.00594	0.3
59.01380	100.0
60.01709	1.0
61.98851	0.5
68.99833	0.4
69.03481	0.3
70.96582	0.3
70.96911	0.6
71.01383	8.3
72.99298	0.5
73.02943	3.1
83.01377	1.9
85.02950	5.4
85.03426	0.3
87.00883	0.6
89.02453	0.6
95.00797	0.3
95.01397	1.1
97.02977	0.4
99.00909	1.2
99.92585	0.8
101.02447	6.9
109.02984	0.3
109.06602	0.3
111.08176	0.8
113.02444	3.6
115.92106	1.6
116.92862	7.3
117.92879	0.5
125.02437	0.7
133.03059	0.3
135.04541	0.5
143.03520	1.0
149.06084	0.7
159.03032	0.5
161.02457	1.1
161.04538	3.0
165.09164	0.5
179.03491	0.3
187.07663	0.3
203.10646	1.3
289.21704	0.6
369.24658	0.4
411.28824	0.5
433.25845	0.5
437.30719	2.2
438.30963	0.4
439.28857	0.4
455.31696	7.5
456.32159	1.2
470.95364	0.3
497.32773	0.4
547.29254	0.3
551.34039	0.4
581.34937	1.7
599.35864	20.3
600.36273	4.4
613.34094	0.6
617.36926	9.5
618.04779	0.3
618.37280	2.3
659.25647	2.6
659.38342	3.3
660.25848	1.1
660.38470	1.1
668.68103	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	659.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12927	0.6
59.01373	2.1
69.56982	3.6
69.57399	1.6
80.05058	6.2
89.84184	0.7
94.06609	2.0
98.19888	1.1
104.05050	2.0
105.37446	0.7
106.06623	2.9
107.03754	4.8
108.04543	2.9
108.08163	0.9
122.06117	28.6
123.06460	1.4
123.74384	0.6
130.06628	1.0
132.04550	1.5
134.06117	9.5
136.07668	2.2
139.02785	0.8
146.06099	2.9
148.04007	1.8
148.07695	0.8
150.05606	1.1
152.07167	46.5
153.07481	1.5
160.04005	1.8
160.07588	0.8
161.04871	0.7
174.05582	2.1
180.06628	8.7
186.05598	0.9
188.07155	16.5
189.07507	0.9
190.05113	0.6
210.07948	1.5
211.08754	3.9
212.09346	1.1
213.10349	1.1
214.05025	0.7
223.12424	0.8
224.09546	1.7
225.10323	5.3
226.10985	1.9
227.11911	4.1
235.08792	1.0
237.10320	1.2
238.07491	1.6
239.08333	1.5
239.11868	1.8
241.13362	1.2
244.48499	0.8
245.12885	4.8
245.90968	0.6
246.13287	0.7
249.06593	0.9
249.10388	1.1
250.07367	0.8
251.08321	1.9
251.11856	2.8
252.08994	2.5
253.09801	8.9
254.10321	0.7
264.08969	1.3
265.09796	3.2
266.10471	1.0
267.11343	5.6
273.95499	0.6
277.09760	2.7
278.10266	1.0
279.07730	2.6
279.11328	2.6
280.08466	1.1
281.09354	1.0
285.12573	1.6
292.08688	1.0
293.09290	2.8
293.12689	1.1
294.10034	3.3
295.10837	32.9
296.11334	3.2
296.40369	0.7
307.10864	14.1
308.11246	2.4
309.12375	1.8
313.11993	1.7
314.07678	0.6
321.08813	1.1
323.10379	3.8
325.11832	1.3
339.09763	2.9
351.09665	0.8
392.19611	1.3
400.16690	1.1
401.16998	0.8
404.15817	0.7
418.17798	1.2
432.19302	3.0
433.19705	0.7
458.17178	0.9
460.18771	41.8
461.19058	6.0
476.18100	4.0
504.17752	100.0
505.18106	15.8
508.20886	1.5
536.20349	55.6
537.20789	10.5
565.24445	3.7
609.23407	4.6
627.24451	5.3
641.25995	2.3
659.27063	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	659.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.6
61.98812	2.1
64.57460	1.2
71.01363	2.3
71.39803	2.4
72.99297	1.6
80.05040	7.2
83.01383	1.4
97.95148	1.3
99.00853	1.4
101.02448	2.7
104.05041	2.1
106.06623	2.9
107.03753	4.6
108.04568	4.9
109.02951	2.6
113.02467	3.1
122.06126	22.2
123.04494	1.9
123.06455	1.8
133.02968	3.3
134.06116	10.7
134.55479	1.4
135.04533	9.8
136.07645	4.9
139.02731	1.6
145.02930	2.0
146.06099	4.0
148.04044	2.6
149.02422	2.5
150.05595	3.8
150.06837	2.1
152.07169	45.3
160.03949	1.8
161.02441	11.1
174.05586	1.9
179.03485	5.3
180.06668	6.9
188.07161	16.4
197.04477	1.8
211.08713	4.5
225.10339	6.2
227.11848	4.1
238.07343	1.8
239.11836	3.3
245.12956	3.9
251.11856	1.7
251.16466	1.9
252.09013	2.1
253.09789	10.3
257.12857	3.2
258.13275	3.0
259.13458	1.7
265.09763	2.4
267.11313	5.0
277.09760	3.0
279.07687	3.1
279.11194	2.7
292.08490	1.8
293.09256	3.8
294.10068	3.1
295.10889	38.3
296.11301	4.0
301.12085	2.3
302.12256	5.4
303.12610	3.1
307.10861	15.7
308.11163	1.4
311.05386	2.3
323.10294	3.4
338.09210	1.3
339.09805	2.4
392.19559	2.1
432.19669	2.9
460.18802	41.0
461.18939	4.8
476.17880	3.0
495.36594	2.1
496.37131	3.8
504.17780	100.0
505.18097	16.4
536.20410	60.3
536.26447	1.1
536.28772	1.8
537.20782	11.0
609.22955	2.9
627.24072	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	659.0158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35596	0.3
59.01381	67.4
60.01719	0.6
61.98838	1.1
64.32627	0.3
71.61332	0.3
76.33577	0.3
79.95186	0.3
90.97159	0.9
91.96671	0.3
111.65520	0.3
118.96600	0.6
119.24136	0.3
126.68269	0.3
132.98219	1.9
139.15414	0.3
150.94879	0.4
157.03537	1.2
159.01523	0.9
174.99245	25.1
192.95837	3.1
201.02554	16.1
202.02744	0.9
217.00298	100.0
218.00626	3.2
218.98204	0.4
228.14760	0.3
278.30234	0.3
343.03711	1.2
359.01480	31.3
360.01682	3.0
374.99219	50.8
375.99615	2.8
517.00421	8.1
518.00537	1.3
657.38135	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	659.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.8
61.98833	2.2
71.01379	2.7
71.42896	2.3
72.99308	2.4
73.02939	1.5
80.05074	6.1
94.06619	2.0
96.96021	1.9
99.00822	1.5
101.02451	2.0
104.05059	2.0
106.06609	3.7
107.03780	2.8
108.04531	3.7
109.02970	1.7
117.03445	1.3
122.06116	25.1
130.06633	1.9
132.04578	1.8
133.02982	2.8
134.03760	1.5
134.06149	8.8
135.04564	8.8
136.07721	2.9
141.82587	1.2
145.02933	1.4
146.06082	2.1
148.04034	2.5
150.05626	2.0
152.05971	2.4
152.07179	45.3
153.07507	2.2
160.04044	3.1
160.23260	1.4
161.02446	10.6
162.02753	2.1
164.09744	1.1
174.05612	3.7
179.03505	4.5
180.06726	6.0
186.05565	1.4
188.07172	19.1
197.04523	3.4
211.08757	3.1
224.09589	1.9
225.10312	4.2
227.11888	3.3
237.10231	1.8
238.07367	1.9
239.11911	3.3
241.09814	1.5
245.12950	4.2
249.10373	2.0
251.08179	2.7
251.11890	1.8
251.16443	3.4
252.08961	2.9
253.09848	12.1
257.12939	3.1
258.13297	3.1
265.09814	3.5
267.06577	1.3
267.11362	3.8
277.09805	3.2
278.10565	1.6
279.07748	3.2
279.11227	2.5
280.08463	1.3
281.09128	1.8
285.12247	1.3
293.09369	3.5
294.10031	3.4
295.07724	2.3
295.10864	35.7
296.11359	2.8
301.11920	3.2
302.12231	3.8
303.12527	2.4
307.10907	11.5
313.11877	2.8
320.47876	1.3
321.08649	1.8
323.10321	3.5
339.09766	2.6
392.19858	1.8
410.36276	1.3
414.18277	1.4
416.15891	1.6
432.19281	2.6
460.18832	44.3
461.19287	6.4
476.18198	2.4
496.36929	2.4
504.17780	100.0
505.18112	13.8
536.20416	54.8
536.27216	1.3
537.20648	7.1
609.02625	1.5
609.23157	3.7
627.24268	6.1
659.28552	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	657.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.3
59.01382	71.0
69.41875	10.3
70.40693	1.0
71.01385	30.5
72.99315	2.4
73.02947	26.2
80.85049	1.0
81.03423	1.4
83.01396	8.2
85.02953	4.5
85.06610	5.5
87.00907	1.7
89.02453	16.3
101.01788	1.8
101.02446	33.8
102.02835	1.5
109.02986	2.4
111.65285	1.0
113.02444	11.9
113.06078	2.4
119.03519	6.2
119.04983	1.4
124.40806	1.1
127.07729	1.2
131.03517	2.8
131.07156	31.0
135.04527	2.1
140.64540	1.3
143.03467	4.1
149.04559	7.3
151.03958	1.4
155.03510	1.2
161.04553	12.2
163.04065	3.3
179.03552	2.3
202.36365	1.1
221.06659	3.8
293.12427	100.0
294.12756	5.5
319.14056	1.5
320.96768	1.1
341.08173	1.2
371.10681	1.1
380.71094	1.4
404.69882	1.1
559.74152	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	657.257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66956	2.2
59.01379	27.9
61.98816	10.7
71.63046	2.9
72.99305	6.5
79.95753	2.6
80.05070	14.5
82.62596	2.4
94.06659	5.4
96.95426	3.5
96.96016	44.9
99.00877	4.7
104.05041	4.2
106.06640	5.9
107.03758	5.0
107.24246	2.3
108.04556	31.1
116.92879	3.0
117.03461	2.6
120.04518	6.3
120.08179	2.8
121.02932	2.6
121.05348	4.4
122.06125	60.2
130.06631	2.6
132.02197	2.3
132.04535	8.3
133.02959	10.7
134.06120	12.7
135.04539	16.5
135.08144	7.5
136.04871	3.1
136.07596	3.2
137.02429	3.1
144.08180	3.5
145.02954	7.2
146.03284	2.8
148.04030	6.7
149.02475	3.8
149.06026	5.3
150.05582	58.0
150.06850	51.6
151.05904	2.5
152.07158	6.2
160.03975	7.0
160.06380	10.2
161.02463	26.7
161.04591	3.7
162.02791	9.3
162.05516	4.6
163.07620	7.5
164.08429	6.2
172.07715	4.9
174.05562	5.2
179.03517	9.5
179.10803	29.3
180.03851	2.7
186.05516	2.0
190.05086	7.2
197.04539	3.8
198.04912	3.7
201.10321	5.9
213.10312	44.1
214.10637	2.8
223.08772	5.1
225.10234	4.2
226.10889	4.7
227.08376	2.9
229.09856	11.9
237.10274	3.1
239.11900	26.0
241.09718	4.4
241.13464	22.6
242.10567	3.1
243.11360	6.2
251.08223	4.4
251.11902	5.5
253.09506	2.4
257.12946	10.1
259.10883	42.4
260.11246	2.8
265.09705	7.0
267.06403	2.8
268.07034	5.7
269.09360	3.6
276.08734	2.9
279.07693	8.3
281.09338	3.9
282.09955	2.2
285.09137	5.3
285.12442	87.8
285.15707	4.8
286.12683	7.4
291.07715	9.0
293.09344	9.5
293.12930	15.3
295.14355	4.3
301.11899	16.0
311.05539	3.4
311.10345	6.3
312.05917	6.4
313.06372	4.9
321.08762	11.0
323.10330	3.2
328.10825	4.5
330.15930	2.6
332.43552	2.4
337.08160	3.1
339.09750	3.2
342.12405	4.2
343.13327	4.5
344.14008	3.7
353.11359	7.0
356.17892	3.3
357.14948	4.3
358.15656	22.4
359.16190	4.2
370.11761	5.8
371.16214	4.3
372.16864	4.1
384.13452	7.6
385.13968	4.9
398.15015	3.2
399.15686	3.0
400.16653	27.3
401.16962	3.6
412.16562	6.0
432.11353	2.1
461.31094	3.0
479.20892	5.8
480.34610	9.4
494.36081	4.8
495.36877	100.0
496.37289	6.7
510.11301	4.8
511.11295	13.1
521.21967	47.0
522.22021	8.2
533.21265	3.0
534.18604	7.6
563.23004	77.2
564.23096	15.5
565.20972	59.0
566.21008	12.2
577.20996	2.8
581.23822	8.9
597.23645	20.3
598.23596	4.4
607.22052	84.7
608.22192	16.0
625.23059	39.1
626.23260	7.7
639.24689	16.0
640.25024	4.0
657.25305	23.2
657.42383	4.4
658.25946	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	657.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27571	1.0
55.01556	1.3
59.01139	1.4
59.01384	17.9
61.64263	1.3
61.98820	7.6
67.27219	1.1
69.36867	5.6
69.37291	4.4
70.99623	1.1
71.01384	2.0
72.99311	17.9
73.99660	1.9
74.99713	1.3
78.95884	1.3
80.05031	2.9
82.03010	1.5
89.02434	1.2
93.03442	2.2
94.06619	14.9
96.96010	5.2
101.02389	1.2
102.92997	1.1
104.05000	1.3
107.03802	2.8
109.02960	2.1
113.02460	2.0
116.92851	1.3
117.03452	4.3
118.03747	1.4
119.04977	4.0
120.04579	1.2
120.08193	10.2
121.03001	1.2
122.06124	100.0
123.04525	6.6
123.06433	4.1
124.04819	1.8
130.06548	1.2
132.04497	1.8
133.02972	12.8
134.03319	3.8
134.06105	3.2
135.03593	2.1
135.04527	21.8
135.08116	4.8
136.04845	6.4
136.07646	3.4
137.04977	1.4
145.02953	6.9
146.03255	3.6
148.04010	1.4
149.02403	3.3
150.03122	1.3
150.05556	1.9
152.07140	2.2
155.97781	1.1
158.02480	1.3
160.04008	1.4
161.02448	51.0
162.02794	20.4
162.05559	1.5
163.02864	7.6
163.04153	2.0
174.05592	1.4
177.02002	1.3
179.03468	12.7
180.03813	4.4
181.05159	1.9
188.07590	1.3
190.05069	3.3
197.04536	18.1
198.04884	7.7
199.05016	4.7
201.93831	1.1
211.12483	1.1
213.10356	1.9
223.08897	6.3
224.09456	3.3
225.10251	2.6
235.08618	1.7
235.12262	2.1
237.10289	4.4
238.11044	3.4
239.11894	5.6
241.13510	3.1
249.06709	2.4
249.10373	2.8
250.07468	1.4
251.06973	8.2
251.11879	5.0
252.07411	5.6
253.07613	2.9
257.12814	3.4
259.10873	2.2
263.08163	4.1
264.08987	7.6
265.09808	9.7
266.10385	2.3
267.11118	2.2
271.10873	2.2
276.08963	2.6
277.09760	6.4
278.10562	3.1
279.08276	2.0
279.11325	15.8
280.08746	1.4
280.12012	3.5
281.09277	3.1
283.05917	1.6
283.10788	2.8
285.12399	2.9
291.11368	5.2
292.12097	3.6
293.09357	3.5
293.12851	4.0
295.06149	5.7
295.10739	3.4
296.06485	4.3
297.06610	2.9
299.10318	2.6
301.11783	3.5
311.05588	3.2
312.05936	2.3
313.06662	1.3
320.42804	1.2
323.10187	1.7
324.11130	2.1
325.11832	1.6
329.06702	7.1
330.07141	7.8
331.07217	7.8
337.11801	1.6
344.08588	1.4
346.19272	1.3
348.08185	1.4
356.14081	1.5
357.14792	1.7
358.15643	3.1
359.07562	3.6
359.16196	3.2
360.08051	3.1
360.17090	3.1
361.08340	3.0
372.17236	5.8
374.18631	2.2
386.14621	2.8
386.19012	2.0
387.19577	1.5
398.15176	2.5
400.16757	3.2
401.17368	2.0
402.18121	3.0
412.16565	1.2
413.17172	3.0
414.18106	5.5
415.18777	2.7
417.17020	1.8
418.17413	2.8
431.18646	3.3
441.16736	2.2
458.17328	6.8
459.17831	8.5
460.18073	1.3
461.31122	1.9
473.14624	2.3
481.22021	1.3
487.34238	1.5
490.19666	3.1
491.20081	1.9
493.10745	3.5
494.11368	3.7
495.12109	7.6
495.23495	1.9
495.36377	1.4
502.16083	3.5
503.17139	6.3
504.17111	1.9
534.18524	6.8
537.25238	7.6
538.24603	1.9
553.24646	7.0
563.22809	4.3
565.21515	1.7
581.24060	32.5
582.24365	5.6
597.23651	2.2
607.22046	7.0
613.26276	2.6
625.23029	43.1
626.23407	6.9
657.14508	2.9
657.25586	55.6
658.26013	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	657.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25322	0.7
59.01381	100.0
61.98841	1.2
69.63899	3.7
69.64291	1.3
74.96352	0.6
85.02977	0.7
94.58309	0.6
100.95984	0.6
108.25208	0.6
110.30997	0.6
119.05036	0.8
133.02919	0.9
135.04559	1.9
137.02502	3.8
151.04015	2.3
161.02455	8.7
164.01263	0.8
165.01932	37.2
166.02325	1.5
172.89578	0.7
176.04713	3.7
177.01912	2.2
179.03497	21.5
180.04283	28.2
181.04678	1.5
194.05830	13.5
195.06621	48.2
196.07074	3.0
197.04567	0.7
199.09724	1.5
201.48654	0.7
209.08189	27.0
210.05325	6.9
210.08530	1.9
211.65051	0.7
225.07683	91.1
226.07950	5.7
241.10913	0.9
267.62531	0.6
329.10126	0.8
357.09796	3.3
372.12146	5.3
373.12637	0.8
387.14490	29.3
388.14673	3.5
435.16586	22.0
436.16895	2.5
459.09232	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	657.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	0.8
59.01371	3.2
60.89156	0.6
69.53619	0.5
76.47310	0.5
76.67727	0.6
79.05529	0.8
83.76048	0.6
87.68711	0.5
95.05006	0.7
107.03825	0.8
108.04607	0.6
113.83881	0.6
120.04555	2.2
121.05324	1.6
122.06126	5.8
132.04523	1.0
134.06126	1.6
135.04471	0.8
135.06911	1.4
136.07680	11.3
148.07635	0.7
149.06064	1.4
150.06859	7.5
152.07158	2.4
161.07149	0.9
162.05562	0.7
163.07637	1.1
164.08423	1.1
171.11781	1.9
179.10748	4.3
181.98161	0.5
184.07645	0.8
190.05083	2.8
198.09216	1.7
199.09990	2.0
214.12383	11.1
215.12671	0.7
226.07584	0.7
227.08339	1.6
228.09021	1.3
229.09840	4.8
230.11812	3.9
241.09807	7.2
242.10594	16.7
243.10886	0.9
256.12131	0.9
257.12946	79.9
258.13229	6.0
283.11139	0.9
300.10947	0.7
301.11926	100.0
302.12210	8.4
305.05078	0.6
333.77148	0.6
355.12997	6.3
373.66965	0.7
480.34512	1.9
495.36862	16.4
496.37137	1.3
558.52374	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	657.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62252	2.2
54.65259	2.6
59.01378	37.0
61.98835	11.8
71.01385	5.9
71.64359	3.3
72.99314	22.3
80.05067	10.7
85.02952	3.5
88.50750	2.3
88.98830	2.6
94.06643	2.5
95.04990	2.6
96.96007	5.9
101.02451	5.3
106.06633	6.0
108.04562	10.2
109.02984	7.4
110.06092	2.5
113.02429	4.0
115.92082	3.2
116.38844	2.4
116.92828	7.4
119.05061	13.3
120.03743	4.2
120.04560	62.1
120.08182	3.3
121.02920	4.0
121.05331	5.0
122.06121	33.9
123.04522	6.6
126.90496	3.1
130.06618	3.5
132.04575	5.7
133.02954	15.5
134.06117	10.6
135.04526	31.9
135.08200	3.0
136.04001	3.2
136.07663	3.7
137.02457	3.6
138.05646	15.3
139.04027	3.7
139.98129	2.5
145.02911	7.1
148.04047	7.1
149.02403	6.2
149.06154	2.8
150.03212	3.7
150.05597	21.9
150.06868	23.9
152.07188	13.0
160.04013	8.3
160.06392	11.1
161.02446	41.5
161.04704	2.6
162.02797	7.5
162.05602	3.8
163.04012	6.7
163.07620	4.4
164.08508	4.1
168.06686	19.7
174.05618	11.4
176.03555	3.4
177.02054	3.2
178.09872	2.5
179.03500	21.6
179.10771	11.1
179.79712	2.4
180.03836	3.3
190.05119	7.6
197.04526	6.4
209.11812	7.0
210.12151	3.4
213.10341	44.2
214.10609	4.4
219.53786	2.6
223.08771	3.8
225.10460	4.1
226.11089	4.1
231.11382	3.0
235.08755	3.0
237.10292	3.2
239.11917	27.4
241.09766	5.0
241.13478	20.2
243.11479	4.7
251.08179	3.9
251.11896	4.9
253.34705	2.5
255.06522	2.5
257.12994	7.8
261.12448	4.9
263.08310	3.0
264.09100	3.7
267.06552	5.0
267.11383	3.8
278.10336	2.3
279.07892	2.7
281.09293	5.8
283.06165	5.5
285.12473	79.9
286.12680	4.4
293.09409	7.2
293.12982	13.1
294.10065	4.7
295.10962	5.6
301.11899	7.7
309.08566	5.2
311.05585	5.3
311.10342	11.0
313.07126	5.2
316.14853	3.0
321.08844	4.8
328.10870	3.8
329.11383	5.9
339.09778	25.3
340.10413	3.3
341.11505	3.6
342.12506	2.8
343.13266	7.6
344.14026	4.6
353.11066	3.7
354.12064	9.4
355.09241	6.0
356.14111	3.7
357.14676	4.6
358.15628	28.0
359.15887	4.7
370.15683	3.8
371.12650	13.9
371.74005	2.6
372.13416	3.7
384.13541	9.9
385.14130	6.3
398.10986	8.2
398.15030	9.5
400.16696	29.4
410.15155	2.7
412.16675	10.0
413.16840	3.6
440.96292	2.8
480.34528	4.9
495.36911	45.3
496.36945	4.4
502.16351	5.5
519.23401	3.0
521.22345	2.9
534.19061	8.0
539.23187	10.2
551.23029	29.0
563.22980	60.5
564.23309	13.9
581.24030	52.9
582.24500	9.2
584.22778	3.9
595.21912	24.6
607.21881	46.4
608.22119	10.0
625.22980	100.0
626.23389	22.4
627.24451	8.2
639.24829	18.5
640.25464	3.8
657.25208	31.1
658.25488	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	657.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82615	1.8
69.83033	3.1
71.01380	1.8
81.03432	1.2
83.62707	0.9
87.00909	1.0
90.79078	0.8
92.35799	0.8
93.03459	24.7
93.35755	0.9
98.20596	1.6
101.02437	1.0
102.39453	0.8
108.02159	2.2
109.02954	100.0
110.03284	2.7
115.05491	1.0
121.03012	1.3
123.04508	2.5
129.03358	0.9
131.04999	2.4
133.02979	6.9
135.04524	11.6
137.02443	52.3
138.02740	2.5
144.85374	1.1
145.02924	2.2
146.03705	1.6
147.04533	7.2
151.03998	1.3
158.03827	1.2
159.04512	33.4
160.04962	2.1
161.02443	5.4
163.03998	2.6
173.02444	1.0
175.04039	6.4
179.03508	5.1
184.10672	0.8
191.03481	1.7
198.06818	1.4
199.07582	1.3
203.03493	26.0
204.03934	1.9
223.07648	1.0
225.05537	1.3
237.05562	2.5
239.07231	1.2
247.02463	3.3
251.07133	2.8
252.07796	1.7
253.04909	1.6
254.05832	5.1
255.06427	1.9
267.06604	4.2
268.07315	1.2
269.08194	41.7
270.08548	4.3
295.06061	2.1
299.07822	6.2
300.08221	1.0
313.07175	26.4
314.07468	2.0
357.06155	88.3
358.06497	6.2
478.97324	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	657.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
61.98820	0.5
69.49670	1.6
69.50086	1.8
72.99317	1.5
77.03966	0.9
83.02406	0.5
91.05534	0.7
93.03436	0.9
95.05045	1.0
96.19070	0.4
105.03453	3.5
107.05029	1.5
109.02947	9.3
117.03471	1.4
120.99647	0.6
121.02952	0.7
123.04526	0.7
132.02206	0.8
132.20146	0.4
133.02956	32.1
134.03781	6.4
135.04524	100.0
136.04831	3.1
137.02469	1.4
145.02956	3.6
146.03728	0.5
147.04491	0.5
149.02466	0.8
150.03253	0.5
151.03976	0.8
159.04463	1.1
161.02441	23.7
162.02629	0.7
163.04004	2.9
172.20306	0.5
173.02428	1.6
174.03221	2.1
177.01921	23.3
178.02336	1.3
179.03496	51.4
180.03836	2.6
181.05078	2.2
181.06534	0.9
183.04445	0.5
193.06584	1.0
197.04533	0.5
197.06175	0.8
203.03473	0.9
208.05284	0.8
209.06055	7.9
213.05519	0.9
219.04495	1.6
220.05336	1.1
221.06052	2.5
224.04807	0.6
225.05580	0.8
233.06017	0.8
235.07600	1.0
236.04799	0.8
237.05556	30.3
238.05998	3.6
239.03496	0.9
240.04247	2.0
241.05142	1.6
242.05910	0.5
243.06589	0.5
247.03885	0.7
247.07713	0.5
248.04735	2.5
249.05312	0.8
251.07204	0.5
252.04218	0.5
253.05032	2.3
254.05769	2.4
255.06621	5.4
261.05582	1.5
262.06418	0.8
263.03622	0.6
263.07092	2.0
264.04211	2.2
265.05045	31.9
266.05756	17.0
267.06558	14.6
268.07059	1.4
273.05399	0.6
274.06314	0.5
277.05057	1.2
278.05786	1.0
279.06583	4.8
280.07065	0.6
281.04498	1.3
282.05316	3.2
283.06073	7.9
284.06213	0.7
290.06027	1.1
291.06644	15.2
292.07172	2.4
297.07663	1.5
313.07123	1.2
335.05673	1.8
343.08383	1.8
367.08188	0.6
369.59314	0.5
383.09705	0.5
401.10315	16.1
402.10532	1.8
433.12708	0.7
445.09323	12.7
446.09656	1.7
451.18423	0.8
463.10358	1.1
477.12006	1.1
487.80411	0.5
495.12686	1.0
514.52887	0.5
515.09875	1.0
625.13562	5.6
626.13892	0.7
657.16132	25.4
658.16132	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	657.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
60.61829	0.6
71.01384	1.8
71.61764	1.0
85.02947	2.2
85.24701	0.7
89.02431	0.7
95.01364	1.9
104.30341	0.7
108.02172	54.1
109.02980	16.7
113.02486	1.1
121.02945	1.0
123.00847	1.0
128.06882	0.8
151.03998	1.3
152.01160	45.2
153.01947	17.9
163.03967	1.9
165.01892	0.8
187.26086	0.8
229.13414	0.7
315.07211	100.0
316.07578	8.4
327.26932	0.7
464.70001	0.8
490.40936	0.7
514.87476	0.7
547.85443	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	657.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	57.4
60.01719	0.6
61.98824	2.4
85.06558	0.6
100.59795	0.5
135.04501	1.9
137.02443	3.9
151.04047	1.3
161.02435	4.3
165.01927	35.6
166.02321	1.0
176.04791	1.8
179.01981	1.1
179.03490	11.9
180.04280	28.7
181.04564	1.0
184.63049	0.6
191.07053	0.6
194.05844	8.0
195.06621	46.0
196.07079	3.0
209.08200	24.3
209.10234	0.9
210.05338	8.2
210.08421	0.9
225.07680	100.0
226.08002	4.8
229.32832	0.7
435.16544	6.7
436.16937	1.1
436.35281	0.6
623.33704	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	655.406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.2
61.98814	2.9
66.17288	1.1
71.01375	4.0
71.62726	1.1
72.99292	1.8
85.02963	1.6
88.98804	1.1
95.96508	0.9
96.95444	1.0
96.95969	5.2
101.02415	2.4
112.40375	1.0
113.02436	1.5
120.05801	3.9
121.02916	1.1
123.04529	2.2
133.02954	3.3
135.04533	5.6
135.08176	18.5
136.05283	4.4
149.06084	4.6
150.06863	52.6
151.07642	12.1
153.51707	0.9
153.59152	0.9
161.02460	12.8
161.04514	1.5
162.02818	1.6
162.06842	1.8
163.07642	9.1
164.08414	11.2
179.03462	2.6
179.10782	25.0
180.11115	1.9
181.05049	1.8
197.04457	1.4
203.22591	0.9
242.08275	1.8
267.06592	1.4
311.05576	3.1
311.25854	1.2
313.23853	16.1
314.24063	1.9
320.29773	1.1
325.62439	1.0
343.08115	2.3
433.33157	1.8
434.33832	1.1
441.28455	2.5
451.34085	1.5
459.29691	3.5
475.34006	4.2
476.34534	1.3
478.32983	3.2
492.34573	6.7
493.35278	29.7
494.35635	4.2
535.36615	1.2
595.38947	4.6
611.25458	1.2
613.39856	3.9
655.40649	100.0
656.40930	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	656.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07269	1.4
57.03446	2.0
59.01383	100.0
59.10686	1.5
61.98831	77.2
71.01388	7.6
71.66006	2.1
73.02947	3.2
79.07260	1.7
79.42291	1.6
85.02972	7.8
86.06690	1.5
88.48734	1.7
101.02417	4.0
104.90829	1.5
109.02950	2.0
109.78613	1.6
112.70284	1.4
113.02435	7.1
120.98921	1.5
125.65415	1.6
126.90515	3.0
133.02882	2.2
134.03615	1.8
135.04549	8.4
137.02477	2.1
143.03459	2.9
145.02928	1.7
150.06758	3.4
161.02438	8.6
179.03491	4.2
271.06122	2.3
299.26059	2.7
318.75558	1.6
336.15430	1.7
345.29880	9.5
421.29471	3.4
472.49200	1.8
489.34326	76.8
490.34918	12.8
495.36789	5.8
507.35446	13.6
549.36237	6.5
550.36841	2.5
657.15045	1.7
657.38873	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	657.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97290	1.2
59.01360	1.7
69.09993	1.1
71.01372	1.1
71.64229	2.1
77.02725	1.1
83.37367	1.2
90.99450	1.2
93.03463	18.8
108.02163	3.3
109.02956	100.0
110.03291	2.7
116.12337	1.3
121.03039	1.5
126.76135	1.2
131.05002	1.8
133.02979	6.1
135.04520	10.0
137.02454	37.0
138.02821	2.0
143.24126	1.3
145.02939	1.4
146.03696	1.6
147.04501	5.1
159.04521	33.9
161.02457	5.7
175.03998	5.2
179.03433	4.7
191.03441	1.6
203.03499	20.7
212.20781	1.3
220.72189	1.5
227.06995	1.3
239.07028	1.6
241.70003	1.3
247.02516	2.7
251.07266	2.1
253.05026	1.8
254.05966	5.9
255.06525	2.4
267.06635	3.7
269.05292	2.1
269.08194	39.7
270.08600	3.6
295.05994	2.3
299.07523	5.9
313.07156	25.8
357.06140	70.0
358.06378	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	655.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
68.07808	0.9
69.03449	1.0
71.01385	4.7
71.62181	1.6
72.99320	2.0
73.02943	2.1
75.00881	24.5
82.18037	0.8
87.00874	6.5
89.02437	5.7
89.33918	0.8
95.50765	0.9
96.40430	0.8
97.02940	4.7
109.02927	1.1
117.01953	8.1
119.05030	40.3
119.05898	2.0
120.05379	1.5
121.02947	2.6
125.01518	1.1
125.02451	24.6
135.03003	100.0
136.03304	1.9
137.02499	1.0
145.02927	1.1
153.05533	1.3
153.93756	0.9
163.04018	83.3
164.04349	4.9
173.59467	0.9
179.03481	1.1
197.04533	3.9
208.12938	0.9
254.06693	2.7
281.06668	16.8
282.07043	2.2
293.12527	1.1
329.08737	1.2
357.58252	1.1
390.77188	0.9
399.47870	1.0
438.64548	0.9
496.72055	0.9
541.03833	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	655.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.0
59.98244	0.8
61.98833	1.1
69.47249	5.5
69.47663	1.8
71.01360	0.9
80.05053	8.0
94.06613	16.2
104.05061	2.4
106.06625	2.2
107.03782	1.0
120.04516	3.0
120.08176	1.5
121.05386	2.1
122.06120	89.9
122.77734	0.8
123.06451	2.5
130.06584	1.3
132.04527	2.7
133.02950	2.2
134.06105	5.5
135.04517	2.1
148.04073	2.1
150.06825	1.4
151.07607	1.7
154.46303	0.7
156.56079	0.9
158.02396	0.8
160.04030	2.6
160.06384	6.2
161.02443	7.2
161.04678	1.6
172.07675	0.9
174.05595	7.8
179.03474	1.9
179.10818	0.8
186.05603	1.9
190.05058	2.7
191.10760	1.3
197.07106	1.0
198.08040	1.0
209.11848	15.8
213.10342	22.6
214.10664	1.7
215.11880	3.7
222.07837	0.9
223.08797	1.7
225.10274	2.2
226.11040	1.4
227.12799	1.3
235.08612	0.7
237.10252	2.6
239.11884	17.5
240.12268	1.5
241.13449	11.2
249.06712	3.7
249.10236	1.0
250.07320	2.6
251.08075	0.9
251.11855	5.1
253.09592	1.9
255.11232	0.8
256.78189	0.7
263.08334	1.4
264.08920	1.0
265.06284	1.3
265.09753	7.6
266.10498	2.8
267.11340	2.9
277.06049	0.7
277.09683	1.2
278.06888	0.9
279.07724	1.3
281.09329	11.7
282.09525	1.0
283.10852	2.6
285.12424	31.9
286.12830	2.4
291.11456	0.9
293.09277	8.7
293.12976	4.5
294.09912	1.7
295.10849	2.4
309.08875	1.4
309.12463	1.2
310.09491	1.2
316.14459	1.9
325.11957	8.0
327.10059	1.4
328.10886	2.8
332.17657	1.6
340.14526	1.6
341.11731	1.1
342.12317	2.1
343.13223	3.2
344.13895	3.3
356.13968	5.6
356.17865	1.7
357.14728	2.8
358.15573	8.4
359.16092	1.5
368.10339	2.2
369.10849	1.9
369.14844	1.3
370.11877	3.6
370.15808	1.9
371.12256	1.1
372.17120	2.6
382.11731	2.2
384.13293	9.7
385.13947	3.7
396.13712	1.9
397.14398	2.7
398.15045	9.6
399.15781	4.3
400.16681	16.0
401.16940	1.8
410.15479	1.2
412.16745	7.2
413.17038	1.4
426.14459	1.3
444.15298	1.2
457.16876	1.0
458.17032	1.4
463.21466	1.4
465.23019	1.5
467.24481	1.5
477.19318	1.4
478.19864	2.2
479.20648	1.7
491.20779	1.8
493.22156	2.3
494.22702	1.3
505.23035	1.5
507.23788	2.7
511.23483	1.8
519.20111	1.9
533.22205	4.1
534.22424	1.4
535.23602	17.0
536.23859	3.6
537.21588	1.8
538.22211	1.7
551.23108	10.7
552.22961	2.3
561.21069	6.3
562.21619	1.2
577.21008	2.0
579.22479	50.4
580.22760	9.6
582.21228	1.2
595.21796	2.4
595.38232	1.6
605.20496	11.0
606.19830	1.0
611.24713	1.9
623.21436	100.0
624.21692	20.2
654.39447	1.6
655.24048	43.1
655.40637	3.9
656.24493	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	655.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
63.39801	0.2
69.43224	1.3
69.43633	0.6
70.14598	0.2
70.48383	0.2
71.01385	0.4
71.54238	0.3
72.99300	3.0
85.02934	0.3
93.03414	0.3
94.65426	0.3
95.01387	0.2
98.19810	0.6
105.03465	0.4
109.02953	2.4
117.03485	0.4
119.05028	4.8
120.34811	0.2
121.02968	0.9
122.06138	0.3
123.04518	0.7
125.24529	0.3
132.02176	1.1
133.02957	19.6
134.03360	0.6
135.04521	12.3
136.04819	0.5
145.02959	0.8
147.04468	0.3
149.02449	4.0
150.03227	3.3
159.54114	0.3
161.02446	100.0
162.02786	4.2
163.04016	9.0
164.04373	0.3
179.03500	5.0
180.03879	0.3
181.05067	21.0
182.05421	0.8
197.04596	1.8
202.02762	0.2
236.56676	0.2
237.05672	0.3
238.06374	0.4
239.07159	0.5
242.08307	0.4
249.05414	0.4
250.06206	0.5
251.07039	0.3
267.06628	6.5
268.07254	0.6
283.06171	1.2
293.04541	0.6
311.05600	8.8
312.06088	0.9
313.07150	1.0
337.03625	0.5
343.08215	31.2
344.08606	2.7
359.07690	3.7
360.08051	0.4
396.76389	0.3
475.10510	0.6
503.33911	0.3
537.19843	0.3
595.38550	0.5
677.65613	0.3
677.77216	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	655.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09591	0.2
59.01381	0.4
60.18170	0.2
69.87033	0.4
69.87318	1.3
72.99307	2.0
77.03952	0.3
88.98819	0.3
93.03469	0.5
98.19908	0.4
105.03458	0.4
109.02946	2.3
114.31776	0.2
117.03446	0.5
119.05029	6.0
121.02956	0.7
123.04500	0.7
130.41266	0.2
131.70483	0.2
132.02173	0.7
133.02956	20.0
134.03389	0.8
135.04526	11.6
136.04837	0.3
145.02986	1.2
147.04501	0.3
149.02449	3.1
150.03232	2.3
151.04024	0.3
159.04428	0.3
161.02441	100.0
162.02763	3.9
163.04004	9.5
164.04300	0.5
173.02313	0.4
174.03236	0.6
179.03485	4.2
181.05064	21.4
182.05414	0.7
186.58862	0.2
197.04591	0.5
201.01688	0.2
209.06078	0.2
209.11819	0.3
211.07680	0.4
237.05626	0.4
239.06940	0.4
250.06291	0.5
265.04999	0.3
266.05786	0.5
266.35980	0.2
267.06604	8.8
268.06989	0.6
283.06079	1.9
293.04578	0.6
311.05606	12.6
312.05902	1.2
313.07196	1.2
325.06744	0.3
329.06607	0.3
337.03546	0.7
343.08215	29.9
344.08588	3.1
359.07666	0.2
429.64618	0.2
457.62146	0.3
475.10458	0.7
493.35190	0.4
509.10672	1.7
515.42371	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	655.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59756	0.2
50.66733	0.2
59.01379	0.3
69.41851	1.2
69.42277	1.1
72.99300	1.3
74.28584	0.2
84.11414	0.2
88.98802	0.3
93.03462	0.4
98.19807	0.4
100.00565	0.2
100.72189	0.3
101.68383	0.3
107.05032	0.3
109.02965	2.3
109.77294	0.3
112.63255	0.2
112.89658	0.3
119.05027	5.1
120.26804	0.2
121.02969	0.5
121.93261	0.3
123.04544	0.3
132.02187	0.9
133.02957	19.4
134.03523	0.4
135.04524	9.9
136.04878	0.5
145.02928	1.1
147.04547	0.3
149.02461	2.6
149.57736	0.3
150.03215	1.1
161.02443	100.0
162.02773	4.4
163.04007	10.4
164.04347	0.6
173.02463	0.5
174.03279	0.3
179.03487	4.2
179.04924	0.4
181.05061	22.5
182.05481	1.2
197.04457	0.5
197.06068	0.3
209.11809	0.3
211.07643	0.5
232.85612	0.3
237.05502	0.4
239.07143	0.3
249.05663	0.5
250.06328	0.5
251.06943	0.2
255.06517	0.5
267.06619	8.4
268.07065	0.9
283.06027	2.0
284.75775	0.3
293.04440	0.6
311.05612	14.5
312.06079	1.8
313.07214	1.0
337.03500	1.0
343.08215	30.3
344.08575	3.7
475.10498	1.0
509.10938	0.9
598.86176	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	654.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98827	7.6
67.28254	1.8
69.33349	16.8
69.33750	3.2
71.01389	4.7
72.99317	2.8
75.19698	2.1
77.03031	2.0
77.30886	1.7
85.02908	2.1
93.03486	2.0
93.07722	2.1
101.38770	2.6
106.06629	5.1
109.02969	2.4
120.08192	2.1
121.05338	37.8
122.06120	4.3
132.04568	24.6
133.02937	5.7
134.06116	73.3
135.04526	14.6
136.07672	13.7
137.02435	4.4
144.04549	9.2
145.02885	2.7
146.06137	2.9
147.03249	2.2
149.04788	2.7
152.07138	5.5
158.02483	4.2
158.06108	5.7
160.04050	3.4
161.02438	15.1
162.05574	4.7
176.03525	11.9
179.03473	7.8
190.05070	20.4
191.05862	3.7
193.79843	2.1
194.08238	6.4
202.05107	4.6
203.05907	4.0
204.06693	3.9
223.08762	3.0
235.08746	5.8
236.09573	5.2
237.10262	4.0
239.08185	6.3
243.52946	2.4
249.10271	7.3
250.10924	2.0
251.08192	4.9
251.11929	23.8
263.08273	6.9
264.08890	2.5
265.09796	6.0
277.09845	8.9
278.10538	5.4
279.07721	9.5
279.11380	23.9
280.08548	5.6
280.11609	3.1
291.07730	2.3
292.08432	3.8
293.09293	8.9
294.10065	4.5
295.10913	17.1
305.09418	10.1
306.10190	4.2
307.10843	3.3
309.08884	3.0
309.12540	6.2
310.12991	3.5
311.05215	2.6
320.92639	2.3
323.10339	48.6
324.10730	5.0
327.13565	2.6
337.08066	4.1
337.11935	38.9
338.12668	16.8
339.13126	2.3
344.13843	3.0
354.12280	5.9
358.15640	2.7
359.16281	3.9
368.14066	4.3
370.11447	3.1
383.12418	20.8
383.16455	3.2
384.12570	4.8
385.14404	3.0
386.15192	11.2
397.14032	41.9
398.14603	31.2
398.19034	5.6
399.15085	2.9
400.17020	2.5
427.15262	4.1
430.13812	38.5
431.14053	3.5
442.17719	8.8
446.17169	2.4
458.20688	5.9
459.18210	5.9
474.20398	43.4
475.20773	5.5
487.17386	2.6
502.19864	22.7
506.22971	39.3
507.23032	6.3
519.20032	4.8
520.20374	2.8
534.22443	67.7
535.22638	12.2
538.21765	2.3
566.24976	15.3
567.25323	3.2
578.21332	21.1
579.21930	4.4
610.24133	44.5
611.24469	7.8
654.34174	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	654.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01715	1.7
61.98825	1.4
69.38203	2.3
69.38616	9.6
71.01391	1.9
73.34581	1.1
74.55737	1.1
74.61543	1.3
92.17553	1.2
103.00397	1.5
106.06635	5.9
109.02940	1.4
113.10178	1.4
121.05341	23.4
122.06126	5.3
132.04553	34.4
133.02953	1.7
133.04884	1.9
134.06128	67.2
135.04527	3.6
135.06470	2.2
136.04909	1.6
136.07689	7.7
144.04578	15.3
145.58290	1.3
146.06119	3.8
147.03195	2.3
149.04807	3.2
150.05635	2.2
152.07164	5.2
158.02415	3.7
158.06125	6.5
160.04044	3.1
161.02443	5.2
162.02797	2.6
162.05568	6.8
172.04077	1.9
176.03522	16.1
179.03508	3.4
180.03766	1.7
188.03543	4.4
190.05112	14.1
191.05821	6.1
192.06624	2.2
194.08203	7.2
202.05093	5.5
203.04192	1.4
203.05835	8.4
204.06651	6.7
205.07582	1.7
216.06602	1.4
223.08766	1.9
235.08705	8.0
236.09470	4.2
237.10240	3.7
239.08206	4.5
249.06718	2.0
249.10396	8.8
250.11031	2.7
251.08121	1.8
251.11916	19.2
252.12216	2.1
253.09976	1.3
263.08267	9.0
264.08957	3.8
265.09955	3.0
266.10532	1.4
267.11392	1.9
277.09827	6.0
278.07370	2.1
278.10562	7.3
279.08112	2.4
279.11359	41.0
280.08264	4.2
280.11603	2.9
281.09534	1.5
291.07779	3.9
292.08426	3.0
293.09396	7.4
293.12369	1.7
294.10037	4.7
295.10852	14.8
296.11325	2.3
297.12604	2.1
305.09271	6.0
306.09967	4.8
307.10837	3.9
308.07990	1.6
309.08890	3.3
309.12451	8.2
310.09796	1.7
310.13144	5.8
312.11325	2.6
323.10355	67.5
324.10754	8.6
337.11926	25.5
338.12656	27.3
339.13315	4.8
341.11383	5.1
352.10413	2.5
353.11887	1.9
354.12195	5.0
355.12784	1.7
358.15564	2.1
359.16107	1.9
368.13995	1.9
370.11761	5.0
374.18356	1.5
383.12433	29.1
383.16837	2.3
384.12894	2.8
386.15030	5.4
397.14023	16.9
398.14703	42.2
399.15143	6.4
412.12885	2.7
427.15271	3.3
430.13770	52.8
431.14032	6.5
442.17725	5.4
474.20297	17.4
475.20618	3.2
502.20044	4.1
503.20181	2.2
506.22906	57.6
507.23334	11.6
534.22510	15.0
535.22742	3.3
546.18610	2.5
550.22205	1.9
566.25012	43.8
567.25256	5.2
568.22748	3.9
578.21387	23.7
579.21619	3.3
610.24048	66.0
611.24371	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	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01933	0.5
55.01874	1.6
57.03439	1.3
58.00602	3.2
59.01384	40.0
60.01706	0.7
61.98838	3.8
64.38107	0.5
68.99833	0.7
69.03484	2.3
69.03790	0.4
69.49036	0.7
69.49443	3.1
71.01386	40.0
72.01717	0.6
72.99321	2.7
73.02950	5.9
75.00880	0.9
81.03462	1.7
83.01395	4.8
83.05018	0.6
85.02960	9.3
87.00878	10.6
89.02449	36.1
90.02784	0.5
91.03995	0.5
95.01379	2.2
95.05045	0.6
97.02956	6.7
99.00912	2.3
101.02448	33.1
102.02782	0.7
109.02969	1.0
111.00886	0.6
111.04514	0.7
113.02454	14.0
115.04024	0.8
119.03500	10.5
121.02977	1.2
124.17474	0.5
125.02451	14.6
127.05110	0.8
131.03473	2.0
137.02425	0.5
139.04010	1.0
141.01920	0.9
143.03516	7.0
145.06149	0.5
149.04561	1.5
161.04564	7.4
169.05026	0.8
171.40114	0.5
179.03975	0.7
179.05598	7.8
185.04610	1.0
190.50774	0.5
196.66374	0.4
199.06133	0.7
203.05537	0.6
217.07228	1.5
219.05109	0.7
221.06654	1.7
235.08231	16.2
236.08646	0.7
245.06657	0.7
253.09285	3.5
255.23297	100.0
256.23663	8.8
263.07748	1.8
269.24875	0.9
277.09271	1.7
287.07703	3.8
305.08804	5.0
323.09778	1.7
379.12531	1.3
397.13498	87.7
398.13882	7.4
415.14554	33.4
416.15057	2.5
471.34888	0.7
473.35516	1.2
653.42224	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	653.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03441	0.6
58.00593	0.6
59.01382	100.0
60.01711	1.3
61.98841	1.4
65.95893	0.4
71.01387	9.1
71.62418	0.5
71.62899	0.6
72.99303	0.8
73.02949	4.3
75.00879	0.4
83.01389	2.1
85.02955	5.1
87.00889	0.7
89.02467	1.0
95.01414	0.8
99.00901	1.3
101.02448	10.6
101.03069	0.7
109.02930	0.4
111.00914	1.5
113.02467	2.6
125.02493	1.6
129.09248	1.9
129.32224	0.5
133.02934	1.0
135.04549	0.9
143.03490	0.9
156.30736	0.5
159.02995	0.6
161.02502	2.1
161.04555	3.7
171.10323	1.9
197.47966	0.4
209.11870	1.1
263.16452	0.7
391.28928	1.3
449.36496	4.0
450.37384	0.5
473.36823	1.7
491.37744	1.2
493.35501	0.8
564.03241	0.6
575.40564	0.6
593.40735	7.8
594.41040	0.9
611.41693	8.7
612.42462	1.5
636.15308	0.5
653.31219	0.8
653.42816	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	653.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03451	0.9
57.34404	0.1
58.00602	0.7
59.01381	100.0
60.01702	0.9
61.98840	0.4
64.05587	0.1
67.01880	0.1
69.03461	0.3
70.22611	0.2
70.23005	0.5
71.01385	14.1
72.99323	0.5
73.02950	4.3
75.00889	0.2
81.03467	0.2
83.01389	2.6
85.02951	7.5
85.30216	0.1
86.03293	0.1
87.00869	0.8
89.02427	1.0
95.01395	1.2
97.02979	0.6
99.00881	2.0
99.08198	0.4
101.02447	9.9
102.02806	0.2
111.00898	0.4
113.02449	4.7
114.02834	0.1
115.04038	0.2
119.03510	0.2
125.02441	0.8
127.07711	0.1
129.01988	0.2
129.09232	2.3
135.04530	0.2
143.03497	1.0
159.02989	1.3
161.04559	6.6
175.30850	0.1
179.03719	0.2
203.05611	0.2
205.03563	0.3
209.11795	0.7
211.13419	0.3
223.13504	0.2
306.79596	0.1
309.20868	0.2
377.27420	0.2
443.34821	0.2
449.36411	3.9
450.36929	0.6
473.36307	0.3
491.37384	0.4
493.35559	0.4
545.38751	0.5
575.39777	0.5
593.31323	0.1
593.40564	4.7
594.40704	0.9
611.41656	16.9
612.41943	3.1
612.51215	0.2
653.43481	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	653.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19460	0.2
61.98804	0.3
62.96407	0.7
70.59698	0.7
78.95902	100.0
80.96507	0.5
94.98121	0.3
96.37769	0.2
98.93929	0.3
101.11868	0.2
149.00090	4.9
179.01123	0.5
183.19829	0.3
187.17781	0.3
196.55522	0.3
205.15968	2.8
225.11339	0.2
257.15521	0.5
277.21722	0.2
285.12668	3.4
286.13016	0.3
355.16754	2.5
380.71378	0.2
385.17505	1.3
417.12085	0.4
447.13394	5.7
569.30054	1.4
653.30084	54.5
654.30420	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	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.03435	1.2
58.00588	2.4
59.01382	38.0
61.98833	3.5
68.99818	0.3
69.03458	2.8
71.01383	37.9
72.01723	0.4
72.99306	3.5
73.02581	0.6
73.02953	6.5
75.00869	0.9
81.03454	1.5
83.01388	4.0
85.02953	9.6
86.00082	0.4
87.00876	9.4
89.02448	34.1
90.02794	0.5
91.04015	1.0
93.03410	0.4
95.01382	2.0
95.05058	0.4
97.02951	6.9
99.00894	2.1
101.02444	31.6
102.02771	0.7
103.03999	0.5
109.02959	0.6
111.00854	0.8
111.04513	1.3
113.02451	15.2
115.03989	0.7
115.44788	0.3
119.03504	10.5
120.03828	0.4
121.02930	0.7
123.00900	0.4
124.01618	0.4
125.02444	13.3
127.04001	0.7
131.03523	1.9
133.05069	1.1
135.04478	0.6
137.02391	0.4
139.04018	0.9
141.01920	0.7
143.03516	6.1
143.35777	0.3
144.03816	0.4
149.01361	0.3
149.04579	1.1
152.99655	0.5
155.03549	0.4
161.04536	6.9
167.03482	0.7
169.05084	0.5
176.23816	0.4
179.05611	7.1
180.05879	0.4
181.05193	0.3
185.04520	0.7
199.06148	0.4
203.05659	0.4
217.07166	1.2
221.06653	2.8
235.08215	14.3
236.08592	0.6
238.61453	0.3
245.06677	1.0
253.09343	3.9
255.23286	100.0
256.23657	8.3
263.07690	1.3
269.24792	0.7
277.09286	1.6
287.07715	3.4
295.10461	0.4
305.08759	4.4
306.09033	0.4
323.09595	1.9
361.11148	0.8
362.09677	0.4
379.12369	1.1
397.13498	83.1
398.13742	6.5
415.14557	31.7
415.20493	0.6
415.26218	0.4
416.14886	2.8
471.34906	0.9
472.35184	0.8
473.35254	1.6
531.19592	0.3
653.26324	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	653.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27697	0.2
59.01100	0.3
59.01384	4.4
61.98833	1.5
65.03150	0.2
66.36491	0.2
71.01378	2.6
72.99295	1.0
73.02944	0.4
81.89970	0.2
85.02962	0.6
89.02427	2.0
93.03445	1.8
95.01408	0.3
101.02442	0.9
105.03458	0.3
109.02943	2.2
111.00928	0.3
113.02447	1.3
117.03466	0.5
119.03542	0.6
119.05026	2.2
121.02946	0.7
123.04565	0.6
132.02156	0.9
133.02956	21.0
134.03458	0.5
135.04526	14.0
136.04840	0.6
137.02432	2.4
145.02979	1.4
146.03677	0.3
147.04501	0.8
149.02460	3.3
149.06062	0.8
150.03230	2.1
158.03761	0.2
159.04515	0.6
160.01682	0.4
161.02441	100.0
162.02789	4.5
163.04021	2.9
173.02336	0.3
174.03186	0.6
175.03955	0.7
177.01895	0.3
177.05589	1.5
178.02747	0.3
179.03493	22.6
180.03867	1.1
197.04555	0.4
201.01797	0.3
203.03528	1.9
205.05057	1.1
221.04448	2.1
221.06137	0.2
237.05563	0.4
239.07108	0.5
249.05602	0.3
250.06227	0.6
251.05501	1.3
255.06604	0.4
265.05054	0.5
266.05835	0.8
267.06610	9.6
268.06958	1.2
281.06616	2.4
283.06100	1.4
311.05600	11.2
312.06070	1.4
313.07150	1.5
323.07611	0.5
329.23325	0.3
329.73639	0.2
341.08759	51.2
342.09116	3.8
353.06595	1.6
413.13297	0.3
442.97897	0.2
447.10651	0.3
452.13644	0.2
455.13522	1.2
473.10944	1.3
491.09802	0.7
503.11923	0.3
507.13855	0.4
515.11957	0.5
653.32080	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	651.4111
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
56.90563	1.0
59.01381	16.6
61.98830	7.2
71.01378	21.2
85.02979	1.6
87.00896	1.5
89.02443	25.5
101.02434	10.3
104.92788	5.1
113.02457	6.4
119.03492	3.5
131.03476	1.9
135.82938	1.0
136.70599	1.1
143.03496	2.2
149.04532	2.5
161.04553	3.0
162.02859	1.0
179.05600	13.0
195.25711	1.0
210.70134	1.1
471.34772	100.0
472.35022	16.9
571.28436	1.6
626.93042	1.1
629.24384	1.1
651.25702	3.9
659.76471	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	652.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12383	0.6
56.01934	0.6
58.64110	0.5
59.01381	28.4
61.18395	0.6
61.98830	3.0
69.37681	5.3
71.01375	0.6
72.29330	0.6
88.98794	2.5
94.88059	0.5
98.95651	0.5
101.02490	0.6
103.00393	0.8
106.06631	4.2
110.69721	0.7
119.05020	1.0
122.06107	1.4
133.02921	1.2
134.06123	16.7
135.04561	3.8
145.02937	1.9
152.07195	2.0
161.02444	3.3
162.02773	0.9
163.04053	0.7
168.32622	0.5
176.07230	0.5
179.03513	2.2
181.05070	1.0
186.05580	2.3
194.08253	1.1
222.07916	0.6
225.10306	2.0
235.08694	2.9
237.10321	4.0
247.08774	1.0
249.06696	0.7
249.10313	2.4
250.07436	5.0
251.08142	1.9
262.07465	1.2
263.08179	4.6
264.08936	1.0
265.09784	10.5
275.08279	1.6
276.09036	2.9
277.09787	6.4
278.07001	5.7
278.09985	1.3
279.07416	0.5
290.06812	0.9
291.07776	4.2
291.11066	1.4
292.08319	0.9
293.09323	36.7
294.09686	3.7
304.08533	1.7
305.09329	11.5
306.10062	2.8
308.07809	0.9
319.10797	4.1
325.12051	0.9
337.08292	0.9
351.25095	0.6
371.91971	0.7
372.17108	1.0
384.17239	1.3
396.13477	1.1
397.14185	0.7
398.15012	0.9
412.16818	4.0
425.14001	1.2
438.14420	1.1
440.16049	6.6
441.16290	0.8
455.95361	0.6
458.16727	0.9
472.18948	1.4
484.15256	2.8
485.15054	0.8
490.14569	1.5
500.18176	10.6
501.18735	1.4
516.17975	1.2
532.20807	1.8
544.17224	100.0
545.17535	16.0
576.19855	20.2
577.20062	3.6
582.77814	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	651.4112
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
57.68254	0.4
58.00602	0.5
59.01089	0.7
59.01382	13.5
61.98819	1.5
70.06744	1.7
70.07116	0.9
71.01386	15.7
72.99310	0.5
73.55642	0.4
83.01362	0.9
85.02951	1.5
87.00851	0.8
89.02448	21.5
98.19861	0.7
101.02454	8.4
104.51389	0.4
104.92809	2.9
113.02460	5.1
119.03512	4.6
130.49049	0.4
131.03471	1.1
143.03520	2.3
149.04543	1.1
156.46024	0.5
161.04561	2.6
179.05598	14.6
244.69975	0.4
353.31827	0.4
366.23544	0.5
393.31500	0.6
423.32858	0.5
471.34781	100.0
472.35123	14.7
627.86627	0.5
651.25677	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	651.4113
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
51.27678	0.4
54.11245	0.4
55.01877	0.5
58.00597	1.3
59.01090	0.8
59.01384	15.9
61.98833	15.7
69.44961	3.8
71.01384	19.7
72.99303	1.3
73.02946	1.1
74.81625	0.4
83.01376	0.8
85.02969	1.4
87.00878	1.0
89.02447	26.8
90.02790	0.5
93.03454	0.9
95.01393	0.7
101.02450	9.9
104.92841	2.0
113.02449	5.8
119.03487	4.9
122.07665	0.4
131.03500	1.9
143.03543	2.4
145.02924	0.6
149.04517	1.6
161.04543	3.6
179.04068	1.0
179.05612	16.4
232.92120	0.4
237.10936	0.4
241.34586	0.4
286.89304	0.4
398.39609	0.5
407.33359	0.6
471.34784	100.0
472.35135	16.5
473.35318	0.5
511.26990	0.4
651.26031	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	651.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16385	1.2
59.01385	5.9
61.98828	2.9
68.45000	1.3
71.62568	1.8
78.95892	1.2
98.40980	1.2
116.92844	1.2
117.03462	13.1
119.05026	31.5
120.05338	1.1
121.02955	89.0
122.03274	3.4
122.75351	1.2
133.02924	3.5
135.04501	5.6
145.02953	58.6
146.03322	2.9
161.02425	5.3
162.02980	1.5
163.04001	8.3
178.02721	1.3
179.03477	4.2
279.97855	1.4
367.66714	1.2
404.17047	1.4
469.33423	1.7
489.24805	1.5
513.32159	11.8
529.35236	1.4
567.22864	1.4
589.39044	3.5
590.39178	2.6
615.36719	2.6
625.77301	1.4
633.37976	100.0
634.38312	22.5
651.39020	40.9
652.39270	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	651.411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90467	0.5
58.00586	1.2
59.01381	17.2
61.98841	3.6
70.15108	0.4
71.01384	25.0
71.62382	0.9
72.99299	1.2
73.02944	0.8
80.28561	0.4
83.01393	1.5
84.18866	0.5
85.02940	1.5
85.26997	0.5
86.78366	0.6
87.00881	1.4
89.02444	30.1
90.02840	0.5
95.01379	0.6
101.02446	11.6
104.92795	4.8
106.87542	0.5
113.02442	6.2
119.03503	4.3
125.02399	0.6
131.03474	2.5
143.03517	3.5
149.04585	1.2
161.04553	4.1
179.05635	15.5
209.62813	0.5
235.35719	0.5
256.34561	0.5
375.96164	0.5
440.42374	0.6
471.34790	100.0
472.35114	14.5
651.25006	2.4
660.94635	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	651.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16703	0.4
55.01861	1.2
57.03448	1.1
58.00589	1.6
59.01382	33.6
61.98829	1.2
68.99809	0.5
69.03451	1.9
69.41164	1.4
69.41586	2.7
71.01383	31.4
72.99301	2.3
73.02942	5.4
75.00864	0.5
78.95895	2.0
81.03464	1.7
83.01395	4.0
85.02953	6.9
86.44553	0.5
87.00871	9.5
89.02445	30.4
91.04013	0.9
95.01382	2.3
95.30009	0.4
97.02957	5.4
98.19865	1.0
99.00883	1.8
100.10033	0.5
101.02442	28.8
103.04058	0.8
111.00867	0.5
111.04523	1.0
113.02445	14.6
119.02742	0.8
119.03509	10.3
121.02934	1.1
124.01693	0.5
125.02449	11.7
129.01952	0.6
131.03510	1.3
133.05048	0.8
135.04478	0.7
138.70357	0.5
139.04013	0.8
141.01947	0.7
143.03494	5.7
149.02376	0.4
149.04544	1.4
152.99576	1.8
161.04546	6.2
165.70541	0.6
167.03426	0.7
169.05055	0.6
179.03415	0.7
179.05594	5.8
185.04626	0.5
217.07156	0.7
221.06618	1.7
223.74603	0.5
235.08217	13.4
241.64580	0.5
245.06796	0.7
253.09370	3.2
253.21712	100.0
254.22031	8.0
256.02939	0.5
263.07751	1.8
277.09317	0.7
277.21649	0.9
287.07690	3.9
305.08728	3.8
323.09738	1.6
361.11487	0.8
379.12466	1.3
397.13489	82.3
398.13754	6.0
415.14551	29.4
416.14896	2.1
487.34219	1.2
488.34882	0.6
489.35068	1.0
593.27356	2.1
651.27985	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	651.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21814	0.8
59.01367	5.3
60.41890	0.9
63.72534	0.9
68.53661	1.1
71.01382	2.4
71.61543	1.4
72.99334	1.0
74.63194	0.9
75.00869	2.8
75.10971	0.9
81.03428	1.0
85.06607	1.1
87.00814	1.3
89.02452	2.3
101.02451	1.4
108.02187	3.6
109.02956	100.0
110.03270	2.5
113.02419	1.4
115.00397	1.8
116.92817	1.2
119.05038	19.7
121.02882	1.0
123.04544	2.7
130.04214	1.1
131.05049	2.6
131.07140	7.9
133.02936	7.5
135.03001	11.3
135.04535	10.4
137.02432	1.4
145.02927	2.9
146.03743	2.2
147.04514	8.8
151.03947	1.6
159.04515	30.9
161.02417	4.2
163.03995	30.7
164.04381	1.3
175.02536	2.6
175.03998	9.0
179.03473	4.6
199.07669	1.1
203.03513	24.4
204.03973	1.3
223.07677	1.5
225.05569	1.3
227.07166	1.3
237.05814	2.7
247.02431	3.8
251.07071	2.1
253.05057	2.4
254.05832	4.4
267.06583	4.6
269.08197	42.2
270.08575	4.1
281.06726	2.3
293.12424	15.5
295.06116	2.4
313.07184	24.1
314.07465	2.9
325.09091	1.8
357.06149	82.8
358.06406	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	651.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51143	2.3
59.01382	100.0
59.41611	1.9
69.28839	1.9
69.28986	3.1
69.29425	18.9
69.99889	2.1
71.01392	12.9
71.37266	1.9
72.99288	3.0
73.02946	4.1
74.31673	2.0
80.49287	2.1
85.02967	5.6
89.02444	6.1
96.96002	5.2
101.02443	9.1
109.89407	2.4
113.02425	4.3
115.36200	2.1
116.92863	4.2
119.04976	2.6
133.02977	3.9
134.03757	3.4
135.04533	12.5
137.02429	2.7
145.02933	3.3
147.04497	2.8
161.02457	19.1
161.04593	3.2
163.03918	2.2
164.24153	2.4
169.50642	1.9
172.15941	2.1
177.02052	2.1
179.03523	4.3
187.26674	1.9
190.02106	1.9
193.04999	20.6
248.02222	1.9
256.11969	2.2
265.05093	4.6
309.04047	7.7
313.07016	4.6
353.19620	3.4
371.20721	8.9
413.21799	6.3
489.27066	6.8
490.27405	2.5
636.67523	2.4
650.40924	6.2
651.30505	3.9
651.40326	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	651.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
71.01391	0.4
72.99311	38.1
73.99634	0.4
89.03894	0.3
93.03474	0.4
94.43447	0.3
101.62305	0.3
105.03467	0.3
107.05051	0.9
109.02967	1.1
117.03484	0.7
119.05070	0.4
123.04527	15.0
132.02187	2.7
133.02959	33.0
134.03650	1.5
135.04526	34.8
136.04895	1.5
145.02956	1.0
147.04539	0.8
151.03986	1.2
161.02444	100.0
162.02777	4.5
163.04080	0.6
164.04448	0.3
179.03496	32.6
180.03864	1.0
196.16495	0.3
197.04549	49.2
198.04872	2.0
221.09439	0.3
237.39165	0.4
311.05249	0.5
339.05090	0.4
341.08850	1.1
359.07706	8.7
360.08139	1.1
471.12955	1.3
489.14020	39.2
490.14395	4.9
563.23993	0.4
600.69537	0.4
623.91870	0.3
651.17139	6.0
652.17444	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	651.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41789	0.5
59.01376	0.9
70.32085	0.5
71.01367	0.6
71.61600	0.6
72.99309	10.5
83.99346	0.5
86.71957	0.5
98.20621	1.3
105.03488	0.9
107.04991	1.1
117.03465	2.0
123.04507	4.4
132.02170	3.1
133.02959	23.3
133.03979	1.3
134.03696	1.9
135.04527	34.6
136.04845	1.7
139.06256	0.5
147.04550	3.8
160.01616	2.4
161.02452	100.0
162.02783	5.0
179.03502	21.7
180.03836	0.9
197.04572	11.3
200.91318	0.6
311.05569	1.7
359.07727	35.3
360.08093	3.1
453.11914	25.2
453.18387	0.8
454.12384	2.3
471.12900	5.2
489.14136	1.5
511.37656	0.6
651.17670	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	651.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
62.07721	0.3
71.01378	0.5
74.02474	0.4
75.57994	0.2
77.71776	0.2
80.28548	0.3
83.81648	0.3
89.02451	0.4
93.03455	0.5
96.96023	0.3
101.02477	0.3
109.02939	2.5
113.02444	0.3
117.03450	0.4
119.05025	91.0
120.05355	3.8
126.98038	0.3
135.03012	0.7
135.04555	0.6
145.02962	2.2
147.04533	0.5
159.04465	0.7
161.02437	0.4
163.04005	100.0
164.04344	5.0
179.03532	0.4
183.86568	0.3
187.03996	0.5
197.04547	0.7
203.03467	0.4
239.07117	0.3
254.05669	0.3
267.06534	1.7
269.08173	1.2
293.12402	0.7
303.39603	0.3
311.05676	0.9
313.07159	0.6
325.09290	12.3
326.09662	0.9
327.59930	0.3
355.04486	2.6
357.06134	2.5
400.59109	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	651.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
59.43818	0.2
61.98833	1.1
69.39126	1.8
69.39548	0.7
72.99310	66.5
73.99665	0.5
91.05539	0.5
93.03459	0.4
95.05013	0.5
98.19912	0.6
105.03523	0.4
107.05036	1.5
109.02956	1.7
117.01946	0.6
121.02950	0.5
122.03767	0.4
123.04530	22.3
124.04872	0.8
132.02107	0.4
133.02972	6.2
134.03764	2.3
135.04532	55.5
136.04901	1.9
137.02473	0.4
147.04504	1.7
150.03157	0.3
151.04025	3.2
153.05559	0.4
161.02451	11.3
162.02763	0.6
178.02666	0.5
179.03502	45.1
180.03812	2.3
197.04555	57.9
198.04901	2.7
229.34795	0.3
239.05589	1.6
254.91400	0.3
335.52478	0.3
341.08749	2.8
359.07681	1.3
360.07773	0.3
457.35718	0.3
471.12799	0.3
489.14008	100.0
490.14407	13.6
651.16846	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	651.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
61.98816	0.5
71.01393	0.6
71.44812	0.2
72.99315	9.8
74.14635	0.2
76.99651	0.3
89.03981	0.5
91.05544	0.5
95.05034	0.3
101.02463	0.4
105.03477	0.3
106.81484	0.2
107.05038	1.8
108.02181	0.5
109.02962	0.7
117.03490	0.7
121.02959	0.3
123.04535	4.7
132.02196	0.9
133.02965	17.6
134.03780	5.7
135.04529	74.0
136.04849	3.0
151.04001	0.3
152.01192	0.4
161.02448	100.0
162.02788	4.8
179.03500	44.1
179.15816	0.3
180.03830	1.9
197.04555	16.8
198.04874	1.1
201.80247	0.2
223.02423	0.7
311.05655	1.3
359.07730	41.5
360.08093	4.7
360.21539	0.2
392.50064	0.3
471.12787	1.5
472.13647	0.4
489.13364	0.4
651.17114	2.1
651.31885	2.8
652.32263	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	651.1206
Annotation	Luteolin 3'-methyl ether 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
55.01876	0.8
57.03459	3.4
58.00585	0.8
58.89398	0.4
59.01382	17.3
61.98838	0.7
67.01895	0.5
68.99821	1.1
69.03444	0.7
71.01385	30.0
71.62709	0.8
72.99310	25.1
73.02939	4.4
74.85976	0.4
75.00876	12.8
83.01390	4.5
84.02154	0.5
85.02954	28.7
87.00877	6.7
89.02444	5.6
95.01389	6.9
96.95996	1.2
97.02943	0.7
99.00883	11.5
101.02455	3.1
103.00383	6.8
111.00841	0.7
113.02453	37.9
114.02800	1.1
115.00377	3.7
117.01937	1.5
119.05030	1.1
129.01955	2.3
131.03488	2.4
131.07133	0.6
133.01440	1.9
133.02951	0.6
135.04536	2.3
139.00401	0.9
141.76320	0.4
145.02913	1.1
157.01436	1.9
161.02441	1.9
163.02557	0.8
163.04002	1.0
175.02489	8.9
179.03369	0.5
193.03543	23.4
194.03911	0.5
197.04533	0.8
235.04552	1.7
255.06351	0.5
263.04120	0.8
284.03281	11.2
285.03912	2.2
289.05710	3.2
298.04877	0.6
299.05600	3.4
333.04593	1.9
341.06650	1.9
348.41418	0.4
351.05673	100.0
352.06033	7.6
371.07745	0.6
488.12802	0.7
489.13327	1.6
505.13824	0.7
517.10071	0.7
651.11969	11.7
652.12244	1.7
652.35565	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	649.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69656	0.3
57.03448	0.4
59.01381	7.8
61.96846	0.3
61.98826	2.0
67.76347	0.4
71.01388	4.6
72.99297	1.8
73.02971	2.0
83.01377	1.0
85.02952	2.6
89.02441	1.1
92.47749	0.4
95.01395	0.6
96.96031	0.4
99.00862	0.7
100.19943	0.4
101.02444	3.7
109.02966	0.4
113.02456	2.1
113.99249	0.3
116.92857	0.5
117.03452	0.4
119.05024	0.5
121.02927	0.5
126.90444	0.4
133.02986	1.2
135.04532	3.5
137.02440	0.7
145.02948	2.0
149.02380	0.6
151.04169	0.5
161.02412	3.6
179.03447	1.9
267.06589	0.6
311.05579	0.9
392.85080	0.4
487.34357	6.5
488.34546	0.8
503.34283	0.5
539.07532	0.5
639.83270	0.5
649.39557	100.0
650.39868	20.1
650.50940	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	650.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01378	8.5
61.98827	4.6
62.34955	0.6
62.79914	0.6
71.01386	6.5
71.62811	0.6
71.63210	0.9
72.99319	3.2
73.02953	1.5
75.43672	0.6
83.01386	1.4
83.66804	0.5
85.02937	3.0
87.00884	0.7
89.02472	0.7
101.02423	4.2
107.05015	1.0
108.02203	0.9
109.02950	22.3
110.03292	5.0
113.02444	2.7
117.03484	2.2
119.05006	5.0
123.04543	1.4
124.01688	1.0
127.21416	0.7
131.05034	0.7
132.02155	10.7
133.02979	7.5
133.05322	2.2
134.03738	20.3
135.04526	29.8
136.03963	0.7
136.04880	1.8
136.07707	0.7
137.02422	1.8
145.02965	6.7
147.04524	6.3
148.05305	59.9
149.06093	4.8
150.03148	2.0
153.01906	1.1
159.04517	6.9
160.01656	48.9
160.04860	2.5
161.02441	25.9
161.04587	1.4
162.02992	1.0
163.04012	2.7
175.03995	65.3
176.03481	3.4
176.04605	2.2
177.04320	2.0
178.02614	2.0
178.05089	38.4
179.03493	6.2
179.05275	1.2
181.05045	1.3
190.05075	14.7
191.07147	1.0
193.05035	13.6
197.04561	2.3
202.02708	0.9
203.03488	4.7
204.03795	2.0
217.04973	0.9
227.03517	1.1
235.06081	1.4
252.07390	0.8
253.08664	2.7
254.05623	1.4
267.06595	1.1
269.08191	6.1
270.08578	5.0
277.07086	0.9
296.09067	0.9
297.10031	15.2
298.10437	1.3
307.08151	1.9
309.04166	1.0
311.05725	1.4
312.12408	95.7
313.07138	2.4
313.12717	8.2
314.07538	3.0
322.06851	0.8
323.07751	0.8
337.09271	100.0
338.09625	7.8
343.08255	1.8
357.06143	13.0
357.10245	1.0
358.06500	13.4
359.06482	1.4
359.10373	0.9
391.43716	0.6
429.06097	0.7
443.12961	0.6
458.55759	0.7
469.11359	8.4
489.13843	1.9
489.32507	1.1
505.13525	2.8
545.29834	1.6
546.29901	2.4
563.30548	1.3
564.31073	2.0
649.39374	2.8
650.22412	26.4
650.39709	7.4
651.23169	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	649.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39077	1.4
52.51848	1.7
55.01872	4.2
56.70840	1.4
57.03438	4.5
58.00581	1.9
59.01382	40.4
61.98829	4.8
71.01383	75.9
71.65746	2.2
71.66146	2.2
72.99310	4.6
73.02949	21.9
74.95241	1.5
75.00886	2.0
83.01379	14.0
85.02955	35.9
87.00875	4.1
89.02436	11.4
95.01389	7.3
96.95992	2.9
97.02956	2.8
99.00888	9.4
101.02448	53.0
109.02934	2.8
111.00874	1.7
113.02456	33.0
117.03462	4.6
119.03529	7.4
119.05044	6.7
125.02444	2.7
133.02969	4.4
135.04500	10.2
141.01883	1.6
143.03484	4.4
145.02945	11.1
147.04533	2.7
159.02989	7.6
159.04410	2.7
161.02519	8.3
161.04547	48.9
163.00334	1.8
163.03989	5.9
179.03474	3.5
179.05589	3.4
183.25941	1.4
193.85957	1.8
205.03511	1.9
487.34320	16.9
488.34995	2.1
605.40625	100.0
606.40991	18.5
649.38269	13.7
650.37927	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	649.3957
Annotation	28-Glucosyl tormentate
Peak:m/z	Relative Intensity
55.01884	0.9
56.05761	0.7
57.03441	0.8
58.00586	1.2
59.01378	16.1
59.91162	0.7
61.98836	4.1
69.27910	0.7
71.01382	22.9
71.05021	1.2
71.21674	1.8
72.99294	1.4
83.01406	1.1
85.02970	2.2
87.00868	0.9
89.02445	28.2
97.06580	0.8
101.02457	11.9
104.92808	2.4
113.02438	4.6
119.03497	5.4
131.03503	2.3
133.02975	1.3
143.03496	2.7
147.68582	0.7
149.04550	1.0
161.04539	2.1
179.05585	13.8
233.05933	0.7
236.88756	0.9
248.31003	0.8
280.81552	0.8
295.77841	0.8
407.33527	1.4
409.31097	1.7
432.14545	0.8
451.32111	13.1
452.32452	2.5
469.33209	100.0
470.33545	18.2
649.24438	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	649.3955
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
54.69656	0.3
57.03448	0.4
59.01381	7.8
61.96846	0.3
61.98826	2.0
67.76347	0.4
71.01388	4.6
72.99297	1.8
73.02971	2.0
83.01377	1.0
85.02952	2.6
89.02441	1.1
92.47749	0.4
95.01395	0.6
96.96031	0.4
99.00862	0.7
100.19943	0.4
101.02444	3.7
109.02966	0.4
113.02456	2.1
113.99249	0.3
116.92857	0.5
117.03452	0.4
119.05024	0.5
121.02927	0.5
126.90444	0.4
133.02986	1.2
135.04532	3.5
137.02440	0.7
145.02948	2.0
149.02380	0.6
151.04169	0.5
161.02412	3.6
179.03447	1.9
267.06589	0.6
311.05579	0.9
392.85080	0.4
487.34357	6.5
488.34546	0.8
503.34283	0.5
539.07532	0.5
639.83270	0.5
649.39557	100.0
650.39868	20.1
650.50940	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	649.3955
Annotation	Kolokoside A
Peak:m/z	Relative Intensity
53.76014	1.0
55.01875	5.4
55.65500	1.0
57.03439	4.6
58.00591	2.1
59.01088	2.3
59.01382	43.3
61.98837	7.1
71.01385	68.3
72.99303	3.7
73.02946	23.6
75.00861	2.6
83.01392	12.6
85.02952	39.7
86.00108	1.2
87.00900	2.8
89.02444	14.3
95.01383	5.7
96.96023	1.8
97.02966	1.8
99.00883	11.1
101.02448	58.1
109.02960	2.2
111.00874	1.7
113.02451	30.9
115.91983	1.1
116.92870	1.5
117.03448	5.0
119.03556	6.4
119.05009	7.6
122.32651	1.2
123.04472	1.2
125.02438	2.2
133.02954	4.5
135.04536	16.3
143.03510	5.8
145.02921	10.9
159.03014	8.7
159.04192	1.3
161.02557	7.4
161.04561	48.8
161.99123	1.2
162.04849	1.3
163.03996	6.9
164.04256	1.4
177.01913	1.3
179.03459	4.4
179.05615	2.5
197.04491	1.6
205.03502	2.4
331.62384	1.2
340.38318	1.1
487.34540	24.0
488.34473	3.5
527.64001	1.4
561.23541	1.8
605.40656	100.0
606.40839	19.7
649.38574	17.0
650.39026	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	649.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17706	1.0
59.01384	16.0
61.98818	3.6
67.85117	1.0
69.03448	1.2
71.01382	13.7
71.62959	1.0
72.99298	1.9
73.02933	3.8
73.35660	0.9
76.78475	0.9
79.87742	1.1
83.01365	1.0
85.02946	2.7
87.00868	2.8
89.02448	11.8
95.01401	1.0
97.02952	1.6
98.03465	1.0
101.02444	11.5
113.02455	6.2
117.03470	31.9
119.03592	5.4
119.05026	27.6
121.02952	2.9
122.03747	1.0
123.02234	1.1
125.02483	4.9
133.02942	1.4
135.04488	2.0
137.02464	1.2
139.03983	1.7
143.03482	1.3
145.02954	100.0
146.03270	4.8
147.68109	1.1
149.02417	3.2
157.43207	1.0
161.02426	3.7
161.04549	3.4
163.04018	28.4
165.74843	1.1
179.05582	2.9
200.87325	1.0
235.08255	3.9
251.20149	40.5
252.20494	3.3
253.09213	1.2
273.09302	1.0
292.00504	1.0
305.08737	2.1
339.92072	1.0
397.13480	30.9
398.13895	1.3
415.14603	10.4
416.14749	1.5
455.31854	1.7
461.07632	1.1
463.83905	1.1
485.32666	1.6
523.83551	1.2
587.37421	28.8
588.37701	5.2
605.38171	2.5
631.36041	2.9
649.26984	4.5
649.37402	62.3
650.37689	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	649.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46873	0.3
59.01375	0.4
61.98816	0.3
66.81834	0.3
69.45702	0.7
69.46109	1.4
89.66589	0.2
93.07851	0.3
98.19873	0.5
108.05901	0.3
109.34303	0.3
117.03454	0.8
121.02957	0.3
122.36545	0.3
125.17253	0.3
132.02158	1.4
133.02957	27.8
134.03777	3.0
135.04524	10.1
137.02423	2.0
139.04036	0.6
161.02443	79.4
162.02818	3.4
178.02727	1.0
179.03511	2.9
215.75420	0.3
235.88116	0.3
271.60519	0.2
280.72513	0.3
293.94003	0.3
465.17639	0.3
600.31183	0.3
605.38519	2.8
606.39209	0.5
631.36176	1.1
649.37421	100.0
650.37799	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	649.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38018	0.3
53.98260	0.4
58.00462	0.7
59.01239	13.4
59.01574	7.6
61.98707	0.7
67.09920	0.3
71.01225	13.0
71.01668	4.8
71.04867	1.7
71.05293	0.6
71.54467	0.4
72.99160	1.2
73.02813	0.9
75.00713	1.4
80.40454	0.4
83.01229	0.8
83.04887	0.5
85.02769	2.8
87.00737	0.7
87.01213	0.4
89.02264	15.9
89.02880	3.6
95.01251	0.7
96.95881	0.6
101.02240	11.5
101.02991	2.1
109.02737	0.4
113.02232	5.3
113.03111	0.8
119.03281	8.1
119.04223	1.2
122.37532	0.3
131.03282	1.2
131.04147	0.4
133.02859	0.4
135.04251	0.9
143.03270	1.5
149.04326	0.8
155.10565	0.7
161.02168	1.5
161.04291	1.9
161.09534	0.5
179.03217	0.5
179.05325	6.0
233.15157	0.4
290.10211	0.4
307.20370	0.4
317.91440	0.4
391.26276	1.0
395.25711	1.6
396.26096	0.5
407.29584	3.1
411.29013	2.6
412.29187	0.8
421.31046	0.8
423.28824	0.9
425.30280	1.5
439.28525	2.5
440.28778	0.6
441.29892	1.0
469.29578	26.7
470.29962	4.6
487.30472	100.0
488.30826	14.3
527.16681	1.5
605.24707	0.5
649.24139	1.7
649.39569	18.9
650.22791	0.6
650.39758	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	649.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24444	0.7
55.01870	1.2
57.03432	0.9
58.00584	2.7
58.45202	0.7
59.01381	33.4
61.98844	3.8
69.03442	2.1
71.01384	31.4
71.65965	1.4
72.99292	2.6
73.02646	0.7
73.02951	6.9
75.00864	0.8
81.03468	0.9
83.01405	3.9
85.02943	6.8
87.00874	7.8
87.55891	0.7
89.02443	27.8
95.01389	2.2
97.02950	5.5
99.00866	1.7
101.02441	35.3
111.04528	0.8
113.02455	15.5
117.03462	4.2
119.03525	8.3
119.05009	9.8
120.05412	0.8
121.02986	1.1
125.02449	11.5
131.03503	2.8
133.05075	1.5
135.04483	0.8
143.03517	5.0
145.02956	14.5
160.84222	1.7
161.02470	1.0
161.04546	9.3
162.83919	2.9
163.04019	14.1
164.04372	0.8
167.03448	0.9
179.03482	0.7
179.05603	5.8
181.97778	0.8
187.80072	0.7
193.05391	0.9
217.07208	0.8
221.06631	2.1
233.19115	1.5
235.08237	11.6
251.20155	97.2
252.20465	6.7
253.09412	4.2
263.07837	1.1
287.07709	3.3
305.08752	2.5
323.09799	1.7
347.19095	0.8
379.12421	1.0
397.13495	73.1
398.13840	6.2
406.54980	0.8
415.14548	33.4
416.15027	2.0
487.34280	100.0
488.34573	15.1
501.44882	0.9
587.37244	7.1
588.37994	1.2
614.20648	0.9
649.19464	0.9
649.38580	4.3
650.17914	1.0
674.43817	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	649.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03444	0.4
59.01378	10.5
60.15957	0.4
61.98819	1.3
71.01382	7.1
72.99287	0.9
73.02941	2.5
83.01382	1.4
85.02963	3.6
87.00849	0.6
89.02451	1.4
95.01402	0.4
96.95972	0.5
99.00887	1.3
101.02433	6.3
113.02441	2.8
117.03470	36.0
118.03840	0.7
119.05029	11.3
120.05392	0.4
121.02937	0.8
124.79443	0.4
125.02501	0.5
133.02950	0.7
134.03680	0.4
135.04552	1.3
142.40581	0.4
143.03510	0.7
143.04944	0.4
145.02951	100.0
146.03291	3.7
159.03001	0.6
161.02432	1.4
161.04556	2.5
161.05817	0.4
163.04008	14.7
163.05383	0.7
164.04326	0.8
179.03502	0.7
187.04053	1.6
284.17087	0.5
300.53427	0.4
307.08279	0.5
431.76535	0.5
487.34271	18.5
488.34637	1.6
501.21429	1.7
519.22296	1.4
561.23358	29.4
561.52997	0.5
562.23895	4.7
597.07745	0.5
605.40582	13.5
606.40814	1.3
649.23480	0.6
649.39862	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	649.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16477	0.6
56.78861	0.6
59.01384	15.0
59.02570	0.7
61.98837	2.6
68.27301	0.6
68.99817	1.2
69.44703	5.0
71.01388	3.1
72.99325	1.0
73.02950	1.1
85.02953	1.1
89.02447	0.9
93.03473	2.0
101.02440	1.8
109.02924	0.8
113.02425	0.9
117.03472	29.4
118.03777	1.1
119.05031	46.5
120.05364	1.7
121.02958	1.4
123.04562	0.7
124.46950	0.8
125.02531	1.0
133.02939	1.3
133.06598	0.8
135.04482	3.4
143.05023	4.5
145.02956	100.0
146.03304	5.3
161.02437	3.4
161.04659	0.8
161.06107	1.4
162.03172	1.2
163.04013	62.5
164.04330	2.8
177.01961	1.3
179.03612	0.7
179.10851	0.7
180.49602	0.8
187.04002	9.2
188.04422	0.9
205.05186	0.8
347.39368	0.7
405.09256	0.8
487.34351	2.0
501.21277	5.1
502.21646	1.3
517.31750	1.1
519.22351	8.8
520.23029	1.2
561.23407	25.4
562.23889	5.4
649.37799	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	649.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46543	1.3
59.01379	15.8
62.25477	1.5
71.01375	4.3
74.73598	1.2
89.02439	2.7
98.20626	5.4
99.75600	1.5
101.02454	3.5
105.03508	2.3
109.02945	1.8
117.03472	33.4
119.05038	15.5
133.02953	6.5
134.03691	1.4
135.04555	10.2
145.02959	100.0
146.03305	4.5
148.88313	1.5
161.02464	15.1
163.04007	24.7
177.01950	10.2
179.03438	7.2
197.04510	1.6
270.58423	1.9
299.35242	1.5
311.05493	1.4
313.07059	3.0
437.95581	1.4
459.88251	1.6
464.35962	1.4
485.33002	3.5
486.33142	13.4
487.34174	13.6
501.21661	2.3
519.22192	2.7
561.23401	30.8
562.23853	4.6
649.39728	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	649.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48863	0.6
55.01883	0.8
57.03455	1.2
59.01381	21.9
61.98825	4.8
67.28194	0.7
71.01385	8.7
71.62719	0.8
71.63094	1.2
72.99301	2.1
73.02946	4.5
83.01383	2.5
84.72227	0.7
85.02952	4.9
87.00896	0.8
89.02470	2.0
95.01398	1.3
96.96018	0.9
99.00891	0.9
101.02434	6.9
109.03124	0.7
113.02449	3.2
116.92808	1.1
117.03466	36.4
118.03812	0.9
119.05019	21.4
120.05394	1.1
121.02946	1.0
133.02945	2.4
134.03729	1.1
135.04523	4.6
137.02477	0.8
145.02956	100.0
146.03264	3.9
149.02492	1.7
159.02960	0.9
161.02466	5.8
161.04564	1.8
163.00388	1.0
163.04012	32.6
163.05394	1.6
164.04344	1.3
179.03529	2.2
187.03940	1.1
196.09215	0.9
227.07097	0.8
258.61057	0.8
311.05536	1.0
416.97842	0.8
487.34497	8.4
501.21353	2.5
519.22217	1.6
561.23352	24.5
562.24030	3.3
605.38928	0.9
631.38379	1.3
649.39575	47.6
650.39752	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	649.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69542	0.5
59.01379	13.6
61.98827	1.1
68.99818	1.5
69.34167	5.3
71.01383	2.1
72.99317	1.0
73.02948	0.9
85.02955	0.9
89.02454	1.3
93.03465	1.5
96.96030	1.0
101.02433	1.9
108.02165	0.8
109.02971	1.4
113.02477	1.3
116.92879	0.5
116.97279	0.6
117.03464	33.2
119.05027	43.3
120.05369	1.3
121.02974	2.1
123.04547	0.6
133.02939	2.3
134.03847	0.5
135.04501	5.7
137.02463	1.0
141.01979	0.6
143.05025	4.5
145.02956	100.0
146.03310	4.3
147.04529	0.6
149.02466	1.6
160.01747	0.6
161.02460	4.8
161.04485	0.9
162.03156	1.1
163.04012	53.2
164.04320	2.7
177.01909	0.6
179.03485	3.9
187.03999	9.1
191.34885	0.7
197.04607	0.9
220.41216	0.5
265.04929	0.8
299.16644	0.6
307.47940	0.7
311.05817	0.8
326.38422	0.5
401.70364	0.5
440.61481	0.7
459.20358	0.6
468.98645	0.6
469.33139	0.5
487.34415	6.8
501.21277	6.6
519.22223	6.2
520.22650	0.9
561.23364	30.1
562.23596	5.1
648.39368	0.6
649.27722	0.8
649.38483	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	649.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.0
60.68298	0.9
71.01368	3.2
72.99278	1.3
73.02953	1.6
77.15565	0.8
85.02957	2.0
101.02436	2.9
102.10049	0.9
113.02435	1.7
117.03471	32.7
118.03796	1.3
119.05025	15.1
120.05364	1.1
133.02948	3.8
135.04552	6.3
145.02957	100.0
146.03259	4.0
149.02533	1.4
161.02434	6.3
161.04591	1.0
163.04016	21.9
165.68785	0.8
177.01894	2.3
179.03510	1.7
277.40988	0.8
313.06720	0.9
378.30014	1.1
485.32452	3.4
486.33020	6.5
487.33853	8.0
488.34991	1.8
501.21555	2.9
519.22327	1.5
520.32214	0.9
561.23419	28.4
561.32202	1.4
562.24023	4.6
605.40112	1.6
644.57758	1.0
649.39972	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	649.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11105	0.6
52.62626	0.7
59.01379	13.2
60.16003	1.0
68.99809	1.0
69.35505	5.5
71.01377	2.2
72.55713	0.7
72.99306	1.1
73.02953	1.2
85.02942	0.7
89.02465	1.0
93.03487	1.2
96.96010	1.4
97.02836	0.6
99.83682	0.6
101.02436	1.6
109.03010	0.8
109.20644	0.6
117.03468	32.6
119.05029	45.0
120.05373	2.0
121.02945	3.0
123.04546	1.7
133.02928	1.4
135.04536	4.5
137.02409	0.7
143.05043	5.0
145.02957	100.0
146.03297	3.7
147.04425	0.7
161.02458	3.7
161.04675	0.7
162.03221	2.1
163.04012	62.3
164.04347	2.9
179.03496	1.9
187.03992	9.4
333.91498	0.6
386.31635	0.8
487.34344	2.3
501.21411	7.5
502.21045	0.8
519.22516	5.9
520.22443	0.9
561.23431	33.4
562.23566	5.8
649.39465	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	649.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.1
61.98813	1.3
71.01386	3.2
71.64600	1.1
73.02964	0.7
78.95918	0.8
85.02950	1.4
89.02420	0.9
96.96027	0.7
99.00871	0.7
101.02414	1.2
109.02947	1.3
113.02439	1.7
117.03463	4.6
119.05029	41.6
120.05331	1.4
121.02958	1.4
131.07147	1.4
132.02214	0.7
132.05763	1.2
133.02957	27.7
133.06606	3.6
134.03699	0.9
135.04530	23.6
135.46947	0.7
136.04863	1.1
137.02423	1.1
145.02957	13.8
147.04568	1.0
149.06068	2.3
159.04524	1.0
161.02444	80.7
161.06032	7.1
162.02754	4.0
163.04016	27.2
164.04330	1.6
175.04013	2.0
177.05562	5.8
179.03502	21.2
187.03989	2.6
203.03426	2.3
205.05070	3.0
217.04942	0.8
220.03708	1.0
221.04578	6.1
263.05646	1.4
280.05753	1.1
323.07709	44.7
324.07925	4.0
339.04752	0.7
469.11407	2.4
487.12457	100.0
488.12772	13.1
529.13422	6.9
530.14069	1.2
649.17395	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	649.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81867	0.7
59.01382	12.5
61.98822	6.1
71.01378	2.2
71.65914	0.8
72.99317	1.2
75.00856	0.8
79.00294	0.7
86.73303	0.8
89.02442	1.6
96.96000	7.7
101.02440	1.5
105.03452	1.1
109.02959	0.9
113.02400	1.3
117.03480	1.3
122.03739	0.7
126.90472	1.9
132.02185	2.8
133.02960	42.6
134.03227	0.8
134.03764	1.1
135.04539	13.0
137.02490	1.1
145.03015	1.0
150.86630	0.7
159.04517	1.1
161.02443	100.0
162.02798	5.5
165.86678	0.8
179.03471	10.0
201.29991	0.8
423.09113	1.8
487.29947	1.2
501.21643	1.2
519.22351	5.2
561.23364	43.3
562.23669	7.7
592.46478	0.9
630.95367	0.8
649.23694	1.2
649.37836	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	649.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.71337	0.8
56.05878	0.6
57.03424	0.7
59.01381	9.6
60.58120	0.7
61.98832	10.5
62.17522	0.8
69.03403	0.7
71.01380	7.2
71.85740	0.9
72.99310	1.1
73.02930	2.0
81.03437	0.9
83.01409	1.2
85.02004	1.0
85.02952	2.8
87.00880	0.9
89.02467	1.4
99.00897	1.2
101.02431	5.1
108.02181	3.8
109.02954	86.2
110.03304	2.8
113.02438	2.5
116.90708	0.7
117.03484	1.5
119.03529	0.9
119.05009	5.0
123.04519	2.9
129.03427	0.9
131.05005	2.1
132.02179	2.6
133.02983	7.9
133.05365	1.0
134.03749	5.0
135.04512	17.7
137.02469	1.6
145.02943	7.2
146.03746	2.2
147.04521	10.0
148.05309	11.8
149.02466	0.8
149.06049	2.3
151.03987	1.6
158.03690	1.5
159.03189	1.2
159.04510	31.2
160.01668	10.3
160.04825	1.3
161.02441	15.0
161.04575	1.9
163.03983	3.9
174.03171	1.2
175.03995	21.4
177.01907	1.2
178.05067	7.6
179.03459	6.8
190.05070	2.2
193.05035	3.0
197.04469	1.2
198.06752	0.9
203.03494	25.2
204.03838	1.4
217.05026	0.9
223.07646	1.4
227.06979	1.0
237.05582	1.5
239.07245	1.8
245.11887	0.7
247.02415	2.4
249.05475	1.1
250.06105	0.9
251.07175	2.7
252.07819	1.1
253.05139	1.5
253.08881	0.9
254.05847	4.4
255.06589	5.8
267.06631	3.8
269.08173	40.0
270.08588	3.8
291.47168	0.8
295.06107	2.8
297.10046	3.0
312.12402	20.2
313.07166	19.4
313.35571	0.9
314.07520	2.0
337.09283	19.2
357.06152	100.0
358.06454	9.6
401.21085	0.8
443.22855	2.2
471.12766	1.6
486.33002	1.0
543.33148	2.0
545.29944	1.0
605.16583	1.0
605.40485	3.0
649.15350	1.9
649.39417	6.4
650.22400	6.5
650.40625	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	647.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78575	0.4
54.80252	0.4
59.01382	100.0
60.01708	1.1
61.98841	2.1
68.20992	0.4
71.01385	2.7
71.63049	0.5
72.99316	1.1
73.02956	0.8
85.02972	1.1
88.33625	0.4
89.02432	0.5
90.42065	0.4
97.42648	0.4
98.57668	0.4
101.02449	1.5
113.02475	1.2
117.92947	0.5
119.04949	0.4
133.02965	1.2
135.04562	0.9
145.02992	0.6
160.84244	2.6
161.02472	1.7
161.04596	0.6
163.04095	0.5
173.05975	0.5
175.07637	0.5
179.03496	0.6
187.07660	0.7
199.70015	0.5
201.08926	0.4
214.06532	0.5
214.67230	0.4
215.07150	0.7
218.09518	0.5
225.09480	0.4
229.08717	1.7
230.09312	0.7
231.10258	0.7
257.08182	2.3
274.08319	0.7
275.09149	0.6
355.77023	0.4
371.14960	0.6
389.16321	0.6
485.32712	0.8
562.51031	0.4
605.40601	3.6
606.41437	0.5
647.41479	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	647.3953
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
59.50143	0.3
70.66319	0.6
77.03945	0.6
93.21811	0.3
94.85677	0.2
95.05029	0.9
105.03456	3.2
119.05035	0.9
123.04532	0.5
125.77757	0.3
132.02176	8.6
133.02966	23.5
134.03780	3.2
136.01672	0.8
147.04518	0.8
149.06096	2.0
153.05542	0.5
160.01660	44.1
161.02065	1.8
175.04004	45.1
176.04358	2.1
177.01921	4.4
192.04268	0.3
193.05066	1.1
453.33633	1.5
497.32736	1.0
531.31213	0.4
632.36963	5.0
633.37335	0.9
647.39532	100.0
648.39868	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	647.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79276	0.3
59.01374	0.5
61.98832	0.6
73.66678	0.3
95.05044	0.8
98.19820	0.6
101.42983	0.4
105.03470	3.2
117.78078	0.3
119.05026	0.4
132.02185	6.6
133.02960	21.1
134.03793	3.8
136.01659	0.4
147.04512	0.5
149.06113	2.3
160.01660	37.5
161.02020	1.9
175.04004	41.7
176.04288	1.9
177.01926	4.6
192.04239	0.4
193.05113	1.9
255.85945	0.4
386.79633	0.4
453.33731	1.9
497.33133	1.3
573.36005	0.6
632.37091	5.8
633.37598	1.3
647.39520	100.0
648.39862	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	647.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45554	0.7
54.55233	0.7
59.01378	0.7
59.63936	0.9
61.98836	0.8
67.72794	0.7
78.95891	1.7
99.92594	2.1
104.39479	0.8
105.03436	3.6
116.92860	2.5
119.04982	1.4
132.02148	6.3
133.02954	21.6
134.03714	2.4
147.04530	1.5
149.06023	1.3
160.01656	40.7
161.02083	1.3
175.03993	44.0
176.04298	2.1
177.01903	5.1
193.05013	2.2
196.89505	1.0
200.85876	1.6
260.89297	0.8
346.78821	0.8
497.32111	0.9
632.36761	5.7
647.39520	100.0
648.39764	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	647.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84858	0.3
55.01866	0.6
57.20321	0.3
59.01381	100.0
60.01716	0.7
61.98827	3.4
71.01384	4.9
71.21337	0.6
72.99312	1.2
73.02956	1.5
83.01397	0.8
85.02961	2.9
87.00916	1.0
89.02462	0.6
94.39694	0.3
95.01415	0.3
97.86485	0.3
99.00876	0.7
101.02444	3.1
102.02807	0.3
113.02460	1.6
116.69968	0.3
121.03006	0.4
129.01987	0.3
131.03520	0.4
132.02209	0.5
133.02957	1.3
134.03741	1.3
135.04509	0.5
137.02411	0.4
140.15874	0.3
145.02977	0.3
158.03722	0.4
159.04465	0.5
160.01712	0.7
161.02449	2.3
161.04649	1.1
162.03265	0.4
172.05354	0.8
173.06085	0.5
174.06924	0.6
175.04068	0.3
175.07631	0.5
178.02721	0.8
179.03560	0.8
186.06935	0.5
187.07669	1.2
200.04845	0.5
201.05606	1.0
201.09311	0.8
203.07118	0.4
210.71379	0.3
215.07103	0.8
229.08684	1.9
230.09485	1.0
231.10251	0.5
257.08264	0.9
274.08597	0.8
275.09311	1.1
287.18661	0.3
371.14786	0.3
389.16061	0.5
487.34561	1.4
552.83368	0.3
587.39667	3.6
588.40326	0.9
605.40594	9.5
606.41010	1.4
647.35657	1.4
647.42743	0.9
648.19775	0.4
648.30957	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	647.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03437	1.0
57.38337	0.6
58.00581	2.9
58.17427	0.6
59.01380	51.2
61.98817	2.6
69.03451	2.9
71.01386	43.8
71.62897	0.7
72.99314	5.2
73.02953	7.6
75.00845	0.8
81.03449	2.2
83.01397	5.9
85.02951	9.8
87.00874	9.8
89.02448	37.0
93.03434	0.8
95.01399	2.7
97.02958	7.3
99.00875	1.7
99.04523	0.8
100.22966	0.7
101.02447	36.9
107.39616	0.6
109.02969	1.2
111.00897	1.0
111.04519	1.2
113.02446	17.9
115.04046	0.8
119.03507	11.6
121.02987	0.6
123.04520	0.9
125.01599	1.2
125.02448	13.6
131.03514	2.2
133.02921	1.0
133.05014	1.2
135.04524	1.8
139.04097	1.2
143.03497	7.7
144.25301	0.7
145.02979	4.2
149.04553	1.1
159.03152	0.6
161.02440	2.4
161.04539	10.3
163.04056	0.6
167.03493	1.2
179.05640	6.5
185.04559	0.9
217.07248	1.7
221.06648	2.6
231.17612	1.2
235.08240	13.9
245.06418	0.7
249.18602	100.0
250.18947	7.4
253.09357	5.9
263.07727	1.8
277.09375	1.3
287.04938	0.7
287.07581	3.2
305.08725	3.4
323.09845	1.8
389.16193	0.8
397.13498	85.3
398.13806	5.9
402.86725	0.8
415.14566	35.6
416.14972	3.9
485.32806	3.1
490.33875	0.8
527.34100	0.6
585.54163	0.7
598.51965	0.7
647.36096	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	647.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
56.62384	0.3
57.03442	1.0
58.00597	2.3
59.01383	50.0
68.99826	0.8
69.03453	2.6
70.54433	1.4
71.01384	40.9
71.81317	0.3
72.01714	0.7
72.99308	8.4
73.02951	7.7
75.00892	1.2
81.03445	2.0
83.01393	5.4
83.05033	1.3
85.02956	9.3
85.85174	0.3
87.00877	11.3
87.07805	0.4
89.02448	39.8
90.02808	0.5
91.04008	0.7
93.03411	0.3
95.01397	3.1
97.02948	6.9
97.03548	0.5
97.06627	0.4
99.00886	2.4
99.04522	0.9
99.53584	0.3
101.02445	38.0
102.02798	1.0
109.02920	0.9
111.00854	0.6
111.04516	1.0
113.02451	18.3
114.02827	0.4
115.04029	0.8
117.16052	0.3
119.03505	12.0
121.02985	0.9
123.00911	0.6
123.04560	0.6
124.01660	0.8
125.02448	14.6
126.02812	0.5
127.04021	0.4
131.03511	2.2
133.05054	1.7
135.04553	0.9
137.02455	0.4
139.03999	1.0
141.01964	0.6
143.03510	8.3
149.04533	1.2
151.04089	0.4
159.04472	0.5
161.02432	1.4
161.04556	10.0
161.05843	0.6
167.03549	0.9
169.05096	0.6
171.02965	0.4
172.05324	1.7
173.06013	0.8
174.06859	0.9
175.07677	1.1
177.16495	0.4
179.03441	0.6
179.05614	8.1
183.04420	0.4
185.04555	0.9
187.07640	9.7
188.07938	0.6
199.03986	1.0
199.06107	0.6
200.04778	0.6
201.05573	1.2
201.09245	0.6
202.06389	0.6
203.05525	0.5
203.07191	1.0
205.19719	1.1
213.09215	1.5
215.07092	3.3
217.07162	1.0
218.09361	1.7
219.05179	0.6
221.06653	2.4
227.03479	1.4
227.05586	0.5
228.04294	1.1
229.08597	1.7
230.09464	1.2
231.06705	0.7
231.10216	1.2
231.17461	0.5
235.08223	17.0
236.08522	0.6
245.06697	0.9
247.09729	0.8
247.17087	0.5
249.18591	100.0
250.18933	7.9
253.09279	6.1
257.08191	6.5
258.08594	0.5
263.07617	1.4
274.08511	0.5
275.09256	1.5
277.09314	1.0
287.07709	3.6
292.09424	0.8
305.08743	4.0
306.09158	0.5
323.09808	1.7
327.16019	0.5
361.11374	0.9
379.12326	1.1
389.16025	3.6
389.46350	0.4
390.16531	0.6
397.13495	89.7
398.13837	6.3
415.14566	38.3
415.20331	0.7
416.14777	3.1
485.13541	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	645.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42583	1.1
58.00573	1.2
59.01381	49.9
68.83165	1.1
69.03460	1.4
71.01385	19.6
71.65710	1.4
72.99314	2.6
73.02948	20.1
73.95767	1.0
75.00875	24.3
83.01378	4.9
85.02953	2.6
85.06593	1.3
85.17530	1.1
87.00869	8.0
89.02448	9.1
96.96022	2.1
101.02447	19.2
113.02455	7.7
117.01946	9.5
119.03500	3.8
119.04213	2.2
119.05025	43.8
119.05885	2.2
120.05366	3.0
131.03488	2.2
131.07114	5.6
131.19037	1.4
135.02997	89.7
136.03302	1.7
143.03470	1.7
145.02908	2.7
149.04546	3.7
152.61638	1.1
161.04541	6.5
163.04008	100.0
164.04344	3.8
179.03366	1.4
189.20871	1.1
200.99565	2.5
221.06679	3.2
244.55055	1.1
281.06668	20.1
282.06891	1.5
293.12405	15.2
319.02264	3.0
393.21960	1.2
421.17569	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	643.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82471	0.8
59.01386	4.8
61.98828	2.6
69.60666	5.4
71.01387	1.7
72.99299	3.3
73.23267	0.8
78.95919	1.5
80.05094	1.0
85.02980	0.9
93.03461	3.0
94.06627	3.8
95.01404	0.9
96.96014	6.0
98.19844	1.1
101.02478	1.1
106.06648	1.5
107.03781	11.5
109.02961	6.2
113.02449	1.4
119.05045	0.9
120.08160	4.6
121.02982	1.5
122.06125	52.0
123.04540	1.7
123.06459	1.1
124.07652	2.5
125.02453	2.6
132.04579	1.2
133.02940	1.4
134.06117	6.7
135.04538	3.9
136.07654	1.3
137.02437	3.2
139.02774	5.2
145.02960	1.2
150.05522	1.6
152.07172	72.5
153.07541	1.5
160.04086	1.1
161.02467	7.7
162.02814	1.0
163.03957	1.3
169.01416	5.3
179.03502	2.2
190.05212	1.2
201.11394	1.1
206.63087	0.9
211.12408	1.6
221.10063	0.9
223.08806	2.3
223.12543	1.1
224.09494	1.0
235.12476	1.6
236.09413	1.2
237.10312	3.8
239.11909	1.5
243.15100	0.9
249.10318	5.0
251.11887	5.2
253.13466	1.4
261.10358	1.5
262.07462	1.2
262.10782	0.9
263.08249	8.4
263.11502	1.6
264.09021	8.6
265.09903	2.1
267.06671	7.0
268.03976	1.7
268.06976	3.7
269.07147	1.8
275.08365	1.4
276.09009	6.3
277.09766	5.8
278.10608	20.3
279.11377	32.5
280.12012	2.4
283.06158	3.0
289.09863	1.0
290.10681	0.9
291.11386	20.3
292.11975	3.0
295.10941	1.1
311.05573	1.2
311.14026	1.4
323.10150	1.9
325.11911	2.1
331.06754	4.4
351.05542	1.4
355.13266	1.4
360.17050	1.1
372.16962	1.7
374.18781	1.7
387.15967	3.0
400.16534	2.6
402.18225	22.2
403.18381	1.9
414.18326	6.9
415.19089	1.2
416.19943	2.4
417.19879	1.2
444.19308	2.4
446.17319	2.1
481.12439	1.1
488.18088	2.3
511.11493	1.2
520.20941	3.1
521.20264	0.9
539.26233	1.8
567.26111	30.5
568.26514	4.5
576.66754	0.9
599.28705	10.2
600.28973	1.6
611.25085	100.0
612.25397	18.0
643.27728	55.7
644.28198	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	643.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.5
61.98820	3.5
66.76785	1.0
71.01376	4.2
71.56438	1.1
71.65022	1.1
71.65381	1.0
72.99316	1.9
73.02942	2.9
80.05036	2.1
80.96506	2.0
85.02942	1.7
89.02432	1.5
94.06606	4.0
101.02436	3.3
106.06615	2.2
107.03750	9.4
107.04998	1.4
108.04497	1.2
109.02969	1.7
120.04577	1.4
120.08188	11.0
120.33466	1.2
122.06126	91.5
123.04512	2.5
123.06434	2.6
123.44855	1.3
124.07677	2.0
126.90488	3.6
132.04553	2.5
133.02930	4.1
134.06100	8.2
135.04530	7.6
137.02423	3.6
139.02779	2.5
145.02989	1.1
149.02426	2.6
150.03221	2.0
150.05621	2.2
151.03955	2.1
152.07175	100.0
153.07498	3.8
161.02451	15.1
161.04594	1.5
166.05077	1.4
173.04828	1.2
179.03441	4.0
186.05649	1.4
190.05067	1.4
197.11740	1.9
209.11859	2.6
210.07884	1.2
211.08672	1.5
211.12315	1.4
223.08745	14.2
224.09404	5.2
225.10251	3.7
227.08360	1.6
233.15279	2.0
235.12334	2.1
236.09557	2.5
237.10352	16.2
238.11060	9.3
239.11884	18.0
241.13530	2.1
245.12807	3.2
249.06511	1.4
249.10197	2.7
251.08246	2.7
251.11874	10.6
253.09518	1.6
257.12976	1.5
263.08127	4.0
263.11807	1.4
264.08990	7.3
265.09763	9.4
267.11292	1.8
271.10907	6.1
276.08896	1.5
277.09698	3.3
278.10547	3.7
279.11380	32.1
280.11780	3.3
281.12906	2.9
283.06226	1.7
283.10867	3.4
291.11441	7.3
292.12381	1.3
295.10852	2.0
301.12006	2.2
311.05585	3.8
313.11890	2.0
323.10400	5.9
325.11874	4.8
331.08029	2.0
343.29501	1.4
355.13004	3.0
359.16074	2.0
360.17072	3.8
388.16370	1.3
389.17331	1.9
390.18686	1.4
400.20398	1.4
402.18185	25.7
403.18576	4.6
404.19696	3.8
416.19958	2.7
444.19336	13.6
445.19684	3.7
446.16907	2.2
447.17810	1.6
448.18832	23.0
449.19067	3.8
476.22104	1.5
481.13010	1.7
488.18097	17.2
489.18954	7.8
490.19525	1.5
507.19910	2.3
508.20648	1.4
520.20929	37.8
521.21100	8.9
523.27106	3.7
525.25055	7.4
526.25476	2.2
567.26276	18.1
568.26355	2.8
570.24561	3.8
611.25140	45.7
612.25470	10.0
643.27747	67.9
644.27643	13.1
644.37207	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	643.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76914	0.8
56.44610	0.8
59.01382	8.1
60.60319	0.9
61.98825	2.1
69.28178	9.3
71.01377	2.0
72.99316	2.1
73.02937	1.5
75.11168	0.8
75.70350	0.9
80.05045	1.8
80.62432	0.8
80.96529	1.1
89.02475	1.0
89.63931	0.8
94.06638	4.4
96.96016	1.2
97.89127	0.9
99.00883	0.8
101.02428	2.0
104.05038	1.2
106.06616	2.7
107.03781	9.8
109.02943	1.6
110.54438	0.9
113.02392	1.7
119.05035	1.2
120.04588	1.2
120.08204	13.1
121.05347	1.1
122.06126	78.8
123.04516	1.6
123.06451	1.8
124.07632	0.9
126.90569	1.7
132.04532	3.3
133.02948	3.6
134.06134	8.6
135.04544	6.1
136.07689	1.4
137.02505	2.1
139.02762	3.5
145.02969	1.3
148.03943	1.1
149.02440	2.4
150.03218	1.7
150.05595	1.0
152.07179	100.0
153.07495	1.9
158.02553	1.1
160.04007	1.7
161.02434	9.2
161.04655	1.3
162.05574	0.9
164.03453	0.9
164.07185	1.1
169.59047	0.9
174.05577	2.5
175.03983	1.0
176.33138	0.9
179.03529	4.4
190.05057	3.4
197.11870	2.1
209.11781	2.5
211.08891	1.0
211.12376	2.4
213.15060	1.3
221.10753	1.2
223.08771	12.7
223.12312	1.1
223.94243	0.9
224.09488	4.0
225.06519	0.9
225.10309	2.0
227.08157	1.9
235.12415	2.9
236.09544	2.0
237.10316	14.1
238.11110	7.1
239.11903	14.8
240.12012	1.4
241.13474	1.3
245.12898	2.4
248.09528	1.0
249.06682	1.2
249.10402	2.0
250.07364	1.8
251.08150	3.0
251.11850	8.2
252.12300	1.5
257.12924	1.3
263.08218	3.9
263.11880	1.4
264.09009	9.3
265.09689	6.9
267.06552	1.5
267.11264	2.1
271.10883	7.3
276.08908	1.4
277.09662	2.5
278.10568	2.8
279.11377	32.6
280.11874	4.5
281.12967	1.5
283.06354	1.2
283.10928	3.0
285.12570	1.3
291.11395	7.4
292.11993	2.7
295.10886	3.5
301.12018	1.7
305.09338	0.9
309.12137	1.2
311.05661	2.4
311.14050	1.3
313.12088	2.4
323.10413	6.4
324.10977	2.5
325.11911	3.9
325.15305	0.9
331.08072	1.0
339.09839	1.2
341.11880	1.1
343.13266	1.1
355.12958	3.7
358.19391	1.0
360.17245	2.9
372.17191	1.2
376.20288	1.0
387.15945	1.3
388.16620	2.3
389.17050	1.4
400.20349	1.8
402.18198	24.4
403.18533	4.7
404.19806	4.9
416.20178	2.1
420.19434	0.9
430.17514	1.3
444.19305	17.1
445.19650	3.6
446.17007	2.0
447.17740	1.2
448.18777	20.1
449.18964	2.7
460.18939	1.6
461.19632	2.0
488.18341	20.1
489.18942	11.9
490.19257	1.5
499.27408	1.1
500.28177	1.3
508.20660	1.9
520.20905	34.0
521.21216	6.6
523.27014	2.2
525.25018	8.2
526.25433	1.7
558.37573	1.0
567.26105	23.9
567.34821	1.4
568.26385	4.6
570.24835	3.0
611.25073	50.2
612.25464	10.6
643.27765	54.6
644.27917	10.1
644.36859	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	643.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20659	0.4
59.01381	4.9
61.98837	3.3
70.85580	0.5
70.96943	0.7
70.97263	0.8
71.01377	2.3
72.99313	1.6
73.02946	0.6
75.00851	0.6
79.34906	0.5
82.88056	0.5
85.02951	1.3
89.02422	0.6
93.03457	4.4
95.05018	1.0
96.96023	1.3
101.02467	1.4
105.03456	0.9
107.05048	1.8
108.02179	1.8
109.02959	8.2
114.53092	0.5
116.92852	1.2
117.03479	1.0
117.59311	0.6
119.05060	1.2
121.02950	1.2
123.04534	1.6
132.02148	0.6
133.02956	17.2
133.03979	0.9
134.03799	5.5
135.04524	100.0
136.04848	4.1
137.02449	7.8
145.02939	5.5
147.04550	0.9
149.02448	2.1
151.03989	3.1
152.01164	1.4
152.07211	0.6
153.01953	0.7
159.04518	0.8
161.02448	15.9
162.02850	0.7
163.04048	2.1
165.05663	0.9
168.90077	0.5
172.77954	0.5
173.02443	3.4
174.03229	5.8
175.03984	1.2
177.01941	12.6
178.02364	1.2
179.03494	69.2
180.03830	3.2
203.03511	1.3
209.06068	4.4
219.04535	1.2
221.06128	1.6
227.03436	0.5
227.07260	0.8
236.87726	0.6
237.05556	24.5
238.06104	2.1
238.60632	0.5
240.04269	1.3
241.04997	1.0
248.04861	1.7
249.05560	0.6
253.05019	2.0
254.05785	3.2
255.06554	5.0
264.04294	1.2
265.05045	28.3
266.05707	7.0
267.06610	8.4
268.07224	0.9
269.04651	2.3
279.06696	1.9
281.04593	0.7
282.05322	1.0
283.06116	19.7
284.06406	1.1
291.06641	10.2
292.07098	1.5
293.04639	0.6
295.11172	0.7
310.68906	0.6
335.05524	1.0
337.86169	0.5
353.06793	1.8
401.10315	11.0
402.10638	1.1
445.09253	9.4
446.09644	1.2
463.10248	3.7
481.11484	3.9
523.21179	0.7
549.21692	0.7
567.21381	0.6
599.26874	0.7
625.13458	3.8
626.14545	1.1
643.14771	19.5
643.25562	4.1
644.14777	2.9
644.25085	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	643.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31328	0.7
59.01379	100.0
60.01711	1.2
61.98820	1.1
65.35242	0.6
71.01377	7.3
71.64883	0.9
72.99311	0.9
73.02946	3.5
83.01408	2.3
85.02943	5.3
89.02436	1.0
96.96017	1.4
97.02925	0.8
98.53918	0.8
99.00906	1.7
101.02444	10.3
109.02918	0.7
113.02444	4.5
121.26994	0.7
125.02496	0.7
135.04564	2.3
143.03447	0.7
159.02960	1.1
159.66068	0.8
161.02455	2.9
161.04501	3.7
179.03517	2.2
194.93886	0.7
235.11853	19.4
236.12209	1.6
250.71098	0.7
277.12915	7.0
285.39148	0.7
396.13083	0.7
451.21912	0.8
608.49951	0.8
643.16888	1.0
667.02863	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	641.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
59.46097	0.3
62.20456	0.2
63.73676	0.3
69.70873	0.7
69.71301	1.2
71.32396	0.3
72.99306	0.4
83.32384	0.3
87.64259	0.3
93.26329	0.3
105.03482	0.4
109.02962	1.6
109.69288	0.3
117.49947	0.4
122.06135	1.0
123.04535	3.5
132.02171	1.3
133.02963	24.8
134.03325	0.5
135.04529	1.2
137.33215	0.3
149.02460	0.4
149.59795	0.3
150.03215	1.2
151.04007	5.6
152.07141	0.5
159.04477	0.7
161.02449	100.0
162.02785	4.1
163.04001	0.5
180.73627	0.3
205.09605	0.3
269.08087	2.0
285.12463	1.0
313.07178	25.8
314.07458	2.1
565.24731	0.8
593.83472	0.4
609.23822	0.8
641.26147	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	641.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.7
69.55117	8.9
69.55439	2.5
80.05061	10.0
94.06643	2.5
104.05058	4.0
106.06631	3.7
107.03753	6.6
120.04525	1.4
120.08209	2.9
121.05342	4.8
122.06125	46.9
123.06464	2.2
130.06618	1.6
132.04533	3.1
134.05205	1.9
134.06134	16.4
148.04045	2.9
152.07175	50.2
153.07532	1.5
160.04077	2.9
160.06447	9.6
161.04816	1.9
162.05606	1.2
164.07185	1.1
171.86800	1.2
174.05594	5.8
190.05104	2.6
197.07234	1.3
213.10336	40.3
223.08911	2.2
225.10332	3.2
226.11082	2.6
237.10181	2.3
239.09648	1.7
239.11893	23.6
241.13470	22.1
242.13953	1.8
245.12883	10.7
246.13297	1.2
251.11879	5.2
265.09769	5.4
267.11423	2.4
285.12451	82.5
286.12714	8.3
293.12985	10.3
295.10849	10.4
296.11331	1.4
313.11914	5.2
314.12808	1.6
316.14545	2.7
323.10318	13.4
324.10901	2.5
325.11978	3.5
328.10910	4.2
330.12622	1.7
332.17715	2.1
339.10080	2.2
340.05872	1.3
340.10535	1.3
340.14453	2.4
342.12439	3.9
343.13284	4.3
344.13705	3.6
344.17569	1.5
355.12900	5.8
356.13641	2.8
356.17694	2.9
357.14758	4.5
358.15543	27.1
359.16104	5.4
370.12021	3.6
372.17111	2.3
384.13519	7.1
384.17624	1.3
385.14023	3.1
398.14990	1.3
399.15729	2.0
400.16663	21.6
401.16864	4.0
412.16565	5.2
437.32367	1.3
444.15518	1.4
497.25565	2.2
521.25714	1.9
523.23566	15.0
524.24103	2.4
537.25134	2.5
541.23950	1.4
565.24548	100.0
566.24817	18.3
568.22943	3.6
581.23706	1.9
609.23486	99.9
610.23834	20.6
641.26172	21.2
642.26654	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	641.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.9
61.98820	4.2
63.70979	2.1
69.42129	18.7
72.32063	1.9
72.99297	5.7
75.44431	1.9
79.28768	2.0
80.05057	8.6
93.03467	2.2
104.05062	2.9
106.06631	4.2
107.03761	6.7
109.02950	3.2
110.85567	2.3
113.02390	2.5
120.04502	3.2
121.05350	2.7
122.06120	57.1
123.04510	5.9
132.04555	3.2
133.02927	7.3
134.06120	13.0
135.04544	13.7
136.05298	21.3
137.02470	3.4
139.02751	3.1
139.03986	2.6
148.03999	3.8
149.02489	3.7
150.05618	5.9
150.06749	3.5
152.07173	70.1
153.07549	2.6
160.03993	3.5
160.06380	9.6
161.02440	28.9
161.04701	3.7
162.02679	3.5
165.08098	2.5
165.09215	25.5
167.03496	16.9
173.04803	2.3
174.05537	6.2
179.03546	12.1
190.05054	3.0
195.10278	3.8
209.11789	6.8
213.10326	30.8
223.08652	2.2
224.09425	2.4
225.10429	2.7
239.11858	27.9
241.13477	18.6
245.12839	8.1
246.59436	2.2
251.12010	4.8
267.06699	5.7
275.64456	2.5
285.12427	70.5
286.12805	7.2
293.09787	3.1
293.12906	8.9
295.10828	7.2
311.05521	8.5
313.11874	13.2
313.23721	8.7
314.12283	2.7
323.10214	12.5
325.11804	5.4
326.12512	2.7
328.10913	7.3
329.06677	5.4
342.12317	3.9
343.13141	7.3
344.13904	5.1
355.12903	9.8
356.13580	3.0
356.17722	2.4
357.14767	6.3
358.15570	31.9
359.16013	5.4
370.11853	3.6
384.13553	7.2
385.14331	3.4
400.16467	24.3
412.16428	5.7
450.54608	2.4
455.13007	4.0
461.32571	6.7
470.30078	4.9
471.15063	2.3
479.33728	16.4
497.25613	4.0
509.22269	4.5
513.28571	7.3
514.29047	4.0
521.25372	3.8
523.23456	22.5
524.23792	6.3
565.24585	97.9
566.24908	17.6
567.22070	5.0
568.23248	13.6
597.26569	3.2
609.23492	100.0
610.23785	18.4
641.26062	36.6
641.38971	40.9
642.26270	7.1
642.38672	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	641.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.8
60.52616	1.2
61.98808	1.5
69.47222	1.2
71.24063	1.1
72.99320	1.2
79.95745	1.5
80.05054	19.5
80.96519	1.8
88.98796	1.8
98.20612	3.5
104.05070	3.3
106.06596	4.4
108.04556	63.4
108.99403	1.3
120.04521	1.6
120.08221	2.3
121.05347	3.6
122.06131	16.7
130.06622	2.0
131.33788	1.1
132.04524	2.7
134.06119	7.1
135.04463	2.1
136.07658	1.6
137.02415	1.3
143.15656	1.5
148.04105	2.2
152.07210	1.6
160.04051	2.9
160.06415	7.4
161.02477	6.6
161.04697	3.0
174.05609	7.2
179.03569	1.0
190.05110	3.6
197.04588	1.2
198.12877	1.2
201.10333	8.0
208.06534	1.4
211.08701	1.5
213.10349	36.5
214.10640	1.8
221.07198	2.1
223.08723	5.9
224.09416	1.6
225.10255	5.4
226.11064	3.0
227.08263	1.4
235.08803	1.8
236.05740	1.7
237.06731	1.7
237.10294	1.6
239.11926	23.7
240.12311	2.0
241.13493	21.0
250.07248	1.7
251.08293	11.4
251.11876	4.2
252.08961	2.3
253.09703	3.5
265.09869	2.6
265.13147	1.2
266.06927	1.5
267.11459	3.1
269.09280	6.8
277.06183	1.3
277.09747	1.5
278.06918	4.6
279.07816	15.7
280.08289	1.8
281.09280	5.8
282.10165	1.5
283.10880	1.8
285.12436	73.6
286.12738	6.3
293.12967	11.2
295.07138	4.4
295.10715	2.4
305.05649	9.6
307.06952	1.2
311.10446	6.5
316.14630	1.2
321.08780	1.6
323.06808	5.6
328.10895	4.7
332.17603	1.4
333.33847	1.1
337.08310	24.6
338.08362	1.9
340.14380	2.5
342.12589	1.8
343.13141	3.8
344.13864	3.5
355.09396	2.6
356.13959	2.0
356.17871	1.6
357.14688	3.3
358.15668	15.9
359.16101	3.0
368.10269	2.2
369.14890	1.8
370.11661	7.1
372.17441	1.9
384.13553	11.3
385.14240	4.2
389.16354	1.5
399.15692	2.6
400.16696	24.9
401.17023	2.1
412.16519	4.0
453.22937	2.5
464.18155	2.1
465.18866	2.8
477.22458	1.6
479.20935	15.8
479.37247	2.1
480.21060	1.9
493.22638	1.8
497.22272	2.1
505.18640	1.4
521.21912	84.0
522.22314	13.2
523.20313	1.6
524.20184	1.8
547.19855	14.4
548.19513	1.8
559.57526	1.2
565.20831	100.0
566.21265	15.3
591.18762	4.2
597.23505	12.6
597.32422	1.7
598.24005	2.8
609.19562	21.6
610.20319	3.7
623.21460	2.4
640.68134	1.2
641.23047	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	641.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.8
61.98837	3.3
71.01399	3.2
72.99316	5.9
73.02935	1.3
79.95747	1.9
80.96522	5.8
87.00864	1.5
93.03449	10.6
96.96006	2.6
98.19797	1.6
101.02397	1.2
103.00435	1.3
106.06618	7.4
108.02173	1.6
109.02954	2.7
113.02434	1.7
116.92861	1.5
117.03425	1.3
119.05022	1.3
121.02991	1.6
122.06106	7.8
123.04538	4.1
126.90485	1.6
127.15211	1.3
128.43271	1.1
133.02963	5.6
134.06125	52.4
135.04523	13.3
135.06509	1.6
137.02470	15.8
144.04555	1.2
145.02960	3.2
149.02438	1.7
151.04039	1.5
152.01146	2.1
152.07152	6.3
153.01949	2.1
158.06136	1.8
161.02432	13.9
179.03514	4.1
184.07585	1.1
194.08177	3.0
194.09782	1.6
195.06891	2.1
196.07613	1.8
197.04558	3.6
210.09270	3.2
212.07220	1.8
213.10420	2.0
214.08650	2.1
222.09377	1.8
223.06380	5.2
225.00725	2.5
226.05209	1.7
226.08818	1.9
238.08763	16.3
238.11011	2.2
239.05766	5.6
239.09264	1.8
239.11902	1.6
240.06499	1.8
240.10225	1.7
246.28587	1.3
247.66689	1.1
250.08725	4.5
252.06604	1.8
253.04779	2.9
254.08182	4.0
256.09958	1.5
264.10175	4.6
266.08118	3.0
267.05212	7.1
268.09644	3.6
270.11343	3.7
279.11349	1.5
281.07114	1.5
281.10132	1.3
282.07697	52.5
283.08173	2.9
285.12335	2.0
294.07648	4.4
295.08182	1.6
308.09375	3.4
311.05582	1.6
314.10333	32.4
315.10699	4.3
323.10403	1.7
326.10379	3.7
327.10999	1.4
340.11942	2.0
341.12805	2.1
341.16565	1.5
342.17300	1.4
357.15933	5.3
358.15997	1.7
369.12308	1.2
370.13309	1.6
385.15500	7.1
387.13110	1.7
389.18124	2.0
400.16751	1.4
401.15158	3.1
417.18237	8.7
429.14667	9.3
433.17612	2.0
461.17133	37.3
462.17484	4.3
477.20309	12.5
478.20721	2.1
479.11749	8.6
479.18344	3.0
489.16589	23.8
490.17053	3.6
493.19809	8.8
494.19781	1.3
521.19269	100.0
522.19678	16.1
553.21844	10.3
554.22705	1.6
565.17621	11.3
565.25812	2.1
566.18555	2.4
609.23279	4.3
641.28119	14.8
642.28046	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	641.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
59.55188	0.5
61.76900	0.5
71.01381	3.2
71.64173	0.6
72.99290	0.9
73.02959	0.9
75.00854	0.6
85.02990	0.7
89.02463	0.6
93.03464	47.8
94.03795	1.4
101.02428	1.6
113.02471	1.3
113.06094	0.5
119.05011	1.0
132.02211	0.6
133.02965	12.3
135.02997	1.0
135.04527	6.0
137.02452	100.0
138.02776	4.0
145.57977	0.7
161.02455	53.7
162.02769	2.4
163.03979	2.3
177.01910	0.8
179.03540	9.5
180.03835	0.9
189.87692	0.5
203.03419	0.9
221.04524	1.1
245.06737	0.6
271.94437	0.6
281.06812	1.4
299.07690	18.5
300.08038	1.2
324.44797	0.6
341.08752	26.4
342.09213	2.6
386.97134	0.6
464.18298	0.7
542.81378	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	641.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.3
59.58191	0.9
61.98839	1.7
69.48178	0.7
69.50909	6.9
71.01388	1.8
72.99302	24.3
75.43243	0.8
77.80878	1.0
79.95750	1.1
80.96519	3.8
85.02896	1.0
89.47350	1.0
93.03457	39.9
94.98107	1.3
96.95990	1.3
104.41597	0.9
104.92342	0.8
106.06665	1.4
107.05043	0.9
109.02963	2.7
120.51223	0.9
122.03740	1.0
122.06119	2.1
123.04523	7.8
132.02142	1.6
133.02959	23.3
134.03778	2.0
134.06114	14.3
135.04526	26.7
136.04970	1.1
137.02443	100.0
138.02766	3.2
145.02922	1.3
151.03955	1.0
152.07156	1.4
161.02443	70.0
162.02800	2.9
179.03494	20.6
180.03789	1.1
181.94690	0.8
197.02829	1.8
197.04552	28.1
198.04979	1.4
223.06551	1.2
225.00616	1.5
225.05225	1.5
238.08694	4.1
253.04649	3.0
254.08298	1.4
267.05408	1.9
270.11230	1.3
271.05630	1.2
281.06781	2.5
282.07733	13.0
283.08090	1.0
294.07672	1.2
308.09204	1.2
311.05615	1.0
314.10345	8.4
326.10324	1.2
328.22214	2.3
340.11816	1.7
341.08740	9.7
357.15857	1.1
359.07718	9.2
360.08151	1.2
385.15414	1.9
401.15332	1.1
417.18124	2.7
429.14474	2.9
461.17142	10.6
462.17444	1.0
477.20453	2.8
479.11972	34.7
479.17615	1.3
480.12323	3.9
489.16525	5.8
493.19901	3.1
501.83124	1.2
503.12109	6.0
504.12271	1.3
521.12701	3.5
521.19373	29.7
522.19800	3.1
553.21991	2.7
565.17993	4.2
607.90344	0.8
641.15692	7.8
641.27502	8.5
641.83136	1.0
642.15698	1.7
642.28003	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	641.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
71.01382	2.5
71.65509	0.7
72.99302	0.5
73.02940	0.5
83.01411	0.7
85.02947	1.0
87.00875	0.8
89.02456	0.9
93.03459	44.8
94.03815	1.5
99.00866	0.7
101.02503	0.8
109.02917	1.0
113.02461	0.8
119.05034	1.4
123.04462	0.6
125.51843	0.5
132.02235	0.7
133.02957	8.6
135.02985	1.7
135.04529	5.2
137.02448	100.0
138.02791	3.7
141.58417	0.5
149.01012	0.6
161.02443	36.4
162.02783	1.4
163.04024	2.4
177.01897	0.8
177.05647	0.6
178.02216	0.6
179.03514	10.4
197.04660	1.2
203.03540	1.0
224.60875	0.5
236.46397	0.6
281.06647	1.1
299.07703	20.0
300.08179	1.2
303.68063	0.5
313.25754	0.5
341.08749	19.2
342.09164	1.4
359.07709	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	641.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58879	0.4
59.01381	3.6
61.63343	0.4
61.98818	1.6
68.68029	0.4
70.76668	0.8
70.77015	0.7
71.01390	0.6
72.98922	0.7
72.99315	10.6
91.05610	0.4
93.03458	24.2
94.03788	0.8
96.96019	0.7
101.02433	0.4
102.08483	0.4
105.03500	0.5
106.06646	0.6
107.05015	0.9
107.30423	0.4
109.02944	1.1
117.03493	0.8
118.75085	0.4
122.06129	0.7
123.04531	4.6
132.02164	1.7
133.02957	19.2
134.03809	2.0
134.06113	2.2
135.04530	34.0
136.04839	1.2
137.02451	42.7
138.02791	0.8
145.02957	0.6
151.04025	0.5
152.01120	0.8
152.07129	0.6
153.01962	0.7
161.02446	100.0
162.02768	4.2
179.03505	20.0
180.03882	0.7
180.69211	0.4
197.04556	14.5
198.04779	0.7
223.02502	0.9
225.05493	0.5
238.08733	0.7
253.04619	1.2
254.07944	0.4
281.06720	0.7
282.07767	2.1
305.06689	2.3
311.05499	0.7
314.10489	1.0
323.07770	1.4
340.11813	0.5
359.07718	35.4
360.08008	3.2
443.09814	7.3
444.10330	1.0
461.10785	1.4
461.17374	1.5
477.20303	0.5
479.11212	0.5
489.17148	0.9
493.19666	1.1
503.11884	3.3
504.12247	0.5
521.12341	0.6
521.19220	4.1
522.19995	0.7
553.22394	0.6
565.18231	0.5
641.15167	1.2
641.27911	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	641.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23417	0.3
59.01387	1.6
61.98821	1.6
71.01384	1.5
72.85852	0.3
72.99309	6.1
73.02936	0.5
75.00874	1.0
78.95918	2.4
83.01392	0.4
85.02989	0.9
93.03458	5.1
95.01401	0.4
96.96960	0.5
101.02438	1.7
107.04998	0.5
108.02165	0.8
109.02950	3.4
113.02448	1.0
116.92907	0.4
117.03455	1.3
121.02954	1.1
123.04524	3.1
132.02182	1.7
133.02965	21.1
134.03674	1.1
135.04532	24.1
136.04857	1.2
137.02451	13.5
145.02959	1.2
149.02557	0.4
150.03207	0.4
151.04039	1.4
152.01137	0.6
153.01834	0.5
160.01657	1.5
161.02449	100.0
162.02762	4.7
175.03983	0.3
179.03516	8.2
179.05084	0.4
197.04575	6.1
197.06340	0.4
206.12206	0.3
211.07628	0.6
227.03658	0.5
239.01343	0.4
239.07190	0.4
249.05540	0.4
250.06538	0.4
255.06636	2.4
267.06580	5.0
268.06961	0.5
281.03595	0.6
281.06683	11.2
282.07013	0.7
300.82123	0.3
311.05618	1.0
311.11154	0.4
323.07861	0.6
359.07611	8.3
360.08133	0.7
397.13745	0.4
399.10825	0.6
417.11755	2.0
433.37778	0.3
443.09830	62.0
444.10141	6.8
479.11987	3.0
479.18942	0.4
480.12555	0.6
641.14154	0.8
641.26483	1.5
641.38123	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	641.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.6
61.16714	0.4
69.69179	2.1
69.69585	0.9
71.01388	1.4
72.99308	44.0
73.99648	0.6
91.05550	0.6
93.03455	4.8
101.02444	0.7
107.04990	0.9
109.02952	2.2
113.02453	0.9
117.03486	0.5
121.02968	0.7
123.04523	14.5
124.04816	0.4
133.02983	4.9
134.03745	1.7
135.04527	41.4
136.04883	1.2
137.02437	9.1
148.96062	0.4
151.04070	2.1
153.01932	0.7
161.02451	11.2
162.02824	0.6
178.02698	0.6
179.03503	39.1
180.03789	1.2
197.04556	60.3
198.04872	2.6
221.04422	0.5
239.05637	0.9
244.39822	0.5
267.06738	1.1
281.06665	9.3
338.53918	0.5
340.52106	0.5
341.08667	1.4
354.07037	0.4
358.78812	0.5
359.09940	22.8
360.10196	1.6
373.18765	0.7
417.11823	0.8
418.12622	0.4
426.41962	0.4
461.10934	2.8
479.11926	100.0
480.05450	0.7
480.12234	11.8
480.18869	0.9
583.40863	0.4
641.15033	2.1
641.27588	0.6
642.16046	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	641.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98833	0.6
67.08179	0.4
69.42029	3.0
71.01376	0.4
72.99310	25.3
93.03461	45.6
94.03790	1.3
95.43935	0.4
107.05054	0.9
108.02182	0.6
109.02955	1.4
117.03461	0.6
123.03706	0.6
123.04533	8.8
126.90549	2.4
133.02959	3.2
134.03758	0.8
135.04529	23.8
136.01645	0.6
136.04852	1.0
137.02446	100.0
138.02783	3.0
150.03203	0.5
151.04016	1.3
152.01227	0.4
153.01874	0.7
161.02440	9.0
162.02783	0.7
163.04068	0.4
167.03506	0.4
176.53023	0.4
178.02682	0.8
179.03496	20.0
180.03793	1.0
197.04547	28.4
198.04883	1.1
239.05614	0.5
258.73392	0.4
281.06516	0.7
341.04779	0.8
341.08749	11.0
342.09119	0.9
359.09738	2.3
393.05612	1.1
461.10928	1.0
479.11935	81.3
480.12323	9.7
503.11667	0.9
623.26923	0.8
641.15564	0.8
641.27631	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	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60030	0.3
57.74112	0.3
59.01377	1.3
61.01048	0.3
68.58547	0.3
71.01379	1.9
71.13406	0.7
72.99310	41.9
73.02960	0.4
83.01299	0.4
85.02976	0.5
93.03458	4.9
101.02425	1.5
107.05039	1.1
108.02162	1.3
109.02940	3.3
113.02441	0.4
119.05051	0.8
121.02937	2.5
123.04526	13.3
130.11795	0.3
133.02965	5.0
134.03700	1.3
135.04527	32.3
136.04849	1.3
137.01410	0.8
137.02448	12.2
138.02777	0.5
145.02946	0.4
151.03983	1.7
152.01164	1.1
153.01955	0.8
161.02455	10.2
179.03496	32.5
180.03816	1.5
197.04546	42.0
198.04887	2.0
244.80173	0.3
260.52115	0.4
267.06601	2.9
281.06656	10.8
311.05756	0.6
343.21185	0.4
359.07642	0.8
479.11929	100.0
480.12277	12.8
641.15106	1.2
641.28040	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	641.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87011	0.4
59.01389	3.0
61.98830	1.5
63.25274	0.4
71.01393	0.6
72.99316	3.0
75.00866	1.0
78.95908	6.0
87.00878	2.3
93.03439	1.8
96.96968	1.0
108.02175	1.7
109.02955	34.9
110.03310	0.8
112.98795	1.4
117.03457	1.4
121.02951	8.5
123.04539	0.7
126.52881	0.4
133.02933	2.0
135.04521	8.1
137.02467	2.0
145.02974	8.8
146.03595	0.5
147.04443	0.9
149.00906	5.4
151.03970	0.6
152.01183	1.0
153.01961	0.8
153.05580	2.6
158.03711	1.3
159.04489	1.3
161.02428	5.5
163.04025	0.5
173.02614	0.6
174.03218	0.9
175.04002	0.5
179.03508	3.7
183.04730	0.5
191.38588	0.6
193.06567	1.8
196.05296	1.4
197.04520	7.3
197.06108	2.3
199.07668	1.1
201.01974	0.5
202.02684	0.7
209.05988	0.8
210.06847	0.7
211.07600	2.2
220.05115	0.8
221.06062	4.5
222.06680	1.2
223.07646	1.1
224.04793	1.2
225.05490	0.6
237.05551	2.0
238.06326	1.4
239.07114	4.8
248.04778	1.6
249.05554	7.8
250.06305	6.9
265.05115	2.1
266.05838	4.0
267.06601	100.0
268.06955	7.1
281.06650	0.8
283.06116	1.1
293.04553	1.1
311.05606	17.3
312.05737	1.1
329.05170	1.2
359.07782	1.0
392.44223	0.5
461.11084	1.0
479.12189	2.3
479.20303	1.3
509.10751	1.1
586.96411	0.5
641.15430	0.8
641.26697	3.9
641.36829	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	641.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44660	0.4
57.29446	0.3
59.01368	1.7
61.98825	1.0
65.06927	0.3
69.73840	2.1
69.84390	0.3
71.01360	0.6
72.99305	1.0
75.00858	0.7
85.81107	0.3
87.00871	3.2
93.02140	0.4
93.03441	1.1
108.02187	1.0
109.02953	38.8
110.03277	0.7
112.98826	0.5
117.03466	1.6
119.05072	0.4
121.02953	7.2
122.03237	0.5
123.00901	0.5
130.99852	0.5
133.02953	1.6
135.02991	0.6
135.04509	1.8
145.02950	10.1
146.03427	0.5
147.04515	0.6
149.00908	3.0
149.02145	0.4
153.05554	0.9
158.03731	1.9
159.04492	1.8
161.02438	4.4
163.03903	0.4
165.07048	0.5
166.99797	0.6
173.02411	0.6
174.03178	0.8
175.03949	0.9
179.03499	0.8
182.02159	1.1
183.04414	0.4
193.05034	0.3
193.06580	1.7
195.08369	0.3
196.05325	1.2
196.09062	0.3
197.04535	3.1
197.06117	2.3
199.07626	1.1
202.02705	1.2
209.06078	1.7
210.06757	0.5
211.07628	2.3
220.05328	1.3
221.06039	4.1
222.06816	1.4
223.07594	1.0
224.04810	1.3
232.05295	0.8
233.05959	0.4
237.05507	1.8
238.06377	2.0
239.07164	4.9
247.03786	0.5
248.04796	1.3
249.05557	9.5
250.06297	8.6
251.06721	0.4
252.04358	0.5
255.06680	0.4
265.05005	2.5
266.05817	5.6
267.06604	100.0
268.06934	8.0
283.06210	2.0
293.04507	0.9
311.05594	21.7
312.05927	1.8
345.23660	0.3
509.10880	12.5
510.11328	2.5
641.12549	0.4
641.27094	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	640.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41178	1.7
59.01382	55.7
64.29532	1.9
71.42126	3.3
81.04365	1.7
106.06641	4.9
122.06105	4.5
122.88682	1.6
134.06122	44.2
135.04506	2.7
152.07175	3.5
179.03589	1.9
225.10373	1.9
235.08858	2.5
237.06676	3.2
237.10341	5.5
238.07423	2.4
239.08186	3.0
249.10368	3.2
251.08286	7.9
252.05641	1.9
252.08876	2.4
253.09811	8.9
263.08209	4.1
263.11929	1.9
265.06143	6.0
265.09741	5.7
266.06940	14.8
278.06931	9.3
279.07751	5.0
280.08505	4.6
281.09299	82.3
282.09595	5.1
292.08475	3.6
293.09338	55.7
294.09790	5.0
294.24747	2.4
307.10873	10.9
313.11978	7.3
325.12030	2.7
360.17142	1.9
383.29166	1.8
384.17096	2.4
386.15540	2.6
400.16611	6.2
413.13516	2.5
428.16205	16.0
429.16125	2.8
460.18774	12.4
461.19330	3.1
488.18256	81.5
489.18591	14.8
502.98508	1.7
504.17795	2.6
520.20935	29.2
521.21460	4.3
522.18665	1.7
532.17230	56.3
533.17499	6.0
564.19855	100.0
565.20294	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	640.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	3.1
59.01379	57.2
68.59074	1.5
71.40202	2.8
72.95795	1.8
87.14688	1.8
99.93051	1.7
104.73629	1.6
106.06640	10.2
119.13950	1.7
122.06111	6.8
134.06116	45.7
152.07195	4.2
161.02394	1.6
194.08231	2.3
225.10388	3.2
229.14282	2.1
234.07799	1.9
237.06648	4.5
237.10318	5.6
238.07109	2.7
239.08229	2.4
249.06532	2.4
249.10300	3.4
250.08733	2.2
251.08264	5.7
253.09843	8.4
263.08188	2.9
264.08990	1.9
265.06281	9.4
265.09760	6.9
266.07010	17.3
266.09747	3.5
267.11337	2.3
277.06122	2.6
278.06976	9.3
279.07700	6.6
279.11218	1.8
280.08536	5.4
281.09311	86.8
282.09567	6.3
284.08002	2.6
291.07849	2.0
292.08527	3.4
293.09335	55.2
294.09830	6.5
307.07581	3.1
307.10822	13.6
313.11899	6.1
339.13721	2.8
348.24747	1.9
400.16571	7.7
413.13766	2.3
428.16132	17.8
429.16449	2.1
460.18805	11.2
488.18277	91.7
489.18771	10.4
504.17542	3.2
520.20770	30.0
521.21008	4.5
522.18512	2.3
531.95581	2.0
532.17212	52.9
533.17523	6.8
564.19879	100.0
565.20227	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	640.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	2.2
59.01382	38.8
61.98835	9.4
71.01392	2.0
72.99290	2.8
75.00847	1.2
79.95702	1.1
85.02953	1.2
87.00848	2.6
88.98799	5.3
93.03461	2.0
96.96014	16.1
101.02445	2.0
104.05061	1.5
105.01933	1.8
106.06622	7.6
108.02148	2.8
109.02937	3.7
113.02439	2.6
116.05063	1.9
119.05040	1.8
122.06118	8.8
123.04559	2.1
124.03024	1.2
124.04037	3.6
132.04555	8.2
133.02948	4.7
134.06119	51.9
135.04506	12.4
135.06482	2.4
136.04909	2.5
137.02411	4.9
145.02945	1.8
146.06041	1.3
152.01109	2.8
152.07172	8.0
153.01938	1.5
158.02437	1.2
158.06111	2.0
160.04047	8.5
161.02475	13.1
161.04594	1.7
162.02824	2.0
164.03491	2.3
164.07253	1.7
165.04065	6.1
172.03979	2.8
176.03511	3.3
179.03430	9.4
180.03899	2.0
190.05072	5.7
192.06644	35.8
192.08403	1.8
193.06981	1.6
194.08267	2.9
196.06114	2.0
197.04549	2.7
204.06664	12.2
218.08202	1.5
223.02663	1.2
237.10275	2.8
239.11845	1.5
251.08121	1.3
251.11833	2.6
253.04796	1.5
253.09773	1.3
256.03427	1.4
264.08887	1.4
265.09790	1.7
267.06705	2.0
278.10620	2.0
279.11404	6.8
280.11765	2.0
281.09338	8.5
282.07458	2.3
289.66525	1.4
293.09290	5.8
307.10846	13.8
311.05655	2.3
311.13947	6.1
313.11865	1.9
323.10519	1.3
327.07385	1.9
337.11844	3.7
339.13458	100.0
340.13766	7.9
357.14490	4.0
367.12976	4.6
391.71112	1.2
397.14050	8.7
398.14471	1.7
399.15591	26.7
400.16028	4.5
413.13297	1.4
428.16290	1.8
460.18539	3.7
488.18127	7.9
489.17737	1.3
492.21259	2.0
520.20813	7.1
521.19702	6.2
522.07300	1.3
523.53119	1.3
532.17157	4.8
536.20526	1.9
553.22937	2.3
564.19818	14.8
565.19226	3.1
596.22363	9.3
641.27783	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	640.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59531	1.5
59.01381	77.8
61.98830	2.9
69.39947	2.4
69.40350	10.2
71.01385	2.8
72.23222	1.2
72.99287	1.8
75.00877	1.3
93.03474	1.7
101.02495	1.4
103.00361	1.2
106.06618	10.1
108.02186	2.0
109.02983	1.8
116.05076	2.3
116.92882	1.9
121.02966	1.2
122.06121	8.5
123.03257	2.4
123.04578	1.9
132.04564	8.5
133.02945	5.7
134.06119	81.0
135.04521	8.9
135.06490	3.0
137.02438	4.1
138.05612	10.1
144.04561	4.1
145.02921	1.8
146.06128	2.1
152.07164	10.0
153.01912	2.2
158.02501	2.7
158.06094	3.7
160.03990	5.8
161.02435	28.1
163.04007	1.3
164.07100	1.5
172.04053	3.5
174.05565	1.4
176.03503	3.5
179.03430	3.9
182.04529	2.4
190.05051	15.5
192.06671	11.9
194.08200	4.9
197.04559	2.8
198.07846	2.0
202.05106	2.5
203.05713	1.4
204.06645	5.8
209.10875	1.6
213.10245	5.3
225.10313	2.7
235.08705	2.2
237.06602	2.0
237.10335	9.7
238.07216	1.3
238.08952	1.6
239.08324	3.7
239.11905	1.4
249.06718	2.5
249.10313	5.4
251.08202	5.3
251.11839	3.9
253.09854	7.5
254.08183	2.5
254.10631	1.3
263.08240	4.8
264.09058	1.9
265.06299	6.4
265.09622	5.7
266.06900	8.8
266.09521	1.1
270.11221	1.3
277.09848	3.0
278.06943	4.9
279.07635	3.9
279.11337	10.1
280.08563	3.8
281.06683	2.7
281.09311	47.1
282.09668	4.3
291.07791	2.8
292.08493	3.9
293.09299	26.3
294.09747	5.2
295.10968	2.9
298.30978	1.2
305.09338	4.1
306.09805	1.5
306.36447	1.2
307.10822	15.5
308.11246	1.5
309.08820	1.6
309.12372	2.7
311.13889	2.8
313.11792	6.6
323.10382	10.1
324.10825	1.8
325.08185	1.7
325.11874	4.6
336.11008	1.3
337.08078	1.9
337.11905	15.6
338.12357	3.3
339.13443	21.2
341.11493	1.7
356.17563	2.6
358.84274	1.2
359.07495	1.7
367.12943	3.5
372.53702	1.4
383.12515	3.6
384.17242	3.4
385.15262	1.9
386.15155	3.9
397.14035	29.0
398.14749	6.6
399.15564	5.3
400.16788	6.6
401.17108	1.7
413.13535	2.0
416.19778	3.7
428.16138	16.8
429.16324	2.0
430.13815	5.5
433.17664	1.5
443.09854	11.0
444.19455	2.8
460.18756	28.0
461.19131	4.6
472.14386	1.3
476.22021	2.0
488.18274	33.8
489.18457	4.9
492.21457	7.5
493.20358	2.1
504.17661	8.1
520.20844	57.6
521.21356	8.6
532.17236	22.1
533.17627	2.7
536.20605	2.5
546.18646	2.2
552.23425	13.6
564.19830	100.0
565.20178	15.7
596.22504	20.1
597.23071	4.2
636.32153	1.5
641.27856	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	639.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16987	1.1
59.01382	31.3
61.63998	1.2
69.62572	7.5
71.01383	20.1
72.99316	1.6
85.02951	4.1
86.33105	1.0
89.02441	29.0
90.96799	1.0
95.01372	1.4
101.02442	15.9
104.06667	1.0
109.02958	2.1
113.02444	11.3
119.03520	10.4
143.03473	1.0
153.01926	1.2
159.60098	1.2
203.08244	1.5
289.59341	1.1
323.13474	100.0
324.13626	6.6
399.69873	1.3
446.38235	1.3
583.57349	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	639.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	37.0
60.01732	0.5
61.98820	2.9
71.01389	1.0
71.14654	1.3
72.99329	0.9
73.02955	0.7
77.60953	0.5
80.05059	0.9
81.83012	0.5
94.06622	1.6
96.96014	0.6
104.05062	0.8
106.06628	9.4
107.03757	2.9
108.04534	0.9
118.06676	0.6
120.04564	0.6
120.08187	0.9
121.02965	2.2
121.05373	0.7
122.06123	42.4
123.06478	1.0
132.04565	1.8
133.02969	1.6
134.06123	54.9
135.04495	2.1
135.06499	1.7
136.07727	0.9
137.02437	0.6
145.02948	0.5
146.06172	1.1
149.02536	0.8
152.07159	4.9
158.06174	1.1
160.04054	0.6
161.02423	4.0
165.01892	2.4
172.07713	0.8
179.03453	1.9
190.05138	2.5
193.04988	0.9
194.05392	0.5
194.08247	1.3
197.04623	0.5
202.05106	0.7
205.42569	0.5
211.08711	0.7
211.12457	1.8
213.10316	0.7
221.10834	1.2
225.10300	0.8
227.11842	0.6
233.07298	0.5
233.10872	0.9
234.07909	1.0
235.08746	1.9
235.12328	3.6
236.09535	0.7
237.10324	9.9
241.13390	2.5
247.08821	1.9
248.09544	2.3
249.10289	11.4
250.10962	2.0
251.11795	0.8
257.12943	1.1
260.09515	0.7
261.10291	3.5
262.07428	2.9
262.10986	1.3
263.08173	1.2
263.11810	2.7
264.08923	1.1
265.09781	0.5
267.11310	0.8
274.07651	0.5
275.08368	1.1
275.11954	1.6
276.08975	1.9
277.09814	10.3
278.10522	3.4
278.13275	0.6
279.11337	1.9
283.10571	0.8
285.12564	0.6
288.09045	1.2
289.09766	7.4
290.10538	4.0
291.11322	2.4
293.13077	0.8
299.10303	0.5
301.09589	0.6
302.10962	0.6
303.11414	3.3
304.11935	0.6
307.10956	0.6
309.12466	9.4
310.12656	1.0
321.12491	1.7
322.09637	1.0
325.15598	2.0
326.13168	1.5
332.17679	1.7
335.10602	0.6
335.14087	2.1
337.11890	4.0
338.12863	0.9
339.13629	0.5
340.10861	0.6
340.14597	1.6
342.15912	0.6
344.84058	0.5
352.14609	0.9
354.12463	1.4
356.13498	0.7
356.17703	8.2
357.18069	1.5
358.15652	1.0
366.12280	0.9
367.13208	0.6
368.13989	1.7
368.17795	1.3
369.14612	0.8
370.15735	1.3
380.13840	1.0
380.18051	0.9
381.14679	0.6
382.15811	3.5
383.16177	1.3
384.17245	11.9
385.17682	1.2
396.12854	0.7
396.17197	5.7
397.13712	3.5
398.14896	1.5
400.16782	4.1
405.60394	0.5
409.14349	1.1
410.14984	1.1
411.15808	0.7
412.16602	1.4
424.16660	11.2
425.17123	2.4
428.19644	1.1
432.19293	1.4
442.17776	0.8
444.19391	2.4
456.19257	42.6
457.19705	6.6
474.20413	1.5
479.24542	1.4
484.18909	4.3
485.19324	0.8
505.22531	6.4
506.22733	1.6
516.21375	100.0
517.21753	17.0
539.26715	0.6
547.23584	21.3
548.23926	2.7
563.23035	2.5
565.24707	0.7
566.25250	1.2
579.26135	19.1
579.35284	1.0
580.26178	3.7
597.27374	1.4
607.25800	7.6
608.25409	1.9
621.31903	0.6
623.85553	0.5
639.28180	18.0
640.28967	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	639.2459
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
50.76483	1.1
59.01381	16.8
61.98833	3.9
70.40248	3.7
71.01388	3.1
72.99306	1.5
80.05058	5.7
85.02934	1.3
89.01682	1.2
92.05047	1.5
94.06642	5.1
94.58099	1.3
96.96053	1.8
104.05079	2.7
106.05912	1.5
106.06638	22.2
107.03779	2.5
109.02973	1.4
113.02464	1.9
120.04574	5.7
120.08200	1.3
121.05313	1.8
122.06123	22.8
130.06673	2.1
132.04585	6.8
133.02930	3.7
134.06117	14.6
135.04504	4.8
137.02483	1.5
145.02972	1.7
148.04103	6.7
149.02455	1.2
149.04817	2.0
150.05608	47.6
151.06032	1.6
152.07156	3.9
160.04033	3.8
160.06406	4.2
160.07628	2.1
161.02454	13.2
161.04752	1.6
162.05553	2.4
174.05608	2.5
179.03508	4.8
190.05132	3.4
192.06706	1.8
213.10342	25.2
214.10577	1.4
221.07095	1.2
223.08818	2.3
223.12379	1.9
225.10406	3.8
226.11023	2.3
235.08694	1.8
235.12317	1.3
237.10342	3.6
239.11893	16.0
241.09761	2.3
241.13445	8.7
243.11389	5.7
249.06516	2.0
249.10468	2.3
250.07425	1.4
251.08189	3.6
251.11942	4.1
255.11232	2.8
257.13004	2.2
263.08334	2.2
264.08920	2.5
265.09778	5.8
267.11383	4.3
277.09702	2.5
279.11340	5.4
281.09259	1.4
283.10834	11.1
285.12451	39.4
286.12860	3.6
293.09338	7.2
293.12982	7.9
294.09973	1.4
295.10760	1.6
297.12341	1.7
309.04163	1.1
311.05569	1.2
311.10352	2.7
313.12686	1.2
316.14490	1.6
321.08737	12.0
323.10208	2.0
325.12067	2.4
328.10886	2.7
330.16211	1.5
332.17630	1.3
336.72357	1.1
337.08371	1.5
340.14578	3.1
343.13120	2.7
344.13916	2.7
353.11368	7.3
354.12048	1.2
356.13794	2.3
356.17633	1.6
357.14832	2.7
358.15457	10.7
359.16211	2.2
362.22870	1.2
369.14575	2.0
370.11908	2.2
371.12662	1.2
384.13367	6.7
385.14325	2.3
386.18973	1.3
396.13504	1.2
398.14957	3.5
399.15710	1.5
400.16681	15.8
401.17380	2.0
402.18121	1.3
410.15015	1.1
412.16733	5.8
430.17859	2.8
495.23990	3.6
507.20337	1.8
519.23962	3.1
521.22034	11.3
522.22357	3.1
524.75250	1.3
535.24182	1.5
563.22980	100.0
564.23352	17.5
566.21606	2.1
578.38055	1.3
579.23944	1.8
589.21075	1.6
595.26001	2.0
607.21967	86.0
608.22217	16.4
608.31458	1.8
621.32373	1.4
639.24609	33.2
640.24988	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	639.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.6
61.98829	14.2
64.39950	1.6
71.01355	1.9
71.62965	1.5
71.74224	1.5
80.49526	1.5
89.03981	4.0
96.96013	3.2
99.06557	1.4
100.38200	1.3
110.80056	1.5
117.03482	10.7
121.03008	2.4
132.02200	2.9
133.02991	7.6
134.03748	100.0
135.04373	3.4
139.35376	1.6
149.06079	7.0
158.03682	3.1
160.01672	17.0
161.02451	15.7
173.06035	3.3
175.04019	12.9
179.03476	3.8
181.71126	1.9
187.03941	1.9
193.05061	98.8
194.05408	4.8
201.01927	9.5
202.02722	10.3
203.03152	1.5
217.05075	26.2
218.05232	1.8
336.21451	1.6
491.22806	13.1
492.23077	1.9
509.23935	1.9
551.25122	9.7
552.25201	2.6
607.22620	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	639.2456
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
55.44499	0.8
61.11775	0.8
92.05022	1.0
94.06625	5.3
106.06567	1.7
107.03767	21.7
118.23921	0.9
118.83269	0.8
120.04546	1.9
121.05274	1.5
122.06124	79.7
123.06445	2.4
124.07677	1.1
134.06125	11.6
139.02734	7.4
150.05553	2.0
152.07173	98.2
153.07474	2.8
161.02473	1.8
230.27985	1.3
248.09660	0.9
249.09999	1.0
261.91794	0.8
275.08279	1.2
300.21591	0.9
326.13193	1.3
330.15924	1.1
340.10965	2.0
342.12390	1.5
352.10931	2.3
354.12320	7.3
354.15970	1.1
355.13309	1.5
356.14001	2.3
366.12552	1.6
367.09622	7.1
367.13644	1.9
368.10071	3.8
368.14017	4.5
369.14117	1.0
370.15625	12.0
371.15936	1.4
372.17102	2.0
380.10278	3.0
382.11707	10.9
382.15186	1.1
383.12610	12.1
384.13287	1.4
394.11771	2.6
395.12933	4.4
396.13562	4.6
397.14246	2.2
398.15063	46.4
399.15616	4.7
410.15054	18.0
411.15405	4.2
428.16324	1.0
429.17413	1.1
430.17789	5.9
519.23798	3.4
521.21735	1.9
522.22675	1.8
535.23859	6.0
536.24066	2.1
548.20679	1.7
563.22974	100.0
564.23309	16.7
595.25659	36.7
596.26355	6.5
607.21985	59.0
608.22375	9.0
622.38580	0.9
639.13879	1.7
639.24567	36.0
640.25037	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	639.1565
Annotation	CHEBI:67938
Peak:m/z	Relative Intensity
51.46460	1.2
59.01389	11.7
59.50136	1.3
62.11028	1.3
69.33753	1.3
70.25929	1.3
70.44492	2.3
70.44881	2.9
72.99303	2.7
85.02959	2.8
95.01382	1.6
100.95867	1.3
101.02438	2.9
108.02180	57.0
109.02971	28.2
113.02440	3.4
117.03459	1.7
117.40009	1.3
121.02924	3.9
123.04515	3.3
133.01996	2.6
133.02953	28.6
134.03726	1.8
135.02972	1.7
135.04524	17.4
137.02385	3.1
145.02959	1.4
147.04456	1.3
149.02417	1.6
151.04016	2.2
152.01157	83.4
153.01941	27.9
159.04579	1.7
161.02444	95.6
162.02762	4.1
163.04007	2.7
165.01897	1.7
165.05559	1.8
166.02747	3.0
168.56898	1.4
175.03979	2.0
177.05499	2.9
179.03522	11.1
181.05032	4.4
187.00294	1.5
195.03032	2.0
195.06531	2.3
195.10283	1.9
197.04408	1.4
221.04588	1.7
239.09201	10.7
315.07214	60.3
316.07568	4.9
323.07574	5.1
433.11215	6.0
459.09155	3.8
477.10367	100.0
478.10696	12.2
519.11157	6.5
639.15625	99.2
639.26471	2.5
640.16058	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	639.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
59.15508	0.8
71.01363	2.1
71.12325	1.5
71.12669	0.9
72.99306	1.0
75.00880	9.0
78.07896	0.9
85.02963	1.2
87.00851	1.0
89.02422	1.9
91.71627	0.9
108.02161	2.4
109.02957	100.0
110.03267	3.2
117.01916	2.0
119.05034	17.4
121.02917	1.1
123.04506	3.0
131.05029	2.8
131.07150	1.0
133.02975	7.3
135.01971	1.7
135.03008	28.5
135.04514	11.3
137.02419	1.3
137.46745	1.0
145.02905	2.7
146.03738	1.9
147.04550	9.0
151.03946	1.5
158.03780	1.7
159.04523	36.0
160.04900	1.9
161.02475	5.6
163.04022	26.2
164.04407	1.1
167.62396	0.9
174.03340	1.1
175.03990	7.3
179.03484	4.3
199.07634	1.5
203.03500	24.8
204.03812	2.0
225.05600	1.1
237.05437	2.3
237.71344	0.8
239.07111	1.1
241.08519	1.1
247.02484	2.7
251.07147	3.1
252.07750	1.5
253.05208	1.5
254.05763	4.1
255.06543	1.8
267.06671	3.7
268.70901	0.9
269.08197	40.1
270.08508	3.5
271.02551	1.9
281.06656	6.5
285.04327	1.1
285.48752	0.9
286.04181	1.1
295.06119	3.7
300.02750	1.9
313.07178	26.7
314.07480	2.9
357.06152	79.3
358.06442	6.8
463.08734	3.2
498.96161	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	637.372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85418	1.6
70.29630	6.3
76.44253	1.7
78.95909	18.3
96.96004	2.3
96.96996	2.7
123.25805	1.9
127.11249	1.9
133.05328	1.7
144.45255	1.9
152.99608	16.2
163.50740	1.8
171.00638	3.4
171.10269	79.3
172.10585	3.0
190.34787	1.7
194.69099	1.7
238.55637	1.9
255.23297	100.0
256.23651	6.9
263.46527	1.8
307.09579	5.2
381.13013	2.7
399.14209	3.4
637.37268	60.6
638.37897	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	639.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.1
61.98822	1.2
71.01389	4.2
71.64799	0.8
71.73772	0.6
72.99300	0.9
73.02930	0.9
83.01405	0.8
85.02929	0.7
88.98815	1.0
89.02431	2.1
93.03456	5.2
96.96001	0.8
98.97033	0.7
101.02445	2.4
108.02176	2.5
109.02953	98.2
110.03294	2.8
113.02528	1.2
115.05537	1.5
116.92850	1.4
119.04996	2.1
121.02943	1.9
123.04527	2.1
129.03430	1.1
130.04213	1.6
131.05040	3.1
133.02924	6.3
135.04515	8.5
137.02466	8.8
145.02930	2.3
146.03743	1.3
147.04549	7.6
149.02383	0.8
151.03995	1.3
151.07726	0.6
158.03691	1.4
159.04520	37.9
160.04964	1.7
161.02432	8.3
163.03958	1.7
173.05971	0.8
175.03993	8.0
177.01936	0.9
179.03513	4.0
185.06056	0.6
187.63672	0.6
191.03432	2.1
193.12294	0.9
197.04512	1.0
197.06152	0.7
198.06877	1.1
200.54060	0.8
203.03508	27.5
204.03899	1.4
222.54121	0.6
225.05666	0.9
226.02850	0.7
227.03532	0.7
237.05562	2.5
239.07181	1.2
247.02525	2.2
249.05489	0.8
251.07179	2.5
252.07994	1.0
253.05072	1.9
254.05902	6.7
255.06627	3.0
266.05783	0.7
267.06638	2.7
269.08185	47.5
270.08554	3.8
281.06653	7.6
283.10312	1.8
285.07706	1.0
295.06259	2.1
309.04156	3.3
313.07162	25.3
314.07416	2.3
339.04977	1.7
357.06152	100.0
358.06409	8.7
373.18704	4.8
402.39331	0.7
431.13522	0.7
475.12701	1.2
507.09158	1.1
519.11713	1.2
551.15399	1.4
595.14691	1.6
638.37646	1.8
639.13531	6.7
639.37848	2.1
640.13531	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	637.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17667	0.6
53.15849	0.6
57.03450	1.2
58.00598	0.7
59.01379	82.7
60.01719	1.1
61.98818	1.0
71.01383	16.2
71.01763	1.2
71.39791	1.3
72.99319	1.9
73.02961	1.9
73.62316	0.7
75.00870	0.8
78.34187	0.7
78.39996	0.6
83.01398	1.9
83.05031	1.1
85.02946	4.1
87.00883	2.6
89.02440	16.8
89.02987	1.0
95.01402	1.5
96.96008	1.2
101.02442	12.0
107.05068	2.0
109.02909	0.9
113.02454	6.5
118.81680	0.7
119.03498	7.4
135.04530	2.1
145.02983	0.8
161.02417	2.5
161.09734	2.2
161.13374	0.7
163.04082	0.9
163.11270	9.6
179.03520	1.0
187.11298	2.7
189.09149	1.4
205.12308	1.3
207.10257	17.3
208.10628	0.8
223.13428	1.6
225.11327	1.2
369.15479	2.0
387.16580	100.0
388.16913	8.2
575.28290	2.3
577.26483	4.7
619.27557	1.6
637.28638	83.6
638.28857	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	637.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26720	0.6
55.01863	0.7
57.03452	1.8
58.00593	1.4
59.01381	88.4
61.98833	1.6
62.12034	0.7
71.01381	16.2
72.99335	1.4
73.02943	1.0
83.01399	1.1
83.05045	1.1
85.02953	3.7
87.00877	1.2
89.02444	16.1
95.01427	1.3
99.00903	0.8
101.02448	13.3
107.05048	0.9
108.14102	0.6
109.06600	0.5
113.02439	6.8
115.15536	0.6
119.03503	5.4
129.38499	0.6
133.02977	1.3
135.04550	2.6
139.07912	0.6
146.07396	0.8
147.08191	0.8
161.02431	6.6
161.04504	0.7
161.09694	1.9
163.11278	11.2
164.11623	0.7
166.79372	0.6
179.03482	1.3
187.11272	1.7
189.09229	1.1
205.12263	1.1
207.10254	17.3
208.10574	1.1
223.13371	1.4
313.07101	0.9
339.40070	0.7
369.15402	1.5
384.54449	0.7
387.16586	100.0
388.16940	7.9
567.88049	0.8
575.28900	1.4
577.26575	4.3
619.27679	1.7
637.28613	94.6
638.28973	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	637.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13124	0.7
57.03450	3.3
58.00593	1.2
59.01382	100.0
60.01733	1.2
61.98835	4.1
69.55483	5.2
71.01384	24.9
72.99317	3.1
73.02963	2.7
75.00897	0.9
78.95902	1.8
80.63805	0.7
83.01388	2.4
83.05036	2.2
85.02962	6.7
87.00874	7.1
88.98809	1.0
89.02449	18.9
93.03481	1.2
95.01394	2.0
95.05009	1.5
96.96004	2.2
97.06599	2.4
99.00868	0.7
101.02447	15.3
107.05042	6.2
109.03014	1.6
109.06629	1.2
112.04053	1.0
112.98926	0.9
113.02452	9.8
116.92894	0.7
119.03489	7.0
119.05011	1.7
120.05801	1.5
122.03689	0.9
125.02457	0.8
131.03452	0.9
133.02956	3.2
134.03748	0.9
135.04527	8.0
135.08127	0.8
137.02414	2.0
145.02963	1.8
147.04532	2.1
147.08147	0.9
149.02466	1.5
157.06555	0.7
161.02466	6.7
161.04492	1.2
161.06053	0.8
161.09711	13.0
161.13370	3.5
162.10117	0.9
163.04018	1.6
163.11281	11.8
164.11626	0.9
164.70686	0.7
171.00578	1.1
179.03482	3.2
187.11272	16.1
188.11594	1.7
189.09186	8.3
197.04596	2.2
203.10774	2.4
205.12349	7.8
207.10249	17.9
208.10518	0.9
209.11816	0.8
221.11880	1.1
223.13402	4.0
225.11208	1.1
247.13261	1.0
249.11346	7.1
265.05081	0.9
267.06403	1.1
267.12427	3.8
285.03961	2.5
309.13519	0.8
313.07162	0.9
351.05612	1.2
369.15546	1.8
387.16595	91.3
388.16812	7.9
429.17419	0.9
430.18436	0.8
431.17978	1.1
575.28546	1.8
577.26337	3.2
578.27600	1.0
595.33350	0.9
619.28259	1.6
637.29938	96.9
638.29596	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	637.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49026	0.5
55.01877	0.8
57.03458	0.8
58.00602	0.8
59.01378	80.0
60.01717	0.9
61.98812	1.1
62.39911	0.4
69.66934	0.9
69.67345	1.9
71.01381	16.5
72.99314	1.3
73.02940	1.7
83.01388	1.3
83.05029	0.6
85.02958	3.3
87.00877	2.0
88.21184	0.4
89.02441	15.6
89.02988	0.8
95.01397	1.3
96.95997	0.6
99.00840	0.5
101.02441	11.4
107.05029	1.2
107.49828	0.5
109.06577	0.8
113.02448	6.1
119.03503	4.7
119.05003	1.6
121.23846	0.4
133.02937	1.2
135.04527	3.1
137.02463	0.5
143.03487	0.5
145.02921	1.0
145.10231	0.5
147.08203	0.4
150.06880	0.7
161.02458	3.6
161.09676	2.3
161.13379	0.8
163.03995	1.5
163.11298	9.0
163.21957	0.5
164.11578	1.1
179.03481	1.6
179.10689	0.7
187.11282	2.4
189.09221	1.1
203.25090	0.5
205.12279	1.2
207.10248	18.6
208.10590	0.9
209.11705	0.5
223.13457	1.5
225.11354	0.8
249.11244	0.7
267.12344	0.8
277.39615	0.5
294.67801	0.5
311.06100	0.5
369.15524	1.2
387.16586	100.0
388.16885	9.0
475.34067	1.9
575.20740	0.8
575.28796	1.3
577.26654	3.3
619.27112	1.4
637.28601	75.5
638.28894	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	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95647	0.8
57.03437	2.0
58.00600	1.3
59.01383	88.5
60.01696	1.1
61.53038	0.9
61.98811	3.3
71.01388	17.5
71.66277	1.0
72.99295	2.7
73.02938	2.0
77.52625	0.7
78.34258	0.7
78.95876	1.4
79.42960	0.7
83.01358	2.1
83.05027	0.8
85.02949	5.0
87.00873	3.1
89.02443	15.8
93.12246	0.8
95.01340	1.2
101.01842	1.2
101.02445	12.6
107.05013	2.5
113.02445	9.0
117.86121	0.8
119.03492	6.2
120.05802	0.8
123.04484	1.3
133.02991	2.1
135.04509	4.2
137.02419	1.3
145.02882	2.1
147.08095	0.9
161.02432	10.0
161.04539	1.1
161.09709	4.1
161.13287	1.4
162.02792	1.1
163.04022	0.8
163.11308	9.5
179.03418	3.1
187.11243	3.7
188.62021	0.9
189.09178	1.3
197.04533	1.2
205.12302	2.7
207.08273	1.4
207.10245	16.5
223.13383	1.8
225.11267	1.1
245.90112	0.9
249.11298	1.5
267.12350	2.4
283.28522	0.8
313.45111	0.8
314.15024	1.0
341.08813	1.0
359.07352	1.5
369.15402	3.0
387.16595	100.0
388.16895	10.3
575.28528	2.0
577.26581	3.4
595.33795	1.5
619.27307	2.7
636.30829	1.0
637.28632	84.6
638.28735	14.1
638.37531	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	637.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99116	0.3
54.54270	0.3
54.95726	0.3
55.01884	0.5
57.03453	0.8
58.00588	1.0
59.01382	79.3
60.01727	0.6
61.98828	0.3
69.36060	0.3
69.36688	2.5
71.00985	0.8
71.01382	14.0
72.99325	1.7
73.02960	1.0
83.01382	1.4
83.05026	0.7
85.02953	3.4
87.00890	1.7
89.02446	15.0
95.01407	1.2
97.06583	0.4
99.00886	0.6
101.02444	12.7
107.05032	1.6
109.06607	0.3
113.02448	6.2
119.03505	5.9
119.05009	1.1
120.05839	0.6
123.04492	0.4
135.04547	2.0
142.16136	0.3
143.03439	0.5
145.02980	0.6
147.08247	0.5
153.61615	0.4
161.02440	1.7
161.04518	0.5
161.09738	1.7
161.13383	0.9
163.04041	0.8
163.06223	0.3
163.11285	9.0
164.11758	0.4
179.03505	0.6
187.11261	2.0
189.09219	1.1
203.10780	0.4
205.12355	1.1
207.10258	17.3
208.10646	0.8
209.11707	0.5
223.13419	1.6
225.11375	0.9
267.12329	1.0
352.22073	0.4
369.15543	1.2
387.16586	100.0
388.16928	9.7
475.34207	1.0
549.27057	0.7
575.20886	0.5
575.28717	1.2
577.26617	3.1
619.27606	0.9
637.28607	74.5
638.28967	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	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	3.5
59.01385	69.3
61.98831	17.7
69.89888	4.6
69.90304	6.8
71.01382	4.4
72.99329	2.1
78.69560	1.9
80.05041	6.3
92.05048	2.6
98.19787	2.4
106.06648	17.1
115.30819	2.0
121.02990	3.4
122.06108	4.6
130.06596	2.8
132.04549	2.3
133.02945	5.9
134.05177	3.9
134.06133	51.2
135.04517	9.0
137.20493	2.1
152.07187	2.6
158.06145	2.5
161.02437	25.0
176.34732	2.3
179.03436	8.9
190.05090	2.5
197.06993	1.9
197.10849	4.4
223.08737	7.3
225.10284	6.7
227.11885	4.7
237.10297	5.6
239.11894	80.7
240.12213	7.2
241.13603	2.4
247.08740	8.7
249.10233	3.5
261.10443	2.7
263.11868	16.3
265.09760	3.8
273.10236	2.5
274.66620	2.0
275.08450	3.5
276.09033	2.3
279.11392	2.0
291.11356	19.1
305.09216	2.3
314.12872	3.8
315.13708	3.2
323.13995	37.4
326.12973	4.2
327.13748	3.0
328.14578	6.0
330.16113	52.7
331.16345	4.0
337.11935	6.2
338.13016	3.5
339.13754	2.5
340.14487	4.9
341.11603	4.5
341.15408	2.4
342.16229	4.9
352.10620	3.4
353.11508	3.9
354.12439	3.5
354.16150	41.1
355.12811	2.3
355.16550	6.2
356.13895	10.8
356.17862	7.0
366.12299	4.1
367.13474	3.0
368.13876	9.9
370.15710	4.3
382.15637	9.2
383.12115	3.2
394.11694	3.9
395.12619	4.0
396.13531	7.6
397.14014	4.3
398.15088	32.6
399.15393	5.0
410.15005	9.3
430.17706	7.4
445.16571	2.7
449.23676	12.8
450.23834	2.6
462.20178	4.7
475.21149	10.1
477.22858	16.2
483.16357	2.5
487.34143	4.3
488.18573	7.0
503.20865	64.0
504.21133	12.6
517.22803	4.6
537.25055	63.2
537.31476	1.5
538.25525	9.6
545.21936	51.6
546.22479	7.2
563.22986	45.9
564.23578	11.2
577.24719	43.6
578.24890	7.7
605.24060	100.0
606.24414	17.2
637.26624	87.8
638.27441	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	637.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	4.9
58.34458	1.4
59.01383	12.7
65.57502	1.6
70.02970	2.4
71.01383	16.9
71.64835	2.1
72.99325	4.2
73.02948	3.8
75.00875	5.9
82.02992	1.9
83.01367	7.4
85.02956	9.1
87.00868	16.3
87.47904	1.5
89.02444	4.1
91.05547	1.5
93.03452	6.7
95.01404	1.9
96.95995	2.2
99.00892	3.9
101.02441	4.4
103.00360	1.9
109.02950	12.3
111.00880	5.0
111.10615	1.5
113.02447	10.6
115.00375	24.9
119.05013	2.9
121.02916	2.0
121.06610	1.8
133.02948	4.4
133.33772	1.3
135.02998	1.9
135.04533	19.4
136.01595	1.9
137.02429	13.6
137.06096	1.6
139.00349	4.8
139.04048	1.3
145.02867	2.7
146.25481	1.4
147.04524	15.3
148.05147	3.1
149.06081	100.0
150.03229	2.7
150.06448	3.5
152.40157	1.3
156.00667	2.1
157.01430	6.5
159.04509	2.2
161.02469	10.2
161.06096	4.2
162.03128	1.4
163.04005	12.7
164.07173	30.2
165.05559	5.0
165.07529	7.6
171.04552	1.9
174.01686	5.4
174.03148	3.5
175.02469	48.2
175.03998	14.1
177.05544	4.5
179.03548	4.4
189.05605	10.1
190.06319	1.4
191.03455	2.2
193.03522	2.4
193.05080	18.0
201.05678	2.1
203.03499	3.6
206.06358	3.0
206.08211	44.8
207.02969	6.0
207.06615	6.3
207.08562	18.1
213.05565	3.1
215.03439	7.3
219.71568	1.5
221.04556	3.1
231.06635	5.9
233.04552	3.3
237.04036	40.2
249.07611	4.0
257.04474	2.1
275.05566	4.5
281.06693	12.6
285.04016	23.4
351.05753	20.4
383.07700	1.5
489.10010	2.0
519.11432	77.4
520.11780	11.6
557.13269	2.1
575.12073	1.6
577.11993	4.9
619.13757	2.2
637.10059	3.7
638.26270	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	637.1046
Annotation	Scutellarein 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
53.87173	0.6
55.01899	0.6
57.03461	1.8
57.89784	0.5
59.01385	10.0
67.01921	0.8
67.34746	0.5
69.87289	3.2
69.87634	0.8
71.01382	17.1
71.01754	1.2
72.99306	13.1
72.99721	0.8
73.02946	2.9
73.08781	0.6
74.95457	0.6
75.00876	6.9
83.01412	2.2
85.02953	17.9
87.00893	3.5
89.02457	2.9
95.01374	3.7
96.43225	0.5
98.19896	0.7
99.00883	6.5
101.02415	3.0
101.55087	0.6
103.00388	3.9
107.01385	1.9
113.02448	21.0
115.00399	2.5
117.01975	0.6
121.02965	0.7
129.01935	1.1
131.03517	2.1
131.96152	0.6
133.02948	8.2
149.02466	1.1
151.00354	4.3
151.70618	0.6
157.01425	1.3
175.02477	4.7
175.04022	2.6
193.03548	12.9
199.03998	2.5
201.02017	0.9
217.05099	1.0
235.04597	0.8
241.05043	0.7
281.46872	0.6
284.03235	0.8
285.04047	100.0
286.01468	0.9
286.04407	9.2
289.05560	0.8
297.04095	0.9
307.06763	0.8
327.05139	2.7
333.04694	1.7
351.05673	67.2
352.06015	3.9
357.06076	0.7
381.05698	1.0
618.97217	0.8
631.84827	0.8
637.10364	21.4
638.10889	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	637.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75162	1.1
52.14164	1.0
57.03448	4.2
59.01086	1.7
59.01381	23.5
67.50272	1.2
71.01386	25.1
71.66127	2.2
72.99311	23.4
73.02959	4.8
75.00865	9.0
83.01402	4.0
85.02956	23.9
86.03255	1.4
87.00871	6.1
89.02471	4.8
90.43908	1.2
93.03456	4.0
95.01379	6.5
96.96004	2.7
99.00859	8.6
101.02450	2.9
103.00368	5.7
109.02958	3.1
111.00847	1.3
113.02450	35.8
115.00373	3.2
117.01951	3.1
119.05044	4.4
129.01935	2.5
131.03499	3.2
133.01437	2.8
133.02988	5.3
145.98224	1.4
146.14377	1.5
147.04535	11.8
151.00378	2.6
159.04431	1.8
163.02638	1.5
163.04004	4.4
175.02481	8.6
175.03879	2.1
178.99838	2.0
193.03540	19.0
199.04033	2.1
215.03665	1.3
241.67538	1.2
268.03723	2.8
269.08325	2.6
279.05081	3.4
285.04053	91.1
286.04422	6.5
289.05716	2.9
290.59119	1.4
295.11896	1.3
313.07309	1.9
327.05087	3.1
333.04639	2.0
351.05664	100.0
352.06067	8.0
389.18311	1.7
499.73700	1.3
636.67560	1.4
637.10431	15.9
638.10651	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	636.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73512	0.8
56.22792	0.8
57.26151	0.7
58.02980	11.1
59.01385	6.4
69.54170	4.9
70.02974	4.8
71.01390	5.0
72.00917	3.6
72.99290	1.2
75.00895	2.2
82.02992	3.3
83.01385	2.4
85.02964	1.7
87.00881	5.3
88.97275	0.8
89.02486	1.2
91.05560	3.5
93.03454	2.5
98.19837	1.6
100.04013	1.2
101.92675	0.8
102.56667	0.8
109.02962	3.4
111.00888	1.8
113.02453	2.8
115.00379	6.4
133.02966	1.3
135.04523	7.2
136.89250	0.8
137.02455	4.3
139.00386	1.2
144.35634	0.8
145.02979	1.6
147.04530	22.6
148.05135	0.9
149.06088	29.9
150.03226	1.1
157.01437	1.7
159.04437	0.9
161.02422	3.3
161.06120	1.5
163.03996	2.8
164.07166	57.0
165.02074	0.9
165.05598	2.4
165.07545	1.3
174.01726	2.0
174.03160	1.1
175.02472	14.2
175.04030	4.5
179.03464	1.8
185.47044	1.2
189.05602	3.5
193.05090	6.6
206.08220	100.0
207.02977	2.4
207.06741	1.5
207.08549	5.4
215.03525	1.3
231.06612	2.7
233.04660	1.0
237.04053	11.6
248.09329	2.1
249.09761	2.0
250.07153	1.4
250.09744	1.3
275.05725	1.8
278.30820	1.1
281.06793	5.1
285.04190	5.7
295.00272	0.9
341.83334	0.9
351.05740	5.8
383.08640	0.9
519.11432	29.0
524.74493	1.1
539.12030	1.0
557.12683	1.0
577.12451	1.7
637.11755	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	635.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01727	0.7
70.70152	1.4
71.01401	2.0
79.88739	0.5
89.02442	3.1
96.21722	0.6
98.19923	0.7
101.02467	2.2
113.02486	0.7
119.03506	1.9
122.07438	0.6
152.29968	0.7
161.04588	0.7
168.75467	0.6
191.22577	0.7
237.95363	0.6
297.30475	0.7
457.60944	0.8
553.03369	0.6
586.69733	0.6
612.81970	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	636.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
61.98827	1.3
71.01373	3.9
71.63055	0.9
72.99329	0.8
74.31018	0.7
84.00912	1.3
85.02952	1.9
89.02437	1.8
93.03484	3.1
101.02437	2.5
109.02984	0.8
113.02464	1.1
117.03468	24.7
118.03777	1.3
119.03614	0.8
119.05034	15.1
121.02951	2.0
132.02176	1.4
133.03014	6.4
133.05338	48.1
134.03740	13.5
134.05898	1.2
135.04523	7.9
137.02434	1.2
145.02953	93.3
146.03271	4.6
149.06081	12.1
150.06409	0.8
159.04510	0.7
160.01646	8.6
160.04013	3.2
161.02443	95.6
161.06041	1.7
162.02762	3.7
163.04008	13.0
175.04010	8.1
205.05060	2.1
234.07724	3.6
252.07924	7.1
253.05327	0.7
295.08463	14.7
296.08914	0.7
307.08224	73.6
308.08694	4.4
310.10843	100.0
311.11166	9.5
328.11899	1.4
517.39557	0.7
542.16791	9.3
618.19788	59.1
619.20270	9.6
636.36121	8.6
637.30786	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	635.4167
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
52.48973	1.3
53.55782	1.5
58.00595	1.6
59.01379	15.6
61.98825	6.1
70.93357	3.2
71.01379	19.9
72.99321	1.8
77.80413	1.4
83.01339	1.8
87.64420	1.4
89.02436	25.4
91.18255	1.3
95.26302	1.4
101.02441	9.3
104.92805	12.0
113.02425	5.8
119.03503	3.6
131.03500	2.1
143.03456	3.4
161.04547	4.3
179.05606	16.5
262.75299	1.4
263.62332	1.5
278.91568	1.4
283.07373	1.4
386.07452	1.4
408.37711	1.6
455.35294	100.0
456.35724	13.8
495.38205	1.5
635.26196	5.3
636.26239	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	635.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.9
57.03450	3.6
58.00591	1.3
59.01384	21.8
61.98832	2.5
68.99818	0.6
69.03448	0.6
71.01385	59.2
71.05029	3.1
71.65793	0.6
72.01714	0.9
72.99308	3.4
73.02947	18.9
75.00865	0.9
83.01389	11.9
83.01868	0.8
83.05055	1.0
85.02953	28.6
86.03301	0.5
87.00885	2.6
89.02443	6.2
95.01389	4.1
96.95985	0.5
97.02955	1.4
99.00885	9.3
101.02447	73.0
101.43893	0.4
102.02804	1.1
106.66334	0.4
109.02961	0.5
113.02451	25.7
114.02824	0.6
119.03525	0.7
119.08612	0.4
121.02969	0.4
125.02459	2.2
129.01938	1.0
131.03511	0.6
133.02907	2.0
135.04541	2.7
137.02382	0.5
137.09686	0.5
143.03520	4.5
145.02927	0.7
149.02469	1.3
150.03244	0.4
155.10762	2.0
159.03000	7.6
160.77664	0.4
161.02585	5.5
161.04556	45.0
162.04900	1.2
163.03951	0.5
168.68892	0.4
176.25583	0.4
179.03485	1.8
179.05579	0.4
199.67163	0.3
205.03482	2.2
207.42384	0.4
233.15550	0.5
257.15601	0.6
267.06522	0.9
307.20590	0.8
311.05774	0.8
341.24615	0.6
351.05661	0.4
369.24454	0.6
391.26315	2.2
392.26846	0.4
407.29593	6.9
408.30005	0.9
409.27426	1.3
411.29153	0.8
423.28876	0.5
425.30701	6.2
426.30789	0.9
433.27289	0.8
439.28223	0.7
441.30115	3.0
442.31039	0.5
453.30093	10.5
454.30365	1.5
455.31647	0.7
457.29605	1.9
471.31085	1.0
473.32693	100.0
474.33051	13.0
635.37976	48.4
636.38251	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	635.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
56.83286	0.1
57.03444	1.8
58.00592	0.8
59.01379	10.7
60.01709	0.2
61.98830	0.6
69.03456	0.2
69.44655	0.4
69.45061	0.8
71.01383	23.4
71.05020	2.4
72.01707	0.4
72.99312	0.9
73.02947	7.6
75.00878	0.4
83.01385	4.5
83.05031	0.7
85.02952	11.6
87.00886	1.1
89.02448	2.7
95.01392	1.6
97.02951	0.5
97.06585	0.3
99.00893	2.6
101.02445	20.7
102.02805	0.3
111.04508	0.2
111.08171	0.5
113.02451	9.4
114.02735	0.3
119.03510	0.8
119.08663	0.2
125.02427	0.5
129.01945	0.4
131.03520	0.2
133.02998	0.3
137.09723	0.3
143.03497	1.2
147.08136	0.2
149.09702	0.3
155.10776	1.7
159.02994	2.7
161.02406	0.6
161.04555	14.4
161.09775	0.2
162.04904	0.5
179.03557	0.2
205.03491	0.4
218.13078	0.4
219.14052	0.2
223.14946	0.2
233.15398	0.3
250.12071	0.2
257.15533	0.4
293.19293	0.3
303.21063	0.2
307.20477	0.4
323.23618	0.5
335.23868	0.4
353.20969	0.3
369.24164	0.2
389.28418	0.4
391.26410	1.4
392.26712	0.3
393.27924	0.3
395.29776	0.2
407.25018	0.2
407.29504	4.8
408.29932	0.6
409.27438	0.5
411.28891	0.6
423.28860	0.5
425.30603	1.7
433.27313	0.5
435.29022	0.4
437.26636	0.4
441.30576	0.4
443.31348	0.2
453.30106	7.7
454.30472	1.2
455.31561	0.6
457.29602	2.0
458.29749	0.2
471.31152	0.7
473.32697	100.0
474.33035	14.7
635.37988	66.2
636.38336	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	635.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	79.6
68.81112	0.5
69.29031	3.7
69.29453	1.7
71.01385	0.9
72.99319	0.5
73.02965	1.3
80.77586	0.5
82.51402	0.4
98.19827	0.9
102.31620	0.5
115.59695	0.5
116.92122	0.5
117.03487	2.1
119.05025	17.3
119.08662	1.1
135.04504	2.5
145.02962	10.7
146.03273	0.6
161.02443	1.3
163.04008	11.5
179.03432	0.8
181.05002	0.7
181.10320	0.6
232.75214	0.5
261.73413	0.6
307.08228	3.2
369.21915	0.9
369.25891	3.5
371.23669	0.7
383.23907	0.9
385.26108	0.6
387.26892	2.0
388.27374	0.7
389.25311	0.7
393.28241	0.6
401.24957	1.9
403.26743	0.8
405.27896	5.1
411.29327	0.7
419.25891	1.6
423.29037	3.8
424.29276	0.9
437.27020	1.6
449.26913	1.6
455.27921	0.7
459.99811	0.5
467.27890	6.5
468.27603	0.6
471.12869	9.7
472.13208	1.7
485.29037	5.9
486.29504	1.2
503.33511	1.6
509.29187	1.0
575.32233	100.0
576.32550	18.1
591.33893	2.5
592.34283	0.9
635.17096	1.6
636.18561	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	635.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36232	0.4
55.97147	0.4
59.01381	46.1
60.01710	0.7
69.03453	0.7
69.33305	2.3
69.33726	1.5
71.04991	0.6
72.86559	0.4
72.99290	0.6
73.02947	0.6
83.98399	0.4
84.99434	0.4
119.05118	0.4
126.42374	0.5
135.04518	2.1
135.08157	0.4
161.02461	0.7
168.10681	0.4
175.11159	0.5
179.03503	0.8
191.90244	0.4
197.04442	0.5
221.13455	0.6
248.59286	0.4
266.26575	0.5
278.05701	0.5
373.25311	1.5
386.74857	0.5
387.22882	0.6
387.27100	1.0
391.26413	0.9
403.26443	5.1
404.26868	0.8
405.27936	1.5
409.27585	1.0
419.25995	1.0
421.27515	4.3
423.28983	2.3
437.26904	1.4
455.28033	0.5
455.58511	0.4
467.28088	0.8
485.29129	3.5
486.29465	0.6
525.28467	2.4
575.32233	100.0
576.32574	16.1
591.33112	0.8
635.38983	0.8
636.44165	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	635.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.5
58.00581	1.3
59.01379	37.9
61.98833	1.4
71.01390	12.4
71.62796	2.0
72.99318	3.0
73.02928	1.7
73.12371	1.3
83.01389	1.4
83.05003	3.1
85.02946	5.0
87.00876	5.7
89.02441	5.0
96.96004	2.2
97.06593	3.2
99.00848	1.3
100.47865	1.1
101.02442	6.7
107.05016	10.4
109.02936	2.8
113.02475	5.9
119.03523	2.3
119.05000	1.9
120.05777	3.8
133.02951	3.0
135.03691	1.4
135.04526	12.5
137.02429	2.9
145.02943	3.7
147.08144	1.5
151.07599	1.7
152.04793	2.7
152.08369	2.7
153.09187	10.5
161.02452	9.9
161.04553	1.6
161.09720	18.5
161.13307	7.6
163.04001	2.7
163.11285	3.2
175.03934	1.7
179.03513	5.3
187.11287	20.7
189.09233	11.8
193.05045	1.7
197.04485	2.0
203.10735	2.8
205.10486	1.7
205.12346	18.7
207.10248	5.4
223.13422	7.3
231.10364	2.2
249.11305	13.4
267.12299	5.0
269.80258	1.3
280.08054	1.3
301.48959	1.4
316.04633	1.3
323.07623	1.9
339.05161	1.6
340.05322	2.0
341.05847	1.4
369.15408	1.5
385.18738	2.1
429.17596	2.4
433.60712	1.3
525.14172	1.6
617.29773	3.0
635.30652	100.0
636.31097	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	635.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.1
57.03450	3.6
59.01379	75.7
61.98830	6.9
61.99110	1.2
63.16255	1.2
69.74036	7.0
71.01378	15.0
72.99310	5.6
73.02939	1.2
75.00875	1.7
81.19568	1.1
83.01393	2.3
83.05021	3.5
85.02950	4.0
87.00875	10.2
89.02449	8.2
93.03444	2.6
95.01359	1.4
96.95985	2.5
97.06580	5.3
99.00878	1.1
101.02433	8.2
107.05031	13.2
109.02958	3.6
109.06591	1.3
110.46745	1.1
113.02482	5.8
113.98128	1.2
116.92878	2.5
119.03514	1.9
119.05032	6.2
120.05804	4.3
122.75377	1.1
123.04546	1.6
126.90510	1.3
129.07187	1.3
133.02963	6.6
134.03734	2.3
135.04533	22.1
136.04924	1.4
137.02423	3.5
145.02953	7.2
146.07378	1.1
147.04546	3.2
149.06007	1.2
152.04774	2.6
157.06560	1.4
159.08156	1.5
159.11740	2.3
161.02426	14.0
161.04562	1.9
161.09706	21.4
161.13322	9.5
162.02826	1.4
162.09972	1.6
163.04012	4.1
163.11320	5.2
178.02734	1.7
179.03494	5.7
179.05626	1.2
185.13354	3.1
187.11288	29.8
188.11623	1.7
189.09215	13.9
190.09486	1.5
197.04485	2.2
203.10765	8.0
205.12296	14.7
207.10283	4.1
209.11679	1.5
223.13402	26.0
225.11423	1.3
229.12349	2.4
231.10384	2.4
247.13393	1.5
249.11293	18.8
267.06506	2.3
267.12350	24.5
291.12222	1.6
309.13428	2.0
323.07617	1.6
339.04950	2.0
339.14420	5.5
340.05408	1.6
351.05609	1.5
369.15485	25.1
370.15781	2.2
388.77789	1.2
429.17670	28.7
430.18192	2.8
591.33160	2.5
617.29608	3.4
635.30707	100.0
636.31030	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	635.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83314	0.9
55.66831	0.8
56.80949	0.9
58.00623	0.8
59.01382	100.0
69.69579	5.7
71.01386	27.7
72.99312	1.2
73.02943	11.0
75.00874	1.3
83.01388	4.0
85.02957	8.2
85.06593	2.6
87.00897	2.1
89.02447	14.0
90.20512	0.9
95.01398	3.1
96.96005	1.7
97.06594	3.8
99.00912	1.4
101.02451	15.8
109.02901	1.0
109.06612	3.3
113.02454	15.3
119.03523	5.9
119.04985	1.3
125.02440	1.0
127.07661	1.3
131.07152	10.4
135.02997	2.0
135.04533	22.0
136.04906	1.4
143.03502	2.0
149.04530	1.2
161.02490	1.2
161.04562	9.3
163.04019	2.5
167.10747	1.3
176.16757	0.8
179.03513	22.0
179.05611	3.1
208.51741	0.9
232.48332	0.8
281.06680	1.2
293.12421	29.1
294.12701	1.6
311.14789	1.9
329.15970	1.6
337.03091	0.9
340.50299	0.8
341.08743	18.3
342.09149	1.5
421.22403	3.2
439.23346	42.1
440.23700	4.0
457.24478	9.8
471.25504	1.4
481.24051	0.9
494.33710	0.9
495.25879	2.4
499.25464	20.1
500.25934	2.3
513.27478	3.9
531.27966	3.0
555.28033	2.3
573.29150	2.2
591.30078	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	635.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.1
57.03450	3.6
59.01379	75.7
61.98830	6.9
61.99110	1.2
63.16255	1.2
69.74036	7.0
71.01378	15.0
72.99310	5.6
73.02939	1.2
75.00875	1.7
81.19568	1.1
83.01393	2.3
83.05021	3.5
85.02950	4.0
87.00875	10.2
89.02449	8.2
93.03444	2.6
95.01359	1.4
96.95985	2.5
97.06580	5.3
99.00878	1.1
101.02433	8.2
107.05031	13.2
109.02958	3.6
109.06591	1.3
110.46745	1.1
113.02482	5.8
113.98128	1.2
116.92878	2.5
119.03514	1.9
119.05032	6.2
120.05804	4.3
122.75377	1.1
123.04546	1.6
126.90510	1.3
129.07187	1.3
133.02963	6.6
134.03734	2.3
135.04533	22.1
136.04924	1.4
137.02423	3.5
145.02953	7.2
146.07378	1.1
147.04546	3.2
149.06007	1.2
152.04774	2.6
157.06560	1.4
159.08156	1.5
159.11740	2.3
161.02426	14.0
161.04562	1.9
161.09706	21.4
161.13322	9.5
162.02826	1.4
162.09972	1.6
163.04012	4.1
163.11320	5.2
178.02734	1.7
179.03494	5.7
179.05626	1.2
185.13354	3.1
187.11288	29.8
188.11623	1.7
189.09215	13.9
190.09486	1.5
197.04485	2.2
203.10765	8.0
205.12296	14.7
207.10283	4.1
209.11679	1.5
223.13402	26.0
225.11423	1.3
229.12349	2.4
231.10384	2.4
247.13393	1.5
249.11293	18.8
267.06506	2.3
267.12350	24.5
291.12222	1.6
309.13428	2.0
323.07617	1.6
339.04950	2.0
339.14420	5.5
340.05408	1.6
351.05609	1.5
369.15485	25.1
370.15781	2.2
388.77789	1.2
429.17670	28.7
430.18192	2.8
591.33160	2.5
617.29608	3.4
635.30707	100.0
636.31030	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	635.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
59.01381	8.5
65.03952	0.6
65.37857	0.6
69.42421	5.1
71.01389	4.8
72.99317	0.6
73.02959	0.9
76.15116	0.6
85.02959	2.0
89.02429	3.8
93.03460	43.6
98.20575	1.1
101.02465	3.1
111.08160	5.5
113.02437	2.0
116.92887	0.7
119.03519	2.1
125.02483	0.7
137.02448	100.0
138.02756	3.4
141.40758	0.6
152.76979	0.6
155.07155	7.0
161.04587	1.5
163.03818	0.7
179.05611	3.5
197.04547	1.0
245.06543	0.8
246.79227	0.6
279.84967	0.7
299.07718	15.1
300.08041	1.3
335.13290	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	635.251
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.48404	1.0
60.11397	1.0
61.98819	3.4
62.84544	0.9
68.44884	0.9
70.56065	3.1
78.95905	1.7
93.45337	0.9
98.20547	1.0
118.69046	1.0
360.20270	1.0
415.15747	1.4
419.18903	1.1
431.18884	3.3
433.20609	1.9
445.16562	3.6
458.17590	3.8
459.14166	1.5
473.15884	3.5
473.20480	3.1
474.16592	8.3
475.17606	4.4
486.20404	1.3
487.17224	1.2
488.18384	7.7
489.19263	6.6
490.19958	4.3
491.20401	1.1
502.20203	1.3
505.22372	3.9
516.17926	1.6
517.17242	1.4
529.18866	1.2
549.21570	2.2
559.23273	1.7
561.21387	1.2
575.22961	18.0
575.31433	1.6
576.23590	7.7
603.22760	1.7
635.25134	100.0
636.25482	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	635.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83314	0.9
55.66831	0.8
56.80949	0.9
58.00623	0.8
59.01382	100.0
69.69579	5.7
71.01386	27.7
72.99312	1.2
73.02943	11.0
75.00874	1.3
83.01388	4.0
85.02957	8.2
85.06593	2.6
87.00897	2.1
89.02447	14.0
90.20512	0.9
95.01398	3.1
96.96005	1.7
97.06594	3.8
99.00912	1.4
101.02451	15.8
109.02901	1.0
109.06612	3.3
113.02454	15.3
119.03523	5.9
119.04985	1.3
125.02440	1.0
127.07661	1.3
131.07152	10.4
135.02997	2.0
135.04533	22.0
136.04906	1.4
143.03502	2.0
149.04530	1.2
161.02490	1.2
161.04562	9.3
163.04019	2.5
167.10747	1.3
176.16757	0.8
179.03513	22.0
179.05611	3.1
208.51741	0.9
232.48332	0.8
281.06680	1.2
293.12421	29.1
294.12701	1.6
311.14789	1.9
329.15970	1.6
337.03091	0.9
340.50299	0.8
341.08743	18.3
342.09149	1.5
421.22403	3.2
439.23346	42.1
440.23700	4.0
457.24478	9.8
471.25504	1.4
481.24051	0.9
494.33710	0.9
495.25879	2.4
499.25464	20.1
500.25934	2.3
513.27478	3.9
531.27966	3.0
555.28033	2.3
573.29150	2.2
591.30078	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	635.1257
Annotation	Acacetin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
55.01875	0.9
57.03449	2.9
58.00598	0.5
59.01381	17.8
61.98807	0.5
67.01887	0.7
68.99828	0.7
69.03452	0.9
69.41508	1.9
69.41912	0.4
71.01383	31.4
72.01729	0.8
72.99310	23.5
73.02951	4.3
73.86510	0.3
75.00874	12.8
83.01384	4.1
84.02180	0.6
85.02953	29.0
86.03293	0.5
87.00876	6.5
89.02441	6.0
89.55797	0.3
89.77881	0.3
95.01387	6.8
96.96014	0.5
97.02946	0.8
98.09823	0.3
99.00235	0.6
99.00883	11.7
99.04517	0.4
101.02447	4.3
103.00375	8.2
109.02943	0.4
111.00897	0.9
113.02452	41.7
114.02788	0.9
115.00362	3.3
115.63071	0.3
117.01941	2.3
119.03477	0.3
119.05038	0.8
121.02957	0.9
129.01968	2.2
131.02605	0.4
131.03505	3.6
133.01454	2.0
134.90607	0.2
135.04543	0.7
137.02405	0.3
138.92459	0.3
139.00343	0.6
143.03560	0.3
145.02921	0.4
149.04608	0.3
157.01422	1.9
159.03111	0.3
161.02463	0.7
161.33784	0.3
163.02509	0.7
163.03963	0.6
175.00943	0.6
175.02472	11.4
176.02821	0.4
193.03531	24.5
194.03931	0.6
207.13914	0.5
223.06178	0.4
225.11436	0.3
235.04535	1.7
251.12898	1.3
268.00854	0.6
268.03769	8.6
269.04135	0.7
275.04147	0.3
277.05685	0.3
282.05243	0.5
283.06131	6.2
284.06366	0.7
289.05658	4.0
307.06702	0.9
325.07172	1.2
333.04614	2.3
339.08762	0.8
351.05670	100.0
352.06030	6.9
354.11026	0.3
364.11713	0.2
369.13495	1.3
373.05368	0.3
431.18997	0.7
455.19455	0.3
501.10455	0.8
635.12640	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	635.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01405	0.2
54.56607	0.2
57.03430	0.3
59.01086	0.4
59.01381	5.3
62.84022	0.2
63.02384	1.5
65.00327	0.9
65.34457	0.2
71.01384	2.9
71.66409	0.3
72.01689	0.3
72.99303	1.1
73.02950	1.5
75.00870	2.0
83.01367	0.7
85.02950	1.8
87.00877	1.0
87.55676	0.3
89.00328	0.3
89.02430	0.7
90.30443	0.2
93.03470	0.5
95.01367	0.6
99.00884	0.9
99.49789	0.3
101.02469	1.7
107.01399	1.7
111.00883	0.6
113.02460	2.8
117.03443	3.7
135.04501	1.8
145.02936	0.4
149.02419	0.9
151.00377	0.5
159.04541	1.3
161.02463	1.6
161.04549	0.5
169.06581	0.5
175.02385	0.4
179.03522	0.8
181.06615	0.3
183.04477	0.6
184.21156	0.3
193.03522	1.1
197.06078	0.9
201.05573	0.7
215.78343	0.3
223.06001	0.7
224.04604	0.3
225.05542	1.5
268.03781	1.9
269.04541	100.0
270.04858	7.4
326.37292	0.3
338.18790	0.3
351.05600	1.7
365.07162	0.6
366.11020	0.3
436.81140	0.3
459.09372	0.8
473.23831	2.1
531.58606	0.3
634.34552	0.6
635.12561	7.2
635.34674	1.0
636.13129	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	635.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46404	0.2
59.01387	1.9
61.98834	0.7
68.74249	0.2
69.41763	1.9
71.01382	0.9
72.99310	40.5
73.02970	0.3
73.99669	0.3
81.13888	0.2
83.01379	0.3
84.86524	0.2
85.02957	0.6
89.03931	0.2
91.05531	0.3
95.01379	0.3
96.96004	0.3
101.02436	0.9
106.17625	0.2
107.05059	1.4
108.02184	0.3
109.02952	1.4
113.02435	0.4
117.03462	2.2
119.05035	1.7
121.02980	0.6
122.03761	0.3
123.04532	12.7
124.04865	0.6
133.02939	0.6
134.03760	3.3
135.04530	100.0
136.04861	3.4
137.02432	0.3
145.02959	4.2
147.04539	2.0
149.02527	0.3
149.26907	0.2
151.04030	2.2
159.04562	0.3
161.02443	1.3
163.03975	1.0
179.03500	29.3
180.03894	1.4
197.04547	42.5
198.04883	1.7
239.05603	1.1
267.06476	0.3
281.06708	0.4
341.08783	1.9
343.08054	0.5
427.13882	2.4
428.14523	0.3
471.12756	2.1
473.32349	0.4
489.14029	83.4
490.07254	0.5
490.14417	10.3
552.49304	0.3
575.87567	0.4
617.07257	0.3
635.17786	0.8
635.38361	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	634.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98822	0.5
65.01871	0.2
71.62914	0.4
73.02948	4.6
75.00882	0.3
90.86398	0.3
91.10587	0.2
97.59092	0.2
99.00894	0.7
99.92585	8.1
99.93237	0.5
116.92861	100.0
116.97229	2.2
117.01938	9.4
117.92867	4.7
161.02631	0.2
194.62885	0.3
251.05664	0.3
260.86813	0.2
277.21722	0.3
376.03467	0.3
502.29337	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	634.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
61.98833	100.0
70.36288	0.7
71.01389	0.3
80.96492	0.4
117.03490	1.0
118.67602	0.3
119.05041	0.6
130.92795	0.2
131.15128	0.2
145.02977	2.9
146.03329	0.6
161.02435	0.6
163.04150	0.3
181.43990	0.2
197.88875	0.3
218.37236	0.2
280.86032	0.2
485.32968	0.3
487.34320	4.3
488.34222	0.5
527.33813	8.0
528.33984	1.5
549.23822	0.7
634.28632	0.4
634.38446	3.1
635.38849	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	635.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
58.39064	0.2
59.01388	1.4
63.02390	2.1
65.00343	0.7
68.99815	0.6
69.74096	1.3
71.01386	3.6
72.99313	2.8
75.00863	0.4
83.01382	1.1
85.02956	1.8
87.00884	0.4
89.02473	0.7
93.03474	0.4
95.01405	1.0
96.96002	1.7
99.00872	1.3
101.02430	0.3
103.00352	0.2
107.01410	1.5
107.74406	0.2
107.99277	0.2
109.03006	0.3
111.00865	0.5
113.02448	2.7
115.00380	1.1
117.02030	0.2
117.03471	4.3
121.02961	0.5
125.98502	0.2
129.01953	0.7
133.01418	0.5
133.03020	0.3
135.04543	1.0
137.02405	0.4
138.32393	0.2
139.00421	0.3
148.01649	0.2
149.02403	1.2
151.00401	0.7
157.01398	0.4
157.06497	0.2
159.04520	1.5
161.02441	1.4
163.04054	0.4
167.04884	0.2
169.06679	0.4
171.02998	0.3
175.02592	0.4
179.03474	0.4
180.05844	0.2
181.06592	0.4
183.04497	0.6
196.05261	0.3
196.50993	0.2
197.06075	0.9
199.04018	0.3
201.05627	0.6
203.03479	0.2
224.04698	0.3
225.05510	1.0
227.03532	0.5
241.05011	0.2
241.66159	0.2
257.63400	0.2
268.03766	1.7
269.04544	100.0
270.04892	7.2
281.04663	0.7
283.06107	0.3
308.81879	0.2
311.05646	0.5
347.06116	0.9
353.06995	0.2
365.07272	4.9
366.07883	0.3
427.06705	1.1
513.11053	0.4
573.12421	0.5
591.34613	0.3
635.12457	2.9
635.35596	0.3
636.12506	0.5
636.36304	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	633.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61972	0.9
59.01385	8.2
61.11055	1.0
61.98838	8.3
68.91374	1.1
71.01387	1.3
71.64019	1.1
78.95899	1.2
83.05011	1.9
88.10381	1.0
89.02438	1.0
101.02449	1.2
135.04515	2.0
136.49638	1.0
145.02937	4.7
147.02992	2.0
161.02477	1.8
257.08231	1.7
411.29532	1.1
467.31442	6.1
485.32733	100.0
486.33221	15.2
633.28571	2.8
633.38580	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	633.3796
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.05034	0.7
57.53566	0.6
59.01378	0.9
61.98833	1.8
71.05025	1.0
71.65926	0.7
72.43916	0.6
83.77341	0.6
89.03898	0.7
117.03468	30.7
118.03833	0.8
119.05035	14.9
119.12585	0.6
121.02970	1.6
121.25623	0.6
123.04548	0.7
133.02914	1.1
134.38499	0.6
145.02959	100.0
146.03279	3.2
161.02472	1.0
162.03198	0.7
162.83937	0.8
163.03990	2.0
171.10246	0.8
187.86586	0.6
212.44298	0.6
368.76550	0.6
469.33127	1.3
471.34671	2.3
472.34686	0.8
482.88654	0.7
513.32465	1.1
589.38934	1.8
597.21515	1.3
633.37946	91.5
634.38300	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	633.3798
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
64.26534	0.6
68.32764	0.4
69.64278	1.9
69.64683	1.2
71.97895	0.5
75.71468	0.5
78.12398	0.5
78.95910	1.2
81.52220	0.5
89.54301	0.5
117.03486	0.6
117.10145	0.4
127.45657	0.5
132.02194	1.9
133.02963	26.2
134.03737	1.6
135.04529	9.3
136.04840	0.5
137.02466	1.8
139.04065	0.5
145.02951	0.7
146.96571	0.6
161.02452	83.2
162.02791	2.9
168.28873	0.4
173.93611	0.5
178.02768	1.1
179.03514	1.6
192.65990	0.5
282.72232	0.5
319.93542	0.5
330.68848	0.5
348.61365	0.5
428.78577	0.5
471.34857	0.8
497.32971	0.6
633.37939	100.0
634.38318	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	633.4005
Annotation	Kolokoside B
Peak:m/z	Relative Intensity
59.01389	2.0
61.62273	0.9
61.98829	4.0
68.29438	0.7
71.01378	2.3
71.66272	1.1
72.61022	0.8
73.02962	1.8
75.14104	0.9
85.02950	0.9
97.65235	0.7
101.02448	13.5
113.02454	2.9
117.03470	2.4
119.05019	1.5
127.18290	0.7
131.03488	1.1
139.88420	0.8
145.02943	6.7
160.84201	3.1
161.04564	3.1
162.83919	6.4
163.03983	1.2
174.06216	0.8
279.40686	0.8
306.68353	0.9
375.07901	0.8
432.18808	0.9
471.34775	100.0
472.35071	14.9
633.19208	1.8
633.38000	9.0
634.18579	3.1
634.38519	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	633.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83815	3.0
57.39587	3.3
59.01379	5.8
61.98823	7.5
62.56350	3.3
71.48566	4.2
71.48915	3.9
75.41686	2.8
78.95869	4.5
90.25829	3.1
99.92566	10.0
103.55623	3.0
113.13599	3.2
116.92057	5.6
116.92865	100.0
117.92860	5.3
119.05035	4.2
135.04477	2.9
142.76125	2.9
145.02945	10.2
149.02432	4.2
152.99590	6.9
260.06348	3.4
342.06021	3.6
471.84998	3.3
524.04407	3.5
633.38220	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	633.3635
Annotation	Unnarmicin A
Peak:m/z	Relative Intensity
52.63478	0.3
55.01879	1.8
55.05693	0.3
57.03451	2.3
58.00605	0.6
59.01379	12.4
59.68016	0.3
61.98836	0.9
62.65687	0.2
67.02988	0.2
69.03466	0.6
71.01382	25.0
71.05038	0.6
72.01720	0.4
72.99331	1.0
73.02950	8.2
75.00879	0.6
75.94006	0.2
83.01381	4.3
83.01855	0.3
83.05050	1.2
85.02949	13.2
87.00879	1.7
89.02438	3.5
91.02850	0.3
95.01369	1.9
97.02966	0.6
97.06602	0.8
98.20662	0.3
99.00877	3.3
101.02444	22.3
102.02784	0.3
113.02449	10.0
113.03220	0.6
119.03558	0.8
119.05048	0.4
119.08681	0.4
125.02453	0.6
129.01955	0.7
135.04541	0.5
143.03513	1.2
145.02957	0.6
159.02998	2.9
161.02438	0.8
161.04555	15.1
162.02803	0.3
162.04834	0.5
165.09186	0.4
179.03505	0.4
183.13298	0.3
205.03487	0.7
215.98064	0.3
231.13966	0.6
309.22214	0.3
319.20685	0.8
321.22156	0.5
335.23856	0.3
339.23215	1.0
361.25467	1.1
367.22769	0.7
371.22321	0.4
375.25510	1.4
385.23911	1.2
387.25546	1.2
389.24814	2.9
399.25305	0.5
401.26996	0.7
405.28027	2.8
406.28061	0.6
419.24399	5.3
420.24524	0.4
423.29172	1.0
425.26825	0.5
427.28510	3.6
428.28622	0.5
431.25772	0.5
433.27371	1.4
435.25296	1.2
451.28546	4.3
452.28406	0.3
453.30090	1.2
455.28036	10.0
456.28305	1.2
469.29599	0.8
471.31128	100.0
472.31409	14.3
476.03888	0.3
633.36401	73.5
634.36768	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	633.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
57.91537	0.7
59.01385	18.1
61.98830	1.1
68.99831	5.8
69.39004	5.7
71.01378	5.1
72.99303	1.1
73.02952	6.3
75.00879	2.7
83.01387	1.1
85.02955	1.9
87.00875	4.3
91.97703	0.6
93.03478	1.6
95.01417	0.8
98.20647	1.4
99.00874	2.1
101.02428	5.3
101.46170	0.6
104.79559	0.7
111.00874	4.5
113.02457	1.6
115.05535	1.9
117.03470	24.6
118.03781	1.0
119.05032	74.7
120.05344	2.9
121.02960	1.4
129.01945	6.3
135.04480	0.8
141.01949	0.8
143.05032	29.9
144.05385	1.5
145.02959	70.5
146.03311	2.5
148.05373	1.2
159.03001	22.7
161.02464	0.9
161.06152	1.3
163.04010	100.0
164.04356	3.8
187.04005	73.0
188.04350	3.4
425.19412	0.8
473.32770	6.4
485.21835	12.1
486.22519	1.7
503.22906	2.5
504.23215	0.8
545.23932	23.3
546.24390	4.1
624.80164	0.9
633.39838	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	633.1822
Annotation	Lapathoside D
Peak:m/z	Relative Intensity
59.01374	2.6
70.27227	1.4
70.27616	1.7
71.01381	4.8
73.02948	1.6
80.51194	0.8
85.02952	2.8
87.00874	1.0
93.03467	1.4
95.01369	0.7
101.02443	2.9
113.02453	4.8
115.54333	0.7
116.92912	0.9
117.03465	19.8
118.93863	0.6
119.05027	97.5
120.05352	3.9
121.02964	2.3
123.04426	0.9
132.05809	2.0
133.06592	8.8
135.04533	1.0
136.04814	0.8
145.02950	93.0
146.03282	3.6
147.04521	0.9
154.92667	0.6
159.04428	0.6
161.02441	1.7
161.04735	1.0
161.06068	20.2
162.03192	0.9
162.70265	0.7
163.04008	91.8
164.04335	3.2
165.39253	0.6
175.03979	0.8
177.05579	1.3
187.03969	1.9
205.03207	1.4
205.05057	16.7
206.05344	0.9
217.05078	2.1
245.38718	0.7
307.08212	34.7
308.08463	2.7
347.60916	0.8
469.65036	0.8
471.12930	100.0
472.13235	12.5
513.14020	8.3
525.13824	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	633.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.0
60.02488	1.0
61.98834	3.3
69.81197	5.8
71.01386	8.7
72.37920	1.1
72.99313	2.1
73.02942	2.6
83.01393	1.6
85.02966	3.2
87.00908	2.1
89.02422	2.1
93.03487	3.1
96.17873	1.1
96.96018	6.7
101.02454	6.9
108.02196	1.3
109.02932	2.4
113.02427	6.4
116.92863	1.4
117.03476	20.9
119.05030	89.4
120.05350	3.7
121.02963	2.8
123.04509	1.5
125.02480	1.2
127.00364	1.2
132.05768	2.0
133.02969	3.3
133.06606	8.4
135.04547	9.8
137.02438	2.2
145.02957	96.6
146.03305	3.4
147.04538	1.9
152.01192	1.3
161.02458	8.1
161.04703	1.6
161.06085	17.4
163.04008	88.1
164.04416	3.7
175.02466	1.2
177.05502	1.3
179.03500	3.1
187.04033	3.2
197.04634	2.2
202.32967	1.3
203.03519	1.4
205.05060	13.7
212.03264	1.5
217.04996	1.6
235.06010	1.2
255.64214	1.1
307.08185	32.5
308.08710	1.8
341.10876	1.4
385.22379	4.9
394.10886	1.1
471.12952	100.0
472.13351	14.0
513.14105	9.5
514.14154	2.0
525.13898	1.7
634.33960	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	632.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43704	0.4
59.01382	3.9
61.48430	0.3
61.98831	100.0
71.65849	0.6
77.34656	0.4
78.93117	0.4
119.92105	0.3
133.02937	0.5
134.31250	0.4
152.07692	0.4
161.02478	1.1
162.89268	0.4
194.63484	0.4
471.34753	0.9
485.32925	0.5
525.32220	12.2
525.39795	0.7
526.32819	1.6
596.17603	0.5
633.39539	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	633.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42118	0.3
59.01367	1.4
61.98820	0.5
71.01367	0.6
71.62856	0.5
72.99311	2.7
93.03436	0.5
96.95992	1.8
98.95624	0.6
99.92590	2.4
108.02167	1.2
109.02959	14.1
115.92051	1.8
116.92857	3.5
117.03470	1.0
119.05019	0.9
121.02964	1.9
123.04529	0.4
124.37163	0.3
129.03479	1.2
131.05032	0.7
133.02957	1.4
135.04500	2.3
137.02405	1.8
142.28658	0.4
145.02953	7.5
146.03688	1.2
147.04529	10.7
148.04883	0.5
149.26915	0.3
151.04019	0.4
157.02934	5.8
158.03758	0.8
159.03204	0.4
159.04532	7.6
160.04767	0.5
161.02437	3.3
163.04025	1.7
172.05302	0.5
173.02420	2.9
173.06050	0.4
174.03206	1.1
175.04015	2.6
175.07545	0.4
179.01994	0.4
179.03523	1.0
185.02458	4.6
186.03191	0.5
187.04022	0.6
187.07651	2.2
190.06479	0.5
193.06612	1.0
195.08125	0.5
197.06102	1.0
199.07597	0.4
201.01967	1.2
202.06296	0.4
203.03474	1.1
209.06021	0.5
211.04079	0.4
211.07686	1.0
212.07756	0.4
219.10309	0.9
220.05292	0.6
221.06073	2.6
224.04753	1.0
225.05563	0.9
229.01410	28.0
230.01860	1.6
231.10262	1.1
232.05251	0.6
233.06024	0.5
237.05519	1.1
238.06422	0.8
239.03328	0.6
239.07121	2.7
248.04820	1.1
249.05591	6.5
250.06326	2.8
251.07072	0.8
253.04993	1.0
254.59105	0.3
265.05106	1.5
266.05768	2.0
267.06592	17.0
268.06985	1.5
269.08176	5.1
276.04263	0.7
277.05048	9.0
278.05688	2.2
280.03720	0.7
293.04556	4.2
293.10239	1.3
294.05325	2.8
295.06097	16.0
296.06470	1.5
311.05408	0.4
313.07208	1.6
339.05075	100.0
340.05399	9.1
357.06171	1.4
423.79630	0.4
590.47284	0.4
597.10449	0.5
615.11426	0.5
631.27826	0.5
632.06372	0.4
633.12939	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	631.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
57.03441	1.8
59.01380	28.1
61.98823	2.6
68.99800	1.0
69.03457	1.1
71.01383	10.8
71.62843	0.7
72.99314	1.4
73.02947	6.5
81.03468	0.5
83.01403	4.3
84.24072	0.4
85.02954	15.2
86.94202	0.4
87.00858	0.5
88.98798	0.6
94.71565	0.4
97.02944	3.2
99.00903	0.6
99.04537	0.9
100.24014	0.4
101.02444	31.7
109.02956	0.5
113.02450	32.8
113.65401	0.4
114.02822	0.7
123.04510	0.6
125.02438	7.9
126.02724	0.5
126.90533	0.9
127.00324	1.0
133.02957	1.1
135.04524	1.8
137.02451	0.5
143.03511	6.6
145.02895	0.5
161.02438	2.6
179.03568	0.6
185.02327	0.5
311.05557	0.5
311.22650	0.4
405.28073	0.5
421.31070	1.0
435.32700	1.9
436.32932	0.6
487.34280	100.0
488.34583	15.2
501.35666	2.5
502.36478	0.7
529.35547	4.8
530.36169	1.0
543.37012	1.0
571.36322	1.3
583.36536	3.8
601.37250	1.0
631.38251	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	631.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98540	0.2
75.36319	0.2
75.48766	0.1
93.19525	0.2
98.19830	0.3
106.11851	0.2
118.53881	0.1
164.35231	0.2
229.31992	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	631.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98832	2.3
71.01382	7.6
73.02937	3.0
85.02944	3.4
96.95979	1.5
97.06544	1.5
97.56836	1.4
101.02429	5.5
105.22504	1.4
113.02424	3.3
121.02970	1.4
141.05553	2.1
143.10777	1.7
160.54721	1.5
161.04538	3.1
195.10228	8.6
239.09238	37.9
240.09625	2.2
287.14886	1.7
305.15848	6.3
347.17035	9.2
640.31641	1.6
656.19739	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	631.3653
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
55.01866	0.4
59.01368	0.8
61.21181	0.4
61.98827	1.2
71.01390	0.6
72.99301	0.8
83.05029	5.3
83.60667	0.4
98.19846	1.1
101.02407	0.5
116.92850	0.7
117.03467	34.1
118.03787	1.0
119.05027	14.0
120.05389	0.5
121.02975	1.9
123.04558	0.7
126.24330	0.4
133.02966	1.5
135.04544	1.1
145.02954	100.0
146.03308	3.6
161.02435	3.1
162.03053	0.8
162.83766	0.5
163.04016	9.5
164.04330	0.5
179.03513	1.5
180.03987	0.6
229.96227	0.4
277.21375	0.4
385.28821	0.5
469.33447	2.9
473.94949	0.4
503.31668	1.3
510.93094	0.5
569.36316	5.5
570.37073	0.6
587.37439	8.3
588.38062	1.2
613.35327	1.9
631.36401	90.8
632.36749	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	631.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
59.01368	0.8
61.21181	0.4
61.98827	1.2
71.01390	0.6
72.99301	0.8
83.05029	5.3
83.60667	0.4
98.19846	1.1
101.02407	0.5
116.92850	0.7
117.03467	34.1
118.03787	1.0
119.05027	14.0
120.05389	0.5
121.02975	1.9
123.04558	0.7
126.24330	0.4
133.02966	1.5
135.04544	1.1
145.02954	100.0
146.03308	3.6
161.02435	3.1
162.03053	0.8
162.83766	0.5
163.04016	9.5
164.04330	0.5
179.03513	1.5
180.03987	0.6
229.96227	0.4
277.21375	0.4
385.28821	0.5
469.33447	2.9
473.94949	0.4
503.31668	1.3
510.93094	0.5
569.36316	5.5
570.37073	0.6
587.37439	8.3
588.38062	1.2
613.35327	1.9
631.36401	90.8
632.36749	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	631.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98847	2.9
69.62749	11.2
71.01382	12.3
73.02951	5.4
73.36490	2.1
85.02962	4.2
96.96021	18.2
101.02457	9.6
108.02174	5.1
109.02933	6.0
109.61854	3.1
113.02447	5.1
115.07684	2.2
129.66930	2.8
135.04532	7.3
151.03989	2.4
152.01187	6.3
153.01904	4.2
155.37808	2.4
161.04578	7.1
229.62029	2.7
269.10336	10.8
291.11319	3.2
311.11404	3.3
352.22214	2.3
469.13376	4.6
553.03033	2.7
631.18170	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	631.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
61.98822	4.2
72.07841	1.0
73.02949	5.8
75.00890	5.3
83.05006	1.3
86.86766	1.0
99.00900	3.4
99.92585	12.9
115.04007	1.4
116.03535	1.6
116.07153	2.7
116.92861	100.0
117.01949	11.1
117.03471	15.0
117.05569	5.1
117.92849	4.7
119.05005	6.5
137.96931	1.2
140.21388	1.2
145.02943	55.4
146.03294	1.2
163.03996	6.2
229.24188	1.2
240.33507	1.2
276.18204	1.2
277.21716	2.5
387.13544	1.2
469.34018	1.3
494.46158	1.2
503.30649	1.2
530.49847	1.1
569.36145	2.6
587.37537	5.1
613.35535	1.6
631.36389	54.8
632.36572	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	628.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	38.6
61.98832	6.0
69.49383	2.7
71.01384	21.3
71.05034	5.0
71.33839	4.1
71.34186	3.5
72.99297	9.9
73.02942	10.1
78.69576	2.7
78.95910	5.3
85.02946	4.3
86.86868	2.8
87.00857	3.8
89.02425	3.7
97.03005	3.7
99.66037	2.5
101.02481	14.5
102.68958	2.8
102.86104	2.6
109.02962	2.9
113.02429	5.8
115.07647	75.8
116.07945	2.8
121.02918	3.5
125.02393	3.2
132.02129	3.4
133.03000	14.5
135.04529	19.1
137.02390	2.9
145.02951	3.1
156.10301	16.8
158.11824	18.9
161.02443	44.9
162.02869	6.7
163.04033	2.8
167.14413	31.7
169.12434	2.6
179.03496	11.6
203.05635	3.0
211.13380	36.1
229.14392	37.5
237.18428	3.5
241.18071	44.1
242.18146	3.2
254.17632	3.1
255.19814	4.6
265.17944	12.3
265.21716	9.2
267.19522	2.8
272.18637	3.7
283.19196	21.8
290.21356	3.3
297.20865	3.1
307.19089	7.3
308.22195	14.7
309.20654	20.2
326.23462	6.8
406.29565	4.0
424.30667	100.0
425.30975	10.4
434.23508	3.1
466.31622	8.6
478.31729	5.6
628.37604	23.6
629.36993	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	629.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46736	1.4
59.01374	6.2
61.98830	4.7
71.01395	4.6
71.65943	2.1
72.99306	5.2
84.28764	1.4
96.93481	1.5
98.04411	1.4
99.00999	1.8
101.02464	3.0
101.03127	1.5
102.31144	1.7
113.02490	1.7
133.02954	8.2
135.04518	5.4
147.41907	1.4
151.03998	2.9
152.18735	1.3
153.12860	4.4
161.02438	24.6
162.02811	2.7
163.11359	1.5
165.12840	6.6
170.05830	3.7
179.03439	7.3
179.10759	6.0
181.12332	80.5
182.12695	4.1
197.11929	1.5
199.13376	100.0
200.13699	5.3
214.42828	1.6
215.12823	1.9
226.72980	1.4
285.10440	1.7
291.19687	3.3
363.25305	8.3
381.26367	21.0
382.27026	2.1
403.64224	1.7
473.00507	2.1
629.37067	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	628.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	38.6
61.98832	6.0
69.49383	2.7
71.01384	21.3
71.05034	5.0
71.33839	4.1
71.34186	3.5
72.99297	9.9
73.02942	10.1
78.69576	2.7
78.95910	5.3
85.02946	4.3
86.86868	2.8
87.00857	3.8
89.02425	3.7
97.03005	3.7
99.66037	2.5
101.02481	14.5
102.68958	2.8
102.86104	2.6
109.02962	2.9
113.02429	5.8
115.07647	75.8
116.07945	2.8
121.02918	3.5
125.02393	3.2
132.02129	3.4
133.03000	14.5
135.04529	19.1
137.02390	2.9
145.02951	3.1
156.10301	16.8
158.11824	18.9
161.02443	44.9
162.02869	6.7
163.04033	2.8
167.14413	31.7
169.12434	2.6
179.03496	11.6
203.05635	3.0
211.13380	36.1
229.14392	37.5
237.18428	3.5
241.18071	44.1
242.18146	3.2
254.17632	3.1
255.19814	4.6
265.17944	12.3
265.21716	9.2
267.19522	2.8
272.18637	3.7
283.19196	21.8
290.21356	3.3
297.20865	3.1
307.19089	7.3
308.22195	14.7
309.20654	20.2
326.23462	6.8
406.29565	4.0
424.30667	100.0
425.30975	10.4
434.23508	3.1
466.31622	8.6
478.31729	5.6
628.37604	23.6
629.36993	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	628.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38546	1.3
59.01363	7.5
61.98806	2.5
69.03451	3.0
69.54816	11.2
71.01405	2.0
78.95938	1.6
83.85812	1.2
96.96022	3.5
97.02946	12.8
100.00409	4.7
112.88474	1.4
123.18336	1.5
125.02444	100.0
126.02748	2.0
129.03081	1.4
153.05554	2.1
203.05661	1.8
223.50183	1.4
234.53969	1.6
254.06671	8.6
329.08560	3.1
529.36523	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	628.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93344	0.3
59.01376	1.3
61.98832	100.0
69.65466	0.3
71.01391	0.5
71.62980	0.5
72.99329	0.4
73.03008	0.4
83.05055	0.4
89.47857	0.3
93.03470	0.9
109.03003	0.6
111.75337	0.3
119.05099	0.4
121.02966	0.5
123.04544	1.0
128.11020	0.3
133.02969	0.6
137.02477	1.0
151.04018	3.6
151.05853	0.4
161.02490	1.4
165.05516	0.5
182.47198	0.3
193.05080	0.3
240.61346	0.3
293.09268	0.4
294.10074	0.7
326.09076	0.4
347.60599	0.4
416.16217	0.4
436.93341	0.3
448.18683	0.7
544.21338	0.4
552.19983	0.7
570.64679	0.4
627.32489	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	628.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.9
61.98832	4.3
65.59936	0.5
69.42421	3.7
71.01366	1.4
72.99302	1.5
73.02959	0.8
78.95899	1.1
93.03448	0.8
96.95991	0.8
98.20625	1.2
101.02446	1.0
105.03446	1.1
109.02925	1.2
113.02490	0.8
117.03467	0.8
119.05042	0.6
121.03011	0.8
122.06101	1.2
123.04510	1.3
126.90464	0.6
132.02209	2.6
133.02953	35.7
134.03752	1.1
134.06158	0.5
135.04524	22.7
136.04852	3.3
137.02437	1.9
145.02933	1.2
149.02432	0.5
152.07140	1.6
152.99635	0.7
159.04587	0.7
161.02441	100.0
162.02768	5.2
163.04057	0.6
170.99068	0.7
175.04085	0.6
176.92599	0.5
178.02644	0.8
179.03482	9.2
180.03897	0.9
181.08638	1.2
197.04509	1.8
209.11823	1.1
253.09642	0.6
460.19156	0.7
461.18970	0.8
480.12906	2.9
481.13702	0.8
498.13882	3.8
499.14767	1.0
504.17920	1.1
522.19159	1.4
540.15057	19.7
541.15521	3.2
547.22308	0.7
548.22516	1.0
592.21185	1.1
627.29388	1.2
628.27612	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	628.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46063	0.4
59.01382	7.1
61.98829	3.2
63.05579	0.4
66.01822	0.4
67.17323	0.5
67.34541	0.4
71.01379	1.1
71.65437	0.6
72.99312	1.6
80.05082	0.4
83.18886	0.5
85.02956	0.6
89.02381	0.4
96.95993	0.6
101.02442	0.9
105.03465	0.7
109.02956	0.9
110.94025	0.5
113.02410	0.7
117.03550	0.7
119.05059	0.5
122.06118	1.1
122.72498	0.5
123.04533	1.0
132.02132	2.7
133.02959	39.2
134.03770	1.0
134.06120	0.7
135.04533	18.7
136.04912	2.1
137.02466	1.5
145.02959	0.6
149.02483	0.5
152.07170	1.3
154.88255	0.5
161.02444	100.0
162.02789	4.6
178.02667	0.7
179.03499	7.8
180.03825	0.6
186.76761	0.4
193.83321	0.5
197.04602	0.9
203.03445	0.6
209.11867	0.8
269.04568	0.5
316.66589	0.5
427.00281	0.5
434.18414	0.6
460.18689	1.4
461.19180	1.6
480.12900	2.0
498.14053	4.0
499.14685	0.7
504.17554	0.8
505.18185	1.0
521.50537	0.5
540.15082	19.0
541.15503	2.5
548.22510	0.9
571.36731	0.6
576.33075	0.6
591.20770	1.0
592.21399	0.8
628.27209	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	627.21
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	2.6
62.93751	1.8
68.82906	1.6
70.40546	2.0
70.40907	5.8
73.01745	1.7
73.02974	1.8
116.74033	1.8
116.92878	1.9
161.02498	3.1
183.95258	1.8
204.88443	1.9
335.01794	1.7
452.14581	2.3
481.15225	7.7
493.15179	2.9
495.16763	17.8
496.17075	3.2
521.14453	2.5
535.16260	2.5
536.16809	2.3
540.16644	5.0
541.16486	1.9
551.19232	35.4
551.27130	2.6
552.19934	8.1
572.15454	2.9
594.61023	2.0
595.18262	8.0
596.18329	3.0
627.20959	100.0
628.21198	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2095
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
52.11425	0.7
61.98829	1.4
70.27203	2.9
73.02938	1.0
87.29303	0.7
121.14391	0.6
126.82504	0.7
166.02229	0.6
324.12164	0.8
371.65109	0.7
438.13333	1.5
451.13901	1.1
452.15051	4.1
467.50482	0.8
480.14383	0.9
481.15170	8.3
482.15668	1.2
493.15198	1.2
495.16748	17.4
496.17285	4.0
507.16821	1.0
508.17441	1.4
509.18286	1.1
512.13824	1.0
521.14813	1.1
526.14545	1.8
533.18323	1.1
535.16144	2.7
536.16998	3.3
540.16730	4.4
551.19391	44.1
552.19690	10.2
554.17871	1.2
555.18604	1.5
568.16357	0.8
572.15393	2.5
586.16956	2.6
595.18561	9.6
596.18005	1.7
627.20929	100.0
628.21332	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	627.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	1.5
59.01380	25.8
60.42717	0.7
61.98831	3.7
71.01388	2.1
72.99305	1.2
76.80517	0.7
79.95743	1.2
83.01402	1.2
88.98725	0.7
93.03461	1.8
96.96025	1.2
101.02410	1.3
106.98143	0.8
108.02151	1.5
112.89893	0.8
113.02442	0.9
117.03483	6.8
119.05064	6.6
121.02959	100.0
122.03278	3.0
122.06088	1.4
124.69020	0.7
126.90498	9.2
133.02928	2.3
135.04538	2.9
137.02434	2.6
145.01840	1.2
145.02953	22.4
147.30518	0.8
159.04497	0.8
161.02438	8.6
163.04012	2.5
179.03464	2.3
187.04135	1.9
209.11694	0.9
297.12466	1.2
311.05832	1.3
323.10382	1.8
367.09906	1.5
465.35941	0.9
521.24066	7.9
522.24335	1.0
627.16559	1.8
627.25842	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	627.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95601	0.7
59.01380	17.5
61.98824	1.3
65.21452	0.6
68.01741	0.6
69.44073	1.4
69.44473	4.9
71.01376	3.3
72.99310	0.7
73.02943	0.9
80.05066	2.1
85.02947	1.3
89.02425	0.7
91.07170	0.7
94.06612	2.8
101.02439	2.2
106.06593	0.8
108.04563	7.0
109.02967	1.6
113.02443	1.5
119.04955	0.8
120.04571	1.0
121.05310	1.1
122.06123	15.1
123.06418	0.8
126.44355	0.6
126.90496	2.6
133.02940	2.0
133.70346	0.7
134.06117	5.2
135.04535	2.8
136.07686	2.0
138.05675	0.7
143.52930	0.7
145.02986	1.8
148.04126	0.8
160.04042	5.4
160.06433	2.4
161.02449	5.6
161.04552	1.1
162.02751	1.1
171.10313	1.0
173.96620	0.6
174.05583	0.8
179.03510	1.3
193.44545	0.7
197.07291	0.9
201.10275	1.0
203.39742	0.8
209.07224	0.8
211.08815	2.9
212.78166	0.7
213.10352	13.1
221.07181	0.7
223.08762	2.0
225.10280	1.8
226.11092	1.1
235.08679	3.2
236.09222	0.8
237.10220	1.8
239.11885	7.0
241.13420	5.0
249.06703	1.1
250.07426	1.0
251.08221	2.5
251.11946	1.0
252.62349	0.7
253.09656	1.4
263.08279	4.5
265.06458	1.1
265.09735	2.4
267.11429	1.1
269.09384	1.0
277.09888	1.0
279.07745	6.0
279.22037	0.7
281.09335	13.8
285.12433	20.9
286.12714	2.6
291.07776	12.6
292.08234	1.0
293.09372	2.5
293.12906	2.2
309.08636	1.1
311.10431	1.6
313.06760	0.8
323.10529	4.7
328.10944	0.8
341.11624	1.4
344.14063	0.9
354.12375	1.3
355.12839	0.8
356.13690	0.9
357.14578	1.2
358.15533	4.0
370.15677	1.1
381.22305	0.8
382.11774	2.0
383.12509	1.2
384.13385	1.1
396.13199	1.2
398.15009	2.9
400.16504	1.6
410.15247	0.9
411.15070	1.1
417.14410	1.0
433.16724	1.5
459.14566	0.8
460.14874	0.9
461.15515	3.6
462.16373	1.1
463.21371	1.4
465.35840	1.2
474.17084	1.2
475.17697	3.7
476.18460	1.3
477.18997	2.1
479.20691	0.8
489.20288	3.5
490.19867	1.7
491.20822	5.0
492.21576	1.3
501.15680	1.9
503.17084	1.3
505.22287	3.4
509.22110	0.9
517.18799	6.7
518.19257	2.4
521.22003	4.7
522.21588	0.8
525.26929	1.1
533.21887	32.9
534.22284	5.8
543.16699	2.3
549.21655	1.6
559.19904	3.0
561.17932	3.4
562.18121	2.2
565.20642	7.5
577.20911	100.0
578.21246	15.8
585.28955	1.3
595.21844	8.4
596.22388	2.3
597.23444	3.2
609.23505	19.5
610.23712	3.6
627.26337	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	626.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24425	1.0
55.61692	1.0
56.39458	1.0
61.98833	100.0
69.57846	3.1
69.58273	4.3
73.10266	1.0
98.22822	1.4
161.65033	1.0
162.62459	1.0
372.93011	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	627.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
69.44897	0.9
69.45313	2.5
71.01367	0.6
73.02948	0.4
78.95890	0.5
98.20644	0.7
101.45335	0.3
102.49802	0.4
109.02989	1.0
116.06631	0.4
117.03425	0.6
122.03735	0.4
123.04528	6.7
126.90468	0.5
132.02150	1.4
133.02962	24.2
134.03333	0.8
135.04510	2.8
135.83636	0.4
144.07906	0.4
145.02939	0.4
145.09818	0.4
147.04562	0.9
149.02383	0.6
150.03232	0.9
151.04001	4.2
153.05589	3.9
159.04518	1.1
161.02444	100.0
162.02792	4.8
163.04114	0.5
169.33682	0.4
179.03508	0.8
182.84599	0.4
239.48541	0.4
267.06812	0.5
269.08206	2.7
313.07166	19.0
314.07541	1.9
329.23151	0.6
405.31311	0.8
627.27228	1.4
627.38446	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	626.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31219	0.9
51.08504	0.9
59.01384	46.5
61.98829	2.8
70.96136	2.2
70.96519	1.0
80.05090	0.9
89.92584	1.0
94.06628	2.7
104.05076	1.1
106.06629	6.9
108.04564	1.1
110.02550	1.6
112.04043	3.9
116.05060	4.6
122.06126	9.6
123.03271	8.9
124.04076	5.9
132.04529	7.9
134.06128	87.4
135.04510	1.8
135.06438	1.9
138.05617	27.4
144.04565	3.0
146.06137	2.4
148.07684	1.7
150.05637	1.1
152.07179	7.8
158.02481	2.3
160.04047	19.5
163.04053	1.0
164.07149	5.1
166.06506	0.9
172.04031	8.8
174.05487	1.4
176.03529	3.2
184.06154	4.8
186.05643	1.4
190.05107	11.9
192.06671	48.0
193.06960	2.0
194.08272	2.6
204.06662	22.3
205.07169	1.1
212.10841	1.1
218.08282	2.6
234.07782	1.3
237.10278	1.2
239.08022	1.1
249.10461	1.4
251.11804	2.3
255.11369	2.4
256.09921	2.0
263.08295	2.6
264.09015	2.2
265.09750	1.9
267.11349	1.8
277.09723	2.5
278.10471	1.0
279.11343	8.8
280.11832	1.2
281.09283	5.9
281.12527	1.7
293.09250	2.7
295.10858	1.6
305.09338	1.9
307.10892	35.3
308.11185	4.0
309.08868	1.4
311.13983	14.0
325.11737	2.1
337.11902	9.5
339.13480	100.0
340.13910	9.2
357.14603	3.7
367.12976	50.4
368.13370	4.5
397.14029	15.6
398.14346	1.8
399.15570	43.6
400.15863	4.4
402.18024	1.9
410.04077	1.1
446.17175	3.6
462.20288	2.1
479.17667	1.1
488.18121	5.3
490.16089	1.4
506.19327	19.9
507.19043	3.8
522.18799	1.2
532.17194	4.6
532.53448	1.4
538.21967	1.8
550.18329	22.9
551.18622	4.0
564.19861	7.0
582.21033	11.3
583.21313	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	626.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33216	0.7
59.01384	13.5
61.98829	100.0
71.01395	4.1
71.63381	1.2
72.99302	1.3
75.00877	4.9
82.41818	0.7
89.02465	3.5
93.03448	0.8
95.37584	0.6
101.02451	3.1
103.30379	0.7
103.97092	0.6
109.02963	5.5
110.03226	0.8
112.59064	0.6
113.02462	2.2
117.03507	1.1
119.03504	1.0
121.02898	1.3
123.04556	0.8
132.02150	1.8
133.01442	0.7
133.02965	5.5
134.03778	4.3
135.04520	10.5
136.04880	0.9
137.02452	1.2
139.04004	0.8
143.03481	0.7
145.02945	1.7
149.02440	4.0
150.03235	2.1
153.01886	0.8
159.63335	0.6
160.01659	6.5
161.02441	17.2
161.03725	1.2
162.02824	1.8
163.04083	1.0
163.11282	1.4
175.03986	12.1
176.04485	1.0
179.03506	8.4
180.03957	0.6
191.07158	0.9
193.05054	3.4
197.04575	1.6
197.93599	0.6
207.10326	2.9
216.19537	0.6
235.06194	0.8
239.07092	0.9
250.06094	1.0
267.06580	9.5
268.06946	3.8
283.06204	2.4
284.06506	0.6
311.05615	11.5
312.06351	0.9
313.07175	0.8
315.10989	2.0
369.15802	0.9
387.16589	24.2
388.17136	2.1
446.24832	0.8
563.21332	35.4
564.22119	4.3
625.38495	2.5
626.14441	2.2
626.25769	1.5
626.38013	1.4
627.16449	0.9
627.27356	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	626.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23391	1.0
59.01382	34.0
65.03942	0.9
65.11304	1.0
69.37773	9.9
74.11967	1.0
79.56187	1.0
92.22932	0.9
94.06638	2.5
99.00883	1.2
103.00411	1.4
106.06621	6.2
110.02477	1.8
112.04049	2.4
116.05045	4.7
122.06130	7.8
123.03273	6.3
124.04085	4.9
130.02957	1.3
130.06746	1.0
132.04587	7.4
134.06126	81.5
135.04617	1.0
135.06482	2.6
138.05605	26.3
140.07170	1.1
144.04562	1.8
146.06128	2.8
152.07173	7.9
158.02505	2.9
158.06114	2.5
160.04044	17.8
164.07156	2.6
166.05116	1.5
172.04051	5.1
174.05635	1.0
176.03529	2.7
184.06163	3.6
186.94279	1.1
190.05132	12.3
191.05479	1.3
192.06670	44.6
193.07010	1.7
194.08246	2.0
202.05164	1.4
204.06667	21.3
216.06731	1.3
218.08250	2.5
235.12376	1.4
237.10324	1.2
239.11714	1.1
250.11391	1.1
251.11925	2.0
255.11385	3.1
256.09793	1.2
263.08194	2.0
265.09784	2.6
267.11505	2.4
277.09827	3.3
279.11359	9.6
281.09418	4.4
293.09198	1.7
305.09317	2.5
307.10889	26.6
307.14291	2.2
308.11261	2.9
309.12460	1.9
311.13992	10.7
323.10562	1.1
325.11981	1.8
337.11893	11.1
338.12344	1.4
339.13477	100.0
340.13763	9.6
357.14655	4.6
367.12964	24.5
368.13229	2.7
397.14099	13.4
398.14252	1.5
399.15576	47.5
400.16037	4.9
402.18188	1.7
419.16193	1.6
446.17346	5.5
462.19992	1.4
478.16064	3.3
479.17941	1.7
488.18512	1.9
490.16049	1.6
506.19293	18.5
507.18585	3.3
520.21265	1.8
532.17224	3.4
533.17554	1.2
538.21887	2.0
550.18268	31.9
551.18597	5.3
564.19873	4.7
582.20984	9.4
583.21234	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	625.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	1.4
63.68996	1.4
73.02945	1.3
73.40594	1.1
98.20641	2.6
118.49329	1.2
133.02969	1.9
135.04494	2.4
141.84840	1.3
153.01889	1.3
161.02411	11.1
179.03482	2.1
184.50691	1.4
213.10297	8.5
299.13925	2.8
313.07117	3.0
362.77567	1.3
370.15631	1.8
385.14133	1.6
398.14966	1.8
433.12930	2.9
434.13571	2.7
447.14752	3.8
448.15210	9.2
449.16342	7.3
463.17673	19.0
464.18188	4.8
465.19073	1.9
477.19244	3.0
478.20016	1.7
479.20914	13.2
480.20892	1.8
491.17224	30.0
492.17654	4.2
505.18835	4.1
506.19043	8.8
507.20157	4.1
519.20471	2.4
523.19635	3.5
538.22168	30.7
538.29852	2.6
539.22778	9.7
593.24133	8.8
625.26642	100.0
626.26837	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	625.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09678	0.5
59.01377	2.4
64.81970	0.5
66.98823	0.5
69.28932	0.8
69.29339	4.7
71.01376	2.4
73.02953	0.7
81.03448	1.9
83.01366	1.1
85.02949	3.5
93.03468	2.2
95.01385	1.7
96.96021	3.4
99.92585	1.4
101.02454	0.7
108.02178	66.4
109.02967	39.2
110.03266	0.7
113.02480	0.9
115.92018	1.0
116.92819	2.9
117.03465	6.8
119.05029	2.1
121.02942	1.3
121.37261	0.5
123.00906	1.6
123.04509	0.9
133.02965	2.8
135.04521	4.4
137.02426	2.4
138.54327	0.5
145.02962	16.6
146.03316	0.8
149.02422	0.7
150.03264	0.8
151.04030	1.0
152.01158	54.0
153.01955	16.1
154.02312	0.6
161.02437	8.9
161.04544	0.7
163.04053	3.7
165.01971	0.6
165.05487	0.6
171.10268	1.3
179.03519	3.7
181.05086	0.7
195.02934	0.6
211.13437	3.6
221.11945	0.7
229.14491	2.8
239.12949	0.7
246.61203	0.6
267.06668	0.7
283.05948	0.9
291.19754	1.0
311.05591	1.9
313.07275	2.9
315.07278	1.1
327.21774	7.7
328.21948	1.0
368.39084	0.5
463.12274	1.3
498.33444	0.6
537.23395	6.0
538.23218	0.7
625.28674	100.0
626.29022	15.2
654.01953	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	625.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16008	1.3
59.01380	16.8
68.99821	1.7
69.39029	3.2
69.39430	9.8
71.01379	1.4
93.03475	2.5
96.95985	1.4
99.92588	2.4
101.02442	1.3
104.86473	1.3
108.02192	1.8
109.02946	21.9
116.92870	9.5
117.03465	28.2
118.03792	1.9
119.05025	49.6
127.83068	1.5
132.37454	1.4
133.02942	4.7
134.06131	1.6
135.04526	14.2
137.02490	2.5
143.05008	9.8
145.02951	100.0
146.03325	2.6
147.04469	1.9
149.02388	2.2
150.03229	4.0
153.01950	1.5
159.04509	9.9
161.02429	16.0
162.03145	1.7
163.04005	63.5
164.02789	1.5
164.04298	1.8
174.03195	1.6
175.03987	4.0
179.03477	10.8
187.04001	17.1
188.04166	1.6
188.07184	2.2
191.76414	1.6
201.01952	2.1
203.03456	13.6
227.07057	1.5
237.05545	3.3
247.83299	1.4
249.05426	1.4
255.06497	3.1
265.05057	1.6
267.06619	5.2
273.64554	1.4
283.06003	5.4
295.10849	1.6
311.05597	21.5
312.05914	2.9
313.07138	31.4
314.07507	2.7
419.11035	2.2
442.17313	2.1
445.09302	10.6
477.21295	9.3
495.22263	5.7
502.19736	6.6
537.23358	33.1
538.23853	4.6
553.46906	1.8
606.42798	1.5
625.13519	1.7
625.25311	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	625.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01377	31.2
59.98521	0.5
60.99282	0.4
61.39271	0.4
61.98838	1.3
62.55162	0.4
63.19418	0.4
69.61443	1.1
69.61851	2.6
71.01383	3.6
72.99326	0.5
73.02958	0.5
75.00855	0.6
80.96539	0.5
83.01390	0.5
85.02964	1.0
87.00853	0.5
89.02449	1.8
93.03442	0.6
99.04514	6.4
101.02454	1.3
108.02187	0.7
109.02962	0.8
109.06575	0.6
113.02457	1.1
117.03465	2.0
121.02973	0.7
132.02170	1.6
133.02962	4.7
134.03738	30.3
135.04543	7.1
136.01668	1.1
137.02446	2.0
145.02888	0.5
147.04521	6.7
148.05309	3.2
149.06073	8.0
151.03976	1.1
153.05536	0.6
156.01974	0.6
158.03712	1.9
160.01646	12.0
161.02449	3.5
162.06892	0.5
163.04010	1.2
163.07610	1.0
164.04825	0.7
165.12856	3.6
173.02382	0.5
173.06058	1.1
174.03239	1.3
175.03996	17.4
176.04779	17.2
177.01952	3.2
177.05374	1.7
178.02708	5.0
179.03506	3.6
189.12842	1.0
191.07130	18.7
192.04288	2.7
192.07387	0.6
193.05049	30.5
194.05411	1.6
202.02753	0.6
207.06606	6.4
207.13884	6.7
209.11819	20.3
210.12109	1.6
217.04982	1.2
220.03674	3.3
225.14957	5.2
235.06102	34.8
236.06483	2.3
251.05557	0.7
251.12930	5.6
265.07138	11.5
266.07455	0.6
268.06885	0.6
269.13928	100.0
270.14288	6.5
281.06659	0.7
283.06113	1.1
287.15179	1.0
295.08200	16.0
296.08578	0.9
311.05518	1.2
312.06039	1.0
313.06210	1.1
337.09213	0.6
355.10333	7.4
356.10800	0.5
423.55249	0.5
449.20251	10.6
450.20471	1.3
565.22784	0.6
607.23932	1.1
625.24988	35.4
626.25165	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	625.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.0
61.98830	6.5
65.29577	0.4
69.46409	0.5
69.46784	3.5
71.01389	2.7
72.99306	10.7
73.02946	0.6
73.49860	0.4
75.00863	2.3
85.02953	0.7
89.02444	0.8
93.03455	4.5
98.20652	0.8
101.02441	1.5
107.05034	0.8
108.02174	1.5
109.02959	8.3
113.02421	0.8
117.03461	0.8
119.05029	13.0
121.02950	1.0
123.04514	3.4
132.02173	0.8
133.02956	20.7
134.03685	2.0
134.06129	0.6
135.04526	90.2
136.04871	2.9
137.02438	8.4
145.02954	2.6
147.04573	0.7
152.01143	1.0
153.01933	0.5
159.04561	0.8
161.02446	100.0
161.09677	0.7
162.02812	4.1
163.04027	8.5
174.03293	0.6
175.04028	1.8
179.03502	97.3
180.03848	4.1
181.05078	16.4
182.05367	0.5
187.11356	0.8
193.05069	0.5
197.04546	12.0
203.03484	1.4
205.75821	0.5
227.03535	0.5
249.05640	0.6
253.05031	0.5
255.06601	0.9
267.06613	2.3
281.06598	5.4
283.06186	1.1
291.06766	1.4
292.07251	0.5
311.05688	1.4
313.07239	0.7
343.08215	21.5
344.08551	1.4
359.09827	3.6
417.11850	0.6
461.10898	20.5
462.11292	1.7
479.11884	19.2
480.12399	1.8
515.09912	1.0
625.14441	17.7
625.26398	2.8
625.38153	2.8
626.14636	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	625.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91935	0.8
59.01383	6.4
61.70513	1.0
69.57446	5.9
71.01381	3.2
81.03460	1.5
85.02937	3.1
93.03459	3.7
95.01416	1.7
96.96011	7.3
98.95613	1.0
99.92586	1.5
101.02455	1.3
107.04478	0.9
108.02180	46.2
109.02962	32.0
113.02439	1.0
115.92123	1.0
116.92858	8.8
117.03465	32.7
118.03819	1.1
119.05027	7.5
121.02955	1.7
133.03000	4.5
135.04555	7.2
137.02480	4.1
143.04958	1.3
145.02960	100.0
146.03284	3.5
149.02411	1.1
150.03206	1.7
151.04005	1.3
152.01158	45.4
153.01927	13.4
161.02467	11.2
163.04015	12.3
171.10147	1.0
174.03328	0.9
179.03522	6.3
187.04004	2.6
211.13431	3.1
229.14420	2.0
243.24316	0.8
255.06470	1.0
264.82117	0.9
267.06699	1.2
283.06250	1.7
295.06085	1.3
303.27966	1.0
311.05728	2.0
313.07233	4.2
327.21628	4.2
399.48364	0.9
415.31174	0.8
463.12646	2.4
477.21213	2.6
495.22437	1.2
537.23376	31.4
538.23853	4.0
625.28650	73.4
626.28949	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	625.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80880	0.1
59.01379	0.8
61.98847	0.3
62.24601	0.1
66.07842	0.2
66.57669	0.2
69.51737	1.1
72.82619	0.2
72.99290	0.2
77.03974	0.2
81.03458	0.2
85.03002	0.1
93.03442	0.3
94.90920	0.2
95.05057	0.2
105.03509	0.3
107.05016	0.2
108.02191	0.2
109.02957	3.1
115.01875	0.2
116.92850	0.2
117.03503	0.2
121.02968	0.5
122.03702	0.3
123.04520	2.7
124.04856	0.2
132.02180	1.0
133.02956	23.9
134.03235	0.8
135.04530	4.2
136.07680	0.3
137.02571	0.2
145.02927	0.8
149.02440	3.7
150.03229	2.6
151.04021	3.8
152.04349	0.2
159.04539	0.9
160.01678	0.3
161.02443	100.0
162.02782	4.2
163.03970	0.4
170.05222	0.2
173.02426	0.6
174.03236	1.1
175.03943	0.2
177.01932	0.4
179.03482	2.8
197.06111	0.3
202.02573	0.2
203.03455	0.3
209.06023	0.3
211.07722	0.4
222.06581	0.2
224.04773	0.2
227.07198	0.2
237.05579	0.5
238.06302	0.3
239.07112	0.6
249.05527	0.4
250.06296	0.8
250.31595	0.2
253.04901	0.2
254.05801	0.3
255.06505	0.6
265.05057	0.4
266.05826	0.6
267.06610	9.0
268.07028	0.7
269.08167	1.5
283.06076	2.2
293.04535	0.5
295.06039	2.1
296.06488	0.2
311.05600	13.5
312.05978	1.1
313.07159	28.9
314.07507	2.3
337.03558	0.4
352.11932	0.2
445.09299	1.4
446.09613	0.2
459.38165	0.2
475.10260	0.2
537.23413	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	625.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36231	0.1
64.26072	0.2
71.39766	0.4
76.16460	0.2
77.03994	0.2
88.41372	0.2
93.03470	0.2
105.03405	0.3
109.02953	3.5
121.02951	0.8
123.04515	2.1
132.02173	1.0
132.03062	0.2
133.02956	20.5
134.03291	0.4
135.04527	2.2
135.74844	0.2
145.02930	0.7
147.04520	0.3
149.02443	5.2
150.03227	7.0
150.71512	0.2
151.04019	4.4
158.03699	0.2
159.04518	0.5
161.02443	100.0
162.02771	3.9
163.04012	0.3
173.02438	0.4
174.03131	0.5
175.03909	0.2
179.03477	1.8
195.53755	0.2
201.01955	0.3
203.03589	0.2
211.07550	0.3
221.05933	0.2
237.05550	0.4
239.07112	0.4
249.05618	0.5
250.06335	0.5
254.05836	0.3
255.06659	0.4
265.04889	0.2
266.05957	0.5
267.06613	7.5
268.07071	1.1
269.08206	1.6
283.06076	1.3
293.04608	0.2
295.06128	1.0
311.05621	9.9
312.06198	1.4
313.07162	30.6
314.07547	2.7
337.03284	0.2
445.09293	0.8
475.10040	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	625.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
61.98832	5.3
62.21061	0.2
63.99248	0.7
70.93993	0.5
71.01382	0.2
72.99303	0.2
81.12243	0.1
89.02436	0.2
93.03447	0.2
105.03448	0.3
109.02960	3.9
117.03531	0.1
121.02966	0.9
122.03744	0.2
123.04536	2.7
132.02173	1.2
133.02959	21.9
134.03317	0.6
135.04524	2.4
136.07672	0.6
137.02371	0.2
145.02930	0.6
147.04512	0.2
149.02455	5.0
150.03230	6.4
151.04016	4.5
158.03668	0.2
159.04523	0.7
161.02444	100.0
162.02791	3.7
163.03983	0.6
173.02386	0.3
174.03163	0.6
177.01913	0.4
179.03493	2.2
193.06607	0.2
201.01917	0.4
203.03540	0.4
207.03123	0.1
209.06009	0.4
211.07532	0.3
221.06180	0.2
221.15414	0.2
237.05531	0.4
238.06281	0.3
239.07150	0.4
248.04866	0.2
249.05571	0.4
250.06305	0.7
254.05890	0.3
255.06618	0.4
265.05011	0.2
266.05948	0.3
267.06625	7.3
268.07251	1.0
269.08218	1.5
270.08948	0.2
283.06131	2.0
293.04645	0.4
295.06091	0.7
297.12134	0.2
311.05618	9.5
312.06110	1.2
313.07169	31.5
314.07538	2.4
339.04868	0.4
346.70740	0.2
445.09171	0.6
446.09576	0.2
463.10233	0.4
471.17874	0.2
475.10364	1.0
593.23773	0.2
625.13568	0.2
625.23700	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	625.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21825	0.1
59.01373	0.5
71.03195	0.1
77.03951	0.2
84.01815	0.1
93.03480	0.2
95.05025	0.2
98.03053	0.1
105.03477	0.4
109.02955	2.7
117.03471	0.3
121.02972	0.9
122.03698	0.2
123.04520	2.6
132.02130	1.2
133.02956	21.7
134.03223	0.6
135.04520	2.0
137.02399	0.2
145.02934	0.9
149.02454	3.4
150.03224	3.3
151.04013	4.6
159.04526	0.2
160.01634	0.2
161.02443	100.0
162.02783	3.8
163.04095	0.2
173.02431	0.4
174.03192	0.6
175.03909	0.2
177.01926	0.3
179.03484	2.2
183.04594	0.1
189.02020	0.2
197.06010	0.2
201.02019	0.3
202.02760	0.3
209.02895	0.1
209.06070	0.3
211.07594	0.3
221.06065	0.2
237.05580	0.4
238.06335	0.3
239.07062	0.4
249.05513	0.5
250.06372	0.6
253.01825	0.2
253.04930	0.1
254.05774	0.3
255.06654	0.3
265.05051	0.4
266.05811	0.4
267.06613	10.3
268.07129	0.7
281.04617	0.2
283.06128	1.6
293.04532	0.3
295.06046	0.4
311.05609	11.7
312.05981	0.9
313.07166	34.3
314.07471	2.7
370.08716	0.2
445.09305	1.0
475.10364	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	624.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.32984	2.0
69.75650	11.8
120.23781	2.3
124.81367	2.3
146.68637	2.4
214.88326	2.4
313.51059	2.2
461.86246	2.3
462.60880	2.1
596.64825	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	625.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27025	0.7
57.03450	2.8
59.01377	9.3
61.98838	7.4
69.03466	0.9
69.35605	3.2
69.36024	4.4
71.01376	3.1
72.99297	1.0
73.02942	0.9
79.95745	2.2
80.96524	1.0
82.23199	0.8
85.02934	1.2
87.56723	0.9
89.02449	0.9
96.96000	1.3
98.20566	2.0
100.07723	0.9
101.02455	1.4
109.02925	0.9
121.02991	1.8
126.54497	0.8
126.90512	100.0
133.02939	5.1
134.06113	2.4
135.04575	5.5
135.06389	0.8
145.02957	1.7
149.02420	1.3
150.03271	2.9
151.03987	1.3
161.02444	21.3
162.02824	1.8
163.03989	2.2
179.03424	3.1
187.07704	1.1
197.11848	5.9
197.35643	0.8
209.02783	1.6
209.11832	5.4
249.14958	23.1
250.15331	2.0
256.37091	1.0
267.06598	2.4
283.06281	1.0
285.12427	1.7
286.12726	1.0
295.10928	1.0
302.05679	0.8
311.05704	2.1
313.07230	4.1
341.14883	0.9
377.06165	78.7
378.06540	6.6
391.07651	2.0
419.07358	5.2
445.09702	0.9
452.03851	1.0
549.24066	1.9
564.20123	1.8
565.21686	1.0
592.22974	2.8
593.23138	5.3
624.25641	1.0
625.25641	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	623.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22959	1.6
59.01385	26.7
59.24244	1.6
61.98828	7.1
63.44024	1.4
71.01396	4.1
72.99342	2.7
75.00867	1.9
79.93674	1.4
89.02448	2.9
93.03475	2.2
95.01419	1.8
98.19852	3.9
108.02206	3.4
109.02943	6.4
113.02438	3.6
117.00192	1.7
117.03463	31.2
119.05039	49.9
120.05408	3.0
121.02967	7.9
123.04552	2.1
133.02977	5.6
135.04541	6.7
137.02480	2.1
143.05063	9.7
145.02959	100.0
145.62791	1.9
146.03307	7.0
149.02513	2.6
149.04555	3.9
161.02440	14.0
163.02699	3.9
163.04019	63.6
164.04373	3.4
173.02463	2.0
175.03983	1.9
179.03505	3.9
187.04033	16.9
188.04442	1.7
225.05380	2.6
227.03493	6.5
241.04910	2.4
249.05562	3.2
250.06284	2.2
253.04982	3.4
253.14236	1.9
255.06673	2.4
265.05096	2.7
267.06622	18.2
269.04279	1.9
281.04575	2.1
283.06113	4.7
309.04089	1.9
310.05063	2.2
310.62793	1.7
311.05594	48.9
311.09070	3.2
312.05923	5.3
349.04398	1.9
417.09796	4.7
443.07809	2.1
461.23978	4.5
475.19687	8.0
493.20789	6.2
504.33923	2.1
526.05627	1.8
535.21863	28.0
536.22174	5.1
563.27014	2.2
623.11786	2.0
623.29218	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	623.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65545	0.4
59.01385	6.5
60.02508	0.4
61.98832	0.9
70.53817	1.3
71.01384	1.0
72.99316	0.4
76.01046	0.4
78.95909	1.0
83.45303	0.4
84.03593	0.4
85.02959	0.5
89.03966	0.5
92.27624	0.4
101.02441	0.7
105.03471	0.8
109.02954	0.6
117.03436	0.7
132.02127	3.2
133.02956	40.4
134.03725	1.2
135.04529	9.8
137.02411	0.6
145.02898	0.6
159.04431	0.7
161.02440	100.0
162.02791	4.9
179.03510	6.8
247.84338	0.4
306.13660	0.4
311.05530	1.8
373.34677	0.4
475.19577	2.0
493.20828	3.9
535.21814	43.6
536.22021	6.0
630.22626	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	623.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83114	0.5
52.47887	0.5
53.44086	0.6
59.01375	7.7
67.96752	0.5
69.38639	3.4
71.01376	1.7
73.02921	0.6
85.02966	0.7
89.02436	3.7
93.03470	0.6
109.02943	2.4
113.08347	0.6
117.03465	36.6
118.03834	1.5
118.98106	1.0
119.05017	11.2
121.02982	0.5
131.03491	1.2
133.02959	5.3
135.04530	9.1
143.05006	2.0
145.02950	100.0
146.03276	4.3
147.04535	0.9
149.02571	1.0
149.04552	13.7
150.03174	1.0
151.04086	0.6
161.02448	11.7
162.03119	0.6
163.04010	14.3
164.04320	1.0
174.03236	0.7
175.04039	1.9
177.02022	0.6
179.03503	6.5
187.03978	2.8
197.04495	0.7
211.04002	1.1
225.05547	0.6
227.03482	8.1
228.04045	1.0
229.04994	0.6
237.05571	1.4
239.03471	0.8
240.04276	1.6
241.05054	3.0
253.05055	4.9
254.05710	0.6
255.06761	0.7
265.05093	2.6
266.05502	0.5
267.06604	3.2
268.07010	0.7
283.06152	1.7
285.04025	3.1
311.05576	4.8
311.08212	2.1
399.08710	5.2
400.08850	0.9
417.09702	8.3
418.10098	1.6
443.07587	2.7
461.08823	3.2
475.19708	2.0
493.21066	2.3
519.62921	0.6
535.21851	33.0
536.22351	4.6
623.12451	1.3
623.25983	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	623.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97492	1.2
58.83153	1.4
59.01380	20.6
63.33499	1.3
68.52451	1.4
69.73555	6.7
71.01380	7.4
72.99305	2.3
73.02956	4.8
75.00862	5.4
80.96515	2.7
85.02951	3.7
87.00883	1.6
89.02445	16.2
89.60536	1.3
92.20514	1.3
93.03513	1.6
96.96027	2.2
98.19849	1.7
101.02459	1.8
106.06641	2.2
108.02150	2.1
109.02950	12.7
113.02475	1.5
114.93391	1.8
117.03466	36.2
117.55821	1.3
118.98029	3.6
119.05025	11.2
121.03014	1.9
123.82102	1.3
126.90502	4.7
131.03528	3.6
133.02940	7.7
134.06134	10.1
135.04527	28.5
137.02391	1.8
145.02956	100.0
146.03322	4.2
149.02483	5.9
149.04559	70.9
150.03201	4.4
153.01950	2.7
161.02464	25.3
161.04550	2.3
161.05949	1.7
163.04022	18.0
173.02428	5.3
174.03268	7.8
177.01941	1.8
179.03500	26.1
180.03769	1.8
188.07201	3.7
189.09215	1.6
209.06209	1.8
227.07062	2.0
237.05536	4.4
254.05841	4.2
255.06726	6.6
265.04990	3.0
267.06635	8.6
279.11276	1.8
283.06116	23.6
284.06451	2.6
293.04660	2.5
293.09158	1.7
295.10910	5.0
296.11224	4.8
305.08929	1.9
307.10886	4.1
308.11185	1.6
309.03976	2.3
310.04630	3.3
311.05231	79.3
312.05630	9.2
443.07635	4.9
443.18048	5.4
461.08701	2.4
487.17117	1.8
502.19821	2.6
503.20102	20.9
504.20871	2.0
507.35193	2.7
521.29132	1.7
535.21918	25.1
536.22443	2.9
547.19037	21.2
548.20093	1.7
556.15558	1.7
579.21637	4.0
591.22675	2.8
623.14270	2.6
623.24115	6.7
623.35736	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	622.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72692	0.3
59.01377	6.6
60.51156	0.2
61.98830	100.0
69.88708	1.2
71.01363	0.2
79.16911	0.2
82.06441	0.3
89.73751	0.2
104.74216	0.3
116.92841	0.6
133.02950	0.4
140.79393	0.3
153.75208	0.2
161.02451	1.5
192.60788	0.3
279.50851	0.3
297.47055	0.3
377.93198	0.2
455.31857	0.4
493.93146	0.3
508.91708	0.3
515.33618	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	622.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.6
59.40345	0.3
61.98832	100.0
71.01390	0.9
72.99316	0.4
78.95919	0.4
80.96546	0.3
85.02953	0.4
98.19834	0.6
101.02429	0.3
110.65584	0.2
113.02455	0.3
116.92887	0.8
123.17051	0.2
126.90567	0.4
133.02995	0.8
135.04567	0.9
145.03024	0.4
148.95517	0.2
149.02454	0.5
160.21352	0.2
161.02451	2.8
179.03477	0.3
267.06757	0.3
308.32697	0.3
311.05814	0.4
351.05795	0.3
352.06070	0.4
423.79739	0.3
455.31750	1.5
515.34198	1.6
623.27722	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	623.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.7
60.37595	1.3
60.99314	19.7
61.98838	19.8
68.54078	1.3
71.01383	6.3
72.99323	2.7
73.02950	2.0
74.02489	1.9
85.02956	2.6
88.98811	100.0
89.02464	4.1
93.03453	2.1
98.20618	3.8
101.02451	3.4
108.02174	2.1
109.02955	12.5
113.02457	3.4
115.21849	1.3
116.92883	1.4
117.03458	7.7
119.03666	1.6
119.05030	43.6
122.06146	1.4
123.04507	1.7
133.03015	2.6
134.03726	2.3
134.06155	2.6
135.04538	11.8
136.01711	1.3
137.02461	3.5
141.25459	1.4
143.05011	1.7
145.02960	20.2
151.04007	2.1
152.01184	1.5
153.01892	1.6
161.02464	7.3
161.06094	1.6
163.04010	84.2
164.04385	3.4
175.04037	2.1
178.02701	2.8
179.03513	5.2
193.05084	5.7
197.04495	1.8
197.06158	2.5
199.03935	4.0
205.05008	1.8
208.98601	1.4
209.06023	1.3
211.03880	1.7
216.25546	1.3
225.05388	1.8
226.02635	3.4
227.03506	23.1
228.04128	2.7
235.80304	1.3
240.04254	5.3
241.05070	2.9
249.05475	3.3
252.04002	2.5
253.05000	5.5
254.05756	2.8
255.06511	2.3
261.05493	2.1
265.05093	2.3
267.06519	2.0
277.05029	2.0
278.05859	2.4
279.06628	2.0
280.03751	2.8
280.07086	2.0
281.04471	3.2
283.05234	1.9
294.09732	1.7
308.03214	3.7
309.03995	4.8
311.05530	2.8
369.15366	2.0
387.16708	5.1
399.08737	2.3
407.09564	2.2
425.10611	2.2
439.12552	3.2
443.07520	2.7
503.20139	5.4
503.32715	1.9
513.07800	2.8
519.28735	1.6
533.20386	7.2
537.29199	1.6
547.18976	5.3
579.13153	2.6
579.21838	2.6
579.32837	3.9
623.11932	42.0
623.21991	4.1
624.12067	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	622.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32233	2.0
59.01379	61.5
59.42345	1.8
60.99301	2.7
61.98840	5.9
66.33854	2.0
69.34652	13.9
69.35074	4.7
71.01385	6.7
72.99310	3.4
74.02479	3.7
80.05083	5.6
85.02991	2.5
87.00898	2.2
88.98792	17.2
89.02443	2.9
101.02468	4.3
104.05036	2.2
106.06628	9.8
108.04575	4.6
109.02974	6.1
109.32669	2.0
113.02477	4.1
117.03533	2.4
119.05024	6.6
122.06120	5.0
129.10793	2.3
130.06633	2.4
133.03008	3.5
134.06122	43.4
135.04532	15.1
136.07664	6.2
145.02953	5.1
146.06166	4.2
148.07686	4.3
152.07179	6.9
158.06137	2.5
159.04535	2.6
160.04021	4.5
161.02417	8.8
163.03984	10.2
174.05566	5.9
178.02663	3.6
179.03534	5.8
180.06642	9.6
186.05556	2.0
188.07138	19.6
193.04939	2.8
194.08255	2.9
197.04388	2.9
207.09268	2.1
211.08743	5.7
223.08752	2.4
225.10304	8.5
227.03447	7.8
227.11879	6.1
235.08849	3.3
237.10408	3.5
238.07465	2.2
239.12036	3.2
249.10127	4.0
251.08060	4.5
251.11823	2.6
252.08928	2.8
253.09795	12.6
253.13754	2.1
265.09805	4.8
266.10538	2.5
267.11487	6.1
277.09891	11.0
278.10437	2.2
279.07700	6.8
279.11224	4.9
292.08475	4.3
293.09317	7.8
294.10071	7.2
295.10846	36.2
296.11331	3.0
305.09262	7.5
307.10895	28.3
308.11209	2.3
309.04218	3.0
311.05753	3.1
321.08722	2.8
351.05774	2.9
369.15613	3.8
372.17303	2.9
374.18378	2.5
400.16678	4.6
414.18149	4.6
429.17596	3.5
440.16461	2.5
442.17624	35.5
443.07617	3.0
443.18024	4.5
460.18665	7.1
486.16660	11.0
502.19849	88.5
503.20380	13.4
505.18491	2.8
546.18756	100.0
547.19305	14.1
561.19989	2.5
578.21564	32.4
578.30963	5.1
579.22028	4.6
621.36462	2.7
622.38928	6.2
623.11865	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	622.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.2
61.40497	0.4
61.98828	2.2
69.40099	2.3
69.40509	0.8
70.98653	0.4
71.01404	2.3
72.99294	1.4
73.02927	0.7
75.00874	1.5
80.05036	0.6
80.36475	0.4
85.02950	1.6
87.00847	0.6
89.02423	0.8
93.03469	0.7
95.01349	0.5
96.96041	0.4
99.00882	0.5
101.02432	1.5
103.00408	0.5
106.06626	1.0
107.60767	0.4
108.02159	0.7
108.04575	0.4
109.02956	5.6
113.02435	1.4
117.03460	1.3
119.05029	2.1
121.02962	1.9
122.86720	0.4
123.04542	0.7
123.76773	0.5
133.02959	6.0
134.06111	3.3
135.04538	5.2
137.02426	1.3
145.02956	5.5
146.03316	0.7
149.02437	5.0
150.03204	1.2
152.01146	0.7
152.07109	0.5
161.02452	17.2
162.02782	0.8
163.04019	2.0
171.04425	0.5
173.02443	0.7
174.03224	0.8
179.03539	3.0
180.06635	0.5
188.07224	2.0
189.05537	0.5
193.03459	0.5
193.05038	0.5
193.06554	0.5
196.05263	1.4
197.04460	0.7
197.06087	1.6
201.01895	0.5
202.02725	0.4
208.05188	0.4
209.06030	1.7
209.07927	0.4
210.06772	0.4
211.04025	1.0
211.07658	1.6
221.06094	1.8
222.06810	0.5
223.07578	0.5
224.04794	2.8
225.05603	2.4
225.10432	0.6
226.02672	0.6
227.03552	4.8
227.07071	0.6
227.11865	0.5
228.04204	1.7
229.04976	0.4
235.03995	0.9
236.04610	0.5
237.05609	3.0
238.06450	1.8
239.07155	4.8
240.04277	1.9
241.04974	1.8
248.04880	0.5
249.05591	3.3
250.06252	2.8
252.04340	1.2
253.05055	1.5
253.09752	0.9
254.05678	0.9
255.06502	1.3
265.05072	2.9
265.09689	0.5
266.05789	4.5
267.06610	27.7
268.07019	1.1
269.04645	2.1
277.09726	0.9
279.11389	0.5
280.03702	0.6
281.04523	3.6
282.05359	0.9
283.06088	4.4
293.04553	1.2
293.09570	0.5
294.05295	1.3
295.10873	3.3
307.11072	2.1
308.03073	1.1
309.03839	5.2
310.04617	5.3
311.05609	100.0
312.05829	1.3
351.05692	1.0
352.06088	0.5
359.37433	0.4
372.17081	0.6
389.26688	0.6
400.16800	0.5
435.68002	0.5
439.32346	0.8
442.17590	2.9
443.07642	3.3
443.92496	0.5
460.18677	0.6
461.09451	0.5
468.36865	0.5
473.08771	0.5
477.95132	0.5
486.16849	0.7
489.32272	1.7
502.19888	7.9
503.20303	1.7
535.30786	2.3
546.18713	9.9
547.19269	0.8
578.21484	1.0
579.11938	0.5
579.33606	0.7
604.33203	0.5
622.10760	0.6
622.31512	0.9
623.11908	3.6
623.27014	1.6
623.36768	0.6
646.71057	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	622.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34239	1.3
59.01377	37.9
69.50761	2.8
69.51157	8.4
71.01363	2.4
80.05060	6.2
92.23331	1.4
104.05077	2.5
106.06625	8.4
108.04541	3.2
109.02920	1.9
121.02921	2.3
122.06119	2.2
134.06122	40.9
135.04494	3.2
135.06403	1.2
136.07684	4.7
145.02977	1.6
146.06111	3.9
148.04111	1.8
148.07684	3.2
152.07141	6.9
158.06148	1.8
160.03999	2.8
161.02432	5.1
161.04523	2.1
168.83946	1.3
174.05565	3.6
179.03429	2.0
180.06679	7.1
186.05527	1.9
188.07170	25.3
194.08163	2.2
196.69485	1.2
208.24251	1.2
210.08058	2.1
211.08675	2.9
211.44124	1.3
223.08884	2.4
224.09569	3.2
225.10362	7.2
226.10922	1.5
227.11891	7.7
235.08578	2.1
236.04614	1.5
236.09537	1.8
237.10312	2.3
239.11876	2.6
249.10236	2.7
251.08295	2.9
251.11833	4.3
252.08844	2.4
253.09776	11.6
253.13611	2.4
259.48846	1.4
263.08200	3.1
264.09009	2.5
265.09781	4.3
267.06592	6.0
267.11319	6.7
277.09857	10.0
277.12772	1.7
278.10498	2.7
279.07736	4.5
279.11337	4.9
280.08527	1.4
283.06161	1.7
291.07660	1.8
292.08481	4.2
293.09305	5.4
294.09952	4.2
295.10867	34.7
296.11212	2.3
305.09045	2.6
306.09988	2.0
307.10846	25.7
308.11230	3.1
309.03842	2.1
311.05594	18.9
321.08740	4.1
321.12216	2.1
359.24518	1.4
360.46616	1.3
370.11426	1.7
374.18481	1.4
400.16513	3.2
400.76877	1.7
401.39175	1.3
414.18082	3.7
418.17752	1.6
442.17709	33.6
443.18045	5.0
458.16815	1.7
460.18784	5.7
486.16742	6.4
502.19827	99.8
503.20285	13.7
518.19446	2.8
546.18799	100.0
547.19220	14.2
578.21350	10.8
640.20557	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	622.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	3.0
59.01437	42.2
69.41334	5.1
70.39116	0.6
70.56696	0.5
71.55715	0.6
72.47269	0.6
80.05067	5.1
85.92193	0.6
103.00480	0.8
104.05169	2.0
106.06631	9.9
108.04563	5.7
108.08231	1.3
118.06750	0.7
121.05398	0.7
122.06178	4.4
122.27452	0.7
125.65324	0.7
130.06720	1.8
132.04607	1.0
134.06125	41.8
135.04584	0.9
135.06508	1.1
136.07664	5.9
146.06113	4.4
148.04037	3.1
148.07774	2.6
152.07155	6.4
159.03267	0.8
160.04181	3.0
160.07753	0.9
161.02518	1.3
162.05652	1.4
166.69547	0.7
173.04868	1.0
174.05637	4.0
176.07178	0.8
180.06656	9.7
186.05620	3.1
188.07172	24.9
189.07549	1.1
194.08336	1.9
197.10899	0.8
200.07217	1.6
207.09438	0.8
208.09949	1.0
209.10931	0.9
210.08102	1.4
211.08740	5.1
212.09274	0.8
223.08902	2.5
223.12511	1.3
224.09639	2.4
225.10368	7.0
226.11214	2.1
227.11932	7.5
234.07889	0.9
235.08844	1.5
236.09615	1.6
237.10423	3.0
238.07649	2.1
239.12047	2.3
247.08636	0.8
248.09505	1.2
249.10246	3.2
251.08281	3.6
251.11873	4.6
252.09120	2.7
253.09818	11.8
254.10449	1.3
261.06888	0.8
262.07553	0.9
263.08377	2.2
263.11972	1.0
264.08978	3.2
265.09805	5.0
266.10574	1.9
267.11334	5.1
277.09830	10.0
278.07169	0.8
278.10611	2.4
279.07880	5.0
279.11496	6.3
280.08667	1.4
285.04175	0.9
291.07883	1.9
292.08640	3.4
293.09430	7.0
293.12711	1.2
294.10040	3.8
295.10880	34.1
296.11188	3.9
305.09348	5.0
306.10013	1.9
307.10886	24.8
308.11450	2.0
321.08984	1.6
321.12573	2.9
339.09842	0.9
346.19247	0.8
347.10123	1.3
351.10193	0.9
356.13742	1.2
365.11511	1.2
372.17056	2.4
374.18732	1.6
384.13318	0.9
398.15030	1.2
399.15640	1.0
400.16730	3.0
406.88437	0.7
414.18347	2.9
415.19064	0.9
418.17700	1.7
424.16367	1.3
427.15231	1.1
440.16086	1.0
442.17737	34.6
443.17926	4.8
444.15506	0.9
458.16699	1.1
460.18848	6.8
461.18790	1.0
468.15573	1.0
486.16754	8.9
487.17410	1.2
502.19867	100.0
503.20163	16.0
504.17676	2.1
518.19415	2.0
528.17920	1.4
546.18817	98.9
547.19165	14.6
578.21478	11.3
579.21735	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	621.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11746	4.0
59.01384	78.5
71.01385	58.4
72.99303	12.5
73.02944	19.6
75.00853	6.2
83.01406	10.8
85.02961	26.7
89.02453	19.7
95.01361	7.5
96.96019	7.0
98.19865	16.2
99.00859	7.8
101.02451	31.6
109.02919	4.3
113.02454	37.5
119.03512	10.0
131.98314	4.7
135.04527	9.0
136.01669	5.8
137.02467	8.8
151.00346	18.1
161.02419	11.9
161.04585	10.5
166.02725	70.5
175.02457	5.8
181.05070	85.5
187.04089	5.0
193.03445	10.9
269.04535	11.9
280.07339	8.9
325.10785	4.3
351.05704	33.4
355.11874	12.3
387.10675	11.2
399.23541	7.0
402.13223	4.5
415.19849	10.9
417.15579	100.0
418.15933	9.0
480.16931	5.1
561.29102	40.6
579.30273	32.3
620.36365	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	621.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03444	0.2
59.01382	100.0
60.01714	0.7
61.98833	5.0
69.21130	0.1
70.78008	0.4
70.78374	0.2
71.01376	2.5
71.01694	0.2
72.06605	0.1
72.99316	0.5
73.02966	0.5
75.00882	0.3
76.11562	0.1
79.65108	0.1
83.01404	0.6
85.02954	1.6
87.00877	0.2
89.02461	0.3
95.01415	0.4
96.96017	0.3
97.96081	0.1
99.00903	0.3
101.02451	1.7
112.05188	0.2
113.02441	1.6
116.92873	0.5
117.03522	0.2
117.52927	0.2
133.02983	0.3
135.04575	0.3
145.02991	0.2
160.84583	0.1
161.02487	0.5
161.04579	0.6
179.03534	0.2
193.03563	0.2
269.04657	0.3
351.05801	1.1
401.30475	0.3
417.33728	0.4
531.37146	0.2
561.37994	3.4
562.38489	0.5
579.38983	2.0
580.39246	0.3
621.40295	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	621.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33146	0.5
55.01847	0.6
57.03436	0.7
59.01382	10.6
70.58727	0.5
71.01385	7.1
71.63328	0.7
72.95186	0.5
72.99308	58.0
73.02935	1.8
74.02507	0.8
75.00884	0.6
77.01300	0.5
83.01379	0.8
85.02945	4.9
86.41188	0.6
87.00875	1.2
89.02451	3.0
93.03467	1.3
95.01372	0.7
95.04982	0.6
99.00857	1.1
101.02445	3.8
107.04997	1.1
109.02945	1.7
113.02477	4.0
116.92843	0.6
117.05593	1.8
121.02995	0.7
123.04525	17.7
124.04811	0.9
133.02959	4.6
134.03723	1.7
135.04526	46.6
136.04863	1.6
137.02428	1.9
143.03470	0.9
145.02942	0.8
151.04039	2.7
161.02452	8.8
161.04539	1.8
161.93842	0.5
177.01933	8.0
178.02390	0.9
179.03493	39.6
180.03784	1.0
181.05003	0.7
185.83186	0.5
186.03307	0.6
189.62000	0.7
193.03551	0.7
197.04547	69.0
198.04909	2.3
233.74554	0.5
239.05554	1.8
255.17082	0.6
269.04666	0.8
339.07111	2.3
341.08817	2.2
344.73767	0.5
351.05615	3.1
352.15363	0.6
359.10202	5.6
373.18784	1.2
401.10876	7.2
430.37418	0.6
441.14044	1.9
442.79205	0.6
459.15073	100.0
460.15347	8.3
517.30511	0.7
530.78827	0.6
536.10211	0.6
561.29108	5.0
579.30090	4.8
620.37408	1.0
621.18420	1.5
621.39612	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	620.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.6
61.98824	1.0
69.68336	2.5
71.01366	1.1
72.99326	1.2
73.02956	0.5
85.02974	0.5
89.02425	0.5
93.03477	1.8
101.02454	0.7
109.02926	0.7
113.02491	0.6
117.03426	2.2
119.05037	1.8
121.02956	1.8
123.04523	1.2
126.90512	0.5
130.08737	0.5
132.02200	1.4
132.04590	0.5
133.03017	7.0
133.05333	46.2
134.03758	10.7
134.06023	1.8
135.04539	8.9
136.98894	0.4
137.02435	0.9
145.02916	5.0
146.03336	0.8
147.04535	1.4
148.05309	3.7
149.06071	7.5
150.06520	0.8
160.01666	8.4
160.03949	3.0
161.02443	80.9
162.02753	3.1
163.03975	2.0
175.04007	7.4
179.03506	0.5
180.42029	0.4
190.05122	1.1
234.07686	1.9
251.07059	0.5
252.07878	5.4
265.76312	0.4
269.04614	0.6
277.32697	0.4
283.06049	0.5
292.08481	0.5
294.07602	0.5
295.08487	10.3
296.08707	0.5
307.08212	1.7
310.10846	100.0
311.05612	0.9
311.11172	8.1
312.12421	0.9
328.11896	45.6
329.12259	3.9
349.66446	0.4
351.05731	1.0
475.21976	1.0
503.33755	2.0
504.34088	0.8
515.29968	1.4
558.44415	0.6
577.32782	0.7
589.14362	0.5
620.36743	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	621.1096
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
51.24193	0.4
55.01878	1.0
57.03458	2.7
58.00578	0.6
59.01090	0.7
59.01378	13.7
63.02402	0.7
63.58045	0.5
64.12405	0.4
67.01914	0.5
68.63327	0.5
68.99803	0.6
70.06106	2.1
70.06453	0.7
71.00987	1.2
71.01384	22.7
72.99312	18.0
73.02939	4.1
75.00875	10.6
76.98236	0.4
83.01392	4.0
84.91710	0.4
85.02956	21.2
87.00878	5.4
87.40067	0.4
89.02441	4.5
95.01394	5.5
99.00880	9.3
101.02443	2.7
101.69892	0.5
103.00369	7.5
107.01387	0.9
111.00892	0.8
113.02454	36.6
114.02751	0.6
115.00368	2.3
117.01939	1.5
117.03470	2.1
118.97537	0.5
123.73348	0.5
128.47572	0.5
129.01935	1.8
131.03490	3.0
133.01437	0.8
137.01517	0.5
149.02441	1.0
151.00394	0.6
157.01439	1.5
163.02487	0.9
169.83383	0.5
175.02481	11.1
187.67661	0.6
193.03532	26.7
223.89160	0.6
235.04518	1.4
263.04056	0.7
269.04544	25.2
270.04910	1.5
280.19083	0.6
289.05692	4.7
311.05676	1.6
333.04712	2.5
351.05673	100.0
352.06027	5.9
393.11111	0.4
443.38702	0.6
487.08859	0.9
621.10925	1.4
639.34576	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	619.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45377	0.6
59.01373	2.0
61.98837	2.5
65.92999	0.6
71.01369	0.9
71.63169	1.4
71.88026	0.6
81.04781	0.7
92.51712	0.6
99.00894	0.8
105.01949	6.3
111.38816	0.7
115.20329	0.7
117.03455	0.6
147.03026	3.3
203.12819	0.8
247.15541	1.3
347.20288	0.7
407.32852	1.4
419.31796	0.8
471.34781	100.0
472.35153	13.1
619.30078	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	619.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
57.03452	1.9
58.00587	0.7
59.01381	100.0
60.01709	1.0
60.62634	0.1
61.98827	0.3
67.57440	0.2
69.03450	0.4
71.01382	25.3
71.05028	0.3
72.99295	1.6
73.02949	9.1
75.00880	0.4
79.75129	0.2
81.24438	0.2
83.01387	6.0
84.02201	0.2
85.02953	14.0
87.00868	1.5
89.02444	2.4
95.01395	1.9
97.02961	0.9
99.00882	4.6
101.02444	36.0
102.02792	0.5
111.00879	0.2
112.01639	0.2
113.02454	11.2
125.02431	0.8
129.01949	0.5
133.02957	0.6
134.03770	0.2
135.04529	0.4
143.03519	1.6
159.02995	3.3
161.02618	1.1
161.04556	17.0
162.04913	0.4
182.97258	0.2
205.03488	0.5
210.62865	0.2
232.62025	0.2
284.13684	0.2
399.28952	0.5
415.32199	1.0
429.64319	0.2
441.30084	0.9
447.80878	0.2
448.31415	0.2
457.33249	16.3
458.33539	2.2
529.35217	0.2
559.36334	5.7
560.36517	0.7
577.37006	1.4
619.38513	15.0
620.38873	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	619.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03102	0.3
54.34496	0.3
55.38087	0.3
59.01381	100.0
60.01720	0.9
60.12640	0.3
64.99577	0.3
71.00985	0.8
74.09610	0.3
104.03750	0.3
119.43369	0.3
139.21674	0.3
157.14624	0.3
161.02400	0.5
164.50768	0.3
210.79112	0.3
231.50198	0.3
237.44904	0.3
407.29605	0.5
437.30844	0.8
468.61874	0.3
469.29803	0.6
472.80844	0.4
480.22092	0.3
499.30826	0.8
517.31342	0.5
554.82214	0.4
559.32776	14.5
560.33197	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	619.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01708	1.0
61.98830	0.9
69.47110	0.5
69.47527	1.0
126.13784	0.2
133.05336	0.2
134.03749	0.5
134.30487	0.2
135.04591	0.7
136.04849	0.2
161.02499	0.7
179.03568	0.3
182.86026	0.2
193.05066	0.7
206.96954	0.2
310.11075	0.3
328.11920	0.4
437.31326	0.2
443.45895	0.2
455.31653	0.4
499.31052	0.7
516.74493	0.2
517.32111	0.2
536.43640	0.2
539.04547	0.2
559.33215	0.3
619.34967	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	619.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62185	0.5
57.19255	0.4
59.01381	100.0
60.01725	0.7
69.38222	4.0
71.01387	0.9
71.84663	0.6
73.02947	1.1
76.43743	0.5
77.18093	0.5
85.02946	0.7
93.03461	1.0
101.02450	0.6
113.02457	0.6
115.74488	0.5
117.03467	1.4
119.05009	3.9
135.04547	2.5
145.02986	3.2
161.02522	1.1
163.03983	2.4
165.99828	0.5
175.07591	0.6
179.03532	1.4
181.05104	1.7
188.65701	0.6
228.05533	0.5
236.84631	0.4
296.71252	0.5
307.54367	0.5
371.27524	0.6
389.28409	1.0
417.28204	0.7
421.28131	0.5
435.28989	1.6
437.30725	2.9
452.34570	0.5
453.30048	0.9
455.31647	1.2
469.29547	1.0
473.14572	1.6
487.34323	1.5
499.30829	0.6
559.32758	86.9
560.33124	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	619.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	8.3
63.84029	0.9
71.01377	1.8
71.29363	1.9
74.38424	1.0
76.98431	0.9
82.95212	0.9
106.32341	0.9
117.18435	1.0
125.32950	1.1
143.44286	1.0
147.03003	4.1
222.65613	1.2
286.38165	1.0
469.33014	5.9
471.34775	100.0
472.35132	11.0
474.69202	1.1
530.70471	1.2
619.31305	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	619.385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98815	3.3
70.79197	4.3
71.01380	4.1
73.02999	1.7
78.95921	1.5
85.02952	4.1
101.02456	2.9
123.61336	1.5
137.96344	1.5
142.97253	2.4
145.02931	3.9
161.02396	4.2
161.04503	3.5
201.29704	1.6
244.96805	1.4
299.57309	1.5
487.33975	4.0
492.42081	1.7
619.37714	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	619.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03453	5.7
58.00579	2.0
59.01379	83.9
59.68761	1.0
61.98819	5.3
71.00986	1.4
71.01382	20.9
72.99288	5.1
73.02940	4.1
75.00826	1.3
79.05521	1.2
83.01368	3.3
83.05018	3.1
84.38908	1.1
85.02949	7.9
87.00874	13.6
89.02451	14.6
95.01392	2.6
95.05039	1.6
97.06573	5.8
98.20623	3.0
99.00944	1.1
101.01983	0.9
101.02467	12.5
107.05029	18.2
109.02943	1.4
109.06586	1.5
113.02458	9.1
119.03497	5.0
120.05800	4.6
121.06586	2.0
126.90514	3.1
133.02957	3.5
135.04526	15.5
137.09682	5.1
141.05542	1.8
143.08591	1.5
145.02921	4.5
152.04771	3.7
157.06479	1.6
161.02486	9.0
161.04515	3.1
161.09717	30.1
161.13332	15.2
162.02779	1.2
162.10043	1.5
163.04018	1.5
163.11273	3.1
179.03506	7.7
179.05592	2.1
179.10770	2.5
185.09721	1.6
185.13304	1.5
187.07602	2.7
187.11281	33.3
188.11514	1.3
189.07639	2.0
189.09201	18.9
203.10718	4.5
205.12306	19.2
207.10281	5.7
223.13382	35.8
224.13718	1.5
229.12247	4.0
231.10184	3.7
249.11305	18.9
251.01146	1.2
267.12357	39.3
268.12640	3.1
291.12408	2.9
309.13406	5.6
327.25375	2.4
339.14401	9.5
369.15524	38.1
370.15982	2.7
387.16513	2.6
429.17609	31.9
430.18076	2.0
457.14438	1.3
487.34109	3.1
619.31146	100.0
620.31311	15.6
635.42212	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	619.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.0
59.01382	87.4
61.98813	4.3
71.01381	14.4
72.99303	7.8
73.02939	2.3
83.05006	2.0
85.02945	4.0
87.00870	7.5
89.02434	9.7
93.03442	2.6
95.01445	1.5
96.96016	2.6
97.06555	3.4
98.19903	3.0
101.02435	9.6
105.07133	1.3
107.05029	9.0
109.02943	2.4
113.02437	5.4
115.92107	1.4
116.92851	1.6
117.03468	17.4
119.03574	3.1
119.05027	100.0
120.01260	6.7
120.05352	3.8
126.90504	1.9
131.36798	1.2
133.02925	4.0
134.03688	2.4
135.04523	22.4
135.11960	1.2
135.44144	1.0
136.04860	1.6
137.02428	1.7
137.03387	1.1
137.09695	3.5
141.05502	1.4
143.03540	1.3
145.02954	96.5
146.03271	5.8
149.02420	1.8
152.04768	2.0
159.08087	1.2
161.02469	10.2
161.04544	2.6
161.09721	18.6
161.13347	7.9
163.04012	57.2
163.11212	1.5
164.04340	2.5
177.86740	1.2
179.03468	5.3
179.05647	1.6
179.10620	2.7
181.05075	34.4
181.06729	1.9
187.11288	22.9
189.09213	12.2
203.10768	3.5
205.12318	10.9
207.10262	3.2
223.13396	25.0
224.13728	1.6
229.12283	1.8
249.11328	11.5
255.19266	1.3
267.12366	29.4
291.12448	2.7
309.13391	4.6
327.08759	12.6
339.14380	5.3
369.15579	26.3
370.15756	2.8
429.17642	20.4
455.13248	2.1
455.31854	1.3
475.23187	1.4
487.34479	2.4
559.25372	3.2
559.33051	2.6
619.31067	52.3
620.31830	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	619.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01380	13.8
61.98826	2.7
70.82156	1.7
71.01385	5.1
72.23698	0.5
72.99310	11.2
73.02940	1.5
75.00864	1.3
78.95910	0.5
81.03454	1.6
83.01404	0.8
83.05024	0.6
85.02959	1.6
87.00874	1.4
89.02435	3.0
93.03460	16.5
95.01381	0.7
95.05061	2.0
97.02932	1.6
99.00885	0.6
101.02442	3.7
107.05060	2.7
109.02971	1.1
113.02431	2.9
116.92852	0.6
117.03471	35.8
118.03757	1.0
119.05027	58.7
120.05389	1.5
121.02969	1.3
121.06641	0.5
123.04544	0.8
126.90545	0.9
129.21585	0.5
133.02957	2.1
134.03723	2.3
134.06160	0.5
135.04533	30.7
136.04822	3.4
137.06129	0.7
145.02959	100.0
146.02275	0.7
146.03291	3.3
147.04514	2.7
148.05327	6.2
149.02470	1.0
149.06107	0.8
159.04460	0.5
161.02444	4.4
161.04581	0.7
161.09781	0.9
161.13335	0.9
162.02898	0.5
163.04010	58.2
163.07666	1.8
163.11235	0.9
164.04372	2.6
171.10269	3.3
171.11620	0.6
172.10541	0.9
179.03464	3.9
181.05063	80.4
182.05371	3.1
187.11276	1.1
190.05081	1.9
191.05196	0.9
205.12366	3.4
207.10298	1.0
209.11810	2.3
210.12152	0.9
220.22375	0.6
223.13388	3.8
242.05341	0.5
249.11374	1.3
265.05081	1.4
265.14609	0.8
267.12317	5.3
307.15436	1.0
309.03958	1.3
309.13281	0.7
311.05563	1.1
327.08731	1.0
327.25424	4.2
328.26093	0.5
369.15570	1.9
387.16492	8.2
411.16794	1.0
455.13486	1.8
473.14520	87.4
474.14929	10.1
487.34561	3.2
575.26147	2.4
575.34576	2.0
618.37665	1.3
619.18713	2.2
619.29089	1.1
619.38251	1.7
620.18347	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	619.2562
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.88358	0.6
57.50091	0.6
61.98831	1.3
63.27361	0.6
70.85840	1.4
85.30575	0.5
132.76245	0.6
164.83556	0.9
204.00768	0.6
251.00468	0.6
368.12381	0.7
377.15488	0.7
389.15433	1.2
401.14008	2.4
402.15787	0.7
415.15717	3.3
416.16412	12.1
417.16815	1.9
429.17065	1.8
430.17935	2.6
431.18826	1.6
434.17474	1.1
444.15771	1.4
450.56497	0.7
458.17310	1.7
459.18256	100.0
460.18680	14.1
473.19791	15.1
474.20331	7.1
475.20367	0.8
485.15897	0.7
487.17645	1.0
499.17297	0.8
501.19608	1.5
503.17255	3.2
504.18008	1.3
517.18793	2.2
518.19574	46.8
519.19873	6.7
527.20416	0.7
529.17145	0.7
531.20532	0.8
532.21057	8.2
533.21942	86.5
534.22272	11.6
543.20435	0.7
587.22864	6.9
588.23352	1.6
619.25610	82.3
620.25897	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	617.3841
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
56.77774	0.3
71.65733	0.6
78.62881	0.3
81.46307	0.3
117.03472	27.1
118.03815	0.9
119.05023	7.6
121.02955	1.8
123.03158	0.3
129.63623	0.3
133.02959	0.5
143.41710	0.3
145.02957	100.0
146.03304	3.5
162.03276	0.4
163.04002	1.5
203.69356	0.3
240.95786	0.4
244.09424	0.3
425.61292	0.3
449.63034	0.4
453.33487	1.4
497.32571	1.4
573.39758	0.7
617.38458	95.1
618.38794	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	619.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94128	0.7
57.03447	1.4
59.01384	23.6
61.65079	0.7
61.98820	2.2
69.03458	0.7
69.32178	0.7
69.32536	0.9
71.01376	7.1
71.46545	1.0
72.99308	12.0
73.02950	2.0
75.00867	1.5
80.24882	0.8
81.03459	1.1
83.01399	1.1
84.40385	0.7
85.02966	2.3
89.01971	0.7
89.02425	4.1
93.03462	16.2
95.01359	1.1
95.05006	1.3
96.96032	0.9
97.02948	1.7
99.00885	0.8
101.02450	6.3
107.05058	2.3
109.02962	2.1
113.02465	3.2
117.03471	32.2
118.03810	0.8
119.03600	1.8
119.05030	65.1
120.05365	2.7
121.03013	1.5
123.04583	1.4
126.90491	0.9
133.02950	2.9
134.03743	2.2
135.04524	34.4
136.04869	2.8
137.02429	1.2
137.06143	0.8
145.02956	100.0
146.03261	4.1
147.04515	2.8
148.05305	5.8
149.02438	0.8
159.03035	1.0
161.02451	9.5
161.04605	1.0
161.13367	1.3
162.02892	1.1
163.04010	58.1
163.07716	2.4
163.11310	1.3
164.04352	2.7
171.10280	4.4
172.10678	1.5
175.03967	0.8
179.03473	6.2
181.05069	79.0
182.05402	3.0
187.11266	1.5
190.05106	1.6
191.05330	0.8
200.08167	0.8
205.12378	2.6
207.10313	2.6
209.11824	3.7
210.12143	2.0
223.13405	5.7
223.36453	0.8
231.10390	0.7
249.11308	1.3
265.05042	1.8
267.06567	1.2
267.12390	5.6
269.66818	0.9
309.04169	2.2
309.13333	1.1
311.05692	1.1
326.10495	0.9
327.25372	3.2
369.15585	2.1
374.86581	0.8
387.12021	1.5
387.16608	13.9
429.17587	1.2
455.13678	1.3
456.32233	0.9
469.33112	0.9
473.14529	84.5
474.14877	8.9
487.34076	8.9
559.32983	2.2
575.26129	2.8
575.35187	1.8
619.18518	2.1
619.30219	2.7
619.39673	1.6
620.18195	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	617.333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12840	0.4
57.28614	0.3
59.01381	100.0
60.01700	1.0
71.01399	0.5
73.02961	1.1
91.97686	0.3
96.77463	0.4
98.19765	0.7
98.61404	0.4
98.65193	0.3
100.89356	0.4
106.29353	0.3
115.20206	0.4
161.02446	1.3
171.10281	0.5
208.30626	0.4
230.23206	0.4
309.13409	0.4
399.27200	0.6
415.26459	1.1
417.28168	1.0
435.29010	2.7
436.29208	0.5
453.30072	0.8
460.08286	0.4
460.29968	0.5
479.28085	3.0
480.28091	0.5
497.29059	3.4
498.29852	0.4
515.30042	2.2
516.30780	0.5
539.30078	0.5
557.31378	0.8
617.33478	1.3
631.18713	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	617.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98800	0.3
69.34273	0.7
69.34692	1.5
75.26881	0.2
82.92124	0.3
89.03975	0.4
97.33044	0.2
117.03467	32.2
118.03803	1.0
119.05024	7.2
121.02964	1.7
123.04543	0.5
133.02898	0.5
145.02950	100.0
146.03290	4.1
147.04486	0.3
162.03267	0.6
163.03989	1.5
178.90001	0.2
304.80667	0.3
334.81393	0.3
431.29529	0.2
453.33624	1.4
471.34641	0.3
497.32788	1.3
617.38446	92.2
618.38751	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	617.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37309	0.9
99.94743	0.3
108.13427	0.2
114.59257	0.2
117.03471	28.6
118.03814	0.8
119.05041	7.3
120.05328	0.4
121.02985	1.7
123.04549	0.3
133.02972	0.4
142.66321	0.3
145.02956	95.0
146.03299	3.6
162.03198	0.8
163.04007	2.0
215.99057	0.3
243.36192	0.3
453.33670	1.0
469.33218	0.7
497.32715	1.4
528.10370	0.3
528.17877	0.4
573.39282	0.5
617.38464	100.0
618.38812	20.1
618.49463	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	617.3846
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
61.98826	0.4
69.80783	1.3
78.95934	0.2
83.81219	0.2
83.89417	0.2
89.03972	0.2
91.59175	0.2
98.19778	0.4
98.66732	0.2
117.03468	30.1
118.03802	1.1
119.05027	6.7
120.05291	0.3
121.02968	2.0
123.04515	0.6
133.02943	0.6
134.81165	0.2
145.02954	100.0
146.03304	4.0
146.96712	0.2
162.03233	0.5
163.03984	1.3
356.47592	0.2
453.33685	1.4
469.33215	0.6
497.33078	1.3
498.33127	0.3
573.39343	0.4
617.38446	87.8
618.38788	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	617.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00170	1.2
51.30925	1.3
57.03452	1.3
57.60170	1.3
59.01380	65.1
61.98837	4.0
69.47376	3.9
69.47804	7.2
71.01387	23.4
71.05004	1.7
72.99306	6.2
73.02941	18.8
83.01389	6.3
83.05049	2.5
85.02959	6.4
89.02451	9.8
92.90083	1.5
93.03483	4.2
96.96021	5.5
97.02929	1.8
97.06625	1.4
98.20690	1.9
99.00826	2.1
101.02451	24.9
107.05034	3.3
109.02930	2.2
110.43541	1.4
111.15976	1.4
113.02446	10.2
115.92088	1.3
116.92861	4.2
117.03479	11.5
119.03521	3.3
119.05019	15.9
128.07152	2.7
131.03511	1.7
133.02983	4.5
135.04549	13.3
135.08195	1.8
136.04866	1.5
137.02451	3.8
143.03561	1.8
145.01842	2.8
145.02951	40.2
147.04492	3.1
148.91144	1.4
161.02461	10.0
161.04572	4.0
163.04012	23.6
165.09326	1.6
167.10718	2.3
179.03473	5.6
187.03964	3.4
205.04970	2.5
218.08134	1.9
243.85751	1.7
359.07434	2.2
413.21674	11.7
455.13589	3.0
455.22537	8.0
497.28192	2.4
497.36575	2.1
513.26770	2.4
531.28253	8.9
555.28082	3.3
573.29535	100.0
574.29639	12.8
617.28009	1.6
618.33795	3.4
621.24091	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	617.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00170	1.2
51.30925	1.3
57.03452	1.3
57.60170	1.3
59.01380	65.1
61.98837	4.0
69.47376	3.9
69.47804	7.2
71.01387	23.4
71.05004	1.7
72.99306	6.2
73.02941	18.8
83.01389	6.3
83.05049	2.5
85.02959	6.4
89.02451	9.8
92.90083	1.5
93.03483	4.2
96.96021	5.5
97.02929	1.8
97.06625	1.4
98.20690	1.9
99.00826	2.1
101.02451	24.9
107.05034	3.3
109.02930	2.2
110.43541	1.4
111.15976	1.4
113.02446	10.2
115.92088	1.3
116.92861	4.2
117.03479	11.5
119.03521	3.3
119.05019	15.9
128.07152	2.7
131.03511	1.7
133.02983	4.5
135.04549	13.3
135.08195	1.8
136.04866	1.5
137.02451	3.8
143.03561	1.8
145.01842	2.8
145.02951	40.2
147.04492	3.1
148.91144	1.4
161.02461	10.0
161.04572	4.0
163.04012	23.6
165.09326	1.6
167.10718	2.3
179.03473	5.6
187.03964	3.4
205.04970	2.5
218.08134	1.9
243.85751	1.7
359.07434	2.2
413.21674	11.7
455.13589	3.0
455.22537	8.0
497.28192	2.4
497.36575	2.1
513.26770	2.4
531.28253	8.9
555.28082	3.3
573.29535	100.0
574.29639	12.8
617.28009	1.6
618.33795	3.4
621.24091	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	617.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19596	0.8
57.41130	0.7
57.41455	0.8
59.01381	100.0
60.01732	0.7
71.01385	14.1
71.19131	1.5
72.99342	1.0
73.02951	5.5
83.01407	2.5
83.05036	0.8
85.02959	9.4
85.64026	0.7
87.00908	0.7
88.13007	0.8
89.02448	1.4
89.47618	0.6
91.46826	0.8
95.01385	1.2
95.05061	1.3
96.96034	0.7
97.02912	1.0
99.00890	2.0
101.02447	10.6
101.27110	0.7
109.02998	1.1
113.02460	7.4
113.06113	0.8
133.02966	1.2
135.04575	2.2
143.03584	1.0
159.03043	1.3
161.02364	1.1
161.04578	4.9
179.03419	0.9
189.05621	2.3
207.13924	0.8
291.20032	0.9
303.19714	1.0
321.20905	1.0
333.20956	1.2
351.21725	5.4
446.24194	0.7
447.24197	1.9
465.25037	2.3
477.25082	1.3
495.25992	17.9
496.26379	1.9
513.27069	24.4
513.34540	1.5
514.27496	3.4
531.28088	2.0
555.28052	6.1
556.28125	1.1
573.29211	5.3
646.53259	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	617.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.3
69.61917	4.7
69.62328	2.0
71.01379	19.3
72.99314	4.0
73.02950	2.5
78.85062	1.0
80.16977	0.9
83.01387	4.1
83.90264	1.0
85.02928	1.1
87.00874	32.3
98.20631	1.9
98.21403	1.0
99.00881	1.1
101.02441	1.5
108.02190	2.1
109.02958	2.5
111.00871	3.4
112.98795	1.6
113.02477	1.4
115.00373	58.9
116.00693	1.2
122.06095	1.3
127.00378	2.2
133.02940	1.4
134.06117	6.0
135.04494	4.2
137.02495	1.6
139.00391	8.0
152.01208	1.8
152.07143	1.9
153.01971	1.4
157.01411	15.8
158.06073	1.1
161.02463	8.7
175.02477	100.0
176.02867	3.0
179.03453	2.7
183.79955	0.9
186.05608	1.5
190.05092	5.9
202.05054	1.2
204.06671	3.0
277.09845	1.0
278.10349	0.9
293.10138	1.8
305.09296	2.4
323.07758	2.3
337.11826	8.2
339.13489	1.6
339.26709	1.1
397.14041	21.6
398.14401	2.3
425.13461	2.9
427.14816	2.0
437.13599	2.5
455.13699	2.0
457.16275	2.5
479.14462	1.0
481.12405	3.3
513.15021	3.6
514.14893	1.3
520.41290	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	617.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.1
61.98820	1.6
66.20598	0.7
71.01377	8.9
72.99277	1.1
73.02943	4.4
82.81889	0.8
83.01376	1.9
85.02946	3.6
87.00846	1.0
89.02455	2.5
93.03452	5.6
93.24364	0.8
95.01407	1.3
96.96042	1.3
97.02937	0.8
98.20768	1.7
99.00861	0.9
101.02452	5.2
111.00877	3.0
113.02440	7.2
117.03467	35.0
118.03798	1.3
119.05026	82.6
120.05347	3.3
121.02908	2.4
123.04542	1.1
124.22800	0.9
124.27690	0.8
125.99568	0.8
127.35903	0.8
128.07141	1.2
132.05827	1.7
133.02962	1.3
133.06604	6.7
135.04520	3.7
137.00816	0.9
143.03455	1.3
145.02950	96.2
146.03339	2.8
147.04559	1.6
161.02414	2.7
161.04550	2.9
161.06059	12.4
163.04002	100.0
164.04353	3.4
177.05537	1.1
187.04037	2.5
197.04498	1.3
205.05043	14.0
217.05054	1.3
235.06073	3.6
247.06128	0.8
247.40022	0.8
380.04587	0.8
426.71826	1.1
455.13232	4.1
497.14383	3.2
529.17224	1.3
573.23248	34.3
574.23114	4.6
617.28894	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	617.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	0.5
59.01383	7.9
61.98825	1.0
71.01389	3.7
72.02755	0.4
72.99313	0.9
73.02957	2.7
83.01431	0.5
85.02964	1.8
89.02465	1.1
93.03456	2.1
96.96022	1.7
97.02955	0.6
99.00927	0.6
101.02444	3.7
101.28620	0.5
109.02979	0.8
111.00906	0.9
113.02412	2.6
116.92889	0.7
117.03469	35.0
118.03839	0.8
119.05031	45.3
120.05372	1.4
121.02957	1.0
123.04553	0.5
132.05821	0.8
133.02962	1.4
133.06625	2.3
135.04524	3.9
145.02957	100.0
146.03285	4.2
147.04454	0.6
147.42393	0.4
149.02573	0.4
153.09230	0.7
161.02449	2.9
161.04808	0.6
161.06064	3.6
161.09695	0.5
163.04012	69.2
164.04355	2.9
173.06036	0.6
179.03392	1.0
187.04059	0.7
187.07800	0.4
205.05069	5.5
205.12448	0.9
217.05090	0.5
223.13315	0.5
235.06108	0.8
455.13474	2.2
455.22778	0.5
497.14432	0.7
527.15283	0.4
529.17157	0.6
573.23279	43.7
574.23602	6.9
574.32129	0.6
617.28864	0.5
618.34784	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	617.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03438	1.3
59.01380	23.4
61.98838	3.5
70.07485	2.4
71.01388	13.4
72.99307	4.6
73.02950	5.2
75.00871	0.7
77.50879	0.8
80.61206	0.7
83.01385	3.7
85.02966	6.3
87.00844	1.3
89.02446	4.1
91.54945	0.7
95.01400	1.0
96.00895	0.7
96.96014	9.6
98.19899	0.8
99.00880	1.6
101.02451	14.7
109.02967	4.1
113.02441	7.1
117.03470	34.5
118.03820	1.4
119.03544	1.3
119.05027	26.2
120.05357	1.3
121.02943	1.7
122.03594	0.9
123.04520	2.0
126.90506	1.0
127.00404	1.1
128.07211	0.8
133.02954	2.9
134.03745	2.0
135.04530	9.2
136.04846	1.0
137.02461	1.5
143.03520	1.1
143.04956	0.9
145.02953	100.0
146.03236	3.8
146.10255	0.7
149.02455	1.3
151.04015	0.7
153.09215	1.0
159.03096	0.9
159.04515	1.0
161.02428	11.4
161.04532	5.7
161.05930	1.3
161.09734	1.2
163.04010	48.7
164.04349	2.0
171.10289	2.7
173.06097	0.9
175.04070	1.8
179.03496	5.1
187.04025	4.6
187.07622	4.7
197.04564	2.0
197.53664	0.7
205.12418	1.0
209.11862	2.5
231.10271	1.8
251.16548	5.4
269.47687	0.9
275.09357	0.9
281.04572	2.7
293.10321	2.0
311.05624	1.5
323.05310	1.8
341.06689	2.5
359.07715	1.4
413.22025	1.7
455.13757	1.3
455.31763	5.7
532.76221	0.8
573.23346	46.1
574.23608	7.0
617.16656	1.2
617.26447	2.5
617.37689	4.0
618.33685	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	612.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41418	2.0
59.01385	12.0
60.23311	1.9
61.98852	2.8
68.99815	3.8
69.17645	2.3
71.37942	4.0
93.03474	2.6
102.83422	2.1
117.03487	18.9
119.04217	4.4
119.05025	57.3
120.05344	4.2
135.04593	3.2
141.72998	2.4
143.05067	21.7
145.02948	54.8
147.04504	2.3
161.02483	6.0
163.04012	100.0
164.04355	3.8
172.13939	2.8
187.03987	30.4
213.95760	2.5
464.13528	11.6
482.14468	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	612.136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94510	0.7
59.01377	5.2
65.05454	0.8
69.41371	7.2
98.20634	1.7
106.78991	0.8
117.03466	35.0
119.05029	9.3
135.04498	0.8
140.43462	0.8
143.04961	0.8
145.02959	100.0
146.03258	3.7
163.04018	13.3
164.04309	1.4
187.03975	1.6
213.45837	1.0
464.13324	2.2
473.49484	0.9
524.15527	13.8
525.15997	1.5
534.08856	1.0
568.19019	1.9
568.69440	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	612.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.5
70.05125	3.5
74.46519	0.9
77.86405	1.0
87.24725	0.9
93.03442	1.1
106.54744	0.9
116.92831	1.5
117.03475	29.1
118.92648	1.1
119.05032	6.8
135.04501	1.6
137.02513	1.1
143.05016	1.4
145.02951	100.0
146.03275	3.1
149.28995	0.9
161.02443	1.6
163.04027	10.4
187.03981	1.6
187.13359	1.0
298.26395	1.1
464.13644	3.2
524.15656	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	613.287
Annotation	Forskoditerpenoside B
Peak:m/z	Relative Intensity
57.01548	0.7
57.03437	1.4
58.00582	0.8
59.01381	44.9
61.27576	0.7
61.98828	1.8
69.85566	0.6
71.01379	7.1
72.99303	1.6
73.02937	2.3
73.95153	0.7
83.01332	0.7
85.02959	2.1
87.00853	1.6
88.98824	0.9
89.02430	3.1
95.01341	0.9
96.96023	1.9
101.02448	3.7
107.05065	0.8
109.02946	0.9
109.06597	0.8
110.06001	0.6
113.02460	1.3
117.03496	0.9
119.03510	1.4
119.05050	0.8
123.04514	1.2
124.02879	0.6
133.02962	2.2
134.03732	1.9
135.04549	5.3
137.02431	0.7
139.11292	12.4
143.03491	0.6
145.02945	1.1
149.02495	0.9
161.02440	4.8
163.03978	0.9
163.11267	4.8
165.09245	1.9
166.65089	0.7
169.12306	1.2
179.03496	2.5
179.10693	1.0
181.12340	6.5
183.10260	11.0
193.05086	0.9
197.04451	0.9
197.11780	0.7
199.13416	1.3
207.10246	5.3
225.11295	8.4
229.83089	0.6
243.12341	4.9
267.12466	0.9
269.04547	0.9
269.13852	1.3
285.13321	1.1
344.36145	0.7
369.15533	2.8
387.16525	4.8
459.16489	0.8
551.28333	1.1
553.26550	6.8
554.26581	1.2
595.27393	6.9
613.28650	100.0
614.28870	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	615.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01725	1.5
61.98827	3.3
70.03838	3.2
71.01374	3.1
72.99307	1.2
73.02954	0.6
78.34004	0.5
79.61028	0.7
83.01405	1.1
85.02964	2.2
89.02425	1.0
96.96069	0.7
99.00930	1.0
101.02458	2.2
113.02473	3.2
117.03537	0.7
119.05049	1.0
125.16332	0.6
133.02968	1.2
135.04555	2.6
139.03995	1.1
143.05072	0.7
144.05383	0.8
145.03000	2.5
146.03291	1.1
161.02455	3.2
163.03983	0.6
171.10231	1.2
177.52814	0.6
179.03590	1.1
187.04050	1.6
224.36227	0.7
243.11760	0.6
421.27682	1.1
451.28482	0.8
471.31186	1.1
495.27567	1.6
539.23462	1.1
555.30200	1.2
614.78186	0.6
615.37207	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	616.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68536	0.8
61.13667	0.8
61.98832	100.0
63.15608	0.6
63.84414	0.7
66.64204	0.7
70.85727	2.2
87.58376	0.7
107.28679	0.8
121.46822	0.8
144.08908	1.0
152.11943	0.8
153.00806	0.7
197.11821	2.2
255.23228	3.1
549.00739	0.9
553.37469	6.8
554.37689	1.1
562.68921	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	617.0048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01723	0.7
61.98831	2.9
71.37679	1.7
72.94126	0.8
77.63839	0.8
82.51061	0.8
90.97160	1.3
111.95113	0.9
115.02499	4.5
117.00460	6.1
132.98232	4.8
138.13364	0.8
141.00363	1.0
156.99983	1.0
157.03677	1.0
159.01501	58.3
160.01663	2.9
174.99255	40.2
192.95895	1.3
201.02571	11.8
202.02661	1.0
217.00304	83.4
218.00674	2.4
229.06047	1.0
232.98315	1.9
256.98331	1.0
259.01443	1.1
274.99402	5.4
290.97095	3.5
301.02682	25.6
302.02679	4.3
317.00427	64.6
318.00632	5.2
322.96643	0.7
332.98221	21.8
359.01468	4.8
374.99258	35.1
375.99695	2.1
390.97269	1.4
456.98349	1.8
459.01691	5.8
460.01324	1.0
474.99335	29.5
475.99374	3.7
514.97162	1.5
555.00494	1.8
556.98383	36.5
557.98785	6.2
594.56769	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	611.2711
Annotation	Taxayuntin J
Peak:m/z	Relative Intensity
52.00203	0.5
57.03442	1.1
58.00573	0.7
58.65696	0.6
59.01381	54.9
61.98828	1.8
66.51675	0.6
68.99800	0.9
71.01384	9.5
71.64600	0.8
72.99314	2.5
73.02945	1.4
82.96349	0.7
83.01379	1.4
83.05028	1.5
85.02943	2.6
87.00869	2.7
89.02460	6.3
93.03457	2.4
95.05036	1.3
99.04495	0.9
101.02459	7.0
108.02172	1.4
109.02940	1.4
109.06588	0.7
112.76283	0.6
113.02435	2.8
119.03510	2.6
119.05018	7.5
119.08690	0.9
120.05362	2.6
122.06026	0.6
123.04476	1.5
133.02910	0.8
134.06097	0.9
135.04512	4.3
135.08168	1.5
137.02432	3.4
137.09727	7.6
138.03036	0.6
141.05566	0.9
145.02966	1.6
147.04448	0.9
152.01181	1.2
153.09212	0.9
159.08087	0.7
161.02431	2.4
161.04689	0.6
161.09729	2.0
162.03169	0.7
163.04019	5.7
163.07645	3.6
163.11287	4.8
164.04338	1.8
177.05521	1.1
177.09193	1.6
178.02614	0.9
179.03429	1.9
179.10791	3.6
181.05070	0.8
181.08716	3.3
182.05330	0.7
193.05089	3.1
193.12367	0.6
197.04436	0.7
197.11824	2.8
207.10262	7.9
217.19907	0.6
221.08293	0.8
223.09764	1.0
241.10806	2.1
273.91785	0.6
282.06824	0.9
339.06412	0.6
346.85425	0.6
357.13382	0.6
369.15564	2.6
387.16617	24.3
388.16919	1.5
445.10922	0.8
446.11606	1.5
447.12057	3.5
464.12781	2.1
465.12918	3.0
507.34360	0.8
526.08911	0.7
535.19116	2.6
547.18365	1.7
549.27185	4.9
551.24982	7.3
552.25110	0.9
567.21350	1.7
593.26331	2.4
611.27081	100.0
612.27417	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	611.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
92.36810	77.7
114.44629	85.7
355.26883	98.9
408.80923	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	611.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00568	2.6
59.01383	63.6
60.51545	1.3
61.98824	4.8
69.86522	8.3
70.10205	1.3
71.01389	37.7
72.99297	6.3
73.02899	1.6
74.25583	1.6
75.00867	1.7
83.01385	1.6
85.02923	6.8
87.00847	3.3
89.02452	26.1
95.01362	3.9
96.95991	4.0
98.20657	1.8
99.04525	28.9
99.59058	1.3
101.02444	15.7
111.04555	2.0
113.02452	12.0
119.03520	9.3
123.04462	1.9
133.02917	2.4
135.04495	4.8
137.02403	2.4
161.02428	4.6
179.03529	3.2
179.05510	3.2
189.12907	7.9
197.04544	1.5
207.13898	46.9
208.14191	2.5
209.11711	1.9
241.04939	1.5
248.30289	1.5
251.12898	100.0
251.21794	1.6
252.13185	6.0
269.13928	3.4
292.54861	1.6
369.70090	1.4
431.19202	96.8
432.19543	7.4
449.14444	2.4
473.07053	1.8
611.25507	84.4
612.25891	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	611.1973
Annotation	Durantoside III
Peak:m/z	Relative Intensity
51.50727	1.2
59.01373	1.5
61.98838	2.4
70.82044	3.5
71.01378	1.5
73.89816	1.0
76.67020	1.2
83.01397	2.0
85.77396	1.1
95.01392	1.7
109.02936	4.9
111.00874	2.2
115.67912	1.3
123.00905	6.6
124.01663	1.8
127.00410	1.6
135.04526	3.5
136.98799	3.3
137.02432	2.1
138.03247	12.3
139.00377	18.8
139.03970	2.5
153.01930	2.8
153.05573	8.3
159.04504	1.8
161.02420	4.3
165.05614	1.4
166.02626	1.2
175.04036	1.6
188.04829	1.6
189.01981	1.7
190.02689	4.0
191.03523	3.9
193.05069	1.4
197.04654	1.4
203.03418	1.8
205.01448	1.4
205.05031	6.7
217.01424	4.8
218.02106	1.5
219.03058	2.4
219.06653	1.7
232.03767	4.1
233.04509	3.2
235.14401	1.3
247.06099	5.7
269.08417	1.4
275.84399	1.2
300.22824	1.2
327.08673	1.5
350.08353	1.5
356.05280	1.6
359.07217	1.7
369.09540	2.0
370.07080	1.3
371.00577	1.3
371.07632	5.0
373.09540	1.3
374.09943	2.8
383.07892	1.2
385.09293	3.0
386.10013	10.3
389.12405	18.1
389.62839	1.5
390.12756	1.2
401.12473	23.6
402.12790	2.4
408.56497	1.2
413.12549	6.4
419.13474	7.9
431.13510	19.3
432.13718	2.8
449.14511	100.0
450.14746	9.8
461.14166	1.4
480.21991	1.2
521.12164	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	611.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31851	14.4
53.37273	18.3
57.50763	13.7
61.08468	14.6
61.98828	51.4
67.33865	15.1
70.67952	15.3
71.64726	23.2
73.41321	13.2
78.95908	73.1
96.96023	96.5
96.96970	26.2
103.99895	15.7
116.92841	89.8
125.84492	16.5
137.17406	15.4
143.27061	14.4
152.99605	100.0
153.72032	17.2
161.02480	17.2
179.03572	17.0
229.84648	17.1
368.32959	18.3
431.21585	21.0
527.28088	16.6
552.24585	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	611.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29454	1.9
54.14494	1.8
57.03459	1.6
58.29703	1.8
59.01379	84.2
61.98822	4.5
71.01390	11.1
72.77552	1.9
72.99349	2.2
75.09173	1.8
75.59784	1.8
78.95893	5.5
79.95737	4.5
80.96526	23.7
81.73209	1.7
83.01349	2.2
85.02966	3.5
88.98816	2.7
89.02467	2.8
94.98077	5.8
95.01386	1.7
101.02448	4.7
113.02431	4.4
119.05038	3.1
122.06116	2.5
126.90515	100.0
134.06110	5.6
135.04526	4.3
145.02928	2.8
152.99599	8.3
161.02423	5.4
163.04021	3.7
164.98586	5.3
180.22900	2.2
193.47090	2.0
225.00693	5.5
244.77464	2.0
356.14044	2.6
365.90250	2.0
492.21130	8.8
506.23355	2.1
507.12491	9.6
507.23303	5.4
519.20728	2.2
525.13666	3.0
551.22815	3.6
567.14496	4.1
579.22638	2.4
610.27100	2.9
611.27460	59.0
612.27948	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	611.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
58.08760	0.9
59.01378	3.4
61.98831	5.0
67.01904	1.0
68.99808	1.0
69.03448	1.7
69.44073	6.7
71.01385	3.4
73.02938	0.9
73.47706	1.0
81.03456	15.9
82.49738	1.0
83.01383	13.1
85.02955	2.9
89.02419	1.4
93.03458	3.4
93.40305	1.2
95.01382	4.3
95.05020	7.3
97.02944	9.2
99.04494	5.6
101.02443	2.6
105.03466	1.1
107.05002	2.1
109.02941	4.9
111.00890	1.4
111.04526	3.6
113.02437	4.0
117.03445	3.0
121.02943	5.1
121.06641	0.9
123.00888	1.2
123.04527	30.1
124.01640	1.2
125.02448	32.8
125.06053	2.1
125.86990	0.9
133.02931	3.2
135.04517	8.0
137.02429	12.2
137.06070	2.7
138.03203	1.5
139.04033	4.9
147.04504	2.2
149.02411	2.0
151.03976	6.0
153.05603	4.6
155.03513	1.4
161.02417	4.2
163.00334	1.1
163.04016	3.5
165.01913	2.0
165.05586	3.7
167.03494	46.3
168.03847	1.8
177.01955	3.5
177.05534	1.2
179.03485	12.9
181.05028	3.0
191.03499	4.6
193.05048	2.7
197.04550	15.0
205.05101	1.7
206.93829	1.0
209.04544	100.0
210.04865	3.7
211.06079	1.1
213.32600	1.1
218.09985	1.2
221.04538	5.4
223.05946	1.5
233.04607	2.3
235.02608	1.2
239.05591	76.2
240.05917	2.8
251.05569	4.4
266.63162	1.0
269.06638	28.2
277.03445	2.0
281.06592	3.3
295.22495	0.9
311.07773	7.7
322.19250	1.0
323.07687	1.2
329.08780	20.5
330.08960	1.7
341.08844	7.3
359.10056	6.1
371.07684	44.0
372.08057	1.9
383.07648	2.2
386.09726	1.4
401.08670	32.3
402.08856	3.4
431.09341	8.1
449.13617	12.1
473.11047	4.7
474.10815	1.3
491.11929	19.9
492.12457	1.9
503.12170	3.0
521.12891	4.1
593.15466	1.5
611.16193	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	610.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40688	0.5
59.01380	100.0
60.01744	0.7
61.98824	0.6
69.50542	4.6
71.01400	2.0
72.99303	0.7
80.05038	0.7
89.86029	0.5
92.14131	0.6
93.03488	0.7
94.06620	0.6
99.00884	0.7
101.02436	0.9
102.03478	0.5
104.05081	1.4
106.06633	6.7
108.04541	1.7
109.02937	0.7
113.02490	0.8
118.02972	0.6
120.08219	1.7
121.05335	26.6
122.06178	3.8
130.03001	0.6
130.06715	0.6
132.04546	35.9
133.02892	0.7
133.04965	1.1
134.06117	73.1
135.03006	0.9
135.04512	2.6
135.06471	2.1
136.07678	10.1
137.02434	1.5
138.05597	1.8
144.04550	13.1
145.05322	1.7
146.06099	3.5
147.03262	2.1
147.06902	1.7
148.07669	2.0
149.04822	2.4
150.05600	2.4
152.07173	4.4
155.03384	0.6
156.91090	0.6
158.02473	3.6
158.06114	7.7
160.04018	5.0
161.02449	2.2
162.05595	8.5
164.03543	1.2
164.07271	1.0
169.96329	0.7
172.04051	1.3
173.04814	0.9
174.05583	1.5
176.03519	18.0
177.03836	0.7
178.05025	1.1
179.03532	1.1
179.05873	0.7
184.04106	0.8
186.05606	0.9
188.03502	4.2
188.07135	0.6
189.04231	1.6
190.05083	11.7
191.05873	5.6
192.06647	2.3
194.08202	8.9
197.04471	0.8
202.05121	6.0
203.05876	9.1
204.06668	5.6
205.07285	0.7
207.09065	1.0
208.09940	0.8
211.08759	1.1
216.06621	2.2
217.07486	1.1
220.09908	0.7
221.07057	1.3
222.07904	0.6
223.08792	1.1
223.12381	1.1
224.09485	1.0
225.10272	1.4
227.11841	1.0
234.08006	1.2
235.08737	7.6
236.09392	3.8
237.10297	4.1
239.08185	4.4
240.20998	0.6
241.09741	1.2
247.08745	0.8
248.09758	0.8
249.06662	2.6
249.10297	7.6
250.11142	4.0
251.08405	2.7
251.11877	21.5
252.08862	1.2
252.12288	1.8
253.09866	1.4
254.10457	1.2
261.10251	1.0
262.07425	1.6
263.08243	12.2
263.11349	1.1
264.08884	3.8
265.06119	1.7
265.09760	3.1
265.13297	1.1
266.10321	1.0
266.14102	0.9
267.11227	1.6
269.13107	0.7
276.08881	0.7
277.06458	1.3
277.09775	8.6
278.07217	1.1
278.10522	6.3
279.07870	4.0
279.11340	43.7
280.08524	3.9
280.11865	4.3
281.09216	1.6
281.12723	1.4
282.09909	0.8
282.13538	0.7
291.07739	4.3
292.08469	1.9
293.06247	0.9
293.09286	5.9
293.12601	1.1
294.10046	6.4
295.07602	0.7
295.10834	16.8
295.14178	0.8
296.11261	1.8
297.12460	1.7
305.09308	7.9
305.12692	1.0
306.10089	5.6
307.07678	0.6
307.10840	3.4
308.08005	1.2
308.11395	0.8
309.08841	3.3
309.12427	11.6
310.09631	1.7
310.13129	3.9
311.10474	1.9
312.11017	1.5
321.12390	1.7
322.09424	0.8
323.10339	80.4
324.10782	6.2
327.13516	2.3
336.10989	1.0
337.11923	25.4
338.12665	30.2
338.66629	0.7
339.13284	4.1
341.11398	4.0
342.12085	1.4
344.13974	1.7
352.10641	4.2
353.11539	1.4
354.12125	4.8
355.13092	2.4
356.10049	0.6
358.15619	1.3
359.16174	2.0
365.11472	1.3
367.13055	0.9
368.13995	2.7
370.11606	6.1
370.15363	0.8
371.12231	0.9
382.15765	1.3
383.12424	31.1
384.12762	3.4
385.14154	1.1
386.15009	6.3
397.14053	21.3
398.14709	49.4
399.15033	4.4
400.16644	1.4
412.12967	1.9
413.82855	0.6
426.14395	1.6
427.15323	4.5
428.15826	1.6
430.13766	54.0
431.14105	5.8
434.20541	0.8
442.17761	5.7
444.15756	0.8
446.17160	0.6
458.20837	1.6
459.18042	2.6
460.18939	1.0
474.20361	17.2
475.20737	3.2
478.19833	0.8
486.16663	1.2
487.17307	1.7
492.21884	0.7
502.19742	6.3
503.20245	0.9
506.22916	71.2
507.23199	11.2
518.19354	1.8
519.19971	2.4
524.23535	1.1
534.22467	24.0
535.23022	3.3
538.21857	0.7
546.18774	3.6
550.21893	2.4
560.20386	0.7
566.25037	44.1
567.25330	6.9
578.21436	27.4
578.30841	0.9
579.21619	4.4
610.24005	76.0
611.24261	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	610.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	43.4
61.98849	1.7
71.65263	1.3
79.63535	1.0
103.00388	1.5
106.06627	6.5
119.79773	1.2
122.06108	7.9
132.04572	5.0
134.06119	43.1
135.06505	1.8
144.04549	3.0
148.07654	1.1
150.05618	1.2
152.07204	4.9
158.02448	3.5
158.06062	1.2
160.04045	4.5
161.02425	1.4
162.05588	1.2
172.04034	4.0
174.05597	2.2
176.03548	3.3
176.07219	1.5
190.05106	14.6
191.05695	1.7
194.08240	3.0
202.05057	1.8
203.05765	1.9
204.06664	2.2
215.11961	2.1
223.08737	3.0
224.09520	1.9
235.08746	4.2
236.09471	2.6
239.08255	1.5
239.11888	11.3
240.10196	1.9
241.13495	1.1
249.06815	1.2
249.10349	4.0
250.11020	3.3
251.11900	6.5
253.06207	4.1
253.09727	1.4
255.07777	1.2
255.11392	1.3
263.08157	3.0
265.09869	2.8
265.13403	1.5
267.07831	2.5
267.11301	2.3
268.08429	3.0
269.68005	1.0
277.09805	6.4
278.10425	1.9
279.08359	1.5
279.11258	6.5
280.08569	3.5
281.09250	2.7
283.10886	39.8
283.14029	2.2
284.11246	2.4
291.07614	1.1
293.09344	2.6
294.10056	3.4
295.10837	15.5
296.11523	2.3
305.09338	2.9
306.10043	4.5
307.10779	3.5
309.09085	2.1
309.12198	5.0
315.13431	1.5
321.08722	1.4
323.10306	5.1
328.14258	1.0
337.12015	5.6
339.13422	1.5
386.18976	2.5
387.16888	1.9
388.17245	1.4
397.14304	2.1
402.18127	3.9
402.22952	1.2
430.17712	29.4
431.18054	2.1
448.18982	1.5
456.15414	1.7
462.20340	7.6
474.16547	4.6
490.19803	43.6
491.20126	6.6
492.18082	1.5
506.19421	3.2
522.22357	7.6
524.20831	1.4
534.18805	100.0
535.19244	12.6
566.21405	66.0
567.21619	7.3
610.29181	1.4
611.26263	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	610.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.5
61.77781	0.9
69.48238	2.8
69.48663	4.4
71.01378	1.9
74.36157	0.9
78.05262	0.9
98.19770	1.4
101.02435	1.1
106.06654	5.5
122.06149	8.2
132.04568	3.8
134.06119	35.2
135.04518	1.4
144.04552	1.1
150.05606	2.1
152.07170	4.6
158.02412	1.3
160.04010	2.7
161.02377	1.4
162.05626	2.5
176.03516	2.5
184.07619	1.0
188.03503	1.0
190.05084	4.3
192.77077	0.9
194.08183	2.9
211.12346	1.2
215.11935	1.3
223.08807	2.3
224.09480	3.2
235.08771	2.1
236.09468	1.7
237.10272	1.5
239.11894	7.9
240.10338	2.0
241.09885	1.3
249.10304	3.8
250.11137	2.0
251.11909	6.9
252.10301	1.6
253.06189	3.6
253.10023	1.8
255.07613	1.8
263.08203	2.8
265.06036	1.5
265.09888	2.8
267.07727	4.0
267.11206	1.5
268.08511	3.1
277.09885	4.6
278.10553	2.8
279.07904	2.1
279.11383	4.0
280.08432	2.1
281.09430	1.8
283.10892	33.5
284.11188	3.5
291.07794	1.4
294.10132	3.4
295.10934	12.8
296.11368	1.9
305.09171	1.8
306.10217	3.0
307.11050	4.4
309.08942	2.0
309.12415	3.6
310.09460	1.2
323.10278	1.4
337.11639	2.1
358.19470	1.7
386.18491	1.3
387.16473	3.7
388.16867	6.0
388.47330	0.9
402.18237	3.8
428.16397	1.3
430.17682	28.6
431.17859	4.4
448.18600	3.1
456.15747	1.2
462.20474	1.2
474.16693	2.9
490.19839	37.1
491.20065	4.1
506.19180	1.6
516.18018	1.5
534.18811	100.0
535.19104	14.2
566.21295	10.6
567.21796	2.7
610.25757	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	609.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	16.9
70.93122	26.4
70.93457	13.8
116.92826	13.6
133.48712	11.3
166.35782	11.3
197.23543	11.3
279.23297	100.0
280.23618	12.5
283.97464	12.1
527.07227	12.2
618.81061	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	610.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99763	6.9
59.01375	14.0
60.92567	6.8
69.37258	55.6
71.01392	100.0
76.57205	6.0
80.69757	6.9
113.06097	93.7
115.00365	70.5
122.65590	6.4
133.01428	90.1
133.02962	12.2
135.04517	17.2
161.02518	9.5
197.04796	6.7
229.07233	35.5
256.07700	6.1
258.19299	7.2
367.26675	7.1
370.91669	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	610.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14305	1.3
59.01384	44.8
61.98835	18.2
71.01378	4.3
72.99294	5.5
73.02953	2.9
85.02938	2.8
88.98851	1.7
89.02439	3.6
90.14801	1.5
90.94006	1.4
95.05055	1.6
101.02451	3.2
104.92241	1.5
106.06612	4.1
113.02446	2.1
117.03445	1.7
119.05061	1.9
122.06120	7.4
123.04543	4.1
132.04543	2.0
133.02985	1.9
134.06134	27.0
135.04509	12.6
137.02429	1.9
145.02963	1.8
149.02444	1.5
152.07152	5.1
153.01999	1.8
160.04016	1.5
161.02448	5.0
161.04646	2.1
163.04022	2.1
177.09193	3.8
177.63820	1.5
179.03462	3.9
190.05128	2.0
194.08298	2.0
197.04544	3.5
211.04900	1.6
211.72285	1.4
212.23067	1.8
224.09489	4.3
230.53346	1.6
239.08214	2.9
239.11861	6.4
241.09949	2.4
251.11986	1.7
253.06107	2.7
253.09717	3.0
255.11484	2.0
267.07556	2.9
267.11301	1.7
269.04608	6.6
277.09723	2.7
279.11371	3.1
280.08325	4.1
281.09354	3.2
281.12985	2.4
283.10925	38.2
284.11212	2.3
295.10870	14.1
296.11392	2.0
305.09122	1.8
307.10895	2.1
309.12387	3.9
342.59338	1.4
355.08176	1.7
387.16763	4.4
388.16895	1.5
402.18195	2.4
430.17734	17.1
448.18713	2.0
464.17566	2.1
474.16739	3.1
490.19910	30.7
491.19928	3.0
505.33734	3.5
506.19342	2.3
506.33820	4.5
524.61462	1.6
534.18823	100.0
535.19098	14.2
566.21289	17.4
567.21649	2.7
610.28278	3.9
611.13855	4.7
611.28052	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	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03447	3.6
59.01382	73.6
61.98822	2.4
69.84184	6.7
71.01382	16.1
72.99310	4.1
73.02943	4.0
75.00870	10.9
76.49529	1.2
77.77882	1.1
80.50504	1.0
81.03477	1.4
83.01385	3.8
85.02962	9.9
89.02445	3.7
93.03464	2.9
95.01397	2.7
96.57399	1.1
98.30872	1.2
99.00883	2.9
101.02444	9.1
101.34198	1.2
105.29107	1.2
106.06640	2.7
106.55852	1.2
109.02985	1.8
113.02460	9.7
119.04997	2.5
120.44750	1.3
122.06104	3.0
133.02953	4.1
134.03787	1.6
134.06128	14.6
135.03004	37.5
135.04507	9.1
135.08138	1.7
137.02446	4.3
141.12813	2.1
143.03407	1.3
143.42604	1.3
145.02933	2.4
149.02437	1.3
150.03294	1.4
152.07167	3.3
153.01921	1.8
153.09161	1.8
160.01653	1.3
160.04088	1.3
161.02452	11.5
163.04019	3.8
171.13838	1.7
175.03993	2.9
179.03461	9.6
193.05145	1.7
194.08202	1.9
197.04543	2.7
198.15500	1.2
201.14935	3.7
208.69368	1.2
238.08734	1.5
239.11871	3.5
251.11891	1.5
254.08220	1.2
267.06625	2.2
282.07590	1.8
283.10794	7.8
295.10913	3.6
297.06171	11.7
306.09885	1.6
311.05649	3.1
314.10477	2.5
337.11639	1.2
359.28113	2.6
361.29626	11.5
400.43912	1.3
401.36099	1.2
430.17838	4.3
457.31680	1.6
461.16983	7.3
489.18439	1.2
490.19629	4.3
505.33844	100.0
506.19553	1.8
506.34052	13.0
521.19348	14.9
522.19513	3.7
523.34900	21.5
524.35236	3.1
534.19061	12.8
565.18976	2.1
565.35791	4.4
566.21442	29.3
609.29395	1.8
610.25018	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	609.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20844	0.7
57.03456	1.1
59.01379	100.0
65.57645	0.6
71.01383	4.8
73.02962	1.4
83.01385	1.4
85.02953	3.8
89.02419	0.9
89.24606	0.8
95.01414	1.2
97.97890	0.8
98.20614	1.7
101.02449	1.9
113.02441	4.1
143.03517	1.6
161.04485	1.2
299.26099	2.2
345.30051	8.4
430.88998	0.7
471.80261	0.7
489.34326	49.4
490.34756	5.9
507.35309	7.6
508.35864	1.2
533.04877	0.9
549.36633	2.5
550.37006	0.9
565.16846	0.7
609.26215	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	609.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35136	0.5
57.03453	1.0
59.01383	100.0
60.01711	1.2
61.98841	1.0
70.07870	0.4
71.01389	6.1
72.99320	2.4
73.02959	1.2
74.88544	0.5
80.96527	0.6
81.01300	0.5
83.01396	1.6
85.02946	3.3
93.03458	0.8
95.01382	1.2
97.02970	0.9
99.00869	0.7
101.02460	3.2
108.45768	0.6
113.02470	4.5
119.05006	0.6
121.65076	0.7
123.04560	1.0
125.02454	0.8
133.02960	0.8
134.06136	1.0
135.04510	3.9
137.02460	1.6
143.03513	1.6
145.02960	0.6
152.07263	0.8
161.02480	2.3
161.04573	1.1
171.14011	0.6
179.03520	2.3
180.56976	0.5
197.04539	3.3
203.21786	0.5
213.10239	0.6
299.25934	2.1
345.30115	7.8
359.09875	2.3
409.27878	0.6
459.33240	0.8
471.84933	0.6
472.15173	1.2
489.34329	48.5
490.34589	6.7
505.33548	0.6
507.35352	9.2
508.35840	1.0
549.36584	2.4
577.20953	1.7
609.23810	3.3
610.24188	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	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.5
59.01382	99.9
69.36660	12.0
69.37082	5.2
71.01382	28.5
72.99313	40.2
73.02950	7.5
83.01395	4.8
83.05029	1.9
85.02949	17.8
87.00851	2.1
89.02441	10.2
95.01376	4.2
99.00895	2.4
101.02466	10.2
107.05031	3.7
108.22945	1.8
109.02966	2.8
109.06612	2.4
113.02460	19.8
114.28844	2.0
118.16409	2.0
119.03465	4.7
123.04503	14.4
128.24239	1.8
133.02954	3.4
135.04529	31.5
137.02409	2.5
143.03488	2.8
145.02910	2.6
161.02422	6.4
161.04565	4.0
166.99773	2.1
177.09190	8.2
179.03499	28.1
182.02145	2.7
197.04547	59.2
198.04842	3.1
201.15044	2.0
207.10291	5.3
239.09361	2.5
359.09814	39.1
360.10049	2.7
361.29745	11.7
387.16556	25.0
411.16348	2.4
417.48587	2.0
505.33792	100.0
506.34116	15.4
523.34888	23.5
524.35052	3.7
565.35944	5.6
609.24927	36.3
610.23621	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	609.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.5
59.01383	51.9
61.98814	1.8
71.01389	16.3
71.62697	0.9
71.63062	0.9
72.99309	67.9
73.02918	3.2
75.00863	1.0
81.77859	1.0
83.01366	2.6
85.02957	9.2
87.00854	1.1
89.02454	5.1
93.03434	1.1
95.01357	2.8
96.95984	1.6
97.02927	1.0
99.00874	1.2
101.02425	6.6
107.04979	2.7
109.02905	2.4
109.06580	1.4
113.02445	11.7
119.03462	2.0
121.02870	1.1
123.00919	1.6
123.03730	1.4
123.04529	21.6
129.55563	0.9
134.03693	1.3
135.04524	45.2
136.04823	1.4
138.03156	1.3
143.03430	1.7
148.68330	0.8
151.03957	2.8
161.02341	3.0
161.04471	1.3
166.99796	1.6
177.09178	2.1
179.03502	44.9
180.03723	1.7
182.02188	5.6
187.11104	1.4
197.04552	100.0
198.04886	5.1
201.14883	0.9
205.12192	1.1
207.10005	1.2
219.45743	1.1
223.13197	1.2
267.12173	1.4
359.09848	78.0
360.10284	6.3
361.29565	7.1
362.29547	1.2
387.16611	6.0
411.16260	3.3
490.57513	0.9
505.33853	55.9
506.34167	8.5
523.34979	14.7
524.34760	2.1
534.18079	1.2
549.19189	1.3
565.35144	2.5
609.21588	53.8
610.21722	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	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65783	0.5
54.90590	0.5
55.22251	0.5
59.01381	7.8
61.98833	7.6
63.96215	1.0
71.01389	7.2
72.99309	0.6
73.02950	1.5
78.95909	3.1
78.98595	5.5
79.95741	9.2
80.96517	56.0
81.03463	0.7
83.89476	0.6
85.02953	3.2
87.00875	3.0
89.02444	0.5
94.62862	0.6
94.98093	13.9
95.01406	0.9
96.96026	1.1
96.96928	0.6
97.02940	1.5
98.20621	1.2
99.00869	0.5
101.02409	2.8
106.98079	2.8
109.02953	0.6
113.02400	0.7
116.92887	0.6
117.03449	0.6
122.97595	2.6
125.02428	2.7
127.03983	0.6
133.02953	1.8
134.97597	4.2
135.04510	2.0
136.99133	1.1
137.02441	4.9
137.93222	0.5
145.02963	1.5
148.99132	4.2
152.98553	4.9
152.99625	2.3
161.02444	6.4
164.98630	10.2
179.03395	0.8
197.11844	0.8
206.99701	2.1
225.00739	13.6
232.61432	0.6
241.01149	1.1
259.94363	0.5
286.26102	0.6
293.21240	1.8
299.04364	2.0
438.15503	0.5
489.34384	1.7
507.35602	0.6
609.25873	100.0
610.26208	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	609.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23828	0.6
57.03450	1.1
58.00594	1.4
59.01380	74.3
60.13658	0.6
61.98819	0.8
69.03455	1.2
69.55188	5.4
71.01389	14.9
72.99316	1.5
73.02959	1.7
75.23599	0.7
81.03478	2.1
83.01393	1.3
83.05043	2.0
85.02940	3.8
89.02447	12.5
93.03488	1.7
95.01391	1.7
95.05019	6.0
98.19733	0.7
101.02441	10.6
109.02985	0.9
109.06568	3.8
113.02434	6.5
116.34808	0.6
119.03558	4.0
119.05007	1.1
123.04544	2.1
130.41704	0.7
133.03011	1.2
133.06607	0.7
135.04510	9.0
135.08195	2.2
137.06126	1.0
141.05585	0.8
145.02939	0.9
149.04640	0.6
153.05487	0.8
161.02437	1.2
163.11296	7.0
175.07610	1.2
177.09222	8.3
179.03392	1.6
195.10216	2.3
197.04584	1.3
207.10262	14.2
221.08313	1.0
225.11365	1.5
239.09230	5.1
258.52301	0.7
285.03998	4.7
294.73630	0.8
320.80634	0.9
359.09659	0.9
361.29376	1.1
369.15704	1.5
387.16586	100.0
388.16940	7.1
447.09396	1.3
505.33926	2.7
523.34546	1.6
547.21899	1.4
591.24243	1.1
609.25470	81.8
610.25824	13.0
618.17181	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	609.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47139	0.9
59.01382	70.1
60.01717	1.1
62.91499	0.8
71.01376	10.9
72.99303	1.1
73.02946	0.9
81.03465	2.4
83.01389	1.3
83.05022	3.0
85.02949	2.2
89.02447	9.1
95.05017	6.4
97.02992	1.2
98.36534	0.9
99.00867	0.8
101.02451	9.9
109.06618	4.9
111.04507	1.3
113.02446	4.3
119.03528	4.3
123.04549	1.4
132.47871	0.8
135.08173	1.3
141.05473	1.1
163.11304	8.5
175.07620	1.6
177.09218	10.8
181.12367	1.0
195.10251	2.9
207.10265	15.0
221.08287	1.1
222.67664	0.8
229.64203	1.0
239.09238	3.3
240.52469	0.9
249.83524	0.9
369.15619	1.2
382.31717	1.1
387.16614	65.3
388.16904	4.3
447.20245	1.0
609.25525	100.0
610.25781	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	609.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67920	1.4
58.97937	1.5
59.01388	12.0
68.99821	7.2
69.50262	3.0
69.50658	12.5
79.95744	1.9
93.03504	2.0
107.83961	1.7
115.05563	2.3
117.03468	17.5
119.05029	64.7
120.05411	2.1
131.72577	1.7
133.02959	2.3
143.05011	30.9
144.05298	1.7
145.02959	51.7
146.03308	1.8
161.02492	2.0
163.04016	100.0
164.04390	3.5
177.81551	1.5
187.04004	67.6
188.04391	3.4
224.72598	1.7
461.21817	13.3
462.22144	2.7
479.22778	3.8
521.23859	17.9
630.34937	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	609.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45901	1.4
52.45997	1.6
59.01140	1.4
59.01387	21.9
61.98815	3.1
64.54745	1.4
68.99831	1.6
71.41096	2.3
72.99312	1.7
117.03477	37.1
119.05035	19.3
133.02921	5.5
135.04564	3.1
143.04991	6.8
145.02956	100.0
146.03294	5.4
161.02428	14.4
163.04005	30.5
187.04016	16.6
188.04251	1.5
309.04169	2.7
324.06335	2.4
398.11813	1.6
429.09753	1.8
461.21423	2.8
521.23859	25.1
522.24493	3.6
609.25934	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	609.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83990	0.6
55.87604	0.6
59.01381	48.8
61.98818	0.7
62.66239	0.5
64.13474	0.5
69.50188	4.3
71.01374	2.2
72.99301	2.5
73.02930	1.1
85.02950	1.1
94.06625	0.7
99.92554	0.9
101.02435	1.1
103.00383	1.0
106.06634	6.6
113.02473	1.0
116.92854	6.7
117.03466	0.9
119.05024	0.9
122.06110	4.8
123.04511	1.6
134.06125	38.3
135.04538	3.0
135.06427	0.6
143.03517	0.9
145.02905	1.3
152.07152	5.8
157.92419	0.5
158.06064	0.7
161.02422	2.2
166.37352	0.5
178.63837	0.6
179.03516	3.1
194.08211	1.2
194.09798	0.8
196.07684	1.2
197.04520	3.7
198.09245	0.6
206.09703	0.5
210.09212	2.1
222.09229	2.1
223.06326	5.1
224.06938	0.8
224.10588	0.6
225.08017	0.8
236.07132	2.2
238.08691	6.7
239.05756	1.1
239.09294	0.7
249.04242	0.6
249.07962	1.7
250.08612	2.9
251.05769	0.9
252.06610	0.7
254.08125	2.7
263.05524	0.6
264.06662	1.7
264.10266	1.8
266.08221	1.9
267.05310	1.2
267.08917	0.9
268.09839	2.0
270.11307	10.0
271.05914	0.7
276.06622	0.7
279.05301	0.8
280.05975	1.0
281.06714	0.6
282.07715	7.0
282.11307	3.0
294.07837	3.7
296.12881	2.4
308.09418	0.9
314.10376	4.8
315.10904	0.8
315.14722	0.6
322.10867	0.9
326.10342	2.0
327.11172	3.0
329.16629	1.0
340.11700	1.6
341.12918	1.2
341.16623	2.4
342.13596	1.3
343.14490	1.2
345.29947	1.3
355.10736	0.9
357.12180	0.9
357.16122	3.4
359.09772	2.7
370.13275	1.4
373.15588	1.3
385.15558	3.8
389.18793	3.1
401.15030	2.1
417.18185	20.3
418.18430	2.5
429.14584	1.7
433.17471	1.2
435.19614	0.8
443.16428	0.6
447.25833	1.0
461.17200	5.3
477.20398	15.5
478.20663	2.7
479.18362	0.8
487.15353	0.9
487.34448	1.0
489.16650	2.3
489.34247	9.7
505.16238	6.1
505.34125	2.7
505.39963	0.6
506.16483	1.2
507.35431	2.3
521.19232	12.6
522.19629	1.6
523.17285	4.5
523.34662	0.9
524.17407	0.7
537.18585	1.3
547.17157	3.4
549.37238	0.8
565.18250	100.0
566.18524	17.7
609.22974	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	609.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15139	2.9
55.77648	2.1
59.01086	3.8
59.01381	59.9
61.97626	2.0
63.42379	2.2
65.01161	1.9
69.22174	2.0
69.33929	22.1
71.01390	4.4
72.99313	7.8
80.96521	2.7
88.92473	2.5
93.03487	3.3
98.19896	4.8
101.02415	3.3
106.06629	6.7
113.02456	2.9
122.06103	12.1
127.91101	2.2
133.02979	3.7
134.06120	68.5
135.04552	11.9
135.06476	3.3
137.02420	6.5
142.62010	2.3
152.07172	7.1
160.01697	4.4
160.07777	2.6
161.02472	13.9
172.40025	2.4
175.03983	3.5
178.88770	2.3
179.03534	6.3
191.82312	2.4
196.07565	2.4
197.04539	5.9
210.09235	3.0
211.05887	2.3
222.09212	3.9
223.06305	12.8
238.08751	8.1
250.08723	5.1
254.08168	3.4
270.11377	18.3
282.07684	12.3
282.11304	10.5
296.12875	6.2
314.10114	2.4
327.11362	4.1
329.16565	4.2
341.16516	3.6
357.16068	6.0
365.81747	2.6
385.15738	4.0
389.18594	5.0
417.18210	89.3
418.18430	12.4
435.19138	3.5
461.17181	9.8
477.20316	100.0
478.20630	14.1
489.16522	9.7
489.34528	3.2
505.33890	6.1
521.19269	37.3
522.19672	2.5
565.18402	6.6
572.03320	2.5
609.24481	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	609.1466
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
52.65609	0.7
59.01379	5.7
61.98841	0.7
65.00329	1.4
69.86429	3.1
69.86844	1.4
71.01372	2.4
71.66431	0.7
72.10769	0.7
73.02924	1.0
75.11899	0.6
83.01426	1.4
89.02450	1.5
93.03481	0.9
95.01407	0.9
98.20634	0.9
101.02442	3.1
107.01390	2.6
108.02146	1.1
109.02940	2.2
113.02428	1.1
117.05682	0.7
119.05027	1.1
121.02950	2.0
123.04576	0.7
125.02427	0.7
133.02765	0.7
135.04500	2.1
137.02425	1.1
147.03064	0.7
147.04488	0.7
148.01700	1.2
151.00381	9.9
152.01060	0.8
161.02472	2.1
163.00363	2.6
163.03960	1.2
165.01961	0.9
171.91501	0.7
178.99860	5.0
179.03505	1.1
179.10690	1.5
195.06825	0.9
199.09790	0.7
206.95169	0.7
209.11830	0.7
211.03946	0.9
216.04170	1.0
226.02657	2.2
227.03407	3.4
243.02989	9.0
244.03493	1.0
245.04576	1.1
254.02197	2.6
255.02985	32.1
256.03482	1.8
269.04501	6.9
270.04889	6.6
271.02487	57.7
271.05121	5.2
272.02994	5.6
285.03818	1.0
294.84607	0.7
299.02029	1.3
300.02753	97.8
301.03476	31.9
302.03934	1.1
343.04367	1.2
429.17603	5.7
447.12085	1.5
565.28796	1.8
581.08301	0.9
609.14612	100.0
610.15009	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	609.1613
Annotation	4'-O-Methylcarthamidin 7-(2-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
51.63058	0.6
59.01381	17.0
59.53358	0.7
69.03439	0.8
71.01391	6.8
71.65316	0.9
71.65697	0.7
72.99316	4.3
73.02944	2.1
83.01404	1.3
85.02959	4.0
89.02467	1.3
90.24516	0.6
93.03460	21.8
95.01388	1.7
95.05043	1.2
96.99346	0.9
101.02457	5.3
108.02171	1.1
113.02441	4.8
116.76498	0.7
117.03456	2.1
119.05027	100.0
119.87392	0.6
120.05373	3.6
121.02946	1.5
134.03654	0.8
134.06133	4.3
135.04523	6.6
135.06367	0.9
136.01619	1.4
137.02446	31.4
138.02800	1.1
141.01941	0.9
141.86739	0.7
142.77208	0.8
145.02946	12.2
146.03279	0.9
149.02429	1.3
150.03246	1.9
150.33496	0.8
151.77385	0.6
159.03008	1.1
163.04008	70.2
164.04358	2.2
165.05556	2.0
177.09201	1.7
178.80965	0.9
179.03479	2.0
181.05057	23.1
182.05527	0.7
191.03531	1.0
195.06589	1.5
197.04570	2.3
225.11293	0.7
239.09271	2.1
240.09698	0.8
250.07610	0.9
251.07933	1.0
252.08447	0.8
265.09750	0.9
266.10141	0.9
277.09814	1.3
278.10132	0.8
281.03525	1.4
281.06662	24.6
281.09149	0.9
282.07047	1.5
285.04169	1.2
293.09143	3.5
294.09631	3.7
295.10809	1.1
305.09143	0.7
306.09744	1.2
307.06146	0.9
319.10498	0.7
322.08426	0.9
327.08826	2.6
343.10233	1.2
353.10214	3.8
361.29767	1.1
413.17014	0.8
430.17776	1.0
441.16653	1.1
445.11377	87.3
446.11783	9.8
463.12442	44.7
464.12646	4.7
490.19891	1.0
501.18243	2.0
505.33887	7.8
523.34662	1.5
534.18896	4.1
538.33624	0.7
544.17401	2.2
545.17462	18.3
545.25598	1.1
546.17651	1.5
547.58435	0.7
565.20111	2.7
566.21527	1.4
577.19806	1.7
609.15881	12.5
609.28784	3.0
610.16608	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	609.161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87986	1.5
59.01382	52.6
60.01717	3.3
69.36469	15.4
71.01385	7.2
72.99302	3.4
73.02943	2.4
85.02944	5.0
87.00893	1.6
93.03449	20.5
95.01381	1.7
95.05030	2.1
97.19092	1.4
101.02456	6.7
106.06621	5.3
107.05019	2.1
110.07289	1.5
113.02444	4.1
114.02692	1.8
117.03477	2.8
118.41982	1.6
119.05028	100.0
120.05372	2.9
122.06126	4.8
123.04494	3.7
123.18710	1.6
134.06119	19.7
135.04546	11.7
135.06462	5.7
137.02441	27.4
138.02766	1.9
141.01962	2.6
145.02969	11.5
149.02457	2.4
150.03217	4.7
151.03857	1.6
152.07161	4.5
153.07520	2.1
159.02934	2.8
161.02437	1.8
163.04007	62.9
164.04297	3.7
165.05594	7.3
166.99841	1.9
169.42526	1.6
177.09190	5.0
179.03522	5.1
181.05057	16.5
195.06696	2.8
197.04509	4.6
218.71269	1.7
226.11786	2.0
230.33371	1.7
239.09290	4.4
240.09470	3.5
250.07365	2.0
254.10123	2.5
265.09946	2.4
266.06729	4.6
266.09970	1.9
267.07117	3.4
277.09476	1.7
278.06851	4.6
279.07117	5.6
280.08401	3.0
281.06598	21.5
281.09332	15.2
282.09708	17.1
285.04156	2.4
292.08557	1.7
293.09305	17.0
294.09698	21.2
295.10367	2.3
307.06177	3.3
307.10892	2.7
308.11136	3.9
313.11993	3.2
313.68762	1.8
314.12302	4.2
322.08521	2.1
326.12448	2.4
327.08722	3.5
337.11597	1.9
353.10004	7.6
358.11313	2.7
401.16888	3.9
429.16364	4.6
433.20129	3.0
445.11374	90.6
446.11716	8.9
461.19269	5.1
463.12430	28.1
464.12723	2.5
488.18127	3.1
489.18594	20.6
501.18381	2.7
502.16537	2.3
504.32632	4.5
505.18051	5.3
505.33728	10.4
521.21118	8.9
523.19043	3.5
523.34338	3.3
533.17621	6.8
534.18494	4.6
544.17267	3.3
545.17535	26.4
547.19373	3.1
564.20026	5.4
565.20160	91.1
566.20349	11.7
577.20013	2.7
609.16205	7.9
609.28900	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	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.9
59.01380	87.9
61.98819	4.6
69.03458	4.0
69.58435	3.3
71.01384	26.2
72.99326	6.1
73.02936	5.8
81.03447	6.2
83.01403	2.7
83.05038	3.0
85.02962	11.7
87.00856	4.6
88.98815	6.0
89.02448	8.5
95.01460	3.5
95.05038	5.1
96.96001	7.8
97.60455	2.5
98.19862	4.4
101.02445	13.3
101.08112	2.6
108.02149	2.5
109.02965	7.0
113.02455	18.5
119.05040	4.6
121.02964	4.1
123.04528	9.4
132.02138	2.9
133.02956	30.7
135.04555	14.2
141.01932	15.1
151.04010	32.8
155.10738	3.4
159.03008	9.0
161.01103	5.2
161.02446	100.0
161.04469	4.8
162.02815	3.5
163.04012	6.0
175.03951	2.7
177.01942	3.3
177.09181	11.9
179.03456	6.7
195.10226	9.9
197.04491	4.3
205.47505	2.4
221.08220	2.8
224.26662	2.7
225.11285	7.2
239.09224	32.7
247.80714	2.9
267.06708	6.0
275.60904	2.6
313.07294	12.3
359.27896	4.9
361.29666	12.3
445.13654	8.4
503.32257	61.9
504.32574	11.2
521.33344	18.6
558.98669	3.0
563.34241	5.4
606.72736	3.2
607.17609	5.3
607.27740	22.6
607.38324	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	608.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66298	0.8
59.01381	51.5
60.01712	1.4
63.42867	0.8
63.94160	1.0
69.37602	6.1
69.38017	2.9
71.01368	2.7
73.02956	1.8
85.02943	2.3
89.02417	1.0
95.04991	1.1
98.19846	2.0
101.02460	1.6
103.00379	2.3
106.06615	6.0
106.07224	0.9
107.03755	1.1
113.02438	3.0
114.51967	1.0
118.92382	1.0
119.04958	2.2
122.06120	4.9
123.79222	1.2
134.06119	25.5
135.04509	2.2
141.01929	2.2
141.29884	0.9
152.07178	5.1
159.03026	1.6
163.04013	2.3
171.13441	1.1
177.09177	2.2
194.08258	1.9
209.10652	1.0
222.07936	1.2
224.05887	1.2
237.06694	1.5
237.10382	1.2
238.07275	1.3
239.09175	3.0
240.09552	2.9
250.07388	1.7
251.08316	3.1
252.05356	1.7
252.09091	1.6
253.09810	5.2
263.08276	2.3
265.06268	5.1
265.09708	3.4
266.06961	8.4
267.11441	1.8
277.06384	1.0
277.09845	1.6
278.06979	4.2
278.63263	0.9
279.07748	2.9
279.11462	1.1
280.08502	2.1
281.09320	31.7
282.09579	2.5
292.08627	2.6
293.09351	25.3
294.09854	3.3
307.10956	7.0
313.11877	9.2
325.11978	3.1
339.13538	2.3
353.10397	1.4
356.10110	1.2
357.10986	1.1
370.11557	1.3
396.13181	1.3
400.16589	3.9
428.16238	7.0
432.19458	1.5
445.11316	2.1
460.18738	8.4
463.12628	1.5
486.16455	1.3
488.18268	25.3
489.18365	2.5
503.32132	7.9
504.17917	5.7
504.32623	9.1
520.20728	9.6
521.20935	2.2
521.33160	1.4
522.18750	4.8
522.33588	3.5
532.17310	9.7
533.17358	2.1
536.19910	1.2
544.17273	3.5
546.18817	3.5
547.18549	1.0
564.19855	100.0
565.20325	13.1
579.68353	1.2
608.27997	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	607.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01382	25.2
60.54310	0.6
61.98844	1.6
66.92036	0.6
67.01891	0.7
68.99870	0.5
69.03459	3.6
69.44698	4.3
71.01389	7.0
72.99332	0.6
73.02943	1.9
81.03455	10.7
83.01398	1.0
83.05026	12.0
85.02958	4.7
87.00870	0.6
88.98837	0.6
89.02471	3.0
91.72916	0.6
93.03460	2.8
95.01404	0.9
95.05025	22.7
96.96012	1.1
97.02953	0.9
99.04530	0.6
101.02445	4.1
107.05050	2.1
109.02949	1.8
109.06586	12.3
110.06938	0.7
113.02427	3.5
119.03474	0.7
119.05015	1.0
121.02925	1.2
121.06574	1.6
123.04530	6.7
131.05040	0.8
133.02919	0.7
133.06598	1.2
135.04527	1.7
135.08180	7.8
138.06837	0.9
141.01912	0.9
141.05574	2.6
147.04469	0.8
149.06050	0.8
151.07701	0.9
152.08395	1.2
153.09239	3.8
159.02966	1.3
159.08142	4.5
161.02431	2.9
161.06087	2.0
175.07635	4.1
177.01897	0.7
177.09207	54.8
178.09526	3.0
179.03485	1.2
179.07170	1.5
195.10225	2.1
205.12320	2.4
221.08170	9.8
222.08591	0.6
223.13380	0.7
226.85722	0.7
237.62604	0.6
239.09256	5.0
398.65967	0.6
503.32254	6.8
504.32193	0.9
521.33252	1.4
606.38416	0.7
607.27594	100.0
608.28003	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	607.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
58.00578	1.1
59.01382	100.0
69.03466	3.7
69.37408	11.2
70.22237	1.1
70.88945	1.3
71.01376	13.5
72.99311	1.2
73.02941	4.4
80.16589	1.1
81.03460	3.6
83.01394	2.9
83.05041	2.5
85.02957	13.6
87.00900	3.0
88.96934	1.2
89.02457	4.9
92.98895	1.2
95.01385	2.9
95.05025	6.9
96.96045	1.1
97.02977	3.3
97.06609	1.8
99.00903	2.2
101.02437	6.2
103.97311	1.1
106.06621	3.9
109.02954	2.0
109.06593	5.3
111.00928	2.1
113.02468	11.6
119.05064	1.3
122.06125	2.8
123.04503	2.3
129.01973	1.9
134.06133	20.6
135.04523	3.4
135.08180	3.6
141.01944	26.9
143.03465	1.5
152.07155	4.4
153.09227	1.4
159.02997	18.1
161.02414	2.0
177.09204	17.1
195.10245	14.3
221.08189	3.2
225.11319	17.8
235.08800	1.3
238.07332	1.8
239.09254	60.2
240.09543	2.4
249.06548	1.4
250.07457	1.5
251.08340	2.2
253.09827	1.5
263.08185	1.6
265.06082	2.4
265.09729	3.8
266.06934	4.4
267.11496	1.4
277.09799	1.4
278.07010	4.9
279.07675	2.2
281.09326	18.2
293.06332	2.2
293.09360	22.0
307.10919	2.9
313.11926	4.1
325.12021	3.4
339.13458	2.3
359.28052	4.1
381.11932	5.6
400.16776	1.6
413.13663	1.9
428.16406	3.2
451.45346	1.2
460.18835	6.9
462.07196	1.3
488.18359	13.4
500.18185	2.5
503.32260	40.8
504.17737	3.1
504.32407	5.1
520.20612	7.0
521.33380	12.7
522.18842	3.3
532.17438	7.7
544.17163	19.8
563.34180	2.7
564.19873	63.0
607.27588	24.0
608.28412	2.7
617.21930	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	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78631	1.1
59.01127	1.5
59.01379	18.1
61.98829	7.7
62.11487	1.2
65.72009	1.3
68.99818	4.2
71.01379	1.6
73.02920	1.4
78.95929	1.5
86.50015	1.1
93.03472	2.1
117.03468	34.8
119.05022	63.5
120.05312	1.9
133.02963	1.9
143.05028	26.3
145.02957	100.0
146.03325	2.4
152.99635	2.1
163.04007	81.3
164.04324	3.7
179.03395	1.5
179.42424	1.3
184.53456	1.2
187.03999	47.2
188.04384	2.3
243.77354	1.3
291.19580	1.4
417.18863	1.3
459.20184	14.7
460.06729	1.6
460.20178	2.8
477.21124	3.5
519.22284	28.7
520.22784	3.1
607.24872	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	607.2445
Annotation	Tiliasine
Peak:m/z	Relative Intensity
50.63423	0.6
59.01380	4.8
61.98832	9.8
63.96231	0.9
69.03461	0.9
69.39503	4.6
70.26263	0.5
71.01385	7.7
72.99320	0.8
73.02950	1.4
78.60627	0.5
78.92268	0.5
78.95881	1.1
78.98589	4.4
79.95739	14.4
80.96519	59.7
85.02936	3.0
85.25273	0.5
87.00877	2.1
89.02425	0.7
94.98093	11.7
95.01385	0.7
96.96018	1.7
97.02959	1.4
98.19872	0.9
99.00885	0.9
99.71700	0.5
101.02441	2.4
106.98106	2.6
108.02191	0.7
109.02959	1.4
113.02434	0.7
116.14688	0.5
116.92846	1.2
117.03445	1.6
119.04996	1.7
122.97593	3.3
124.81958	0.5
125.02441	3.0
127.03985	1.0
133.02974	4.1
134.03323	1.0
134.97600	4.1
135.04512	1.9
136.99132	1.6
137.02458	1.9
138.06779	0.5
143.04982	0.8
145.02965	3.9
148.99136	5.0
152.98611	4.6
152.99614	0.6
161.02455	15.7
161.04523	0.9
162.02780	6.0
163.02927	2.1
163.04008	1.8
164.98634	9.6
178.32744	0.6
179.03447	1.9
187.03995	1.4
200.01642	0.6
206.99648	1.7
225.00758	13.2
291.19678	1.6
299.04236	2.6
313.07108	1.9
314.07513	2.1
315.04306	0.7
315.07819	2.1
360.47601	0.6
371.06360	0.9
400.17062	0.7
427.13104	0.6
563.23944	0.7
607.24304	100.0
608.24622	13.4
608.34070	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	607.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20976	0.8
59.01381	16.2
69.49657	5.3
69.50077	1.9
71.01374	5.0
72.99307	56.3
73.02945	5.9
73.98323	1.3
83.01382	1.6
85.02936	2.3
87.00864	1.3
89.02454	3.0
95.29034	0.9
96.96008	1.6
101.02455	3.5
101.03100	0.8
103.04051	1.8
107.05041	1.7
109.02954	2.2
109.50493	0.9
113.02505	1.7
117.03456	1.8
117.49580	0.9
119.05019	1.1
121.02992	1.4
123.04536	19.7
132.02188	1.3
133.02965	3.6
134.03766	7.5
135.04529	100.0
136.01645	1.9
136.04846	3.3
137.02449	2.8
145.02992	1.4
147.04504	1.9
151.00357	1.2
151.04031	7.4
159.04469	1.4
160.01675	6.9
160.05289	1.8
161.02464	10.1
161.04552	1.0
163.04037	1.7
166.02733	3.5
167.03462	0.9
175.04016	11.7
175.07634	2.0
177.01921	2.7
178.02773	1.8
179.03513	44.6
180.03827	1.9
181.05058	3.1
193.05066	3.7
197.04559	63.3
198.04958	2.7
217.04785	0.9
233.08188	1.8
239.05705	1.3
269.04440	1.1
309.20914	1.5
329.13757	1.2
337.09180	9.8
341.08850	4.5
341.13919	2.2
355.11646	2.2
358.92667	0.9
359.09991	1.4
359.20728	1.3
383.07672	2.0
383.18964	1.5
385.12991	2.2
388.11420	1.5
401.16086	3.2
403.14001	8.6
413.10770	1.4
427.12439	4.0
427.17935	2.6
431.11780	3.3
445.13507	97.7
446.13776	9.6
473.14554	4.0
517.13397	5.9
525.21002	1.2
535.14758	3.3
589.15283	1.3
607.16901	4.8
607.24921	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	607.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20976	0.8
59.01381	16.2
69.49657	5.3
69.50077	1.9
71.01374	5.0
72.99307	56.3
73.02945	5.9
73.98323	1.3
83.01382	1.6
85.02936	2.3
87.00864	1.3
89.02454	3.0
95.29034	0.9
96.96008	1.6
101.02455	3.5
101.03100	0.8
103.04051	1.8
107.05041	1.7
109.02954	2.2
109.50493	0.9
113.02505	1.7
117.03456	1.8
117.49580	0.9
119.05019	1.1
121.02992	1.4
123.04536	19.7
132.02188	1.3
133.02965	3.6
134.03766	7.5
135.04529	100.0
136.01645	1.9
136.04846	3.3
137.02449	2.8
145.02992	1.4
147.04504	1.9
151.00357	1.2
151.04031	7.4
159.04469	1.4
160.01675	6.9
160.05289	1.8
161.02464	10.1
161.04552	1.0
163.04037	1.7
166.02733	3.5
167.03462	0.9
175.04016	11.7
175.07634	2.0
177.01921	2.7
178.02773	1.8
179.03513	44.6
180.03827	1.9
181.05058	3.1
193.05066	3.7
197.04559	63.3
198.04958	2.7
217.04785	0.9
233.08188	1.8
239.05705	1.3
269.04440	1.1
309.20914	1.5
329.13757	1.2
337.09180	9.8
341.08850	4.5
341.13919	2.2
355.11646	2.2
358.92667	0.9
359.09991	1.4
359.20728	1.3
383.07672	2.0
383.18964	1.5
385.12991	2.2
388.11420	1.5
401.16086	3.2
403.14001	8.6
413.10770	1.4
427.12439	4.0
427.17935	2.6
431.11780	3.3
445.13507	97.7
446.13776	9.6
473.14554	4.0
517.13397	5.9
525.21002	1.2
535.14758	3.3
589.15283	1.3
607.16901	4.8
607.24921	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	607.167
Annotation	Isocytisoside 7-O-glucoside
Peak:m/z	Relative Intensity
57.01030	1.0
57.03442	0.8
57.17208	0.7
59.01377	4.0
61.48421	0.7
68.99822	0.7
70.85016	0.8
71.01373	5.0
73.02950	2.1
83.01402	1.4
85.02946	1.7
89.02452	0.9
93.03460	18.9
93.87632	0.7
95.01394	2.1
96.96078	0.7
101.02442	4.7
109.02972	1.2
111.00874	1.8
113.02446	2.8
116.92873	0.7
117.03466	2.2
119.05026	78.1
120.05355	2.8
121.02957	2.9
122.69866	0.7
131.05026	0.7
132.05794	2.4
133.02983	0.8
133.06586	8.9
137.02449	35.8
138.02809	1.3
145.02963	11.8
145.43645	0.7
147.04489	1.4
149.02582	0.7
151.04041	0.8
152.91696	0.8
159.04443	1.1
161.02460	1.2
161.04709	1.5
161.06081	16.1
162.03128	1.2
162.06415	1.3
163.04007	60.5
164.04370	3.1
177.05524	0.9
179.03500	1.4
187.04079	1.3
205.05046	12.6
206.05318	0.9
229.01476	1.1
245.17317	0.8
269.04678	0.9
281.06671	27.4
282.06998	1.9
337.60983	0.8
445.11383	100.0
446.11740	10.6
487.12466	18.4
488.12643	2.9
499.12390	3.1
557.19733	1.0
563.27173	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	607.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
59.01373	7.1
61.98841	1.0
66.39958	0.9
71.01388	10.7
71.62611	1.2
72.99305	3.3
74.62372	1.0
76.74727	0.9
83.01395	2.2
84.77348	0.9
85.02962	3.5
87.86865	1.0
89.02468	1.4
93.03461	20.5
99.00906	1.5
101.02451	5.7
109.02940	1.1
113.02441	3.6
117.03445	3.2
119.05028	88.2
120.05365	2.3
121.02998	2.5
123.04491	2.0
132.05847	1.7
133.03003	2.5
133.06615	7.6
134.03751	3.4
135.04510	6.0
136.01639	1.8
137.02448	41.4
138.40860	1.0
140.62016	1.0
144.58714	1.2
145.02950	13.5
146.03654	1.2
147.04507	4.2
157.02931	4.4
159.04485	2.5
161.02460	6.4
161.06056	10.0
163.04002	49.9
164.04369	3.2
167.03471	1.4
175.03987	1.5
177.05528	1.1
179.03537	4.6
190.15067	1.0
193.05051	4.5
197.04604	2.0
205.05067	7.7
209.11827	1.3
229.01410	26.6
230.01802	1.8
265.05017	1.2
266.05869	3.0
269.04599	6.1
281.06635	43.7
282.07059	2.1
285.03998	4.1
294.05301	2.9
309.07632	3.4
353.06604	9.4
365.06503	1.1
373.43918	1.1
401.11642	1.7
403.13791	2.3
445.11374	100.0
446.11646	10.1
487.12424	12.4
499.12247	1.6
517.77167	1.2
563.17706	1.3
563.26758	1.8
607.22260	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	607.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12563	0.2
53.17607	0.2
53.79413	0.2
54.44924	0.2
55.01856	0.2
57.03431	0.3
59.01382	1.6
63.02105	0.3
63.02394	1.5
65.00034	0.2
65.00336	0.7
68.99831	0.2
69.70711	0.5
69.71121	0.6
71.01385	5.2
72.99303	0.8
73.02936	0.6
73.38087	0.2
75.00848	0.2
75.21793	0.1
83.01376	1.2
85.02950	2.3
87.00900	0.4
87.62330	0.2
89.02458	0.5
93.03461	0.7
95.01376	1.0
98.19864	0.3
99.00891	0.6
101.02441	1.5
105.03474	0.2
107.01399	1.5
109.02999	0.2
113.02460	2.4
115.00356	1.0
117.03470	4.3
119.03500	0.2
121.02956	0.4
133.01448	0.7
133.02985	0.3
135.04520	0.5
137.02426	0.3
139.00288	0.2
139.86681	0.2
145.02924	0.2
148.01714	0.2
149.02454	0.7
151.00348	0.9
155.05081	0.3
157.06549	0.2
159.04506	1.4
161.02454	1.3
161.04550	0.2
163.04060	0.2
164.84770	0.2
169.06613	0.6
171.04517	0.2
175.02530	0.2
179.03583	0.3
181.06522	0.5
183.04495	0.6
196.05193	0.4
197.06104	0.6
199.03973	0.3
201.05583	0.6
203.03452	0.2
203.70163	0.2
224.04820	0.3
225.05577	1.3
227.03543	0.5
249.06364	0.2
268.03781	1.2
269.04547	100.0
270.04886	7.0
281.04443	0.3
283.06067	0.2
311.05591	0.6
314.59061	0.2
319.06711	0.8
337.07761	5.2
338.07983	0.3
416.73572	0.2
427.06702	0.7
428.41980	0.2
473.10922	0.5
545.13019	0.8
563.26880	0.3
607.12891	2.8
608.13092	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98285	2.2
59.01374	10.3
60.99301	10.2
61.98814	3.6
62.56077	2.4
66.73431	2.1
69.31560	5.3
69.31966	15.7
75.08566	2.1
78.95914	4.6
87.00870	3.6
88.00392	11.0
88.98808	65.6
89.00648	2.4
89.02446	100.0
96.97025	2.2
98.20648	4.7
99.50134	2.0
148.38799	2.2
154.30165	2.0
157.86359	2.5
200.88055	3.0
204.83275	3.6
235.85129	2.7
279.87103	2.7
570.10004	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	605.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28476	0.3
59.01382	100.0
60.01721	0.5
61.98817	0.8
71.01392	1.5
71.05039	0.9
71.62744	0.4
71.63158	0.3
72.99297	2.2
73.02947	0.8
75.37032	0.3
83.01406	0.7
85.02954	1.0
87.00919	0.4
89.02478	0.5
93.07396	0.3
95.01402	0.3
101.02444	1.5
101.06124	0.5
107.05058	0.5
109.02964	0.3
113.02477	0.8
117.03474	0.5
119.05035	0.6
121.02932	0.4
123.04513	1.5
130.49614	0.3
132.02167	0.6
133.02957	5.7
134.03758	5.5
135.04529	11.6
136.04898	0.6
137.00934	0.3
137.02443	0.9
139.04095	0.6
149.06111	1.4
160.01648	0.7
161.02444	24.4
161.09775	0.4
161.70445	0.3
162.02827	1.3
167.07033	0.3
175.03952	0.4
178.02696	2.8
179.03505	6.9
180.03990	0.4
187.11252	0.5
189.09210	0.8
191.41748	0.3
193.05061	10.0
193.06737	0.6
194.05591	0.4
197.04523	3.8
223.13322	0.4
239.09215	0.4
267.12570	0.5
282.04596	0.4
359.07755	8.3
359.11774	0.3
359.28104	0.6
360.08258	1.1
391.30035	0.9
407.13507	3.4
408.13641	0.4
411.16702	0.8
411.72351	0.4
419.29672	0.8
425.14615	1.1
433.31226	0.6
437.30530	0.7
485.32559	1.4
498.14111	0.9
499.34534	0.7
501.30936	0.3
503.33707	0.7
511.30945	0.4
513.26263	0.4
517.35193	2.8
536.53113	0.3
545.34985	8.3
546.35272	1.6
563.30505	0.5
589.34106	0.8
605.21509	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	606.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
60.99308	13.6
61.98814	0.8
71.66199	1.0
78.95890	3.4
88.00396	1.4
88.98809	100.0
89.02438	13.0
93.19860	0.6
96.96012	1.5
97.03397	0.6
111.01643	0.6
135.04498	1.0
152.99571	1.0
161.02397	0.9
179.03441	0.7
210.95406	0.6
277.21713	2.7
287.96063	0.6
431.21979	1.0
458.24347	0.6
462.20142	0.7
487.34308	1.6
488.34302	1.0
502.29645	1.3
505.77026	0.8
524.27802	0.7
524.36432	0.7
574.56744	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	606.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
60.99308	15.4
61.98821	0.9
69.42573	3.3
78.95908	13.0
87.00845	0.6
88.00398	2.6
88.98809	100.0
89.02442	15.7
89.19119	0.3
89.99147	0.7
96.96947	3.1
125.00024	0.5
130.03366	0.3
134.04747	1.3
150.98038	0.5
152.99605	1.5
161.02412	0.5
184.27718	0.4
185.78790	0.4
250.62204	0.4
266.70566	0.4
277.21753	5.4
278.22205	0.8
346.05566	6.9
362.73141	0.4
396.16159	0.4
457.23682	0.5
502.29425	1.2
606.26813	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	605.2405
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.71476	0.3
61.98811	0.4
68.24744	0.4
71.11214	0.4
71.62758	0.5
90.53687	0.4
110.49155	0.4
151.68359	0.4
159.29701	0.4
246.12238	0.4
398.24011	0.4
415.15344	0.5
416.16614	0.6
429.17059	0.7
430.17865	1.1
435.05893	0.4
439.40390	0.4
443.19052	0.8
455.18753	0.6
457.20819	2.2
458.17529	0.4
459.17761	3.0
470.21506	0.8
471.18365	1.7
472.18597	0.6
473.19562	4.1
474.20160	0.7
475.20999	0.6
485.18979	2.5
486.20856	4.6
487.20975	1.3
496.18887	1.4
499.17648	2.2
500.18188	0.7
501.22699	2.6
510.20102	0.5
511.21555	2.4
513.19244	2.5
514.20074	8.4
515.20673	1.1
517.18658	0.5
518.19574	1.8
528.21533	0.6
529.22455	100.0
530.22827	13.2
532.21362	1.5
533.22247	2.0
534.22083	0.5
546.22858	0.6
561.24872	0.8
573.21704	1.0
605.24561	1.4
606.22815	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	605.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.5
61.98820	1.4
71.01373	4.1
72.99323	0.7
73.02949	1.7
74.99111	0.7
77.77489	0.5
80.78031	0.5
83.01405	0.8
85.02946	3.0
87.00872	0.7
89.02428	1.1
98.19856	1.1
101.02438	3.6
113.02438	2.4
113.51049	0.5
116.07710	0.5
117.03464	32.2
118.03802	1.2
119.05025	25.5
120.05381	0.8
121.02914	0.6
125.02433	0.6
133.02907	0.7
135.04524	1.2
143.04996	1.0
145.02950	100.0
146.03302	4.3
161.02444	2.2
161.04578	1.1
163.04004	34.1
164.04262	1.1
179.03517	1.2
187.03961	0.6
211.13503	2.6
254.55643	0.6
305.87170	0.5
319.45557	0.5
339.25259	0.9
355.17596	2.2
357.26526	0.8
373.18658	0.7
397.18750	1.7
398.14911	0.9
415.19702	0.8
501.21649	0.9
501.30643	0.8
519.22778	1.1
519.31757	1.3
559.86816	0.6
561.23517	34.7
561.32770	8.0
562.23816	4.5
562.32306	0.9
605.22681	1.3
605.30304	2.1
605.40546	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	605.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	1.6
59.01380	19.0
61.98843	2.9
69.27415	7.9
69.27844	6.0
71.01381	6.6
73.02955	2.3
85.02964	1.9
89.02425	1.6
96.96021	3.0
100.95100	1.3
101.02447	5.7
104.94987	1.5
109.93521	1.3
113.02422	2.3
117.03463	33.0
119.05027	24.9
122.69210	1.5
133.02930	2.3
134.03729	2.1
135.04503	9.2
137.02364	2.0
143.05023	2.7
145.02950	100.0
146.03323	4.4
147.04451	1.5
148.05327	6.3
149.05939	1.5
161.02460	9.0
161.04541	2.5
163.04015	32.6
178.05106	3.9
179.03502	6.4
187.04033	2.7
207.77968	1.3
285.93323	1.5
311.05502	2.0
312.12549	7.3
313.12750	6.5
357.26590	2.5
397.18497	1.7
561.23383	15.4
561.32050	2.3
562.23615	3.1
597.70056	1.7
605.29950	17.7
606.30511	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	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88896	0.5
59.01380	31.7
61.98832	1.6
63.96229	1.1
69.51456	2.6
69.51873	1.0
71.01387	4.6
72.99306	35.6
73.02953	1.3
74.02466	0.9
74.21696	0.5
75.00871	0.7
83.01389	0.6
83.83665	0.5
85.02957	1.4
87.00887	0.6
88.98814	1.3
89.02440	2.4
91.05539	0.5
93.03438	0.5
96.96004	1.8
97.44638	0.5
99.00877	0.7
101.02439	3.6
101.06107	0.9
104.03613	0.5
107.05047	1.3
109.02944	1.9
111.08194	0.6
113.02445	2.3
116.92875	1.3
117.03463	1.1
119.03548	0.7
119.05045	1.6
121.02957	0.6
123.04530	12.3
124.04850	0.6
125.02499	0.6
132.02145	1.7
133.02957	30.4
134.03815	4.0
135.04526	37.0
135.98360	2.6
136.04903	1.3
137.02417	0.9
143.03467	0.6
145.02957	3.2
147.04488	1.2
149.06084	1.0
150.63109	0.5
151.04045	1.2
160.01697	0.7
161.02441	100.0
162.02777	4.7
163.04053	1.0
173.08240	0.7
178.02878	1.2
179.03490	33.6
180.03862	1.4
193.05049	4.0
197.04547	44.0
198.04919	2.4
206.81799	0.6
267.06677	0.7
269.08267	0.7
311.05756	0.7
313.07138	1.2
327.21796	0.5
359.07654	10.1
359.28232	0.7
360.08224	1.0
425.14740	1.7
443.15582	39.2
444.15863	2.9
485.31396	1.2
498.14459	0.6
501.31067	1.5
503.31836	0.6
519.31354	0.7
545.27643	0.9
545.35468	6.4
561.23743	0.9
563.30334	1.9
605.17987	7.9
605.26135	1.1
606.19324	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	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88896	0.5
59.01380	31.7
61.98832	1.6
63.96229	1.1
69.51456	2.6
69.51873	1.0
71.01387	4.6
72.99306	35.6
73.02953	1.3
74.02466	0.9
74.21696	0.5
75.00871	0.7
83.01389	0.6
83.83665	0.5
85.02957	1.4
87.00887	0.6
88.98814	1.3
89.02440	2.4
91.05539	0.5
93.03438	0.5
96.96004	1.8
97.44638	0.5
99.00877	0.7
101.02439	3.6
101.06107	0.9
104.03613	0.5
107.05047	1.3
109.02944	1.9
111.08194	0.6
113.02445	2.3
116.92875	1.3
117.03463	1.1
119.03548	0.7
119.05045	1.6
121.02957	0.6
123.04530	12.3
124.04850	0.6
125.02499	0.6
132.02145	1.7
133.02957	30.4
134.03815	4.0
135.04526	37.0
135.98360	2.6
136.04903	1.3
137.02417	0.9
143.03467	0.6
145.02957	3.2
147.04488	1.2
149.06084	1.0
150.63109	0.5
151.04045	1.2
160.01697	0.7
161.02441	100.0
162.02777	4.7
163.04053	1.0
173.08240	0.7
178.02878	1.2
179.03490	33.6
180.03862	1.4
193.05049	4.0
197.04547	44.0
198.04919	2.4
206.81799	0.6
267.06677	0.7
269.08267	0.7
311.05756	0.7
313.07138	1.2
327.21796	0.5
359.07654	10.1
359.28232	0.7
360.08224	1.0
425.14740	1.7
443.15582	39.2
444.15863	2.9
485.31396	1.2
498.14459	0.6
501.31067	1.5
503.31836	0.6
519.31354	0.7
545.27643	0.9
545.35468	6.4
561.23743	0.9
563.30334	1.9
605.17987	7.9
605.26135	1.1
606.19324	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	605.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42297	0.2
57.27559	0.2
59.01381	1.2
61.98842	1.5
65.00333	0.2
71.01382	0.5
72.99316	0.2
73.02953	0.2
74.70421	0.1
89.02435	0.3
89.04042	0.2
93.03446	0.3
95.49529	0.1
96.95943	0.2
98.20655	0.3
105.03465	0.4
109.02959	2.0
117.03468	1.8
121.02953	0.3
122.03757	0.3
123.04530	2.3
132.02177	3.0
133.02960	23.6
134.03252	0.7
135.04550	1.5
137.02437	0.2
145.02951	0.6
147.04536	2.2
148.04898	0.2
149.02455	0.5
150.03226	1.4
151.04008	3.4
159.04472	1.0
160.01668	1.8
161.02449	100.0
162.02792	3.5
163.04034	0.7
165.24269	0.2
177.01939	0.6
179.03445	0.3
192.68347	0.2
194.25674	0.2
197.04688	0.2
203.03471	0.2
269.08179	2.7
285.07474	0.2
302.51584	0.1
305.06723	0.2
313.07178	32.9
314.07535	2.3
318.51831	0.2
323.07626	0.3
453.11935	5.2
454.12299	0.6
457.11581	0.5
605.16553	0.9
605.37366	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	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01334	0.6
59.01380	15.2
59.52658	0.7
59.91917	0.7
61.98832	1.6
66.52806	0.8
71.01374	3.8
71.65625	1.0
72.99308	51.1
73.02940	1.5
80.49873	0.7
83.01377	1.2
85.02948	2.2
89.02447	1.1
93.03481	0.7
95.75427	0.7
96.96011	2.3
101.02451	2.5
101.06056	0.8
107.05054	1.5
109.02968	3.2
111.45930	0.7
113.02432	2.7
117.03484	0.7
118.76516	0.7
123.04528	16.2
124.04851	0.7
133.02979	5.2
134.03712	3.3
135.04527	40.9
136.04822	1.3
137.02409	0.8
138.16191	0.9
140.64046	0.7
143.03461	0.7
145.02928	1.8
147.04442	0.8
151.03996	1.9
152.92731	0.7
161.02429	14.9
161.04529	1.4
179.03503	39.0
180.03899	1.5
193.05096	1.4
197.04553	64.0
198.04871	2.7
239.05576	1.4
269.08206	1.4
313.07236	1.2
359.07758	0.9
359.27982	0.9
361.70865	0.8
443.15570	100.0
444.16003	10.5
501.31000	0.8
545.29486	4.9
561.32617	2.3
563.30377	3.3
577.85474	0.9
605.40717	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	603.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98825	4.1
71.01392	2.0
72.99316	1.3
85.02936	1.1
97.12733	0.8
98.19896	2.1
102.81857	1.0
113.02484	1.1
115.80954	0.9
117.03441	1.5
121.38322	1.0
133.02980	1.5
134.57857	0.8
135.04552	3.0
137.02444	0.9
145.02943	2.9
161.02432	4.0
209.11742	1.1
247.85954	1.0
307.19305	1.1
359.50198	0.9
603.38885	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	604.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32550	2.8
61.98827	2.9
71.26611	5.0
193.82500	2.7
223.20691	3.2
225.22211	20.3
253.21817	7.1
271.22781	11.1
312.25439	2.8
314.27017	3.9
326.26767	2.9
568.49426	100.0
569.49988	16.3
604.46613	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	605.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.2
61.98824	1.7
71.01392	0.3
71.65858	0.2
72.99312	0.3
74.11527	0.2
74.52613	0.2
93.03421	0.2
101.02448	0.2
105.03443	0.3
109.02966	1.4
113.02448	0.2
115.92101	0.2
119.05035	0.3
123.04525	2.2
123.96172	0.2
132.02193	1.3
133.02963	22.4
134.03300	0.7
135.04555	1.5
137.02489	0.2
145.02946	0.2
149.02499	0.4
150.03247	1.3
151.04013	3.6
159.04518	0.7
161.02451	100.0
162.02779	3.6
163.04033	0.2
175.04079	0.3
177.01932	0.5
179.03558	0.6
229.08662	0.2
255.60663	0.2
269.08167	2.1
289.32507	0.2
313.07193	26.5
314.07544	2.0
561.23566	0.8
605.16852	0.4
605.25012	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	602.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05891	1.2
56.56155	1.3
56.62870	1.2
61.98831	100.0
67.51718	1.4
98.20640	3.7
106.18319	1.5
228.64351	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85861	1.8
54.44544	1.7
59.01369	7.9
60.99310	12.7
69.35841	10.5
69.36260	8.8
85.10905	2.0
87.00884	3.5
88.00397	9.4
88.98246	3.6
88.98806	65.1
88.99332	4.6
89.02442	100.0
142.43376	2.1
241.27759	2.2
315.35999	2.3
322.48734	2.4
346.86035	2.3
382.13052	2.7
390.49252	2.2
488.79388	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07904	1.7
60.48299	1.5
60.99309	19.7
69.61409	9.2
69.61822	3.8
78.95900	2.4
87.00889	2.0
88.00397	2.9
88.98811	100.0
89.02442	20.9
89.99156	2.0
153.37730	1.7
174.09422	1.8
230.39041	1.8
351.31921	1.9
402.29889	2.5
471.27979	3.1
471.34747	43.5
472.35074	4.9
541.71979	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	603.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33054	0.4
59.01381	100.0
59.43901	0.4
60.01709	0.8
61.98826	0.8
64.82569	0.4
70.78016	1.1
71.01386	1.0
72.99316	0.6
73.36742	0.4
76.43779	0.4
107.76460	0.4
109.03042	0.4
110.36143	0.4
133.02971	0.5
134.06209	0.4
135.04526	1.4
145.03011	0.5
157.38597	0.4
161.02437	2.8
163.04048	0.5
172.06499	0.4
179.03517	0.9
311.26224	0.5
355.25070	0.8
465.30307	0.6
483.31241	0.6
603.22351	1.9
603.39545	0.6
604.39252	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	601.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98014	1.6
59.01380	8.0
61.98829	4.5
71.01362	7.1
72.99321	1.7
73.02932	2.6
78.95933	1.2
79.23534	1.0
79.88358	1.2
79.95716	2.6
80.96507	1.1
81.03424	1.4
84.77766	1.0
85.02927	3.8
93.03445	4.4
95.01374	1.8
96.95987	2.2
99.00922	1.3
101.02453	1.9
107.03766	2.0
108.01435	2.4
108.02178	47.7
108.04549	1.2
109.02976	26.1
111.34917	1.0
113.02443	2.6
116.92892	1.1
119.05022	2.7
121.02956	3.8
122.06134	22.9
123.00849	1.3
123.04522	3.7
124.07669	3.5
133.02942	1.7
135.04530	7.6
136.07687	10.6
136.13565	1.2
137.02466	8.8
145.02957	1.4
148.04018	1.3
150.03262	1.2
151.03987	1.8
152.01169	70.0
153.01953	22.7
161.02457	5.8
161.09749	6.2
162.05609	2.6
163.04027	6.5
165.01971	6.5
165.05618	1.3
168.06653	2.3
179.03493	4.5
187.07744	1.1
187.11244	1.8
195.02968	1.4
195.06660	1.8
221.10042	18.2
231.11406	3.1
237.04118	1.2
243.11429	3.6
273.17035	1.1
285.12466	4.9
301.05731	16.8
302.06262	1.1
315.07187	8.2
357.08301	1.2
465.12732	7.8
466.13351	2.6
478.13486	9.9
479.14111	1.4
575.52319	1.4
601.20514	100.0
602.20740	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	601.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00059	1.9
55.01860	3.2
57.03441	4.7
59.01383	100.0
61.98830	21.5
71.01386	41.3
72.99299	8.9
73.02953	28.4
83.01385	8.9
85.02929	14.1
85.98869	2.5
87.00870	3.2
87.04502	6.4
89.02448	20.6
93.03465	2.6
95.01376	3.6
96.96026	18.4
98.20623	5.2
99.92569	2.8
101.02438	31.9
107.05029	7.2
113.02448	24.2
115.92054	2.6
116.92851	9.4
119.03465	11.6
119.04977	2.7
123.04514	5.1
125.02473	3.0
126.90512	15.4
133.02974	6.7
134.03749	2.8
135.04523	26.1
135.08203	3.5
137.02492	2.2
143.03467	4.3
145.02942	11.6
149.02362	2.2
161.02467	22.7
161.04544	16.3
163.04013	3.0
165.09207	15.3
175.04002	2.7
179.03467	8.8
179.05655	4.1
197.04517	6.5
202.06139	2.5
221.06747	3.9
257.19260	3.2
257.72403	2.3
267.06549	2.3
287.20187	2.9
311.05579	5.0
335.22171	6.5
345.15570	2.1
351.13000	3.3
353.23383	15.2
407.16766	3.9
463.15723	2.3
495.22388	2.1
497.27304	6.1
505.90952	2.4
506.19330	3.3
515.28467	3.2
557.29822	14.7
559.27643	2.6
601.27728	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	599.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94221	1.2
70.05475	4.1
71.01394	2.1
74.29947	1.0
85.38893	1.0
90.39803	1.2
93.03459	45.4
137.02448	100.0
138.02757	2.3
175.55423	1.0
299.07739	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	599.4112
Annotation	HMDB03101
Peak:m/z	Relative Intensity
56.23441	3.0
56.32558	2.5
57.03446	28.1
59.01381	42.7
62.99301	3.0
63.55624	2.6
69.95208	2.8
70.78020	9.6
83.05030	6.2
104.15324	2.9
121.06590	6.0
137.09741	6.2
157.02495	2.9
199.11168	3.2
201.12886	3.5
201.16565	5.3
227.14590	5.8
245.15349	3.7
261.18436	9.3
285.22321	6.5
327.23276	7.7
352.66983	3.5
419.29584	4.4
523.35852	4.8
541.36292	4.0
545.38312	5.2
548.36127	3.8
563.39075	53.0
564.39185	12.0
581.40051	75.3
582.40350	12.5
599.41046	100.0
600.41315	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	600.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
89.00379	2.8
214.58292	2.9
407.41345	3.4
413.67090	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	601.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82890	1.4
57.15284	1.3
59.01382	26.9
61.98835	3.0
63.49865	1.5
68.99825	5.3
69.03484	1.5
71.01392	4.2
71.41255	3.6
72.99323	2.1
73.02950	2.4
85.02958	2.8
89.02470	2.5
93.03505	2.0
101.02442	3.7
109.02951	2.3
113.02464	4.7
115.05520	2.3
116.92931	1.8
117.03472	26.3
119.05029	79.0
120.05404	2.2
121.02890	1.8
125.02412	2.7
133.02965	2.7
135.04510	6.9
141.01936	1.7
143.05040	29.6
145.02965	63.0
145.04108	3.4
146.03320	2.3
149.02457	2.4
161.02461	7.9
161.06030	5.2
163.04008	100.0
164.04358	3.5
179.03522	3.5
187.03999	75.5
188.04289	4.2
191.07031	2.3
197.04601	2.4
205.05066	5.6
225.75352	1.8
295.08286	4.0
367.10330	3.3
439.08560	2.2
453.15466	7.8
471.16678	3.1
500.25977	1.7
513.17706	9.0
515.40118	1.8
602.35638	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	598.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35558	0.2
59.01384	0.7
59.74443	0.2
61.98831	100.0
67.20825	0.2
69.36044	1.4
69.36472	0.6
71.01401	0.3
89.02460	0.2
98.19891	0.5
109.02985	0.3
112.31552	0.2
115.84399	0.2
119.05022	0.3
135.04570	0.2
137.02473	0.4
139.30194	0.2
144.04591	0.2
163.04022	0.5
170.08388	0.2
179.03590	0.3
196.06181	0.4
209.68950	0.2
260.09259	0.4
296.11771	0.2
312.04459	0.2
328.84122	0.2
418.17889	0.4
436.08218	0.4
462.16791	0.5
545.33350	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	599.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03973	0.7
70.04456	1.8
70.04836	1.0
70.54636	0.5
71.01376	1.6
80.37534	0.6
83.84266	0.5
85.02942	0.8
93.03458	46.0
94.03815	0.8
101.02439	0.9
113.02487	0.6
129.60269	0.5
137.02448	100.0
138.02788	3.0
148.26463	0.5
213.11276	0.5
229.11823	0.6
256.29504	0.6
299.07721	13.8
300.08206	0.7
340.18985	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	597.3314
Annotation	Cyl-2
Peak:m/z	Relative Intensity
53.59414	1.2
62.20919	1.2
69.80023	9.5
71.01392	6.2
78.98591	4.0
79.95721	8.2
80.96518	57.8
85.02955	3.3
87.00867	2.6
94.98106	12.0
96.96046	2.2
98.19897	3.0
101.02472	1.9
106.98093	3.2
122.97591	3.3
134.97583	2.8
148.99084	4.6
152.98602	5.4
164.98630	12.3
167.00267	1.6
206.99648	2.5
225.00729	13.1
239.12668	1.4
299.04349	3.8
597.33148	100.0
598.33405	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	597.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
61.98837	3.5
69.75773	1.7
71.01390	1.5
72.99309	0.4
73.02956	0.4
75.00871	1.5
75.37368	0.3
81.03461	11.7
83.05031	36.6
84.05354	0.7
85.02926	0.5
88.98832	0.4
89.02451	0.6
93.03467	0.9
96.96026	0.6
97.44334	0.3
98.20526	0.4
100.07685	4.9
101.02451	0.9
105.34269	0.3
108.02110	0.4
108.04507	0.3
109.02952	0.9
113.02419	0.8
116.05086	2.3
116.92869	0.4
119.05009	0.6
121.03054	0.3
122.03738	0.3
123.04498	0.4
126.05543	0.6
126.90590	0.3
127.04057	0.3
135.04506	1.0
137.02464	1.1
145.02962	0.4
145.04944	0.3
150.03178	0.3
152.01176	0.7
161.02435	1.0
161.04559	0.3
163.04016	0.3
179.03462	0.6
197.04449	0.4
199.16457	0.6
199.18181	6.8
207.15024	0.5
219.03055	0.4
224.17693	0.7
225.16081	8.4
225.18315	0.5
243.17130	22.0
244.17377	1.1
269.15094	1.1
309.21863	0.8
331.21899	0.3
335.19891	0.4
346.56271	0.3
349.22748	0.4
353.20859	5.9
354.21011	0.4
397.13910	0.8
425.35245	0.4
451.32730	2.0
452.33130	0.3
469.33926	12.9
470.34390	1.4
493.26974	1.0
495.32019	0.4
511.27924	1.0
518.46594	0.3
532.68335	0.3
553.39984	0.4
579.37543	3.0
580.38605	0.4
583.50568	0.3
597.38715	100.0
598.38995	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	597.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.4
57.18398	1.4
59.01384	68.0
60.99762	1.7
61.98822	5.1
71.01393	16.9
72.99318	12.8
73.02940	3.0
77.38537	1.5
85.02950	5.2
88.20181	1.7
89.02448	10.4
96.96039	2.0
98.20611	4.6
101.02441	11.1
108.02161	1.7
108.04568	1.8
109.02986	4.6
111.08163	2.4
113.02429	7.6
116.92910	1.7
117.03496	2.8
119.03526	3.1
119.05027	2.9
123.04568	2.7
126.90518	4.7
132.02141	2.1
133.02971	12.1
134.03743	12.6
135.04552	16.8
137.02422	2.8
145.02985	3.9
149.02448	3.8
150.03177	2.2
151.04016	1.9
151.64816	1.6
161.02451	38.5
161.04497	1.9
162.02853	2.8
163.11310	4.3
165.12831	13.4
166.13219	1.7
175.04024	2.0
179.03491	13.5
183.13892	25.6
187.83276	1.7
193.05075	12.2
197.04588	2.8
197.15445	5.3
207.10220	9.1
207.13901	2.4
209.11813	2.3
225.14819	1.7
227.12946	13.4
251.12834	2.9
251.15599	1.6
267.06635	2.3
285.12457	2.4
311.05688	3.6
319.42307	1.9
387.16614	48.3
388.17120	4.1
411.61011	1.6
516.21704	2.2
521.21655	3.4
565.20673	2.6
579.28253	8.4
597.29230	100.0
598.29260	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	597.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10381	1.2
59.01382	21.4
60.01709	1.8
61.98817	3.5
67.47444	1.3
71.01402	2.3
72.99302	1.9
85.02999	1.4
89.02443	2.5
93.03464	5.2
101.02468	2.7
109.02959	2.0
113.02477	1.7
117.03445	2.1
119.05018	13.2
120.05396	3.8
121.02957	6.4
122.03734	13.0
133.02936	4.1
133.06578	4.0
134.03795	2.4
135.04509	8.9
136.01601	2.1
145.02937	9.8
146.03325	3.0
149.02446	24.3
150.03221	83.8
151.03838	4.2
160.01659	2.7
161.02443	5.2
161.06049	8.6
162.06381	3.2
163.03999	10.4
164.04700	6.6
165.05568	100.0
166.05934	2.6
175.03964	5.3
177.05576	2.5
179.03560	1.6
180.04256	6.2
193.04945	2.8
195.06622	59.0
196.06935	2.0
205.05045	4.8
206.05394	2.0
209.11829	4.0
210.12222	2.1
211.12405	1.6
229.66357	2.0
235.06084	2.9
255.06490	2.7
265.07208	2.2
266.07620	3.0
267.03418	1.7
267.07297	2.6
269.13895	13.0
270.14273	11.1
271.14474	7.7
283.06058	4.8
284.06790	1.7
294.05368	2.6
297.07745	1.9
309.07721	4.7
311.05576	8.6
311.09061	2.7
312.06146	5.4
312.09671	2.7
324.09998	4.5
326.07919	12.5
327.08707	14.1
327.12418	4.8
339.12402	19.7
341.10260	15.4
341.13870	2.4
342.10852	9.9
347.13321	3.7
356.12595	20.9
357.13400	36.3
358.13892	2.6
401.16476	2.1
436.25421	1.8
450.20279	3.0
451.20621	3.4
470.23810	1.5
472.14911	1.5
487.17563	4.8
505.18625	20.5
506.18985	5.0
521.15430	1.5
523.19604	4.1
527.71405	1.6
535.19287	2.8
553.20471	14.9
554.20685	2.4
561.23468	8.3
597.24695	19.0
598.25061	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	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12906	1.1
54.16683	0.9
59.01369	2.9
60.97519	1.0
61.98817	2.4
68.99831	1.1
69.03455	1.9
69.50253	7.1
71.01376	3.5
72.99305	2.7
73.02941	1.4
81.03464	8.1
83.01372	6.0
85.02957	2.6
87.95052	1.0
93.03471	6.1
95.01379	2.4
95.05029	5.1
97.02942	5.3
99.04520	2.7
101.02445	1.2
104.97320	1.0
107.05063	1.9
109.02935	4.3
109.06543	1.8
111.04502	3.1
113.02451	2.3
119.05042	7.6
121.03002	2.4
122.03780	1.2
123.04533	14.1
123.32896	1.0
125.02466	11.2
129.98587	0.9
133.02986	5.2
134.03682	0.9
135.04538	14.4
137.02432	6.2
137.06113	6.5
137.06967	1.1
139.04022	10.5
141.05511	2.3
145.51158	1.0
147.04506	2.5
148.05241	2.9
149.02455	1.6
149.06114	2.2
150.03201	1.9
151.04008	3.8
153.01897	2.1
153.05504	2.0
161.02444	20.9
161.04543	1.0
161.06003	1.5
162.02815	2.0
163.04060	6.0
163.07649	1.2
163.15854	1.0
165.01895	4.6
165.05577	7.1
166.02676	2.3
167.03500	30.0
177.05486	2.1
178.05081	2.9
179.03479	12.9
179.07158	1.5
180.04240	1.6
181.05058	2.3
189.05545	8.2
190.05048	1.2
191.03477	1.6
191.07083	1.3
193.05026	3.9
195.06691	1.8
197.04550	9.4
205.05080	1.5
207.02908	1.6
207.06635	2.6
209.04539	25.8
219.02884	1.3
221.04576	5.0
235.06012	1.1
239.05583	11.7
251.05522	4.6
263.05582	2.0
269.06567	1.4
273.07663	4.1
281.06635	1.7
285.07672	1.2
312.12399	11.7
313.12823	2.3
315.08768	17.4
316.09146	1.6
327.08658	9.3
341.09909	1.1
345.09753	6.9
355.13138	1.4
357.09787	100.0
358.09930	6.3
359.07724	6.0
360.08292	1.3
369.09799	4.5
387.10852	78.6
388.11273	6.4
399.10739	4.0
400.10602	1.0
417.11850	27.2
418.12119	2.4
429.11877	1.8
459.12997	13.2
460.13040	1.2
477.13956	20.3
478.14688	1.9
480.34106	1.0
489.14011	7.3
507.15030	3.4
509.36694	1.3
558.05450	1.4
579.17505	1.7
597.18262	9.2
598.18604	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	596.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	71.8
61.98831	25.3
68.29058	0.6
69.29131	6.0
70.80928	0.5
72.43648	0.5
78.13701	0.6
80.05071	0.7
80.86632	0.6
84.75732	0.6
89.02445	0.7
96.47418	0.5
98.19837	1.3
106.06619	9.8
108.04552	1.4
109.25128	0.5
117.03485	1.3
119.05054	0.9
122.06122	4.7
134.06122	53.1
135.06512	1.3
145.02963	7.3
148.03960	0.8
152.07126	4.1
160.03920	0.8
163.04019	1.7
174.05525	0.6
194.08195	3.7
197.07184	0.8
205.04948	0.6
207.10373	1.0
209.07150	0.7
210.07710	1.2
210.09447	1.0
211.08743	1.2
213.10410	1.1
222.07922	1.5
223.08783	1.5
224.05907	1.7
225.06700	2.4
225.10310	2.2
232.06445	0.7
234.07942	1.3
235.08693	0.9
236.05775	0.7
237.06667	4.0
237.10283	6.7
238.07344	2.6
238.08951	2.2
239.08228	2.8
247.08820	1.3
248.05945	0.8
249.06531	1.6
249.10397	2.5
250.07130	1.0
250.09004	1.2
251.04639	1.3
251.08272	8.5
251.11160	0.7
251.11749	0.6
252.05449	1.7
252.09081	2.5
253.09828	9.0
254.10336	0.9
263.08258	4.6
263.10999	0.7
263.11963	0.6
264.05679	1.0
264.09094	2.2
265.06195	11.1
265.09818	6.6
266.06961	16.1
266.10049	1.2
267.07553	1.6
267.11404	1.4
270.11334	1.1
275.08231	1.0
277.06259	2.5
277.09769	1.6
278.06927	8.6
279.07730	6.8
279.11340	1.8
280.08517	6.3
281.09314	90.6
282.09705	5.5
284.07999	0.9
291.07764	1.6
292.08496	3.9
293.09311	57.4
294.09875	8.0
307.07321	1.5
307.10809	13.5
308.11130	0.9
313.11945	9.6
314.12292	0.7
319.07098	0.9
325.08478	0.8
325.11774	3.1
326.95023	0.6
336.11356	0.7
337.08261	0.9
339.13751	1.6
356.17725	1.1
357.10873	0.8
358.15598	0.9
360.17072	0.9
370.11905	2.3
371.12704	0.9
372.13300	1.1
372.17365	0.8
384.13431	1.9
384.17328	2.0
385.14566	2.1
386.15173	1.6
387.16602	10.1
388.16660	0.8
398.11124	1.1
399.11896	0.7
400.16656	8.5
401.16962	1.0
412.13144	1.6
412.19101	0.6
413.13889	3.0
428.16129	21.8
429.16476	2.2
432.19730	1.5
446.17413	1.7
454.14398	0.9
460.18781	16.4
461.19022	1.9
472.15036	1.4
478.19812	1.1
488.18256	100.0
489.18591	12.6
504.17554	3.5
505.18878	0.9
520.20886	31.2
521.21234	4.2
522.18933	0.8
532.17249	55.9
533.19360	11.2
534.20801	0.8
544.62872	0.8
546.19226	0.7
564.19830	94.7
565.20135	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	596.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56755	0.5
59.01381	73.4
60.01706	0.7
61.98827	4.8
69.56445	1.1
69.56857	2.8
71.01414	0.5
75.00890	0.5
80.05029	0.5
91.85419	0.4
94.06651	0.7
98.20627	0.6
100.35484	0.5
106.06638	12.2
108.04562	1.0
110.93797	0.4
113.48526	0.4
116.05023	0.6
117.03452	0.5
120.04588	0.9
121.05263	0.5
122.06123	5.7
132.04562	3.8
134.06123	75.0
135.04533	1.4
135.06473	1.7
136.07683	0.7
138.05611	1.8
144.04535	1.4
145.02959	0.8
146.06178	0.9
147.03278	0.4
148.07729	0.6
152.07178	5.8
158.02444	1.2
158.06067	1.3
160.04047	1.5
161.02448	0.8
162.05586	1.2
172.04062	1.0
174.05597	1.3
176.03543	1.6
179.03444	0.5
186.05632	0.5
190.05142	4.9
192.06683	4.0
194.08206	4.3
196.64137	0.5
197.07109	0.9
198.07858	0.5
202.05162	0.8
204.06624	1.6
207.05702	0.6
209.07231	0.9
209.10852	0.6
210.07681	0.7
210.09387	1.4
211.08723	0.6
213.10342	3.2
216.06648	0.7
221.07146	0.5
222.07997	1.7
223.06734	0.5
223.08734	1.9
224.09462	0.5
225.06770	2.2
225.10303	3.5
234.07997	1.3
235.08720	1.6
236.09512	1.0
237.06720	2.4
237.10315	14.2
237.12621	1.0
238.07408	2.9
238.08842	1.8
239.08258	2.7
239.11990	1.1
245.05640	0.6
247.08905	0.9
248.09543	0.8
249.06581	1.1
249.07974	0.5
249.10374	5.6
250.08632	1.8
250.10915	0.6
251.04485	0.8
251.05652	0.7
251.08237	7.8
251.11937	2.2
252.05411	0.8
252.08910	1.8
253.09781	7.9
254.10533	1.8
263.08240	3.6
263.11877	1.8
264.05505	0.9
264.09000	2.0
265.06210	8.6
265.09808	6.0
266.06946	15.6
266.10074	0.9
267.07477	1.5
267.11392	2.1
270.11368	0.9
275.08359	0.8
277.06229	2.7
277.09766	1.6
278.06952	8.3
278.10016	0.9
279.07758	6.3
279.11334	4.8
280.08560	5.9
281.09314	68.5
282.09631	3.9
284.08096	1.3
291.07767	2.5
292.08502	5.2
293.09320	43.0
294.09924	5.5
295.10684	1.2
305.09329	2.2
306.10159	0.7
307.07373	0.9
307.10812	12.1
308.11319	1.0
309.08917	0.7
309.12402	0.9
310.06003	0.5
310.09515	0.7
311.10437	0.7
311.13989	0.9
313.08447	0.8
313.11945	10.5
314.08884	0.5
314.12561	0.7
321.08780	1.1
323.10385	3.6
325.11865	4.5
326.09143	0.9
326.12891	1.4
336.11090	0.8
337.11932	5.4
338.12558	0.6
339.09781	0.7
339.13519	7.2
343.13434	0.8
356.10263	0.9
356.17715	2.4
357.10828	1.0
357.14853	0.5
358.15472	1.1
360.17017	1.3
367.13052	1.2
369.14960	0.7
370.12045	1.8
371.12521	1.1
372.13251	1.8
372.17374	1.0
383.12479	1.5
384.17349	6.5
385.14252	2.4
386.15118	4.0
387.16162	0.9
397.14050	7.3
398.10681	1.0
398.14960	1.5
399.15549	1.3
400.12454	0.7
400.16782	7.8
401.16916	1.5
402.18491	0.6
410.15234	0.6
412.13000	1.1
413.13910	3.9
417.18033	0.5
428.16150	22.6
429.16458	2.7
430.14087	0.9
432.19412	2.5
444.19562	3.3
445.16486	0.7
446.17245	1.1
460.18781	32.8
461.19034	5.0
463.93100	0.5
472.15131	0.8
474.54761	0.6
478.19809	2.3
488.18253	57.8
489.18408	7.3
492.21442	9.5
493.21780	1.5
504.17953	3.9
520.20868	82.5
521.21155	10.4
532.17230	28.1
533.17511	3.9
546.18555	0.6
552.23462	18.7
553.23743	3.1
564.19824	100.0
565.20203	13.5
596.22449	17.9
597.22705	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	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
56.27869	1.2
59.01360	1.2
60.45169	1.0
61.98814	3.3
71.66348	1.5
78.95905	69.3
81.43651	1.0
83.63091	1.1
96.96956	14.5
102.76602	1.0
134.98486	1.2
137.18117	1.1
150.97983	1.5
152.99588	71.3
163.06790	1.2
194.16853	1.2
223.00166	2.0
240.98698	1.5
241.01189	32.1
279.23282	66.0
280.23682	3.9
315.04773	10.7
415.22574	7.1
433.23621	5.3
506.15308	1.2
551.09064	1.1
595.28888	100.0
596.29419	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	596.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95915	0.4
59.01382	71.8
61.98830	25.7
69.36211	0.8
69.36625	2.9
71.01365	0.8
86.15241	0.4
89.02451	1.2
94.06631	0.4
101.02497	0.5
104.04951	0.4
105.22297	0.4
106.06630	10.1
107.75542	0.4
108.04554	1.0
117.03473	1.9
119.05055	1.0
122.06131	4.5
124.04085	0.5
134.06123	48.0
135.04518	0.6
135.06468	1.3
145.02942	8.6
146.03415	0.5
152.07202	3.5
161.02460	0.8
163.03978	1.0
174.05591	0.7
194.08238	2.8
197.07169	1.2
205.05205	0.5
207.10240	1.2
209.07272	1.0
209.10840	0.8
210.07939	1.7
210.09509	0.9
211.08809	0.7
213.10379	0.8
218.19824	0.4
221.78154	0.4
222.07997	1.6
223.06505	0.8
223.08768	1.7
224.05879	0.6
225.06683	1.7
225.10255	2.5
234.08018	1.0
235.08737	1.9
236.05743	0.5
237.06657	3.5
237.10289	7.1
238.07423	3.1
238.08963	1.5
239.08174	2.2
239.11981	0.4
247.08786	1.0
248.09512	0.7
249.06705	2.0
249.10263	3.0
250.07623	1.9
251.04518	1.1
251.08208	7.7
251.10724	0.6
251.11876	0.5
252.05380	1.3
252.08966	2.9
253.09801	7.9
254.10306	0.5
263.08276	3.7
263.11844	0.8
264.05481	0.9
264.09055	1.8
265.06216	9.1
265.09775	6.7
265.66010	0.5
266.06952	16.2
266.09933	0.9
267.07404	1.4
267.11316	1.7
270.11420	0.7
272.15692	0.5
275.08276	0.7
277.06238	2.6
277.09610	0.8
278.06940	9.3
279.07712	7.3
279.11353	2.1
280.08533	6.3
280.11612	0.7
281.09308	86.0
282.09616	6.0
284.08020	1.3
291.07742	1.9
292.08585	4.2
293.09329	52.5
294.09848	7.1
305.09171	0.5
306.09995	0.7
307.07248	1.2
307.10837	13.7
308.11230	0.9
313.11938	8.5
314.12442	0.8
319.07233	0.8
319.10928	0.5
320.07806	0.6
321.08859	0.9
325.08456	0.9
325.11960	3.3
326.09122	0.6
326.12659	0.5
333.08850	0.5
336.11185	0.8
339.13699	2.3
340.62753	0.5
356.10477	0.6
356.17987	0.8
357.10941	1.1
357.15582	0.7
369.15173	0.6
370.11890	1.5
371.12668	0.8
372.17209	0.8
384.13388	1.3
384.17285	2.0
385.14798	1.8
386.14896	1.7
387.16611	10.1
388.16754	1.2
395.12454	0.6
398.11307	1.2
399.11984	0.7
400.16702	8.2
401.17197	1.0
412.12997	1.0
413.13666	2.5
414.14084	0.6
428.16147	18.7
428.21957	0.9
429.16467	1.7
432.19205	1.6
446.17230	1.6
454.13989	0.7
460.18765	15.6
461.19083	1.7
472.15457	1.0
478.20059	1.0
486.16699	0.5
488.18265	100.0
489.18613	11.8
504.17636	3.2
520.20862	30.5
521.21130	4.5
532.17261	53.2
533.19403	11.4
534.20551	1.7
552.71985	0.6
564.19843	87.3
565.20209	11.7
596.22723	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	595.2761
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
56.66667	0.8
57.03456	0.8
59.01383	34.4
61.98823	3.7
69.03448	2.2
71.01391	12.1
72.99335	1.8
73.02946	3.7
81.03459	5.7
83.01400	1.7
83.05043	6.4
85.02947	2.9
87.00854	2.1
89.02442	6.8
93.03488	2.4
95.04456	1.6
95.05029	15.6
96.45753	0.9
96.96009	2.0
97.02990	1.5
98.19775	1.8
99.00858	1.1
101.02428	9.3
109.02961	1.4
109.06592	6.1
113.02463	5.3
119.03501	3.0
121.02930	1.1
123.04528	5.3
133.02930	8.3
134.06082	1.1
135.04556	8.5
135.08150	8.3
137.02509	1.2
141.05582	1.8
145.91301	0.9
147.83878	1.0
149.02388	1.2
159.08173	1.7
161.02446	26.2
161.04472	1.3
163.03999	1.0
165.05597	1.4
167.10666	0.9
167.14413	1.9
173.20952	0.8
175.07602	2.2
177.09206	23.6
178.09477	1.9
178.75482	1.0
179.03520	4.4
193.12326	8.8
195.10265	7.2
197.04594	0.9
211.13417	20.7
221.08157	3.2
229.73816	1.0
239.09117	2.9
311.05591	1.0
339.08768	1.4
355.17639	6.3
373.18649	63.3
374.18900	5.3
389.17792	1.0
415.19724	6.3
459.15475	1.1
497.22971	1.0
535.32300	1.6
551.21124	10.5
551.28857	2.1
577.26917	1.4
595.27612	100.0
596.27954	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	595.2807
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01376	1.2
61.98553	0.9
61.98832	9.3
63.96218	1.4
69.03458	0.7
69.42411	1.4
69.42808	4.9
71.01386	7.0
73.02946	1.4
77.41205	0.6
78.98598	4.6
79.95741	7.8
80.96516	51.3
85.02946	2.8
87.00861	1.7
94.98090	11.8
96.96030	1.4
97.02956	1.4
101.02440	1.7
103.71797	0.6
106.98066	2.3
121.02969	5.0
122.03291	1.8
122.97575	2.7
125.02421	2.1
127.04042	0.6
134.97583	3.8
136.99155	1.2
148.99113	5.3
152.98660	4.3
164.98650	7.8
172.10768	0.6
195.13846	0.7
206.99666	2.0
209.04524	2.4
210.04805	1.4
211.05028	0.9
225.00731	13.9
226.00989	0.6
295.22827	1.4
299.04471	2.7
595.27917	100.0
596.28168	12.5
596.36768	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	595.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13136	0.9
59.01381	30.6
61.98837	1.3
69.07207	0.9
69.37107	5.7
69.37512	2.4
71.01391	5.0
73.02942	0.8
78.47756	0.7
85.02979	1.1
89.02432	1.4
93.03448	2.7
99.04523	7.1
101.02442	3.6
113.02460	1.2
117.03445	7.0
119.05029	43.6
120.05362	0.9
121.02952	3.6
131.05043	1.8
132.05775	2.7
133.02974	1.2
133.06581	13.9
135.04536	1.2
145.02953	41.2
147.04564	1.1
161.02414	2.9
161.06090	30.9
162.06410	2.1
163.04015	47.7
164.04308	2.0
165.12825	4.0
177.05579	11.7
187.03981	2.5
190.43489	0.9
196.06117	2.6
205.05057	30.3
206.05455	1.7
207.13914	7.6
209.11835	22.2
213.48436	1.0
225.14932	4.0
235.06142	13.9
251.12839	5.6
265.07175	34.9
266.07651	2.2
269.13937	100.0
270.14343	5.4
287.14954	1.5
325.09280	11.8
326.09613	1.0
449.14468	1.5
449.20291	22.3
450.20490	1.4
551.20758	1.1
566.27881	0.9
595.23962	57.7
596.24225	9.0
599.15942	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	595.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01380	38.0
61.98822	2.7
64.78305	0.8
69.86007	4.5
71.01385	5.0
72.99314	1.2
78.68581	0.7
83.05016	1.0
85.02975	1.2
89.02448	2.5
93.03468	2.5
99.04520	8.4
101.02419	2.3
109.02941	1.0
113.02429	1.9
115.94508	1.0
117.03484	8.7
119.05025	46.3
120.05364	0.9
121.02937	3.3
123.04539	1.9
131.05028	1.3
132.05800	2.6
133.02937	3.4
133.06595	13.9
135.04517	2.9
137.02412	0.9
145.02957	45.1
146.03351	2.1
147.04507	2.0
147.15935	0.8
159.04544	2.0
161.02449	9.2
161.06087	31.8
163.04022	45.9
164.04330	1.3
165.12843	4.7
177.05594	11.7
179.03452	1.6
187.03986	2.7
204.54613	0.8
205.05070	28.4
206.05342	1.0
207.13896	8.0
209.11832	24.5
209.95885	1.0
210.12143	1.1
225.14946	4.8
235.03970	1.3
235.06111	17.8
249.89336	0.8
251.12956	6.5
265.07181	36.7
266.07471	1.3
269.13934	100.0
270.14203	6.2
279.07883	0.7
287.14737	1.1
295.08768	1.0
311.05447	1.2
325.09320	10.1
449.14432	1.7
449.20282	20.6
450.20230	1.3
462.19174	1.0
551.21484	1.0
595.23859	51.1
596.24213	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	595.1672
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
58.57770	1.3
65.00330	1.3
67.01846	1.1
70.23447	5.5
71.01386	2.5
77.56206	1.5
79.01916	1.6
81.03468	3.2
83.01402	3.3
91.03660	1.3
93.03466	8.0
95.01393	1.9
95.04976	1.3
97.02958	4.5
104.02421	1.2
105.77962	1.3
107.01423	9.0
107.05026	1.7
109.02966	3.7
111.00860	1.9
111.04510	1.8
116.92875	5.8
117.03482	1.9
119.05026	46.1
121.02936	5.5
123.00886	2.4
123.04518	2.8
125.02452	7.1
133.02954	1.6
135.01001	1.3
135.04529	3.1
137.02423	5.7
137.87401	1.3
139.04028	6.5
143.05032	4.0
145.02937	7.6
145.06665	1.4
147.04475	2.9
149.02425	6.8
151.00365	4.9
151.03986	2.5
152.81749	1.5
159.04494	1.7
161.02393	1.4
161.06114	3.2
163.00343	3.7
163.04018	4.2
163.66785	1.4
165.01981	7.3
165.05528	1.5
167.03520	11.2
173.05980	1.9
177.01909	6.8
178.02756	1.9
179.03462	4.0
185.06073	1.4
187.03966	9.1
189.01993	1.7
190.99832	1.6
191.03482	5.3
192.00717	1.6
193.01416	9.0
197.04544	3.6
199.07677	1.5
205.01410	9.0
207.03011	3.9
209.04549	4.8
217.01503	2.1
219.03012	4.1
223.02335	2.0
227.07179	4.0
235.02483	17.0
238.07527	1.5
239.05589	1.6
241.08632	2.0
248.59445	1.5
249.04149	3.9
255.91818	1.6
261.04083	3.3
265.03519	7.2
267.06723	1.7
269.08420	1.5
271.06107	6.0
277.03555	2.2
283.06107	2.6
311.09088	1.9
313.07162	20.0
325.07306	8.6
326.07791	2.3
337.07092	1.6
343.07999	6.8
355.08231	99.6
356.08545	10.4
367.08206	7.1
385.09290	78.3
386.09265	6.9
397.09299	5.2
415.10297	22.7
416.10736	2.1
427.10339	1.7
457.11444	10.9
475.12482	47.0
476.12717	5.1
487.12491	6.1
505.13531	12.5
506.13583	1.6
577.16003	4.2
595.16663	100.0
596.17175	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	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90589	2.5
59.01382	100.0
71.01374	10.5
85.02950	5.0
89.02419	4.5
101.02428	5.8
104.03508	4.1
121.02932	5.2
123.04534	3.0
135.04472	3.8
137.02391	4.1
139.85091	2.4
153.01952	3.6
161.02440	9.1
162.03194	7.3
177.05547	5.4
179.03487	2.8
195.10277	3.8
204.96362	2.6
211.67424	2.7
239.09215	13.8
317.60474	3.1
433.11292	4.7
590.65271	3.2
595.22272	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	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
57.03436	7.0
59.01384	100.0
69.39883	17.0
71.01379	29.1
72.99300	2.5
73.02944	8.0
83.01383	6.3
85.02965	15.3
87.00897	3.6
89.02464	5.0
90.65156	2.0
95.01386	6.0
98.19800	3.7
99.00832	3.6
100.92485	2.3
101.02451	15.7
109.02961	3.7
113.02464	16.2
117.03426	2.1
119.04999	2.8
125.02422	2.5
133.02982	4.5
135.04506	7.1
143.03499	5.5
145.02925	6.9
145.33321	2.0
161.02420	5.9
161.04494	3.6
163.03941	4.1
163.86678	2.0
181.15971	3.4
187.03995	3.0
187.07642	2.9
262.36813	2.5
327.78619	2.0
345.30035	17.0
401.95062	2.1
416.56015	2.5
489.34308	81.4
490.34601	8.6
507.35342	54.2
508.35635	7.7
549.35974	4.4
593.22168	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69958	1.0
57.03438	1.2
59.01378	100.0
61.55262	1.2
69.37222	10.1
71.01055	1.3
71.01374	7.5
73.02946	2.2
83.01397	2.1
85.02937	5.4
87.00918	1.5
95.01392	1.3
99.00892	1.3
101.02448	3.8
113.02460	5.1
125.02430	1.6
133.02974	1.4
135.04492	4.4
141.27330	1.0
142.39195	1.3
143.03522	2.3
149.58673	1.0
158.04185	1.3
161.02449	1.5
161.04454	1.5
179.03523	2.2
229.51392	1.1
299.25897	3.4
345.30078	10.4
346.30438	1.8
489.34317	45.0
490.34619	4.6
507.35428	10.0
549.36285	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	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71829	5.1
58.69647	4.0
59.01092	7.1
59.01381	100.0
70.06814	19.4
71.01370	14.8
73.02937	8.8
83.01380	5.4
85.02948	8.4
90.23801	4.2
98.20575	5.9
99.00911	5.2
101.02433	7.7
113.02468	10.8
135.04503	5.4
161.02534	6.0
234.11925	4.6
338.42130	5.2
345.30087	5.2
435.26428	4.7
489.34326	63.6
490.35010	6.4
507.35315	26.4
522.85944	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	593.2639
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
53.33386	0.7
59.01387	3.2
61.98834	11.1
63.96233	1.1
69.03462	1.0
71.01385	6.4
71.64288	1.2
73.02933	1.5
78.98589	5.6
79.95741	8.9
80.96519	62.0
81.03442	0.8
85.02959	2.6
87.00882	2.0
94.98087	14.5
96.96030	1.0
97.02967	1.5
101.02449	2.8
106.98093	2.7
113.02422	0.9
121.02972	4.2
122.97556	3.6
125.02428	3.2
127.04015	0.9
134.97563	3.8
136.99126	1.7
143.03488	0.7
148.99129	5.0
152.98624	6.7
161.02397	1.4
164.98634	10.8
203.32492	0.7
203.34309	0.7
206.99698	2.7
207.71339	0.8
209.04582	1.4
225.00760	14.1
293.21243	1.6
299.04395	3.2
299.07263	0.7
344.50754	0.8
433.79785	0.8
593.26361	100.0
594.26654	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	593.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02108	1.6
57.03435	2.4
59.01381	81.3
61.98818	6.1
65.06329	1.7
69.03474	1.5
69.58142	10.0
71.01398	15.8
72.99300	3.9
73.02943	15.8
73.59306	1.4
74.94567	1.5
78.95905	1.9
83.01382	5.2
85.02937	6.6
85.59501	1.3
87.00889	3.2
89.02446	9.5
94.97937	1.7
95.34666	1.9
96.96039	2.2
99.00851	2.6
101.02449	14.4
113.02444	3.6
116.92885	2.6
117.03434	4.2
119.03558	2.9
119.05032	8.6
123.04575	2.3
133.02985	2.8
134.06136	2.2
135.04491	6.7
137.02461	3.9
138.45816	1.5
141.94957	1.6
145.02959	20.6
152.99579	3.3
161.02435	6.5
161.04495	2.9
163.04022	7.3
179.03517	3.6
181.05014	2.1
191.46281	1.8
265.21307	1.6
344.37250	1.7
371.11234	4.4
403.26492	1.8
483.28323	2.1
489.26782	1.9
507.27939	1.8
531.27936	5.7
533.31177	36.7
534.31830	4.0
549.29138	100.0
550.29590	11.0
593.21716	4.1
593.30353	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	593.283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01383	97.8
61.98821	6.3
71.01388	27.3
71.65366	2.2
72.99309	4.3
73.02949	16.3
74.10597	1.8
83.01393	5.9
83.05030	3.1
85.02937	12.2
87.00885	2.8
89.02441	10.7
93.03474	5.0
95.01394	3.3
97.02965	2.3
99.00914	2.6
101.02445	22.7
108.02196	2.0
109.02972	5.8
111.00832	2.2
113.02462	14.1
117.03482	2.2
119.03510	4.3
119.05022	5.3
123.04534	2.3
125.02403	1.7
133.02942	2.9
135.04568	9.4
136.01662	13.0
137.02553	12.2
139.03972	2.5
145.02921	2.7
151.00363	2.9
151.04016	17.4
152.04372	8.1
161.02472	11.2
161.04491	4.3
163.03996	5.1
166.02660	8.4
167.03137	4.8
175.03946	3.4
177.01945	2.3
177.09238	3.0
179.03479	5.7
179.07147	3.2
181.05087	9.3
182.05400	3.9
183.05502	2.7
193.05103	2.1
205.05150	2.4
225.16052	4.9
239.09187	4.9
283.10364	2.9
283.19077	1.8
327.21716	4.5
345.22546	3.0
358.10159	2.4
360.15173	1.9
372.11948	1.7
373.18533	6.0
387.14438	15.4
388.14774	15.2
389.15173	27.9
401.14322	2.3
405.62878	1.8
407.05585	1.8
429.24606	4.8
431.13254	3.7
431.22864	31.3
432.23352	2.2
447.26004	2.8
451.32767	5.0
481.64752	2.3
489.27209	2.1
507.28174	2.6
531.27979	7.9
549.29144	100.0
550.29645	13.0
562.18323	2.1
593.23669	2.0
593.28168	2.2
593.43738	3.6
594.37848	2.1
607.93237	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	593.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38904	0.5
58.96220	0.5
59.01367	2.3
59.71289	0.5
61.98825	4.1
63.96234	1.6
67.72433	0.5
69.39090	4.7
71.01382	5.8
73.02941	1.5
75.00885	0.7
75.43057	0.4
78.98593	5.0
79.95258	1.2
79.95738	29.3
80.96516	46.8
85.02946	3.3
85.24693	0.5
87.00872	1.7
94.98083	11.1
96.95987	1.3
97.02961	1.3
99.00891	0.7
101.02422	2.1
106.98084	2.3
113.02431	1.1
122.97590	3.1
125.02453	2.1
133.02953	0.6
134.97572	3.5
136.99133	1.3
148.99126	4.4
152.98647	5.2
161.02449	0.8
161.04558	1.5
164.98637	7.3
167.00102	0.9
175.15771	0.6
181.16959	0.6
206.99648	2.6
225.00729	13.3
241.00237	3.0
259.05869	0.5
293.51547	0.5
299.04367	2.6
315.03891	1.3
371.06396	3.3
385.08032	1.6
399.09482	0.8
400.66953	0.5
413.11050	0.9
424.08478	0.6
455.15924	1.7
484.71216	0.6
495.19070	1.5
523.18414	0.8
557.81604	0.8
593.26373	100.0
594.26715	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	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01377	2.0
61.98839	0.7
63.96227	0.9
69.03449	0.4
69.34789	0.5
69.35129	3.9
71.01385	5.6
73.02951	0.9
77.44315	0.4
78.98601	4.9
79.78384	0.4
79.95740	32.7
80.96517	49.3
81.03455	0.5
85.02955	2.7
87.00880	2.1
94.36531	0.4
94.98086	12.2
95.01399	0.4
96.96007	0.9
97.02938	1.3
99.00882	0.8
101.02418	2.2
106.98092	2.4
113.02465	0.9
122.97611	2.4
125.02456	2.1
127.04014	1.0
134.97585	3.6
136.99142	1.2
148.99138	4.4
152.98611	4.9
161.04567	1.1
164.98625	9.4
195.13968	0.6
206.99689	2.8
225.00732	14.0
241.00241	2.7
293.21185	1.0
299.04288	3.1
315.03934	0.9
341.05307	0.9
371.06610	3.0
385.08118	0.8
399.09674	1.7
413.11157	1.5
427.12897	0.9
441.14453	0.8
448.06235	0.4
455.15872	2.8
495.18954	2.6
523.18707	0.9
524.19354	1.1
593.26367	100.0
594.26648	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	593.1511
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
53.80260	0.5
57.39372	0.4
59.01373	0.6
71.01382	1.1
74.47913	0.4
79.01891	0.8
83.01392	0.6
92.84032	0.4
93.03452	2.2
98.20614	1.5
117.03470	4.6
119.05022	1.4
126.07144	0.5
133.06560	0.6
135.04533	2.9
145.02968	0.5
147.04506	0.9
149.02426	1.2
149.06094	0.5
150.04764	0.5
159.04526	0.9
161.02486	2.8
163.03999	2.0
175.03995	1.4
177.05548	1.7
179.03513	1.0
187.04126	0.5
189.01923	0.7
189.05563	0.6
191.03490	1.6
197.06076	0.8
203.03490	1.3
205.05037	0.6
215.03369	0.5
217.05066	0.9
221.04463	0.6
223.07802	0.5
233.04492	0.7
237.05641	0.7
245.04622	0.7
253.08414	0.5
255.06587	0.5
267.06665	1.2
268.07343	1.7
281.04477	1.2
282.05280	2.1
283.06061	3.2
295.06076	5.8
296.06815	2.9
297.07654	21.8
298.08057	1.7
307.06015	2.3
309.07620	1.7
310.08279	0.5
311.05515	2.9
319.06104	0.5
321.07715	0.6
323.05624	4.1
324.06198	0.9
325.07153	10.0
326.07544	0.8
328.05887	3.2
329.50815	0.5
335.05551	2.1
337.07169	2.9
353.06653	46.3
354.06998	4.4
355.08279	1.4
356.05252	1.4
365.06686	4.7
366.07117	0.6
367.07886	0.5
383.07709	26.5
384.07977	2.4
395.07703	2.6
407.07761	0.8
413.08810	2.1
425.08560	0.9
455.10043	0.7
473.10864	17.2
474.11078	1.6
485.10986	0.7
503.11987	4.1
504.12537	0.6
570.59387	0.5
575.14020	0.9
583.49408	0.5
593.15106	100.0
594.15485	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	591.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
98.19866	2.9
98.29506	0.9
110.17381	1.0
128.14320	1.0
133.71817	1.0
136.23677	0.9
160.77965	0.9
203.85669	0.8
355.66275	1.0
607.17865	1.0
614.46759	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	591.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74583	0.6
61.98832	100.0
70.94910	1.5
131.00880	0.6
153.98613	0.7
157.48668	0.6
263.55762	0.7
273.40042	0.7
322.21344	0.7
323.11530	0.6
584.64417	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	592.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05788	5.1
52.82718	4.3
53.52954	4.4
58.71124	5.3
59.01385	6.5
59.78087	4.4
61.98827	66.1
71.01405	7.7
75.00877	7.7
77.89695	5.0
78.95890	7.9
83.30278	4.5
85.02925	8.0
96.96011	100.0
96.96942	8.0
113.02449	17.3
143.71239	5.1
152.99608	5.3
195.85310	4.6
196.83626	4.9
248.13451	4.8
272.25171	5.6
279.23306	39.6
327.40259	6.0
529.30200	97.8
530.30682	12.2
594.51312	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	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93315	0.2
52.56796	0.2
59.01371	0.5
63.58302	0.2
69.39507	0.5
69.39903	1.8
73.68826	0.3
74.72445	0.2
77.03972	0.3
80.96520	1.2
91.01917	0.3
93.03410	0.2
94.98103	0.3
108.02177	0.3
120.02171	0.8
121.02956	100.0
122.03297	2.6
136.01634	0.5
148.99091	0.2
165.01920	4.4
180.05774	0.3
181.06593	2.6
197.06001	1.7
207.04524	0.7
209.04543	58.8
210.04854	2.0
223.04137	0.3
225.05600	2.1
257.09766	0.4
293.03964	0.2
301.08551	0.4
313.07315	1.4
357.06152	0.8
383.07669	0.9
398.53052	0.2
403.21262	0.3
415.85721	0.3
417.09814	1.0
505.11337	3.1
506.11777	0.6
549.10376	7.0
550.10547	0.9
593.12933	11.1
593.26331	2.0
594.13336	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	591.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
55.04032	1.6
55.28005	1.3
59.01381	100.0
60.01727	1.6
61.98837	1.9
71.01385	55.3
71.63376	1.8
73.02951	16.4
78.15224	1.3
78.95896	1.6
83.01384	7.0
83.05019	2.6
85.02953	24.9
87.00893	2.7
89.02459	7.2
95.01368	4.1
97.02910	2.2
99.00860	8.5
101.01773	1.8
101.02444	36.3
109.02969	3.2
113.02460	22.3
113.06144	2.2
116.92845	1.6
119.03449	1.5
119.05035	2.5
125.02419	3.4
131.07103	2.7
135.02956	2.4
135.04495	2.2
143.03526	2.5
157.20782	1.2
159.02946	4.4
159.06586	1.3
161.04559	32.0
163.03976	5.0
167.70239	1.2
236.26059	1.3
285.18655	2.7
293.12411	3.2
303.19534	3.5
309.04062	3.7
321.20740	2.0
333.20508	1.5
351.21805	27.9
352.22058	2.7
369.22903	2.5
399.19559	1.8
471.25958	2.3
483.26126	2.3
495.26309	3.7
501.26944	2.4
513.26996	78.7
514.27271	9.1
531.28131	44.5
532.28455	6.3
591.30164	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	591.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21593	2.1
56.50491	2.4
57.03441	2.6
59.01382	100.0
61.98831	4.0
68.96016	2.7
71.01396	15.1
73.02950	4.5
75.00875	11.0
78.17124	2.3
82.37062	2.3
85.02955	9.5
89.02460	3.4
94.51862	2.5
95.01367	3.2
96.96021	13.1
98.95605	8.4
99.00856	2.4
101.02454	12.0
113.02441	10.6
113.67100	2.3
117.80074	2.7
119.05027	4.1
134.06126	6.1
135.04518	6.7
141.01923	3.9
143.03487	4.4
145.02911	3.1
161.02477	4.1
161.04581	5.5
163.04039	2.8
164.04399	2.4
239.09244	2.7
250.07610	2.8
265.09714	4.7
276.42761	2.9
278.07001	4.9
279.07895	3.8
293.09271	7.3
296.59171	2.4
297.24164	2.4
337.08191	6.4
345.30063	8.5
425.15381	2.4
432.39246	2.8
456.19376	3.0
487.32748	36.8
488.33011	4.9
501.18701	3.4
505.33588	17.0
545.17859	10.3
547.23651	3.0
560.20667	17.0
577.20624	4.0
590.73932	3.2
591.22369	11.2
592.23126	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	591.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09253	1.3
55.01894	1.7
57.03438	3.6
59.01383	82.0
61.98825	3.3
65.69523	1.5
69.03461	2.2
69.66965	7.7
71.01383	24.0
71.05027	1.5
72.99318	3.1
73.02946	12.5
78.00510	1.2
83.01389	4.1
83.05019	2.1
85.02947	9.0
87.00881	3.8
89.02425	6.4
93.03448	2.1
96.96042	1.6
98.19767	2.1
99.00906	2.4
101.02445	14.8
101.42595	1.3
104.67021	1.2
107.05085	1.4
109.02976	3.3
111.04564	1.6
113.02472	8.0
116.92820	1.9
117.61528	1.3
119.03509	2.1
119.05042	4.6
121.02942	8.9
126.22254	1.4
134.06145	4.4
135.04529	11.6
137.02460	2.1
145.02936	2.7
147.04506	2.2
151.03951	1.6
161.02464	7.0
161.04562	4.1
161.09720	3.9
162.05644	1.6
163.04004	2.9
179.03499	3.5
179.86322	1.4
180.06686	6.2
181.05113	2.3
187.11287	3.9
189.09248	1.6
190.05043	2.1
205.12421	1.6
223.13399	5.3
225.11337	2.4
231.10297	1.8
266.05661	2.5
267.06540	2.1
267.12335	3.9
269.04550	4.2
269.32144	1.6
283.09857	2.3
294.05304	2.0
309.07693	5.9
323.09308	1.8
325.20294	3.5
336.48434	1.5
339.08716	6.8
343.21216	4.7
353.06686	8.2
369.12946	8.6
397.14319	1.8
427.15305	3.5
429.17755	9.2
430.18405	1.9
457.16278	8.1
469.15933	2.4
471.18784	6.7
487.17188	3.2
487.24951	2.3
501.19598	2.8
505.26471	3.5
529.26495	6.8
531.20947	5.2
547.19836	3.6
547.27588	100.0
548.27802	11.4
591.22644	7.3
591.32153	3.5
592.24164	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	591.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01382	73.4
69.03446	1.4
71.01381	22.2
71.64500	1.8
72.99271	1.0
73.02945	23.8
75.28047	1.0
78.95907	2.6
83.01384	7.4
85.02956	1.7
87.00891	1.6
89.02440	4.7
93.03478	3.6
95.01389	1.2
96.96983	1.6
101.02452	18.5
109.02945	19.1
111.89057	1.3
113.02491	5.4
113.03172	1.0
114.07446	1.0
119.03530	3.1
119.05028	5.0
131.03508	1.2
133.02924	1.7
135.04526	10.9
137.02480	5.5
142.77391	1.1
145.03023	1.3
146.03711	1.3
147.04543	8.4
149.11755	1.1
159.04512	26.4
160.04839	1.1
161.02426	3.5
161.04579	4.6
161.05943	1.0
163.04042	3.2
169.65845	1.1
179.03493	4.5
179.10960	1.2
190.51062	1.1
201.77727	1.1
205.59251	1.2
233.09517	1.7
256.80923	1.1
258.44543	1.2
269.08224	11.9
313.07095	1.8
325.20200	2.0
332.73883	1.1
340.02087	1.4
343.21228	2.3
357.06094	1.7
376.95236	1.3
387.14359	1.6
505.26218	2.5
529.26605	8.6
547.27582	100.0
548.28027	11.9
591.20648	1.9
591.93469	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	591.2478
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
59.01386	3.2
61.98833	8.2
63.96218	0.9
67.52069	0.5
69.03468	0.7
71.01374	6.3
71.65776	0.7
71.77123	0.5
73.02937	1.6
78.98592	5.3
79.95739	10.6
80.96518	61.4
81.03452	0.7
85.02953	3.3
87.00870	3.0
89.02442	0.8
94.98086	14.6
95.01418	0.7
96.96016	1.7
97.02940	1.6
101.02437	2.4
106.98088	3.0
122.97573	2.6
125.02431	2.1
127.04082	0.6
134.97572	4.6
136.99156	1.8
145.02899	1.0
148.99146	5.6
152.98640	5.3
161.02466	1.1
164.98640	10.3
179.03464	0.7
188.98663	0.6
201.34973	0.6
202.34695	0.5
206.99693	2.2
220.74689	0.6
225.00735	13.5
291.19632	1.6
299.04330	3.2
324.29013	0.6
339.02576	0.5
350.78662	0.6
371.06506	0.6
380.36182	0.5
387.25311	2.3
441.29901	0.7
454.57086	0.5
591.24719	100.0
592.25104	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	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.31697	0.6
68.94979	0.5
70.31899	1.2
84.22961	0.4
85.45749	0.5
86.40714	0.5
86.41278	0.5
153.32066	0.5
191.63644	0.6
237.93326	0.6
369.09485	0.5
430.17917	1.0
443.22525	1.8
444.19589	0.9
445.19730	1.4
455.22464	1.1
456.23444	0.9
457.20587	0.8
458.21030	0.7
459.21964	2.3
471.20584	0.9
471.25580	3.1
472.23148	2.5
473.23709	1.1
482.20987	1.5
485.19907	2.0
487.25818	2.9
497.23413	4.2
499.21240	4.2
500.22217	12.5
500.28516	0.6
501.22226	1.4
514.23755	0.9
515.24542	100.0
516.24829	12.8
559.23352	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	591.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58822	0.6
59.01384	8.4
59.97860	0.7
61.98830	0.6
69.48412	3.2
69.48825	1.5
71.01385	2.0
73.02941	1.7
75.26780	0.7
76.59175	0.6
83.01362	0.7
85.02969	1.6
88.62220	0.6
89.02419	0.9
93.03419	1.3
95.01373	1.2
99.00860	0.7
101.02439	1.8
105.03477	0.8
108.02174	1.2
109.02940	1.5
113.02451	0.7
115.09692	0.8
116.92928	0.8
119.05034	0.7
121.02960	3.5
122.03706	0.9
123.00873	1.5
123.04518	0.8
133.02948	1.5
134.03632	1.0
135.04553	8.4
136.01663	35.3
137.02487	6.7
139.04004	0.8
145.02930	0.9
148.37231	0.6
149.02463	0.9
151.00374	9.6
151.04012	46.3
152.01158	1.3
152.04567	2.0
159.04532	0.9
160.01547	1.0
160.05313	0.8
161.02414	2.5
161.06020	0.6
162.03127	0.9
163.04030	1.7
164.04788	0.9
166.02710	29.9
167.03326	2.1
172.19324	0.7
173.58916	0.6
174.06812	1.8
175.03990	2.5
175.07526	0.6
177.01900	1.4
179.03470	6.1
181.05067	37.0
182.05435	1.1
189.05592	0.6
231.10255	1.8
283.88419	0.7
299.09103	0.7
310.10797	1.1
329.10352	1.6
343.21225	1.0
355.92740	0.7
357.09769	12.3
357.14011	0.8
358.09897	1.0
372.12073	6.3
387.14496	100.0
388.14850	10.7
414.39893	0.7
429.17831	1.2
547.27625	6.3
591.20667	6.2
592.19995	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	591.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
61.98847	0.7
68.64213	0.3
69.52749	0.9
69.53173	1.9
69.58780	0.4
71.01382	1.7
72.99303	1.1
73.02966	0.7
83.01381	1.2
85.02964	0.9
87.00914	0.6
87.97335	0.4
88.98811	1.3
89.43988	0.4
90.05024	0.4
95.01398	0.4
96.96011	0.7
97.06637	0.4
101.02469	1.3
107.05040	1.2
109.02966	1.4
113.02461	0.7
119.05048	1.4
123.04519	0.8
133.02986	1.1
134.03708	3.6
135.04527	100.0
136.04849	3.3
137.02446	0.7
145.02982	0.9
146.31688	0.4
147.04611	0.5
152.39397	0.4
159.04509	0.6
161.02454	3.9
161.09734	0.8
163.04065	1.3
175.04108	0.5
179.03500	89.7
180.03865	3.3
187.11346	1.0
189.09169	1.3
193.05144	0.5
197.04601	1.6
199.05998	0.4
205.12335	0.6
207.10324	0.6
223.13469	1.1
231.10295	0.8
249.11322	1.4
267.12430	0.7
269.07935	0.5
273.11246	0.5
297.09824	1.1
327.22034	0.5
333.13364	0.6
341.08777	2.1
342.08890	0.4
343.20877	0.4
345.22876	1.4
351.14825	0.5
378.02979	0.4
411.16644	6.7
412.16748	0.5
429.14069	0.7
531.18506	0.7
547.21295	2.6
591.20764	8.2
591.33911	1.5
592.20953	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	591.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.6
58.00600	0.9
59.01383	38.8
61.98846	1.4
66.86318	0.8
69.03484	1.0
71.01385	24.1
71.64906	1.4
72.99301	2.4
73.02941	2.2
80.92237	0.8
83.01384	1.7
83.05029	2.4
85.02959	6.1
87.00876	10.1
89.02448	25.2
93.37431	0.8
95.01408	1.9
97.02938	1.1
97.06599	2.2
99.00899	1.1
99.04519	0.8
101.02448	15.6
107.05025	4.6
109.81182	0.7
113.02457	11.3
119.03504	8.4
120.05814	2.0
125.02432	2.4
131.03471	0.8
135.04517	4.3
137.02512	1.2
143.03539	3.0
149.04530	1.1
161.02473	1.9
161.04567	10.1
161.09732	9.1
161.13347	4.3
163.11255	4.4
179.05624	18.0
187.11284	16.0
189.09242	7.3
203.10803	1.9
205.12332	8.6
207.10266	4.3
223.13405	3.3
231.10208	1.2
249.11319	15.8
267.12344	1.8
341.10916	15.2
342.10968	1.1
385.18790	1.3
411.16547	1.9
429.17645	4.6
573.21875	2.9
591.22961	100.0
592.23291	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.6
59.55490	0.8
61.98843	2.1
71.01412	1.4
71.52610	0.9
71.66111	1.6
72.99339	1.9
75.00873	100.0
76.01228	1.2
89.02440	1.1
100.28615	1.1
101.02447	1.2
116.92901	1.3
135.13713	1.1
161.02461	2.4
161.04510	1.0
277.21655	2.0
471.34778	22.1
472.35153	2.6
554.27332	1.3
589.38373	2.4
590.24622	3.9
612.41620	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	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02216	1.2
59.01378	21.0
61.98829	8.1
65.29205	1.3
69.90096	7.4
71.01376	3.7
73.98329	1.4
89.02462	4.1
91.79227	1.3
94.72809	1.4
101.02450	5.9
113.02436	2.1
113.09726	3.7
113.12590	1.2
119.03575	1.4
121.10229	2.1
135.04515	2.9
161.02490	3.1
161.04492	3.2
171.10170	6.7
183.13921	3.1
185.00864	1.3
189.04346	1.3
225.35475	1.3
226.68617	1.6
235.16971	2.0
253.09267	22.5
254.09647	2.0
254.56140	1.4
262.21613	1.3
275.20111	12.3
293.21228	100.0
294.21609	7.5
384.97009	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	590.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13906	1.0
59.01383	26.9
61.98835	18.3
71.01384	2.2
71.62898	1.2
72.99310	11.2
77.57644	1.0
85.02962	1.9
85.12098	1.0
87.00888	1.2
89.02444	1.5
101.02466	2.5
109.03014	1.0
110.86534	1.0
113.02486	1.0
116.05056	2.3
121.03017	1.3
123.30669	1.0
132.02197	1.6
133.02969	21.7
134.06146	3.3
135.04527	7.6
137.02432	2.5
142.06642	6.1
145.02956	1.6
147.03313	1.9
151.04031	1.3
161.02446	100.0
162.02785	4.2
164.04788	6.5
179.03535	5.0
179.07173	5.7
198.33994	1.1
218.04465	1.4
231.10062	1.2
239.11841	1.5
251.50339	1.0
261.05896	1.1
291.11453	2.5
302.89990	1.0
347.10306	1.6
365.11377	12.6
400.16467	1.3
487.32535	1.2
507.22003	1.2
527.14471	6.0
547.23102	2.8
591.22937	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	590.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13906	1.0
59.01383	26.9
61.98835	18.3
71.01384	2.2
71.62898	1.2
72.99310	11.2
77.57644	1.0
85.02962	1.9
85.12098	1.0
87.00888	1.2
89.02444	1.5
101.02466	2.5
109.03014	1.0
110.86534	1.0
113.02486	1.0
116.05056	2.3
121.03017	1.3
123.30669	1.0
132.02197	1.6
133.02969	21.7
134.06146	3.3
135.04527	7.6
137.02432	2.5
142.06642	6.1
145.02956	1.6
147.03313	1.9
151.04031	1.3
161.02446	100.0
162.02785	4.2
164.04788	6.5
179.03535	5.0
179.07173	5.7
198.33994	1.1
218.04465	1.4
231.10062	1.2
239.11841	1.5
251.50339	1.0
261.05896	1.1
291.11453	2.5
302.89990	1.0
347.10306	1.6
365.11377	12.6
400.16467	1.3
487.32535	1.2
507.22003	1.2
527.14471	6.0
547.23102	2.8
591.22937	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	590.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57895	1.9
58.17003	1.8
59.01369	8.5
61.98833	81.3
62.97965	2.0
71.01383	13.5
71.66140	2.5
72.99310	3.8
73.26956	1.7
75.00878	9.6
78.87103	1.9
78.95941	2.9
85.02956	13.7
87.00873	3.5
89.02443	4.5
95.01382	3.4
99.00871	8.0
103.00351	3.1
113.02472	21.8
115.00452	2.0
116.92849	2.0
133.02933	2.2
135.04477	4.7
161.02435	5.1
179.03471	2.7
223.14624	2.2
249.06052	3.8
267.07272	3.4
277.21716	41.8
278.22098	2.1
285.44473	2.1
289.15488	2.6
333.88831	2.2
505.25058	2.1
527.28607	100.0
528.28882	12.1
617.42114	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	587.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.42342	0.6
60.01705	0.8
61.17042	0.5
61.98831	18.0
62.78874	0.5
71.65904	1.1
72.99329	0.6
82.25798	0.6
96.96996	1.1
99.92573	4.6
99.93122	0.5
100.93375	1.6
111.87808	0.7
115.92075	43.9
116.92105	2.1
116.92896	1.9
117.03494	2.5
119.05042	1.2
126.37203	0.6
132.80522	0.6
132.92345	0.7
133.02965	1.4
135.04559	1.1
145.02957	9.4
160.01677	0.8
161.02495	2.7
179.03540	0.8
302.27170	0.6
487.34106	5.3
567.70758	0.7
587.27240	25.2
587.37622	9.3
588.28705	6.2
588.37842	1.1
601.24622	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	589.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.1
61.98829	32.8
69.40102	5.6
71.01393	2.1
72.64941	0.9
72.99308	1.5
79.95734	3.1
85.02967	1.0
89.21110	0.7
94.38751	0.9
96.96008	100.0
99.81918	0.8
101.02459	1.0
113.02461	1.8
117.03471	11.3
119.05023	15.6
133.02954	3.1
135.04506	5.6
145.02953	46.5
146.03339	2.7
149.06078	3.5
161.02464	5.7
163.04013	35.9
163.05396	1.6
164.04385	1.5
179.03438	4.2
209.11845	0.9
311.05609	1.6
377.80042	0.8
401.91013	0.9
422.12543	3.2
482.14569	14.4
483.15176	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	589.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39930	0.4
59.01119	0.4
59.01379	2.4
61.98832	100.0
68.24729	0.4
68.99808	0.6
71.01382	0.7
71.62916	0.5
72.99321	1.1
73.02950	0.6
80.91718	0.5
83.94971	0.3
85.02995	0.5
93.03534	0.5
101.02464	0.5
104.83355	0.4
113.02438	0.7
117.03465	1.7
119.05030	17.0
120.05363	0.6
133.02998	0.7
135.04552	1.8
143.05034	5.2
145.02962	6.3
161.02444	1.8
161.04616	1.0
161.06088	0.5
163.04010	39.9
164.04411	1.6
177.01924	2.1
179.03491	0.8
187.04005	9.5
239.09364	1.0
295.06314	0.5
311.05624	0.7
383.45770	0.5
418.52271	0.4
422.12781	0.6
440.14294	0.4
482.14639	4.6
483.14935	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87470	0.3
69.30956	3.9
72.99301	1.6
75.00874	100.0
76.01201	0.6
87.52044	0.4
98.20630	0.7
137.49869	0.4
139.53336	0.4
153.24074	0.4
194.55153	0.4
273.17334	0.4
277.21634	0.7
390.88602	0.4
445.90781	0.4
543.99481	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	587.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
60.72815	0.5
61.27182	0.6
61.98830	15.3
63.24886	0.6
67.18314	0.5
69.85658	3.4
71.01373	0.6
78.95912	1.3
81.82546	0.6
96.96964	1.7
99.92581	10.2
100.90468	0.8
100.92638	0.7
100.93365	3.2
115.92075	100.0
116.92078	3.7
116.92862	5.8
132.92352	1.3
133.02951	2.3
161.02399	3.9
162.87085	0.6
175.37639	0.6
177.01874	1.1
178.02710	2.1
179.03444	0.9
186.10577	0.6
225.43040	0.6
238.07759	0.6
267.30679	0.7
397.45514	0.6
469.33142	0.8
487.34174	3.8
569.25439	1.2
587.26825	61.0
588.27527	15.8
601.24554	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52483	1.7
58.00608	2.2
58.87193	1.6
59.01380	100.0
61.98834	10.4
62.39106	1.3
69.24063	1.7
69.30431	17.4
71.01382	46.0
72.99309	18.2
73.02948	33.1
75.00896	1.8
78.95882	2.2
81.03477	2.0
82.00374	1.7
83.01391	11.6
83.05058	2.2
85.02941	8.1
87.00854	3.8
88.98792	4.0
89.02448	15.1
93.03421	2.5
95.01355	3.9
95.13744	1.9
96.96019	3.2
97.02950	2.6
99.00856	2.9
101.01847	3.1
101.02448	33.4
109.02911	5.3
113.02454	22.1
116.92843	2.2
117.03455	14.4
119.03473	2.7
119.05016	10.0
121.02969	2.9
123.04504	4.1
126.90489	3.9
131.03442	3.4
132.02208	1.9
133.02956	29.7
134.03738	2.2
135.04532	40.1
137.02388	4.5
143.03494	4.8
145.01859	3.2
145.02956	44.0
149.02455	2.4
149.04504	3.8
151.04042	1.9
155.03474	1.7
159.04442	3.1
161.02437	92.6
161.04398	8.6
162.02751	3.5
163.04030	11.8
163.11319	2.4
173.06065	1.9
175.03986	3.2
177.05504	2.0
178.02708	3.2
179.03477	31.2
179.05585	5.0
180.03889	2.4
187.03984	4.2
190.06343	2.4
197.04549	4.3
202.06369	2.6
209.11789	12.2
262.96692	1.6
267.06555	5.8
283.13266	7.9
288.67874	1.8
293.10144	2.0
301.14383	2.7
307.36804	1.8
309.14908	1.9
311.05493	6.4
327.15918	6.5
333.16592	1.7
407.17123	5.2
439.14127	4.0
441.13919	2.2
483.29440	4.0
499.15976	6.5
501.30746	6.7
587.14569	4.1
587.30487	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	587.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17943	2.4
59.01383	24.5
68.99814	6.6
69.47266	6.0
69.47679	14.1
71.01373	3.7
72.99313	2.5
83.01425	2.5
85.02951	3.3
104.44814	2.3
113.02472	2.3
113.35390	2.4
117.03468	22.3
119.05030	77.8
119.05890	4.6
120.05336	3.3
128.13350	2.4
130.38486	2.7
133.02956	8.9
135.04506	9.4
143.05029	33.9
145.02960	45.2
146.03230	4.0
161.02455	19.7
163.04010	100.0
164.04352	5.8
179.03484	5.9
181.97244	2.4
187.04002	71.8
215.02077	2.7
217.44283	2.5
406.49933	2.9
439.13925	10.5
457.14798	2.8
499.16119	11.9
500.16998	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	585.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56097	0.4
57.03442	0.4
57.94217	0.4
58.02810	0.4
59.01383	22.5
61.98829	5.0
69.36137	2.6
69.36541	1.2
71.01381	5.5
72.99309	5.7
73.02943	1.4
75.25306	0.5
83.01334	0.7
85.02943	1.4
86.44108	0.5
87.00866	0.7
89.02456	3.0
93.03481	2.2
96.95989	1.6
99.00896	0.8
101.02440	3.1
106.04230	0.6
107.05019	1.4
113.02454	1.4
119.03502	0.7
119.04996	1.0
123.04509	0.9
125.09701	1.3
133.03035	0.5
133.06540	0.5
135.04517	2.0
135.08176	4.0
137.02438	3.3
141.09209	1.0
145.03014	0.6
151.07666	1.4
153.05606	0.5
153.09213	18.0
154.09491	0.7
161.02399	1.3
163.03992	1.4
163.11279	1.7
167.10814	0.6
169.08696	3.1
171.10295	2.5
177.09189	0.8
179.03459	0.6
179.07097	1.3
193.04980	1.2
197.04652	0.6
197.08180	4.0
207.10272	2.5
215.09224	20.2
216.09558	0.6
225.11282	0.8
239.09215	1.0
257.10284	2.8
369.15433	0.8
387.16547	4.5
523.25659	0.6
525.23413	1.6
567.24628	1.2
585.25500	100.0
586.25891	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	585.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92681	0.2
52.32351	0.2
61.98832	100.0
62.98534	0.2
65.43547	0.2
70.80812	0.4
70.81165	0.2
76.74960	0.2
77.73342	0.2
78.95909	0.8
108.50860	0.2
121.50327	0.2
152.99565	0.3
217.51479	0.2
283.26468	1.6
284.26843	0.5
285.27185	0.3
351.70001	0.2
408.53964	0.2
508.33969	1.3
509.34393	0.3
511.35178	0.3
535.84235	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	584.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	36.6
61.98832	100.0
69.49913	1.8
69.50340	2.3
71.01391	2.5
72.99310	6.4
73.02963	1.2
77.23208	0.5
81.17851	0.6
85.02969	1.4
93.03422	0.5
99.00859	0.6
101.02459	2.1
102.22698	0.6
105.92332	0.6
113.02477	1.2
115.82660	0.5
116.92893	1.1
117.03452	0.5
121.02972	3.8
126.90552	1.2
133.02945	3.2
134.03363	0.6
135.04515	2.5
137.02411	0.7
145.03008	1.1
161.02469	7.6
161.04585	0.8
162.02812	1.9
175.07715	0.6
178.02754	0.9
179.03528	1.3
187.04105	0.7
187.07683	0.7
211.53407	0.6
229.19385	0.6
316.16287	0.8
390.16415	0.9
404.18143	1.0
421.18759	3.4
422.19006	6.0
435.20142	3.1
477.21243	0.8
503.34186	1.9
545.89130	0.7
585.34381	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	585.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13014	2.0
57.39405	1.9
61.98803	3.1
63.43298	2.1
71.01376	4.1
71.62115	3.4
73.21863	2.0
74.63750	2.2
78.95885	4.0
93.03455	40.2
96.95999	14.5
96.96964	3.9
108.70850	2.1
127.75780	1.9
137.02441	100.0
192.42998	2.3
255.20401	2.2
299.07629	15.7
446.08771	2.3
607.52228	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	585.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91568	0.9
59.01369	3.9
61.98832	22.7
71.62984	1.7
78.20345	0.9
78.95901	3.4
82.78603	0.9
86.95828	0.8
90.67442	1.1
96.96953	3.6
99.92583	28.8
99.93237	1.8
100.92671	1.2
100.93349	3.4
115.92080	100.0
116.92076	4.2
116.92864	13.9
117.92892	1.0
133.12733	1.0
135.04480	1.0
138.11519	1.0
139.93733	0.9
161.02411	2.3
173.89987	1.1
352.06805	1.1
485.32977	6.5
487.33463	1.1
489.19611	1.6
567.24237	2.7
585.25232	80.5
586.25983	17.0
599.23022	11.0
600.23767	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	583.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.4
61.66833	1.4
61.98806	4.9
65.58804	2.0
69.91094	8.7
72.99298	2.9
78.72208	1.8
85.02956	1.9
93.03457	5.6
96.96024	2.2
98.19900	2.2
102.83898	1.6
104.46878	1.8
107.05051	1.8
109.02949	4.0
113.02444	1.8
121.02843	1.8
123.00897	1.9
123.04528	2.8
124.01613	1.9
133.02966	3.7
135.04549	13.4
137.02438	13.8
149.02359	3.3
149.99580	2.8
151.04013	14.1
153.01920	2.6
161.02464	10.5
162.03217	28.2
163.03963	4.9
164.04790	4.4
165.01906	6.5
166.10362	1.7
176.04724	5.0
177.05551	7.9
179.03502	39.2
179.07076	14.7
180.04286	80.9
191.07201	3.0
193.05011	5.0
194.05853	22.9
195.06627	100.0
196.06955	3.8
197.04567	2.4
209.08195	82.8
210.08516	3.0
217.10260	2.1
225.07632	3.6
239.09151	2.8
249.07635	9.2
299.52911	1.7
357.11832	4.8
373.12860	7.7
403.13922	5.0
421.15152	11.9
583.10840	5.1
583.20398	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	583.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01382	42.9
61.98840	1.1
69.41389	8.5
70.56065	1.0
71.01387	17.9
72.99294	6.2
73.02947	23.7
83.01384	5.1
85.02940	3.3
89.02441	3.8
101.02448	16.5
106.06625	1.3
113.02464	3.6
133.02957	1.8
135.04596	1.9
149.09747	3.1
161.02425	4.2
167.10757	4.6
213.15341	1.0
232.15279	1.1
239.11761	2.4
257.83118	1.1
317.21005	1.0
389.16351	2.3
421.18945	1.5
479.24957	3.8
497.27646	9.8
521.27490	7.3
522.28290	1.2
539.28613	100.0
540.29053	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	582.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98031	0.3
59.01379	18.1
60.86086	0.4
69.55825	1.2
69.56243	1.5
71.01390	0.6
75.50506	0.4
78.95903	17.3
78.98608	0.6
79.95739	1.0
80.96516	7.7
83.59483	0.4
85.02918	0.6
88.94086	0.4
94.98080	1.8
101.02450	0.5
122.97590	0.5
122.98456	0.6
134.97545	0.6
148.99156	0.7
152.99638	2.6
164.98660	1.4
168.04291	2.9
224.06914	8.3
225.00691	1.6
242.08011	1.5
283.26410	100.0
284.26776	7.7
392.72626	0.4
480.60196	0.4
508.34055	67.8
509.34381	9.1
582.30292	15.8
582.37915	0.4
583.29987	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	583.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10241	0.9
59.01381	2.4
61.98841	1.8
63.89702	0.9
71.01408	1.1
73.02923	1.1
89.02458	1.5
93.03458	3.3
95.01402	1.0
109.02978	1.6
116.17358	0.9
121.02967	1.4
124.01676	1.1
133.02977	1.5
135.04509	3.1
137.02444	6.2
138.03174	1.7
149.02454	4.1
149.99599	2.5
151.04004	11.6
153.05513	1.1
161.02480	10.4
162.03227	28.9
163.03969	4.1
164.04828	6.5
165.01920	7.3
176.04713	6.0
177.01868	1.2
177.05563	5.5
177.89188	0.9
178.02684	1.1
179.03506	32.3
179.07077	12.1
180.04285	77.3
181.04820	4.5
191.07117	3.4
193.05058	5.5
194.05840	23.4
195.06627	100.0
196.06981	4.9
207.06599	1.0
209.08195	76.0
210.08562	3.3
225.07713	2.1
227.34491	1.1
249.07672	9.6
267.08792	2.1
313.05923	1.4
351.47440	1.0
357.11951	4.5
373.12872	7.3
385.12875	2.3
403.14114	5.6
421.15164	11.2
422.15128	1.3
529.29370	1.0
554.56354	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	582.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11282	0.2
59.01383	39.1
60.01714	0.3
61.98820	0.4
67.56040	0.2
68.99821	0.3
69.39235	0.2
69.39536	1.8
71.01392	1.0
74.74879	0.2
78.95909	0.7
80.05059	0.7
84.04566	0.5
92.05079	0.4
94.02988	0.4
94.06609	1.2
95.05020	0.3
97.01694	0.4
99.00895	0.6
104.05074	1.1
105.03441	0.3
106.06635	7.0
107.03822	0.2
108.02183	0.5
108.04555	0.5
109.02956	0.9
110.02483	1.7
112.04048	4.9
116.05065	4.4
116.05888	0.2
118.06662	0.6
120.04553	0.4
120.08213	0.3
121.02966	0.4
122.05433	0.1
122.06123	7.6
123.03268	8.7
123.06512	0.2
124.04057	6.9
130.02989	0.8
130.06659	0.5
131.03819	0.3
132.04562	8.0
133.04919	0.3
134.06123	79.9
135.04562	0.3
135.06450	2.7
136.04008	0.2
136.07692	1.0
138.05614	26.7
139.05960	0.6
140.07198	1.7
144.04546	2.7
145.05318	0.5
146.06126	2.5
147.03255	0.6
148.03996	0.7
148.07669	0.8
149.04778	0.2
150.05618	0.8
152.01167	0.9
152.07178	6.3
153.01877	0.3
153.07620	0.3
158.02480	3.7
158.06116	1.8
160.04039	17.1
161.04529	0.9
162.05592	0.8
164.03554	0.4
164.07195	3.0
166.05116	2.0
166.08778	0.6
172.04048	6.6
172.07526	0.3
173.04721	0.4
174.05609	1.2
176.03531	3.7
176.04982	0.3
176.07072	1.0
177.04132	0.3
178.08705	0.3
182.04573	2.0
183.05356	0.7
184.04274	0.4
184.06145	5.0
184.07739	0.4
185.04840	0.3
186.05576	1.2
189.04373	0.7
190.05096	14.4
191.05623	0.8
192.06662	45.5
193.07021	1.6
194.08218	2.6
195.09071	0.3
200.07213	0.4
202.05052	1.5
203.05800	0.3
204.06645	19.4
205.07162	1.1
206.08208	0.3
208.09831	1.2
209.10820	0.8
211.12402	0.8
212.04803	0.2
212.07158	0.3
212.10794	0.9
213.10533	0.2
216.06636	0.8
218.08214	2.1
219.09265	0.3
220.05833	0.2
220.10031	0.7
223.08766	0.5
223.12486	0.3
225.10211	0.3
227.11932	0.3
228.01689	0.2
228.06638	0.9
228.10258	0.5
232.95049	0.2
233.10870	0.2
234.07796	0.8
235.08762	0.8
235.12402	0.8
236.05580	0.2
236.09518	0.9
237.06343	0.3
237.10245	1.3
239.08292	0.6
239.11916	1.4
247.08752	0.5
248.09416	0.5
249.06693	0.8
249.10289	1.6
250.10947	0.5
251.08249	0.4
251.11932	2.2
252.08997	0.3
253.09767	0.6
253.13579	0.3
254.08188	0.3
254.10588	0.3
255.11407	2.8
256.09656	1.2
261.10309	0.4
263.08228	1.9
263.11917	0.7
264.08981	2.4
265.06821	0.3
265.09790	2.3
266.06949	0.6
266.10406	0.3
267.11365	2.7
268.09616	0.3
269.12958	0.5
269.38834	0.2
271.07169	1.1
272.09506	0.4
277.06534	0.3
277.09763	2.8
278.07385	0.3
278.10571	1.1
279.07983	0.5
279.11374	8.2
280.08783	0.2
280.11789	0.7
281.09348	3.2
281.12732	0.5
282.07468	0.2
291.07794	0.6
292.08530	1.2
293.09235	1.6
295.10876	1.3
296.11469	0.5
297.12280	0.3
299.10376	1.0
300.08682	0.2
305.09262	2.6
306.09845	0.3
307.10876	28.4
308.11246	2.3
309.08685	0.9
309.12418	1.5
311.10852	0.5
311.14011	12.5
312.14435	0.9
321.08890	0.4
323.10352	1.3
324.11118	0.5
325.11795	1.2
336.10965	0.3
337.11926	12.4
338.12552	0.9
339.13474	100.0
340.13770	7.4
355.12958	0.5
357.14529	4.3
358.15250	0.4
365.11322	1.5
367.12958	26.9
368.13419	2.7
371.16116	0.9
374.14706	0.3
374.18848	0.6
375.17087	0.4
397.14044	16.1
398.14355	1.4
399.15585	44.0
400.15955	4.2
402.18219	1.8
403.16635	1.0
418.13690	0.5
419.15997	0.7
428.16046	0.7
433.17770	0.3
434.17236	0.3
435.15515	0.3
446.17212	4.0
447.15900	0.9
460.18896	0.6
462.20517	1.8
463.18985	1.1
464.18399	0.4
472.14969	0.3
476.14575	0.7
477.15256	0.2
478.15674	3.8
479.18271	1.7
488.18286	2.5
489.18582	0.3
490.16342	1.2
504.17581	0.3
506.19296	18.1
507.18588	3.4
508.17618	0.7
510.18976	1.5
520.20703	1.4
521.20648	0.4
522.19037	1.1
532.17255	4.4
533.17548	0.5
538.21857	2.3
550.18304	35.4
551.18640	4.1
564.19751	4.6
565.20154	0.5
569.86072	0.2
582.20868	11.0
583.22803	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	581.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43188	0.5
59.01374	1.3
61.98819	0.4
63.96248	1.2
71.01387	6.2
71.54765	0.8
73.02944	1.9
78.95918	0.6
78.98589	4.9
79.95742	9.0
80.96519	55.3
85.02972	2.2
87.00869	2.2
94.98093	13.3
97.02955	1.6
99.00890	0.6
101.02441	2.1
103.17736	0.4
105.89632	0.4
106.98080	2.4
111.55090	0.4
116.85538	0.4
121.76390	0.4
122.97593	3.0
125.02444	3.0
127.03976	0.7
134.97585	4.6
135.04501	0.4
136.99121	1.0
148.99147	5.8
152.98642	4.5
164.98625	9.7
167.00197	0.6
179.03561	0.4
184.80791	0.4
203.97511	0.4
206.99617	2.0
225.00743	14.6
281.24930	2.4
283.26486	1.7
299.04404	2.7
479.71637	0.5
488.54016	0.5
493.31870	0.5
508.34265	1.8
546.09979	0.9
581.30005	100.0
582.30322	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	581.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28915	1.8
59.01374	6.5
61.98825	12.9
71.66066	2.2
72.99296	3.5
83.05028	3.4
118.26263	1.7
125.49593	1.7
132.30824	1.7
150.03217	3.6
161.02437	4.8
179.00925	1.5
198.17348	1.5
267.06638	2.6
322.09744	1.9
394.62317	1.7
421.01892	1.7
467.31451	9.8
485.32727	100.0
486.33139	15.7
487.33670	4.5
581.30231	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	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99226	0.2
52.24467	0.2
56.12130	0.2
59.01386	0.3
61.98831	100.0
62.98500	0.2
71.01093	0.4
78.95909	0.9
80.96545	0.4
80.98175	0.2
82.96111	1.8
82.96926	0.2
83.80687	0.2
96.27131	0.2
96.97658	0.3
108.97681	0.2
124.97198	0.2
149.02443	0.2
149.48889	0.2
152.99533	0.2
168.04283	0.2
184.04083	0.2
224.06995	0.2
279.23325	1.7
280.23682	0.5
281.23904	0.3
310.59680	0.2
366.52356	0.2
398.39047	0.2
403.05551	0.2
433.23767	0.2
504.30679	1.1
507.32022	0.6
581.27094	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	582.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	38.8
60.01703	0.3
60.12201	0.2
60.56460	0.2
64.43629	0.2
65.22459	0.2
67.74579	0.2
68.99818	0.4
69.68366	1.3
69.92335	0.2
71.01395	0.8
78.94315	0.2
80.05070	0.8
80.31432	0.3
80.45901	0.3
84.04569	0.6
92.05058	0.4
94.03008	0.5
94.06621	1.6
99.00866	0.6
104.05054	1.3
106.06625	7.0
107.03802	0.6
108.04566	0.5
108.08202	0.3
110.02477	2.0
112.04048	3.9
116.05064	5.3
118.06648	0.4
120.04564	0.3
122.05318	0.2
122.06118	7.6
123.03270	8.5
124.04049	5.8
130.02983	0.7
130.06627	0.6
131.03761	0.4
132.04552	8.6
134.06122	76.7
135.04517	0.3
135.06470	2.3
136.07692	0.8
138.05609	26.6
139.05972	0.6
140.07172	1.1
144.04539	2.3
145.05359	0.4
146.06128	1.7
147.03259	0.6
148.04050	0.7
148.07663	1.0
150.05597	1.0
152.07173	6.4
153.07486	0.3
156.04558	0.4
158.02469	3.6
158.06082	1.9
160.04042	18.3
161.04533	0.6
162.05608	0.6
163.40250	0.3
164.03572	0.3
164.07156	3.4
166.05081	2.5
166.08673	0.4
172.04060	6.4
173.04668	0.3
174.05586	1.0
176.03549	3.6
176.07133	1.2
182.04570	1.6
183.05365	0.6
184.04201	0.4
184.06146	4.2
186.05586	1.4
188.03557	0.3
189.04239	0.6
190.05092	13.1
191.05733	0.7
192.06657	42.7
193.06972	1.6
194.08231	3.5
196.07587	0.3
196.10072	0.3
198.05698	0.4
200.07146	0.4
202.05092	1.1
203.05978	0.4
204.06647	17.7
205.07167	1.1
206.08316	0.3
208.09822	0.8
209.07143	0.2
209.10835	0.6
211.12392	0.9
212.07201	0.4
212.10825	0.7
216.06622	0.9
218.08224	1.9
219.09174	0.7
220.09970	0.3
221.07057	0.3
221.10701	0.3
223.08742	0.4
223.12450	0.3
225.10344	0.3
226.08980	0.3
227.11986	0.4
228.06662	0.6
228.10286	0.7
234.07840	0.7
235.08752	0.7
235.12386	0.8
236.05560	0.5
236.09555	0.5
237.10199	1.5
238.08707	0.4
239.08176	0.5
239.11852	1.6
240.06592	0.3
247.08809	0.4
248.09618	0.4
249.06671	0.8
249.10255	1.3
250.07201	0.3
250.11102	0.4
251.08289	0.6
251.11867	2.2
252.08990	0.3
253.09833	0.9
255.11412	2.6
256.09692	1.2
263.08261	2.1
263.11880	0.5
264.08990	2.0
265.06146	0.5
265.09787	1.9
266.06888	0.5
267.11258	2.1
271.07254	0.8
272.09293	0.4
277.06461	0.4
277.09814	2.2
278.07104	0.3
278.10483	1.1
279.08109	0.4
279.11368	8.9
280.08789	0.5
280.11877	0.9
281.09335	4.8
281.12427	0.4
291.07773	0.4
292.08395	0.8
292.55017	0.3
293.09341	2.4
295.10928	0.8
299.10440	0.6
305.09293	2.1
306.10110	0.3
307.10858	34.7
308.11334	2.4
309.08917	0.6
309.12393	1.1
311.10767	0.6
311.14008	13.4
312.14426	0.8
313.12122	0.4
323.10352	1.3
324.10999	0.4
325.08618	0.3
325.11765	1.5
331.14804	0.3
337.11938	12.2
338.12204	1.0
339.13467	100.0
340.13797	7.7
355.12943	0.5
357.14539	4.4
359.13675	0.3
365.11386	1.0
367.12952	44.0
368.13321	3.9
371.16006	1.1
374.18900	0.3
375.13110	0.3
375.17383	0.3
397.14026	18.7
398.14493	1.4
399.15598	37.5
400.15967	3.3
401.15408	0.3
402.18341	1.9
403.16855	0.9
418.13724	0.5
419.16043	0.5
428.16086	0.7
435.15512	0.3
446.17163	3.6
447.16464	0.5
450.16724	0.4
460.18643	1.1
462.20276	1.1
463.19058	0.8
464.18579	0.4
472.15167	0.6
476.14603	0.3
478.15494	2.3
479.18250	1.5
488.18378	4.5
489.18387	0.5
490.16336	1.6
506.19354	16.2
507.18420	4.1
508.17593	0.6
510.18802	1.0
520.20959	2.0
521.20270	0.4
522.18774	1.4
532.09351	0.3
532.17175	4.5
533.17206	0.6
538.22089	1.3
550.18298	21.4
551.18610	2.5
564.19781	4.8
565.20050	0.7
582.20850	8.9
582.29993	0.5
583.20825	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	581.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66259	1.7
57.03452	4.8
59.01380	100.0
61.98818	10.9
69.56588	12.2
71.01382	46.7
72.99294	2.6
73.02955	10.8
78.95892	3.0
83.01390	7.1
85.02950	25.2
85.36483	2.0
89.02467	12.2
93.03431	2.7
94.05942	1.7
95.01380	4.4
99.00874	5.6
101.02451	21.7
108.02187	2.4
109.02946	6.3
113.02451	43.2
117.03432	4.4
119.03511	3.2
120.51717	2.1
122.06102	6.1
123.04499	5.9
125.02419	8.7
133.02962	3.6
135.04543	11.1
137.02415	3.9
143.03436	2.6
145.02982	10.0
149.99533	3.9
152.01089	2.2
153.01897	6.5
161.02499	11.9
161.04556	25.3
162.53206	2.0
167.03589	2.3
168.00674	6.4
179.03442	5.3
191.03459	2.2
263.90872	2.2
267.06570	2.3
281.06686	2.7
284.03036	2.7
297.18979	2.5
299.05508	3.8
315.19482	12.0
326.12585	3.5
333.20700	2.7
457.22250	2.7
459.23895	21.4
477.24741	8.4
495.25851	2.8
581.18384	11.5
582.20026	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	581.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56496	0.4
59.01385	1.1
63.96241	1.0
70.20322	1.9
71.01384	6.1
73.02947	1.4
78.98588	5.0
79.95739	8.7
80.96516	61.2
81.77906	0.4
81.81256	0.4
85.02953	2.1
87.00880	2.4
91.88261	0.4
94.98081	12.7
96.96006	0.8
97.02959	1.7
101.02407	2.3
106.98086	2.8
122.97594	2.7
125.02431	2.6
127.04006	1.1
134.97577	4.4
136.99136	1.4
148.99153	5.3
152.98627	5.0
158.45674	0.4
164.98630	9.0
197.91699	0.4
201.88963	0.5
206.99739	2.3
224.98570	1.0
225.00749	13.4
281.24847	1.6
299.04349	2.6
581.29974	100.0
582.30334	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	581.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
57.23651	1.4
59.01381	32.2
61.98819	7.5
65.99560	1.5
69.18403	1.5
69.61418	12.8
71.01389	12.6
72.99313	74.3
73.02927	5.6
75.00868	4.1
81.03445	2.5
83.01369	5.7
83.47768	1.8
85.02932	3.7
89.02432	7.0
93.03473	8.3
94.68884	1.5
95.01379	1.7
95.05018	4.7
101.02444	8.6
107.04971	2.5
108.02161	4.7
109.02936	12.5
109.06575	2.6
111.00818	2.3
113.02426	6.2
116.92819	5.5
119.03473	2.3
119.05006	2.9
121.02943	3.7
123.00887	3.0
123.04533	23.3
132.02185	3.3
133.02898	2.7
134.03714	6.6
135.02953	2.8
135.04526	50.7
135.08139	3.2
137.02475	14.4
138.03223	3.8
145.02956	1.9
147.04433	1.8
149.02379	6.8
150.03217	4.6
151.03970	3.1
151.81981	1.5
152.01135	5.7
153.01971	3.6
153.05588	3.5
159.08134	2.1
160.01639	5.7
161.02412	6.5
163.03972	5.8
164.04459	1.6
175.03989	10.9
176.04761	3.2
177.01941	17.0
177.09225	9.1
178.02742	14.3
179.02045	3.1
179.03503	45.5
191.07028	4.2
192.04274	10.8
193.05042	23.7
197.04546	96.5
198.04947	3.4
201.62843	2.1
203.07080	2.8
235.06044	6.2
239.09279	2.8
257.68207	1.7
264.37820	1.6
265.07095	3.1
295.08264	2.6
299.07724	4.3
304.49997	2.1
305.10306	1.8
341.10318	2.5
359.09814	52.9
371.11316	26.3
383.13214	2.0
386.09723	2.1
387.16599	10.6
401.12259	6.4
419.14230	4.8
477.23227	2.0
521.33228	7.5
563.17731	4.8
581.18634	100.0
582.18512	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	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
59.01382	3.0
61.98823	1.0
65.03933	0.6
68.99837	1.0
69.03433	0.8
69.39874	2.4
69.40299	2.3
71.01388	2.4
72.99313	2.4
73.02959	1.7
75.00867	1.6
81.03463	7.6
83.01377	4.9
83.05041	0.7
85.02954	1.5
93.03455	2.8
95.01382	2.8
95.05025	4.8
97.02945	4.7
98.20673	1.1
99.00904	0.8
99.04517	1.6
101.02391	0.8
107.01395	0.9
107.05041	1.7
108.02190	1.3
109.02955	4.2
109.06601	1.4
111.00897	1.2
111.04510	2.6
113.02470	1.6
117.03489	1.1
118.89343	0.5
119.05036	1.8
121.02967	3.6
121.06576	1.1
122.03728	1.4
123.00903	0.8
123.04517	10.7
123.05350	0.9
124.04798	0.6
125.02435	10.4
131.05031	2.0
134.03836	0.7
135.04526	5.1
137.02454	4.9
137.06071	2.8
138.03224	0.6
138.06442	0.6
138.11519	0.5
139.04004	4.3
145.02995	2.7
145.06625	0.7
147.04495	1.9
147.08124	1.3
147.09248	0.5
149.02475	1.3
149.06065	2.9
150.03166	0.9
151.04056	2.9
152.01067	0.7
153.01906	1.0
153.05582	1.0
153.55151	0.5
155.03468	0.6
156.05797	0.6
161.02505	1.2
163.04019	2.5
164.04733	1.8
165.01942	1.8
165.05585	4.2
166.02696	1.5
167.03487	21.3
171.08141	1.3
173.06070	10.9
175.03995	0.7
175.07700	0.8
175.42992	0.6
177.05493	0.8
178.02705	0.7
179.03494	5.2
180.04332	0.8
181.05031	1.8
183.08151	1.2
187.04004	1.1
189.05553	1.1
191.03601	1.3
193.05070	1.1
197.04529	7.0
205.01392	0.7
209.04527	23.0
210.04872	1.2
211.07588	0.6
213.09206	6.3
215.07082	1.0
219.02930	0.7
221.04425	0.6
223.06081	0.8
225.09210	1.3
227.10803	2.0
229.08705	3.3
231.10228	0.7
239.05475	8.8
240.05997	0.6
251.10713	0.8
253.08850	0.9
255.06696	1.1
255.10284	1.4
257.08200	8.5
267.10251	0.9
269.08130	3.4
269.11191	0.9
270.09091	0.8
271.09836	0.9
279.10141	0.6
281.08270	0.7
283.09726	2.5
297.11221	0.6
299.09250	18.8
300.09604	1.4
311.09286	9.5
312.09610	1.0
313.10739	0.7
325.10703	2.1
329.10245	6.3
330.10675	0.7
338.08054	0.9
339.08682	0.9
341.10269	100.0
342.10562	10.1
353.10278	4.1
355.12070	1.3
359.09854	2.1
368.08743	0.6
371.11322	72.3
372.11642	6.7
383.11322	4.4
401.12381	25.5
402.12723	2.3
407.11313	0.6
413.12329	1.5
422.37628	0.6
425.12354	1.1
431.13589	0.6
443.13492	9.1
444.13419	0.8
455.13553	0.8
461.14548	14.0
462.14929	1.4
473.14435	7.0
474.14743	1.1
491.15448	3.2
520.90704	0.5
521.32983	0.6
537.23596	0.7
563.17175	1.5
581.18628	11.6
582.18964	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	579.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99993	0.1
58.41263	0.1
59.01364	0.2
59.70149	0.1
59.88956	0.1
61.98831	100.0
62.98510	0.1
67.27509	0.1
69.39597	0.8
69.40005	0.2
78.95896	0.7
94.94911	0.1
122.30083	0.1
152.99644	0.3
153.44319	0.1
161.02426	0.2
172.54559	0.1
179.03520	0.1
224.06998	0.2
233.73904	0.1
277.21613	1.3
278.22238	0.3
279.22360	0.1
280.22797	0.1
365.27402	0.1
397.47995	0.1
431.21906	0.2
502.29199	1.1
504.30551	0.2
505.30792	0.3
561.28253	0.2
579.30670	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	581.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69781	0.7
55.06557	0.7
59.01373	3.5
60.96502	0.7
60.99309	21.2
61.51474	0.8
61.98829	2.9
64.11383	1.0
69.28738	6.4
69.29149	2.2
72.99298	1.6
80.77962	0.8
82.62051	0.8
88.98810	100.0
107.05056	0.9
109.02929	2.4
116.40287	0.7
123.04479	0.9
126.90502	1.1
133.02957	5.8
134.03717	1.7
135.04529	50.5
136.04845	1.6
145.02925	2.5
149.02423	3.4
150.03220	1.6
161.02451	26.1
161.23798	1.0
162.02823	1.4
179.03500	94.1
180.03831	2.8
266.05826	1.1
267.06619	18.5
268.07114	1.5
283.06039	2.0
295.07565	1.0
311.05630	23.2
312.05984	1.7
341.06622	8.4
413.67981	0.9
419.09763	3.4
491.09903	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	581.1823
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
61.98864	1.1
62.96393	1.3
63.88092	0.9
68.28589	0.9
70.09418	3.3
76.81409	0.9
78.95904	100.0
84.42713	0.9
96.96966	6.9
99.92583	12.4
100.93353	1.4
101.55791	0.9
115.92078	37.0
115.92892	2.1
116.24324	0.9
116.92089	2.6
116.92850	30.6
117.92854	1.6
150.98016	5.2
152.98357	1.3
152.99585	26.0
155.95226	1.2
163.89723	1.4
164.90509	2.0
168.48369	0.9
171.00647	13.2
172.95441	7.1
178.88452	9.8
179.89223	40.0
180.90019	29.1
181.90712	3.3
194.87914	3.1
196.89481	54.2
197.89606	2.1
205.90823	6.0
206.91518	3.9
208.89470	3.5
218.91470	1.1
219.92384	1.5
221.90239	3.9
234.91025	2.3
235.91809	9.5
236.92593	31.5
237.92955	1.9
252.89629	1.1
252.92166	3.8
253.21658	1.1
253.92917	1.2
270.93115	2.6
276.95773	2.3
278.93701	4.1
292.95102	3.4
309.95367	2.1
310.96213	8.8
405.07047	1.1
473.13998	6.7
490.14218	6.9
515.15070	1.4
533.15741	5.8
545.15918	6.5
563.17377	8.1
564.17578	1.9
581.18219	78.3
582.18433	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	579.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56756	1.9
50.61116	1.8
52.62559	1.6
54.73812	1.7
55.01863	1.7
57.03463	1.6
59.01382	100.0
60.01695	4.4
61.98832	21.5
66.90879	1.9
71.01389	19.2
72.99333	13.8
73.02946	7.8
75.00877	2.1
77.21790	1.8
80.66208	1.7
83.01358	3.8
85.02946	8.0
87.00878	5.0
88.98795	3.6
89.02440	7.2
93.03463	3.9
95.01418	2.4
96.95990	4.3
99.00889	3.0
99.92594	2.1
101.02453	12.8
106.06651	4.3
107.05006	2.2
108.02183	14.4
108.59134	2.1
109.02964	17.8
111.09566	1.7
113.02428	7.2
116.92892	12.0
117.03463	18.7
119.05016	13.6
121.02946	6.8
122.06080	2.0
123.04507	6.5
125.02423	3.3
126.90491	1.9
133.02959	19.5
134.03775	3.5
134.06111	10.7
135.04532	36.9
135.06392	3.2
136.04814	2.6
137.02414	4.5
139.04016	2.6
145.02953	49.9
147.04495	4.7
149.02473	9.4
150.03214	4.9
151.04019	2.8
152.01137	12.9
152.07158	3.3
153.01909	6.5
159.04558	4.2
160.03981	2.0
161.02448	52.0
161.04489	3.9
161.05930	2.7
162.02766	6.3
163.04036	16.4
164.04713	1.9
164.07155	3.8
165.07545	2.6
167.03404	5.0
179.03503	20.9
180.06743	2.4
181.05095	2.4
187.03964	2.7
188.07159	3.3
193.05173	2.7
197.04535	6.3
205.05078	2.3
242.08293	2.3
253.04982	2.7
254.10179	2.4
267.06750	3.3
269.04373	3.9
293.09387	3.3
295.10938	4.1
296.11209	5.6
307.10974	3.8
308.10992	3.0
309.04062	2.8
311.05557	7.1
313.23898	4.3
331.24838	9.4
345.10745	2.3
359.07764	3.7
369.15424	2.7
399.19754	3.7
443.17966	6.7
471.07059	4.1
475.28790	5.5
475.33603	3.7
487.17535	2.9
493.30017	6.5
502.19867	4.1
503.20227	28.6
504.14038	2.8
517.30255	2.7
519.20050	3.2
519.31409	2.2
535.21881	9.9
535.31042	59.5
536.23737	2.6
536.31628	7.2
544.35101	2.5
547.19171	27.4
548.19598	3.6
564.19775	8.8
579.22894	27.3
580.24170	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	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26966	0.5
59.01372	0.6
61.98833	0.6
62.66721	0.4
63.96226	1.0
64.71796	0.5
69.03469	0.4
70.19568	0.9
70.19979	1.7
71.01383	7.7
73.02942	1.4
78.98596	5.1
79.95734	10.1
80.96517	62.8
81.03462	0.9
85.02944	2.3
85.46001	0.4
87.00886	2.7
94.98089	14.4
95.01406	0.5
96.96030	1.0
97.02949	1.2
99.00896	0.5
99.83311	0.5
101.02451	2.1
106.98099	2.6
113.61597	0.5
119.89938	0.5
122.97568	2.8
125.02442	2.1
127.04018	1.3
134.97585	5.2
136.99144	1.2
148.99127	5.5
152.98633	4.1
161.02507	0.6
164.98636	11.1
206.99677	2.0
224.03194	0.5
225.00742	14.2
257.01514	0.5
276.07916	0.4
279.23199	2.6
299.04266	2.9
537.87067	0.7
579.28430	100.0
580.19525	0.6
580.28741	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	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37753	0.4
59.01368	1.1
61.98830	1.0
63.96223	1.0
69.03452	0.7
70.08662	2.3
71.01382	7.2
73.02953	1.6
78.98595	5.1
79.95734	10.6
80.96516	68.1
81.03449	0.8
83.01467	0.5
85.02952	2.6
87.00883	2.4
94.98087	14.9
96.96014	1.0
97.02939	1.6
98.19923	0.7
99.00889	0.7
101.02438	2.6
106.98067	3.0
107.95093	0.5
113.02428	0.5
122.97562	3.1
123.18844	0.5
125.02432	2.9
127.03999	0.5
134.97569	4.4
136.99117	1.6
146.97577	0.7
148.99133	6.1
152.98610	4.8
164.98630	11.7
206.99712	2.3
208.93503	0.5
225.00722	14.2
279.23297	2.4
299.04456	2.9
579.28418	100.0
580.28711	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	579.2083
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
52.98706	0.4
59.01381	2.9
69.36063	3.0
69.36478	1.1
71.01391	2.6
73.02918	0.6
81.03430	0.4
83.01414	0.6
85.02956	1.2
85.64533	0.4
89.02457	0.5
95.01360	0.8
101.02454	1.6
107.04980	0.6
108.02179	0.5
109.02952	1.7
113.02493	0.9
121.02903	0.7
123.00911	2.6
123.04521	0.7
125.02408	1.2
129.43622	0.5
135.04521	1.3
137.02449	9.8
139.03970	0.6
145.02998	0.6
149.02415	1.1
151.00369	17.1
151.03998	1.4
152.01073	1.5
152.04826	2.5
161.02386	0.5
163.03983	0.8
164.04721	0.6
166.02713	57.1
166.38783	0.5
167.03427	3.9
175.03983	1.1
177.01918	2.6
179.03453	0.5
181.05067	71.9
182.05429	2.6
184.03766	0.7
190.02756	0.6
190.06345	1.1
191.03468	0.8
192.04276	1.2
193.04948	1.2
205.05089	0.8
205.08727	0.6
207.06596	0.8
215.67180	0.4
219.06549	0.5
223.06178	0.7
223.08194	1.0
310.76431	0.5
329.10007	0.5
337.28491	0.5
359.11374	1.4
373.18741	3.1
387.10858	15.4
388.11313	1.5
402.13232	6.5
403.13516	1.1
417.15558	100.0
418.15912	8.9
438.04456	0.6
519.31384	1.0
531.90088	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	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03438	6.0
59.01379	27.1
61.98829	3.6
68.99812	1.4
69.38145	9.6
71.01385	23.8
71.05016	1.6
73.02954	6.4
73.47899	1.2
74.57938	1.3
75.00862	1.5
81.03461	2.0
83.01393	3.7
83.05048	6.0
85.02952	13.1
87.00881	8.6
89.02451	3.0
93.03469	2.3
95.82700	1.1
97.06584	3.6
99.00864	2.1
99.04521	3.8
101.02437	11.4
105.07098	1.6
107.05024	9.7
108.02181	10.1
109.02969	10.9
113.02459	9.6
113.58842	1.3
117.03385	1.1
119.05048	2.8
119.06067	1.1
120.05800	4.6
121.02956	4.9
122.03743	49.5
123.04532	54.8
124.04772	1.6
133.02908	1.2
135.04521	8.7
135.08160	2.2
137.02458	9.1
141.05573	2.4
143.03493	1.2
145.02922	3.7
146.07397	1.4
149.02434	2.7
150.03026	1.3
152.04759	1.4
157.31442	1.3
159.02991	2.4
161.02448	3.0
161.04549	13.6
161.09711	21.3
161.13364	12.0
163.04018	2.2
163.11287	6.1
165.05511	2.0
179.10788	5.5
187.11276	27.6
188.11633	1.5
189.09186	22.9
190.09488	1.9
203.10793	2.8
205.12337	15.6
207.10252	10.0
223.13347	2.1
231.10220	1.5
245.87329	1.3
249.11324	8.3
267.09036	2.8
267.12347	4.9
285.09717	3.8
329.08716	5.3
331.84229	1.4
514.96185	1.4
517.20856	1.6
519.31653	1.9
535.21820	45.1
536.22046	4.8
560.38464	1.3
561.19879	4.2
574.60797	1.5
577.69067	1.4
579.20813	100.0
579.30365	4.6
580.21155	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	579.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74402	0.5
55.01891	0.7
56.21878	0.5
57.03460	2.7
59.01382	23.7
61.98821	2.4
69.03471	0.5
71.01390	6.9
71.05017	0.6
71.62496	0.6
71.62912	0.7
72.99311	1.6
73.02948	4.9
79.05550	0.6
80.02679	0.6
80.05072	1.1
81.03436	0.7
81.39951	0.5
83.01384	6.3
83.05025	2.5
85.02957	2.9
87.00888	3.0
88.98228	0.5
89.02429	1.0
93.03442	0.8
95.01424	0.7
95.05051	0.6
97.06586	0.8
99.00868	1.1
99.04531	0.6
101.02454	5.4
106.06631	1.4
107.05034	3.5
108.02179	35.2
109.03019	2.5
109.06608	0.9
113.02478	3.1
117.03505	0.8
119.05029	1.5
120.05805	1.8
121.02970	0.5
121.06602	0.9
122.03769	4.2
123.04531	23.5
124.04809	0.6
125.06010	0.7
133.02937	1.2
133.06522	0.6
134.03792	0.7
134.06116	5.2
135.04495	4.9
135.06503	1.2
135.08197	0.5
137.02461	1.2
141.05562	0.6
143.03435	0.7
145.02940	2.5
146.06104	0.7
147.08203	1.0
149.06052	0.9
152.01158	63.4
153.01773	1.9
159.08171	0.9
161.02475	3.2
161.04572	2.3
161.05853	0.6
161.09711	6.8
161.13336	3.3
163.04015	0.6
163.11311	1.5
165.05463	0.7
167.03505	100.0
168.03813	3.0
175.03979	0.5
175.06117	0.6
179.03513	1.6
179.10692	0.5
180.06674	1.1
187.11292	9.3
188.07230	1.5
188.11700	0.8
189.07596	0.8
189.09203	8.1
203.10788	1.6
205.12332	5.4
207.10278	4.7
223.13377	5.0
225.10298	0.7
226.10759	0.8
227.11880	0.6
229.12291	0.9
231.10220	4.5
235.08559	0.7
247.13457	1.0
249.11346	5.6
252.09145	0.7
253.09615	1.2
254.10165	1.0
255.10274	0.9
267.12424	4.4
273.11374	1.8
279.07626	0.6
291.12430	2.1
293.09293	0.6
294.09677	1.1
295.10892	1.9
296.11215	2.3
307.10800	1.2
308.11276	2.4
309.13614	0.8
315.12393	0.9
329.08929	1.3
333.13455	2.5
351.14670	1.3
383.24884	0.6
402.16949	0.6
411.16595	10.8
412.17093	1.2
415.19095	0.6
443.17935	3.1
487.17111	1.5
502.20023	1.0
503.20099	10.5
506.18839	0.6
519.20227	0.6
519.28284	2.1
535.22095	5.3
537.29187	1.8
547.19257	12.0
548.19513	1.1
549.33051	0.8
578.34045	1.0
579.21112	14.9
579.32245	2.7
580.21381	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	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26245	0.6
57.03468	1.6
59.01377	13.6
61.98852	0.8
69.29227	4.8
69.64316	0.5
71.01383	5.3
72.67027	0.5
72.99316	0.8
73.02973	2.5
76.41470	0.5
81.03490	0.7
83.01392	4.2
83.05057	1.5
85.02968	2.5
87.00863	2.7
89.02476	0.7
93.03505	0.6
95.05022	1.3
96.35563	0.5
97.06612	1.1
98.20609	1.3
99.04527	1.3
101.02460	4.2
107.05037	3.4
108.02174	30.3
109.02979	1.1
109.06593	1.0
113.02473	2.4
117.03488	1.0
119.05025	0.9
120.05821	1.1
121.02969	1.1
121.06599	1.0
122.03752	5.1
123.04523	17.9
124.04826	0.8
133.02939	0.7
134.03769	0.9
135.04501	4.1
137.02455	1.5
145.01971	0.7
145.02946	3.7
147.08138	1.0
149.02454	0.7
149.06131	0.8
152.01149	60.8
153.01613	2.0
157.06648	0.7
159.08165	1.2
161.02454	1.7
161.04585	1.6
161.09718	6.3
161.13364	2.3
163.04071	0.9
163.11311	1.0
167.03488	100.0
168.03836	2.3
171.08211	0.6
177.09183	1.9
179.03520	0.9
185.09888	0.5
187.11259	7.7
189.09227	5.6
203.10771	1.1
205.12335	4.5
207.10228	3.2
215.53525	0.7
220.79137	0.6
223.13405	4.5
229.12396	0.6
231.10281	3.7
249.11261	5.2
250.11642	0.6
267.12500	3.8
273.11230	1.4
291.12299	1.8
315.12341	1.3
329.08624	2.0
330.08920	0.6
333.13290	1.8
351.14560	0.9
411.11493	1.1
411.16559	11.9
496.01974	0.5
535.21729	3.8
535.28864	0.8
547.18848	0.9
561.19238	0.8
579.20544	22.5
579.32080	1.4
580.20831	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	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97982	0.6
59.01384	10.8
59.20205	0.5
61.79298	0.4
61.98822	1.4
69.86723	2.6
71.01382	4.4
73.02949	2.8
83.01408	1.2
85.02978	1.1
89.02454	0.7
93.03472	0.9
101.02422	3.0
109.02938	0.7
113.02486	1.3
115.04001	1.4
116.16306	0.6
117.03468	27.3
118.03793	0.7
119.05029	34.0
119.37984	0.5
120.05345	0.6
120.61801	0.4
125.02505	0.7
133.02870	0.6
133.06555	0.6
134.06122	0.7
135.04517	1.5
143.05057	1.0
145.02953	100.0
146.03271	2.7
161.02412	2.7
161.06107	1.2
163.04007	34.9
164.04308	1.5
166.98790	0.5
167.10768	7.1
168.11111	0.5
177.05544	1.4
179.03470	1.0
185.11818	2.5
187.03987	2.7
205.05060	1.7
224.13245	0.6
242.08261	1.9
347.17020	0.8
349.41479	0.6
356.84113	0.5
371.16956	3.4
372.34525	0.5
389.18134	4.9
390.18387	0.5
472.15042	0.6
493.20679	1.7
503.20023	0.6
535.21838	27.6
536.22040	3.4
564.19940	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	579.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80135	1.1
59.01381	63.8
60.01709	5.0
61.98834	15.4
69.03461	1.3
71.01408	6.0
71.01703	1.2
71.63129	1.7
72.99323	6.2
73.02939	2.3
75.00858	1.4
77.08448	1.0
80.05060	4.8
83.01389	2.6
84.86828	1.0
85.02945	3.6
87.00872	1.3
88.98805	1.9
89.02434	2.7
93.03448	2.3
95.05026	1.9
96.96058	1.2
101.02448	4.3
104.05087	1.4
106.06610	7.9
107.05050	1.4
107.06982	2.1
108.02157	6.1
108.04554	3.7
109.02942	3.7
110.88837	1.0
111.08220	1.0
113.02454	3.9
116.92889	2.1
117.03442	4.9
119.05026	5.5
121.02953	1.3
122.06119	3.1
123.04517	14.2
132.02126	2.2
133.02019	2.2
133.02963	36.3
134.03741	2.6
134.06134	27.3
135.04539	29.8
135.06505	7.4
136.04916	1.3
136.07706	1.9
137.02437	2.7
145.02959	13.9
146.06111	2.4
148.07709	2.6
149.02428	1.5
152.01151	14.1
152.07153	3.5
159.04469	1.1
161.02449	100.0
162.02763	3.3
163.04005	4.2
167.03497	20.8
174.05620	3.0
175.04016	1.2
179.03500	13.5
180.06590	6.1
181.06969	2.7
186.05692	1.2
188.07179	12.5
189.07599	8.1
189.09158	2.0
194.08205	1.4
197.04585	6.3
211.08768	2.8
212.09082	1.7
223.13391	1.2
224.09435	2.4
225.10223	4.3
226.10815	2.1
227.11813	3.8
228.12239	2.7
236.09538	1.4
237.10161	2.4
238.07368	1.5
239.07726	1.8
249.10059	2.5
251.08153	2.6
252.09000	1.3
252.12282	2.7
253.09854	6.4
253.40448	1.2
254.10042	5.4
264.08942	2.2
265.09689	3.9
266.10126	2.7
267.06946	1.6
267.11292	3.3
268.11560	2.2
277.09781	4.1
278.10168	4.7
279.07706	2.2
279.11124	2.7
280.08258	2.0
280.11591	2.4
290.10376	1.2
292.08359	1.9
293.09174	5.1
294.09692	2.5
295.10852	16.6
296.11151	17.1
305.09351	1.4
306.09750	3.4
307.10858	10.6
308.11209	12.3
311.05527	2.7
333.02124	1.2
339.09631	1.6
359.07678	1.3
372.17044	1.4
381.08209	2.4
400.16425	3.9
401.16937	1.4
411.16739	1.5
415.18689	3.3
433.20825	6.5
441.16983	1.9
442.17645	4.2
443.18033	24.3
444.18433	1.2
455.31076	1.5
460.18741	3.5
461.18887	4.5
469.15894	1.3
475.20377	1.8
487.17343	6.7
492.21750	1.3
493.20773	1.8
502.19913	7.8
503.20193	84.3
504.20425	5.6
519.31989	2.5
535.21942	47.3
535.30365	6.1
536.22156	6.3
546.18591	4.2
547.19135	77.0
548.19409	7.3
579.22015	12.1
579.31256	5.8
580.22449	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	579.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60229	0.6
59.01381	9.0
61.98834	2.5
71.01381	5.4
71.63193	0.9
72.99292	1.1
73.02952	1.3
83.01397	1.0
83.05048	0.7
85.02954	2.2
87.00888	0.7
87.95041	0.5
88.98853	0.5
89.02436	2.4
91.22728	0.5
91.92300	0.5
93.03486	0.7
96.95978	0.9
97.02952	0.5
97.66846	0.5
99.00911	0.6
101.02433	2.3
108.02188	1.0
109.02950	1.6
113.02428	1.8
116.92876	1.1
117.03476	6.9
119.05026	54.0
120.05354	1.3
121.02948	0.9
122.03717	0.5
123.04469	0.9
124.01651	2.0
125.02433	1.8
133.02936	0.9
134.03751	7.3
135.04575	2.8
137.02417	1.3
139.04005	2.1
145.02956	22.5
146.03310	0.7
147.04596	0.7
149.02469	0.8
152.01173	0.8
153.01959	1.0
160.01666	0.9
161.02432	1.8
161.04565	0.7
163.04012	100.0
164.04358	3.1
175.04033	2.2
177.01976	0.7
178.02721	1.3
179.03477	1.8
193.05040	7.3
194.05519	0.7
197.04448	0.6
217.00218	0.5
231.10239	1.2
253.09355	0.7
255.06329	0.6
267.15970	1.0
275.07587	1.0
285.04037	0.7
293.08478	0.7
337.48657	0.7
439.12518	2.2
461.52710	0.5
519.30542	3.2
537.32825	0.6
561.23413	2.0
579.17163	8.7
579.24847	0.8
580.17267	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	579.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03877	0.5
59.01383	6.9
71.01384	4.3
73.02937	2.6
73.22523	0.5
79.01894	0.6
81.03457	1.0
83.01392	2.5
83.68683	0.5
85.02946	0.7
85.14413	0.5
86.00658	0.5
89.02454	1.6
89.38351	0.5
93.03464	1.7
95.01392	0.8
95.60525	0.5
97.02943	1.1
99.56602	0.5
101.02441	3.5
107.01389	3.4
107.05082	0.6
108.02184	0.7
109.02948	1.5
111.00922	0.6
111.04559	1.4
113.02441	1.8
119.05036	1.0
121.02946	1.4
123.00884	0.7
123.04480	1.7
125.02464	2.7
133.02992	0.5
135.04523	2.2
136.01698	1.2
137.02432	1.9
139.03995	2.3
145.02931	0.7
145.06598	1.1
147.04475	1.3
149.02422	2.0
150.03239	3.3
151.00362	0.7
151.04027	1.2
153.01897	0.7
155.01175	0.6
161.02457	1.0
162.03166	0.7
163.03993	1.5
164.04744	0.8
165.01912	1.8
165.05527	1.9
167.03514	3.7
171.04555	2.6
173.06017	0.9
175.02525	0.7
175.04007	1.1
177.01886	2.6
177.05371	0.6
178.02724	2.3
179.78986	0.5
183.08131	1.4
187.04050	0.7
189.01863	0.6
191.03467	1.9
193.01398	1.8
195.06544	0.8
197.04442	0.6
202.02750	0.5
205.01401	2.1
206.02248	1.0
207.02881	0.9
207.08134	0.7
210.59056	0.5
211.07585	1.5
219.02971	1.1
221.06357	0.6
225.09190	0.8
227.07147	1.1
233.04649	0.6
235.02580	2.4
239.07201	0.9
239.10724	0.6
241.08804	1.0
249.09222	1.6
251.06969	1.0
255.06497	0.9
265.03491	1.0
265.08740	0.9
267.06570	1.7
267.10068	0.7
269.08148	1.6
279.06406	1.0
281.08362	2.5
283.09595	1.1
285.04013	1.9
286.04523	0.5
293.07968	0.6
297.07687	5.6
298.07941	0.5
309.07632	4.7
311.09201	2.8
321.07639	1.2
323.09299	1.8
339.08719	39.7
339.12372	5.4
340.09021	3.6
351.08743	3.9
369.09784	23.1
370.10083	2.3
381.09775	1.8
399.10657	1.6
411.10675	0.9
459.12979	22.1
460.13388	1.5
489.14047	6.4
490.14050	0.7
519.15405	0.6
561.15948	1.9
579.17181	100.0
580.17548	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	578.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52743	0.4
53.32718	0.4
56.29329	0.4
59.01379	43.0
61.98852	1.1
66.80499	0.4
69.33550	2.7
69.33965	1.0
80.05060	6.1
80.05465	0.5
81.19657	0.4
83.01435	0.3
85.02976	0.8
89.02519	0.4
94.06663	0.6
101.02480	0.5
104.05045	2.7
106.06621	9.6
106.07282	0.6
108.04558	5.0
108.08231	1.5
113.02490	0.7
116.05103	0.6
118.06654	0.9
121.05395	1.2
122.06126	2.5
123.04529	1.1
128.88785	0.3
130.06621	2.2
132.04597	1.6
134.06122	43.2
135.04553	1.6
135.06503	1.2
136.07677	5.1
144.04538	0.5
145.02988	1.2
145.05312	0.7
146.06139	5.9
148.04079	2.1
148.07661	2.6
152.07178	6.2
158.06140	1.2
160.04030	3.0
160.07729	1.4
161.02438	1.9
161.04735	0.6
162.05646	1.3
166.08746	0.5
167.03508	0.6
173.04860	1.5
174.05612	4.7
180.06662	9.4
186.05563	2.6
188.07172	23.5
189.07541	0.9
190.05251	0.5
192.06709	0.4
194.08159	2.9
197.04649	0.5
197.10851	0.8
199.12405	0.5
200.07181	1.2
208.09840	0.6
209.07256	0.4
209.10973	0.4
210.08014	1.3
211.08749	4.3
214.05103	0.7
223.08772	2.5
223.12422	0.8
224.09512	2.1
225.06885	0.6
225.10318	7.4
226.11031	1.7
227.11873	8.4
228.12132	0.4
233.07239	0.7
234.07997	0.9
235.08662	2.2
236.05997	0.4
236.09502	0.9
237.10274	2.5
238.07397	2.5
238.11142	0.8
239.08173	0.6
239.11855	3.3
248.09576	0.9
249.06572	0.7
249.07950	0.4
249.10287	3.7
250.10886	0.6
251.08260	3.2
251.11865	4.0
252.09009	3.2
253.09805	12.6
253.13472	0.7
254.10292	1.0
261.10373	0.8
262.07800	0.8
262.14694	0.5
263.08228	2.1
263.11868	1.2
264.08990	2.7
265.09793	5.6
266.10510	1.3
267.11343	5.8
276.09149	0.4
277.09814	8.7
277.13000	0.6
278.07373	0.7
278.10532	1.8
279.07776	4.8
279.11429	5.3
280.08517	1.3
280.11688	0.9
287.13947	0.7
289.09839	0.8
290.07077	0.4
291.07852	2.1
291.10873	0.5
292.08618	4.2
293.09323	5.3
293.12881	1.0
294.10077	4.0
295.10864	37.2
296.11240	3.4
303.11450	0.7
305.09348	5.4
306.09961	2.5
307.10883	25.8
308.11130	2.2
311.06598	0.5
319.10928	0.6
321.09335	2.5
321.12500	2.5
323.10364	0.5
337.08188	0.5
337.12070	0.9
338.09177	0.7
339.09918	1.3
342.12448	0.9
346.19263	0.8
351.10074	0.7
355.13156	0.9
356.14026	0.9
357.14780	0.5
358.15631	0.7
365.11404	1.3
370.11798	0.7
370.19473	0.6
371.12338	0.5
372.17181	2.2
374.18665	1.8
383.12531	0.5
385.14304	1.1
386.14767	0.5
386.18985	0.5
396.17188	0.7
398.14920	1.3
398.19257	0.5
399.15817	1.3
400.16730	3.7
401.17029	0.6
414.18460	4.2
415.18454	0.5
418.17749	1.7
424.16705	1.1
426.14429	0.8
427.15353	1.2
432.19034	0.6
440.16083	1.6
442.17700	32.7
443.18109	3.2
444.15549	0.7
444.51007	0.4
458.17236	1.5
460.18884	5.8
461.19312	0.8
468.15701	1.7
474.20288	1.5
474.30612	1.4
478.20059	0.6
486.16699	8.0
487.17242	0.9
502.19839	100.0
503.20142	12.5
504.17773	0.9
505.18335	0.9
518.19257	1.7
528.17755	0.6
534.29480	0.4
535.21826	0.6
546.18793	91.5
547.19116	13.7
577.33014	0.7
578.21448	11.0
578.31433	0.7
579.21631	2.2
579.30426	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	578.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52743	0.4
53.32718	0.4
56.29329	0.4
59.01379	43.0
61.98852	1.1
66.80499	0.4
69.33550	2.7
69.33965	1.0
80.05060	6.1
80.05465	0.5
81.19657	0.4
83.01435	0.3
85.02976	0.8
89.02519	0.4
94.06663	0.6
101.02480	0.5
104.05045	2.7
106.06621	9.6
106.07282	0.6
108.04558	5.0
108.08231	1.5
113.02490	0.7
116.05103	0.6
118.06654	0.9
121.05395	1.2
122.06126	2.5
123.04529	1.1
128.88785	0.3
130.06621	2.2
132.04597	1.6
134.06122	43.2
135.04553	1.6
135.06503	1.2
136.07677	5.1
144.04538	0.5
145.02988	1.2
145.05312	0.7
146.06139	5.9
148.04079	2.1
148.07661	2.6
152.07178	6.2
158.06140	1.2
160.04030	3.0
160.07729	1.4
161.02438	1.9
161.04735	0.6
162.05646	1.3
166.08746	0.5
167.03508	0.6
173.04860	1.5
174.05612	4.7
180.06662	9.4
186.05563	2.6
188.07172	23.5
189.07541	0.9
190.05251	0.5
192.06709	0.4
194.08159	2.9
197.04649	0.5
197.10851	0.8
199.12405	0.5
200.07181	1.2
208.09840	0.6
209.07256	0.4
209.10973	0.4
210.08014	1.3
211.08749	4.3
214.05103	0.7
223.08772	2.5
223.12422	0.8
224.09512	2.1
225.06885	0.6
225.10318	7.4
226.11031	1.7
227.11873	8.4
228.12132	0.4
233.07239	0.7
234.07997	0.9
235.08662	2.2
236.05997	0.4
236.09502	0.9
237.10274	2.5
238.07397	2.5
238.11142	0.8
239.08173	0.6
239.11855	3.3
248.09576	0.9
249.06572	0.7
249.07950	0.4
249.10287	3.7
250.10886	0.6
251.08260	3.2
251.11865	4.0
252.09009	3.2
253.09805	12.6
253.13472	0.7
254.10292	1.0
261.10373	0.8
262.07800	0.8
262.14694	0.5
263.08228	2.1
263.11868	1.2
264.08990	2.7
265.09793	5.6
266.10510	1.3
267.11343	5.8
276.09149	0.4
277.09814	8.7
277.13000	0.6
278.07373	0.7
278.10532	1.8
279.07776	4.8
279.11429	5.3
280.08517	1.3
280.11688	0.9
287.13947	0.7
289.09839	0.8
290.07077	0.4
291.07852	2.1
291.10873	0.5
292.08618	4.2
293.09323	5.3
293.12881	1.0
294.10077	4.0
295.10864	37.2
296.11240	3.4
303.11450	0.7
305.09348	5.4
306.09961	2.5
307.10883	25.8
308.11130	2.2
311.06598	0.5
319.10928	0.6
321.09335	2.5
321.12500	2.5
323.10364	0.5
337.08188	0.5
337.12070	0.9
338.09177	0.7
339.09918	1.3
342.12448	0.9
346.19263	0.8
351.10074	0.7
355.13156	0.9
356.14026	0.9
357.14780	0.5
358.15631	0.7
365.11404	1.3
370.11798	0.7
370.19473	0.6
371.12338	0.5
372.17181	2.2
374.18665	1.8
383.12531	0.5
385.14304	1.1
386.14767	0.5
386.18985	0.5
396.17188	0.7
398.14920	1.3
398.19257	0.5
399.15817	1.3
400.16730	3.7
401.17029	0.6
414.18460	4.2
415.18454	0.5
418.17749	1.7
424.16705	1.1
426.14429	0.8
427.15353	1.2
432.19034	0.6
440.16083	1.6
442.17700	32.7
443.18109	3.2
444.15549	0.7
444.51007	0.4
458.17236	1.5
460.18884	5.8
461.19312	0.8
468.15701	1.7
474.20288	1.5
474.30612	1.4
478.20059	0.6
486.16699	8.0
487.17242	0.9
502.19839	100.0
503.20142	12.5
504.17773	0.9
505.18335	0.9
518.19257	1.7
528.17755	0.6
534.29480	0.4
535.21826	0.6
546.18793	91.5
547.19116	13.7
577.33014	0.7
578.21448	11.0
578.31433	0.7
579.21631	2.2
579.30426	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	578.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	64.2
60.01713	0.5
60.84404	0.1
61.98837	0.3
66.03498	0.1
68.99825	0.3
69.59415	0.4
69.59818	0.3
71.01418	0.1
80.05057	9.2
81.05376	0.2
92.05064	0.5
94.06622	1.2
99.00882	0.2
101.02477	0.1
103.04285	0.2
104.05061	3.7
105.01893	0.1
106.02986	0.2
106.06625	15.7
107.03777	0.4
107.06976	0.5
108.04556	8.0
108.08189	1.9
109.04901	0.2
116.05032	0.8
117.03471	0.5
118.03020	0.2
118.06647	1.4
119.05056	0.2
120.04542	0.4
120.08237	0.5
121.05323	1.3
122.06121	4.4
130.06621	3.6
131.03773	0.5
131.06931	0.1
132.04552	2.0
132.08185	0.7
134.06119	62.0
135.04491	0.2
135.06453	2.1
135.07391	0.2
136.07677	7.3
137.08012	0.3
142.06580	0.2
144.04520	0.7
145.02991	1.5
145.05316	1.2
146.02464	0.1
146.06120	7.3
147.03258	0.9
147.06567	0.2
148.04048	3.6
148.07677	4.8
149.07919	0.1
150.05602	0.3
152.07167	8.9
153.04289	0.3
153.07553	0.1
156.04532	0.2
156.08206	0.3
158.02492	0.3
158.06102	2.1
159.03217	0.3
159.06816	0.2
160.04045	5.0
160.07675	2.2
161.02417	0.5
161.04747	0.4
162.05605	2.4
162.09283	0.1
162.65805	0.1
163.03975	0.3
166.08728	0.3
170.06094	0.5
172.04106	0.3
172.07677	0.4
173.04825	2.2
173.07132	0.2
174.05592	6.4
175.06157	0.4
176.03429	0.2
176.07158	0.9
178.05176	0.2
179.03465	0.1
180.06662	13.7
181.07072	0.4
182.08427	0.4
183.09291	0.3
184.03932	0.2
184.07642	0.2
185.04628	0.1
186.05597	3.6
186.09184	0.2
187.06355	0.5
188.07164	37.1
189.07484	1.7
190.05151	0.7
190.08733	0.2
192.06726	0.3
194.08217	4.0
194.09912	0.2
195.09259	0.6
196.06331	0.6
196.10002	0.2
197.07175	0.6
197.10843	1.3
198.05716	0.1
198.09343	0.1
199.08881	0.2
199.12334	0.8
200.07219	1.5
201.07512	0.1
202.05066	0.4
204.06844	0.2
205.07570	0.2
206.08351	0.2
207.09288	0.4
208.09834	0.9
209.07256	0.6
209.10828	1.0
210.07910	2.2
211.08760	5.6
211.12369	0.4
212.07254	0.2
212.09241	0.5
213.10268	0.4
214.05075	0.9
215.08316	0.1
216.06657	0.3
219.09241	0.4
220.09924	0.4
221.07159	0.4
221.10765	0.8
222.07805	0.3
222.09587	0.2
223.08774	3.1
223.12305	1.4
224.07265	0.1
224.09479	2.8
225.06674	0.6
225.10315	10.9
225.13971	0.3
226.07578	0.2
226.11026	3.0
227.11882	10.9
228.12129	0.6
233.07217	0.7
233.10783	0.5
234.07898	1.2
235.08704	2.6
235.12305	0.7
236.05875	0.3
236.09502	1.6
237.06746	0.6
237.10326	3.8
238.07407	3.8
238.10925	1.1
239.08281	1.1
239.11865	4.5
240.12392	0.3
241.09731	0.3
243.11313	0.2
245.13023	0.2
246.08064	0.3
247.08786	0.9
248.09563	1.6
249.06583	0.6
249.10315	5.0
249.13972	0.2
250.07324	0.9
250.10979	0.7
251.08246	5.3
251.11877	6.1
252.08971	4.0
252.12241	0.3
253.09807	15.0
253.13379	1.6
254.10310	1.1
255.07727	0.2
255.11281	0.3
260.09372	0.2
261.06693	0.3
261.10245	1.0
262.07419	1.4
262.10989	0.2
263.08243	3.2
263.11841	1.6
264.05609	0.2
264.08997	3.8
264.11914	0.1
265.06342	0.6
265.09787	7.6
265.13086	0.2
266.08057	0.3
266.10556	2.1
267.07956	0.5
267.11353	7.8
268.09125	0.1
268.11844	0.5
269.09280	0.3
274.10922	0.2
275.08270	0.4
275.11783	0.3
276.09000	0.7
276.11960	0.2
277.06488	0.5
277.09802	12.3
277.13193	0.5
278.06943	1.0
278.10434	2.9
279.07727	7.1
279.11346	7.7
280.08395	1.9
280.11911	1.2
281.09244	0.4
283.10944	0.2
285.12262	0.1
287.13953	1.0
289.09796	1.3
290.06918	0.5
290.10464	0.5
291.07742	2.6
291.11340	0.5
292.08530	4.6
292.11700	0.2
293.09360	8.3
293.12857	1.7
294.10062	5.3
294.13324	0.2
295.10849	45.0
296.11197	4.0
299.10489	0.2
300.11050	0.1
303.11337	0.4
304.08643	0.2
305.09323	6.2
306.10016	3.4
307.10858	34.6
308.11209	2.9
309.08966	0.1
309.12427	0.4
310.09787	0.2
311.06552	0.6
311.10474	0.4
312.11145	0.2
314.12973	0.4
316.14487	0.3
319.10815	0.7
320.07968	0.3
320.11429	0.2
321.08749	3.1
321.12430	3.1
322.09189	0.3
322.12811	0.3
322.75195	0.1
323.10300	0.5
324.07474	0.2
324.11060	0.1
326.12738	0.2
327.13803	0.2
328.10809	0.4
328.14569	0.4
329.11545	0.2
329.15390	0.1
330.16083	0.5
333.08771	0.5
337.08374	0.2
337.11969	0.9
338.08966	0.6
338.12582	0.2
339.09854	1.6
339.13708	0.2
340.10568	0.6
340.14218	0.2
341.11575	0.3
342.12448	1.1
342.16016	0.2
343.13184	0.4
344.13870	0.5
344.17596	0.5
346.15494	0.2
346.19183	1.0
347.10315	0.5
351.09845	1.1
352.10657	0.1
353.11478	0.3
354.16168	0.2
355.13113	1.0
356.10214	0.2
356.14008	1.2
357.10684	0.2
357.14822	0.7
358.11652	0.2
358.15494	1.3
358.19406	0.2
359.16174	0.1
364.14175	0.1
365.11456	2.1
366.12228	0.3
367.13004	0.2
368.13647	0.2
368.17950	0.2
369.10794	0.1
370.11508	0.8
370.15115	0.5
370.19357	0.3
371.12396	0.5
371.16473	0.4
372.13330	0.3
372.17233	2.6
373.17874	0.5
374.18683	2.3
375.19037	0.4
380.13855	0.3
381.14612	0.3
382.11856	0.2
383.12576	0.3
384.13336	0.9
385.14236	1.2
386.14572	1.1
386.19220	1.0
390.18414	0.3
396.12988	0.1
396.17566	0.8
397.14194	0.3
398.14487	1.6
398.18912	0.8
399.15433	0.9
400.11484	0.2
400.16641	4.1
401.17084	0.6
408.13498	0.3
409.14209	0.4
411.12180	0.2
412.12714	0.4
412.16959	0.4
413.17490	0.3
414.18347	4.2
415.18884	0.6
416.16043	0.4
418.17752	1.8
419.18073	0.2
424.16602	1.0
426.14560	0.8
427.15298	1.2
428.15790	0.2
430.17819	0.2
432.19171	0.4
434.20844	0.2
440.16269	1.5
441.16650	0.2
442.17691	39.1
443.18008	4.7
444.15604	0.4
445.16367	0.4
458.16888	1.4
459.17651	0.1
460.18753	7.5
461.18906	0.8
468.15515	1.7
469.15955	0.2
471.14450	0.3
474.20404	1.6
475.20734	0.2
476.18381	0.1
478.19928	0.8
484.18475	0.3
486.16656	9.9
487.17188	1.2
500.18143	0.3
502.19797	100.0
503.20129	13.1
503.28250	0.2
504.17633	1.0
505.18536	1.2
506.19278	0.2
518.19238	2.1
519.19385	0.4
528.17926	1.1
535.21472	0.2
536.20532	0.2
546.18756	90.1
547.19116	12.7
560.20575	0.2
578.21399	10.1
579.21643	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	577.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
58.48736	0.7
59.01381	46.4
67.98020	0.8
71.01386	5.4
72.99319	1.3
73.02960	1.3
75.00882	1.6
85.02938	4.7
88.98869	0.6
89.02452	1.7
93.03467	0.8
93.10323	0.6
95.01434	0.8
96.96049	0.9
98.19817	1.2
99.00909	1.9
101.02476	1.9
106.04258	0.9
110.03779	2.1
111.04524	0.8
113.02433	3.6
116.92906	0.9
117.03481	1.8
119.05024	1.2
123.04518	15.4
123.05344	1.2
126.90516	6.1
133.02975	0.8
134.03755	3.6
135.04520	6.1
136.04834	0.8
137.02527	1.8
145.02922	4.3
160.01677	3.6
161.02455	2.3
163.04074	2.5
175.03987	3.5
178.02744	2.1
179.03548	2.0
193.05078	7.5
197.04558	1.1
201.11351	5.2
227.03633	1.2
235.06235	0.9
250.92288	1.3
267.07300	1.4
327.21872	1.1
379.26392	1.3
393.24652	0.9
405.26401	4.0
415.28497	8.0
416.28854	0.8
431.28027	5.3
443.27234	4.1
445.29547	36.2
446.29861	3.8
455.31668	1.6
459.27530	10.4
460.28159	1.3
477.28549	14.0
478.29037	2.0
487.30649	9.0
488.31229	1.1
489.28802	1.7
499.30692	9.0
500.31543	1.4
505.31641	4.5
517.31696	57.9
518.32086	7.2
535.33636	1.1
576.98712	3.2
577.34241	100.0
578.34467	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	577.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04167	0.8
59.01386	10.5
61.98824	1.4
71.01386	2.3
89.02426	1.5
93.33771	0.9
98.19759	2.0
101.02421	2.2
108.85429	0.9
113.70127	0.9
161.02402	2.5
208.03746	1.2
235.08073	1.0
247.31921	0.8
253.09280	12.2
281.24863	100.0
282.25192	6.1
525.53430	1.0
539.27289	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	578.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.2
60.01705	0.3
61.98830	0.4
69.61649	0.9
69.62077	0.8
80.05059	6.0
92.05069	0.3
92.24961	0.2
94.06624	0.6
98.20538	0.6
99.00894	0.3
104.05068	2.1
106.02910	0.2
106.05901	0.5
106.06627	10.3
107.03720	0.4
107.06985	0.3
108.04565	5.1
108.08169	1.3
115.32576	0.2
116.05083	0.4
118.06622	0.9
119.05065	0.6
120.08210	0.3
121.05354	0.9
122.06116	3.0
130.06630	2.2
131.03770	0.4
132.04559	1.3
132.08237	0.4
134.06120	40.1
135.04520	0.4
135.06427	1.5
136.07672	5.1
138.10176	0.3
142.06676	0.3
144.04510	0.4
145.05344	0.8
146.06128	4.4
147.03297	0.4
148.04051	2.2
148.07680	2.8
152.07169	6.9
156.08167	0.3
158.02460	0.3
158.06119	1.2
159.03238	0.3
160.04033	3.3
160.07681	1.7
161.02467	0.6
162.05591	1.5
163.03973	0.4
170.06126	0.5
172.04102	0.3
173.04811	1.5
174.05609	4.1
176.07161	0.4
179.03575	0.2
180.06662	8.8
186.05623	2.6
188.07173	23.6
189.07458	0.8
190.05109	0.7
192.06721	0.3
194.08232	1.9
195.09169	0.3
196.06384	0.2
196.10033	0.2
197.10854	0.7
199.08702	0.4
199.12407	0.5
200.03575	0.3
200.07227	0.9
202.05132	0.4
207.09235	0.3
208.10001	0.7
209.07306	0.4
209.10876	0.4
210.07993	0.9
211.08737	4.3
212.09164	0.4
214.05110	0.5
216.06679	0.3
218.08221	0.2
219.09314	0.3
221.07190	0.5
221.10828	0.4
222.09505	0.4
223.08734	2.3
223.12437	1.0
224.09436	1.9
225.10323	7.8
225.75154	0.2
226.11006	2.1
227.11894	7.7
228.12288	0.3
233.07245	0.6
233.10802	0.4
234.08049	0.6
235.06490	0.3
235.08786	2.2
235.12357	0.3
236.09430	0.8
237.06689	0.6
237.10333	2.9
238.07445	3.0
238.09740	0.2
238.11038	0.7
239.08220	0.7
239.11894	3.3
247.08771	0.5
248.09534	1.3
249.06686	0.5
249.10283	3.1
250.07434	0.8
250.10847	0.7
251.08267	3.5
251.11894	3.8
252.08986	3.1
252.11845	0.4
253.09804	11.6
253.13403	1.1
254.10284	0.9
261.10306	0.6
262.07318	1.2
263.08304	1.5
263.11862	0.9
264.09006	3.0
264.11981	0.5
265.06641	0.4
265.09790	5.2
266.10522	1.7
267.08295	0.5
267.11356	4.8
275.11923	0.3
276.08896	0.4
277.06580	0.6
277.09796	10.0
277.12912	0.4
278.06903	0.8
278.10468	1.8
279.07776	5.1
279.11395	5.7
280.08429	1.2
280.11890	0.8
281.09314	0.3
283.10974	0.2
287.14066	0.8
289.09851	0.9
290.07196	0.4
291.07788	1.6
291.10956	0.3
291.70694	0.2
292.08493	3.5
292.11795	0.4
293.09357	6.2
293.12927	1.2
294.10080	4.0
294.13184	0.5
295.10858	36.5
296.11276	3.4
303.11307	0.4
305.09314	5.2
306.10019	2.6
307.10883	25.7
308.11240	2.2
311.06689	0.3
319.10739	0.3
320.08002	0.3
321.08783	2.7
321.12454	2.8
323.10324	0.4
328.11124	0.3
328.14581	0.4
330.16116	0.5
333.08765	0.5
337.08401	0.3
337.11960	0.9
338.09140	0.6
338.16440	0.3
339.09842	1.0
340.10635	0.3
340.14606	0.3
342.12601	0.7
344.17599	0.6
346.19376	0.6
347.10385	0.5
351.09747	0.7
354.16422	0.3
355.13098	0.7
356.14029	0.9
357.14761	0.7
358.15445	0.8
365.11481	1.6
367.13043	0.3
370.11832	0.7
370.15686	0.4
370.19534	0.4
371.12299	0.3
371.16595	0.4
372.13281	0.4
372.17285	2.0
374.18610	2.2
380.14026	0.5
384.13416	0.9
385.14285	1.0
386.14841	0.7
386.18915	0.7
390.18265	0.3
396.17279	0.6
398.14868	0.9
398.18964	1.1
399.15958	1.0
400.16669	3.4
401.17392	0.3
408.13943	0.2
409.14459	0.5
414.18423	4.1
415.18497	0.4
418.17676	1.7
419.18463	0.3
424.16574	1.0
426.14551	1.1
427.15158	1.2
432.19354	0.4
440.16193	1.4
442.17709	33.4
443.18112	4.3
444.15491	0.6
445.76758	0.2
458.17145	1.2
460.18750	5.6
460.24722	0.4
461.19540	0.6
468.15598	1.2
474.20468	1.6
475.20959	0.3
478.19830	0.7
486.16714	8.7
487.16898	1.0
502.19833	100.0
503.20157	12.6
504.17688	0.7
505.18646	0.9
518.19214	2.2
528.17999	0.8
546.18787	95.5
547.19104	12.2
578.21387	12.4
578.30743	0.4
579.21667	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	577.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01720	1.2
61.98840	4.4
65.67575	0.7
69.08804	0.9
69.53896	0.8
69.54266	5.9
71.01382	5.2
72.99306	2.2
73.02951	4.6
78.29871	0.7
80.05074	1.7
82.91557	0.7
83.01392	1.0
85.02961	2.3
89.02478	2.1
90.18748	0.7
93.03526	0.9
95.07891	0.7
96.96020	1.0
98.20707	0.9
101.02454	4.9
106.06661	2.0
106.13619	0.9
109.02917	0.9
113.02476	2.5
117.03474	3.1
119.05013	2.1
121.02958	5.6
133.02962	1.7
134.03833	0.9
134.06125	7.0
135.04544	4.1
136.07770	0.8
137.02466	1.2
143.08704	0.8
145.02950	10.1
145.03970	1.2
146.06096	0.9
149.04794	0.7
152.07141	1.1
161.02458	4.4
161.04565	1.2
163.04034	2.6
165.05573	4.0
166.97346	0.7
174.05626	0.9
179.03535	2.1
180.06657	1.5
188.07205	3.8
189.67378	0.7
200.66266	0.7
225.10254	1.1
251.11725	0.8
253.09882	2.4
265.10040	1.3
277.10007	1.7
279.11246	1.0
293.09387	1.3
295.10861	7.1
307.07895	0.9
307.10764	4.0
311.05637	1.5
340.09509	6.8
355.11780	10.9
356.11899	0.9
357.22095	1.1
371.27502	1.5
373.25299	0.9
403.26501	1.1
413.09314	1.1
414.18304	0.8
437.30740	6.2
439.28680	1.4
442.17593	6.9
443.31943	1.1
451.29312	0.9
453.30121	10.4
454.30283	1.3
455.31857	5.9
469.29211	4.6
473.33081	3.7
486.16971	1.4
487.30823	1.7
491.28860	1.8
499.30798	1.2
502.19873	18.6
513.29181	0.8
515.29047	1.7
517.31665	23.7
518.32489	3.4
533.29633	29.2
534.29962	3.5
542.23285	0.9
546.18713	18.1
577.25867	2.9
577.33160	3.5
578.21704	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	577.3384
Annotation	Gagunin G
Peak:m/z	Relative Intensity
52.81880	0.6
57.03438	0.8
59.01381	47.9
60.01722	0.7
61.10723	0.6
61.98816	1.6
69.52869	4.5
69.53284	0.9
71.01363	3.3
73.02942	1.9
75.00863	0.7
83.01385	0.6
83.66096	0.6
85.02985	0.8
89.02438	0.9
93.03446	0.7
94.26274	0.6
96.95992	0.7
98.20622	1.1
101.02433	1.2
109.56036	0.7
110.03746	1.8
113.02431	1.4
117.03444	0.7
119.05020	1.2
123.04531	15.9
124.04797	0.8
126.90505	2.3
133.03024	0.9
135.04517	3.4
137.02399	0.9
145.02962	0.8
161.02437	3.3
163.04002	1.8
175.04057	1.1
177.01808	0.9
179.03510	1.4
221.92329	0.7
243.46725	0.6
257.41083	0.6
353.24924	1.0
359.07953	0.9
375.26727	0.9
381.00082	0.8
389.24390	0.7
405.26572	4.9
413.26984	2.3
415.28525	5.3
416.28735	0.9
421.26880	0.9
423.29114	1.4
425.26883	0.8
431.27979	3.6
433.29022	1.0
443.27280	3.8
445.29562	35.0
446.30072	4.4
455.31741	3.0
459.27512	11.5
460.27988	1.1
469.29294	1.0
477.28561	10.0
478.28546	0.9
487.30624	7.9
488.30997	0.9
489.28604	1.4
499.30594	10.3
500.30960	1.4
505.31793	4.4
517.31696	68.1
518.32208	9.3
535.32587	1.3
570.30078	0.7
577.33875	100.0
578.34015	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	577.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27391	0.7
59.01381	100.0
60.01716	0.9
61.98821	1.9
71.01408	1.6
71.63051	0.9
73.02947	1.5
87.00879	0.9
106.06661	1.2
115.49036	0.9
133.02986	0.8
134.06152	6.1
135.04524	2.6
137.42596	0.9
145.02956	2.5
161.02449	2.5
180.06599	1.1
185.35794	0.8
188.07178	2.3
222.87546	0.8
227.11864	1.0
251.08241	1.3
263.08215	1.0
265.09784	1.2
270.25677	0.8
277.09848	1.1
278.06870	1.1
279.11505	0.9
293.09338	3.0
295.10727	4.2
307.10925	2.4
324.56921	0.9
337.08261	1.0
341.23276	1.2
347.45465	0.9
377.24435	0.8
387.27100	1.0
389.24814	1.8
391.26639	1.3
401.24496	1.2
403.26364	1.1
405.27957	7.7
406.28235	1.1
407.25772	6.3
414.18137	1.2
417.28067	2.5
419.25928	3.6
421.27301	2.2
425.30585	1.5
435.28818	1.7
437.30652	14.9
438.30887	2.5
439.28384	4.8
440.28702	1.1
440.86746	0.9
441.16656	1.5
442.17480	4.4
443.31577	1.8
451.28711	1.8
453.30103	12.5
454.30533	1.9
455.31583	7.8
456.31976	0.9
469.29553	15.0
470.29889	1.3
473.32870	6.4
474.33051	1.0
481.29318	1.2
485.28876	1.5
486.16495	1.7
487.30673	16.7
488.30948	2.8
501.19107	2.3
502.19717	11.0
517.31689	49.7
518.32294	7.8
533.29236	2.3
545.18146	2.3
546.18750	11.5
577.21570	2.4
577.33398	1.6
578.21545	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	577.3381
Annotation	Gagunin L
Peak:m/z	Relative Intensity
53.90937	0.6
57.03436	1.1
59.01382	34.9
61.98826	1.5
64.62117	0.7
69.39773	0.8
69.40178	5.5
71.01389	2.8
72.99325	1.0
73.02941	1.2
75.00912	0.8
85.02970	1.3
89.02419	0.9
90.74376	0.6
95.01406	0.7
98.20683	1.2
110.03753	2.1
113.02470	1.3
119.05051	0.7
123.04528	8.5
125.56886	0.7
132.56099	0.7
135.04549	1.1
145.02893	1.3
161.02452	1.9
163.04065	0.8
179.05574	0.7
201.11295	2.2
218.91835	0.7
327.21729	1.0
405.26559	2.5
415.28674	4.4
425.26715	0.9
431.27884	3.1
435.29294	0.9
437.30783	3.3
443.27203	1.3
443.32336	1.6
445.29550	23.3
446.29968	2.3
455.31677	6.3
457.29416	0.7
459.27448	7.7
460.28082	0.9
477.28604	7.3
478.29169	1.0
487.30814	5.8
489.28232	1.6
499.23373	0.9
499.30725	17.1
500.30933	2.3
505.31717	2.3
517.31677	100.0
518.32031	13.5
533.29218	0.8
577.34174	65.7
578.34448	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	577.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98808	2.4
69.42249	2.0
69.42648	5.9
71.01391	2.3
72.99306	1.4
73.02924	1.8
76.01670	1.0
80.73795	0.9
81.90250	0.7
83.04950	0.8
86.73796	0.8
87.00872	1.0
102.94865	0.9
106.06641	1.9
117.03427	0.8
119.05064	1.1
124.67984	0.8
133.02954	1.9
134.06116	10.4
135.04536	3.0
136.07669	1.4
142.23550	0.9
145.02962	3.2
152.07109	1.0
161.02431	3.7
163.03992	1.8
175.96835	0.9
180.06612	1.8
188.07155	4.8
211.08870	1.1
224.09514	1.1
225.10368	2.0
237.10304	1.6
239.11993	1.1
249.10289	0.8
250.07480	1.2
251.11925	1.4
253.09773	2.5
265.09799	1.7
277.09723	2.1
278.06628	1.0
279.07596	2.4
292.08640	1.4
293.09256	3.5
293.12665	1.2
294.10022	1.0
295.10867	6.5
305.09259	1.5
307.10977	5.1
333.22330	0.9
337.08255	1.7
351.09372	1.1
372.16907	1.0
379.27353	0.9
389.24756	1.9
401.24875	1.6
403.26443	1.2
405.28107	6.9
406.28372	1.2
407.25647	4.2
417.27890	2.2
419.25894	3.5
421.27347	1.3
435.28854	1.1
437.30634	13.9
438.30893	1.9
439.28464	5.0
440.28778	1.4
441.16812	1.4
442.17810	7.9
443.31592	1.7
451.28525	1.3
453.30246	12.3
454.29868	1.3
455.31601	6.9
456.31583	1.6
469.29633	13.8
470.29633	1.7
473.32553	5.1
485.28888	1.6
486.16635	2.5
487.30716	15.0
488.30872	1.8
501.18896	1.8
502.19806	17.2
517.31714	48.5
518.31708	5.3
533.29663	1.5
545.17712	3.8
546.18799	18.6
546.27002	1.1
577.21606	3.7
577.32635	1.5
578.21484	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	577.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70675	1.2
59.01382	100.0
60.01714	1.2
61.98832	8.6
71.01381	11.2
71.63055	1.6
72.99316	2.9
73.02949	6.9
75.00874	1.1
83.01385	2.8
85.02966	3.1
87.00861	2.0
89.02460	3.4
93.03438	1.4
99.00865	1.1
101.02428	5.6
106.06617	2.2
109.02987	2.4
113.02454	4.5
117.03465	5.8
119.03481	1.3
119.05037	4.6
121.02947	3.6
121.06529	1.1
125.02509	1.6
130.88715	1.2
133.02985	2.5
134.06126	8.5
135.04506	6.3
145.02957	14.9
161.02463	7.9
161.04576	1.5
163.04024	4.8
164.07150	1.4
165.05557	12.2
179.03526	4.5
186.21237	1.2
188.07115	4.9
209.11754	1.5
224.09480	1.2
225.10439	1.2
253.09816	3.2
277.09833	2.1
294.10068	1.7
295.10825	5.4
307.10947	6.7
311.05536	2.0
340.09576	2.5
353.12521	1.4
355.11746	6.5
410.12778	1.3
430.70010	1.4
437.30536	6.8
439.28317	2.1
442.17792	5.2
453.30243	7.7
455.31638	2.8
460.18417	1.5
469.29578	3.7
473.32803	3.1
486.16504	1.2
487.30582	1.4
491.28482	2.3
502.19879	22.7
515.28162	1.6
517.31647	20.7
518.32318	2.8
533.29651	41.5
534.29810	3.9
545.17926	1.8
546.18762	22.1
577.22437	8.3
577.32922	3.3
578.21381	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	577.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36710	0.6
57.03448	1.4
59.01380	42.3
59.14803	0.8
59.26227	0.7
61.98824	1.0
68.89014	0.7
69.03457	1.0
71.01370	2.8
72.99335	0.8
73.02934	1.7
92.29838	0.7
95.05016	0.8
98.19829	1.7
101.02404	1.5
106.04250	0.7
110.03724	2.0
112.78458	0.7
113.02460	1.7
118.23572	0.7
119.05036	2.1
120.05276	1.0
123.04519	15.4
134.06123	0.8
134.71150	0.7
135.04529	1.1
143.48161	0.8
145.02946	2.2
161.02466	0.9
229.88448	1.0
279.65305	0.9
371.26181	0.8
405.26138	3.4
415.28461	6.4
416.28595	0.7
431.28119	3.8
443.27072	3.6
445.29578	35.1
446.29947	4.9
455.31546	2.2
459.27554	13.2
460.28061	1.6
477.28500	12.1
478.28589	1.1
487.30606	8.4
499.30630	9.2
505.31708	3.4
517.31665	51.3
518.32208	8.1
533.29419	3.3
535.32751	1.7
545.17456	1.8
546.18927	1.0
577.33813	100.0
578.34161	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	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.4
58.00594	0.8
59.01381	100.0
69.03456	1.8
71.01382	40.8
72.99316	2.6
73.02949	57.4
75.00882	1.7
83.01382	17.0
85.02949	6.6
86.00097	1.1
87.00891	3.2
89.02450	9.3
95.01394	1.8
97.02969	1.0
98.62686	0.7
101.02444	49.7
108.02197	2.9
109.02970	3.1
110.08016	0.8
111.00884	0.7
113.02454	20.9
115.09545	0.7
119.03489	4.8
123.00860	0.9
123.04542	1.9
125.02486	2.0
131.03502	4.6
134.69983	0.7
135.04514	2.0
135.40804	0.7
136.01669	18.2
137.02509	1.2
143.03523	4.7
145.02957	1.8
146.03781	1.1
149.04555	6.1
149.05765	0.8
151.04008	22.0
152.01215	1.1
155.03549	1.8
159.04521	3.9
160.05307	6.8
161.02502	1.6
161.04564	12.1
161.05853	1.1
163.04034	1.5
165.01979	0.9
166.02692	0.9
171.04465	1.0
174.03233	1.3
175.04030	2.2
175.07675	2.9
179.03627	0.9
179.05704	0.8
181.05159	2.8
186.03278	0.9
187.03946	4.6
188.04758	8.9
189.05724	1.4
193.05127	1.3
193.06602	1.0
201.05641	0.7
203.03505	1.0
203.05518	1.2
203.07216	5.9
204.04274	0.9
205.06673	1.1
209.06149	1.9
219.04674	0.8
219.06717	2.3
220.05490	0.8
221.06200	3.5
223.07681	1.3
233.06044	1.0
235.07773	1.0
237.05603	12.6
238.06125	1.0
249.05551	9.5
250.06288	6.3
251.07182	2.1
252.07849	5.5
261.05692	3.0
262.06375	1.4
263.07248	1.4
264.07892	15.0
264.10513	0.8
265.05142	15.1
265.08743	4.1
266.05740	2.4
267.06696	1.0
276.08044	2.1
277.05127	3.5
279.06561	5.6
280.07404	20.2
281.07922	4.0
282.08771	1.2
291.06778	0.9
292.07547	3.1
293.08182	1.0
294.05997	0.7
294.08951	3.8
295.06458	2.0
295.09741	32.1
296.10373	3.3
306.08954	1.1
307.06265	2.1
307.09894	4.3
309.07928	1.7
309.11313	1.5
310.08533	3.6
322.08609	1.6
325.10797	11.5
326.11224	1.0
337.11029	3.1
343.12024	1.2
355.11853	67.3
356.12134	5.8
373.12891	3.5
517.17242	1.9
577.18976	1.5
577.27002	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01383	1.5
61.98831	18.1
63.96244	1.8
64.97031	0.7
68.55523	0.5
69.03461	0.5
70.32500	1.0
70.32848	1.9
71.01385	11.4
73.02953	2.6
78.98594	7.8
79.95261	0.8
79.95736	14.2
80.96517	92.8
81.03461	1.3
81.96432	0.5
85.02958	4.3
86.21310	0.6
87.00880	3.4
94.98086	20.6
96.95993	1.6
97.02950	2.5
98.19962	0.6
99.00885	1.0
101.02465	3.3
106.98098	4.7
122.97578	4.4
125.02451	4.3
127.03980	1.3
134.97589	6.8
136.99147	2.1
148.99144	7.9
152.98660	7.6
164.98613	17.3
168.09235	0.5
206.99706	2.6
224.98624	1.0
225.00761	16.0
226.01112	0.7
245.14955	0.6
245.17758	0.6
249.27531	0.6
256.44275	0.6
277.21725	2.6
299.04434	3.9
577.26849	100.0
578.27246	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	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.7
69.53601	2.6
71.01371	2.2
73.02930	1.1
78.95898	1.2
85.02947	0.7
86.23001	0.3
89.02455	2.0
91.96755	0.3
98.19862	0.6
101.02449	2.6
113.02444	1.6
119.03478	0.5
150.45224	0.3
161.02496	0.5
161.04572	1.2
235.08354	1.6
244.59438	0.3
253.09290	11.6
263.82983	0.3
279.23285	100.0
280.23651	8.6
329.82355	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	575.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91629	1.5
59.01381	100.0
71.65993	2.3
81.79801	1.3
113.11556	1.4
135.04492	1.7
161.02452	3.3
199.83473	1.4
204.29607	1.4
291.79614	1.6
515.33679	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.01389	2.2
78.98605	1.9
79.95728	3.2
80.96519	22.1
85.02940	1.0
87.00851	0.7
87.12448	0.4
94.98094	5.4
98.20679	1.3
101.02432	1.0
106.98109	0.7
122.97591	1.2
125.02430	0.7
134.97588	2.3
136.99170	1.0
148.99146	1.8
152.98668	2.0
164.98587	3.6
206.99550	1.0
225.00732	4.2
229.90407	0.6
277.21841	1.5
278.22205	0.5
279.22275	0.6
299.04514	1.2
310.19751	0.5
394.92621	0.5
449.25366	0.7
577.26868	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60645	0.3
61.98833	100.0
70.40973	0.8
78.98645	0.3
80.96505	1.7
94.66786	0.3
94.98109	0.4
136.40471	0.3
145.61453	0.3
165.42314	0.3
165.70885	0.3
175.63402	0.3
224.00024	0.3
225.00974	0.4
248.10651	0.3
291.00598	0.3
432.96481	0.3
577.26837	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	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12444	0.4
55.78671	0.4
59.01379	26.1
69.32622	1.1
69.33041	2.4
71.01379	0.4
78.95903	26.2
79.78160	0.5
81.53596	0.4
83.05030	0.4
85.98003	0.4
122.98527	0.7
136.90283	0.4
150.74338	0.5
152.99580	3.6
168.04315	4.9
200.01474	0.4
224.06926	11.2
242.07961	3.0
259.15918	0.5
277.21716	100.0
278.22052	6.6
377.65375	0.4
403.62735	0.4
429.26450	0.4
502.29416	74.2
503.29718	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	575.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24527	1.2
59.01382	100.0
60.99306	1.4
61.98827	5.1
71.01382	3.5
71.65691	1.2
72.99314	3.4
73.02957	3.1
78.95910	10.9
83.01443	1.3
85.02957	3.3
88.98777	2.3
95.26929	1.3
96.96980	1.5
101.02450	1.9
102.80508	1.3
108.15565	1.3
109.02986	2.1
111.04456	1.4
113.02480	2.5
116.92886	1.4
117.03437	1.5
119.05074	1.4
121.02966	1.8
126.90495	1.7
133.02972	4.3
135.04503	6.3
137.02400	1.7
143.08696	1.3
145.02953	3.4
147.04510	1.9
149.02405	1.5
152.99620	12.2
161.02417	7.6
162.02867	1.6
171.10307	3.6
179.03535	4.4
193.89110	1.5
294.90967	1.6
309.24487	1.7
327.25479	3.8
370.66031	1.3
389.28665	2.6
391.26563	4.1
397.25211	3.3
399.27518	1.7
401.24707	4.0
413.25021	2.4
415.26428	4.0
417.28015	14.0
418.28183	1.7
419.25961	19.3
420.26004	2.4
421.27588	1.8
423.28970	1.3
431.25897	2.8
433.27451	5.7
435.29080	16.7
436.29486	2.1
437.26804	2.1
451.28531	28.6
452.28790	3.6
453.30240	6.6
467.28088	10.9
471.31076	5.5
485.28973	5.0
515.30096	63.8
516.30487	8.6
533.33246	2.6
575.34296	14.8
576.29309	7.4
598.07068	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	575.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46646	0.4
57.03462	1.5
59.01379	96.8
60.01718	1.0
60.99318	0.7
61.98821	0.7
67.57249	0.5
69.03458	2.0
69.32124	2.4
69.32554	2.2
71.01368	3.0
71.05039	0.6
72.99309	1.0
73.02952	2.4
75.00880	1.1
79.91370	0.4
83.01406	1.2
85.02966	0.9
85.26643	0.5
87.00877	1.0
89.02448	1.0
95.05029	0.6
96.93793	0.4
97.02955	0.5
101.02454	1.0
112.86304	0.4
113.02486	0.7
118.96800	0.5
119.05024	25.5
119.08652	1.2
120.05363	0.8
121.37645	0.5
135.04510	2.1
135.08221	0.6
145.02971	2.1
147.08162	0.6
149.17184	0.6
161.02437	1.9
161.09724	1.1
163.04010	22.7
164.04431	0.6
169.10199	1.1
171.11763	1.3
179.03474	0.6
181.10255	1.7
183.11713	0.8
187.11293	2.0
189.09161	0.6
195.11891	0.6
203.10684	0.7
205.12297	0.7
209.22330	0.6
221.13309	1.4
223.13445	0.6
242.85522	0.5
249.11250	0.7
253.15971	0.9
291.12561	0.7
305.22556	0.7
327.21735	0.9
333.13406	0.6
339.21002	0.7
351.21158	1.3
353.22723	2.0
355.20596	1.0
359.00677	0.5
359.23758	0.9
369.22018	1.1
369.25873	6.1
371.23999	2.9
375.26990	1.1
383.23947	3.9
384.24451	0.8
385.21249	0.6
385.25577	1.1
387.22937	0.6
387.26996	6.6
389.24765	2.8
393.28125	1.5
401.24826	5.5
402.25278	0.8
403.21930	0.8
403.26447	2.2
405.27954	9.8
406.28503	0.9
407.25916	1.0
411.16650	1.9
411.29169	1.3
415.23318	0.7
419.25867	8.7
420.26169	1.1
421.27628	0.8
423.28998	10.5
424.29361	1.1
431.25644	0.6
437.26901	6.2
438.27533	0.7
443.28357	0.7
449.26944	5.6
450.27594	0.8
453.30380	3.1
454.30814	0.7
455.28217	1.1
463.24536	0.7
467.27991	22.5
468.28107	2.9
471.31207	4.0
472.31219	0.8
481.26074	0.8
485.29056	20.1
486.29373	2.0
503.33487	2.5
509.29288	1.2
515.29706	3.7
517.35071	1.0
525.28613	1.5
527.30078	1.1
531.28198	2.2
545.34991	0.6
575.32214	100.0
576.22534	0.9
576.32526	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	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27634	1.8
57.03452	2.4
59.01383	100.0
59.78917	1.8
61.98816	3.9
69.03459	2.1
69.85303	5.3
69.85714	6.0
71.01377	17.6
73.02946	11.9
78.81620	1.9
83.01395	3.9
85.02953	9.7
87.00881	2.6
87.04502	5.7
89.02445	6.4
97.02928	2.1
97.06604	3.7
98.06804	1.9
99.00856	2.1
101.02448	14.0
109.02982	2.4
113.02444	6.4
117.03448	7.9
119.05024	48.2
133.02933	3.0
135.04543	3.6
141.16943	2.3
145.02948	29.2
145.09924	2.3
146.03299	2.7
161.02412	6.5
161.04620	3.8
163.02719	2.5
163.04021	40.7
167.14351	2.5
171.10254	8.1
179.03407	2.6
189.09229	2.9
192.97838	2.2
197.04608	2.1
205.12300	2.2
209.11668	2.3
211.13376	11.8
229.14470	7.6
278.86154	2.1
291.19696	5.5
309.20676	6.9
327.21780	79.4
328.22015	7.1
351.21616	2.7
353.22662	2.2
369.26074	3.7
405.27780	2.4
411.16507	5.0
419.37738	2.3
423.29266	3.9
429.17725	10.9
437.27322	3.1
453.58920	2.4
467.27936	9.8
471.25760	6.6
485.28946	6.7
489.26886	7.3
515.28815	2.6
529.85498	2.7
531.28082	86.4
532.28540	9.6
533.34070	3.4
575.22302	6.6
575.32031	46.6
576.23315	2.4
576.32373	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03444	2.8
59.01382	100.0
61.98811	1.3
64.18950	0.9
66.77042	0.9
71.01380	15.3
71.05030	1.0
71.45143	1.7
73.01043	1.0
73.02948	8.9
83.01377	2.6
84.55550	0.9
85.02966	6.7
87.00874	3.7
87.04514	3.5
89.02441	3.7
97.02977	1.0
99.00906	1.5
101.02438	11.4
113.02499	4.7
114.96577	0.9
117.03442	1.4
119.03529	1.8
119.04230	1.1
119.05036	18.7
123.04446	1.5
132.61946	0.9
133.02942	1.1
135.04526	2.7
145.03004	5.0
148.22043	0.9
153.05586	1.4
159.02946	1.7
159.06644	1.7
161.02437	2.8
161.04544	2.1
163.04008	13.4
179.03476	1.0
204.34016	1.0
283.71713	0.9
300.80414	1.0
325.08542	0.9
329.23032	2.1
429.24741	3.4
471.25940	2.2
489.27054	4.4
513.27197	5.7
531.28119	94.9
532.28430	11.9
575.21552	2.5
575.31500	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	575.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01381	30.6
61.98834	2.7
71.01386	7.5
71.05020	1.7
72.99307	1.2
73.02942	5.4
83.01389	4.3
83.05022	0.9
85.02927	2.0
87.00879	2.1
89.02428	2.2
93.03474	1.8
95.01415	1.1
99.00858	0.9
101.02441	6.2
104.52705	0.7
107.05036	1.8
113.02465	2.5
116.92870	3.1
117.03461	2.3
119.05025	100.0
120.05349	2.7
123.04559	0.9
123.08228	0.8
133.02963	1.9
135.04526	6.5
143.04999	1.3
145.02965	8.8
153.05510	1.0
153.30972	0.7
161.02423	4.5
161.04602	1.2
161.06049	0.9
161.09750	3.6
161.13329	1.5
163.04008	68.8
163.11285	1.2
164.04376	2.1
179.03465	1.6
179.05692	0.8
187.04034	1.0
187.11279	5.5
189.09198	4.2
205.05058	0.9
205.12321	2.3
207.10176	1.6
223.13414	2.6
231.10210	1.6
249.11320	2.9
265.07080	1.2
267.12280	1.5
273.11209	1.1
291.12399	0.8
309.20764	0.9
325.09329	1.9
327.21756	1.3
333.13449	1.1
351.14038	0.9
368.16028	0.8
399.25406	2.2
411.16599	6.0
412.16724	0.8
471.31436	5.1
489.27100	0.9
515.20966	0.8
515.30200	3.2
531.20905	1.2
531.28235	19.3
532.28363	2.7
575.21405	17.2
575.30853	5.4
576.21704	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	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89275	1.1
52.11288	1.3
59.01384	12.9
60.99312	12.8
61.98814	1.4
66.52130	1.2
71.01382	1.2
71.62669	1.2
71.63062	1.3
74.99097	14.4
76.52548	1.3
79.93019	1.4
85.32439	1.2
87.00896	2.9
88.00416	12.4
88.04025	1.9
88.98807	58.0
89.02448	100.0
90.02773	1.6
99.48818	1.4
121.72578	1.2
126.05775	1.2
133.02931	2.0
135.04547	1.7
148.90974	2.2
161.02457	2.8
241.32753	1.5
324.97839	1.9
349.04611	1.3
434.39853	1.4
437.30640	1.5
455.31616	22.7
456.31894	2.0
575.30194	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	575.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.8
59.01383	8.8
66.62990	0.4
69.67279	2.8
71.01398	1.5
73.02941	1.2
83.01364	2.2
83.05032	0.7
85.02942	0.5
87.00884	1.5
91.05538	0.5
93.03464	0.7
97.06588	1.0
101.02448	1.4
103.25283	0.4
104.76050	0.4
106.50516	0.6
107.05045	2.1
111.04579	0.6
116.63815	0.5
118.70997	0.4
119.05029	100.0
120.05328	3.7
123.04522	0.8
129.32036	0.4
133.94258	0.4
135.04565	1.3
152.04735	0.5
157.06664	0.5
161.09753	3.6
161.13350	1.5
163.04018	69.5
163.11313	1.2
164.04410	2.8
174.33879	0.5
179.10866	0.5
187.11313	5.9
189.09233	3.9
192.05209	0.4
203.10812	1.1
205.12305	2.9
206.12521	0.4
207.10248	1.2
223.13428	2.4
229.12312	0.6
231.10320	2.0
249.11385	4.2
267.12418	1.6
273.11545	0.5
291.12357	1.2
309.13058	0.7
325.09280	2.5
327.21817	1.1
333.13562	1.3
373.36087	0.5
411.16605	9.2
412.17111	0.9
429.53342	0.5
435.20428	0.5
443.28351	1.2
515.30280	1.9
575.21393	25.7
575.32025	4.3
576.21747	3.6
576.31726	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	573.3067
Annotation	(+)-Ganoderic acid K
Peak:m/z	Relative Intensity
58.87900	0.3
58.94049	0.3
59.01383	22.6
60.99302	0.9
62.28978	0.3
63.12835	0.3
69.39802	0.9
69.40228	1.6
71.05074	0.3
73.02933	0.9
75.00871	3.3
82.89000	0.3
127.56838	0.3
133.02933	0.5
145.80994	0.3
161.02396	1.5
282.65778	0.3
283.31366	0.3
359.23846	0.6
371.27734	0.7
375.26892	0.8
377.24518	0.6
387.27124	0.5
389.28601	1.0
393.27966	2.1
403.26343	0.7
411.28720	0.4
423.28961	0.4
433.27426	1.0
437.26910	0.6
450.27567	0.5
451.28482	5.2
452.28894	0.8
469.29578	2.7
470.29590	0.5
483.27725	0.5
495.27719	1.7
513.28717	2.6
531.29559	0.7
555.29657	1.1
573.30658	100.0
574.31018	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	574.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66554	0.3
59.01374	12.5
60.01717	0.9
60.07920	0.3
61.98829	100.0
64.30652	0.3
66.69552	0.3
70.03883	1.4
71.01384	1.0
72.79725	0.3
72.99319	0.4
85.02975	0.4
87.65365	0.3
89.02456	0.3
101.02457	0.7
119.90731	0.3
129.15077	0.3
133.02942	0.6
135.04561	0.8
145.02992	0.6
161.02481	0.9
179.03583	0.3
237.92867	0.3
317.66525	0.3
415.27155	0.3
440.27606	0.3
514.32532	1.4
574.31848	2.2
575.34705	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	575.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.6
62.94564	2.0
70.21510	2.3
71.01404	4.6
71.68007	1.9
72.99305	3.8
75.00876	25.0
85.06607	3.1
87.00857	2.9
89.02457	6.2
90.53126	2.2
101.02423	3.1
106.33879	2.3
117.01931	3.8
119.05025	31.4
131.07152	9.6
134.38188	2.0
135.02998	100.0
163.04013	84.5
164.04355	2.8
229.74135	2.4
233.19022	2.5
281.06635	16.4
293.12430	31.1
461.19003	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	575.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54434	0.4
57.03448	1.0
59.01379	8.4
61.98835	0.7
71.01386	2.0
73.02947	2.0
79.05573	0.4
83.01354	2.3
83.05018	0.7
85.02937	0.5
87.00877	1.2
88.98846	0.5
89.02448	0.5
101.02436	1.7
107.05032	1.9
113.02410	0.9
117.03439	0.7
119.05022	100.0
120.05285	3.5
123.04530	0.6
133.02959	1.7
135.04501	2.3
145.02948	1.4
157.06641	0.4
161.02432	3.8
161.09698	3.7
161.13290	0.9
163.04001	67.5
163.11302	0.6
164.04323	3.1
170.18675	0.4
179.03462	0.5
184.97476	0.4
185.65379	0.4
187.11272	4.8
189.07730	0.6
189.09183	3.2
203.10666	0.8
205.04811	0.5
205.12367	2.5
207.10225	1.0
223.13362	2.0
231.10277	1.2
249.11249	2.9
267.12387	2.2
291.12262	1.4
315.12424	0.7
325.09262	2.1
333.13342	1.0
351.14606	0.7
353.74985	0.5
411.16559	6.2
412.17264	0.6
515.31879	1.1
531.28357	2.8
575.21259	24.8
575.31464	1.0
576.21582	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	573.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23100	6.1
50.34807	6.5
55.15481	5.9
59.01379	100.0
61.98837	11.2
71.01387	16.5
71.21413	14.0
73.02919	8.3
89.02431	10.0
96.96008	24.9
99.92572	13.5
101.02441	10.7
113.02446	9.3
115.92059	19.5
116.92862	55.6
119.05066	12.5
121.75790	6.5
137.72411	7.0
145.02931	22.0
155.75441	6.4
162.74881	6.4
163.04007	14.0
179.05591	9.4
181.55429	6.0
195.10217	10.5
239.09235	42.9
529.15417	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	573.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40016	2.0
59.01382	100.0
61.98832	5.5
66.54138	1.9
71.01383	29.5
72.99313	3.5
73.02953	24.7
81.03432	2.4
83.01374	8.3
85.02966	6.6
89.02436	7.7
93.03482	2.6
96.95999	6.2
98.19836	4.7
99.00877	4.7
99.04535	2.2
101.02450	20.2
113.02448	9.1
116.92879	3.4
119.04995	2.9
133.05298	2.3
135.04517	10.4
143.03442	3.7
145.03006	3.4
148.05301	2.4
149.02379	2.3
149.04512	2.1
161.02448	9.4
161.04547	3.7
163.04068	2.0
179.03499	4.1
221.15439	6.1
289.18207	2.0
290.14139	2.1
307.19061	6.3
310.10965	2.7
435.01437	2.0
454.05801	2.3
511.25079	6.1
529.26526	92.1
530.26849	11.7
573.27838	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	572.3206
Annotation	Canescensterone
Peak:m/z	Relative Intensity
59.01379	0.6
61.98833	100.0
71.13184	0.5
71.62912	0.7
71.63292	0.6
78.95914	1.9
80.81343	0.5
96.96021	6.7
277.21750	0.9
473.29022	0.6
487.34335	11.9
487.41321	0.8
488.34616	1.6
572.32037	70.4
573.32489	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	572.3202
Annotation	Canescensterone
Peak:m/z	Relative Intensity
50.11106	0.3
59.01379	1.0
61.98832	100.0
70.64616	0.6
70.64935	0.7
93.03057	0.3
99.46239	0.4
125.09691	2.7
159.10295	0.8
161.02475	0.9
162.25592	0.3
173.30804	0.4
174.03900	0.3
187.09738	1.1
339.74826	0.3
354.40460	0.4
403.23291	0.5
469.33246	2.5
487.34372	4.5
488.34372	0.5
572.32019	65.5
573.32355	10.9
573.40936	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	573.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10771	1.1
59.01381	8.7
71.01394	1.4
89.02438	2.5
90.12748	1.2
101.02436	2.3
113.02449	3.2
117.03473	29.5
118.03793	1.3
119.05030	39.6
120.05363	2.6
145.02954	100.0
146.03244	3.3
147.81706	1.1
148.72110	1.2
163.04015	69.8
164.04333	2.1
323.09790	2.1
487.14569	13.8
488.14590	1.5
529.15570	27.7
530.15717	2.6
544.09229	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	573.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59782	4.6
59.01382	67.5
62.27111	4.4
69.56384	14.1
69.56810	23.3
71.01399	7.0
72.44454	5.2
73.58350	5.1
89.02406	5.7
96.95988	7.1
113.02463	4.3
117.03479	21.5
119.05031	52.8
119.18982	4.8
135.10278	4.4
145.02950	100.0
147.03142	5.7
149.04591	5.4
158.41858	4.5
163.04016	83.5
211.68129	4.4
245.38695	4.9
298.55505	5.7
344.96814	4.9
357.49890	5.4
487.14719	14.1
513.26935	5.5
529.15540	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	573.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01013	0.2
59.01381	23.9
60.99306	1.0
61.98854	0.3
69.03445	0.4
69.71041	0.2
70.73904	0.2
71.01398	0.5
71.05024	0.5
71.62793	0.2
72.99314	0.5
73.02955	1.1
75.00875	3.5
83.05029	0.3
84.24532	0.2
85.02948	0.3
95.05025	0.3
99.92597	0.2
105.03455	0.4
109.02983	0.3
109.06640	0.3
115.03960	0.2
116.92877	0.7
117.03438	0.2
121.02982	0.2
123.16763	0.2
126.90504	0.3
128.54832	0.2
131.05064	0.2
132.02176	1.2
133.02960	17.6
134.03809	1.0
135.04524	6.7
135.70016	0.2
136.04875	0.2
137.02502	0.3
145.02902	0.2
148.05310	5.4
153.48813	0.2
159.04497	0.5
161.02443	45.7
162.02831	1.7
163.04036	0.2
163.07645	1.8
172.10391	0.2
175.11263	0.2
178.02670	0.2
179.03493	4.1
180.03886	0.3
314.08920	0.2
319.85797	0.2
353.23099	0.3
355.24203	0.4
359.23840	0.7
365.08783	2.4
365.24689	0.2
371.27408	0.8
373.25278	0.5
375.26889	0.5
377.24829	0.7
387.27441	0.3
389.28885	1.2
393.27805	2.1
403.26306	0.7
407.29742	0.2
421.27457	0.7
424.61441	0.2
433.27451	0.8
437.26910	0.8
451.28485	5.3
452.28897	0.3
469.29654	2.1
483.27460	0.6
487.16180	1.0
495.27383	2.4
497.29660	0.4
513.28632	2.1
525.28894	0.3
529.17163	18.3
530.17572	2.3
531.29327	0.5
555.29376	1.5
573.30652	100.0
574.31018	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	571.289
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.26547	0.7
61.98824	1.4
71.48128	1.8
78.95904	63.5
80.14609	0.7
93.71626	0.8
96.96963	12.6
98.23715	0.8
105.54555	0.8
116.99339	0.8
133.04007	0.8
143.37442	0.8
152.99586	55.4
161.02420	0.8
223.00122	1.9
240.98683	1.4
241.01169	29.4
242.01357	1.1
242.89142	0.9
255.23289	65.4
256.23605	4.6
283.50220	0.9
315.04858	7.8
391.22534	4.9
449.82114	0.9
571.28845	100.0
571.93927	0.9
572.29181	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	571.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	40.4
61.98831	100.0
80.10918	3.5
99.00942	3.3
116.92847	3.7
133.02922	3.8
135.04475	5.7
161.02449	6.5
164.81068	3.7
238.40906	3.2
326.47873	3.1
487.34302	12.9
488.34964	4.8
489.35178	19.4
527.33746	59.7
528.34430	8.4
571.35071	13.3
572.32092	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16795	0.4
51.39612	0.5
58.00585	0.5
59.01378	1.2
61.98831	100.0
75.66157	0.5
79.95781	0.6
83.05678	0.5
97.89719	0.5
98.19836	1.1
113.00121	0.6
115.91943	0.5
126.72942	0.6
151.36990	0.5
423.32574	1.3
437.30615	0.6
441.33734	0.8
467.31400	0.7
469.33209	2.1
487.34268	5.1
488.34555	0.6
572.32037	73.6
573.32336	8.7
590.20740	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	571.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98830	18.3
71.65991	0.6
75.42051	0.6
75.76276	0.7
78.95903	2.4
99.92584	12.0
100.92720	0.8
100.93381	2.8
111.32214	0.7
115.92078	100.0
116.92087	4.0
116.92878	5.3
132.92320	1.4
152.99588	1.3
209.11572	0.7
315.41180	0.7
471.34848	5.9
473.35284	1.1
502.00217	0.8
535.12543	1.1
567.23468	0.8
571.27319	61.2
572.27905	14.1
585.25073	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	571.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65770	0.6
56.61634	0.8
59.01374	0.7
61.98833	14.1
69.34933	6.2
78.95905	2.4
79.62001	0.6
80.91696	0.7
98.20647	1.5
99.92585	13.9
100.92714	0.7
100.93349	3.5
115.92076	100.0
116.92084	3.8
116.92861	6.6
132.92371	1.5
149.40895	0.7
152.99622	1.1
190.12352	0.6
471.34714	4.0
473.35522	1.2
571.27319	67.9
572.27911	13.5
585.25488	5.0
586.25830	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	571.2731
Annotation	Artoindonesianin U
Peak:m/z	Relative Intensity
54.82094	0.4
57.48412	0.4
61.98833	5.1
70.13575	1.4
78.95886	0.9
83.07130	0.4
98.87800	0.4
99.92584	10.9
100.93372	4.1
115.92080	100.0
116.92089	4.3
116.92870	4.6
132.92349	1.3
151.61234	0.4
152.99527	0.5
153.05501	0.4
185.98216	0.5
229.98909	0.4
230.38454	0.4
241.01375	0.4
427.26788	0.4
443.15173	0.6
471.34726	1.9
473.35828	0.4
571.27338	59.4
572.27612	10.7
585.25354	4.2
586.26031	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	570.3043
Annotation	14-O-Anisoylneoline
Peak:m/z	Relative Intensity
58.65391	0.4
59.01385	1.2
61.98833	100.0
66.64640	0.4
71.63048	0.5
80.96510	0.6
83.05055	1.1
112.01191	0.4
133.02966	0.7
136.63870	0.5
140.24384	0.4
153.53662	0.4
161.02460	1.4
162.02809	0.6
179.03510	0.6
189.68422	0.4
335.48251	0.5
467.31653	1.7
485.32730	5.5
486.32758	0.6
570.30450	73.8
571.30792	9.1
578.03644	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	570.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31315	0.2
59.01374	1.1
61.98830	100.0
69.48075	1.4
70.34319	0.1
71.01398	0.2
72.99316	0.4
93.43609	0.1
96.66762	0.2
101.02443	0.3
111.44615	0.1
116.92851	0.4
121.02971	0.2
128.44354	0.2
133.02957	0.2
135.04507	0.7
145.02928	0.2
161.02481	0.7
179.03580	0.4
190.26242	0.2
217.15094	0.2
267.06686	0.2
380.00116	0.2
510.36703	0.2
570.26611	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	571.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.9
61.98843	0.4
62.58977	0.4
71.01393	1.5
71.62494	0.5
72.99297	0.9
74.98232	0.4
77.19576	0.5
84.79472	0.4
85.02948	1.1
89.02454	0.8
96.96014	8.3
98.95600	4.8
98.96447	0.7
99.00894	0.5
99.92584	18.6
100.92587	1.1
100.93368	1.4
101.02477	0.4
109.02983	0.5
115.92083	24.4
116.05054	0.6
116.16847	0.5
116.92862	100.0
117.92877	4.3
117.93642	0.9
135.04512	0.7
137.02499	0.5
140.92847	0.8
141.93658	1.1
142.94470	2.0
146.05824	0.5
156.92332	1.1
158.93861	0.9
170.93936	1.5
173.92561	0.5
174.93422	0.6
183.94702	0.6
184.91830	3.1
196.95505	0.6
226.96576	0.7
244.97633	1.3
259.96289	0.8
295.18268	0.5
365.22302	0.6
431.07779	1.1
449.09003	2.7
467.10284	2.1
485.11130	3.9
486.11612	0.6
491.09891	0.9
509.11118	1.4
527.12329	7.5
527.20020	0.9
528.12543	0.8
542.18475	0.5
571.11169	22.2
572.11371	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	569.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
59.77815	0.8
61.98827	8.6
62.99220	0.8
70.13664	0.8
72.26464	0.8
74.46907	0.9
78.95904	2.8
87.21204	0.8
97.71189	0.8
133.02991	3.0
134.03351	0.8
152.99579	3.7
161.02425	11.2
162.02797	3.5
207.11273	0.8
241.05042	0.9
253.21782	2.6
256.75729	1.3
275.79294	0.9
487.34290	100.0
488.34506	10.6
569.27350	3.8
569.34637	60.4
570.35059	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	569.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.3
61.98837	7.4
71.05003	2.2
71.62411	1.7
83.02460	1.3
109.58732	1.3
133.02945	3.1
134.03729	4.2
135.04478	1.4
151.76686	1.4
161.02417	3.0
162.03035	1.2
165.47365	1.3
167.86482	1.6
178.02632	1.9
275.09250	2.6
393.31784	1.4
423.32648	4.7
427.32230	1.7
441.34067	2.0
443.35190	1.8
467.31787	2.9
469.33261	14.4
470.33243	2.0
487.34326	80.2
488.34460	8.8
569.34607	100.0
570.34735	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	570.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92076	2.3
59.01098	4.0
59.01381	72.8
61.98517	4.5
61.98833	89.9
71.01375	22.6
71.63081	4.4
72.99291	3.1
73.02948	7.6
82.91780	2.4
83.01335	3.9
85.02947	7.9
87.00835	2.4
89.02449	10.6
93.03442	15.4
95.01411	3.0
101.02469	16.2
112.48403	2.8
112.93732	21.2
113.02447	10.6
119.03497	6.0
121.02954	3.7
135.04495	6.5
136.01678	4.3
137.02461	36.2
145.03003	3.5
151.04024	3.6
161.02444	5.0
163.04010	4.8
163.11143	3.3
179.03477	13.5
207.10289	8.4
221.23648	2.9
239.05545	6.9
260.09290	6.6
261.09470	4.0
262.09735	6.6
387.16623	27.1
507.18677	100.0
508.18893	14.2
510.24496	14.0
528.25458	9.9
535.51520	2.9
570.26715	49.6
571.26239	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	569.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36222	4.7
59.01382	96.0
61.98833	58.4
66.91507	4.4
71.64314	7.5
72.99296	5.6
77.30804	5.2
83.53556	4.5
96.96943	4.5
97.43768	4.1
97.61193	3.9
110.86031	4.1
121.25755	4.0
133.02927	17.5
134.03748	17.2
135.04500	9.5
137.02431	5.0
160.01707	5.4
161.02417	34.1
162.02879	6.6
178.02737	11.7
181.28255	4.5
205.44157	4.6
212.83177	4.4
257.08377	5.1
275.09207	17.7
293.10187	4.8
351.29388	4.3
469.33408	8.7
471.34866	26.6
487.34277	15.7
525.32245	100.0
526.32458	7.9
569.27399	5.5
569.34613	32.5
570.30981	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	569.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60619	0.2
57.24845	0.2
59.01377	0.8
59.63305	0.2
61.98837	0.2
64.36581	0.2
67.38158	0.2
69.79662	0.2
69.79973	1.0
71.01401	0.2
73.02940	1.0
98.19926	0.2
99.92585	8.4
100.92593	0.2
108.04568	0.2
114.93433	0.3
116.92863	100.0
117.01937	1.6
117.92865	4.3
135.04552	0.5
138.05588	0.2
150.05632	0.2
161.02388	0.3
179.03427	0.3
239.09181	0.2
273.78247	0.2
276.58527	0.2
281.09271	0.5
313.21475	0.2
444.16467	0.2
444.26575	0.2
533.19849	0.2
538.17828	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	569.3001
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
51.80494	1.1
61.98840	1.4
69.30245	11.1
71.01377	5.6
73.02926	1.2
78.98602	6.1
79.95750	8.7
80.96517	63.4
81.03453	1.3
85.02920	2.0
87.00842	2.6
94.98083	13.4
96.95984	1.9
97.02964	1.5
98.19815	2.2
101.02457	2.3
104.65531	1.1
104.83219	1.1
106.98071	3.7
115.47501	1.3
122.97557	2.6
125.02453	1.8
134.97551	3.9
136.99153	1.8
148.99165	5.2
152.98624	5.1
164.98636	12.8
206.99638	2.6
225.00746	13.7
257.21213	1.2
269.24835	2.0
292.04376	1.1
297.81616	1.1
299.04465	2.7
330.75165	1.2
391.58722	1.2
436.70541	1.2
569.29987	100.0
570.30182	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	569.2236
Annotation	Ro 09-1468
Peak:m/z	Relative Intensity
54.46835	0.7
55.88058	0.7
59.01383	68.8
60.01684	0.7
61.98823	3.3
67.71259	0.7
69.03446	1.2
71.01386	9.1
71.64333	1.0
72.00343	0.6
72.99332	1.9
81.03450	2.8
83.05021	3.1
85.02959	2.7
89.02448	12.4
90.68409	0.7
93.03463	1.6
95.01371	0.8
95.05028	6.7
95.95259	0.6
97.83482	0.7
101.02451	8.6
108.02203	1.1
109.02949	2.3
109.06583	2.6
113.02439	5.1
119.03487	5.1
119.04926	0.8
123.04508	1.7
123.08157	10.6
125.17285	0.7
135.04517	2.5
135.08150	2.0
141.05576	1.3
152.01143	1.7
161.06001	1.0
167.07123	1.6
177.09218	10.0
179.07095	1.3
185.08171	0.9
195.10286	1.5
221.08249	1.3
239.09215	1.8
329.12241	1.1
347.13455	67.7
348.13763	4.2
551.21759	1.5
569.22394	100.0
570.22778	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	569.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29582	0.7
57.03450	1.7
59.01381	35.3
61.98824	1.1
69.86832	0.6
69.95267	3.0
71.01383	3.9
72.99330	1.5
79.92887	0.7
83.01402	1.0
85.02957	1.6
87.65617	0.7
89.02460	3.3
92.02683	1.4
93.03460	39.8
95.01394	3.1
97.02989	0.8
99.04514	6.0
101.02451	2.8
107.05027	2.3
108.02156	3.2
113.02452	2.9
121.03034	1.3
123.04527	1.0
125.33732	0.6
127.11903	0.6
135.04543	5.5
136.01666	20.9
136.33957	0.7
137.02446	88.6
138.02808	2.5
145.02945	1.7
149.02466	2.4
151.04010	8.5
161.02368	1.1
163.03961	1.2
165.12833	2.5
179.03494	68.2
180.03886	2.5
189.05652	0.9
189.12872	1.2
201.55745	0.6
207.13905	7.0
209.04530	12.1
209.09837	1.1
209.11833	20.0
210.12111	0.9
225.14911	4.0
239.05597	50.3
240.06010	1.6
251.12956	6.3
269.13934	100.0
270.14276	6.4
284.12888	0.9
299.07703	15.5
300.08136	0.8
376.02084	0.8
449.20370	4.1
551.21283	1.5
569.22314	62.4
570.22760	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	569.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75535	0.4
57.03462	0.6
59.01086	1.1
59.01382	16.5
61.98836	1.9
65.03960	0.7
69.49505	0.5
71.01385	1.4
72.99301	3.3
73.66080	0.4
77.69860	0.5
78.51590	0.5
78.95913	0.9
80.96537	0.5
83.01400	0.5
88.89403	0.5
89.02460	0.9
93.03461	44.7
94.03796	0.9
99.04504	2.5
101.02441	1.3
109.03031	0.7
117.96696	0.5
121.03015	1.0
133.02957	1.5
134.03758	0.7
135.04512	2.4
137.02446	100.0
138.02779	3.3
143.39894	0.6
149.02425	0.9
151.04022	4.9
159.04504	0.5
160.31137	0.5
161.02388	3.6
165.12817	1.4
179.03474	5.4
187.07652	2.3
202.06422	0.6
207.13918	3.6
209.04529	2.6
209.11821	7.4
210.12056	0.7
215.07191	0.7
225.14938	1.4
231.10176	0.6
239.05537	2.0
247.09930	0.5
251.12808	2.3
269.13931	45.6
270.14212	2.2
275.09198	0.7
287.15005	0.5
293.10147	0.9
299.07681	2.2
308.38272	0.5
319.14001	0.7
320.24414	0.6
389.16187	2.6
407.17322	2.5
431.19199	1.5
438.47934	0.6
547.29297	0.6
569.22284	16.5
569.31451	1.0
570.22528	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	569.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
61.98830	5.6
71.01373	1.0
72.99311	44.9
75.00887	0.6
78.95890	0.4
80.44892	0.3
85.02919	0.4
85.06432	0.3
93.03459	1.8
99.92570	2.0
101.02393	0.4
109.02948	0.8
115.92099	2.3
116.92850	4.1
119.05046	0.5
121.02946	1.5
122.03721	1.4
123.04546	2.2
132.02180	0.4
133.02971	5.5
134.03790	2.3
135.04520	5.4
137.02446	4.9
139.03996	0.9
145.02959	0.5
146.03722	1.5
147.04512	1.0
150.03204	1.1
151.04016	3.6
158.03752	0.5
159.04518	1.1
160.05273	2.7
161.02446	10.3
161.06059	1.0
162.06877	0.5
163.04024	0.8
172.05325	2.5
173.06020	1.6
174.03250	0.6
174.06818	0.7
175.04025	1.8
176.04813	0.9
178.02725	6.4
179.03407	1.4
183.13841	0.8
185.06105	0.9
186.06894	0.8
187.04031	3.0
187.07629	0.7
189.05551	0.7
190.06360	4.5
197.04512	0.8
198.06900	0.5
200.04774	0.6
201.05565	1.4
202.06422	2.0
211.13390	7.6
212.13881	0.5
212.94882	0.6
224.94894	0.4
231.10245	0.5
241.12321	0.5
242.96054	1.0
255.13951	0.8
259.13358	0.7
271.13397	1.3
273.14984	0.7
283.13419	12.5
283.16748	0.8
284.13684	0.6
285.14853	0.4
287.16537	1.1
293.10309	0.5
297.14917	2.5
299.16620	1.1
300.13751	0.5
301.14459	16.5
302.14801	1.3
309.15048	3.0
315.16000	8.4
316.16376	1.1
327.16037	6.2
333.17053	3.0
343.15845	0.4
345.17084	3.6
353.13623	0.5
363.18060	0.6
371.14932	1.9
389.16022	12.0
390.16492	1.1
407.17099	100.0
408.17477	8.8
433.74692	0.4
471.76361	0.5
507.18845	0.5
569.20551	3.6
569.27142	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	569.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
61.98835	2.6
71.01382	1.4
72.99306	42.6
75.00861	0.7
83.55801	0.6
86.06196	0.5
89.97832	0.5
90.83727	0.5
91.66834	0.5
93.03470	1.5
95.90016	0.5
96.96000	0.7
98.20720	1.2
98.95581	0.9
99.92580	8.2
100.93331	1.1
101.08603	0.5
105.03455	0.5
108.02086	0.6
109.02956	0.9
115.92070	15.1
116.92857	27.8
117.92857	1.3
119.05004	0.6
121.02946	1.5
122.03742	1.0
123.04524	2.1
133.02942	6.1
134.03755	2.7
135.04526	5.3
137.02406	3.3
141.93579	0.6
142.94429	0.9
146.03781	1.0
147.04558	0.9
150.03220	1.4
151.03995	3.8
159.04526	1.2
160.05290	2.7
161.02435	9.3
161.06088	0.6
162.03064	0.7
163.04027	0.6
172.05310	2.3
173.06044	1.1
174.03159	0.5
174.06770	0.7
174.93346	1.0
175.03966	1.7
177.01930	0.9
178.02724	6.5
179.03481	2.4
185.06071	0.6
186.06854	1.1
186.93375	1.0
187.04008	2.4
190.06331	4.7
196.03777	0.7
201.05630	1.6
202.06371	2.2
211.07649	0.7
211.13348	6.8
212.95044	3.1
221.08034	0.7
242.96005	7.0
255.14044	0.7
257.15497	0.9
271.13422	1.3
273.14984	1.0
283.13394	9.6
283.16324	1.1
284.13776	0.8
297.14923	2.2
299.16537	1.1
301.14441	15.5
302.14685	1.0
302.98233	0.7
309.14825	3.7
315.15994	9.6
316.16391	0.9
327.16037	6.4
328.96024	1.1
333.17331	3.0
345.13477	0.8
345.17123	3.8
346.28616	0.6
346.97101	2.2
347.16733	0.6
371.14981	1.2
389.16046	12.8
389.21182	0.7
390.16644	1.1
407.17081	100.0
408.17432	10.2
468.61697	0.6
469.22894	0.8
569.06207	1.4
569.20087	2.7
569.26416	3.1
569.34045	0.9
570.21411	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	568.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07893	0.3
59.01379	4.9
61.98825	2.0
64.69669	0.3
71.01380	0.3
71.04729	0.3
71.05151	0.3
75.02827	0.3
78.95917	0.3
89.68783	0.3
97.92105	0.3
98.19855	1.1
105.27994	0.3
117.03468	29.7
118.03791	1.1
119.05027	5.8
120.05328	0.4
121.02914	0.4
135.04497	0.6
137.02538	0.3
143.04982	1.4
145.02956	100.0
146.03294	4.1
147.04497	0.6
161.02478	0.4
163.04012	7.9
179.03467	0.4
187.04019	2.0
222.74648	0.3
227.07144	0.3
244.61440	0.3
261.51996	0.3
311.05591	0.3
391.10147	0.3
464.13492	1.8
482.14481	0.4
507.35138	0.4
524.08173	0.5
524.15607	7.2
524.23523	0.4
525.15942	0.9
591.39764	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	568.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26805	0.8
59.01363	3.4
61.98839	4.5
61.99135	0.8
69.12109	0.8
69.66938	3.7
69.67348	1.5
71.01366	2.5
72.99298	1.3
77.01009	0.8
85.80060	1.1
94.06628	1.8
101.02460	1.1
104.05066	1.9
106.06616	1.1
107.03777	4.8
109.02982	1.4
112.50802	0.9
119.04982	1.0
121.05334	13.6
122.06120	38.2
123.04494	1.0
126.24876	0.9
130.02895	0.9
132.04550	55.7
132.28519	0.9
133.02939	1.1
134.06134	3.9
135.04507	3.4
135.06891	4.0
136.04015	1.1
136.07668	4.6
138.05591	1.9
139.02725	1.7
149.04793	3.1
150.05589	4.4
152.07172	100.0
153.01859	1.4
153.07492	1.8
158.02519	2.6
160.03978	4.1
161.02429	2.9
162.05592	1.8
164.03514	6.8
164.07159	2.0
166.05067	3.9
167.05846	4.4
172.49612	0.8
176.03529	18.3
179.03592	1.0
187.39621	1.2
190.05109	12.0
191.05890	7.1
192.06522	1.2
236.09547	2.0
237.10167	2.1
239.08200	3.1
239.12016	1.7
249.10338	1.2
251.08192	1.9
251.11809	2.4
265.06018	1.3
266.10739	1.5
267.11282	1.2
279.07761	3.5
280.08505	3.4
281.09033	1.5
283.10928	1.3
284.11639	1.3
293.09454	2.5
295.10825	5.0
296.11462	2.7
297.12396	6.6
298.13022	1.5
311.10355	2.2
312.11163	4.9
313.11832	3.5
323.10385	2.2
324.11017	1.7
325.11945	1.8
326.11850	1.1
327.13522	3.0
328.14911	1.0
330.12271	0.9
338.09271	1.0
340.10590	0.9
341.11417	58.8
342.11606	3.5
355.12985	19.9
356.13754	41.4
356.18250	1.7
357.14096	3.5
370.11514	1.1
388.12759	38.1
389.13065	2.2
392.19839	1.5
401.17242	2.7
404.16049	3.5
416.19983	1.6
445.16266	2.0
460.18677	4.5
477.18997	1.6
492.21371	15.9
493.21561	1.4
504.17841	2.5
524.24030	43.9
525.24268	6.4
536.20386	13.9
537.20587	1.5
568.22986	56.6
569.23346	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	568.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41425	0.4
59.01365	1.8
60.01715	0.5
61.98830	21.4
62.94568	0.4
71.39644	0.8
72.99303	1.3
74.02502	0.4
77.81582	0.4
79.63580	0.5
93.03418	0.6
109.02960	3.6
121.02946	1.9
132.02174	0.5
133.02946	13.6
134.03790	3.7
135.04550	4.4
137.02437	6.3
139.04033	1.5
145.02901	1.1
149.02448	6.6
150.03181	2.2
161.02443	50.6
162.02794	1.9
172.05344	0.6
174.03195	0.6
178.02676	2.7
179.03506	5.8
180.03738	0.7
187.07626	1.0
189.01901	0.5
193.05054	100.0
194.05408	3.8
194.43431	0.5
238.05936	0.6
250.06326	0.9
257.08109	0.9
267.06598	21.6
268.07077	0.8
275.09265	0.8
283.06085	2.1
311.05627	18.7
312.06058	1.6
318.04855	0.5
325.07104	1.3
355.08194	6.9
356.08481	0.8
370.08588	0.5
389.15869	1.7
407.17023	1.3
505.11478	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	568.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68027	0.2
56.74714	0.3
59.01132	0.4
59.01387	4.7
61.44616	0.3
61.98837	1.6
67.74008	0.3
69.27881	1.9
69.28306	0.9
75.15527	0.3
84.58034	0.3
85.02953	0.2
93.03454	0.4
117.03468	32.6
118.03792	0.8
119.05028	9.3
120.05335	0.3
135.04535	0.7
138.34966	0.2
143.03992	0.3
143.05045	1.1
145.02954	100.0
146.03293	3.7
147.04475	0.3
150.54826	0.3
161.02452	0.5
162.03117	0.4
163.04007	13.3
164.04350	0.5
185.06110	0.3
187.03989	2.1
187.79076	0.3
234.95978	0.3
237.92032	0.3
391.10257	0.4
464.13501	2.5
482.14819	1.2
524.15601	12.5
525.15900	1.9
568.19385	0.6
569.26080	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	567.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72006	1.3
59.01383	14.6
61.98835	26.9
69.54242	10.8
80.91685	1.7
83.05013	3.4
117.21259	1.4
133.02957	3.2
152.99628	1.7
161.02473	7.2
165.69429	1.7
249.91855	1.7
355.22449	2.8
467.31589	6.3
485.32739	100.0
486.33151	12.5
567.33014	76.6
568.33624	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	567.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98835	5.3
66.80729	1.1
69.48506	1.1
69.56058	4.4
69.56468	4.1
78.95886	1.6
80.96516	3.9
82.96099	2.8
87.14690	1.3
96.95979	1.1
96.97658	1.2
99.92567	1.2
100.96647	1.0
108.28648	1.4
115.92102	1.8
152.99611	2.1
161.02432	1.8
166.06647	1.2
177.96597	1.1
250.48543	1.3
258.81036	1.1
307.94028	1.2
338.80011	1.2
404.78229	1.3
471.34781	100.0
472.35150	15.4
473.35294	3.7
566.48846	1.5
567.26996	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	567.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24550	1.0
61.98825	5.6
67.71648	1.1
71.64897	1.6
78.95885	1.6
80.94819	1.1
152.99524	1.2
159.80972	1.1
160.90535	1.1
469.33548	2.7
471.34784	100.0
472.35022	17.2
473.35461	3.0
567.28564	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	567.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	7.0
61.98822	4.5
69.92770	8.6
69.93164	6.1
71.01389	3.5
73.02937	7.1
77.23471	3.3
78.63935	2.7
87.00884	6.1
89.02460	4.5
89.22081	3.0
96.96038	4.2
97.06567	2.8
103.11682	2.7
117.01923	10.8
119.05043	39.0
121.02936	5.3
135.02998	32.9
161.04500	3.4
163.02707	6.2
163.04028	100.0
164.04324	4.6
215.66867	2.9
246.09700	3.0
281.06662	18.1
324.12180	3.1
567.25403	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	567.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57703	1.9
57.62866	1.9
59.01384	22.6
61.98835	31.0
71.01392	11.3
71.62919	2.8
72.99297	2.9
73.02951	11.0
82.70390	1.8
83.01396	2.2
83.05011	8.0
101.02447	5.4
109.02970	2.3
113.02460	3.2
133.02956	16.8
141.92709	1.9
161.02448	61.7
161.04477	2.4
165.10561	2.1
170.01038	1.9
202.06630	2.0
254.23410	1.9
267.06549	2.0
269.86911	2.5
276.65793	1.9
299.12857	4.3
343.15433	5.7
355.22772	3.5
357.28064	3.3
357.69696	2.4
363.12393	2.2
413.30103	2.4
423.32477	2.3
467.31778	14.1
468.32111	2.5
481.28409	3.0
485.32666	81.8
486.33224	8.6
505.18597	4.3
523.29089	36.1
524.30017	3.4
567.25684	3.9
567.33008	100.0
568.33148	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	567.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06866	0.8
59.01387	1.4
61.98809	2.3
70.73150	0.7
70.89550	2.2
71.01388	6.9
73.02941	1.2
78.95911	2.6
78.98587	5.2
79.95738	8.7
80.96515	60.8
85.02955	2.5
87.00869	2.3
90.99770	0.7
94.98083	13.5
96.95979	0.8
97.02949	1.2
99.00884	0.9
101.02454	1.9
106.98064	2.6
113.02481	1.0
122.97584	3.0
125.02439	2.7
134.97559	5.1
136.99147	1.2
148.99121	5.1
152.98569	4.9
164.98630	10.2
179.03621	0.7
196.89394	0.8
206.99669	1.7
225.00703	11.2
255.23325	2.2
267.23297	2.9
299.04462	2.2
315.82172	0.8
352.75406	0.9
464.97580	0.8
471.34802	24.2
472.34998	3.1
482.25934	1.6
483.27539	1.5
567.28412	100.0
568.28760	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	566.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
61.98832	100.0
62.45673	0.3
63.43737	0.3
78.91890	3.7
78.95918	0.5
80.91687	4.7
92.30164	0.3
96.97690	0.3
98.19831	1.0
107.96186	0.3
108.14007	0.3
116.86655	0.3
117.66616	0.3
118.66232	0.3
152.99606	0.4
161.02489	0.7
161.40591	0.3
223.77977	0.3
249.18617	0.6
285.41965	0.4
485.32590	2.6
567.33362	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	567.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46700	0.2
57.03455	0.3
59.01382	100.0
60.01709	0.7
61.10633	0.2
61.98835	2.1
71.01387	3.9
71.64021	0.3
72.99310	0.6
73.02969	1.0
74.14326	0.2
78.95895	0.3
79.42236	0.2
83.01405	0.6
85.02953	1.7
89.02436	0.4
95.01384	0.2
99.00858	0.4
100.79610	0.2
101.02444	1.4
109.02947	0.3
113.02439	2.2
117.03461	0.3
119.05010	0.4
126.90513	91.1
133.02979	0.5
134.06116	0.7
135.04541	0.8
135.21631	0.3
137.02489	0.2
145.02979	1.3
158.86943	0.2
161.02437	1.0
161.04538	0.8
163.04039	0.5
179.03520	0.4
187.07495	0.2
219.21054	0.3
257.87686	0.3
311.05612	0.3
328.10330	0.2
344.13525	0.3
355.22510	0.4
358.15506	1.0
359.16119	1.4
360.16248	0.8
379.21216	0.5
507.12439	3.8
507.23175	0.9
508.13022	0.3
525.13385	1.8
567.14423	0.5
567.24390	0.5
567.33044	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	567.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17970	5.1
59.01378	54.6
61.98837	28.4
68.82046	4.8
68.99818	6.3
71.01382	9.3
71.64350	5.3
72.99303	15.4
78.95891	9.0
80.91678	10.1
93.03459	6.9
96.95969	5.6
101.02470	5.9
108.02171	5.6
109.02982	6.3
113.02502	6.1
117.03456	35.6
119.05025	71.7
133.02942	17.7
134.03754	7.4
135.04536	40.8
138.62636	4.5
143.05014	36.4
145.02956	93.9
149.02397	7.4
152.99611	7.5
154.05818	4.8
161.02393	26.0
161.06085	4.5
163.04008	100.0
174.03194	4.9
179.03506	9.4
187.02435	9.0
187.04015	90.0
188.04420	5.4
195.92026	4.6
208.35680	4.8
267.06561	12.7
312.36292	5.7
405.15756	6.5
419.16522	6.3
432.05301	4.7
479.19128	18.8
523.25739	6.4
567.26105	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	566.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.3
61.98834	100.0
66.04015	0.6
67.45570	0.6
71.62910	0.9
88.55331	0.6
95.77197	0.5
104.06660	0.6
115.72473	0.6
126.71072	0.7
147.12396	0.5
154.69841	0.6
308.79401	0.5
349.85580	0.7
354.21625	0.7
457.78641	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	566.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.2
60.27337	0.3
61.01801	0.4
61.98832	100.0
63.83375	0.3
71.30938	0.7
87.46731	0.3
88.01206	0.3
99.23045	0.3
115.70919	0.3
149.63504	0.3
152.99654	0.4
153.44742	0.3
154.72461	0.3
161.02461	0.7
168.92880	0.3
179.03503	0.4
338.26114	0.3
380.29974	0.3
471.34744	0.4
503.34052	0.4
567.32697	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	566.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55844	0.2
57.84861	0.2
59.01383	33.0
60.01714	0.4
61.98837	0.6
63.07949	0.2
65.99851	0.2
69.54784	1.6
71.01390	0.7
71.19115	0.2
73.03707	0.2
80.05062	0.4
89.02436	0.3
90.31682	0.2
93.03477	0.2
94.06634	0.5
95.05003	0.2
102.03526	0.5
104.05054	0.4
106.06634	4.2
107.03764	0.4
108.04559	0.9
109.02966	1.5
113.02450	0.3
116.05058	0.3
116.92880	0.2
117.03450	0.2
120.04563	0.4
121.03030	0.4
122.06122	6.2
124.07627	0.3
130.02972	0.3
131.03796	0.4
132.04559	3.7
133.02908	0.3
134.06128	33.5
134.23393	0.2
135.04546	0.6
135.06471	1.3
136.07654	0.4
144.04558	1.7
145.02962	0.3
146.06129	0.9
147.03268	0.5
148.04024	0.7
148.07744	0.3
150.05579	1.8
152.07172	3.5
158.02458	1.6
158.06143	1.0
160.04045	2.2
161.02449	0.4
161.04698	0.4
162.05655	1.7
164.07135	0.2
168.06619	0.4
172.04083	1.4
173.04819	0.3
174.05612	1.6
176.03548	2.6
176.07170	0.8
178.05078	0.2
183.09303	0.4
186.05573	0.3
188.03529	0.8
189.04346	0.2
190.05092	4.6
191.05745	0.3
192.06638	0.8
194.08237	2.5
196.07605	0.6
196.11363	0.3
197.04495	0.3
198.09462	0.3
199.08673	0.2
202.05116	0.7
203.05904	0.3
204.06664	0.5
207.09279	0.3
209.07240	0.3
211.08734	0.4
211.12416	0.8
212.05814	0.3
212.10875	0.4
213.10303	0.4
215.11858	0.9
216.06659	0.7
220.09944	0.2
221.07283	0.4
221.10861	0.5
223.08752	2.2
223.12233	0.3
224.07288	0.5
224.09464	3.0
225.10210	0.5
226.07460	0.2
227.08292	0.8
227.11943	0.7
233.07214	0.3
234.07906	0.5
235.08768	2.4
236.09474	1.8
237.10217	1.2
238.09016	0.3
238.11089	0.8
239.08369	1.1
239.11882	10.9
240.10428	1.7
240.12378	0.5
241.09869	1.6
241.13446	0.3
249.06531	0.6
249.10321	4.4
250.07452	0.5
250.11067	2.3
251.08240	0.6
251.11897	6.2
252.10390	1.4
253.06169	3.8
253.09775	1.5
254.06888	0.7
254.10594	0.4
254.67221	0.2
255.07838	1.3
255.11249	1.1
262.07333	0.5
263.08267	2.3
263.11847	0.5
264.08972	0.6
265.06067	0.5
265.09805	2.0
265.13232	1.7
266.06894	0.7
267.07352	3.3
267.11349	1.4
268.08545	3.4
269.09055	0.3
271.10818	0.4
272.08981	0.2
277.06967	0.3
277.09827	4.6
278.07678	0.3
278.10626	1.9
279.05020	0.3
279.07788	1.9
279.11365	3.1
280.08527	2.3
280.11578	0.3
281.09393	2.5
281.12482	0.4
282.10022	0.8
283.10876	33.5
284.11255	2.1
291.07751	0.9
291.10938	0.3
292.08508	0.3
293.09344	1.8
293.12561	0.3
294.10068	2.9
295.10861	11.7
296.11365	1.4
297.12283	0.5
305.09351	3.1
306.10153	3.6
307.10840	3.7
307.81290	0.2
308.11066	0.3
309.08810	1.7
309.12433	3.6
310.09457	0.6
310.12717	0.4
311.05795	0.7
312.11218	0.3
315.13574	0.3
321.08813	0.8
323.10242	2.0
327.09821	0.4
327.13458	0.4
335.10461	0.3
337.11966	2.6
338.12634	0.6
339.13544	0.3
354.12244	0.5
356.13742	0.5
358.19220	0.8
359.17670	0.4
360.17410	0.4
365.11343	0.9
371.16589	0.5
374.19009	0.4
383.12552	0.4
386.15204	0.3
386.18781	1.9
387.16986	1.3
388.16644	0.6
397.14072	1.0
400.12457	0.4
402.14380	0.3
402.18307	3.7
403.18921	0.5
412.16766	0.5
414.14536	0.7
415.15390	0.6
428.16257	1.5
430.17703	33.4
431.17990	3.8
446.16797	0.3
448.18719	3.0
449.19174	0.4
456.15363	1.2
457.15897	0.4
462.20679	1.8
474.16681	3.2
475.16995	0.4
488.18259	0.5
490.19846	39.0
491.13373	0.4
491.20218	4.9
492.17758	0.9
506.19235	1.7
506.33960	0.5
516.17773	1.7
517.18176	0.3
522.22754	0.4
534.18805	100.0
535.19135	13.2
566.21478	10.7
567.21613	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	565.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93649	0.2
55.01883	1.5
57.03455	3.7
58.00598	0.9
59.01382	100.0
60.01711	1.3
61.98829	2.0
64.54259	0.2
68.99838	0.2
69.03469	1.0
71.01385	30.1
71.66109	0.3
71.66513	0.2
72.01733	0.2
72.99303	1.9
73.02953	6.0
73.03336	0.4
75.00882	0.4
81.03450	0.3
83.01392	3.6
83.05033	0.2
84.02147	0.5
85.02953	14.8
86.00133	0.6
87.00883	1.9
87.04514	1.2
89.02447	8.1
90.61585	0.2
93.03439	0.3
95.01382	4.0
97.02955	1.3
97.06624	0.3
99.00888	2.9
101.02444	12.5
106.06634	1.4
108.02163	0.6
109.02951	4.2
111.00901	1.0
112.01680	0.9
113.02452	19.2
113.09799	0.3
114.02793	0.6
115.04027	0.5
117.75202	0.2
119.03517	2.6
119.04995	0.4
121.02964	0.7
122.06139	1.0
123.04529	0.6
123.08198	0.6
124.01685	1.0
125.02454	2.2
127.11290	0.6
129.01962	0.5
131.03520	0.5
133.02979	0.9
134.03719	0.5
134.06126	5.1
135.00909	0.8
135.04541	6.6
135.06476	2.2
136.04922	0.3
137.02487	0.6
139.00339	0.3
141.09264	0.3
143.03517	3.0
143.10805	0.3
145.02985	1.0
149.02583	0.3
151.04074	0.4
152.01154	0.5
152.07202	1.0
153.01929	3.1
153.05583	0.6
153.07457	0.5
153.09218	0.8
159.03082	1.2
159.04346	0.3
160.01649	0.3
161.02480	2.7
161.04532	5.0
161.05824	0.4
169.12338	0.7
171.13924	1.6
175.04048	0.3
179.03523	3.1
179.05710	0.3
187.13380	0.8
189.01950	0.3
189.09126	0.2
194.08157	0.3
197.04507	1.1
200.14217	0.3
201.14957	2.2
210.07935	0.3
217.14482	0.4
223.82561	0.2
225.06485	0.3
225.10260	0.3
237.06664	0.4
237.10315	0.5
238.07005	0.7
238.10765	0.5
239.07748	0.5
240.08446	0.3
249.05643	0.4
250.06638	0.3
251.08315	1.0
252.08723	1.0
253.09700	1.0
254.10146	0.7
264.08746	0.4
265.06296	1.3
265.09680	1.0
266.06750	2.1
266.10147	0.7
267.06760	4.5
277.06363	0.3
277.09543	0.4
278.06873	1.0
279.07330	1.3
280.08255	1.4
280.11523	0.2
281.09290	8.1
282.09650	8.8
283.09979	0.4
292.08316	0.6
293.09320	4.2
294.09683	5.7
295.10257	0.8
307.07382	0.3
307.10886	0.9
308.07980	0.3
308.11209	1.2
311.05664	0.9
313.11951	0.7
313.23648	0.2
314.12241	0.7
315.25424	0.6
343.28613	1.6
359.27856	1.3
361.29572	11.8
362.29971	1.3
371.12451	0.5
385.14304	0.3
386.15277	0.4
401.17175	1.1
403.30646	0.7
414.14374	0.4
415.84006	0.3
428.16092	0.5
429.16510	3.4
430.17178	0.3
457.31616	0.9
461.19067	2.2
469.31812	0.7
473.15463	0.4
475.32721	1.2
488.18591	1.5
489.18570	19.1
490.18799	1.2
502.16248	1.2
505.33823	99.8
506.26532	0.4
506.34119	11.1
521.20770	1.8
523.34833	26.7
524.35144	2.8
533.17554	6.9
534.17914	1.0
535.19958	0.4
565.20038	11.0
565.35504	3.0
566.20282	1.3
566.35034	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	565.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03449	4.6
58.00590	0.6
59.01381	100.0
60.01714	1.0
61.98828	2.5
69.03464	1.2
71.01385	24.0
71.04996	0.5
71.62851	0.5
72.99321	1.7
73.02948	8.0
75.00885	0.5
78.95930	0.4
81.03418	0.4
83.01392	4.5
83.76638	0.4
85.02950	13.5
86.00092	0.5
87.00878	2.0
88.98841	1.1
89.02451	4.0
93.03497	0.8
94.79002	0.4
95.01405	3.8
97.02979	1.6
99.00890	3.3
101.02448	13.4
104.90293	0.5
109.02971	2.3
111.00890	1.3
112.01680	1.0
113.02451	14.4
113.09740	0.5
115.03996	1.0
117.03533	0.4
119.03503	1.6
121.03008	0.6
123.04540	0.8
124.01644	0.8
125.02448	2.4
127.11258	0.5
129.01997	0.4
133.02966	1.2
134.06122	1.2
134.37767	0.4
135.04524	9.4
135.10422	0.4
136.04842	1.2
137.02448	1.6
137.09714	0.6
143.03513	5.0
145.02982	1.6
148.14468	0.3
152.01160	0.5
155.10823	1.0
159.02998	1.6
159.21452	0.4
160.01707	1.1
161.02478	3.5
161.04539	4.6
162.02855	0.5
171.13945	0.8
173.11887	0.6
175.04015	1.3
179.03473	2.2
185.15445	0.5
187.13367	0.5
197.04555	1.2
201.14940	0.9
209.11908	0.4
241.21849	0.5
265.04996	0.4
267.06705	1.7
269.21350	0.4
277.76013	0.4
281.09323	0.8
282.09622	0.7
283.10989	0.4
294.09738	0.5
295.22757	0.8
313.23895	0.6
315.25381	2.0
341.27145	0.5
343.28464	2.6
359.28088	1.5
361.29605	20.5
362.29980	1.6
387.16370	0.6
389.17624	0.9
403.30655	2.6
411.43384	0.5
429.16251	0.5
431.30066	0.5
432.31024	0.4
457.31512	1.1
475.32742	1.9
487.31589	0.7
489.18954	1.9
505.33826	91.0
506.34171	10.6
521.26245	0.7
523.34869	17.7
524.34998	2.0
533.17499	1.1
534.18756	1.0
565.19159	1.9
565.35901	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	565.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00667	0.6
59.01380	100.0
60.01729	0.7
61.98824	2.4
66.80734	0.6
71.01390	1.7
72.99308	1.5
73.02943	0.8
73.66382	0.5
78.95916	1.3
80.96551	1.0
85.02948	0.6
98.20616	1.4
101.02443	0.9
109.02970	0.7
117.03516	1.1
123.04515	0.9
133.03006	1.5
135.04523	3.5
137.02496	0.7
145.02975	1.9
161.02425	4.2
163.04106	0.8
179.03554	1.1
186.22205	0.5
209.63152	0.5
229.60381	0.6
310.05011	0.5
311.05676	0.7
325.39258	0.6
340.20554	0.5
348.69199	0.5
373.20016	0.7
388.22607	2.2
403.24924	1.4
405.28110	2.0
406.28613	0.5
423.29315	2.0
441.26425	0.8
466.70169	0.5
471.31100	19.3
472.32181	2.6
473.28830	0.7
487.30682	11.0
487.37305	0.7
488.31177	1.6
505.33636	2.1
515.30743	0.9
565.25818	1.0
565.34467	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	565.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03450	5.5
58.00597	0.8
59.01380	98.6
60.01714	1.2
61.98832	7.7
67.65057	0.4
69.03455	1.1
71.01382	22.3
71.05042	0.5
71.54855	0.3
72.01744	0.4
72.99298	1.7
73.02950	6.2
73.03333	0.4
75.00894	0.7
75.07079	0.3
81.03466	0.9
83.01386	5.5
83.05057	0.6
85.02955	12.7
86.00126	1.0
87.00885	2.3
87.04516	1.3
88.98804	0.4
89.02441	4.6
93.03470	0.6
95.01393	3.9
95.05042	0.6
97.02967	1.3
97.06586	0.6
99.00874	3.2
101.02445	13.2
106.06637	1.1
107.05039	0.8
108.02170	2.9
109.02965	6.0
109.06580	0.6
110.99780	0.3
111.00890	2.5
112.01655	0.9
113.02449	13.0
113.03236	0.7
115.03990	0.5
117.03465	0.5
119.03520	1.3
119.05035	0.8
122.06124	1.3
123.04529	12.2
123.08154	1.3
124.01680	0.9
124.04836	0.4
124.07603	0.3
125.02454	2.1
125.09741	0.7
127.11216	0.4
129.01909	0.6
129.09160	0.4
132.02147	0.4
132.04611	0.3
133.02971	1.4
134.03746	0.7
134.06123	7.0
135.04530	5.2
135.08119	0.3
136.07674	0.4
137.02431	0.7
137.09691	0.5
141.01874	0.4
141.09225	1.1
141.12837	0.9
143.03511	2.5
143.10805	0.9
145.02921	0.8
147.04501	0.4
149.02457	0.5
150.03210	0.5
151.04007	0.5
152.01146	2.3
152.07169	0.9
153.01958	5.2
153.05576	16.6
153.09221	1.2
154.05995	0.3
155.10794	0.4
159.02989	1.1
160.01692	1.1
160.04079	0.4
161.02475	3.6
161.04529	3.7
161.09705	0.6
162.02791	0.6
162.05609	0.4
163.04086	0.7
165.05544	0.5
166.66824	0.4
169.12358	0.6
171.13890	2.6
173.11926	0.3
175.03981	2.2
176.03171	0.3
179.03528	2.1
179.05627	0.7
181.05115	1.0
187.11319	0.7
187.13411	1.1
187.68106	0.3
190.05136	0.7
193.05084	0.8
197.04561	1.2
199.13394	0.4
200.14151	0.7
201.14935	3.5
205.12335	0.4
207.10335	0.5
216.13716	0.3
217.14400	0.9
223.13304	0.5
239.11861	1.1
249.10632	0.4
251.11966	0.7
263.08429	0.6
265.09811	0.4
267.07452	0.5
267.11890	0.4
277.09937	0.7
277.21829	0.3
279.07614	0.7
280.08420	0.6
281.09235	1.2
282.10034	0.4
283.10855	4.2
287.22308	0.4
293.09250	0.5
294.10034	0.5
295.10818	2.4
305.09329	0.5
309.08728	0.4
309.12347	0.7
315.07196	0.8
315.10910	1.5
315.25375	1.2
317.26923	0.7
341.26746	0.4
343.28430	1.6
359.27966	2.5
361.29578	16.6
362.30078	1.0
385.14883	0.4
387.16833	0.6
388.17102	0.9
389.17230	1.3
402.18524	0.4
403.30502	0.8
411.16617	0.9
414.14438	0.4
430.17636	4.1
457.31198	0.9
461.17404	1.2
461.31250	1.1
469.31021	0.5
474.16342	0.7
475.32639	1.1
487.31970	0.5
489.18744	1.0
490.19897	4.2
505.33820	100.0
506.19272	1.4
506.34064	10.9
521.19385	3.1
523.34875	27.8
524.35150	3.7
525.15894	0.4
529.26361	0.8
533.17780	0.7
534.18842	11.0
548.19714	0.3
565.22278	6.8
565.36005	2.0
566.21411	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	565.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68556	0.9
59.01382	10.4
69.34943	8.3
71.01387	2.4
73.02931	1.1
77.03982	2.7
78.23811	0.8
81.03455	1.9
83.05029	2.4
87.00888	1.9
89.02450	2.3
89.03953	1.3
93.03445	1.6
95.05034	10.8
96.96011	1.6
100.06332	0.9
101.02457	2.5
105.03461	18.7
109.03059	1.0
109.06561	2.0
113.02437	1.0
121.03000	0.8
123.04501	1.6
132.02156	1.5
133.02960	100.0
134.03279	3.2
135.04578	1.0
135.08156	1.4
151.04021	1.1
177.01926	48.4
177.09247	6.4
178.02382	1.9
178.09715	1.0
181.07245	1.0
195.10208	1.3
239.09239	2.8
240.09662	1.7
273.83051	0.9
277.75821	0.9
343.12643	2.8
565.21252	19.9
566.21649	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	565.338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75243	0.7
59.01382	100.0
60.01719	0.9
61.98822	2.1
62.63100	0.8
71.01388	2.8
71.05022	0.7
71.62621	1.0
71.71179	0.7
72.99323	2.4
73.02946	1.2
78.95934	1.7
83.01410	1.2
83.24952	0.6
85.02956	1.5
89.02483	1.4
93.03468	1.1
95.05041	1.7
101.02468	1.7
108.02184	1.2
108.26471	0.7
108.28712	0.7
109.02975	1.4
111.04564	1.1
113.02446	1.2
113.06097	2.6
116.92941	1.5
119.05051	5.4
133.02969	1.5
135.04526	7.1
135.53368	0.7
136.04828	0.8
137.02467	3.3
141.01939	0.7
151.04018	0.9
152.99600	0.7
161.02438	6.5
161.06114	1.2
163.03999	7.2
163.07762	0.7
164.04413	0.9
177.09262	1.1
179.03525	3.1
181.05075	4.2
201.12729	0.8
216.65375	0.7
239.03540	0.8
239.09276	1.4
307.20313	0.9
309.18747	0.9
339.05173	1.1
343.06876	0.7
343.10513	3.3
366.35324	0.8
373.13693	0.9
373.23944	3.0
375.25513	0.9
391.24933	14.9
392.25357	2.3
401.23474	2.5
403.16779	1.2
403.24860	15.3
404.25195	1.0
405.94055	0.8
427.28766	6.4
427.33923	1.1
469.29614	15.0
470.30081	2.4
471.27426	8.2
472.28076	1.4
487.30649	54.4
488.31024	5.9
504.27588	1.1
505.31915	6.1
506.32077	1.2
521.26300	2.5
565.19708	9.2
565.28894	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	565.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65395	0.5
59.01090	1.2
59.01382	24.3
60.87804	0.7
61.98819	2.3
68.99809	2.0
71.64035	0.5
71.64440	0.6
72.99303	2.7
75.64230	0.6
75.99208	0.6
78.95898	0.7
82.12701	0.7
91.94278	0.6
117.03473	38.1
118.03871	1.2
119.05025	21.8
120.05357	0.6
121.02940	1.3
123.04482	0.9
133.02943	2.2
134.03748	1.3
135.04501	2.6
136.04932	0.7
143.05023	5.5
145.02963	100.0
146.03258	3.8
149.02510	0.7
150.03188	0.7
151.19868	0.6
152.99583	1.6
161.02483	5.8
161.06172	0.8
162.03001	0.6
163.04021	23.6
164.04419	0.8
179.03506	3.2
187.04016	16.0
187.07648	1.5
188.04333	0.8
193.05101	1.0
201.05667	1.0
203.07150	1.3
209.18611	0.7
222.22987	0.6
312.34970	0.7
389.16199	2.1
401.19656	3.0
461.21954	3.3
479.22800	1.2
521.23822	26.3
522.24298	3.0
565.23865	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	565.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05733	0.4
50.37688	0.4
54.52678	0.4
57.03435	1.5
59.01382	15.3
61.98836	2.3
71.01379	2.3
73.02948	1.7
79.19057	0.3
83.01390	2.0
83.05021	0.4
83.20897	0.4
85.02943	0.8
87.00874	2.3
89.02443	0.4
93.03442	0.9
95.01400	0.7
95.05018	1.1
97.06621	0.5
98.20652	0.6
101.02443	2.0
106.06602	0.7
107.05029	1.8
108.02208	2.3
109.02967	2.0
113.02463	1.4
119.03523	0.5
120.05817	0.7
121.02975	0.8
122.03719	0.8
122.06108	0.6
123.04525	75.8
124.04855	2.1
125.02390	0.6
133.02975	1.0
134.03731	0.4
134.06134	2.3
135.04541	2.7
135.06485	0.6
137.02483	0.6
143.03516	0.4
145.02968	0.5
152.01108	2.5
152.07199	0.6
153.02133	2.7
153.05573	100.0
154.05910	3.6
155.91177	0.4
160.01678	1.1
161.02441	1.3
161.04607	0.7
161.09697	3.3
161.13322	1.5
163.04019	0.5
163.11354	1.2
165.05539	0.5
175.04015	1.2
179.03473	0.7
183.35875	0.4
186.75558	0.4
187.11238	3.9
189.09161	2.4
193.05040	0.6
203.10741	0.6
205.12357	1.6
207.10323	0.8
223.13379	1.7
231.10281	1.0
249.11302	2.8
267.07080	0.4
267.12506	1.6
270.11511	0.6
273.11667	0.5
281.09402	0.5
282.09961	0.5
291.12656	0.5
294.09866	0.6
315.07413	0.5
315.10806	10.8
315.32880	0.4
333.12961	0.4
361.29669	0.5
402.29446	0.4
411.16559	4.7
417.18027	0.9
429.16577	0.4
461.17657	1.0
477.20337	0.9
489.18649	1.8
505.20911	0.5
505.33762	3.4
521.19360	2.8
523.34863	1.1
533.17542	0.9
565.23041	38.1
566.23517	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	565.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
57.03435	1.1
57.89839	0.8
59.01381	46.5
60.01702	2.5
60.33701	0.8
61.01768	1.0
61.98803	1.1
69.42625	7.8
71.01382	6.9
72.99306	1.1
73.02929	2.7
77.43669	0.8
81.03419	1.2
83.01389	4.9
83.05005	1.2
85.02922	3.1
87.00861	2.0
89.02416	1.5
93.03454	1.6
95.01395	1.9
95.05013	1.6
101.02409	3.3
106.06619	2.1
107.04986	2.4
108.02169	17.5
109.02956	14.1
113.02396	2.3
122.03728	1.6
122.06078	1.9
123.00854	1.2
123.04525	80.9
124.04806	1.7
134.06125	12.5
135.04442	2.5
135.06430	4.5
135.13942	0.9
138.75729	1.0
152.01158	19.4
153.01984	9.8
153.05573	100.0
154.05826	3.9
161.02405	1.3
161.04555	1.4
161.09680	4.4
161.13272	1.1
177.01897	1.2
187.11247	5.9
189.09077	3.6
197.04437	1.1
205.12277	3.5
207.10158	2.8
223.13307	1.7
231.09978	1.2
237.10081	1.2
249.11169	3.0
251.08223	1.6
253.09467	1.3
254.09912	1.6
265.05878	2.1
265.09607	2.1
266.06683	3.6
267.07132	3.4
267.12204	1.1
278.06729	1.0
279.07321	1.9
280.08087	1.9
280.96698	0.9
281.09332	12.7
282.09644	15.0
286.97412	0.9
293.09262	7.6
294.09726	10.2
307.10876	1.2
308.10898	2.2
313.11844	1.5
314.12109	1.7
315.06973	6.1
315.10672	10.6
333.12814	1.1
361.29352	1.0
385.12814	1.1
401.16983	1.9
411.16187	3.8
429.16550	4.2
436.25980	1.1
461.19107	4.2
488.17929	2.6
489.18594	27.0
490.18307	2.0
498.35364	1.0
504.32092	2.6
505.16983	3.3
505.33133	12.0
521.20782	5.1
523.33832	2.8
533.17505	11.3
534.16779	1.2
547.18829	1.5
565.20105	68.1
566.20697	9.3
567.03979	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	565.2288
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
51.74618	1.3
55.01875	1.9
57.03442	1.5
58.00589	2.9
59.01382	86.2
60.01719	1.5
63.52134	1.2
69.58086	5.4
69.58501	3.8
71.00982	2.4
71.01383	51.1
72.99312	5.2
73.02943	5.8
79.95048	1.3
83.01390	5.9
85.02952	16.6
87.00876	5.6
88.78294	1.4
89.02449	42.2
92.24437	1.3
95.01386	5.4
97.02943	2.4
99.00877	2.0
101.02444	22.6
109.02965	5.0
113.02448	20.3
119.03504	17.3
119.04955	1.6
121.02976	12.0
122.03753	8.2
123.04546	1.9
124.01652	1.4
135.04501	5.9
136.01620	2.3
136.05219	1.4
137.02457	2.4
143.03531	2.8
146.03809	2.0
147.04565	7.5
149.04608	2.1
149.06125	2.4
151.00394	1.7
151.03993	3.6
159.04466	1.2
161.02435	3.3
161.04547	3.5
161.06084	5.9
162.06802	2.3
163.03986	2.8
165.05579	20.9
166.02722	5.4
166.06000	1.5
173.06042	1.3
175.04068	1.7
175.07664	2.3
177.05563	1.4
179.03972	1.2
179.05582	7.2
179.07133	5.6
181.05014	4.5
185.43364	1.2
188.04765	2.2
191.07005	2.3
203.03403	2.4
203.07175	1.6
211.06085	1.4
218.05754	2.2
236.18796	1.4
252.04288	1.6
264.04251	2.3
267.06656	3.2
278.55344	1.3
279.06528	4.4
280.03839	4.2
280.07098	2.3
282.09100	2.2
294.08951	7.2
295.06061	6.5
295.09479	2.9
298.12396	2.2
309.07755	2.7
310.08453	9.1
313.14401	5.3
315.12177	2.0
322.08313	1.4
323.08957	1.4
324.10025	1.9
325.07321	2.5
325.10800	13.8
326.11176	1.4
328.13229	3.5
334.00775	1.3
337.10727	2.1
343.15527	9.8
346.14172	5.8
347.14902	2.4
355.11804	5.8
361.16559	50.0
362.16870	4.8
373.12634	2.3
385.12933	44.3
386.13251	5.1
487.30753	3.3
505.20822	100.0
505.33246	5.6
506.21167	10.6
521.27637	2.4
523.21930	38.4
524.22260	3.5
565.23090	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	565.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58913	0.3
59.01381	9.7
61.98843	2.3
68.99812	0.8
71.01373	0.6
72.99308	0.4
80.91689	1.3
86.73784	0.3
88.41908	0.3
96.96010	1.2
110.45747	0.3
117.03468	31.9
118.03796	1.1
119.05023	9.9
121.02959	0.6
133.02962	0.9
135.04512	1.1
143.05016	4.1
145.02954	100.0
146.03294	3.9
147.04529	0.4
152.99535	0.3
161.02402	1.4
161.06158	0.4
162.02930	0.4
163.04008	13.9
179.03531	0.6
180.36487	0.3
187.04015	10.1
188.04379	0.5
201.05592	0.3
248.19925	0.3
253.93422	0.3
353.21384	0.4
389.15784	0.3
408.90048	0.3
417.17389	0.4
461.21802	2.8
462.21420	0.3
479.22665	0.7
521.23907	29.6
522.24139	3.8
543.46912	0.3
565.28168	0.5
580.53589	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	565.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47988	0.8
59.01091	1.9
59.01382	30.1
60.89768	0.9
61.98829	11.1
68.64066	0.9
70.64579	3.1
71.01379	4.1
72.99299	1.8
73.02951	3.1
80.05064	8.5
85.02969	1.2
92.05056	1.0
94.06613	1.8
101.02422	1.4
106.06650	1.7
107.03754	3.0
113.02443	1.3
117.03470	35.0
118.03767	1.1
119.05040	15.8
122.05293	1.7
122.06130	20.6
123.04520	1.3
124.07670	1.7
125.02423	1.2
126.90533	6.2
131.05055	1.2
132.04547	1.2
132.05849	1.3
133.02937	2.7
133.05284	1.2
133.06596	2.6
134.06120	25.0
135.04510	4.1
135.06444	1.0
139.02748	1.3
143.04979	2.7
145.02956	100.0
146.03247	3.3
148.85014	0.9
152.01036	1.2
152.05980	1.5
152.07178	25.4
159.04431	1.5
161.02444	6.9
161.06068	7.5
163.04008	16.0
174.05542	3.1
177.05580	2.4
179.03474	2.1
187.02490	1.6
187.04027	23.5
188.04234	1.4
196.02443	0.8
205.05046	9.2
217.05038	1.9
223.08713	2.1
235.06081	1.8
235.08559	1.9
236.09464	1.2
239.11916	5.9
245.12897	4.3
265.13535	1.4
277.09802	2.3
293.12949	28.4
294.13507	1.4
300.11646	1.3
307.08133	4.5
313.11935	3.4
314.12732	1.2
325.11847	2.0
327.10083	2.3
328.10974	6.6
328.14368	1.8
329.11307	2.3
341.11642	1.3
342.12369	8.7
343.13220	8.3
356.14001	1.2
357.14838	12.5
358.15607	60.8
359.15948	5.4
366.12662	1.1
367.10272	4.3
370.15784	1.5
382.15692	2.2
384.13257	1.5
399.15829	1.2
400.16644	16.8
401.16891	1.5
412.16495	6.6
457.29404	1.2
471.31097	2.9
490.20496	2.2
505.22479	24.2
506.22720	4.2
521.23993	14.0
522.24615	1.7
523.23517	2.2
537.25366	2.0
565.24506	66.1
566.24933	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	565.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96143	0.3
57.03452	1.0
59.01382	13.2
61.98832	2.2
66.78326	0.4
67.11545	0.4
69.03452	0.5
71.01385	5.4
71.31665	0.4
73.02926	2.4
80.35267	0.5
81.03484	1.4
83.01398	1.4
83.05008	0.6
85.02946	4.5
87.00870	1.1
89.02463	0.6
93.03471	1.3
95.01398	2.0
97.02950	0.6
97.42868	0.4
98.77932	0.4
99.00886	0.8
101.02454	3.2
107.05045	0.7
108.02175	58.2
109.02961	35.3
110.03294	0.9
113.02464	2.9
121.02946	1.1
123.00890	1.0
123.04544	1.1
123.33838	0.5
123.34919	0.5
133.02972	0.6
134.06125	1.2
135.04567	2.0
137.02388	0.8
151.03979	1.7
152.01155	65.6
153.01941	25.8
154.02255	0.6
159.03052	0.5
161.02489	1.2
161.04601	0.9
161.09729	2.1
161.13377	0.7
163.04001	1.7
163.11215	0.7
165.01938	1.3
179.03491	0.5
187.11269	2.1
189.09201	1.8
205.12367	3.0
207.10286	1.2
216.28839	0.4
223.13370	0.4
249.11449	0.9
309.12799	0.4
315.07205	26.0
316.07602	1.3
361.29346	0.5
370.12613	0.4
432.04343	0.5
503.19424	3.4
504.19452	0.5
505.17081	4.7
505.33655	6.1
506.23169	0.8
521.20123	5.9
522.21027	0.9
523.34735	1.4
529.26764	0.7
534.17773	0.5
547.18097	2.2
565.19208	100.0
566.19495	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	565.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45110	1.0
52.12377	0.8
55.01877	1.5
55.14281	0.8
57.03468	1.1
58.00595	4.7
59.01383	100.0
69.54120	6.9
71.01386	62.9
72.99306	6.6
73.02940	2.8
74.02487	1.5
83.01397	1.9
85.02953	9.8
86.00104	1.0
86.77000	0.9
87.00874	7.0
89.02448	85.6
91.02922	1.0
93.03462	1.1
95.01408	4.3
97.02920	0.8
97.97166	0.9
101.02448	33.0
108.02150	1.3
109.02949	1.9
113.02448	24.1
119.03503	32.7
121.02956	2.2
122.03760	2.0
123.00900	1.2
123.04540	1.7
125.02453	1.2
131.03523	3.8
135.04507	2.2
136.01668	4.0
137.02444	2.2
138.03250	1.8
139.00365	1.3
139.04016	2.3
143.03484	5.2
145.02934	1.3
146.03746	1.7
147.04543	1.2
149.04568	1.8
151.00372	5.3
151.03995	7.1
153.01950	1.8
153.05551	1.0
159.04509	2.0
160.05302	4.2
161.02455	2.2
161.04559	6.5
161.05923	1.9
162.06908	0.9
163.04066	1.1
165.05553	3.2
166.02719	8.6
166.12161	0.9
171.09572	0.9
173.06030	1.0
175.04065	1.4
175.07675	2.5
178.02713	1.0
179.05644	14.0
179.07124	1.9
181.05093	11.8
186.03134	1.5
187.03996	1.8
188.04767	3.7
191.03629	1.0
196.05318	1.8
201.05505	1.2
203.03513	4.4
203.07135	2.1
209.06082	1.0
211.06102	4.5
214.56421	0.9
217.05147	2.1
218.05801	1.6
224.04858	2.7
233.08171	2.1
236.04591	1.5
237.05603	1.2
238.06227	1.1
239.07129	2.0
241.07152	1.0
247.03993	1.4
248.04758	2.0
249.05408	1.1
249.07677	1.4
251.03542	1.2
251.07123	2.4
252.04208	5.2
253.08807	1.1
264.04291	7.5
265.04962	3.7
267.06592	6.6
278.05887	0.9
279.06589	8.8
280.03741	5.9
280.07336	5.0
281.04596	1.2
281.08170	1.3
282.05319	1.1
282.08914	1.7
284.06815	1.2
291.06763	2.4
292.07492	1.3
293.04791	1.3
293.08035	1.3
294.05435	2.6
294.08939	14.7
295.06110	14.2
295.09589	4.6
296.06552	2.4
299.09201	1.5
306.08942	1.8
307.06128	3.4
307.09424	1.4
309.07617	6.4
310.08441	19.2
311.09152	3.7
321.07599	2.3
322.08255	2.6
324.09958	4.1
325.07242	2.7
325.10773	29.3
326.11295	4.3
336.09958	1.4
337.07443	1.0
337.10831	5.0
339.08780	2.4
340.09515	3.1
346.14227	1.4
355.11816	15.2
361.16522	8.1
367.12045	2.5
373.13022	3.2
385.12933	83.8
386.13403	7.8
403.13934	4.9
404.14474	1.1
447.17068	1.0
487.30688	4.6
505.20828	15.8
506.21335	1.5
521.26868	2.1
523.15045	1.0
523.21735	6.1
565.19489	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	565.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72100	0.6
57.03456	1.3
59.01380	9.0
69.03477	0.5
69.86313	3.3
71.01385	4.2
73.02965	1.5
81.03452	1.4
83.01422	0.8
83.05090	0.6
83.38053	0.5
85.02931	4.1
87.00907	0.9
93.03471	0.8
95.01400	2.7
98.20602	0.9
99.00864	0.8
101.02447	2.2
107.05048	1.6
108.02173	66.2
109.02962	38.1
110.03304	0.9
113.02440	2.4
120.05790	0.6
121.02925	1.0
123.00896	1.1
123.04506	1.2
133.02925	0.9
135.00864	0.7
135.04521	1.5
151.04054	1.2
152.01149	76.2
153.01945	27.9
153.02884	0.4
154.02242	0.7
161.02335	0.8
161.04544	0.9
161.09712	2.7
161.13313	1.0
163.03954	1.5
163.11378	0.8
165.01958	1.6
187.11258	3.2
189.09207	1.7
205.12415	1.1
207.10284	1.0
237.54594	0.6
249.11757	0.6
294.00269	0.6
315.07202	28.2
316.07614	1.8
388.16840	0.6
503.19257	2.8
505.17224	3.3
505.33563	1.7
506.17816	0.7
521.20367	3.8
547.18286	1.8
565.19208	100.0
566.19592	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	565.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66169	0.4
53.71973	0.4
57.03448	1.0
59.01384	26.4
60.01729	0.8
61.98845	2.8
65.11085	0.4
69.03456	0.4
69.92944	2.1
69.98643	0.4
71.01386	4.7
72.99323	0.8
73.02950	1.7
81.03457	0.7
83.01397	2.5
83.05052	0.7
85.02966	2.0
87.00903	1.1
87.10777	0.4
88.98800	1.0
89.02452	1.6
91.01901	0.5
95.01376	0.5
98.19782	0.5
101.02451	2.9
106.06670	0.7
107.05041	0.6
108.02170	4.3
109.02959	80.2
110.03309	1.5
113.02460	2.9
119.05038	0.8
121.06593	0.5
123.04512	1.3
125.02461	0.8
133.02969	1.4
134.06136	3.2
135.04543	5.7
135.06410	1.2
137.02512	1.2
137.09779	0.6
143.03476	1.0
145.02885	0.6
146.03790	0.7
148.49101	0.4
152.01149	0.7
153.01942	100.0
154.02335	3.0
161.02457	3.8
161.04562	0.9
161.09711	1.3
161.13432	0.9
163.03911	0.6
163.11125	0.4
164.04767	0.7
165.02055	0.6
177.09042	0.5
179.03539	2.0
179.07201	1.1
185.13205	0.4
187.11270	1.9
189.09248	1.7
197.04570	1.1
205.12361	1.4
207.10242	1.6
220.58543	0.5
223.13287	2.5
231.10301	1.9
249.11310	1.5
252.08623	0.4
253.09857	0.6
267.07230	0.9
267.12424	1.3
273.11429	0.6
278.06934	0.6
279.07608	0.9
280.08511	0.6
281.09338	3.9
282.09555	4.3
291.12387	0.7
293.09341	1.4
294.09705	2.7
297.22305	0.5
315.07281	2.0
315.12476	0.8
333.13425	1.3
351.14612	0.7
361.29639	2.2
387.16528	0.5
401.17261	0.5
403.24863	0.6
411.16617	9.5
429.16400	2.2
460.18958	0.7
461.19116	1.3
488.18546	0.8
489.18576	7.9
504.32758	0.9
505.18115	0.8
505.33801	10.2
506.33615	0.5
521.27087	2.8
523.34802	3.4
533.17719	3.3
565.19470	14.2
566.20123	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	565.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	41.8
59.75195	0.2
60.01720	0.3
60.97576	0.2
61.98843	0.5
62.57373	0.1
65.08478	0.2
66.40563	0.1
68.34940	0.2
68.99831	0.2
71.01385	0.4
71.11947	0.3
72.99333	0.2
73.02951	0.3
78.70166	0.2
78.95904	1.4
80.05057	0.4
93.03498	0.2
94.06639	0.6
96.96979	0.4
101.02492	0.2
106.06631	7.5
107.03799	0.5
107.07003	0.2
108.04575	0.7
109.02988	0.3
117.03476	1.2
119.05048	0.7
122.06128	4.4
123.04524	0.2
130.06628	0.4
133.03017	0.4
134.06123	44.9
135.04564	1.2
135.06487	1.3
143.05080	0.2
145.02977	3.1
146.06128	0.4
148.07689	0.4
149.06070	0.2
152.07187	3.3
153.01949	0.3
158.06149	0.9
159.06894	0.4
160.07753	0.6
161.02454	1.3
161.04553	0.2
163.03992	1.1
167.07283	0.2
170.06169	0.2
170.09776	0.4
172.07671	0.3
173.08385	0.2
175.03996	0.3
179.03502	0.6
179.07327	0.3
182.06166	0.3
182.09805	0.2
184.07681	0.4
186.05574	0.3
187.04079	0.5
188.07111	0.2
192.08267	0.2
194.06522	0.2
194.08211	1.1
194.09799	1.4
195.06883	0.8
196.07668	1.0
196.11263	0.2
197.04668	0.5
198.05644	0.4
198.09290	0.5
199.13533	0.2
203.05949	0.2
206.09729	0.4
207.06967	0.3
208.07645	0.9
209.02838	0.4
209.04704	0.4
209.08426	0.4
210.05769	0.3
210.09216	2.0
211.06361	0.5
211.09805	0.2
212.07202	0.5
214.05194	0.2
214.08676	0.6
215.05769	0.3
216.06711	0.4
220.07736	0.2
220.11388	0.6
221.08444	0.5
222.05563	0.5
222.09213	2.3
223.06384	5.3
223.09764	0.3
224.07108	1.3
224.10825	0.7
225.04257	0.2
225.07945	0.2
225.68149	0.2
226.05089	0.3
226.08716	0.9
227.05693	0.2
227.09464	0.2
230.08255	0.2
234.05525	0.3
234.09219	0.3
235.06349	1.0
236.07162	1.7
236.10844	0.8
237.07890	0.8
238.05045	0.3
238.08727	7.4
239.05870	1.0
239.09131	0.4
240.06689	0.6
240.10278	0.4
242.08141	0.2
248.07190	0.7
249.04256	0.3
249.07974	1.8
250.04971	0.3
250.08723	3.6
251.05803	0.8
251.09496	0.4
252.06570	1.1
252.10510	0.4
253.07410	0.7
254.04652	0.3
254.05107	0.3
254.08185	2.8
255.08968	0.6
256.09738	0.5
258.11389	0.4
262.08746	0.5
263.09503	0.2
264.06677	2.2
264.10284	2.1
265.07263	0.5
265.10086	0.2
266.04593	0.7
266.08206	2.2
267.05286	1.4
267.08649	0.8
268.06287	0.2
268.06854	0.2
268.09747	2.0
270.11349	10.3
271.11716	0.6
272.09369	0.2
275.05798	0.3
276.06708	0.4
276.10098	0.2
277.09991	0.4
279.05426	0.9
280.06610	0.8
280.09775	0.7
281.10391	0.2
282.07739	8.1
282.11356	3.8
283.08133	0.6
283.12000	0.7
285.06293	0.2
286.11026	0.2
290.08237	0.7
293.06964	0.2
293.12970	0.4
294.07712	4.1
294.10666	0.2
295.08307	1.0
296.09360	0.7
296.12939	3.3
297.13574	0.4
299.08292	0.2
299.11896	0.6
300.12549	0.2
308.09277	1.9
311.04858	0.2
311.08167	0.3
312.08698	0.5
312.12231	0.2
313.09763	0.6
313.13495	0.4
313.17142	0.8
314.10342	5.2
314.13956	0.4
315.10904	0.6
315.14996	0.7
317.13147	0.2
317.16638	0.5
321.08893	0.4
322.10794	0.6
325.09912	0.3
325.13721	0.3
326.10379	2.8
326.13840	0.3
327.11301	2.6
327.14911	0.3
328.12076	0.8
329.12970	0.7
329.16464	0.8
335.10492	0.3
336.11157	0.7
338.10565	0.2
339.11346	0.2
339.15387	0.2
340.08386	0.4
340.11942	1.5
341.09338	0.3
341.12845	1.3
341.16641	2.7
342.13504	1.4
342.17178	0.2
343.14487	1.3
345.12305	0.4
355.10825	1.2
356.11554	0.5
357.08752	0.4
357.12433	0.3
357.16156	3.9
358.09280	0.7
358.16647	0.7
359.10086	0.4
359.13986	0.4
369.12485	1.0
370.13147	1.7
371.10031	0.3
371.14066	0.3
373.15729	0.4
383.14096	0.5
385.15631	4.9
386.16168	0.4
387.13501	0.5
388.13846	0.3
389.14526	0.3
389.18839	2.9
390.19055	0.3
396.12906	0.2
401.14908	1.9
402.15808	0.6
403.16873	0.3
411.13635	0.2
414.12390	0.3
417.18204	23.9
418.18744	2.2
429.14496	2.2
433.17920	1.1
435.19003	0.7
443.16107	0.4
445.17563	0.6
445.23315	0.2
449.20700	0.8
459.15512	0.5
461.17197	7.9
462.17538	0.9
477.20389	16.5
478.20770	1.9
479.18259	0.3
487.14899	0.8
489.16736	1.5
490.17480	0.4
493.19949	0.4
505.16168	5.1
505.33453	0.6
506.16620	0.6
521.19257	13.1
522.19458	1.8
533.15930	0.7
537.18665	1.5
547.17242	3.4
548.17499	0.4
565.18243	100.0
566.18561	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	565.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	47.7
61.98823	1.3
67.28667	0.4
70.74935	0.5
71.01382	1.8
72.99297	0.9
73.02933	0.7
79.34504	0.4
83.25420	0.5
85.02952	0.7
94.06620	1.3
101.02436	1.3
106.06622	8.7
108.02190	0.7
108.04539	0.9
109.02922	2.2
113.02477	1.2
117.03440	0.5
122.06126	7.9
123.04510	0.5
123.60696	0.5
130.06639	0.6
132.02124	0.5
134.06120	67.9
135.04529	2.0
135.06451	1.7
137.02435	1.0
145.02943	1.9
148.07582	0.8
152.01108	0.6
152.07162	1.6
153.01942	4.7
158.06120	1.3
159.03012	0.6
160.07678	1.0
161.02461	3.3
161.04637	0.7
163.04005	0.8
179.03490	1.4
182.09752	0.6
194.08174	1.3
194.09750	2.4
195.06900	1.4
196.07715	1.5
197.04648	0.7
198.05608	0.7
198.09209	1.4
206.09700	0.7
208.07664	2.0
209.08289	0.5
210.09268	2.9
211.06346	1.3
212.07166	0.6
216.06679	0.8
220.11250	0.7
221.08438	1.0
222.05803	0.5
222.09270	3.4
223.06393	8.8
223.09933	0.9
224.07085	1.9
224.10716	0.7
226.08733	1.6
235.06367	1.8
236.07219	2.5
236.10895	1.1
237.07922	0.6
238.04944	0.5
238.08743	8.2
239.05780	0.7
248.07007	0.5
249.08037	3.0
250.08714	5.6
251.09462	1.0
253.07370	0.8
254.08191	3.3
256.09818	1.0
258.11288	0.6
263.09393	0.7
264.06467	0.9
264.10309	1.8
266.04883	0.7
266.08270	1.2
267.05466	1.1
267.08936	1.0
268.09808	1.7
270.11334	14.9
271.11603	1.2
275.08133	0.5
280.10178	0.6
282.07706	10.7
282.11328	8.5
283.08072	0.6
283.12003	1.2
294.07767	2.0
296.12854	5.2
299.11923	0.6
301.09836	0.5
301.13831	0.6
308.09283	1.1
313.09979	0.6
313.13492	0.7
313.17020	1.3
314.10342	1.7
315.11456	1.1
315.15057	1.6
326.10452	0.7
327.11325	4.1
328.11987	1.4
329.12833	1.3
329.16562	1.3
341.12860	2.0
341.16608	2.9
342.13712	2.1
343.14468	2.1
355.10800	1.9
356.11441	1.1
357.12222	0.9
357.16095	5.7
358.16382	1.1
359.13889	0.8
369.12543	0.8
370.13190	1.4
376.98907	0.5
385.15549	5.3
386.16196	0.5
387.13419	0.8
389.15189	0.5
389.18875	4.3
401.14917	0.9
417.18185	100.0
418.18546	10.6
429.14526	1.3
435.19318	1.7
461.17197	8.2
461.30914	0.5
462.17355	1.4
477.20319	72.5
478.20593	6.9
489.16678	7.4
490.17953	0.6
505.16028	0.8
505.33591	4.4
521.19293	19.8
522.19598	2.2
523.34717	0.9
531.64905	0.5
533.15460	1.0
565.17938	11.1
566.18469	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	564.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37244	0.6
57.03442	0.9
59.01379	26.8
60.50293	0.6
61.98833	100.0
67.74120	0.6
71.01384	4.1
71.64508	1.1
72.99319	1.9
73.02959	1.7
78.95922	1.1
83.01402	1.1
85.02972	2.5
87.00886	1.0
88.12035	0.6
89.02451	1.6
93.03456	1.0
95.01414	0.8
95.05057	0.6
97.06614	1.1
99.00883	0.8
101.02447	3.0
106.06617	1.5
108.02211	1.3
109.02961	5.1
113.02475	3.0
117.03468	1.7
119.03501	0.8
119.05027	3.7
122.06156	0.8
123.04549	2.6
133.02988	2.6
134.06133	5.8
134.39655	0.6
135.04530	6.0
135.88792	0.6
143.05028	1.3
145.02986	4.2
146.03299	0.9
151.03984	0.7
152.01180	1.1
153.01952	8.4
153.05615	2.4
161.02473	5.7
161.04582	1.0
162.02805	0.7
163.03993	7.0
179.03555	2.3
187.03978	3.1
188.04422	0.6
197.04587	1.5
251.08340	0.8
265.06241	0.9
265.09891	0.7
266.07126	0.8
281.09320	7.4
293.09341	4.4
307.10913	1.1
313.12445	0.7
359.27942	1.3
398.37396	0.6
400.16818	0.7
417.18582	1.8
428.16464	1.7
457.14941	1.2
460.19028	1.0
477.20419	1.3
488.18466	9.0
503.32156	3.8
504.32751	1.3
505.33530	1.2
520.21179	1.2
521.19904	1.8
521.33740	1.3
532.17657	3.0
564.19708	6.8
564.33496	1.1
565.22668	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	565.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39894	2.8
57.03449	3.3
59.01090	5.0
59.01380	100.0
61.98828	22.0
64.23052	3.0
68.99805	3.9
71.01376	18.3
71.32103	2.9
71.63413	2.9
72.99311	12.6
73.02945	7.2
75.00874	56.1
75.01290	5.7
78.95919	3.2
83.77757	3.3
85.02952	12.3
87.00876	5.1
89.02447	8.8
93.03421	4.8
100.99542	2.6
101.02434	12.3
108.02164	8.7
109.02946	11.1
113.02445	7.3
117.03471	24.6
119.05024	59.0
121.02989	3.1
123.04548	4.9
123.67597	2.5
133.02937	12.8
134.03819	3.3
134.06140	4.3
135.04529	58.9
137.02411	4.8
143.05032	20.7
145.02960	69.6
146.03313	8.9
147.04507	5.6
149.02486	3.5
150.03220	4.0
152.01143	10.1
152.07227	3.9
153.01932	8.6
161.02446	44.9
163.04013	94.8
174.03188	3.1
175.04004	10.1
179.03500	39.2
187.04008	50.0
191.01775	5.9
197.04527	11.5
209.00945	4.2
209.02766	45.2
235.00624	11.2
235.18971	2.9
253.01797	29.4
311.05640	12.8
358.15613	8.1
361.29532	4.3
417.15753	6.0
461.31241	3.7
477.17578	13.2
479.15729	3.7
489.18246	5.4
505.33743	32.1
521.22845	6.9
523.35333	6.8
565.23688	21.3
565.36066	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	563.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82672	0.3
59.01380	100.0
60.01715	0.6
61.98843	0.5
71.48165	0.6
77.19922	0.3
86.24752	0.3
107.11308	0.3
133.96945	0.3
135.20119	0.3
182.20483	0.3
237.67451	0.3
398.97070	0.3
405.31693	0.4
423.32785	1.1
441.33813	2.1
455.31662	0.8
459.34833	3.7
460.34952	0.4
467.30902	0.4
485.32687	1.5
503.34000	1.1
563.35931	10.0
564.36224	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	563.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.6
61.98831	25.8
63.96237	1.3
67.09706	1.0
67.10590	1.0
71.01366	6.9
71.65892	1.0
71.66293	1.3
72.99255	1.0
75.00872	15.2
75.44253	1.2
76.82001	1.0
78.95887	1.9
78.98592	5.4
79.95744	9.8
80.96518	61.8
84.61897	1.1
85.02948	4.3
87.00871	2.9
94.98089	12.9
96.96024	1.3
97.02972	1.3
101.02454	2.8
103.18459	1.1
106.98079	4.2
121.02949	18.5
122.97564	4.3
125.02438	4.2
133.02968	1.4
133.84183	1.4
134.97571	4.9
136.99173	1.4
148.99136	5.5
152.98634	3.8
164.98582	10.6
173.80130	1.1
179.03494	13.7
206.99835	1.7
225.00706	13.3
263.20313	1.3
265.21689	2.0
277.02545	1.1
277.21872	1.2
287.14029	1.2
294.58264	1.4
299.04355	3.8
392.74948	1.2
487.34247	3.9
563.25342	100.0
564.25635	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	563.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03445	3.4
58.00592	0.9
59.01380	100.0
60.01702	0.8
68.99825	0.3
69.03453	1.1
71.01383	28.5
71.05033	0.3
72.01740	0.2
72.99308	1.8
73.02950	6.0
73.60445	0.3
75.00887	0.5
81.03468	0.4
83.01385	3.6
84.02186	0.3
85.02952	12.8
86.00102	0.6
87.00880	1.9
89.02444	9.6
93.03475	0.5
95.01392	3.5
96.01785	0.2
97.02957	1.3
97.06599	0.5
97.67519	0.2
99.00893	2.4
101.02444	12.5
106.06656	1.5
108.02193	0.4
109.02949	0.5
111.00872	0.9
111.08163	0.5
112.01656	0.6
113.02451	15.6
113.09775	0.4
114.02795	0.4
115.04011	0.4
119.03504	2.9
119.05022	0.3
123.04523	0.4
123.08159	1.1
124.01638	0.4
125.02451	1.3
127.11287	0.6
129.02008	0.3
131.03473	0.6
134.06123	8.1
135.04514	0.5
137.02425	0.3
137.09720	1.0
139.11252	0.3
141.09172	0.7
143.03487	2.4
145.02963	0.4
149.02455	0.5
151.03966	0.6
152.01135	0.3
152.07185	0.8
153.01968	1.0
153.12849	0.5
155.10786	1.1
157.12366	0.7
159.03006	1.0
161.04561	3.1
169.12350	0.5
171.13918	0.7
177.01956	0.3
179.05650	0.7
184.70911	0.3
187.13429	1.3
194.08258	0.7
201.14973	2.1
203.12874	0.4
209.07355	0.3
217.14378	0.3
222.07841	0.5
223.06259	0.2
224.06041	0.4
225.06702	0.4
225.10283	0.3
230.15195	0.5
231.15651	0.4
235.08806	0.3
237.06696	0.5
237.10315	0.7
238.07335	0.4
249.06604	0.3
250.07416	0.4
250.98856	0.2
251.08194	1.5
252.05490	0.4
252.09065	0.4
253.09766	1.4
259.18872	0.3
263.08295	0.7
265.06213	1.8
265.09753	1.2
266.06903	2.9
267.11441	0.6
269.14087	0.6
271.23291	0.2
277.06116	0.3
277.09909	0.4
278.06885	2.0
279.07779	0.8
280.08554	1.0
281.09317	13.8
292.08444	0.6
293.09323	9.7
294.10208	0.8
297.08646	0.2
307.07684	0.4
307.10892	2.3
313.08899	0.6
313.09793	0.3
313.12222	1.5
325.11856	0.8
335.17136	0.4
338.24081	0.3
339.13507	0.5
341.26999	1.8
344.18677	0.4
357.11276	0.3
357.26373	0.4
358.15500	0.3
359.28040	10.4
360.28302	0.7
370.11749	0.5
371.12643	0.3
383.28046	0.5
387.16522	0.3
400.16910	1.4
401.29166	0.5
413.13763	0.3
428.15991	3.2
432.18964	0.3
446.16907	0.3
455.30054	0.6
460.18793	2.7
467.30161	0.4
473.31125	0.8
485.31149	0.6
488.18262	16.7
503.32254	74.4
504.17917	1.5
504.32587	7.7
519.21735	0.4
520.21039	2.3
521.33276	29.6
522.33685	3.4
532.17188	6.0
545.33173	1.6
546.18036	0.6
563.20782	0.8
563.34473	2.5
564.19849	21.4
579.03870	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	563.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03447	4.4
58.00592	2.3
59.01382	100.0
60.01687	1.0
61.98836	5.9
65.34893	0.7
66.55666	0.7
68.44093	0.8
69.03475	1.7
69.53851	4.3
71.01384	48.3
72.99316	3.7
73.02951	35.6
74.02469	1.5
75.00874	1.3
81.03454	1.3
83.01395	10.8
83.05030	2.0
85.02950	11.4
87.00861	6.3
88.98811	0.9
89.02451	27.1
95.01377	4.0
95.05008	1.5
97.02983	1.1
97.06606	1.9
98.79163	0.7
99.00899	1.8
101.02448	45.9
107.05013	5.0
108.02181	2.8
109.02988	5.0
109.06630	1.3
113.02454	26.9
116.92885	1.3
119.03504	9.2
119.04942	0.8
120.05795	2.5
121.02959	3.6
122.03770	1.2
123.04517	3.4
123.98804	0.7
124.01600	1.0
125.02457	1.6
131.03510	3.7
131.05049	0.9
134.03723	2.2
135.04532	55.0
135.08150	1.1
136.04840	1.9
137.02443	1.3
137.11394	0.8
143.03487	4.8
145.02937	1.7
146.03720	3.0
147.04506	1.6
147.08179	0.7
149.04570	2.8
149.06013	1.0
151.04048	1.2
151.06137	8.9
153.01952	1.1
155.03473	1.2
159.04494	3.4
159.08199	1.3
160.05295	7.9
161.02534	3.6
161.04558	8.7
161.06065	4.4
161.09717	9.2
161.13422	1.8
163.04083	1.2
163.11302	2.7
164.04800	1.8
172.05302	4.1
173.06065	2.7
175.07625	4.2
177.05573	1.2
177.09207	2.3
179.03520	9.2
179.05602	5.2
179.07153	5.4
185.55632	0.7
187.07693	2.2
187.11266	12.7
188.04872	1.0
189.05598	10.0
189.09186	7.9
190.06325	8.8
193.12093	0.8
197.04625	0.9
203.07140	1.8
203.10817	1.5
205.08704	9.0
205.12344	7.1
207.10295	5.3
219.54088	0.7
221.08372	1.0
223.13373	2.0
237.05745	0.8
239.09163	1.8
241.05098	0.9
245.08240	1.4
249.11278	6.2
267.12357	2.0
281.08139	1.4
295.10077	2.2
296.07553	0.8
296.10434	4.5
297.09921	3.5
311.12704	6.6
313.11423	10.6
326.11533	1.4
329.10431	1.6
329.14084	1.9
341.13931	42.7
342.14096	4.1
401.11261	1.3
401.16052	7.7
402.16412	1.2
503.19257	11.0
504.19382	1.4
519.18622	8.9
519.25140	1.1
520.19580	1.5
520.27893	1.3
521.20264	2.7
527.25153	4.8
545.22510	1.3
563.23413	87.6
564.23639	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	563.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87053	0.5
57.03453	3.5
59.01382	32.7
61.98819	2.5
63.18654	0.5
66.65142	0.6
71.01385	17.5
71.05009	0.6
71.65191	0.6
72.99297	2.7
73.02936	2.6
75.00847	0.8
79.05518	0.7
81.65417	0.6
81.83364	0.5
83.01385	1.6
83.05026	1.8
85.02959	3.5
87.00880	4.7
88.98798	0.8
89.02447	20.2
93.03482	0.7
95.01392	0.7
95.05035	1.3
97.02964	0.7
97.06594	1.7
99.04461	0.7
101.02444	11.4
102.49588	0.5
106.04251	0.5
107.05039	4.6
109.02932	1.5
113.02451	6.1
117.03492	0.8
119.03506	8.0
119.05009	3.6
119.99439	0.6
120.05800	1.3
121.06641	0.6
122.03710	0.8
123.04495	2.4
133.02927	1.9
133.05038	1.1
135.04535	10.5
135.08119	1.1
136.04826	0.9
137.02441	0.7
143.03444	0.8
145.02945	1.8
149.04533	0.8
151.04062	1.0
151.06113	9.3
152.04561	0.6
157.06595	1.2
161.02428	5.6
161.04549	2.3
161.09720	10.9
161.13356	4.1
163.04051	7.1
163.07642	0.7
163.11282	3.8
179.03522	3.3
179.05652	4.1
179.10727	0.8
184.46692	0.6
187.11281	11.9
189.05527	0.7
189.09206	7.9
197.04510	1.6
203.10817	1.3
205.12352	7.4
207.10248	5.8
223.13295	1.7
229.12224	0.7
231.10292	0.8
244.50812	0.5
249.11299	8.8
267.12436	2.2
295.10300	1.8
296.06827	0.7
297.07574	0.7
298.08398	0.7
311.09219	0.7
313.11371	13.6
314.11520	0.8
357.09750	1.2
359.14908	0.9
383.07605	1.4
401.10519	0.8
503.12436	0.9
503.19135	2.2
521.12842	0.9
521.20374	0.7
545.22418	1.6
563.23389	100.0
564.23859	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	563.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62098	1.1
55.01882	2.0
57.03440	3.8
57.97320	1.0
58.00577	1.8
59.01385	100.0
61.98830	5.7
64.03883	1.2
71.01388	45.4
71.05042	1.3
72.99319	2.8
73.02953	32.9
74.02489	1.4
81.03445	1.3
83.01385	11.8
83.05021	3.2
85.02966	11.4
87.00890	5.7
88.98783	1.2
89.02451	25.7
95.01383	3.4
95.05033	2.4
97.06595	1.3
98.19850	3.3
99.00867	2.0
101.02448	42.4
107.05032	5.6
108.02145	1.2
109.02940	6.2
113.02464	23.0
116.67204	1.3
119.03516	9.1
120.05850	1.9
121.02972	3.0
122.03744	1.8
123.04546	3.9
125.02482	1.6
131.03493	4.1
133.02966	1.7
133.58055	1.2
134.03764	1.6
135.04539	61.4
135.08099	1.5
136.04817	1.7
137.02440	2.3
143.03528	4.8
145.02988	1.7
146.03714	2.5
149.04550	3.9
151.04013	2.0
151.06140	8.2
159.04517	2.9
160.05331	7.1
161.02437	4.1
161.04556	10.2
161.06036	3.0
161.09750	9.5
161.13367	3.4
163.04056	1.7
163.11293	2.0
164.04750	3.9
172.05313	4.6
173.06023	1.7
175.07622	3.5
177.09158	1.9
179.03513	10.0
179.05582	3.9
179.07152	4.4
187.11292	10.7
189.05566	6.8
189.09241	3.5
190.06363	9.1
203.07132	2.4
205.08771	8.0
205.12341	5.5
207.10278	4.5
223.13441	1.9
239.09341	1.9
249.11363	5.2
267.12296	1.5
281.08237	1.9
283.80588	1.2
295.10202	1.7
296.10468	4.8
297.10300	3.1
311.12784	5.1
313.11450	9.7
326.11612	3.6
329.10303	1.3
341.13953	36.6
342.14499	1.8
401.16068	8.3
456.69147	1.3
503.18951	7.7
519.18738	9.0
519.25385	2.0
521.20435	2.8
527.24805	4.5
563.23401	82.1
564.23804	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	563.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44822	0.8
57.03443	1.6
59.01383	88.5
61.98836	5.8
66.95316	0.9
69.03435	0.9
69.29110	4.4
69.29531	3.1
71.01385	21.8
72.99295	2.6
73.02952	4.7
75.00858	0.8
78.95876	0.9
83.01367	2.5
83.05058	0.8
85.02946	8.8
85.13723	0.8
86.26178	0.8
87.00871	1.8
87.79913	0.8
89.02450	11.8
91.84377	0.7
93.03432	1.8
95.01363	2.3
95.04965	0.9
95.10519	0.7
99.00876	2.0
101.02436	13.0
107.05009	3.2
108.02180	4.2
109.02940	6.0
111.00883	0.9
113.02452	12.0
117.03465	1.8
119.03490	4.1
119.04984	1.7
121.02963	1.1
123.04522	1.4
125.02409	1.8
131.03526	0.9
132.02164	9.6
133.02960	8.1
134.03746	19.1
134.06067	1.7
135.04558	7.3
137.02423	3.7
141.01874	0.8
143.03423	1.5
145.02914	2.3
145.10275	0.8
149.02475	3.8
149.06021	2.2
151.03999	1.8
152.01215	4.7
153.01942	8.2
158.03787	0.8
159.02928	1.0
160.01662	39.5
161.02440	22.7
161.04424	4.0
162.02873	0.8
163.03958	1.5
163.11288	5.6
165.01862	0.8
167.03442	1.1
175.03999	40.0
176.04614	3.3
177.01921	1.3
179.03410	2.9
191.07130	2.6
193.05063	12.5
207.06599	1.0
207.10252	10.5
208.10480	0.9
229.17992	1.1
235.06024	4.1
237.65834	1.0
253.09416	1.5
265.07034	1.0
267.06458	1.0
281.06482	1.4
281.09250	3.0
284.51614	0.8
285.04071	1.2
293.09326	1.2
295.08267	1.7
327.21780	2.4
339.04758	0.9
341.27029	1.0
359.27863	3.6
369.15396	1.6
387.16595	100.0
388.16882	6.1
392.69205	0.8
412.03009	0.8
428.16132	1.3
432.78067	0.9
469.29700	0.9
472.88831	0.9
488.18085	3.8
489.17575	1.7
503.19736	1.1
503.32193	24.3
504.32434	1.6
508.13876	0.9
519.19141	0.9
521.33209	7.3
531.18384	1.4
532.17273	1.6
563.21265	60.1
563.34857	2.2
564.20966	8.6
579.60651	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	0.9
59.01382	16.0
61.98826	1.0
63.42545	0.6
64.39620	0.5
71.01384	1.9
72.99335	0.7
73.02952	1.7
79.55481	0.6
85.80438	0.6
87.04903	0.5
93.03450	0.9
95.76387	0.6
101.02438	1.3
108.82182	0.6
117.03469	32.5
118.03790	1.2
119.05029	15.9
133.02965	1.7
134.06122	3.0
135.04515	2.1
135.06432	0.6
137.02472	0.7
143.05045	1.9
145.02953	100.0
146.03281	5.0
149.02470	0.8
161.02431	4.8
163.04001	23.9
164.04436	0.7
187.03987	3.8
205.05070	1.3
251.11964	1.1
264.08917	1.5
265.09415	1.1
265.63995	0.6
267.06509	0.6
269.07730	0.6
277.09784	0.8
278.10468	1.6
279.11331	3.8
280.11615	3.2
290.10626	0.7
291.11343	1.4
292.11633	1.2
305.12958	0.7
311.05579	1.1
323.10245	1.3
324.11072	1.0
427.18701	2.1
430.17801	1.1
459.21304	0.9
463.95975	0.6
487.20496	0.7
519.22333	42.0
520.22632	4.5
531.19641	11.3
563.22571	4.8
563.33081	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	563.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09621	0.5
52.88200	0.5
57.03434	1.1
58.00570	0.6
59.01382	25.7
60.01709	0.6
60.18263	0.5
65.03973	0.6
69.03455	3.5
69.32392	0.5
69.77089	2.3
71.01386	10.0
72.99306	0.9
73.02942	1.6
77.18855	0.5
81.03457	6.7
83.01385	1.2
83.05029	7.8
85.02940	4.3
87.00890	2.3
88.98788	1.0
89.02444	14.8
93.03463	1.9
95.01381	0.7
95.05029	18.1
97.02940	1.3
97.06614	0.8
99.00866	1.1
99.04520	0.6
101.02431	6.3
107.05035	1.4
109.02939	2.2
109.06599	8.8
111.04498	1.2
113.02451	5.6
119.03507	4.9
119.04969	0.8
121.06574	1.1
123.04519	3.9
125.02451	1.7
127.03948	0.8
131.05051	0.8
135.04536	0.9
135.08162	6.1
141.01872	0.6
141.05551	1.5
143.03450	0.8
155.61778	0.6
157.06575	0.9
159.08167	3.0
161.04543	3.1
161.06093	1.5
175.07657	3.2
177.09210	36.3
178.09512	1.8
179.05643	10.5
179.07153	1.5
195.10278	3.5
203.07199	1.3
203.83371	0.5
221.08246	5.0
239.09233	6.8
247.25824	0.6
271.29205	0.5
341.10852	7.5
373.61444	0.5
387.16589	0.7
401.14560	1.7
545.18658	0.6
563.19800	100.0
564.20160	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	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23175	0.6
50.85938	0.6
54.07520	0.6
55.30590	0.6
59.01381	14.6
61.98833	10.3
62.81047	0.6
68.99820	0.9
69.33960	6.7
71.01375	1.3
73.66317	0.6
77.26087	0.7
80.91698	0.9
83.57149	0.7
88.00441	1.0
88.04047	1.0
89.02455	5.6
93.03442	0.8
107.56361	0.9
108.02178	2.3
109.02987	1.3
117.03468	35.5
118.03826	1.1
119.05038	10.3
121.03002	0.7
123.25225	0.7
133.02960	3.0
134.03804	0.8
135.04538	2.3
137.02444	0.7
143.05022	4.6
145.02957	100.0
146.03282	4.3
148.65024	0.7
152.01154	2.9
153.01971	0.9
161.02437	7.3
162.02919	0.9
163.04010	16.5
179.03452	1.9
187.03998	11.3
234.87560	0.7
237.85512	0.7
459.20300	2.2
477.21112	1.3
502.32660	5.1
503.32913	6.8
519.22363	31.5
520.22852	2.8
560.90179	0.7
563.25037	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12833	0.8
58.00589	1.4
59.01381	44.6
60.01682	0.7
70.37730	2.0
71.01387	8.6
83.00527	0.6
83.01392	1.1
85.02953	1.9
87.00905	0.8
89.02443	7.9
91.90097	0.5
98.19872	1.2
101.02438	7.3
113.01752	0.6
113.02433	3.5
117.03468	1.3
119.03494	2.7
132.02174	8.0
133.02953	5.7
134.03745	14.9
135.04488	2.8
145.03084	0.7
148.05296	0.7
149.06075	2.2
153.08372	0.6
160.01657	33.5
161.02437	16.9
163.11275	3.5
175.03993	36.2
176.04642	3.0
178.02661	1.1
179.03511	1.3
191.07158	3.3
193.05045	11.1
207.06656	1.0
207.10237	9.9
235.06107	4.5
283.20966	0.6
295.08176	1.2
369.15472	1.3
387.16574	100.0
388.17032	5.9
489.17520	0.9
531.18628	1.9
563.21295	48.7
564.21771	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	563.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.5
59.01379	81.9
61.98828	1.3
69.03452	2.8
70.75762	3.0
70.76099	2.5
71.01382	21.8
72.99308	1.9
73.02938	4.2
75.00870	2.6
81.03457	10.0
81.49636	1.2
83.01452	1.9
83.05018	11.9
85.02486	1.5
85.02954	8.1
87.00882	3.0
89.02451	23.7
93.03446	1.8
95.01395	2.5
95.05024	24.7
96.96025	1.4
97.02999	1.8
97.06569	2.1
101.02442	13.3
107.05042	1.8
109.02937	5.2
109.06586	14.3
111.04498	3.4
113.02441	14.1
119.03487	9.5
119.04973	2.9
121.06586	2.5
123.04519	7.6
125.02439	2.4
133.02873	1.6
135.02986	5.9
135.08167	11.7
141.05592	8.2
143.03479	2.9
151.11288	1.8
155.26382	1.3
159.08165	4.7
161.04575	3.2
161.05884	1.1
175.07573	4.7
175.11212	1.7
177.09206	51.3
178.09532	2.4
179.03461	2.6
179.05582	4.4
179.07156	3.4
195.08438	1.4
195.10243	29.6
195.11902	2.7
196.10478	1.6
219.10239	3.5
221.08238	11.9
235.07727	1.3
239.09245	100.0
240.09604	3.8
247.58630	1.4
263.09207	7.1
275.09198	2.4
281.10318	1.6
311.11331	5.2
327.08572	1.6
341.12485	24.3
356.45343	1.4
383.13458	5.3
401.14526	52.5
402.14780	3.5
426.72858	1.5
443.16083	2.1
563.19775	95.8
564.19891	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	563.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18529	0.5
55.01866	1.1
57.03450	1.2
59.01382	26.4
61.98824	1.1
69.03463	0.5
71.01383	14.0
71.64985	0.8
72.99316	1.0
73.02941	8.1
74.02484	4.3
79.02960	0.6
81.03466	1.0
83.01384	5.8
83.05022	1.6
85.02957	5.1
85.05374	0.5
87.00875	1.5
89.02439	5.0
93.03454	1.0
95.01385	1.7
95.05016	1.3
96.96015	0.7
97.02937	1.1
99.00859	1.4
99.05659	2.3
101.02439	10.8
107.05000	1.4
108.02159	1.4
109.02962	3.8
109.06565	1.0
111.00869	0.6
113.02448	10.2
117.03490	1.2
119.03484	1.8
120.20435	0.5
121.02956	1.8
122.03741	0.6
122.70383	0.5
123.00893	1.1
123.04498	1.6
131.03534	1.0
133.02974	1.5
134.03746	2.2
135.04527	100.0
136.04848	4.0
137.02440	1.4
138.03217	0.8
139.00410	2.2
139.04039	1.1
141.05682	0.7
141.06720	2.6
143.03590	1.0
145.02977	1.5
147.04514	1.4
149.04587	1.0
149.06084	0.7
151.03966	0.7
151.06071	1.0
153.01949	1.0
153.05566	1.4
158.03786	0.7
159.04491	1.2
160.01578	0.6
160.05328	2.2
161.02486	4.2
161.04556	2.2
161.06029	1.5
163.03984	1.2
172.05296	1.7
173.02402	1.0
173.06102	0.9
175.03986	2.0
175.07622	1.0
177.09196	3.3
179.03499	14.8
179.07007	1.0
180.03911	0.6
187.07617	0.9
187.11252	0.7
188.04723	1.3
189.05588	2.2
189.09216	0.8
190.06360	2.6
195.10242	1.0
197.04501	2.9
201.01939	1.2
203.07202	2.1
205.08693	1.9
205.12415	1.3
207.10048	0.7
215.06772	0.8
216.04358	1.1
221.08186	1.1
224.06578	0.6
239.09245	3.0
245.08250	2.1
249.05537	2.3
263.09329	0.8
281.08264	0.6
287.09210	1.6
296.10522	1.6
297.04651	0.7
297.09894	9.6
305.10428	1.0
310.04828	0.6
311.12915	2.2
313.11066	0.6
324.09924	0.7
325.07376	0.7
326.11719	1.0
339.12390	0.9
341.09869	0.9
341.13947	12.4
342.14340	0.9
353.06516	1.3
353.10394	1.1
357.09406	0.8
359.08209	0.6
368.09290	1.0
371.11386	13.4
372.11722	1.3
383.11133	4.2
385.13010	1.5
401.16278	1.3
413.12369	1.3
439.79401	0.5
503.19193	3.9
504.19772	0.7
519.18652	18.5
519.26141	1.0
520.19202	2.5
520.27661	5.2
521.20264	0.8
533.16431	1.4
563.16138	1.2
563.24133	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	563.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13184	0.3
53.19209	0.3
55.01887	0.8
57.03449	2.0
57.36807	0.3
59.01380	30.5
60.93753	0.3
61.98841	2.0
66.80926	0.3
68.99815	0.3
69.03463	1.1
71.01381	7.6
71.01741	0.4
71.63127	0.5
72.99332	0.8
73.02950	3.3
75.00873	0.6
75.63924	0.3
78.95924	0.4
81.03445	2.1
83.01396	2.1
85.02953	6.4
86.00117	0.3
87.00879	1.3
88.98846	0.4
89.02451	1.6
93.03477	0.9
95.01395	3.1
97.02969	0.8
99.00281	0.3
99.00877	1.7
101.02445	5.2
107.05040	0.8
108.01078	0.4
108.01564	0.3
108.02177	22.1
109.02960	33.6
110.03297	0.6
111.00898	2.2
112.77102	0.3
113.02455	6.1
117.03465	0.4
119.03508	0.7
119.05038	0.9
121.02970	0.5
122.06184	0.3
123.00864	1.9
123.04482	0.8
125.02454	0.9
129.01945	0.8
133.02965	0.7
134.03726	0.4
134.06122	1.2
135.00902	0.5
135.04520	2.2
137.02419	0.3
138.10173	0.3
141.01967	2.8
142.10167	0.3
143.03497	0.8
144.05829	0.3
145.02989	0.9
151.03998	0.9
152.01157	11.7
153.01938	100.0
154.02274	2.8
155.10757	0.4
159.03015	4.5
160.01660	0.5
161.02473	2.4
161.04533	1.4
163.04021	1.3
175.04034	0.4
179.03487	5.4
179.05669	0.4
201.14943	0.9
221.08228	0.4
223.13377	1.8
230.15306	0.5
230.51517	0.3
239.09296	0.6
245.08145	0.3
253.09845	0.3
267.06470	0.3
267.12524	1.6
269.13742	0.4
278.07016	0.5
281.09436	2.0
287.09213	0.4
293.09311	1.3
294.10068	0.3
295.04565	2.5
313.05719	1.0
313.09085	0.5
331.31616	0.3
341.27127	0.6
359.28046	2.3
383.13535	0.7
387.16693	0.5
401.25433	0.7
409.14954	1.3
427.15552	0.4
428.16046	0.5
455.30084	0.4
485.31061	0.4
488.18243	3.1
501.68661	0.4
503.32254	17.9
504.32422	1.8
521.26123	0.5
521.33270	6.4
522.33282	0.7
532.16949	0.7
540.65344	0.3
545.16547	0.3
550.46582	0.3
563.17523	15.6
563.30688	2.9
564.18726	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	563.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	0.6
59.01376	5.1
61.63530	0.4
61.98837	0.7
63.86817	0.4
71.01377	3.3
71.66032	0.4
71.66438	0.6
72.99310	1.8
73.02936	1.0
83.01394	0.6
85.02964	1.0
88.98806	3.1
89.02425	2.1
93.03459	1.4
96.96023	0.6
101.02435	1.8
109.02943	2.6
113.02473	1.3
117.03468	6.6
119.05027	52.0
120.05372	1.4
123.04508	5.3
125.02419	0.6
129.05446	0.4
131.03525	0.4
133.02960	1.3
134.03757	0.5
135.04527	4.1
136.04852	0.5
137.02415	1.4
145.02954	18.1
146.03658	1.3
147.04538	2.6
159.04530	1.4
161.02466	4.9
162.64401	0.4
163.04007	100.0
163.48558	0.5
164.04333	3.9
173.02567	0.6
176.04749	0.7
179.03447	1.6
188.04791	0.9
189.05562	1.3
191.07156	0.5
197.04568	1.3
203.03378	0.4
203.07072	1.3
205.04965	0.9
229.01495	0.7
267.06604	0.5
279.06570	0.5
281.04633	1.8
282.05264	0.8
283.06396	0.5
283.09671	0.9
296.06906	1.8
297.07681	2.6
298.08258	0.7
311.09055	0.8
313.10837	1.8
337.09320	0.5
339.05075	0.5
339.08871	0.5
357.09766	2.5
357.13593	1.0
359.07550	1.1
363.53146	0.5
383.07791	5.2
399.10876	1.1
439.12546	5.1
443.09869	0.6
460.93347	0.4
503.19238	1.7
519.24158	0.6
521.19769	0.8
563.17712	9.5
563.26526	1.1
564.18207	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	563.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78438	0.6
59.01385	7.0
60.23240	0.6
60.99305	0.6
61.98820	1.4
66.91952	0.5
69.03475	0.6
69.72695	1.2
69.73121	2.2
71.01379	4.1
72.99303	2.0
73.02945	1.2
85.02947	1.5
87.00902	0.6
88.98798	3.7
89.02435	1.9
93.03444	1.3
98.20638	0.6
99.00885	0.6
101.02430	1.3
109.02957	7.3
113.02454	1.0
117.03457	5.3
119.05027	53.8
120.05377	1.3
121.02980	0.7
123.04525	4.6
125.02445	1.1
133.02950	2.3
134.03674	0.6
135.04521	7.0
136.04897	0.6
137.02477	1.6
145.02953	18.8
146.03699	2.0
147.04543	4.4
149.02484	0.7
151.03998	0.6
159.04507	2.6
161.02444	12.1
162.03224	1.3
163.04007	100.0
164.04393	4.6
173.02451	1.7
174.03241	1.2
175.03935	0.9
176.04802	0.8
179.03496	2.4
187.07544	0.9
188.04720	1.9
189.05594	3.4
197.04532	2.3
203.07121	2.4
210.26984	0.6
215.03381	0.7
225.05627	0.6
229.01431	2.2
237.05527	0.6
243.99974	0.7
251.15565	0.5
253.05124	0.8
265.04926	0.9
267.06793	0.8
268.07376	0.7
275.07721	0.7
281.04599	3.5
282.05334	2.3
283.06253	1.1
283.09637	1.2
296.06845	3.4
297.07681	7.2
298.08289	1.3
311.09320	2.1
313.10788	4.9
337.09247	0.7
339.05054	1.6
339.08658	0.8
357.09793	6.8
358.10129	0.8
359.07767	1.7
359.15085	1.2
362.66699	0.7
365.08774	1.2
372.77921	0.7
383.07687	12.2
384.07968	1.4
399.10846	2.1
429.12259	0.6
439.12524	5.6
443.09769	2.3
503.18915	2.8
521.20471	1.8
563.17725	8.4
563.26904	1.8
564.17694	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	561.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78250	0.5
50.78523	0.5
57.03460	1.5
57.08250	0.6
59.01382	51.1
61.98845	2.0
69.03486	1.2
69.72589	1.4
69.72997	2.7
71.01389	5.2
72.99321	1.2
73.02970	1.7
75.00893	2.2
79.95712	0.6
83.05061	0.7
85.02940	3.9
87.00912	0.7
87.04514	1.3
89.02471	0.7
96.96018	5.1
99.00885	1.4
101.02462	1.6
106.26646	0.5
109.02940	0.7
109.06602	0.7
110.03757	2.2
111.04583	0.7
113.02457	4.7
117.03459	9.5
117.04222	0.6
119.05026	6.8
122.97690	0.6
123.04523	13.2
123.05341	0.9
133.02966	1.1
135.04556	1.0
135.39728	0.7
145.02950	31.3
146.03403	1.6
148.87761	0.6
161.02513	2.6
163.04005	10.1
163.05179	0.7
179.03557	0.8
184.70285	0.6
187.04059	0.7
214.89801	0.6
223.17039	3.7
311.22449	2.7
357.26480	1.3
389.26999	4.1
399.29022	8.2
400.29370	1.2
403.30219	0.8
415.28326	2.9
417.30161	1.3
421.31335	1.8
427.27951	4.4
429.30078	29.5
430.30389	2.9
439.32166	2.8
443.28055	11.9
444.28616	1.5
461.29083	12.0
462.29529	1.5
471.31155	8.4
472.31534	1.4
473.28922	3.1
483.31149	10.7
484.31329	1.0
489.32257	3.5
501.32230	57.0
502.32605	7.3
519.32965	2.4
561.34662	100.0
562.34985	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	561.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.2
61.35485	1.0
61.98822	2.3
71.66019	1.6
72.99316	1.9
73.02971	1.0
75.00876	100.0
87.00910	1.1
88.86211	0.9
89.02427	1.1
94.23328	1.0
105.20293	1.0
133.02969	4.1
135.04520	2.4
161.02437	9.9
168.46281	0.8
171.10384	1.1
179.03430	1.4
253.40523	1.0
279.46353	0.9
561.21759	5.6
561.36365	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	563.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66970	2.2
59.01380	46.1
61.98818	7.2
62.38545	1.9
69.03452	2.2
69.59640	2.2
69.67975	8.5
69.68384	4.3
71.01387	23.9
72.99306	25.0
73.02933	6.8
81.29485	2.5
83.01383	4.2
85.02946	8.6
87.00874	4.0
88.98808	13.2
89.02444	11.9
91.01884	3.8
95.01373	3.2
96.95988	2.2
101.02449	15.9
108.02141	3.9
109.02953	48.7
113.02448	8.5
117.03455	4.7
119.05036	36.3
121.02960	2.6
121.73737	2.0
123.00950	2.1
123.04520	16.4
125.02431	3.7
129.03429	5.7
133.02957	20.1
134.03708	3.9
135.04529	46.3
137.02434	9.6
139.03940	2.7
145.02951	23.3
146.03711	19.0
147.04524	42.7
149.02393	3.5
150.03210	6.3
151.04031	5.3
159.04503	18.8
160.05298	2.6
161.02446	100.0
161.04544	4.6
162.03110	8.3
163.02702	4.0
163.04007	61.4
165.01842	2.6
172.05223	2.2
173.02461	9.7
173.06049	3.8
174.03201	11.6
175.03966	5.6
176.04735	7.2
179.03505	25.6
181.05054	3.9
187.03922	2.1
188.04785	11.3
189.05580	23.3
189.94672	2.0
197.04515	26.6
197.06157	3.0
203.03452	4.6
203.07028	16.0
205.05064	2.9
215.03459	2.7
225.05606	2.7
228.07951	2.3
229.01469	13.0
237.05537	3.3
241.04939	2.6
243.10280	4.8
253.05054	6.8
255.06659	4.8
263.03485	3.5
265.04999	9.3
266.05682	3.4
279.06677	2.5
280.03976	2.1
280.07275	3.0
281.04498	27.2
281.07278	4.9
282.05182	15.3
283.06006	11.8
283.09317	3.7
293.04565	3.0
295.09766	3.0
296.06955	27.6
296.10315	3.6
297.07639	48.1
298.08194	12.7
299.09064	2.7
307.06152	3.0
309.04022	7.9
311.09219	18.4
312.09525	2.5
313.10822	36.5
320.30905	2.1
324.06415	7.7
326.11563	3.5
329.10370	2.6
329.13766	4.2
339.08658	8.2
344.12662	7.4
357.09775	51.1
358.10345	2.4
359.07474	15.3
359.11432	4.3
359.14856	16.3
365.08832	5.3
369.09863	2.9
381.09991	6.3
383.07684	88.9
384.08057	7.1
399.10861	14.7
400.11896	2.8
401.10941	22.1
429.11661	4.1
439.12335	2.2
443.09811	18.4
445.11349	9.7
503.12650	2.0
503.19138	42.3
504.19354	4.1
519.24213	2.5
521.20306	24.1
563.14282	6.3
563.21136	7.5
563.27667	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	561.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06913	1.1
51.03638	0.9
55.28203	0.9
59.01381	100.0
61.98839	1.9
72.73794	0.9
78.95913	1.5
79.63750	1.1
90.18665	0.9
97.06572	1.0
100.89559	1.0
109.06596	6.7
119.35415	0.9
133.02960	2.7
135.04524	3.3
145.02974	3.9
161.02426	5.1
163.04041	1.0
229.64294	1.0
267.06497	1.2
365.27161	1.0
403.30328	1.8
421.31296	14.3
422.31592	2.4
423.29034	6.3
427.32251	1.1
435.28778	1.4
437.30728	8.5
439.32022	6.2
453.30215	7.3
454.30246	1.2
457.33411	2.0
465.29947	7.6
467.27997	3.3
471.31165	4.3
481.29596	9.1
483.31180	5.7
489.34637	1.3
501.32230	40.5
502.32596	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	561.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56929	0.4
59.01381	100.0
60.01714	0.6
61.98836	1.1
71.11589	0.4
71.11932	0.6
71.80849	0.3
72.99319	1.3
78.95899	0.5
89.29750	0.4
97.44192	0.4
100.79272	0.3
133.02972	0.8
135.04538	1.0
145.02966	0.9
161.02434	2.3
179.03526	0.6
189.50150	0.4
445.29459	0.4
501.32327	0.7
561.34296	5.3
562.35083	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	561.3432
Annotation	Amphidinolide B
Peak:m/z	Relative Intensity
52.17792	0.7
52.18061	0.5
57.03453	2.4
58.00632	0.5
59.01379	59.7
61.98826	1.6
69.03480	1.2
69.48423	4.3
71.01373	6.2
72.99329	1.2
73.02950	1.4
75.00890	2.0
83.01408	0.8
83.05061	0.7
83.88487	0.6
85.02953	4.7
87.00900	1.5
87.04527	1.8
89.02456	1.1
95.01419	0.8
96.95998	5.9
101.02447	1.2
109.06633	1.3
110.03764	1.8
113.02441	4.9
114.03253	0.6
117.03465	10.4
119.05022	6.5
123.04527	14.5
123.05338	0.9
124.04872	0.8
133.02986	0.8
135.04579	1.2
145.02951	34.3
146.03339	0.8
161.02493	1.4
163.04010	9.4
179.03639	0.8
187.04018	0.8
205.15981	0.7
209.90479	0.6
223.17027	3.9
239.24658	0.7
249.06221	0.6
251.16551	0.9
267.06976	0.7
293.21436	0.8
311.22226	3.4
357.26746	1.1
389.27133	4.7
399.29019	7.9
403.30310	1.1
405.28168	1.0
411.28894	0.9
415.28409	4.2
417.30441	1.6
421.31384	2.3
427.27884	3.7
429.30051	33.5
430.30304	3.1
439.32199	3.5
443.28049	12.6
444.28915	1.5
453.30212	1.1
461.28986	14.0
462.29840	1.5
465.29834	0.9
471.31213	9.7
472.31863	1.1
473.29254	2.7
474.29626	0.7
483.31064	10.9
484.31427	1.1
487.27496	0.7
489.32098	3.6
501.32214	58.8
502.32526	6.8
519.33099	1.8
561.34692	100.0
562.35254	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	561.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	32.6
60.01727	0.6
61.98819	2.0
63.09604	0.5
69.40659	4.0
71.01385	0.6
72.99289	0.9
73.02916	0.5
78.44918	0.5
78.91883	0.8
87.00876	4.8
88.00374	1.2
88.04042	1.3
99.39361	0.5
133.02998	1.1
135.04515	2.2
145.03001	1.0
149.02420	0.9
161.02422	3.8
162.02766	0.7
169.41040	0.7
179.03421	1.2
192.21326	0.5
321.26050	0.7
332.43872	0.6
353.82751	0.6
371.27472	1.6
373.25211	0.8
389.28424	1.1
407.29568	1.5
421.00717	0.6
435.29059	1.4
446.41205	0.5
453.30118	8.5
454.30728	1.3
481.60834	0.6
501.32227	100.0
502.32605	13.9
561.28656	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	561.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	2.5
59.01381	100.0
60.99305	2.2
61.81007	1.2
61.98833	3.4
69.21074	0.9
72.99336	1.2
98.20697	2.3
113.02448	1.3
133.02974	1.5
135.04509	3.3
145.02971	2.4
161.02480	5.5
163.04033	1.1
179.03494	2.5
181.10194	1.2
241.67575	1.2
357.26529	3.9
389.28494	2.7
398.73801	1.2
403.25967	1.4
405.27927	1.6
409.31107	1.9
411.28827	1.7
419.29730	8.8
420.29749	1.3
421.27020	5.2
421.32153	9.9
423.28995	5.2
435.29132	5.7
437.30679	9.7
437.42783	1.3
439.32141	3.4
453.29974	8.8
457.33359	6.3
465.30115	7.1
467.28094	1.8
471.31198	7.7
472.31723	1.2
473.50613	1.2
481.29556	9.5
497.29083	2.1
501.24661	2.4
501.32248	41.3
502.32562	4.6
561.29498	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	561.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73603	0.4
59.01381	16.6
59.51301	0.3
61.98833	0.7
71.62517	0.5
72.99324	1.6
75.00874	100.0
76.01196	1.1
76.07574	0.3
78.95900	3.1
80.91700	0.5
135.04439	0.4
152.99577	3.6
196.89490	0.3
201.96214	0.3
217.15889	0.4
275.11938	0.6
327.44977	0.3
365.27008	0.8
395.66656	0.4
519.51202	0.4
561.30115	3.2
562.31891	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	561.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01718	0.9
61.98835	1.0
70.07917	1.9
78.95900	4.0
88.58891	0.4
89.67064	0.5
101.25171	0.4
112.48538	0.4
135.04529	0.6
152.99603	2.8
161.02463	0.7
178.98096	0.4
272.87140	0.5
273.74371	0.5
360.84433	0.5
365.27048	0.7
456.11154	0.5
501.32388	1.7
561.29510	2.3
562.31567	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	561.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
61.40525	0.6
61.98833	3.2
69.47392	5.0
72.99313	22.7
72.99719	1.3
81.03449	2.6
93.03444	1.4
95.05033	2.3
98.20572	1.1
98.42522	0.7
101.78857	0.7
105.03460	3.8
107.05008	1.3
108.02172	2.2
109.02940	2.1
121.02966	6.3
122.03752	1.8
123.00859	0.6
123.04528	33.6
124.04858	1.1
133.02962	17.6
134.03729	2.0
135.04529	9.6
137.02431	1.3
149.02460	1.2
150.03163	0.7
151.04007	73.7
152.04359	2.5
152.23573	0.6
157.62741	0.7
161.02454	4.9
177.01924	5.6
179.03479	6.6
195.02782	0.8
279.23248	4.2
282.45087	0.6
355.22849	1.5
381.20465	3.0
399.21750	100.0
400.22003	9.5
403.02002	0.6
476.27820	1.2
505.95993	0.7
561.25214	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	561.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52916	1.2
56.73317	1.2
59.01382	6.0
72.99312	18.7
78.95905	1.3
81.03442	2.4
93.03489	1.3
95.05022	1.8
99.84540	1.2
105.03442	3.6
107.05036	2.1
108.02183	1.9
109.02953	2.2
121.02966	6.8
122.03761	1.4
123.04529	31.6
133.02975	17.3
134.03760	2.1
135.04538	12.0
137.02406	1.4
149.02396	1.3
150.03209	1.3
151.04007	74.5
152.04388	1.7
161.02480	6.3
177.01917	4.6
179.03497	5.4
275.90433	1.2
333.21082	1.1
355.22833	5.2
381.21033	1.7
391.62851	1.3
399.21750	100.0
400.22202	10.0
430.17981	1.2
525.89581	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	561.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
57.35730	0.9
59.01383	46.0
61.98828	4.7
67.21750	1.1
69.60471	7.8
71.01381	12.3
72.99300	2.7
73.02946	6.5
83.01361	1.6
85.02963	5.2
87.00879	1.5
89.02457	7.4
93.03447	1.7
95.01335	1.5
99.00890	1.3
101.02444	8.6
105.03505	1.3
109.02952	3.8
113.02451	6.5
117.03481	3.3
119.03510	1.7
119.05048	1.7
132.02187	26.7
133.02945	4.6
134.03748	46.6
135.04547	9.1
137.02434	3.3
145.02983	2.8
147.04492	3.2
148.05305	2.7
149.02496	2.0
149.06067	9.5
151.04143	1.3
153.09235	1.8
158.03778	1.2
159.04442	1.0
160.01663	100.0
161.02437	7.2
162.03226	6.6
163.03954	2.5
173.06094	2.2
175.04004	89.6
176.04723	11.8
177.01929	1.9
177.05586	12.7
178.02725	4.7
179.03470	5.4
191.07143	21.1
193.05058	64.5
194.05356	2.2
197.04588	1.6
198.28278	1.2
204.48485	1.1
205.12268	1.4
207.06589	6.0
217.05067	3.3
220.03766	2.4
235.06111	64.9
236.06421	3.5
265.07166	43.6
266.07437	1.8
295.08237	60.5
296.08624	4.6
337.09317	1.8
355.10376	12.8
356.10858	1.8
357.09717	4.0
399.07187	1.5
416.94131	1.5
483.31079	5.3
501.31598	7.2
519.31970	2.8
543.33563	5.2
561.23358	38.9
561.33685	10.5
562.23663	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	561.2337
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
59.01382	16.2
60.71108	0.1
61.98817	0.2
68.99819	0.4
71.01377	1.3
71.01704	0.1
71.04993	0.1
72.99319	0.7
73.02966	0.4
83.01414	0.3
85.02959	0.4
89.02460	0.2
89.04022	0.3
93.03467	0.3
97.02975	0.2
98.19892	0.3
99.00880	0.2
101.02470	0.9
111.00897	0.1
113.02464	0.5
117.03469	35.2
118.03767	0.7
118.74075	0.1
119.05029	13.8
120.05343	0.4
121.02962	1.7
123.04504	0.9
125.02472	0.3
133.02946	0.8
134.03770	0.4
135.04524	0.7
139.03926	0.2
143.05028	2.4
145.02956	100.0
146.03279	3.2
147.04538	0.3
157.65347	0.2
161.02481	1.3
161.06084	0.5
162.03271	1.3
163.04015	19.4
164.04370	0.4
168.75319	0.1
173.02451	0.3
179.03494	0.3
187.04012	4.4
187.05708	0.2
193.05067	0.2
197.04538	0.2
201.01936	0.6
227.07164	0.3
267.06610	0.2
271.06064	0.3
299.16415	0.4
399.07013	0.7
407.09787	0.3
441.19034	0.4
459.20123	0.2
501.21262	4.0
501.30905	0.3
502.21216	0.5
519.22015	1.3
519.30359	0.3
561.23206	20.1
561.32574	0.8
562.23700	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	561.234
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
55.24235	0.2
59.01382	17.1
61.98827	0.5
71.01374	1.0
72.99300	0.6
73.02962	0.8
74.99129	0.2
81.94918	0.2
83.01423	0.2
85.02957	0.6
89.02445	0.3
89.03976	0.4
93.03460	0.2
95.01392	0.2
96.96010	2.3
97.02996	0.2
101.02446	0.7
101.65867	0.2
109.02943	0.4
113.02464	0.6
114.91556	0.1
114.93442	0.3
117.03468	35.6
118.03793	1.3
119.05030	17.5
120.05388	0.6
121.02962	1.0
123.04524	0.2
124.01641	0.3
125.02496	0.4
132.02150	0.2
133.02968	0.8
134.03783	0.2
135.04564	1.1
137.77287	0.2
143.04993	0.4
145.02954	100.0
146.03287	3.2
147.04465	0.3
149.02490	0.4
150.03162	0.2
159.04451	0.2
161.02438	2.1
161.06107	0.3
162.03242	0.8
162.50812	0.2
163.04008	26.5
164.04338	1.1
171.10284	0.5
179.03513	0.6
187.03981	0.7
187.07622	0.2
197.04543	0.2
217.81985	0.2
227.07150	0.4
265.18185	0.2
267.06601	0.3
271.06158	0.3
311.05566	0.3
311.22308	0.3
339.04840	0.2
355.37692	0.2
357.26413	0.3
368.87320	0.2
405.77640	0.2
409.11209	0.2
415.19696	0.5
441.19055	0.5
453.31400	0.2
501.21176	2.0
501.31607	0.5
502.21536	0.2
517.30225	0.3
519.22156	0.5
519.32025	0.5
561.23370	19.3
561.32428	2.5
562.23517	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	561.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43372	0.6
57.03453	1.2
59.01379	13.8
67.59607	0.6
68.21677	0.7
71.01379	5.0
71.04423	1.8
72.99345	0.7
73.02952	2.1
75.00874	10.6
78.04110	0.7
85.02944	3.1
85.54443	0.7
87.00869	1.5
89.02431	3.7
93.03445	1.4
95.01392	0.7
101.02431	3.1
107.04988	1.1
108.02167	1.3
109.02914	0.8
109.66424	0.8
113.02443	2.9
115.51982	0.6
117.03493	0.7
119.03478	1.3
121.02944	5.8
122.03753	2.6
133.02910	1.0
134.03665	0.9
135.04546	1.9
136.01656	83.5
137.02219	2.0
139.19786	0.6
149.04480	1.0
149.06029	1.3
151.04002	100.0
152.04333	2.9
160.05290	1.4
161.02412	1.1
161.04556	1.0
161.09711	0.9
162.03239	1.3
163.03999	1.8
175.07558	0.8
177.01935	8.1
177.05530	1.1
187.11285	2.3
189.05562	1.1
189.09161	1.1
223.13356	2.5
253.15680	0.6
267.12335	1.7
311.09824	9.1
311.13092	1.2
342.11053	6.4
357.13400	98.1
358.13763	10.3
369.15408	1.9
429.17618	1.4
452.91162	0.7
471.18991	0.9
485.19800	1.1
561.21832	28.5
562.22607	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	561.2338
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
50.93031	0.2
59.01381	6.0
61.14994	0.2
69.54343	1.4
71.01387	1.8
72.99327	0.4
73.02954	0.8
76.38881	0.2
79.42545	0.2
85.02958	0.7
87.00887	0.3
89.02453	0.5
93.03457	0.5
95.01439	0.3
97.02927	0.3
97.06593	0.3
97.64059	0.2
99.00875	0.2
101.02444	1.0
109.02958	0.3
113.02472	0.7
117.03468	32.1
118.03830	0.9
119.05029	31.4
120.05375	0.8
121.02955	0.5
133.02960	0.6
135.04558	0.7
142.41422	0.2
143.05054	0.5
145.02954	100.0
146.03307	3.7
161.02438	0.9
163.04010	39.9
164.04355	1.7
165.12857	0.3
167.14420	0.6
179.03470	0.5
187.04018	1.0
193.12364	1.1
211.13393	3.3
229.01547	0.3
234.24516	0.2
337.16425	0.3
355.17599	1.9
356.17896	0.3
373.18585	0.9
397.18643	2.3
398.18985	0.3
415.19763	1.5
501.31866	0.6
519.22137	0.7
519.30927	0.2
561.23340	28.8
562.23798	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	561.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.2
59.01380	11.3
61.98823	1.1
64.68913	0.3
71.01385	2.8
71.65642	0.3
72.99306	3.7
73.02950	1.0
75.00877	0.3
80.72482	0.3
83.01382	0.5
85.02957	1.1
86.69572	0.3
87.00881	0.5
89.02441	2.8
93.03513	0.2
95.01389	0.3
99.00896	0.4
101.02434	1.9
107.05047	0.7
108.02163	0.5
109.02958	0.4
113.02428	1.4
117.03506	0.5
119.03500	0.7
119.05038	0.4
121.02992	0.3
123.04534	1.5
133.02960	0.8
134.03764	2.7
135.04527	100.0
136.04878	3.0
137.02437	0.3
145.02975	1.0
147.04514	1.3
151.03992	1.6
153.02048	0.3
159.03094	0.3
160.01711	0.5
161.02437	2.4
161.04573	0.7
163.04015	0.4
165.60516	0.3
168.88260	0.2
175.04010	0.8
179.03505	6.2
193.05136	0.6
197.02806	0.5
197.04539	3.6
225.11272	0.5
239.05598	0.3
269.06802	0.7
296.48450	0.3
357.26480	0.6
422.39502	0.3
427.13959	4.6
428.14709	0.6
471.12906	6.5
472.13382	0.3
475.20367	0.4
489.13989	3.3
490.14590	0.5
501.30576	2.0
517.21198	0.6
519.31885	1.0
543.15369	1.3
561.15924	4.8
561.33368	0.6
562.16840	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	561.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
71.65297	10.5
74.02472	11.7
75.13134	10.1
89.02425	13.2
109.02951	29.0
116.05040	20.3
132.04597	23.6
138.22955	8.8
144.04544	55.4
157.07664	26.9
183.96742	10.4
203.08279	26.2
219.07741	97.1
225.06506	15.3
246.01239	10.8
269.08270	16.7
315.89258	10.5
357.05762	15.4
357.23804	9.6
580.93488	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	559.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48476	1.6
59.01382	100.0
61.95317	1.4
61.98818	4.4
70.09896	6.8
71.01386	1.7
72.80907	1.3
86.25577	1.5
98.20483	2.5
117.03444	3.5
119.05000	3.4
133.02930	2.3
135.04512	2.5
143.05058	1.9
145.02974	9.8
161.02463	10.2
163.03961	3.8
187.03990	3.8
419.29211	2.9
425.30853	2.1
455.31451	7.3
484.61984	2.0
485.32709	4.9
487.34375	19.7
488.34641	2.3
499.30960	2.7
531.33313	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	559.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12042	2.4
59.01379	100.0
61.98826	8.9
65.43683	2.4
69.45865	16.6
69.46269	4.1
71.01390	5.3
72.99326	2.8
73.02943	2.8
73.42208	2.7
74.58727	2.3
83.04987	2.6
85.02947	5.6
104.77680	2.4
113.02426	3.9
117.03513	2.8
133.02974	3.1
135.04500	6.8
145.02925	5.0
147.04527	3.1
161.02431	7.8
175.03923	4.8
186.57239	2.9
247.02483	7.7
249.14952	6.0
255.17358	2.7
274.89108	2.6
293.09225	7.0
337.28125	2.6
353.22656	7.8
355.24228	4.8
371.27380	7.3
385.25308	5.4
387.26962	7.6
389.28674	3.4
403.26370	26.0
405.27914	6.9
421.27600	4.3
435.29001	7.9
437.30530	40.1
438.30902	5.9
455.31662	41.0
456.31906	4.4
469.29620	42.7
470.30069	5.4
481.29538	4.6
497.32617	4.1
499.30301	20.2
501.18945	3.3
513.28284	2.7
531.76746	2.8
545.17737	3.7
559.26428	6.7
559.32550	9.4
560.19952	4.7
560.85394	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	Montanin
Peak:m/z	Relative Intensity
51.32512	0.4
53.68701	0.4
57.03433	1.1
58.00574	0.6
59.01382	52.6
60.01702	0.5
61.98820	0.6
69.03454	0.5
70.98865	0.4
71.01391	3.5
73.02948	4.2
74.32707	0.5
83.01406	1.0
83.05011	0.6
85.02963	1.3
87.00876	0.5
89.02466	1.0
92.94328	0.4
101.02429	3.0
109.86412	0.5
113.02469	0.7
117.03461	0.5
123.04446	0.4
135.04517	1.5
145.02928	1.6
161.02492	2.5
163.04054	0.4
179.03540	0.9
200.14603	0.4
293.21381	0.8
299.31650	0.5
326.58630	0.4
335.65924	0.4
345.38693	0.5
355.24509	0.7
361.25186	0.5
371.27518	1.2
373.25732	0.6
379.26605	0.5
385.12555	0.4
389.28488	1.6
403.26624	1.1
405.28079	0.8
407.29593	0.6
415.26801	0.6
417.27939	1.5
421.27466	1.7
435.29248	2.6
436.87949	0.5
437.30591	10.7
438.31128	1.4
439.28726	0.8
453.30249	1.3
455.26437	0.9
455.31854	5.9
456.31876	1.1
469.29526	4.0
470.29584	0.9
473.28015	1.0
497.27625	1.3
499.30569	1.8
515.28638	14.9
516.28961	2.4
517.31287	0.7
528.37280	0.5
559.32758	100.0
560.33032	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	559.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53066	1.3
59.01380	100.0
69.66436	6.6
69.66846	2.6
79.23468	1.4
87.90331	1.2
94.91740	1.2
95.26910	1.3
120.26936	1.2
140.99232	1.5
145.02934	1.9
152.41185	1.2
161.02477	3.5
180.83540	1.4
441.29987	3.8
455.31387	3.4
473.33182	1.9
487.34229	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	559.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57277	1.6
54.13785	1.8
55.01873	2.3
57.03431	3.1
59.01381	55.6
61.98836	18.0
69.43921	15.9
71.01388	14.7
71.05017	2.0
72.99289	3.9
73.02940	7.7
73.31372	1.6
83.01385	2.7
85.02944	6.1
87.00896	5.4
87.04528	3.2
89.02471	3.2
95.01374	1.7
96.08462	1.6
99.00843	2.3
101.02432	11.2
113.02432	6.0
117.03452	7.2
133.02974	3.1
133.86156	1.7
135.04509	6.9
135.16565	1.9
145.02953	15.9
161.02452	6.8
163.04141	2.8
179.03427	2.7
194.22832	1.9
223.17043	17.0
275.20166	3.7
293.21277	6.4
311.22281	19.1
312.22662	2.5
353.84393	1.9
455.26590	14.1
456.26456	2.1
473.27701	23.5
474.28067	2.8
497.27805	2.4
515.28601	100.0
516.28857	11.7
559.31958	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	559.3273
Annotation	Montanin
Peak:m/z	Relative Intensity
53.39145	0.9
53.85257	0.9
57.21330	1.0
59.01382	100.0
63.71082	0.8
67.19927	0.8
69.48672	5.3
69.49098	2.1
71.01380	2.6
73.02951	5.6
75.02106	0.8
85.02954	1.3
101.02393	0.9
104.23499	0.8
107.10836	1.1
111.04565	1.0
113.02431	1.5
117.03463	7.1
119.04986	2.9
120.45128	0.8
133.91910	0.8
135.04509	1.0
135.08206	0.9
143.05063	2.6
145.02969	18.6
161.02452	1.7
161.06006	0.9
163.04022	7.3
166.63203	0.9
181.10254	1.5
187.04010	6.9
201.12929	0.8
224.99384	1.0
277.49838	1.0
303.20685	0.9
357.22092	1.2
359.23856	4.5
371.23746	1.6
373.25412	3.4
375.26959	6.8
387.26898	3.5
389.24557	4.9
389.29086	1.8
393.27948	1.0
399.26874	1.4
401.24753	4.8
403.26297	2.0
405.28009	26.4
406.28278	3.1
407.29907	1.2
413.24884	1.5
415.25928	1.2
417.28043	9.3
418.28076	0.9
419.25684	2.1
421.27264	4.5
423.29059	2.5
431.25879	2.1
433.27731	1.3
435.29074	8.4
437.30646	41.0
438.30807	5.7
439.28568	1.6
449.26617	1.4
451.28726	2.6
453.30161	3.7
455.31708	12.6
456.31921	1.8
457.29367	1.2
457.36151	0.9
467.27972	1.2
469.29572	35.1
470.30115	4.4
479.27057	1.5
479.32953	1.3
485.28958	1.1
487.30771	1.6
497.33575	2.1
499.23975	1.6
499.30618	10.0
500.30838	1.3
509.29446	1.6
511.30890	2.2
513.28955	1.3
515.29425	1.3
517.31476	2.1
527.22430	2.0
527.30109	25.9
528.30365	4.6
529.31970	1.3
559.25360	6.3
559.32776	78.3
560.33240	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	559.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03439	2.7
59.01382	36.8
60.99304	1.2
63.13841	0.8
65.80178	0.8
69.03424	1.0
69.82686	1.9
69.83097	4.1
71.01384	16.5
71.77104	0.7
72.99311	6.6
73.02935	2.8
75.00876	14.8
81.03466	1.3
83.01396	1.4
83.05040	4.2
85.02956	22.8
87.00880	7.5
88.98813	4.0
89.02451	4.8
90.55683	0.8
90.89349	0.8
95.01421	4.0
96.55054	0.8
97.02942	0.8
99.00884	8.3
101.02459	1.8
103.00362	2.0
109.03063	0.9
110.03735	1.0
111.00898	1.1
113.02450	23.3
115.00419	1.3
116.92849	2.9
117.01930	3.1
117.92848	1.0
119.05045	3.4
121.02937	1.8
123.04526	6.0
125.06085	0.9
129.01971	1.7
133.02939	1.2
135.04539	5.3
136.04874	0.8
145.02931	1.3
147.04506	1.4
161.02475	5.0
163.03995	2.0
171.80055	0.8
175.02484	3.1
175.03902	1.7
176.39191	0.8
179.03487	1.7
179.46895	0.9
183.13892	11.9
193.03490	1.2
197.04597	1.2
202.00937	0.8
205.07144	0.9
247.02576	1.3
249.06046	4.2
255.21210	0.9
265.18085	3.5
266.18301	0.8
267.07135	5.1
273.18396	0.9
281.21359	0.9
291.19641	3.4
309.20706	13.5
340.09418	2.4
355.11948	2.9
371.27515	1.3
387.25192	1.0
388.36707	1.0
393.24237	1.0
397.27240	1.3
410.89899	0.8
425.27332	1.0
427.24265	0.8
427.28668	9.8
428.28848	1.5
441.26505	2.4
459.27264	4.4
469.29724	2.6
481.29440	2.1
487.30948	1.0
499.30643	19.0
500.31097	2.0
517.30847	1.1
541.26575	2.9
556.99652	0.9
559.26746	100.0
560.27228	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	559.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88228	0.8
59.01382	78.8
63.23182	0.8
70.97600	1.9
70.97928	1.2
71.01377	5.0
73.02946	8.3
83.01385	1.3
85.02905	0.9
89.02428	3.6
99.00895	0.9
101.02435	5.3
113.02429	1.3
145.02925	1.1
161.02466	1.0
355.24338	1.1
389.28476	1.6
405.27820	0.9
417.27960	1.6
421.27548	1.2
435.29031	2.0
437.30518	9.6
455.31641	4.8
469.29489	3.0
473.27380	1.8
497.27411	1.9
499.30603	1.3
504.32425	1.0
515.28595	31.2
516.28754	5.9
559.32739	100.0
560.33057	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	559.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98831	78.9
69.69166	7.4
71.01430	1.3
78.95904	14.4
96.65121	1.1
98.20569	2.3
98.52368	1.0
100.90971	1.0
101.10683	1.2
109.02960	1.1
116.54256	1.0
116.68356	1.1
140.01181	2.2
152.99590	3.0
196.03780	2.2
211.07539	1.3
214.04836	4.2
267.06644	2.1
277.21719	100.0
278.22098	6.8
323.66272	1.4
362.19388	3.9
362.43634	1.2
437.05835	1.4
468.25226	1.1
474.26257	26.9
475.26666	3.9
515.24249	2.8
559.24011	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	559.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29194	2.1
55.72790	2.2
57.03456	2.3
59.01380	96.1
60.01693	2.1
61.98835	14.2
62.57052	2.4
71.01381	17.0
72.99283	3.4
73.02946	6.8
74.58672	2.0
83.01405	3.8
85.02966	6.3
87.00884	5.0
89.02440	5.4
97.99825	2.2
98.20620	8.3
99.00878	3.3
101.02449	8.5
113.02396	4.9
116.92896	2.8
123.04513	11.6
126.31715	2.2
133.02965	32.6
135.04539	8.1
145.02965	7.9
147.04512	4.9
149.02386	3.3
150.03247	3.2
151.03972	4.8
161.02444	100.0
161.06087	3.6
162.02780	5.0
163.04022	3.1
171.10237	3.5
179.03441	6.7
213.81743	2.6
223.17027	15.4
263.16531	5.7
289.22858	2.2
293.21146	5.5
309.40314	2.8
311.22238	13.3
311.25970	9.1
313.07129	23.5
355.24954	9.9
397.27148	4.7
413.26865	3.3
427.28525	10.7
437.30200	10.1
441.26624	6.4
455.26556	7.3
459.27563	5.0
469.29330	4.4
473.27658	14.7
474.28003	2.7
481.29147	8.6
499.30685	29.6
500.30585	4.1
515.28564	74.2
516.28882	10.7
517.31909	2.9
559.32910	43.0
560.33881	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	559.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01141	0.6
59.01388	7.7
61.98816	1.5
63.96224	1.3
71.01376	8.0
72.99316	1.4
73.02939	2.4
73.07842	0.5
78.98591	4.5
79.95740	8.2
80.96516	51.6
81.03446	1.5
83.01375	1.0
85.02940	2.6
87.00853	2.4
88.98773	0.6
89.02427	0.8
93.83099	0.6
94.98087	12.3
95.04978	0.7
96.96000	1.8
97.02924	1.3
98.19823	1.1
99.00879	0.7
101.02441	3.4
106.98067	2.0
109.02937	1.4
113.02461	1.3
122.97588	2.1
123.04477	0.8
125.02448	4.4
127.03968	1.1
127.07655	1.3
133.02975	1.1
134.97580	3.1
135.04521	8.2
135.11880	0.6
136.04826	0.6
136.99110	2.0
148.99142	5.5
149.06018	0.8
150.03354	0.6
152.01111	0.7
152.98634	4.4
161.02423	3.2
164.98624	10.7
177.01855	1.4
179.03442	2.1
187.02437	1.3
189.07678	0.9
197.04471	1.4
198.06543	0.5
206.99651	2.3
209.11783	2.5
224.98631	0.8
225.00732	14.8
265.95145	0.6
297.09805	0.8
299.04364	2.8
305.47653	0.5
341.08859	0.7
345.76596	0.6
357.55576	0.6
382.70837	0.5
521.12567	1.0
527.17645	3.7
559.20599	100.0
560.20813	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	559.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.4
71.01393	4.9
72.99292	1.9
73.02931	5.1
73.32449	1.7
86.19646	1.6
93.90629	1.8
98.19872	2.9
101.02431	5.7
111.61741	1.8
116.90685	1.8
117.03462	7.2
119.05005	5.7
135.04514	4.1
143.05000	5.2
145.02951	26.2
161.02483	3.3
163.03995	4.8
187.04033	8.3
207.17664	2.3
249.18680	7.8
267.19644	75.5
268.19897	5.9
275.16534	10.4
293.17560	49.3
294.17786	1.9
307.18881	2.1
311.18646	100.0
312.19138	7.7
340.02661	1.5
353.19653	6.3
406.02328	1.6
409.63776	1.5
410.10321	1.8
433.48605	2.0
498.25739	1.8
515.24841	12.5
559.25006	10.9
560.26379	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	557.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37985	0.1
59.01389	0.4
61.98832	100.0
62.98542	0.1
69.54592	0.4
69.55019	0.5
74.51738	0.1
78.95911	0.5
80.15105	0.1
115.92113	0.2
135.04547	0.2
139.07111	0.1
146.37570	0.1
152.99661	0.3
159.52284	0.1
168.04224	0.1
188.62117	0.1
195.84015	0.1
207.42827	0.1
219.84221	0.1
224.07027	0.2
255.23276	1.9
255.25719	0.1
256.23639	0.8
257.24033	0.4
258.24435	0.2
308.52170	0.1
480.30893	1.1
481.31122	0.3
483.31747	0.7
557.32172	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	558.333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83150	0.5
59.80066	0.5
59.93549	0.5
61.98844	0.8
63.28005	0.5
69.35549	0.5
71.12095	1.1
71.12437	0.8
78.95901	21.6
152.99579	3.0
168.04329	3.5
224.06931	8.6
228.86230	0.6
241.68237	0.5
242.08011	2.0
259.73038	0.6
283.26416	100.0
284.26764	7.0
508.34061	72.6
509.34338	7.1
544.64337	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	559.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
59.52152	0.8
71.01365	3.1
71.62598	1.1
72.99308	1.6
73.40837	0.9
75.00874	0.9
80.96519	1.6
85.02968	1.3
91.72308	0.7
96.96009	2.4
101.02455	1.2
108.02160	0.8
109.02940	1.3
113.02445	1.2
135.04498	3.1
147.04495	5.7
148.05266	0.8
148.39799	0.8
149.06081	100.0
150.06415	4.0
151.38135	0.8
161.02478	1.3
161.06023	0.8
161.28938	0.8
179.03493	1.4
182.37340	0.7
191.05589	1.1
205.12265	0.9
211.73097	0.8
250.04317	0.8
311.11340	5.7
353.12500	6.1
494.05359	0.8
528.08734	0.9
559.16931	5.7
559.28162	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	557.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.9
60.36930	0.7
61.40646	0.7
61.98831	3.8
65.72148	0.7
68.99830	1.3
70.41914	3.3
71.01368	2.0
72.99310	1.2
73.02943	1.6
98.20511	1.1
101.02436	1.4
106.10761	0.8
113.02440	1.2
117.03468	33.3
118.03806	0.9
119.05026	22.3
133.02989	2.9
135.04556	2.2
143.05043	6.7
145.02956	100.0
146.03308	4.6
148.05304	7.8
161.02437	7.6
161.04477	1.0
163.04004	30.1
163.07649	3.6
179.03482	2.4
187.03995	14.9
223.48505	0.8
246.97771	0.8
311.22250	1.0
349.09317	5.2
355.24734	0.8
377.68079	0.8
513.17633	19.8
513.25006	1.0
514.17627	1.2
524.76312	0.8
552.12482	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	557.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49787	1.3
59.01382	100.0
61.98807	1.7
66.99685	1.5
69.37816	4.3
69.38231	8.9
71.01382	15.9
72.99337	1.5
73.02947	13.5
83.01397	4.3
85.02959	3.7
89.02428	7.0
94.88047	1.8
101.02457	14.1
113.02474	5.6
117.03461	12.8
119.05038	5.8
126.82187	1.3
128.39532	1.4
133.02986	2.6
137.24631	1.6
137.60449	1.4
143.05118	2.0
145.02959	45.2
146.03352	2.4
161.02429	4.5
161.04607	3.1
163.04005	8.7
184.85513	1.4
187.04008	7.2
240.32693	1.4
249.47012	1.5
291.19598	7.0
333.13351	1.9
453.25162	1.6
471.26102	4.7
495.26215	4.4
513.27057	72.5
514.27539	6.6
541.04816	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	557.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43630	0.5
59.01381	10.1
61.98836	3.8
68.99804	1.1
71.01387	2.9
71.45139	1.0
72.99300	1.1
73.02952	2.3
83.01386	0.7
85.02940	0.6
89.02467	0.9
101.02423	1.4
113.02457	0.7
117.03465	34.1
118.03819	1.0
119.05021	20.5
122.92470	0.7
133.02962	2.0
135.04523	4.0
137.02457	1.0
143.05038	7.0
145.02953	100.0
146.03307	3.6
148.05315	9.6
149.02409	0.6
149.05692	0.6
161.02461	6.4
163.04013	29.2
163.07648	3.3
164.04295	0.9
178.26306	0.6
179.03474	1.9
180.92735	0.7
187.04002	14.9
197.04507	0.8
221.41171	0.6
233.15416	1.0
291.19760	1.2
311.22141	0.6
349.09232	6.5
353.40771	0.6
495.21024	0.8
513.17670	21.2
513.25751	1.5
514.18109	2.5
526.61633	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	557.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.1
59.05038	0.4
60.15071	0.3
61.98838	1.0
69.99937	0.4
71.01392	1.2
71.62736	0.5
72.99316	0.8
74.21704	0.3
83.05046	0.4
84.70287	0.4
89.02436	0.8
95.01412	0.4
96.96014	2.9
98.95603	1.6
98.96367	0.4
99.00882	0.4
99.92585	14.1
100.92641	0.6
100.93378	1.7
101.02476	0.6
103.00393	0.5
109.02956	0.9
115.03988	0.6
115.92078	24.8
116.92863	100.0
117.92895	3.8
117.93644	0.7
125.02444	0.7
126.90501	2.7
135.04533	2.2
136.07614	0.4
140.92844	1.2
141.93649	1.1
142.94415	0.8
143.10805	0.5
145.02954	0.6
149.06059	0.4
158.93861	0.5
161.02412	0.9
161.04614	0.4
161.06027	0.5
172.10597	0.4
174.93423	0.6
177.09201	0.5
179.03503	0.6
183.94803	0.6
184.91800	1.9
189.05612	2.6
196.95424	0.6
244.97618	0.4
249.54375	0.4
249.91252	0.4
250.92068	0.7
256.99304	0.4
285.12677	0.6
387.16547	0.5
435.11230	0.7
453.12259	3.3
471.13211	2.9
477.12637	1.0
483.13501	0.7
495.13293	1.5
513.14435	5.7
514.14966	0.5
521.11346	0.8
557.01788	1.1
557.13477	16.7
557.22253	2.7
558.13733	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	557.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.1
59.05038	0.4
60.15071	0.3
61.98838	1.0
69.99937	0.4
71.01392	1.2
71.62736	0.5
72.99316	0.8
74.21704	0.3
83.05046	0.4
84.70287	0.4
89.02436	0.8
95.01412	0.4
96.96014	2.9
98.95603	1.6
98.96367	0.4
99.00882	0.4
99.92585	14.1
100.92641	0.6
100.93378	1.7
101.02476	0.6
103.00393	0.5
109.02956	0.9
115.03988	0.6
115.92078	24.8
116.92863	100.0
117.92895	3.8
117.93644	0.7
125.02444	0.7
126.90501	2.7
135.04533	2.2
136.07614	0.4
140.92844	1.2
141.93649	1.1
142.94415	0.8
143.10805	0.5
145.02954	0.6
149.06059	0.4
158.93861	0.5
161.02412	0.9
161.04614	0.4
161.06027	0.5
172.10597	0.4
174.93423	0.6
177.09201	0.5
179.03503	0.6
183.94803	0.6
184.91800	1.9
189.05612	2.6
196.95424	0.6
244.97618	0.4
249.54375	0.4
249.91252	0.4
250.92068	0.7
256.99304	0.4
285.12677	0.6
387.16547	0.5
435.11230	0.7
453.12259	3.3
471.13211	2.9
477.12637	1.0
483.13501	0.7
495.13293	1.5
513.14435	5.7
514.14966	0.5
521.11346	0.8
557.01788	1.1
557.13477	16.7
557.22253	2.7
558.13733	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	555.278
Annotation	Artocommunol CB
Peak:m/z	Relative Intensity
55.24165	0.3
59.54449	0.3
61.98833	5.0
68.62200	0.3
69.81641	0.3
80.91676	0.4
80.96538	0.3
81.85540	0.3
83.92989	0.3
84.75085	0.3
98.19816	0.6
99.92590	14.4
100.92667	0.5
100.93345	4.5
115.92078	100.0
116.92085	4.2
116.92873	3.6
132.92363	1.1
133.93405	0.3
152.09140	0.3
190.30499	0.3
229.47749	0.3
274.04388	0.4
277.21680	0.7
455.35617	0.8
537.26678	0.5
540.26178	0.3
555.27814	62.9
556.28101	11.8
569.25824	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	556.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.61742	1.9
69.62173	1.8
73.49245	0.5
78.95908	0.8
82.96130	1.0
231.35370	0.6
277.21793	0.8
279.23355	1.6
405.84521	0.5
471.34750	9.5
472.35233	1.0
504.31241	1.3
556.32587	65.9
557.32935	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	556.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.66460	0.6
78.95915	0.7
80.96530	0.7
82.96112	1.3
99.88216	0.4
101.56821	0.4
161.02463	1.2
167.01186	0.8
177.24957	0.4
188.66508	0.4
249.42880	0.3
354.59402	0.4
471.34708	7.7
472.35248	1.3
474.35849	0.6
556.32648	53.0
557.32843	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	554.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.6
59.28852	0.2
59.99357	0.2
61.76818	0.3
61.98843	0.6
70.17023	0.5
70.17404	0.5
78.95907	18.7
79.95718	0.2
80.96523	0.9
88.81966	0.3
90.06576	0.2
96.96985	0.3
122.98490	0.5
152.99579	2.6
161.02397	0.4
168.04329	2.9
179.03499	0.5
224.06938	8.0
225.07372	0.3
242.08038	1.5
255.23294	100.0
256.23645	6.8
397.47720	0.2
480.30933	57.9
481.31314	5.6
554.27124	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	555.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77578	0.5
52.59843	0.5
59.01382	28.6
61.98837	3.9
64.47105	0.5
66.70737	0.4
68.99821	9.3
70.44473	1.6
71.01383	1.7
72.99302	0.7
73.02939	0.5
78.80835	0.5
83.28500	0.5
85.02943	1.2
85.26212	0.5
93.03452	1.3
96.95983	0.7
101.02459	1.3
110.76411	0.4
113.02458	0.8
115.05542	4.8
117.03470	39.0
118.03793	1.2
119.05032	31.6
121.02975	1.6
123.00917	0.5
123.04533	0.6
133.02933	2.1
134.03752	0.7
135.04515	3.5
137.02470	0.6
140.64922	0.5
143.05029	66.9
144.05360	2.7
145.02959	98.0
146.03311	4.4
148.05310	25.3
149.02440	0.6
149.05675	0.8
159.04536	1.1
161.02464	4.1
161.04779	0.5
161.06085	2.3
162.03108	1.1
163.04013	20.5
163.07658	18.3
164.07919	0.7
179.03493	1.5
185.06102	0.7
187.04005	100.0
188.04318	4.9
203.07170	0.6
205.05101	0.5
227.06976	0.7
229.05052	0.7
242.08226	0.5
289.07306	0.7
331.08701	0.5
349.09348	1.8
378.95020	0.5
391.10376	3.3
418.38782	0.6
433.87460	0.5
453.15634	1.3
495.16666	7.7
495.32068	0.6
496.17029	0.7
513.17657	4.2
555.18732	15.9
556.18878	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	554.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.9
61.98516	2.6
61.98832	51.2
65.16457	1.0
69.78644	1.1
71.01386	1.6
71.63059	1.9
71.63741	1.3
72.99308	2.0
74.31927	1.2
78.95918	1.5
94.06600	2.7
96.96011	35.9
96.96950	2.2
99.92586	16.5
107.03761	10.9
111.00870	1.5
114.93385	1.8
115.92078	20.6
116.92863	84.1
117.03474	1.9
120.04526	2.4
121.02921	2.3
122.06123	50.9
123.04539	2.4
123.06447	1.6
132.04535	6.4
134.06133	2.4
135.04558	6.2
138.05627	2.8
139.02740	3.0
142.94392	1.5
145.02931	5.0
152.07181	100.0
153.07501	2.6
160.04030	3.2
166.05118	1.4
175.07489	1.3
179.03584	1.7
184.91722	2.2
187.04021	1.6
190.05069	7.4
192.06682	6.8
197.04654	1.9
213.10364	5.1
225.06738	2.8
225.10188	1.5
237.10336	17.4
238.07285	1.7
251.08299	4.2
253.09825	6.7
263.08090	1.7
265.06143	5.3
265.09732	2.8
266.07025	9.2
277.06204	1.6
278.06888	3.2
279.07782	1.5
280.08441	2.2
281.09320	49.8
282.09579	3.0
293.09305	23.0
294.09814	2.7
300.26215	1.4
313.11932	7.4
325.11832	3.8
328.08334	2.4
339.13364	1.6
341.11740	2.8
355.13074	8.0
356.13510	1.5
357.14578	4.1
378.18369	1.2
402.18112	5.4
416.05933	1.4
418.17889	2.2
446.17218	32.2
447.17502	2.8
451.10559	4.4
469.11526	3.4
478.19824	51.2
479.20551	7.1
490.15979	9.9
493.10864	1.5
510.22537	11.8
511.12793	5.3
511.21606	1.6
522.18811	60.3
523.19220	8.9
536.21191	1.5
554.21350	14.8
555.11737	16.8
555.20374	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	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05108	0.6
61.43851	0.6
61.98840	3.0
71.01391	1.1
78.95908	22.0
78.98593	1.4
79.95748	1.8
80.83630	0.6
80.96519	11.7
91.61668	0.5
94.98086	2.4
98.08441	0.6
122.97596	0.6
134.97525	0.7
138.84833	0.7
148.99167	1.2
152.98518	0.7
152.99606	2.6
161.02492	0.9
164.98601	1.7
168.04285	3.9
179.03493	1.1
224.06914	9.6
225.00742	1.7
226.01151	1.1
228.18604	0.8
242.07927	2.7
279.23285	100.0
280.23679	6.6
358.65671	0.6
416.54254	0.7
439.93604	0.6
454.33374	0.8
472.35263	5.5
504.30957	67.9
505.31177	8.2
554.27209	20.1
554.35492	6.6
555.27142	3.7
555.35852	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	554.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.0
61.98824	8.3
71.04263	2.4
71.04632	2.1
72.99294	4.3
74.78940	1.2
94.06609	5.7
96.95998	3.8
106.06664	1.7
107.03766	13.1
108.02212	1.6
109.02967	2.0
116.92838	4.1
120.04522	2.7
122.06120	70.4
123.04536	2.7
123.06438	2.5
124.07631	2.1
134.06099	5.1
135.04526	11.8
139.02708	3.4
150.05618	1.7
152.07166	98.5
153.07512	2.3
158.02478	1.4
161.02435	2.4
166.05055	1.2
172.03964	1.9
179.03493	3.0
190.05046	1.7
192.06627	3.2
197.04471	4.3
210.07930	1.3
213.10364	2.4
220.06320	1.2
223.08752	1.1
225.06665	2.1
225.10263	2.1
235.08783	1.9
237.06648	5.5
237.10272	9.8
238.07213	2.5
238.08838	1.8
239.08272	2.6
249.06699	1.4
251.04636	1.1
251.08244	6.8
252.05087	2.0
252.08859	2.2
253.09814	9.4
263.08182	1.6
265.06100	9.9
265.09848	3.6
266.06903	18.6
267.07370	1.7
270.11563	1.3
277.06116	1.9
278.06906	7.5
279.07736	4.1
280.08554	6.2
281.09317	91.8
282.09546	4.5
292.08459	1.3
293.09299	46.8
294.09979	6.9
295.10718	1.9
310.07068	3.0
313.11942	10.9
325.11761	1.4
339.13449	1.6
355.12952	3.0
402.18152	3.1
418.17722	4.7
446.17200	98.3
447.17480	12.0
449.48636	1.1
472.14792	1.2
478.19855	32.6
479.20007	3.9
490.16187	42.8
491.16391	5.8
522.18811	100.0
523.18988	14.1
555.25836	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	553.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
61.98833	42.6
62.98507	1.0
67.12012	1.0
71.01379	4.5
71.63396	1.1
73.02950	1.3
78.98584	3.9
79.95734	9.5
80.96521	56.6
85.02948	2.6
87.00862	2.6
94.98094	12.2
99.21736	1.0
101.02468	1.4
106.98132	2.3
122.97552	2.8
125.02438	2.6
134.97556	3.1
135.04506	1.4
136.99117	1.4
148.99120	4.1
152.98627	3.1
164.98627	9.4
165.49982	1.2
166.47006	1.0
177.97255	1.1
206.99590	2.6
225.00717	11.9
253.21683	1.6
255.23332	1.2
299.04202	1.6
471.34808	100.0
472.35129	12.7
553.26727	87.4
553.35095	59.9
554.27112	10.8
554.35382	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	554.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98826	19.7
73.65761	0.8
78.95910	2.9
92.03038	0.8
109.02943	2.9
121.02962	1.5
133.02943	5.6
134.03743	2.2
135.04527	68.5
136.04880	1.9
145.02953	0.9
149.02428	3.4
150.03259	1.9
152.01199	2.3
161.02429	20.2
174.03262	1.5
175.03981	1.4
179.03491	100.0
180.03807	3.6
191.57300	0.8
193.05013	1.2
197.52937	0.8
217.04752	0.8
239.07057	0.9
243.06555	4.2
249.05731	1.0
250.06273	0.9
267.06625	24.4
268.06775	1.6
283.06003	2.4
311.05603	29.1
312.05978	1.8
341.06732	3.5
447.10208	0.9
491.09708	1.9
573.30945	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	554.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40343	0.5
59.01370	1.0
61.98836	14.6
69.40493	0.6
69.40898	3.4
107.05058	0.5
109.02968	2.6
117.03471	0.6
120.04617	0.5
121.02969	0.7
133.02946	6.5
134.03732	1.4
135.04524	66.1
136.04869	1.9
145.02921	0.8
149.02429	4.5
150.03197	2.0
161.02441	27.4
162.02763	0.5
173.02591	0.4
174.03265	0.7
179.03493	100.0
180.03830	3.5
201.01791	0.5
214.24908	0.5
239.07019	0.8
250.06371	0.7
267.06604	16.1
268.06973	0.9
283.06082	1.7
297.07733	0.9
311.05612	19.3
312.06082	1.6
341.06671	7.4
342.07034	0.8
355.15570	0.5
491.09775	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	553.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70100	0.4
59.01391	0.4
61.98831	3.6
63.96230	1.3
65.38338	0.4
68.57907	0.4
69.03477	0.8
70.66482	0.4
71.01382	6.1
73.02956	1.3
78.98601	5.3
79.95738	10.3
80.96518	66.4
81.03458	0.8
81.27653	0.4
85.02944	3.6
87.00877	2.9
94.98088	14.6
96.96017	1.0
97.02956	1.7
98.19855	1.2
99.00883	0.6
101.02454	2.7
106.98099	3.7
113.02427	0.6
120.99604	0.5
122.97574	3.2
125.02464	2.7
127.03988	1.0
134.97583	4.1
136.99117	1.7
148.99136	5.8
152.98610	5.5
164.98627	11.2
167.00160	0.6
174.82857	0.4
188.98688	0.5
200.98886	0.4
203.52390	0.4
206.99698	2.8
224.98607	0.8
225.00743	13.2
226.01065	0.6
253.21693	2.4
299.04507	2.9
404.41455	0.4
408.10254	0.4
471.34647	1.2
553.26880	100.0
554.26794	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	553.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03439	1.7
58.00601	1.1
59.01382	59.8
61.98832	14.8
65.91621	0.6
69.03450	2.8
69.45050	1.6
69.45455	4.3
71.01388	10.0
71.95873	0.6
72.99306	2.8
73.02951	2.7
75.42367	0.5
83.01385	0.9
85.02950	2.4
87.00894	1.5
89.02436	5.8
93.03477	0.7
93.07099	1.0
95.05048	0.7
96.96005	2.1
101.02441	6.9
109.02938	1.8
109.06598	0.9
111.08181	1.0
113.02428	3.8
113.06028	0.7
117.03453	2.0
119.03496	2.5
119.05022	2.4
121.02937	1.6
123.04507	0.7
123.08167	0.7
125.09673	0.7
127.07658	3.6
133.02899	1.8
134.03751	0.9
135.04509	5.5
137.02481	1.0
137.06073	2.9
139.11266	5.0
140.11594	0.8
145.02963	5.4
149.81390	0.7
155.07140	2.8
159.04543	0.8
161.02448	8.0
163.04015	2.7
163.11278	5.7
165.05574	0.9
177.09254	0.8
179.03508	2.1
183.10252	11.2
187.03984	1.0
197.04564	1.2
197.11848	2.1
207.10262	14.6
225.11345	3.6
229.01352	1.6
257.08524	0.7
267.06573	1.3
277.05264	0.9
282.07675	1.3
295.06110	1.0
314.10300	1.1
339.05078	6.3
369.15564	5.3
387.16595	30.8
388.17038	1.9
553.26569	100.0
554.26947	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	553.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08028	4.4
59.01382	100.0
60.01719	5.8
61.98842	29.0
71.01387	31.9
71.62523	5.3
72.99306	42.2
73.02943	31.4
83.01384	10.9
85.02967	7.7
87.00858	9.0
88.98789	4.5
89.02436	14.5
91.29253	4.7
93.03479	8.6
96.96030	23.6
101.01847	4.7
101.02457	18.7
107.05002	5.0
108.02179	10.5
109.02963	35.9
113.02449	14.3
114.93416	10.1
117.03450	16.6
119.05037	11.1
121.02971	13.7
122.06128	10.7
123.04529	24.1
133.02965	13.8
134.06029	6.1
135.04520	62.7
137.02441	20.0
145.02963	49.6
147.04356	6.6
149.02438	16.2
150.03242	21.8
151.03949	7.0
152.07169	15.8
159.04488	9.3
161.02466	73.6
161.04549	7.7
162.02791	6.3
163.04018	17.4
165.05560	16.4
173.02444	19.1
174.03175	6.6
175.03949	6.6
179.03497	28.5
180.04234	4.9
187.04019	34.6
187.05461	6.3
193.05032	22.3
195.06651	16.7
197.04565	36.0
199.03987	5.5
202.02684	10.8
215.03522	16.7
216.04333	8.2
219.02982	8.0
219.06667	11.6
231.06665	6.7
239.03209	5.0
240.04256	5.3
245.04462	12.2
253.05051	7.9
255.06612	7.7
269.04575	11.8
272.06934	20.4
281.04565	13.9
281.09412	10.4
287.09299	37.1
293.09143	9.0
305.10370	8.8
311.09241	8.8
313.06964	6.2
323.05527	24.0
327.08612	6.8
341.06570	5.6
355.08310	24.9
357.13202	11.9
359.07565	22.9
373.09430	5.9
391.10434	6.3
409.33209	5.5
446.17188	8.6
505.18347	9.4
518.88538	4.8
519.44666	5.8
552.31177	26.5
553.22345	16.8
553.31226	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	553.1563
Annotation	Arillanin G
Peak:m/z	Relative Intensity
58.18893	0.8
59.01378	18.6
61.98835	5.9
69.03436	3.5
70.13848	3.1
71.01386	6.9
72.99299	4.5
73.02959	1.2
82.05090	1.0
82.86538	1.0
83.01385	2.4
85.02937	4.3
87.00874	2.0
88.98797	3.1
89.02441	4.5
91.37043	1.0
93.03483	1.2
95.01385	2.7
95.05034	2.2
97.02955	3.2
98.19953	1.3
99.00890	2.2
101.02421	3.2
107.01362	1.6
108.02176	6.6
109.02982	10.4
113.02456	4.1
116.05087	1.5
121.02966	2.4
123.00894	10.4
123.04527	4.1
124.01661	17.6
125.02458	60.6
133.02960	1.9
133.05348	1.6
134.03714	1.0
135.04538	10.4
135.08174	1.6
137.02495	5.7
145.02975	2.0
147.04436	1.8
149.99590	24.0
151.00317	2.8
151.04062	1.3
152.01184	2.0
153.01961	21.1
160.54861	0.9
161.02443	10.2
161.04515	1.6
161.05812	1.0
162.02892	1.3
162.94400	0.9
165.01947	1.7
167.03471	6.3
168.00645	55.8
169.01411	14.1
175.04053	1.9
177.09206	2.6
179.03473	5.2
180.04153	1.2
195.06610	1.4
195.10249	1.6
197.04523	2.1
211.02477	1.3
229.01405	1.1
239.09236	3.1
241.05083	1.1
253.04852	1.4
265.04709	1.8
267.06747	3.4
285.04132	2.6
287.07639	1.0
293.04413	1.1
303.21667	3.1
310.10803	2.7
311.05450	2.9
313.05731	2.7
329.20325	1.2
331.06793	4.6
355.04468	2.6
373.05627	2.6
391.17386	2.2
423.92752	1.1
509.16562	2.2
535.14648	3.7
553.15601	100.0
553.29645	4.3
554.16077	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	552.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54136	0.5
56.75449	0.5
57.38635	0.6
60.38935	0.6
61.98831	100.0
71.01398	3.6
71.15246	1.2
73.02919	0.5
78.98595	2.6
79.95737	4.0
80.96514	30.5
87.00890	0.7
94.98091	6.8
96.96016	0.7
97.49055	0.8
101.02448	1.5
104.47750	0.5
106.98058	1.3
112.57578	0.5
113.13829	0.6
119.67976	0.6
122.97569	1.6
125.02431	1.0
130.18004	0.6
134.97580	2.9
148.99170	2.7
152.98651	2.7
164.98627	5.0
206.99617	1.3
225.00690	7.2
253.21846	1.1
299.04367	1.7
372.08603	0.6
407.16510	0.6
471.34750	11.3
553.26996	54.2
553.35120	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	553.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12350	0.2
59.01381	8.4
61.98833	4.7
71.01381	1.1
72.99306	2.0
73.02964	0.5
79.95740	3.2
83.01375	0.5
85.02978	0.5
87.00900	0.4
89.02449	1.0
93.03447	0.6
96.96014	100.0
97.93093	0.3
97.95978	0.3
98.20729	0.5
99.92576	0.3
101.02441	0.7
106.06641	0.4
108.02189	0.5
109.02956	1.4
111.04522	0.4
113.02467	0.6
117.03427	0.3
119.05059	0.7
121.02969	0.8
122.03755	1.3
122.06120	0.4
123.04524	1.1
133.02946	1.6
133.09906	0.3
134.03745	0.6
134.06119	1.7
135.00914	0.5
135.04530	4.2
136.04884	0.3
137.02477	0.6
139.07681	0.5
142.45119	0.2
144.24585	0.3
145.02940	1.3
149.02484	1.8
149.06062	0.3
150.02306	0.2
150.03230	5.6
151.04039	0.2
152.07121	0.4
153.01926	0.5
154.68958	0.3
155.03552	0.4
161.02451	4.3
161.04608	0.3
161.09714	0.3
162.02756	0.3
162.26285	0.3
163.04019	1.4
164.04738	0.4
165.05565	6.2
167.03485	0.8
175.03975	0.3
177.09203	0.3
179.03474	1.3
180.04207	0.4
181.05054	0.8
186.33791	0.3
187.04050	0.5
187.07703	0.4
188.73615	0.3
195.06628	3.3
197.04521	0.6
207.10223	0.7
213.04251	0.4
219.10323	0.5
226.08777	0.4
228.06509	0.4
231.10201	0.3
240.06540	0.4
241.04997	0.3
242.08170	0.6
254.08078	0.3
270.07620	0.4
277.09732	0.6
283.06128	0.4
293.10300	1.2
294.05075	0.2
297.07739	0.3
305.09351	1.2
306.09311	0.3
309.08057	0.3
311.05670	0.8
321.63535	0.3
324.10074	0.3
326.07895	0.9
327.08850	1.0
327.12421	0.3
331.14713	0.3
337.11948	1.4
339.07523	0.3
339.12405	1.1
341.10339	0.9
342.10950	0.8
356.12830	1.3
357.13339	2.9
375.13464	0.4
387.16647	4.1
397.14050	2.0
401.11438	0.4
435.15753	0.4
435.21863	0.3
455.13342	0.6
461.14032	0.4
477.16663	0.6
487.17599	0.5
493.15891	1.3
505.18713	1.4
509.20160	0.3
521.15778	2.2
552.22321	0.8
553.18384	3.7
553.23022	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	551.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	54.3
64.54507	27.2
68.11658	25.9
70.12704	100.0
84.45086	26.4
84.80940	29.2
89.88229	25.3
103.74702	28.1
161.12460	27.8
279.23315	62.3
383.40521	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	551.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35342	0.7
59.01381	11.8
61.98830	36.4
69.52663	3.4
69.53068	2.1
71.01393	2.8
73.02944	0.9
79.08511	0.7
82.41238	0.8
89.02440	2.6
101.02453	3.1
113.02454	0.9
127.73026	0.7
130.37675	0.8
217.83549	0.8
235.08192	3.5
253.09262	11.3
253.25554	0.9
255.23283	100.0
256.23599	8.3
306.19574	0.8
361.13797	0.9
488.35995	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	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64449	0.5
59.01379	2.7
61.98826	1.9
69.47613	2.3
69.48041	1.9
71.01370	0.5
72.99319	0.6
78.95905	30.9
80.96516	1.3
81.38134	0.6
83.18231	0.5
109.02952	0.5
109.51788	0.5
122.98490	0.8
132.84947	0.5
133.02950	2.4
134.03708	1.8
135.04192	0.7
137.02425	0.9
147.04546	1.0
148.63885	0.5
152.99603	3.4
161.02448	2.9
162.03178	0.8
168.04286	4.1
177.01863	0.7
178.02663	1.3
179.03191	0.9
224.06905	10.3
242.07983	3.3
253.21733	4.1
259.20740	0.7
269.08313	0.8
270.08282	0.7
275.09225	1.9
276.09531	1.6
277.21713	100.0
278.22086	7.0
478.29269	0.8
502.29388	77.7
503.29736	8.4
552.25421	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	552.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
65.49146	0.7
71.01376	2.5
71.63246	1.2
78.95907	0.9
78.98580	1.7
79.95737	3.3
80.35396	0.8
80.96519	19.2
85.02937	0.9
94.98075	4.6
97.09497	0.9
100.21912	0.8
116.09133	0.8
125.02460	1.0
136.99216	0.8
148.99162	1.7
152.98596	2.1
164.98680	4.0
168.86772	0.8
225.00700	4.6
253.21811	1.1
471.34802	23.7
553.26770	32.6
553.35095	14.2
559.25201	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	552.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54136	0.5
56.75449	0.5
57.38635	0.6
60.38935	0.6
61.98831	100.0
71.01398	3.6
71.15246	1.2
73.02919	0.5
78.98595	2.6
79.95737	4.0
80.96514	30.5
87.00890	0.7
94.98091	6.8
96.96016	0.7
97.49055	0.8
101.02448	1.5
104.47750	0.5
106.98058	1.3
112.57578	0.5
113.13829	0.6
119.67976	0.6
122.97569	1.6
125.02431	1.0
130.18004	0.6
134.97580	2.9
148.99170	2.7
152.98651	2.7
164.98627	5.0
206.99617	1.3
225.00690	7.2
253.21846	1.1
299.04367	1.7
372.08603	0.6
407.16510	0.6
471.34750	11.3
553.26996	54.2
553.35120	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	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.84869	1.8
61.98828	7.1
65.38306	1.8
69.64251	7.9
69.64671	6.1
71.01385	15.1
72.99296	11.7
73.02944	6.4
73.30988	1.9
74.57526	1.9
81.03468	3.4
83.01371	3.6
85.02944	7.9
89.02454	3.1
93.03447	2.6
95.01422	3.0
99.00822	2.4
101.02463	12.7
103.31975	1.9
106.06628	3.2
108.02129	3.1
109.02942	14.4
111.00839	2.1
113.02454	7.1
117.03468	8.0
119.05034	8.0
121.02974	2.6
122.06163	3.3
123.04515	7.7
123.08234	2.2
133.02963	10.3
134.06143	13.2
135.04524	24.8
135.06456	4.8
137.02448	3.2
145.02928	21.9
146.03720	7.8
147.04504	5.1
151.90852	1.9
152.01089	2.4
158.03766	3.8
159.04436	7.6
160.03996	3.3
161.02437	26.1
161.04420	2.9
163.04005	6.7
167.03529	8.8
173.06094	2.9
179.03493	7.9
197.04518	5.2
229.01337	3.9
241.05057	5.1
249.05322	2.5
256.11795	2.7
265.04999	4.1
266.05716	11.2
267.06656	9.2
268.07523	3.3
268.11823	2.3
281.08392	5.7
282.13159	2.0
283.09747	10.4
293.04480	3.3
294.05377	4.1
307.10992	3.1
308.11105	6.7
309.07800	4.0
315.05164	6.2
327.08505	4.6
353.06625	36.4
354.07150	4.2
371.07700	2.9
389.08627	4.6
403.18405	5.6
446.39191	2.0
447.17438	7.4
447.26138	2.7
465.27057	3.0
489.26724	5.7
491.28857	2.5
507.19601	15.3
507.27997	70.5
508.18198	4.7
508.28156	10.6
551.18402	16.9
551.30652	14.2
552.30908	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	551.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37273	0.6
59.01373	2.5
61.98835	23.5
63.26667	0.7
63.96241	1.4
71.01380	7.5
73.02936	2.1
78.95887	0.9
78.98592	6.8
79.59855	0.7
79.95737	11.2
80.96520	71.7
81.03439	1.2
85.02950	3.3
87.00858	2.9
94.98088	15.9
96.96008	0.8
97.02973	1.4
101.02430	3.2
101.91607	0.6
106.98083	4.0
107.25811	0.7
109.02923	0.7
116.21389	0.6
122.97570	3.3
125.02477	3.2
130.50531	0.6
132.02151	0.8
133.02940	2.1
134.03711	2.9
134.97609	4.9
136.99126	1.2
148.99167	5.6
152.98645	5.4
161.02415	2.6
162.03250	1.2
164.98645	11.2
177.01842	0.9
178.02654	1.0
187.22293	0.7
203.07303	0.8
206.99696	1.9
225.00754	12.6
229.68991	0.8
251.20175	2.3
253.21643	0.8
275.09293	3.1
277.21701	1.4
280.24417	0.7
299.04407	2.8
324.18192	1.1
397.73706	0.9
502.29230	1.4
534.35541	0.7
551.25287	100.0
552.25543	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	551.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.15031	1.3
61.98831	7.9
69.32861	14.4
69.33220	2.4
71.01385	14.5
71.89765	1.6
72.99314	5.9
73.02939	6.3
74.99123	1.8
83.01389	2.9
85.02950	5.7
89.02458	2.8
93.03450	3.1
95.01402	1.7
95.23493	1.4
99.00905	3.3
101.02457	11.3
107.62793	1.4
109.02942	6.4
113.02429	5.8
117.03465	7.0
119.05016	8.8
122.06136	2.0
123.04510	1.7
126.90514	2.3
133.02937	3.2
134.06129	7.0
135.04544	13.2
135.06517	2.7
136.60709	1.4
136.99139	2.5
137.02435	2.6
143.03468	1.9
145.02948	19.4
146.03647	3.1
147.04512	2.2
147.06308	1.3
150.03250	2.4
158.03766	1.6
160.04024	2.7
161.02440	10.0
161.04523	4.0
161.05992	1.9
163.04018	6.1
179.03477	4.7
184.06012	1.7
187.03943	2.0
197.04480	4.0
229.01270	1.5
238.08655	1.7
241.05089	4.0
255.11072	2.1
256.11789	2.2
257.10098	2.1
260.09106	1.4
266.05801	4.3
267.06546	2.8
267.11404	2.5
268.11850	2.1
269.04428	1.7
283.06671	1.7
283.09851	3.8
307.10873	3.5
308.11078	5.8
315.05008	2.0
327.08984	1.5
353.06659	15.2
368.13318	4.0
375.14047	1.5
389.08359	1.9
400.11978	1.9
418.53375	1.7
446.17474	1.9
447.17636	3.5
447.25885	2.6
452.54688	1.8
465.27106	2.2
489.26678	3.4
507.19687	8.2
507.28024	88.9
508.28375	10.2
525.32294	1.7
551.12012	2.1
551.18433	10.9
551.31042	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	551.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.5
59.01382	100.0
60.01714	8.8
61.01791	2.6
61.98836	7.8
65.66820	1.0
71.01383	11.6
71.65588	1.1
72.01704	1.5
72.99310	52.6
73.02937	2.7
81.03454	1.8
83.01386	1.9
85.02957	7.2
87.00849	1.4
89.02444	2.2
93.03442	1.8
95.01404	2.0
95.05026	2.0
99.00857	1.7
101.02447	4.6
102.02778	1.1
105.03487	2.3
107.05022	2.4
108.02130	2.6
109.02982	5.3
113.02470	9.3
114.02778	1.8
114.31831	0.9
117.03466	1.5
119.04994	1.1
121.02960	4.6
122.03764	1.7
123.04527	29.1
132.02139	1.1
133.02957	27.1
134.03777	4.8
134.06129	1.6
135.04526	35.3
137.02435	12.6
138.02766	2.0
139.04021	2.3
143.03441	2.0
145.02922	2.4
149.02463	2.0
149.06151	1.8
150.03241	1.3
151.04010	56.3
152.04352	1.8
152.07121	1.4
161.02448	78.5
161.04529	2.3
162.02774	2.4
177.01947	2.2
177.05540	3.9
178.02670	4.1
179.03499	26.7
180.03688	1.0
187.07587	1.2
193.03288	2.2
193.05055	44.9
195.02960	2.0
197.04546	32.4
221.04527	3.2
225.11276	5.5
239.05533	5.6
242.08279	0.9
257.08087	1.1
267.06659	1.5
300.26163	1.7
311.05481	1.6
313.06982	1.7
341.98203	0.9
345.30035	2.0
346.30478	5.7
347.30710	1.1
357.06161	7.8
359.07697	19.7
360.08023	1.9
389.08771	90.2
390.09012	6.1
403.47229	1.2
467.61209	1.1
472.32706	1.1
473.32138	2.4
489.33960	2.7
490.34454	21.7
491.34793	5.3
508.35635	6.8
509.35718	2.7
519.09149	1.9
551.11969	1.6
551.24573	1.5
551.32043	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	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89261	0.6
57.03454	0.6
58.00595	1.0
59.01381	32.9
61.98829	2.3
62.93684	0.6
68.03496	0.5
69.03461	0.7
71.00986	0.9
71.01382	15.9
72.99297	2.1
73.02956	3.3
76.35450	0.6
79.05540	0.9
81.03468	3.1
81.64383	0.6
83.01391	8.4
83.05025	2.6
85.02957	3.9
87.00893	2.0
88.98808	2.9
89.02446	24.4
93.03437	0.7
95.01384	0.9
95.05040	3.1
97.02959	0.7
98.20582	1.2
98.68880	0.8
99.04490	0.6
101.02451	10.6
107.05030	1.0
108.02179	27.0
109.02971	6.8
109.06570	2.3
113.02444	7.6
116.92857	0.8
119.03500	9.7
119.04977	1.2
121.02947	3.1
121.06664	0.7
123.04528	15.2
131.03506	0.9
133.02951	1.1
134.03671	0.6
135.04524	4.1
135.08162	2.6
137.02423	1.6
143.03465	1.8
145.02937	1.8
147.04567	1.1
149.04585	0.9
149.06097	0.9
151.03946	1.4
152.01155	56.7
153.01685	1.4
154.40681	0.6
159.04524	1.4
159.08144	1.5
160.01579	0.7
160.05240	1.2
161.02467	3.0
161.04535	1.8
161.06013	1.3
163.04015	0.8
165.05545	1.3
167.03496	100.0
168.03813	3.2
175.03978	1.5
175.07625	1.4
177.09207	9.7
178.09378	0.7
179.03514	1.1
179.05615	5.0
179.07077	0.9
185.83459	0.7
189.05580	2.2
190.06387	2.4
195.10301	2.0
197.04521	1.0
203.07069	4.3
205.08687	1.8
219.10194	0.8
221.08145	4.2
235.09828	1.5
236.78581	0.7
239.09261	7.1
243.10271	1.3
245.08211	2.5
263.09299	3.2
281.10333	1.0
287.09283	2.3
295.87167	0.6
305.10330	2.7
323.11295	1.7
326.11557	1.0
329.08749	1.1
341.14032	1.2
371.14978	9.6
372.15314	0.8
383.13391	6.0
387.16559	1.0
395.98746	0.6
503.15454	0.7
551.17090	7.5
551.30719	1.4
552.18274	0.6
570.26312	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	550.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69894	0.5
59.01379	3.4
61.01797	0.6
61.98831	100.0
64.15528	0.4
65.30846	0.5
69.43053	4.0
98.20583	0.8
117.69841	0.5
161.02338	0.5
165.88414	0.5
197.08128	0.5
214.73947	0.5
277.37854	0.5
328.28677	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	550.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93848	1.4
59.01374	3.5
61.98829	34.0
71.01382	7.3
71.48159	2.3
72.99295	2.0
75.00864	4.0
76.76581	1.5
78.98589	6.6
79.95720	9.5
80.96519	64.7
80.96999	3.2
81.96452	2.9
82.96106	4.4
85.02920	1.5
87.00869	1.8
94.98088	15.7
101.02454	3.1
105.98134	1.5
106.80710	1.5
106.98093	2.5
113.53803	1.5
122.97560	2.6
124.73945	1.6
125.02460	2.9
134.97554	3.4
142.46347	1.4
148.99167	3.1
152.98651	4.2
161.02431	2.1
164.98640	8.8
165.98953	3.2
192.48692	1.7
225.00781	8.3
226.01091	2.2
319.24902	1.8
419.23645	1.8
550.24054	100.0
551.24121	13.0
579.21613	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	551.1199
Annotation	Vitexin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
59.01382	14.8
60.01722	0.6
61.98835	3.7
63.02406	1.5
65.00333	1.0
69.03467	1.1
69.32130	3.1
69.32546	0.6
71.01382	2.4
72.99313	0.9
73.02944	0.9
75.00837	0.4
78.95908	1.1
79.01866	0.5
81.03485	0.5
83.01396	1.4
85.02960	1.5
87.00883	0.5
89.02435	0.8
93.03460	12.8
95.01401	1.0
95.05053	0.6
96.96023	1.2
97.02956	0.8
101.02448	2.1
107.01382	2.5
108.02179	1.3
109.02979	1.2
111.51219	0.4
113.02443	0.8
117.03469	3.5
119.05035	5.0
121.02944	0.8
123.00862	0.4
123.04528	1.1
125.02456	1.5
133.02977	1.5
134.03746	0.6
134.06172	0.4
135.00880	5.2
135.04538	5.2
137.02451	14.3
139.04010	1.2
143.03465	0.4
145.02960	0.9
147.04585	0.4
147.97006	0.5
149.02449	2.1
151.00328	1.2
152.01091	0.7
152.99591	1.8
157.06580	0.5
159.04547	1.6
160.01622	0.7
161.02464	4.3
161.04568	0.6
163.03972	3.4
166.02664	0.7
167.03514	5.2
169.06612	0.6
177.09131	0.6
179.03491	2.2
183.04472	0.6
195.10260	0.9
197.04495	0.6
197.06125	0.6
201.05620	0.5
203.86198	0.3
225.05548	1.6
225.82680	0.4
240.04263	1.0
267.06613	0.4
268.03790	12.5
269.04538	100.0
270.04892	6.5
281.06668	1.5
283.06235	0.6
311.05594	1.3
463.20734	0.5
473.32632	0.5
491.33139	0.5
551.11871	68.6
551.18616	2.8
552.12274	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	550.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90476	3.6
59.01382	11.5
61.98833	100.0
71.65976	6.6
72.99306	6.1
79.95752	7.4
80.96515	29.2
87.98303	4.4
93.03463	4.0
94.98101	8.3
98.84264	3.4
102.16441	4.4
105.03471	7.4
109.02959	12.7
133.02982	37.7
134.03746	46.0
135.04564	12.5
137.02440	9.6
147.04553	11.6
159.04518	16.8
160.01680	12.1
161.02461	21.9
162.03203	11.2
164.98639	7.2
177.01924	7.7
178.02724	24.0
179.03471	9.6
212.09126	4.7
225.00777	5.6
231.10214	13.0
257.08093	7.0
269.08160	17.8
275.09256	46.0
384.12454	3.8
487.34445	9.6
488.34750	6.4
503.62808	4.2
518.92981	4.4
551.25104	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.4
59.45995	3.4
61.98833	100.0
68.77760	3.3
69.63347	19.0
71.01390	6.3
79.95757	6.5
80.96513	37.6
94.98112	4.9
96.14452	3.9
96.96024	6.9
105.89332	3.3
125.67487	3.5
131.67461	3.3
133.02956	4.5
162.03186	4.4
164.98611	5.6
179.03632	4.2
202.07921	4.5
208.31224	3.8
225.00706	6.0
277.21634	5.1
465.37613	3.5
487.34372	12.4
551.25085	55.2
551.31818	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	550.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62695	0.2
61.98833	100.0
69.59232	0.2
71.12429	0.4
83.74757	0.2
86.07240	0.2
89.07539	0.2
91.69425	0.2
96.96015	0.3
113.02474	0.3
119.05043	0.5
154.87729	0.2
163.04010	0.7
179.05595	0.2
325.09409	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	550.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
61.98831	100.0
71.11143	1.4
186.96907	0.7
206.48479	0.6
266.47583	0.6
357.71631	0.7
372.61618	0.7
466.01312	0.7
469.33432	2.4
551.25909	0.8
551.33673	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	550.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28277	0.2
59.01398	0.9
61.98832	100.0
69.44270	0.8
69.44704	0.9
71.01382	0.4
72.99311	0.2
75.43183	0.2
78.98627	0.3
79.95743	0.4
80.96516	3.0
84.99431	0.2
87.00909	0.4
94.98109	0.7
95.11042	0.2
96.96044	0.3
101.02435	0.2
109.02979	0.3
121.02973	0.3
133.02931	1.2
134.03749	1.4
135.04558	0.7
137.02467	0.4
147.04582	0.6
147.17136	0.2
148.99078	0.2
152.98640	0.2
159.04520	0.3
160.01663	0.3
161.02422	1.1
162.03233	0.9
164.98601	0.5
173.24220	0.2
177.02011	0.5
178.02744	0.9
179.03519	0.5
189.36830	0.2
198.93999	0.2
219.58690	0.2
224.98038	0.2
225.00839	0.7
251.20309	0.4
252.20547	0.4
253.20911	0.4
269.08386	0.3
275.09274	1.9
435.58945	0.2
514.45044	0.2
515.85205	0.2
551.24994	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	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.64471	0.4
56.69041	0.4
57.03451	1.8
58.00625	0.4
59.01381	100.0
60.01722	1.0
61.98822	0.5
69.03465	0.7
69.54118	0.4
71.01388	12.4
71.01759	0.8
72.99339	0.9
73.02952	3.6
83.01405	2.2
85.02955	7.0
87.00887	1.0
89.02450	2.7
95.01389	2.2
97.02942	0.9
99.00881	2.3
101.02447	5.8
111.00871	1.1
113.02442	8.2
113.03205	0.4
115.04029	0.6
119.03514	0.9
123.12922	0.5
124.01606	0.6
125.02493	1.3
133.02997	0.5
134.41426	0.4
135.04588	0.4
137.02473	0.8
143.03479	3.9
145.02997	1.5
152.07191	0.6
159.03018	0.6
160.01747	0.7
161.02489	1.2
161.04601	1.8
171.13950	1.1
175.03922	0.7
209.19174	0.5
249.56216	0.4
293.09317	0.5
299.26022	1.8
345.30093	13.3
346.30615	1.0
387.31390	0.6
441.32693	0.6
489.34329	32.8
490.34528	4.1
505.28510	0.9
507.35382	13.9
508.36115	1.2
518.19659	2.1
549.23901	0.9
549.36688	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	550.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
61.98831	100.0
71.01388	0.8
71.45139	0.3
78.95912	0.4
83.69806	0.3
88.48758	0.3
89.02444	0.8
96.96010	4.0
96.96999	0.7
101.02453	0.7
109.02996	0.5
113.02474	0.5
116.92824	0.3
117.03448	0.3
119.03539	0.4
119.05025	1.4
120.51038	0.2
124.33498	0.2
144.51465	0.2
145.02968	1.3
147.04578	0.3
161.06075	0.3
163.04019	1.9
163.25558	0.2
170.60225	0.2
187.03979	0.5
283.07379	0.3
439.35062	0.3
487.14737	1.1
550.22131	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	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03445	1.4
58.00617	0.5
59.01379	100.0
60.01722	0.9
61.98841	1.6
66.92653	0.3
69.03452	0.4
69.59161	2.4
71.01379	10.0
72.99294	0.6
73.02945	2.5
83.01379	2.6
85.02947	6.6
87.00892	1.0
89.02438	2.6
93.03459	2.4
95.01420	1.5
97.02954	0.9
98.19781	0.6
99.00893	1.2
101.02447	5.5
111.00918	0.6
113.02450	9.6
115.04057	0.4
119.03540	0.7
125.02449	0.6
135.04564	0.8
137.02449	6.5
143.03462	1.7
145.02946	1.6
148.79341	0.4
158.00902	0.4
159.03067	0.4
161.02490	1.2
161.04541	2.8
171.13997	0.3
176.22269	0.4
257.17593	0.5
272.61807	0.3
299.26065	1.0
327.29285	0.5
345.30075	6.7
345.33771	0.6
346.30386	0.6
405.28171	0.4
423.29196	0.6
468.17041	0.4
471.31189	1.7
489.34323	27.6
490.34644	3.3
505.21082	0.6
505.28308	0.6
507.35309	11.9
508.36130	1.7
518.19592	0.5
520.54138	0.4
549.24097	0.4
549.35742	1.1
550.22180	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	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.21260	0.1
57.03442	1.4
58.00611	0.2
58.94693	0.1
59.01379	100.0
60.01711	0.8
61.98828	0.4
69.03463	0.5
71.01383	8.6
72.99313	0.3
73.02944	1.9
83.01381	2.0
83.01850	0.1
84.02236	0.1
85.02950	6.5
86.00098	0.2
87.00886	0.4
88.98820	0.5
89.02438	1.0
93.03471	0.9
95.01378	1.4
97.02955	0.5
98.19826	0.2
99.00884	1.3
101.02441	4.6
111.00896	0.4
111.08148	0.2
112.01715	0.3
113.02451	6.5
114.02746	0.2
115.04041	0.5
119.03535	0.3
124.01665	0.3
125.02459	0.8
127.11298	0.5
129.01981	0.2
130.65167	0.1
135.04482	0.2
136.57574	0.2
136.96693	0.1
137.02449	2.3
137.09711	0.2
143.03500	2.2
145.03020	0.1
155.10739	0.2
159.02983	0.3
161.02458	0.1
161.04543	1.2
171.13895	1.2
223.20654	0.2
265.21780	0.1
279.23413	0.3
281.24957	0.2
297.24463	0.2
299.25888	2.5
300.26172	0.1
327.28760	0.2
343.28439	0.2
345.30072	11.9
346.30481	1.2
387.30978	0.3
414.18103	0.2
415.30823	0.3
441.32275	0.4
442.32751	0.1
453.32257	0.2
458.16879	0.1
459.33133	0.6
489.34311	28.6
490.34702	3.3
490.41843	0.2
507.35345	7.7
508.35748	0.8
518.19696	0.2
549.36505	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	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22506	0.2
55.01876	1.0
57.03448	1.8
57.52901	0.2
58.00597	0.6
59.01382	100.0
60.01719	1.0
68.99829	0.2
69.03448	0.5
69.41048	0.3
69.41381	1.4
71.01385	17.3
72.99310	0.7
73.02950	4.4
74.02486	0.3
75.00886	0.3
77.54848	0.1
83.01389	3.2
85.02953	10.2
86.00131	0.5
87.00885	0.9
89.02441	2.3
95.01389	2.2
97.02946	0.8
98.19898	0.4
99.00894	2.0
101.02444	8.6
102.02780	0.2
111.00872	1.0
112.01664	0.2
113.02456	9.3
114.02815	0.2
115.04005	0.5
119.03542	0.9
122.06099	0.3
124.01675	0.3
125.02447	0.8
129.01962	0.2
133.02988	0.3
135.04535	0.3
137.02403	0.2
143.03506	1.8
154.99757	0.2
159.03004	0.7
161.02432	0.5
161.04561	3.9
161.05858	0.3
171.13904	0.7
180.27779	0.2
213.18614	0.5
288.67014	0.2
299.25928	1.4
327.28967	0.3
343.28470	0.2
345.30099	4.0
346.30490	0.5
387.16620	0.3
387.30920	0.3
391.13739	0.2
406.97269	0.2
415.30777	0.2
441.32294	0.4
459.33292	0.4
471.32458	0.2
489.34341	41.6
490.34686	4.8
505.28500	0.3
507.35370	21.7
508.35754	2.7
518.16205	0.2
549.36475	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	549.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88316	0.7
59.01382	100.0
60.01714	0.9
61.98841	6.3
70.45461	0.7
72.99329	1.8
84.13943	0.8
98.20627	1.8
121.02969	6.7
133.03024	2.2
135.04575	2.7
137.22081	0.8
145.03008	1.0
154.92911	0.8
161.02449	5.1
165.01994	2.8
174.03389	0.8
179.03554	3.0
241.08844	0.7
265.05005	1.0
267.06812	1.1
311.05756	1.0
343.07904	0.8
372.23273	2.2
387.25830	0.9
425.27542	1.1
455.31665	10.1
456.28876	0.7
456.32111	1.0
471.31137	6.9
471.36505	0.8
549.10986	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	549.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84560	0.4
59.01381	100.0
60.01721	1.3
61.98832	6.3
65.00977	0.4
68.33022	0.4
71.01385	2.5
71.05027	0.7
71.64384	0.6
72.99320	1.7
73.02954	0.8
85.02962	1.1
88.98862	0.4
89.02476	0.7
93.03500	0.5
101.02463	1.4
113.02457	1.1
119.05035	0.5
123.04536	0.5
133.02954	2.3
134.03761	0.6
135.04550	2.8
137.02486	1.0
143.03575	0.5
145.02950	1.5
149.02431	0.5
149.09779	0.5
150.03249	0.9
151.03987	0.4
161.02437	4.5
161.04567	0.5
162.03275	1.0
163.04025	0.9
175.03992	0.7
179.03540	1.6
190.02742	1.1
201.09322	0.6
215.07170	1.2
219.10240	0.5
229.08781	0.8
233.15556	0.9
243.19965	0.5
328.80728	0.4
335.13022	0.7
345.30164	0.8
405.27982	0.8
407.26236	0.9
423.29050	17.4
424.29471	2.1
445.31375	0.4
471.31610	1.7
489.32208	32.9
490.32559	4.1
507.35428	1.4
549.21112	0.6
549.34247	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	549.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45036	0.4
57.03468	0.7
57.80853	0.4
59.01381	100.0
59.40306	0.4
60.01720	1.3
60.50336	0.4
61.98838	3.7
71.01381	3.1
71.05041	0.5
72.99309	0.7
73.02951	2.4
83.01404	0.8
85.02977	1.4
89.02455	1.3
89.29259	0.4
93.03510	0.5
101.02481	1.7
108.02193	0.9
109.02953	1.3
113.02460	1.7
117.03494	0.8
124.01724	0.5
133.02962	2.1
134.03770	0.6
134.06093	0.7
135.04535	2.7
136.07709	0.7
137.02534	0.6
138.01981	7.6
143.03500	0.4
145.02936	1.0
149.02449	0.4
153.01962	0.6
154.84279	0.4
159.04494	0.6
161.02448	3.3
163.04028	1.0
179.03517	1.6
184.14531	0.5
187.03966	0.8
187.07642	0.6
190.02647	0.7
191.03456	0.8
201.05638	0.6
215.07133	0.4
219.13930	0.4
230.09415	0.6
250.12032	0.6
259.58273	0.4
267.06564	0.4
345.29990	0.7
364.13382	0.6
376.37704	0.4
387.25562	0.9
399.25858	0.6
407.26019	0.5
411.16296	0.5
441.26468	1.4
452.17102	0.5
471.31134	30.5
472.31473	3.8
486.16864	1.1
489.32516	15.0
490.32568	2.0
507.35410	2.2
520.80811	0.5
549.22369	0.6
549.34296	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	549.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77691	0.5
55.76448	0.5
59.01382	10.4
61.98824	2.3
71.01374	0.8
72.99314	2.1
73.02966	2.6
75.00874	100.0
76.01200	0.9
98.20619	1.4
101.02477	0.6
106.04318	0.5
106.90199	0.5
109.03013	0.5
133.02963	1.8
135.04541	2.8
145.02991	0.7
146.03741	0.5
161.02432	4.5
162.02748	0.7
179.03468	2.1
203.07198	1.1
220.61890	0.6
229.08641	0.8
267.06549	0.7
489.33896	1.3
496.54300	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	549.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01382	100.0
60.01712	0.6
61.98838	1.8
69.03458	0.5
69.49860	2.8
71.01384	2.3
72.99315	0.4
73.02952	3.9
75.99354	0.4
83.01387	1.7
83.05032	0.6
85.02951	0.6
89.02442	0.9
93.03475	1.0
96.99376	0.4
99.04545	1.5
101.02448	2.6
101.06097	0.6
109.02946	0.4
113.02460	1.6
117.05579	3.8
119.05025	6.9
120.05389	1.0
121.05802	0.4
126.90531	0.4
133.02969	1.8
135.04541	1.7
137.02477	1.7
145.02971	0.6
159.06769	0.4
161.02449	3.8
163.04004	5.0
164.04385	1.1
165.04538	0.6
165.12851	0.8
179.03543	0.5
207.13991	1.3
209.11786	4.0
225.15007	1.0
251.12892	0.9
269.13913	16.0
270.14282	1.7
288.30692	0.4
387.16553	1.3
429.17340	0.5
489.32321	3.6
505.26331	2.5
549.19000	1.3
549.25391	6.6
550.26062	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	549.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01382	97.7
61.98840	1.7
62.35845	0.6
66.89632	0.5
69.48100	5.0
71.01369	1.1
71.05032	4.0
72.99327	0.9
76.73524	0.6
87.32079	0.6
97.06538	0.9
98.19807	1.1
110.54626	0.7
111.08213	0.7
135.04541	1.5
155.10773	3.0
161.02464	2.2
179.03487	1.1
187.07562	0.7
203.07292	0.6
240.13974	0.6
257.15408	1.1
286.97415	0.6
389.24667	1.2
405.23367	0.8
405.28119	6.5
406.27945	0.6
407.25922	3.1
409.23657	1.8
423.29065	21.0
424.29123	1.6
425.26987	2.9
439.28503	1.8
441.30093	23.5
442.30423	2.8
489.32217	100.0
490.32532	14.9
529.49078	0.7
549.34619	1.2
555.85748	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	549.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.35566	0.2
60.01718	0.7
61.98836	0.7
69.74686	0.7
69.75100	0.6
71.01367	0.3
78.95905	0.3
80.13387	0.2
88.98828	0.4
89.02454	0.2
93.03467	1.1
98.19875	0.5
109.02972	0.3
110.78394	0.2
113.02481	0.4
133.03000	0.3
135.04543	1.0
137.02455	2.1
137.06084	0.6
145.02989	0.2
147.61795	0.2
152.99615	0.4
156.39767	0.2
158.85268	0.2
161.02469	0.9
163.04036	0.2
179.03534	0.2
196.11368	0.3
294.10275	0.2
311.05603	0.3
330.85324	0.2
385.23932	1.7
387.25168	0.4
389.23434	0.4
399.25735	0.4
411.17026	0.2
419.24350	5.6
420.24771	0.3
463.22473	0.3
471.31155	6.4
472.31586	1.0
489.32358	0.5
549.21252	0.4
549.34387	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	549.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07954	0.2
53.30774	0.2
55.01893	0.2
57.03457	0.4
58.00588	0.4
59.01382	100.0
60.01713	0.6
61.98846	1.6
67.17215	0.2
71.01390	5.2
72.99303	2.1
73.02960	0.8
83.01414	0.6
85.02956	1.4
85.13491	0.2
88.59504	0.2
88.98808	1.2
89.02448	5.3
93.03427	0.5
94.98105	0.5
95.01425	0.5
99.00896	0.4
101.02441	4.1
107.48590	0.2
109.02938	0.4
112.67535	0.2
113.02460	2.8
117.03555	0.2
119.03511	1.9
119.05028	0.5
123.04550	0.3
124.04070	0.4
126.90531	0.3
132.02191	0.9
133.02957	19.3
134.03357	0.7
134.06108	1.5
135.04530	4.4
137.02466	0.4
138.05603	0.3
143.03500	0.2
145.02901	0.3
145.10321	0.4
160.04111	0.3
161.02446	58.6
162.02791	2.4
163.03972	0.4
163.11285	2.4
165.05608	0.9
177.05635	0.4
179.03514	2.8
184.06200	0.2
207.10272	4.3
210.07248	0.2
253.04912	0.3
255.11453	0.5
267.11432	0.5
269.13867	0.2
307.10928	0.6
307.20767	0.4
308.42456	0.3
351.23361	0.8
387.16592	45.3
388.16953	4.3
388.24973	0.3
417.26456	2.8
446.17075	0.5
489.17429	0.3
489.32449	2.1
505.26657	0.5
506.19391	1.7
507.17987	0.3
507.27405	0.2
532.17957	0.4
549.19879	24.0
549.29065	4.4
550.20001	4.3
550.28662	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	549.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05138	0.2
55.09296	0.2
57.03443	0.5
59.01380	100.0
60.01710	1.1
61.98836	1.3
63.88322	0.2
71.01384	5.7
71.66464	0.3
72.99310	1.8
73.02963	0.7
81.03458	0.2
83.01395	0.7
85.02943	1.3
87.00885	0.4
88.98797	1.3
89.02439	5.0
90.02756	0.2
93.03446	0.4
94.98102	0.2
95.01413	0.4
98.03722	0.3
101.02441	4.0
105.03499	0.3
107.04987	0.2
107.08020	0.2
108.02184	0.3
109.02954	0.4
112.04008	0.3
113.02447	2.6
117.03474	0.4
119.03512	2.0
119.05029	0.8
122.06184	0.2
123.04529	0.3
124.04040	0.5
132.02161	0.9
133.02957	16.2
134.03258	0.5
134.06137	1.4
135.04532	3.7
137.02466	0.2
145.02962	0.6
147.04497	0.2
149.06055	0.3
151.04056	0.2
152.01131	0.3
152.44035	0.2
160.01669	0.4
160.03996	0.5
161.02440	48.3
162.02798	1.8
163.04001	1.0
163.11282	2.1
165.05568	0.7
173.02545	0.2
177.05630	0.5
179.03519	2.0
184.06126	0.3
189.01910	0.2
193.04959	0.3
207.10255	3.5
210.96793	0.2
225.11235	0.3
255.11320	0.7
267.11374	0.5
279.11478	0.2
281.06656	0.3
299.10184	0.2
307.10858	0.6
333.22552	0.3
345.87561	0.2
351.23343	0.7
365.11362	0.2
367.13037	0.3
387.16583	36.8
388.16858	3.5
402.18103	0.5
403.15988	0.4
417.26385	2.6
418.26807	0.3
446.17340	0.6
462.20135	0.3
472.15189	0.2
489.17664	0.4
489.26624	0.3
489.32431	2.0
505.26996	0.4
506.19257	2.0
507.27734	0.6
532.16962	0.2
549.19751	19.7
549.28973	5.8
550.19775	3.9
550.29382	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	549.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.2
61.98831	3.2
68.68337	0.6
69.03436	0.7
71.01387	15.5
71.32010	0.6
71.32469	0.5
72.37091	0.6
72.99289	0.9
73.02945	4.2
83.01376	1.6
85.02942	4.5
86.00049	0.6
87.00871	2.5
89.02447	11.5
95.01389	0.9
98.20605	2.3
99.00865	1.1
101.02448	11.6
113.02440	6.6
119.03505	4.5
125.02441	0.9
131.03503	3.7
142.85162	0.6
143.03490	1.5
145.26463	0.6
158.98206	0.6
159.02942	0.9
161.04547	5.9
163.11293	1.9
177.09195	0.8
178.63129	0.6
179.05646	2.9
195.06575	0.6
207.10233	2.7
221.06610	7.0
229.73517	0.6
266.64618	0.7
478.19507	0.6
549.21881	100.0
550.22296	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	549.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37795	0.5
57.47052	0.5
59.01377	1.8
60.56918	0.5
60.61565	0.5
61.98833	29.5
63.96246	1.1
68.57583	0.5
69.03448	0.6
71.01391	8.6
71.39732	0.6
73.02950	1.8
77.88962	0.4
78.98592	5.4
79.95741	9.3
80.96520	68.5
83.57087	0.5
85.02964	2.9
87.00863	2.4
91.04799	0.5
94.98093	15.8
96.96039	1.2
97.02950	1.9
98.20325	0.7
99.00882	0.7
101.02451	2.4
106.98098	3.1
111.61549	0.5
113.02458	0.6
118.16735	0.5
122.97587	3.5
125.02446	1.9
130.78014	0.5
134.97594	5.1
136.99153	1.3
148.99147	5.9
152.98643	4.8
164.98640	10.4
182.33435	0.5
206.99706	2.3
225.00739	11.5
249.18553	0.8
299.04413	1.8
337.92938	0.6
380.03900	0.5
536.91620	0.5
549.23749	100.0
550.24152	10.2
550.32532	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	549.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
61.98851	0.5
63.96231	1.5
69.03462	0.7
71.01386	7.1
71.39884	0.9
72.99299	0.7
73.02940	1.3
78.98596	6.1
79.95741	11.1
80.96519	64.9
81.03456	0.8
83.01396	0.5
85.02945	2.3
87.00890	3.1
90.02290	0.4
91.65469	0.4
94.98090	14.3
95.01411	0.4
96.96015	1.7
97.02950	1.3
99.00869	0.4
101.02440	2.1
106.98091	2.9
122.97577	2.3
124.81971	0.4
125.02445	2.9
127.03945	0.6
134.97583	4.1
136.99139	1.3
146.97591	0.5
148.99170	5.2
152.98653	4.9
158.18657	0.4
161.02400	1.0
164.98645	10.3
167.00093	0.5
206.99686	2.1
225.00729	11.3
249.18661	0.9
251.20038	0.6
255.41338	0.4
261.48431	0.4
266.05972	0.5
277.18048	0.7
299.04428	2.9
318.30496	0.5
528.23676	0.4
549.23737	100.0
550.24152	11.4
550.32599	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	549.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98825	0.3
64.49429	0.2
71.01385	0.6
71.62769	0.2
73.02971	0.2
78.95911	2.3
79.95734	2.7
85.02982	0.3
86.75627	0.2
87.00851	0.2
89.02457	0.2
93.03443	0.2
96.96011	100.0
96.96895	4.3
97.95928	0.2
101.02419	0.4
113.02438	0.4
119.05013	0.9
128.66632	0.1
135.04559	0.4
145.02962	0.4
161.02446	0.6
161.04558	0.2
163.04028	1.6
387.16443	0.2
490.30765	0.2
549.21399	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	549.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.0
61.24664	0.5
61.98838	1.4
71.01387	1.6
71.48708	0.7
71.90898	0.5
72.99306	0.7
73.02950	1.1
85.02930	0.5
89.02441	2.0
101.02450	2.7
113.02460	1.2
119.03504	0.6
121.02966	1.0
122.01431	0.5
135.04533	0.7
161.04483	1.0
232.47003	0.5
235.08229	1.4
253.09290	12.3
253.21718	100.0
254.09535	0.5
254.22035	5.4
534.65210	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
54.32370	0.3
55.01876	0.4
55.66053	0.3
57.03440	0.5
59.01380	100.0
60.01711	1.0
61.98830	1.4
69.42133	2.7
71.01380	3.7
71.05049	0.3
73.02943	1.4
83.01398	1.1
85.02954	2.6
85.27195	0.3
89.02464	0.7
93.03451	2.7
99.00923	0.7
101.02432	2.1
104.69887	0.3
108.02184	0.5
109.02995	0.4
111.00952	0.3
113.02472	3.1
123.04556	0.4
125.02470	0.7
133.02960	0.5
135.04530	1.0
135.15758	0.3
136.86659	0.3
137.02452	4.5
143.03468	0.5
145.02931	0.4
148.05315	0.5
152.01170	0.7
152.99539	0.3
155.10870	0.5
161.02435	1.4
161.04570	1.3
163.04060	0.3
163.07643	0.4
179.03577	0.5
242.55566	0.3
257.15460	0.9
299.25934	0.5
311.05615	0.3
345.30042	3.4
346.30820	0.5
355.22723	0.6
423.29224	0.8
441.30505	0.8
446.73270	0.3
489.33374	15.4
490.33484	1.8
507.35406	4.5
508.35941	0.6
520.99921	0.3
549.20184	1.3
549.34692	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	549.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94561	1.2
59.01090	2.7
59.01382	46.4
60.99311	16.1
61.98833	12.4
69.65620	6.4
69.66029	2.6
70.45690	1.1
71.01382	11.2
71.05019	1.3
71.05390	1.2
72.99306	3.6
73.02959	6.9
75.55306	1.3
80.22002	1.3
83.01398	3.0
83.32814	1.2
85.02950	3.6
87.00918	1.3
88.98808	100.0
89.02443	2.1
89.99109	1.9
93.03451	3.4
101.02455	7.8
109.02962	3.3
113.02443	3.9
119.05017	9.4
121.02971	1.4
125.02553	1.5
126.90451	1.9
133.02931	8.3
135.04538	16.0
136.01657	9.1
137.02481	17.4
145.02933	8.3
147.04543	2.4
149.09680	1.4
151.00323	1.3
151.04005	14.7
152.01106	1.3
161.02451	24.5
161.04495	2.2
163.04059	8.6
166.02705	4.1
179.03455	6.0
181.05037	5.8
200.53674	1.7
225.11281	5.2
255.11122	1.3
267.06589	1.7
282.06934	1.3
285.74808	1.4
307.08453	1.5
327.22070	1.5
344.11890	1.7
345.12592	2.8
353.51590	1.3
357.09695	3.6
372.12048	2.1
387.14319	17.0
403.16217	2.1
489.27161	2.3
505.26639	4.1
506.19693	1.6
507.27341	1.8
549.22162	9.3
549.30157	25.6
550.29919	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	549.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66916	1.1
59.01381	23.9
60.99309	15.1
61.98831	16.5
71.01395	5.1
71.63000	1.5
72.99345	1.2
73.02927	2.6
85.02976	2.1
88.98810	100.0
89.02437	2.0
101.02448	4.3
109.02927	1.4
113.02431	3.1
117.03518	1.4
119.05042	6.3
126.90499	4.2
133.02927	3.6
135.04549	8.1
137.02452	8.5
145.02954	3.1
151.03850	1.1
161.02419	6.7
161.04544	1.5
163.04010	3.0
179.03517	6.1
192.75832	1.0
266.22672	1.0
393.00647	1.0
455.32639	1.1
463.24432	1.3
505.26630	2.3
549.21851	2.8
549.29791	13.9
550.29419	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	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51208	0.6
59.01383	100.0
60.01703	0.8
61.98841	3.0
66.63515	0.6
69.03476	0.6
71.01390	9.2
71.64532	0.9
72.99313	1.2
73.02966	3.3
75.00872	0.9
83.01398	1.3
85.02975	2.4
87.04531	0.7
89.02448	10.2
93.03474	0.8
94.99663	0.7
101.02448	8.7
109.03003	0.7
111.00874	0.6
113.02444	5.1
117.03453	0.8
117.05630	0.7
117.20592	0.6
119.03526	3.8
119.05030	2.2
123.04527	0.8
132.02208	1.9
133.02959	32.4
134.03694	1.1
135.04521	5.8
137.02458	1.8
145.02954	1.3
152.01196	0.7
159.02928	0.6
161.02451	95.0
162.02803	3.4
163.03978	1.6
163.11363	3.9
163.89076	0.6
165.05495	0.9
179.03464	2.9
207.10257	7.6
209.11641	0.8
244.68507	0.7
269.13962	2.7
283.19177	2.0
288.38538	0.6
301.20251	0.7
348.19287	0.6
387.16614	79.1
388.16904	7.5
419.24350	1.9
429.17337	0.6
437.26645	0.7
445.24405	0.9
463.25696	1.8
489.17288	0.8
489.32239	2.0
505.26566	12.5
506.26541	0.9
519.29584	3.0
549.19788	45.4
549.30145	12.5
550.20093	5.6
550.28436	0.8
550.31268	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	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88362	0.4
55.78511	0.4
57.03444	1.3
59.01380	29.0
61.98825	2.0
65.03967	0.9
70.33427	0.4
71.01385	2.3
71.05002	0.4
71.41551	0.4
72.99314	2.0
73.02937	3.1
73.15490	0.4
83.01386	4.7
83.05022	1.6
84.38891	0.4
85.02944	0.9
87.00879	2.4
89.02453	0.4
93.03458	92.7
94.03798	1.7
95.05023	0.6
97.06607	1.3
101.02452	2.9
107.05039	3.2
107.87586	0.4
108.02165	0.5
113.02457	1.6
117.03506	0.5
119.05046	1.4
120.05799	1.4
121.02957	0.5
123.04538	0.7
133.02962	1.3
135.04510	2.6
135.08067	0.5
137.02444	100.0
138.02794	2.1
141.01868	0.4
145.02937	1.1
147.08134	0.6
149.06070	0.8
159.08250	0.4
159.11807	0.5
161.02452	3.9
161.04544	0.6
161.09720	5.5
161.13362	2.7
162.88560	0.5
163.04010	1.1
163.11281	1.6
169.10185	0.5
179.03522	0.6
179.10767	0.6
187.07799	0.7
187.11292	8.2
189.09230	5.3
203.10799	1.6
205.12320	3.1
207.10234	3.6
213.09125	0.5
223.13394	3.8
229.12436	0.8
231.10266	3.4
249.11305	5.8
262.45779	0.4
267.12415	3.6
271.13382	0.7
273.08746	0.7
273.11383	1.6
283.19183	1.2
291.12408	1.8
293.10333	1.7
303.21606	0.8
309.13330	1.0
315.12540	1.6
325.12845	1.1
333.13428	2.1
339.23380	0.5
351.14752	1.0
387.16531	1.3
403.16150	0.8
411.16623	11.0
412.16965	0.8
463.25751	0.6
489.31161	0.5
505.26489	3.5
549.20026	19.0
549.30743	7.7
550.20013	2.5
550.30194	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	549.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88221	0.4
58.00597	0.8
59.01383	56.8
64.98783	0.4
69.23959	0.4
69.79092	1.9
69.79520	1.0
71.00996	0.5
71.01385	8.4
72.24284	0.4
72.99319	0.6
83.05048	0.4
85.02971	1.6
88.98829	2.5
89.02442	9.0
89.76014	0.4
95.60239	0.4
100.41200	0.5
101.02440	6.7
105.03471	0.5
113.02422	2.5
119.03500	3.7
128.18005	0.5
132.02148	1.6
133.02959	32.3
134.03371	0.6
134.06087	1.3
135.04532	5.7
143.03540	0.5
157.88693	0.4
161.02446	100.0
162.02776	3.9
163.11264	4.0
165.05530	0.5
175.27707	0.4
177.05560	0.8
179.03511	3.2
207.10275	8.2
221.04491	0.9
267.11197	0.5
307.11011	0.9
338.81689	0.5
387.16599	80.7
388.16934	7.0
417.26297	1.0
489.17844	1.2
506.19403	1.0
531.19012	0.7
549.19800	48.6
549.28223	1.8
550.19904	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	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28945	0.4
55.97469	0.4
57.03451	1.5
59.01086	0.8
59.01380	12.6
59.28029	0.4
61.98828	2.6
64.76288	0.4
65.03970	0.5
66.21667	0.3
69.03420	0.4
71.01389	2.8
72.99304	1.2
73.02944	2.5
74.56644	0.3
79.63285	0.4
83.01385	5.0
83.05029	1.3
85.02959	1.0
87.00867	2.4
89.02448	0.9
93.03458	96.9
94.03807	2.4
97.02923	0.4
97.06592	0.8
101.02452	2.7
107.05038	2.9
109.02917	0.5
109.06614	0.5
111.00932	0.6
113.02437	1.0
116.10004	0.4
119.05025	15.9
120.05780	1.3
122.03701	0.5
123.04520	1.0
123.08080	0.4
125.06098	0.6
132.83681	0.4
133.02960	1.3
135.04526	4.0
135.08202	0.6
137.02443	100.0
138.02805	2.4
141.05518	0.5
145.02950	1.1
147.08150	1.0
149.06099	0.6
152.04749	0.7
154.89876	0.4
157.06549	0.5
159.11774	0.4
161.02444	3.1
161.09731	4.9
161.13321	2.2
163.04008	9.5
163.07712	0.8
163.11276	1.5
169.10283	0.5
169.36105	0.4
173.92928	0.4
179.03552	0.8
179.10770	1.0
187.11279	6.8
189.09209	4.9
197.11737	0.4
203.10808	1.3
205.12325	3.9
207.10251	2.6
207.11963	0.5
213.09074	0.4
223.13383	2.8
229.12416	0.7
231.10236	2.8
232.10423	0.5
247.13680	0.5
249.11278	4.7
267.12424	3.3
273.11328	1.4
291.12344	1.7
293.04523	0.4
299.07672	0.7
309.13272	0.5
311.05322	0.4
315.12384	1.1
325.12894	0.6
333.13480	1.4
337.03485	0.7
351.14532	1.0
385.14960	1.0
387.16473	1.2
411.16586	10.5
412.16544	0.4
505.26523	1.2
549.19696	24.6
549.30548	1.1
550.20288	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	548.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
61.98830	100.0
69.44633	0.7
69.45061	1.1
72.63331	0.2
72.99323	0.3
75.00882	0.4
80.96513	0.3
110.09972	0.2
133.02956	0.3
135.04532	0.6
161.02483	1.0
163.95204	0.2
179.03465	0.4
181.37454	0.2
199.13446	0.4
203.23718	0.2
249.18694	0.5
250.19034	0.7
331.63596	0.2
465.15512	0.2
494.61929	0.2
549.23853	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	548.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98566	1.0
56.92247	0.8
59.01381	43.6
60.01709	7.7
61.01802	6.1
61.98831	100.0
66.67387	0.8
70.40506	3.4
84.95056	1.0
135.04570	1.8
145.02910	1.3
146.03296	0.9
161.02446	4.9
179.03488	2.5
286.05048	1.0
440.88910	1.0
541.73761	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	548.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13234	4.1
59.01134	5.0
59.01385	57.2
61.98520	5.4
61.98832	100.0
71.01368	6.0
71.11729	7.4
72.90558	4.8
72.99300	13.4
78.95879	4.6
89.02444	3.9
101.02390	4.1
109.02943	4.9
121.02959	45.7
133.02962	29.0
134.03694	3.9
135.04509	40.3
161.02444	52.8
162.02849	5.3
165.01933	28.5
179.03485	33.0
197.11858	8.2
202.06424	5.7
249.18585	83.3
250.18745	4.4
283.13315	8.6
295.82721	4.3
315.65311	4.1
327.15967	6.9
474.26266	28.1
549.10645	9.7
553.25903	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	549.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42670	0.3
59.01382	1.3
61.98836	0.3
72.99310	1.1
77.03969	1.9
79.76281	0.3
87.29015	0.3
93.03436	0.3
111.08134	0.5
121.02959	100.0
122.03276	2.7
133.02951	1.9
135.04527	2.9
136.04840	0.3
136.19325	0.2
161.02463	5.0
162.02769	1.0
165.01929	57.8
166.02290	1.9
173.06021	0.3
179.03520	3.9
179.04990	0.5
180.03818	0.5
180.05756	0.6
181.06578	2.3
197.06075	2.3
197.11841	0.4
202.06316	0.4
207.04529	1.1
223.03935	0.4
225.05547	1.8
251.07088	0.5
257.09720	0.5
283.13428	0.6
305.21201	0.3
313.07227	1.2
314.58707	0.3
327.16055	0.6
357.06406	0.6
383.07755	0.8
402.14133	0.3
407.16843	0.4
417.09784	2.1
505.11435	1.7
549.10376	27.6
550.10687	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	549.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.6
59.52045	0.7
60.47890	0.7
61.98835	3.0
71.01378	4.6
71.62882	0.6
72.99326	2.6
73.02943	2.1
82.65697	0.7
83.46170	0.6
85.02944	2.1
87.00880	2.1
89.02452	2.4
96.96019	8.8
98.95603	6.8
98.96248	0.8
98.96461	0.9
99.00913	1.0
99.92583	40.6
100.92663	1.0
100.93367	3.0
101.02447	2.7
104.20824	0.9
109.02962	1.4
113.02440	1.7
114.94934	0.9
115.92081	36.5
116.92861	100.0
117.92861	3.8
119.05025	10.1
126.94918	1.9
133.03003	0.8
135.04504	3.0
141.93620	1.6
145.02966	3.7
158.93936	1.4
159.04538	1.0
161.02443	2.0
161.04564	0.8
163.03999	11.3
169.93134	2.2
170.93922	1.2
179.03540	1.4
187.94133	1.1
193.05077	0.9
196.95418	1.1
197.04298	0.7
242.96075	1.0
244.97661	1.9
259.96274	1.1
278.06107	0.7
292.03693	0.9
293.04532	0.8
307.06320	3.0
308.06693	1.0
309.04138	2.2
309.08057	2.3
311.05768	1.7
323.05981	0.8
324.06445	0.9
325.07208	3.1
335.05991	1.5
336.06519	4.8
351.05093	2.2
352.06332	1.7
353.06894	5.4
369.06256	2.5
387.15262	0.8
469.11551	11.2
470.11673	2.1
490.30127	2.0
513.10651	8.0
514.10492	1.2
531.11523	0.9
549.12732	39.9
549.29987	4.5
550.12946	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	548.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36879	0.3
57.04400	0.3
59.01385	1.1
61.98832	100.0
63.23844	0.3
66.51797	0.3
69.48721	2.5
69.49060	0.4
70.14619	0.3
71.01422	0.7
78.98605	1.0
79.95741	1.4
80.96517	8.4
85.02967	0.4
94.98106	1.4
98.19837	0.4
106.98133	0.3
125.02525	0.3
130.66867	0.3
133.11871	0.3
134.97595	0.7
148.99182	0.8
152.98674	0.6
160.90060	0.3
161.02455	0.4
163.71895	0.3
164.98621	1.5
167.88156	0.3
168.74284	0.3
194.64679	0.4
206.99710	0.5
225.00723	1.7
249.18610	0.8
250.19029	0.7
251.19269	0.4
299.04358	0.4
347.16467	0.4
495.08530	0.4
549.23749	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	548.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03451	1.0
59.01381	100.0
60.01706	2.8
61.98831	53.4
64.91533	0.4
68.96951	0.5
69.03457	0.8
71.01384	15.2
72.01696	0.6
72.99302	0.7
73.02949	4.7
75.00873	0.5
79.06573	0.5
81.03465	0.5
82.72606	0.5
83.01396	3.4
85.02950	7.8
87.00891	1.1
88.98838	0.6
89.02441	4.1
89.99694	0.4
95.01408	1.6
97.02954	1.0
99.00900	2.7
101.02441	10.1
102.02763	0.6
108.02151	0.5
109.03004	0.6
111.00865	1.1
113.02449	8.6
119.03473	1.3
125.02426	1.5
133.02953	0.8
135.04536	1.6
137.02516	0.9
143.03479	2.4
145.02953	0.8
148.05330	2.1
149.05672	1.1
159.03026	0.7
161.02461	2.2
161.04561	3.9
163.07623	0.7
182.43626	0.5
250.49583	0.5
299.25870	1.2
343.28510	1.1
344.28998	0.6
345.30093	4.5
375.23865	0.9
376.24103	0.7
387.98026	0.5
399.23911	0.7
487.32867	3.0
488.33188	8.2
489.34326	26.0
498.68491	0.7
505.34085	1.8
506.34427	5.1
507.35364	15.7
548.22668	1.6
549.23077	0.7
549.36768	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	547.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01708	0.7
62.60667	0.3
69.38544	1.5
69.38953	0.9
70.51086	0.3
85.44399	0.3
127.10680	0.3
151.62329	0.3
154.07996	0.2
178.94542	0.3
224.08929	0.3
297.33972	0.3
452.44742	0.3
547.36279	4.1
548.36719	0.4
553.57874	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	547.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61293	3.8
52.74066	4.0
53.37383	4.8
59.01382	33.4
61.98819	15.0
68.94396	3.8
69.90515	24.7
98.19896	6.5
145.02875	7.4
241.20235	4.3
469.33066	7.0
487.34027	17.4
489.34787	5.4
547.29999	100.0
548.30469	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	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04362	0.3
55.01881	1.3
57.01493	0.5
57.03448	1.9
58.00595	0.4
59.01379	100.0
60.01720	0.7
61.98828	1.0
64.74229	0.4
71.01384	16.3
72.99314	0.7
73.02941	5.0
75.00882	1.1
76.16263	0.4
81.03503	0.4
82.73490	0.4
83.01392	2.2
85.02955	9.7
87.00882	1.1
89.02441	3.5
95.01366	2.3
97.02965	0.8
98.19834	1.3
99.00896	1.7
101.02441	10.7
108.20291	0.4
111.00872	0.7
113.02453	10.9
114.48327	0.5
119.03522	1.1
125.02486	1.0
126.94689	0.4
127.11237	0.4
135.04527	2.8
143.03474	2.0
159.03061	1.0
161.02448	0.7
161.04544	5.3
179.05608	0.5
210.09583	0.4
229.81328	0.6
279.23383	0.6
297.24326	0.9
319.17697	0.5
325.27753	0.6
343.28586	4.5
347.20319	0.4
457.32361	0.5
469.31064	0.7
487.32758	38.4
488.33173	3.8
503.19748	0.6
505.33838	21.9
506.34067	2.3
547.21063	0.4
547.35193	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	547.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03448	1.9
59.01381	100.0
60.01714	0.8
61.98844	1.2
69.03453	0.4
71.01383	15.0
72.99312	0.5
73.02948	4.3
75.00888	0.6
80.05058	0.6
83.01389	2.6
85.02950	7.8
85.03437	0.4
86.00082	0.5
87.00877	0.8
89.02447	2.4
93.07095	2.6
95.01380	1.8
97.02969	0.7
99.00880	2.5
101.02441	9.6
102.02814	0.3
106.06645	1.0
108.02211	0.7
108.04594	0.3
109.02964	0.9
111.00906	0.8
111.08166	0.6
112.01655	0.4
113.02454	8.9
119.03516	0.9
122.06160	0.2
124.67330	0.2
125.02454	0.8
129.01970	0.3
134.06125	2.4
135.04533	0.5
135.06490	1.0
136.07693	0.2
141.01967	0.4
143.03479	1.9
146.06099	0.2
147.00584	0.2
152.01193	0.7
152.07130	0.3
153.01936	0.9
159.02988	1.4
161.02510	0.4
161.04555	7.8
173.04712	0.3
174.05663	0.3
175.03944	0.3
179.05446	0.2
180.06633	0.3
180.39610	0.3
187.06046	0.2
188.07182	1.4
189.07498	1.1
194.08168	0.3
197.15465	0.5
208.01750	0.2
211.08418	0.3
213.18546	2.0
225.10182	0.3
227.11790	0.3
228.12230	0.3
238.10561	0.3
252.08905	0.4
252.12256	0.3
253.09627	0.3
254.10156	0.2
265.09631	0.2
266.10461	0.3
268.11829	0.4
277.09711	0.5
278.10080	0.7
279.11185	0.3
280.11700	0.2
293.09286	0.3
294.10022	0.5
295.10828	1.6
296.11157	2.3
307.10776	0.9
308.11014	1.4
323.17059	0.2
343.28464	1.3
357.22852	2.9
375.19196	0.3
375.23767	4.1
376.24170	0.4
415.18530	0.3
439.30740	0.4
442.17880	0.7
443.18054	3.7
443.24011	0.3
451.30334	0.3
457.31815	0.3
461.19370	0.7
469.16052	0.4
469.30911	1.2
487.17230	0.9
487.32761	30.3
488.33105	2.9
503.20056	5.3
504.20251	0.4
505.33817	17.4
506.34204	2.0
547.19098	3.0
547.35376	1.8
548.18854	0.4
562.87140	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	547.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.7
61.98837	0.7
64.61829	0.5
69.38557	5.1
71.01393	2.1
73.02931	1.1
89.02451	2.3
98.19891	1.0
101.02444	3.0
106.38275	0.5
113.02473	1.1
119.03500	0.9
133.02927	1.0
157.99451	0.6
161.02512	0.9
161.04466	1.0
233.18918	0.6
235.08183	1.4
251.20152	100.0
252.20523	7.0
253.09271	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	547.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47453	0.4
55.56765	0.4
59.01381	100.0
60.01709	1.0
60.99303	0.6
61.98838	1.3
64.47179	0.4
71.01398	0.5
72.92645	0.3
73.02958	0.6
73.23085	0.4
81.71179	0.4
85.02972	0.6
88.98811	1.8
93.03511	0.5
101.02458	0.6
106.63793	0.4
109.02964	0.5
119.05019	0.9
135.04581	1.3
142.66374	0.4
145.03032	0.6
161.02451	1.1
163.04092	1.1
179.03665	0.5
297.44147	0.4
315.67212	0.3
375.25494	0.6
415.25232	1.3
428.11395	0.4
469.29666	1.0
487.30646	29.3
488.31000	4.1
488.36682	0.5
532.00708	0.4
547.27570	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	547.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
58.00613	1.2
59.01380	100.0
61.98821	3.4
69.03448	1.7
69.71139	0.7
70.03897	3.4
70.04315	1.6
71.01383	24.5
72.99300	8.4
73.02949	22.8
75.00854	0.8
79.75584	1.0
81.03454	3.3
83.01394	8.5
83.05042	3.8
85.02945	7.0
86.85747	0.9
87.00880	4.5
88.98765	1.0
89.02447	13.3
93.03443	2.4
95.01382	1.3
95.05027	6.0
96.95996	1.9
97.02961	1.4
97.06599	2.0
99.00855	2.2
101.02444	23.8
107.05012	3.4
108.02165	3.2
109.02953	1.9
109.06586	4.4
113.02437	9.8
113.20820	1.0
117.03457	9.6
119.03513	4.8
119.05027	46.6
123.04498	5.8
126.90509	2.0
131.03467	1.4
133.02940	5.1
133.06519	1.0
134.03709	2.7
135.04524	82.3
135.06656	4.0
135.08119	1.6
136.04845	3.3
137.02432	4.0
141.11699	0.8
143.03470	1.5
145.02954	34.1
146.03323	2.4
151.03986	1.9
152.01123	2.5
153.01912	1.3
159.02972	2.6
159.04367	1.0
161.02440	8.8
161.04590	5.3
161.05948	1.7
161.09709	6.9
161.13377	3.1
162.02773	1.0
163.04004	50.1
163.11263	1.6
164.04303	1.2
175.04036	1.7
177.01952	1.4
177.05640	1.1
177.09213	12.6
178.09540	1.2
179.03510	15.6
179.05217	1.5
179.10783	1.0
187.11256	6.2
189.09146	4.4
191.01688	1.1
197.04561	8.0
205.04970	1.5
205.12354	4.4
207.10251	2.9
209.43996	0.9
221.04521	1.0
221.08139	4.3
225.11246	1.2
229.31561	0.9
239.05515	1.7
239.09245	2.8
249.11221	3.7
256.22098	0.8
267.12485	1.0
269.13828	2.2
297.12106	4.4
307.08203	11.7
325.09390	5.3
325.20239	1.3
341.08691	3.2
343.21497	1.3
359.09833	4.0
383.13449	2.9
401.10846	19.8
402.11258	1.9
443.13458	3.7
443.68185	0.9
487.12384	3.4
487.24796	1.5
487.30945	1.3
503.12115	2.5
503.24844	2.3
505.13684	2.8
505.26401	2.3
529.26868	5.2
547.28387	83.7
548.27411	8.0
568.39374	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	547.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
58.38737	1.2
59.01092	2.3
59.01384	40.7
60.99289	3.6
61.98834	5.7
69.03445	1.6
70.00518	1.2
71.01389	9.1
72.99304	3.1
73.02956	7.6
75.00880	1.5
76.86609	1.4
81.03477	3.4
83.01379	6.5
83.05034	4.9
85.02951	5.4
87.00889	1.4
87.04512	1.6
88.98801	13.0
89.02438	4.7
90.99210	1.5
93.03467	4.7
95.05030	7.5
98.20823	2.0
101.02448	5.7
109.02953	4.7
109.06586	4.4
113.02471	2.8
117.03468	1.8
119.05034	100.0
120.05394	3.6
121.02958	1.7
123.04544	3.8
132.85725	1.2
133.02934	3.8
135.03604	2.1
135.04546	21.3
135.08191	3.2
137.02461	3.1
145.02974	10.2
159.02968	5.5
161.02455	9.2
161.06070	1.6
163.04021	76.8
164.04367	3.8
177.01941	2.0
177.09198	11.1
179.03473	8.8
197.04494	1.9
200.27451	1.2
203.07106	2.1
207.10254	1.5
221.08240	3.6
235.09747	2.0
239.09131	7.0
245.08304	2.4
256.44263	1.2
263.09174	1.6
269.13898	4.3
271.01459	1.6
281.06961	1.6
284.03180	5.0
293.86942	1.3
299.05511	4.5
301.20212	2.1
308.94217	1.3
311.85718	1.5
325.09329	3.1
343.20862	1.5
383.13574	3.7
393.28171	1.4
401.10770	1.7
503.25113	3.6
547.18256	25.3
547.28741	30.0
548.18402	2.9
548.29474	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	547.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14533	0.4
57.03444	0.5
59.01383	18.8
71.01389	3.9
71.62715	0.8
72.99330	0.8
73.02953	2.4
81.03458	1.6
83.01382	4.0
83.05028	0.8
84.05038	0.4
85.02955	1.3
87.00859	0.9
88.98814	1.4
89.02441	3.0
93.03464	1.3
95.05022	1.5
99.00835	0.5
101.02441	3.5
107.05035	1.4
108.40337	0.5
109.02947	2.7
109.06599	1.2
111.04520	0.5
113.02447	1.5
117.03458	0.8
119.05029	100.0
120.05311	3.5
123.04519	1.4
131.04967	0.6
133.02985	1.1
135.04562	3.3
135.06606	0.7
135.08157	1.7
137.02426	0.6
141.05568	0.9
145.02977	0.6
149.13251	0.5
159.08099	0.7
161.02423	2.6
161.04558	0.9
161.05952	0.4
161.09706	2.2
161.13322	1.0
163.04012	62.2
163.11340	0.5
164.04364	2.0
177.09178	2.4
179.03436	0.8
179.05669	0.5
179.07118	0.9
187.11278	2.3
188.08397	0.5
189.09218	1.7
195.10266	2.6
201.09117	0.7
203.07155	1.5
205.12321	1.6
207.10297	0.5
219.10104	0.6
221.08163	1.3
239.09270	5.2
243.10245	0.7
245.08209	6.1
249.11314	1.0
263.09244	3.3
277.10678	0.6
287.09274	1.3
297.11868	1.0
305.10306	2.0
321.01151	0.5
323.11316	0.9
325.09314	0.7
383.13559	4.1
466.92957	0.5
487.30731	0.6
547.17981	15.8
547.24493	10.7
548.17590	2.4
548.25830	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	547.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84787	0.7
57.03426	1.1
59.01384	16.2
60.99288	1.5
61.98811	1.0
69.03469	1.4
69.53802	6.7
69.54138	1.2
71.01383	2.5
72.99297	2.0
73.02943	2.9
73.74535	0.7
79.05531	2.1
81.03451	2.2
83.01390	6.8
83.05025	3.1
85.02997	2.0
88.98799	3.5
89.02451	1.3
93.03469	3.2
95.05014	6.2
99.36264	0.9
101.02442	2.8
109.02954	4.3
109.06578	3.0
113.02525	0.9
117.03471	1.7
119.05028	100.0
120.05355	2.8
121.06635	0.9
123.04527	3.0
133.02902	1.1
135.04520	14.6
135.08153	2.7
137.02444	1.0
141.05573	1.0
145.02957	5.0
159.08131	2.2
161.02466	4.6
162.02731	1.0
163.04007	75.8
164.04327	3.7
175.07666	1.0
177.09180	12.4
178.09593	1.2
179.03503	4.3
179.07086	1.0
195.10281	2.3
197.04683	0.9
203.07137	2.2
221.08134	2.9
235.09779	1.1
239.09215	5.8
245.08090	2.5
263.09207	2.2
269.13931	1.6
287.09277	2.0
305.10254	2.8
307.08173	1.7
323.11404	1.6
325.09186	2.9
383.13412	5.1
401.10898	3.4
430.40671	0.8
503.25085	1.2
547.18164	30.3
547.28894	16.6
548.18463	3.6
548.29181	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	546.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18872	0.6
59.01380	38.0
60.01715	5.1
61.01804	4.9
61.02069	0.8
61.98831	100.0
72.99342	0.6
73.41209	0.6
76.29903	0.5
82.09400	0.6
85.02966	0.7
117.03468	10.0
118.03830	4.0
119.05064	2.6
133.02991	0.6
135.04564	0.7
143.05031	1.6
145.02956	28.7
146.03278	12.4
161.02486	1.2
163.04030	2.4
164.04396	1.0
179.03500	0.8
187.04024	1.8
299.24011	0.7
361.17874	0.8
397.61914	0.6
503.23004	0.8
546.24341	10.8
547.24219	1.0
547.35126	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	547.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11935	3.7
57.03448	3.4
59.01388	23.6
61.98831	5.8
62.11942	2.9
70.93548	4.5
70.93861	5.0
71.01389	24.6
72.99282	3.7
85.02958	17.2
89.02450	11.5
93.03452	13.2
95.01392	7.1
96.96001	7.8
101.02444	8.8
109.71156	3.0
113.02451	46.5
117.03440	12.5
119.05030	96.6
121.02948	14.2
132.05789	5.4
133.06599	19.3
145.02956	67.5
159.04446	4.7
161.04547	11.1
161.06064	40.3
163.02695	6.8
163.04010	100.0
168.53619	3.6
177.05544	9.5
187.03951	21.9
191.07083	7.9
205.05049	71.0
235.06134	30.5
265.07153	40.0
301.37125	3.5
325.09271	17.4
367.10181	9.1
431.02780	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	545.3485
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01380	10.1
60.99298	0.3
61.98828	1.6
71.01381	0.8
71.62215	0.4
72.99310	0.3
73.02960	0.3
75.00904	0.3
76.20995	0.2
81.35244	0.3
85.02943	0.6
88.98808	0.8
89.02431	0.7
97.02917	0.3
101.02438	1.0
111.08160	0.3
113.02455	0.8
119.03519	0.4
123.04488	0.3
133.02959	0.6
135.04579	0.5
145.02937	0.6
150.67868	0.3
161.02454	2.6
161.04518	0.4
197.11943	1.5
227.12971	0.3
253.09337	1.5
291.19614	1.3
309.20700	3.8
375.53342	0.3
425.30692	0.9
432.16138	0.3
435.59195	0.3
452.71863	0.3
485.32370	1.9
503.31857	0.4
545.34821	100.0
546.35181	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	545.3484
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
53.43744	0.3
59.01381	12.2
61.98842	1.7
69.30539	0.5
69.30959	1.4
71.01379	1.5
72.99305	0.6
73.02943	0.7
73.77909	0.2
85.02952	0.6
87.00846	0.2
88.98826	1.5
89.02439	0.9
98.19918	0.5
99.00887	0.2
101.02406	1.2
104.39173	0.2
110.40273	0.2
111.08172	0.6
113.02440	0.8
114.02687	0.3
117.03448	0.4
119.03531	0.3
131.53514	0.2
133.02930	0.8
134.75040	0.2
135.04494	0.6
143.03519	0.2
145.02954	0.8
146.03366	0.2
151.04074	0.3
151.21249	0.3
161.02441	2.8
161.04510	0.3
165.37265	0.2
179.03410	0.3
197.11833	2.7
211.13368	0.3
225.15024	0.3
227.54175	0.2
236.19737	0.2
253.09219	2.1
291.19592	1.3
309.20728	3.7
310.21112	0.3
313.07303	0.2
329.31274	0.2
348.22266	0.2
359.07440	0.2
425.30536	1.0
485.32520	1.4
503.32425	0.4
545.34845	100.0
546.35205	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	546.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04844	1.1
57.03445	2.1
59.01381	83.6
60.01717	2.4
61.98831	100.0
71.01382	13.5
71.14500	2.9
72.99287	4.1
73.02950	6.1
75.00884	7.3
83.01382	2.0
85.02934	4.8
86.00108	1.5
87.00874	2.0
87.04495	1.5
88.98803	11.5
89.02451	6.4
95.01378	2.7
101.02434	8.4
109.02939	1.8
111.00870	2.3
113.02462	8.5
119.03530	1.8
119.05004	4.7
123.00869	1.7
125.02402	1.5
133.02989	7.9
134.03708	1.2
134.06140	2.5
135.04503	7.5
137.02464	2.2
141.01875	2.1
143.03470	1.6
145.02904	2.7
149.02399	1.6
151.03941	3.4
161.02449	23.6
161.04483	2.0
162.02789	4.2
163.03963	3.9
179.03433	3.7
195.02820	1.9
197.11769	5.8
198.12152	2.4
239.12210	1.6
253.09271	4.7
295.10620	1.5
309.20764	5.0
310.20990	4.9
343.28510	1.8
361.10373	1.3
389.08646	2.5
406.10660	1.9
442.17722	2.2
486.30817	2.3
487.32880	9.7
502.19870	2.7
504.32401	1.6
505.33777	4.2
545.33374	2.1
546.18915	2.1
546.33759	5.0
547.23621	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	545.3485
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
54.41945	0.1
55.90903	0.1
59.01381	100.0
60.01705	0.9
61.98830	0.2
69.44421	0.8
69.44831	0.3
69.95582	0.1
74.99107	0.9
123.03232	0.1
124.90083	0.1
136.81639	0.1
141.61885	0.1
141.93111	0.1
161.02516	0.2
281.06506	0.1
362.89932	0.1
385.51254	0.1
471.83478	0.2
485.32663	0.9
545.35504	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	545.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23363	0.4
58.93781	0.3
59.01380	100.0
60.01711	0.9
61.98825	0.5
69.33228	0.9
69.33636	2.7
71.01386	1.6
72.99322	0.5
75.00896	1.1
79.78769	0.4
85.02978	1.2
87.00901	0.3
89.02460	0.4
95.01387	0.6
99.00862	0.4
113.02431	1.7
117.03485	1.5
119.05010	0.7
135.04646	0.6
140.93187	0.3
143.05038	0.6
145.02969	2.6
161.02504	1.0
187.03929	0.7
209.15457	0.8
221.31873	0.4
275.55661	0.4
277.21793	1.0
295.22855	1.0
485.31686	0.6
503.32715	0.6
545.29016	3.6
546.29718	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	545.3487
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01380	38.5
61.98829	1.7
62.27298	0.4
71.01377	1.5
71.62836	0.9
72.13813	0.4
73.02922	0.6
74.67701	0.5
75.00871	0.5
75.27443	0.4
85.02959	0.9
101.02454	1.1
109.63649	0.4
113.02463	0.7
123.90881	0.4
133.02966	0.5
133.35307	0.4
135.04509	0.5
137.02455	1.4
145.02904	0.6
354.25940	0.4
363.11658	0.4
391.06491	0.5
399.77829	0.5
407.29489	0.8
409.31195	1.2
417.28058	0.5
421.31033	1.6
437.30579	0.9
441.33719	5.9
442.34164	0.7
457.33286	1.0
467.31659	0.6
485.32593	5.5
486.32892	0.6
499.34512	2.1
515.33917	1.0
545.34802	100.0
546.35205	13.6
546.42181	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	545.348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88326	0.5
57.03445	1.1
58.07428	0.6
59.01380	85.5
61.98832	2.6
70.04582	2.8
71.01398	1.0
73.00142	0.5
73.02948	3.3
91.95514	0.6
101.64323	0.5
125.73478	0.6
130.73666	0.6
136.01617	0.7
161.02438	1.2
193.24089	0.5
213.05623	0.8
247.82033	0.7
341.17291	0.6
373.28745	1.4
439.32190	4.4
444.27945	0.7
455.28149	0.8
485.32715	100.0
486.33112	14.2
487.34296	22.3
488.34808	2.9
545.30078	47.7
546.30493	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	545.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01381	30.9
68.99818	3.6
69.46452	2.2
71.01392	1.5
72.99315	0.6
73.02943	0.5
80.34344	0.3
81.03442	0.3
83.01411	0.5
83.05016	0.3
85.02962	1.3
85.73086	0.3
87.00869	0.4
89.02428	0.4
93.03506	0.3
97.02961	0.4
101.02448	0.8
106.95446	0.3
113.02441	0.5
115.05547	1.3
117.03470	36.0
118.03804	0.9
119.05029	23.0
120.05379	0.6
121.02959	1.1
123.04541	0.4
133.02956	0.6
133.06656	0.3
135.04503	1.0
137.02509	0.3
143.05028	20.1
144.05408	0.7
145.02953	100.0
146.03279	3.7
157.06578	0.3
159.03111	0.3
159.04497	0.5
161.02446	1.1
161.04666	0.5
161.06082	2.0
162.03227	1.3
163.04010	21.8
164.04320	0.7
172.23494	0.3
185.06087	0.6
187.04002	40.6
188.04381	1.9
203.07164	2.3
205.05057	0.7
223.12041	0.4
229.05054	1.2
291.19662	0.8
309.20850	0.5
313.91086	0.3
347.07590	0.3
357.19193	0.5
407.09485	0.3
425.19705	1.5
443.20679	0.8
461.22125	0.6
485.21817	5.0
485.32535	0.6
486.22308	0.6
503.22873	3.3
504.22897	0.4
545.23914	26.0
546.24323	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	545.3487
Annotation	Picracin
Peak:m/z	Relative Intensity
59.01380	100.0
60.01703	0.7
61.98840	0.7
70.18798	0.2
71.01365	0.8
71.29415	0.2
71.29749	0.2
73.02952	0.5
79.83540	0.1
89.02471	0.5
101.02455	0.4
113.02419	0.2
116.92886	0.2
133.02971	0.3
135.04488	0.2
137.02502	0.5
161.02483	0.7
184.17723	0.2
213.05679	0.2
220.31462	0.2
249.18590	11.5
250.18954	0.8
253.09312	2.1
363.72739	0.2
373.29199	0.3
439.32602	0.3
452.60245	0.2
485.32715	16.5
486.33127	2.3
545.14801	0.9
545.29828	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	545.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59924	1.3
57.03445	4.0
59.01381	100.0
60.99353	1.8
64.26501	1.4
65.60981	1.6
69.44844	1.3
69.45145	13.0
71.01386	17.1
71.05012	2.0
72.04058	1.5
72.99282	1.7
73.02964	7.2
83.01390	3.1
83.05008	3.7
85.02950	48.1
87.00884	9.9
88.98829	1.9
89.02461	8.7
96.96053	1.7
97.06589	5.3
101.02454	10.6
103.76341	1.5
107.05026	9.9
109.06575	1.6
113.02448	4.6
115.04009	2.8
119.03503	2.0
120.05788	3.9
124.61003	1.4
129.69382	1.4
135.04538	13.3
143.03442	1.7
144.68756	1.4
150.80658	1.5
152.04788	2.4
159.08063	1.8
159.11719	2.1
161.02438	2.4
161.04556	3.0
161.09734	19.4
161.13361	8.4
163.11354	3.8
164.36110	1.5
177.01881	2.3
179.30426	1.9
185.13379	5.0
187.11273	29.9
188.11650	2.0
189.09193	13.2
197.04559	1.5
203.10756	9.4
205.12373	12.2
207.10260	4.5
223.13391	77.3
224.13741	4.3
229.12335	6.5
231.10173	2.4
249.11360	11.4
267.12344	70.4
291.12350	5.6
309.13422	11.5
339.14539	17.2
369.15524	85.1
370.15912	6.2
429.17624	50.6
430.17963	3.3
471.18799	2.1
497.43613	1.6
545.21747	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	545.2392
Annotation	Jodrellin T
Peak:m/z	Relative Intensity
59.01381	36.7
68.99817	8.3
69.51711	0.6
69.52122	1.7
71.01382	1.8
73.02953	0.6
75.00900	0.4
83.01382	0.4
83.29636	0.3
85.02956	0.9
93.03465	0.8
98.19944	0.7
100.37638	0.3
101.02455	1.3
113.02444	1.1
115.05550	3.8
117.03468	39.2
118.03799	1.4
119.05028	26.9
120.05364	1.0
121.02947	0.8
133.02957	0.9
143.05026	56.7
144.05385	2.8
145.02951	100.0
145.85103	0.3
146.03290	3.5
147.04596	0.3
152.73897	0.3
159.04494	0.9
161.02380	0.4
161.04694	0.4
161.06079	1.8
162.03229	0.3
163.04005	18.5
164.04356	0.4
187.04001	97.6
188.04349	4.5
205.05040	0.7
229.05179	0.3
229.20483	0.3
315.17996	0.3
347.07764	0.4
357.19125	0.6
407.09766	0.5
425.18686	0.6
443.20651	0.4
468.09210	0.3
485.21771	6.5
486.22034	0.6
503.22852	2.9
539.96277	0.3
545.23901	34.9
546.24225	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	545.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.9
59.01383	35.1
61.98827	2.5
67.67889	0.8
70.53952	2.9
71.01384	27.5
72.00904	5.3
72.22602	0.9
72.99313	2.0
73.02966	1.5
74.02482	5.6
83.01363	0.8
85.02937	4.1
87.00859	2.4
87.04993	0.8
89.02442	45.4
89.41621	0.9
95.01397	1.0
98.16493	0.8
101.02443	16.5
113.02460	11.7
116.05066	25.7
117.05365	1.0
119.03498	13.2
127.79048	0.8
131.03522	2.1
142.06609	5.0
143.03484	3.3
149.04565	2.0
159.09282	3.8
161.04538	8.0
179.05618	24.5
203.08263	37.3
341.10876	100.0
342.11151	4.8
487.05612	1.1
536.73840	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	545.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03443	6.0
59.01382	100.0
60.99309	3.0
61.98832	3.0
66.06889	1.6
70.28783	1.5
71.01379	14.0
71.05015	3.3
71.48346	3.2
72.99296	3.7
73.02956	3.4
83.01369	2.1
83.05042	3.1
85.02955	42.3
87.00874	14.2
88.98826	8.2
89.02441	11.4
91.18486	1.5
95.05033	2.3
97.06597	7.5
101.02445	10.9
107.05035	12.0
107.73577	1.4
109.06614	1.8
111.00885	1.8
111.26649	1.6
113.02451	5.5
115.04016	2.9
117.03461	3.5
119.03514	3.4
119.05011	4.5
120.05820	3.0
121.02970	1.5
123.04507	2.2
126.72044	1.8
133.03008	2.0
135.04539	17.2
141.01959	2.8
145.02962	7.9
146.84142	1.6
147.08165	2.2
152.04741	1.8
159.02896	1.6
159.11812	2.6
161.02458	10.7
161.04507	2.1
161.09729	22.5
161.13379	10.5
163.04002	5.7
163.11296	3.0
177.02020	1.7
179.03459	4.8
185.09737	1.8
187.11282	29.4
189.09192	12.9
197.04536	3.2
203.10780	4.8
203.14337	2.0
205.12273	12.4
207.10257	4.4
221.08263	2.6
223.13377	72.5
223.15594	3.6
224.13763	4.6
229.12259	6.3
249.11339	9.9
267.12357	67.1
268.12686	3.4
291.12344	5.4
295.10379	3.4
309.13446	10.7
339.14453	17.4
340.14792	1.8
343.21286	9.4
369.15515	73.3
370.15756	5.9
429.17621	58.6
430.17859	3.8
514.29919	1.8
527.21667	2.5
545.22205	42.5
545.34540	3.3
546.22705	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	545.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04256	0.7
57.03442	0.8
58.98565	0.9
59.01381	12.3
60.98995	1.0
60.99310	16.7
66.74564	0.9
71.01381	3.0
71.63014	1.1
73.02964	1.8
75.45986	0.7
78.39732	0.7
85.02956	2.7
87.00895	1.4
88.98809	100.0
101.02448	2.4
113.02459	1.1
131.03490	0.8
135.04517	2.3
144.75485	0.8
161.02475	2.2
161.04567	1.1
161.09702	2.6
179.03438	1.0
187.11290	1.9
205.12253	1.0
223.13313	4.5
267.12378	4.9
331.74969	1.0
343.21393	1.0
369.15564	5.3
429.17505	3.4
429.23602	0.8
459.24667	0.9
471.18884	1.5
545.22638	3.0
545.34857	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	545.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43685	0.4
58.00619	0.5
59.01384	7.8
61.98838	1.4
71.01387	5.3
71.62422	0.7
72.99312	0.9
83.01387	0.5
85.02946	1.8
88.98819	1.2
89.02445	3.5
95.01376	0.9
95.62350	0.5
96.96026	1.7
99.00895	0.8
101.02444	2.5
105.03461	0.8
108.02217	0.6
109.02972	4.3
111.00901	1.4
113.02448	2.9
116.10822	0.4
117.03519	1.0
119.03522	0.9
121.02955	0.9
132.02191	1.9
133.02950	24.4
134.03804	2.8
135.04526	60.9
136.04883	2.3
137.02496	2.5
138.86676	0.5
139.03987	0.7
147.04503	1.5
148.05301	1.5
149.06081	9.9
151.03967	0.6
159.04553	1.2
160.01649	1.8
161.02448	100.0
162.02760	4.0
163.03879	0.5
164.02138	0.7
165.62389	0.5
175.04028	6.0
177.01959	1.0
177.05573	18.4
178.02754	1.4
178.05988	0.7
179.03500	62.4
180.03865	1.9
189.05573	2.1
191.03517	0.7
193.05046	0.7
201.05455	0.6
203.03496	31.6
204.03819	1.5
207.06555	1.3
221.04547	20.4
222.05023	0.7
233.04578	3.7
251.05656	3.8
281.06641	7.8
282.07214	0.6
323.07642	2.9
336.58133	0.5
341.08716	12.3
353.91977	0.5
365.08762	9.6
383.05048	1.1
383.09821	18.8
384.10141	1.0
406.99533	0.5
407.09821	13.1
408.10260	1.0
425.10864	12.0
426.11227	1.0
437.10657	1.0
455.11896	4.8
467.11887	1.0
485.13013	31.2
486.13684	2.9
527.13983	0.9
545.15100	20.3
546.15527	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	545.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03448	1.5
58.00605	0.6
59.01381	100.0
59.65968	0.4
60.01707	1.4
60.99316	1.0
61.01823	0.4
61.98835	2.8
69.03453	4.3
70.32251	0.4
71.01382	14.6
71.05024	0.5
72.01732	0.4
72.99323	1.8
73.02946	5.0
75.00887	0.7
83.01385	2.4
83.05053	0.7
85.02953	7.0
87.00893	1.3
88.07450	0.4
88.98805	6.5
88.99322	0.5
89.02446	6.2
93.03468	1.0
95.01398	1.6
95.05056	0.5
96.96000	0.6
97.02958	1.0
98.19839	1.0
99.00898	1.3
99.92604	1.6
101.02444	8.9
101.03069	0.6
108.02187	1.6
109.02965	4.2
111.00857	0.6
113.02445	8.5
115.92033	2.4
116.04985	0.4
116.92855	8.3
117.03439	0.9
119.03498	2.4
119.05051	1.2
121.02950	6.5
122.03756	1.8
123.04533	6.3
125.02484	1.0
129.01956	0.5
130.08745	0.6
133.02994	2.1
134.06050	0.5
135.04526	6.9
136.04895	0.5
137.02423	3.1
143.03529	1.0
143.05057	0.6
145.02969	3.2
147.04561	2.3
149.02464	1.1
152.01183	0.9
153.01953	1.5
159.03073	0.7
159.04514	1.3
160.05359	0.9
161.02463	5.2
161.04532	3.7
161.55585	0.4
162.02798	0.9
163.04059	0.9
165.05540	0.9
171.04553	0.9
173.06114	1.1
173.11929	0.5
175.04018	3.2
176.04785	15.5
177.01917	0.8
179.03534	1.9
179.05579	1.0
187.04109	0.6
189.05630	0.7
197.04547	0.9
216.02838	0.5
263.07196	0.9
264.07959	1.1
265.08585	0.8
281.08325	0.4
292.07291	0.8
293.08340	1.5
309.20737	0.7
311.09210	2.7
315.07062	0.6
323.09247	0.7
323.26053	1.0
341.10272	76.9
342.10580	6.0
391.29965	0.5
397.15253	0.6
405.28271	0.6
407.29303	0.9
409.31381	0.6
419.29703	0.7
421.31128	1.6
423.29001	1.3
425.30444	0.7
439.32260	0.6
441.33627	8.2
453.30203	1.0
459.34805	0.5
467.30560	1.4
484.30569	0.5
485.31668	14.8
486.31628	0.9
489.60129	0.5
499.34174	2.4
503.32007	6.0
504.32834	0.6
515.33624	1.0
527.34155	0.5
544.34430	2.9
545.18213	2.4
545.35040	68.3
546.18878	0.8
546.35535	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	545.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92681	1.2
59.01382	18.0
60.92357	1.6
60.99309	18.6
61.32867	1.4
61.98836	2.9
69.97501	3.2
69.97904	3.4
71.01376	4.1
72.99312	56.2
73.02954	2.2
73.99713	1.3
76.45232	1.4
85.02962	2.2
86.66379	1.2
87.00893	1.7
88.98811	90.4
89.02435	2.1
90.79485	1.1
93.03479	1.9
97.06581	5.0
101.02448	2.9
108.99271	1.1
113.02467	1.7
116.92834	1.9
121.02940	4.1
123.04552	2.3
133.02972	16.5
134.06099	1.7
135.04521	9.4
137.02415	2.9
150.03204	2.0
151.04016	1.5
161.02448	74.4
162.02747	2.3
173.06013	1.4
175.07640	2.1
176.04657	1.6
178.02690	5.0
179.03474	6.2
181.16621	1.5
187.07664	15.5
190.06378	3.9
197.04393	1.6
201.09337	1.8
202.06305	2.8
203.10722	2.1
205.08630	2.4
213.09200	2.8
215.07233	1.7
219.10300	15.9
231.10294	10.0
275.09271	9.5
293.10318	100.0
294.10648	6.7
350.95871	1.5
455.13510	40.0
456.13739	3.8
466.28787	1.5
502.20316	1.7
545.25433	1.6
546.91583	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	543.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98161	0.7
55.01870	1.3
56.82890	0.8
57.03428	1.0
59.01379	59.1
61.98835	6.2
71.01376	4.5
71.05014	7.1
71.65713	1.3
72.99306	3.2
73.02941	2.8
83.05037	5.3
85.02959	2.7
86.00110	0.8
89.02457	1.6
97.06584	2.4
99.04505	3.0
101.02441	2.5
101.40572	0.9
109.02924	1.7
113.02472	1.1
113.90691	0.9
117.03445	1.2
119.04961	1.2
133.02966	3.3
135.04529	6.9
143.03493	0.8
145.02962	4.2
149.07790	1.0
161.02449	9.2
167.03525	1.4
169.28261	1.1
179.03479	4.4
180.08250	1.0
195.02971	5.4
197.04485	4.8
225.05713	1.0
253.09302	2.1
289.18073	4.1
307.19229	3.3
371.26160	1.1
385.27441	2.3
414.74854	1.0
447.27335	1.5
483.30847	2.7
499.34171	2.1
501.30362	1.6
513.31836	2.9
525.31995	1.1
543.33240	100.0
544.33667	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	543.3332
Annotation	Luvungin F
Peak:m/z	Relative Intensity
51.98161	0.7
55.01870	1.3
56.82890	0.8
57.03428	1.0
59.01379	59.1
61.98835	6.2
71.01376	4.5
71.05014	7.1
71.65713	1.3
72.99306	3.2
73.02941	2.8
83.05037	5.3
85.02959	2.7
86.00110	0.8
89.02457	1.6
97.06584	2.4
99.04505	3.0
101.02441	2.5
101.40572	0.9
109.02924	1.7
113.02472	1.1
113.90691	0.9
117.03445	1.2
119.04961	1.2
133.02966	3.3
135.04529	6.9
143.03493	0.8
145.02962	4.2
149.07790	1.0
161.02449	9.2
167.03525	1.4
169.28261	1.1
179.03479	4.4
180.08250	1.0
195.02971	5.4
197.04485	4.8
225.05713	1.0
253.09302	2.1
289.18073	4.1
307.19229	3.3
371.26160	1.1
385.27441	2.3
414.74854	1.0
447.27335	1.5
483.30847	2.7
499.34171	2.1
501.30362	1.6
513.31836	2.9
525.31995	1.1
543.33240	100.0
544.33667	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	543.3335
Annotation	Luvungin F
Peak:m/z	Relative Intensity
50.96542	0.4
57.03452	0.8
58.00595	0.4
59.01382	71.0
60.01719	0.7
61.75195	0.4
61.98833	0.7
69.03461	0.6
69.55590	2.6
71.01395	3.3
72.99310	1.9
73.02961	2.3
81.57403	0.4
83.01407	0.6
85.02962	1.1
86.58947	0.3
87.00855	0.6
88.58802	0.4
89.02459	1.8
93.03477	0.4
98.20609	0.7
98.79996	0.3
99.00906	0.5
101.02434	2.4
113.02436	1.8
117.03487	2.5
119.03531	0.6
119.05019	1.4
123.04520	0.9
124.01439	0.4
133.02946	3.2
134.03743	0.8
134.06084	0.7
135.04526	4.9
137.02509	0.6
143.05025	2.8
145.02953	4.8
151.04030	2.6
152.19946	0.4
158.74318	0.4
161.02448	9.4
161.04517	0.8
162.02771	1.0
163.04007	1.0
179.03496	2.3
180.03767	0.4
186.17528	0.4
187.04018	4.0
197.04575	1.8
295.06110	0.4
304.10284	0.4
333.25845	0.4
357.25809	0.5
359.07700	1.1
373.29160	2.0
389.24756	0.7
399.94620	0.4
403.30115	4.2
404.30051	0.5
419.29474	2.7
421.31161	0.5
435.28922	0.9
480.60953	0.4
483.29358	1.5
501.31635	2.5
543.33264	100.0
544.16034	0.6
544.33624	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	543.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96542	0.4
57.03452	0.8
58.00595	0.4
59.01382	71.0
60.01719	0.7
61.75195	0.4
61.98833	0.7
69.03461	0.6
69.55590	2.6
71.01395	3.3
72.99310	1.9
73.02961	2.3
81.57403	0.4
83.01407	0.6
85.02962	1.1
86.58947	0.3
87.00855	0.6
88.58802	0.4
89.02459	1.8
93.03477	0.4
98.20609	0.7
98.79996	0.3
99.00906	0.5
101.02434	2.4
113.02436	1.8
117.03487	2.5
119.03531	0.6
119.05019	1.4
123.04520	0.9
124.01439	0.4
133.02946	3.2
134.03743	0.8
134.06084	0.7
135.04526	4.9
137.02509	0.6
143.05025	2.8
145.02953	4.8
151.04030	2.6
152.19946	0.4
158.74318	0.4
161.02448	9.4
161.04517	0.8
162.02771	1.0
163.04007	1.0
179.03496	2.3
180.03767	0.4
186.17528	0.4
187.04018	4.0
197.04575	1.8
295.06110	0.4
304.10284	0.4
333.25845	0.4
357.25809	0.5
359.07700	1.1
373.29160	2.0
389.24756	0.7
399.94620	0.4
403.30115	4.2
404.30051	0.5
419.29474	2.7
421.31161	0.5
435.28922	0.9
480.60953	0.4
483.29358	1.5
501.31635	2.5
543.33264	100.0
544.16034	0.6
544.33624	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	543.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24746	0.9
53.07609	1.0
59.01382	100.0
60.01717	1.7
61.98827	1.5
71.01387	0.9
75.67283	0.8
89.02498	0.9
101.02402	1.5
102.68855	1.0
119.35910	0.9
135.04436	1.2
161.02452	2.9
208.55092	0.9
247.16963	9.7
253.09329	3.9
543.33954	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	543.3332
Annotation	Luvungin F
Peak:m/z	Relative Intensity
55.01890	0.5
57.03447	3.2
58.00574	0.6
59.01381	81.8
60.01709	0.6
61.98836	1.6
69.03468	0.4
71.01385	10.4
71.05035	1.3
71.65525	0.5
72.99296	1.4
73.02950	3.8
83.01404	1.2
85.02950	4.1
85.16653	0.3
87.00862	1.4
87.04537	0.7
89.02442	5.4
95.01411	0.9
97.06608	0.4
99.00887	1.4
101.02445	7.0
101.03060	0.6
105.01936	0.5
109.03008	0.6
111.00927	0.6
113.02454	4.9
117.03497	0.3
119.03532	2.1
119.05022	5.4
120.05401	0.4
123.04462	0.3
125.02472	0.5
126.90510	0.4
131.03474	0.3
133.02974	2.0
134.06125	0.3
135.04536	3.6
136.04861	0.3
137.02423	0.5
143.03528	1.0
145.02995	0.7
161.02444	4.9
161.04523	4.0
162.02818	1.1
163.04019	4.4
165.01918	0.7
173.11789	1.8
179.03529	1.3
179.05641	0.9
181.05185	0.3
187.13376	0.5
197.04558	1.1
211.22185	0.3
213.15276	0.3
242.08264	0.5
293.12640	0.4
315.18250	0.7
319.40958	0.4
321.18759	0.5
339.25494	0.5
343.17633	0.9
361.18723	0.5
371.20853	1.2
387.16351	0.5
389.21255	0.5
389.25369	0.5
391.30176	0.8
405.28271	0.5
413.25244	0.4
419.29480	0.9
453.30347	0.4
483.29688	4.9
484.29840	0.5
501.30710	3.8
502.31479	0.5
513.28522	1.6
543.33380	100.0
544.33661	14.7
555.59711	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	543.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66283	0.1
57.60823	0.1
59.01381	100.0
60.01728	0.8
60.01987	0.1
61.98839	0.1
67.13573	0.1
69.36911	0.1
73.02958	0.1
91.40405	0.1
97.74590	0.1
119.05103	0.2
120.97329	0.1
143.04965	0.3
145.02934	0.3
146.70825	0.1
161.02448	0.2
185.02237	0.5
187.04007	0.3
293.13358	0.1
293.16776	0.1
347.29736	0.2
461.22037	0.4
483.31146	0.6
543.33655	0.9
566.21033	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	543.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01729	0.7
61.98832	1.3
71.01386	0.6
71.10762	0.8
71.11092	0.4
73.02957	0.6
82.82324	0.4
85.42422	0.5
102.12012	0.5
104.77699	0.4
121.74998	0.4
131.78047	0.4
135.04504	0.6
161.02505	0.7
187.54904	0.4
235.69975	0.4
281.59299	0.4
420.55603	0.5
437.30701	1.0
438.06534	0.5
483.31186	16.9
484.31650	2.0
534.14459	0.6
543.34467	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	543.3325
Annotation	Luvungin A
Peak:m/z	Relative Intensity
52.28881	0.9
53.38456	0.9
59.01379	100.0
61.98823	1.1
71.66173	1.6
78.95919	0.9
85.16409	0.9
85.64145	0.9
99.94028	0.9
112.24160	0.9
133.03014	1.0
141.06210	0.9
152.99579	0.9
161.02423	2.2
178.64311	0.8
182.06989	1.0
192.64629	1.3
245.15150	1.1
453.29929	7.1
454.30670	1.1
469.34012	1.1
483.31067	1.7
543.33795	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	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92966	0.8
55.01862	0.9
57.03424	3.4
58.00573	1.0
59.01381	38.6
61.98829	5.9
64.45351	0.7
68.99806	1.1
70.00158	4.2
71.01383	22.2
72.99306	6.2
73.02930	2.6
75.00877	18.1
78.77635	0.8
83.01366	1.3
85.02953	22.7
87.00887	8.5
89.02454	5.7
95.01385	5.6
98.20642	1.0
99.00887	10.7
101.02391	2.6
103.00327	2.9
109.02914	1.6
111.00861	1.8
113.02456	30.8
115.00319	1.8
117.01875	2.5
129.01898	2.2
131.03418	2.0
133.02834	1.4
135.04539	4.6
137.02321	1.0
151.86745	0.8
157.01309	1.2
161.02460	6.1
175.02480	4.7
179.03346	2.6
191.55345	0.8
205.06972	2.6
239.03680	0.8
249.06093	6.2
249.18541	10.4
267.07211	8.1
270.95157	0.9
275.20172	12.6
284.34406	1.0
293.21274	16.3
294.21344	1.9
341.07199	1.0
347.89075	0.9
395.59210	0.9
525.26184	2.4
543.27527	100.0
544.27875	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	542.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99454	0.4
56.82195	0.4
58.66063	0.4
59.01379	7.5
60.72058	0.4
61.98821	1.1
68.00163	0.4
71.01385	1.8
71.47154	0.4
72.99317	0.6
73.02919	0.7
85.02949	0.7
89.02466	1.3
98.20641	0.8
101.02446	1.4
105.03432	0.9
113.02454	1.2
117.03462	0.7
132.02184	2.4
133.02957	37.8
134.03627	1.8
135.04526	16.0
136.04857	0.7
137.02429	0.5
159.04544	0.9
161.02443	100.0
162.02785	4.0
164.12392	0.5
179.03502	10.6
180.03835	0.6
203.03514	0.8
229.59138	0.5
244.16725	0.4
332.56592	0.4
343.98038	0.4
365.08844	1.5
404.16177	0.9
448.14893	2.5
456.12997	1.6
491.09399	0.5
498.14078	31.1
499.14294	3.4
542.17841	1.4
543.24567	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	542.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
57.88414	0.4
59.01087	0.7
59.01380	13.9
60.01708	0.4
61.98825	2.1
69.43503	3.2
71.01383	4.0
72.99314	0.7
73.02947	1.5
83.01347	0.6
85.02957	1.7
87.00890	0.5
89.02451	2.5
93.03448	0.4
95.01423	0.6
96.96024	0.8
101.02437	3.1
102.87026	0.4
105.03491	0.5
107.05013	0.4
113.02458	2.3
117.03455	0.9
119.03503	0.8
123.04569	0.5
132.02182	2.3
133.02960	36.3
134.03799	2.3
135.04526	21.5
136.04854	1.2
145.02985	0.4
161.02444	100.0
162.02786	4.7
179.03493	15.0
180.03850	0.8
187.11319	0.5
197.04610	0.6
222.79630	0.4
293.12430	0.9
321.37695	0.4
365.08759	1.5
456.12961	1.0
483.30051	0.7
498.14035	35.6
499.14447	4.3
501.30637	1.0
542.15509	0.8
542.23407	1.3
543.24542	0.9
543.33722	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	541.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40462	3.0
52.20499	3.2
59.01379	50.0
61.98818	4.9
67.74282	3.2
71.01395	28.1
73.02951	21.3
83.01388	11.0
85.02923	4.6
89.02434	7.3
92.24018	3.3
98.19898	8.4
101.02444	14.2
109.02905	3.7
113.02447	7.2
119.05033	3.7
127.60281	3.6
133.02946	12.4
133.37325	3.4
135.04497	11.0
145.02959	6.4
149.02446	10.8
152.46631	3.7
161.02467	37.2
163.03976	4.1
165.69019	3.6
179.03503	10.3
185.02179	7.9
229.02722	3.8
267.06622	8.1
275.20081	5.2
293.21167	26.3
303.38635	4.8
311.05484	9.9
437.25470	7.1
455.26422	16.7
497.20673	7.5
497.27539	100.0
498.27786	9.7
511.33792	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	541.3173
Annotation	16-Deoxycucurbitacin B
Peak:m/z	Relative Intensity
59.01381	100.0
60.01714	1.3
60.98264	0.4
61.98841	1.4
69.37094	3.3
69.56039	0.3
70.99603	0.4
73.02957	1.1
76.31567	0.3
84.16183	0.4
85.03307	0.3
108.25193	0.4
133.02957	1.0
135.04565	1.2
161.02393	3.1
176.55528	0.4
179.03526	1.4
211.13364	0.4
295.22870	0.7
308.02216	0.4
314.52823	0.4
397.21371	0.4
431.25317	0.4
481.29712	3.3
482.29813	0.6
499.38864	0.4
505.55869	0.4
541.31976	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	541.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12708	0.3
59.01374	1.4
60.24002	0.3
60.99310	15.6
61.98839	1.7
66.33438	0.3
70.96056	0.5
71.01401	0.6
73.02946	0.3
75.74645	0.3
77.85768	0.3
78.95905	0.5
80.96512	1.4
87.00896	0.3
88.00404	1.2
88.98809	100.0
89.02445	3.9
89.99171	0.7
94.98067	0.3
101.02415	0.3
105.49852	0.3
109.03021	0.4
124.57053	0.3
135.04549	1.1
137.02437	0.6
145.02887	0.5
152.01131	0.4
161.02405	0.6
179.03456	0.5
189.87502	0.3
199.32664	0.3
225.00726	0.5
233.27187	0.3
291.15543	0.3
299.17691	0.3
541.15747	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	541.229
Annotation	Nudifloside C
Peak:m/z	Relative Intensity
52.26313	0.7
57.03442	0.8
57.37390	0.6
58.00562	0.6
59.01382	48.6
61.98843	1.0
71.01384	11.3
72.99318	2.9
73.02960	3.6
73.47450	0.6
75.10416	0.5
81.03439	1.2
82.95409	1.8
83.01379	0.9
83.05043	0.7
85.02941	3.4
87.00848	1.6
88.98814	5.0
89.02444	7.1
93.03445	1.1
95.01379	1.6
101.02439	8.8
107.05024	1.3
107.08633	1.0
108.02190	1.5
109.02967	1.5
109.06591	13.2
111.08167	1.7
113.02444	5.6
117.03446	1.8
119.03522	3.7
119.05023	1.2
123.04531	5.9
125.02486	1.0
127.07658	35.9
128.07980	1.1
133.02950	1.7
135.04515	4.4
137.02420	1.3
139.07599	0.6
141.09219	3.5
145.02946	3.5
147.04526	4.3
150.03195	0.6
151.07646	3.0
152.01135	0.8
153.05562	4.7
161.02422	4.8
161.04517	0.9
163.03979	1.8
163.11229	3.5
166.99945	0.7
171.06641	11.5
175.04051	0.6
177.09248	0.9
179.03444	1.7
182.02180	0.9
195.06657	2.0
197.04533	2.9
207.10291	4.8
213.07646	1.0
225.11296	1.4
273.09729	1.3
319.13882	2.3
340.98691	0.5
369.15530	2.8
379.13940	1.4
387.16583	14.9
388.17126	1.8
481.20816	1.3
497.23877	2.4
523.21912	5.7
541.22906	100.0
542.23364	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	541.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.4
57.03444	4.8
59.01378	95.1
61.98834	11.8
62.48216	1.3
65.80346	1.3
69.29511	5.1
69.29936	7.1
71.01382	35.2
72.81002	1.2
72.99303	5.6
73.02946	13.0
83.01385	4.6
83.05008	5.0
84.90428	1.1
85.02949	12.3
86.49033	1.1
87.00877	8.3
89.02440	28.1
95.01391	3.4
95.04978	1.8
97.06557	2.0
99.00858	3.2
101.02441	27.7
107.05035	5.2
109.02953	1.4
113.02448	21.1
117.03492	2.8
119.03507	11.0
119.04983	1.9
120.05802	3.3
123.04489	2.1
125.02445	1.6
126.90454	1.3
128.59705	1.1
129.01871	2.0
129.05560	3.0
132.02165	2.1
133.02963	35.4
134.03210	6.3
135.04536	23.5
136.04805	2.0
137.02464	2.1
141.05576	1.6
143.03500	3.1
145.02956	2.8
152.04718	1.8
157.06522	1.5
161.02446	96.8
161.04414	9.8
161.09726	12.8
161.13347	4.5
162.01501	1.9
162.02780	23.2
163.04019	1.9
163.11304	1.9
179.03505	15.4
179.05597	3.8
179.10748	2.4
180.03758	1.9
187.11288	20.9
189.09224	11.8
190.38715	1.2
197.04530	3.2
203.10745	2.7
205.12302	12.4
206.12810	1.2
207.10391	2.3
208.03523	1.2
223.13377	6.2
237.37349	1.2
247.11816	10.7
249.11266	4.4
267.06534	1.7
267.12344	6.7
291.10861	53.0
292.11353	2.9
311.05197	1.4
335.22211	4.1
336.22528	7.1
337.22906	7.9
369.15524	2.8
403.89496	1.4
429.17413	2.6
479.22818	2.4
481.13351	1.5
481.20416	1.8
481.28009	1.5
497.23792	5.1
498.13989	14.1
498.24487	1.4
499.29263	1.6
512.94073	1.3
523.21704	1.6
541.15381	11.8
541.22858	100.0
542.15973	2.2
542.23328	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	540.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17876	0.3
51.51580	0.3
61.98833	100.0
64.44732	0.3
69.36134	3.5
77.86620	0.3
84.57739	0.4
93.26079	0.4
98.19884	0.7
105.43903	0.3
116.13386	0.4
137.30347	0.4
186.87189	0.4
392.18204	0.4
409.31418	0.4
455.35291	8.6
456.35638	0.9
456.73154	0.4
540.33057	61.4
541.33313	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	541.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
57.57347	0.6
59.01376	10.8
61.96138	0.7
70.97809	1.7
70.98156	0.7
71.01373	2.3
72.99296	1.9
73.02952	1.7
83.01395	1.8
85.02944	3.2
89.02408	1.2
93.03451	1.3
95.01360	2.0
101.02435	1.5
108.02177	50.0
109.02963	39.3
110.03245	0.8
113.02452	1.2
115.39568	0.7
119.05003	0.9
121.03027	0.8
123.00871	2.2
123.04501	1.2
127.07671	1.4
133.02950	2.1
135.04521	4.5
137.02441	1.8
139.11275	5.8
151.03926	1.5
152.01154	61.3
153.01953	21.1
159.04472	0.7
161.02469	6.3
163.03998	1.6
175.03979	1.3
178.45412	0.8
179.03459	2.1
181.05028	1.2
181.12364	1.4
183.10265	6.1
197.04431	1.1
207.10313	0.8
225.11278	2.7
243.12451	1.3
327.14816	0.8
369.14835	0.8
387.16415	1.0
479.19238	2.6
481.17490	4.9
482.17035	0.9
497.20279	5.9
523.17926	3.8
541.19189	100.0
542.19348	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	541.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03436	4.5
58.00605	1.7
59.01380	95.4
67.05523	1.6
71.01382	40.4
71.66385	1.5
72.79205	1.0
72.99299	4.3
73.02942	7.3
74.96438	0.9
81.03445	1.3
83.01376	6.0
83.05048	6.0
84.26059	0.9
84.32008	0.9
85.02951	14.0
87.00867	7.4
89.01905	1.8
89.02441	30.6
93.03405	2.3
95.01378	3.5
95.05058	1.4
97.06573	2.8
99.00878	2.5
101.02439	29.0
106.98898	1.1
107.05012	6.7
108.02232	1.2
109.02902	2.5
111.04507	1.7
111.08134	3.7
113.02444	19.7
113.42320	0.9
119.03500	13.2
119.04979	1.4
120.05798	2.6
121.02963	2.3
122.03706	2.1
123.00866	1.7
123.04504	2.3
124.01580	1.0
128.42712	1.0
128.90135	2.4
131.03499	1.9
132.02272	1.0
133.02934	7.4
135.04521	6.6
135.11827	1.2
139.03961	1.7
143.03474	2.4
145.02933	1.5
148.05127	1.0
152.04700	1.6
154.86855	1.1
155.63467	0.9
157.06628	1.7
159.08238	0.9
161.02444	28.7
161.04469	8.2
161.09720	16.0
161.13327	7.4
162.02679	1.5
163.11247	2.1
166.99858	1.9
173.08110	1.7
179.05571	3.6
179.10776	2.2
181.05051	12.9
182.02155	3.7
187.11275	19.5
188.11626	1.3
189.09219	12.5
197.04532	3.5
203.10829	1.4
205.12323	11.8
205.38817	1.1
207.10159	3.7
223.13406	5.9
247.11804	9.1
249.11307	5.1
259.71628	1.1
267.12363	5.4
291.10855	62.6
292.11221	3.0
339.14401	1.0
353.16092	1.4
369.15353	4.0
429.17215	1.1
479.22253	1.6
481.21201	1.3
481.27902	2.5
497.23941	4.8
523.21301	1.7
530.16815	1.1
541.22772	100.0
542.23187	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	540.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60212	0.5
59.01373	1.3
61.98832	0.6
68.19554	0.5
69.34299	5.4
71.01403	1.1
72.99323	0.6
90.40618	0.5
92.05061	0.8
94.06621	1.8
104.05067	0.9
105.03436	0.6
107.03765	7.2
108.24030	0.5
110.02473	1.3
112.04057	2.0
114.05605	1.6
116.05051	7.1
120.04555	0.7
122.06126	44.9
123.03275	5.4
123.06441	1.2
124.04011	4.1
132.04539	6.2
134.06102	2.9
135.04443	0.7
138.05617	19.1
139.02740	2.8
140.07162	1.1
150.05595	1.5
152.07173	100.0
153.07480	2.2
156.06636	0.6
157.67856	0.5
158.02493	3.6
160.04042	23.3
161.02443	0.6
161.04503	0.8
164.07158	5.3
166.05083	1.3
172.04048	1.6
176.03491	0.7
182.04561	0.9
182.66611	0.5
184.06232	2.7
190.05095	14.7
191.05368	0.9
192.06667	71.7
193.07016	3.6
204.06720	1.5
212.10849	0.8
255.11400	2.6
267.11472	1.0
271.07318	0.9
272.09479	0.8
281.09329	2.2
293.09488	0.9
295.10947	0.9
297.12344	1.2
299.10431	1.1
323.10364	1.5
325.11929	20.7
326.12198	1.3
329.15048	1.1
338.33286	0.6
355.13013	11.6
356.13120	0.7
357.14557	64.3
358.14853	4.7
418.14160	0.6
420.19183	1.4
436.15027	1.6
437.17130	0.9
446.17188	2.4
464.18277	14.4
465.17407	2.8
468.17722	2.2
478.20065	1.3
490.16049	3.4
496.21008	2.3
508.17218	25.8
509.17523	3.6
522.18774	3.6
540.19836	9.9
541.20465	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	540.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59858	0.7
59.01382	1.6
61.98833	4.2
70.07517	3.4
71.01376	1.4
85.48522	0.6
94.06610	1.7
100.39545	0.7
107.03768	8.4
108.02162	1.1
108.14417	0.7
110.02478	1.3
112.04060	2.4
113.02433	0.6
116.05079	7.9
120.04567	1.5
122.06123	42.6
123.03255	4.3
123.06445	0.8
124.04038	3.0
124.07667	1.0
132.04544	5.6
133.02884	0.7
134.06133	1.5
135.04536	2.9
136.04984	1.1
137.02492	0.7
138.05600	14.5
139.02747	3.5
140.07205	1.1
140.36835	0.7
152.07173	100.0
153.07527	2.4
158.02454	2.7
160.02708	1.4
160.04045	27.2
161.02504	1.8
161.04396	0.9
164.07175	5.2
166.05151	0.8
172.04054	0.9
179.03342	0.7
182.04655	0.8
184.06123	2.3
190.05080	13.4
192.06665	70.9
193.07021	3.2
204.06673	2.6
212.10829	0.8
214.08769	0.8
219.59332	0.7
253.09760	0.8
255.11378	3.0
256.09647	0.8
266.06805	0.8
267.11441	1.0
281.09351	3.4
293.09406	1.8
297.12524	0.8
312.97748	0.7
323.10361	1.0
325.11932	32.5
326.12088	1.7
329.07507	0.8
329.15207	1.4
329.21106	0.8
355.12979	13.3
356.13510	0.9
357.14542	56.6
358.14877	6.5
420.19479	1.8
436.15015	1.4
446.17007	4.0
451.85788	0.8
464.18271	15.6
465.17212	2.5
468.17798	2.3
477.14160	1.6
478.19858	2.0
490.16080	3.3
496.20404	1.2
508.17215	16.7
509.17801	2.0
522.19098	4.5
522.99628	0.8
540.19879	8.4
541.20074	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	539.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98423	0.6
55.01882	1.4
57.03450	0.7
58.00575	0.6
59.01382	55.6
60.01711	0.8
61.98819	2.3
69.03441	1.3
70.95586	0.6
71.01386	24.4
71.32050	1.0
72.99301	2.2
73.02532	1.1
73.02952	23.0
76.06569	0.5
78.95921	0.7
79.95757	0.8
80.05073	3.9
80.96514	1.6
83.01396	6.4
83.05047	1.1
85.02962	3.8
87.00852	0.6
89.02455	5.1
94.24900	0.6
95.01421	0.7
95.05009	0.7
96.96019	1.8
97.06550	0.7
99.00900	1.1
101.01788	1.0
101.02451	19.9
106.06614	1.5
113.02447	4.9
116.92883	0.7
117.03493	0.7
119.03497	1.9
121.02954	2.9
122.62766	0.6
125.02441	0.7
131.03490	1.4
131.08694	1.0
133.02948	2.1
134.06128	2.7
134.07202	0.7
135.04506	2.0
139.07680	0.9
145.02948	3.3
147.08115	0.8
149.09726	5.6
152.99612	0.9
161.02440	4.4
161.04543	2.6
162.02794	1.0
167.10757	6.2
179.03516	1.3
211.08842	0.7
225.00757	1.0
227.11835	3.2
237.10178	0.7
239.11871	6.3
253.13414	1.2
287.14072	1.8
287.20059	0.8
307.16971	0.7
316.14420	0.7
317.21307	1.9
332.17722	2.4
344.17636	1.2
359.72485	0.7
479.24850	8.5
480.25375	1.2
485.32578	1.7
497.27594	5.3
501.32599	0.9
503.33804	10.7
504.34091	1.2
509.27332	1.5
521.27808	5.8
522.28021	0.9
539.28577	100.0
540.28912	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	540.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84766	0.8
58.30282	0.9
59.01379	8.6
61.98834	72.4
69.57388	6.6
71.01381	4.2
72.99303	3.5
82.90336	0.8
85.02962	1.3
87.00898	0.9
89.02460	1.0
96.96024	0.9
101.02438	0.8
102.13477	0.8
108.02144	2.0
108.73927	0.8
109.02988	4.2
113.02441	1.0
117.03484	1.2
119.05093	1.2
120.89890	0.8
123.04523	38.0
124.04794	1.6
128.07195	1.4
132.02173	1.1
133.02956	21.9
134.03569	1.1
134.81396	0.8
135.04530	23.5
136.04814	1.5
137.02423	1.4
145.02946	1.5
147.04454	1.0
149.06116	1.2
152.01106	2.0
153.01830	2.1
153.05579	44.1
154.05891	1.4
161.02446	100.0
162.02792	3.8
163.04092	1.2
172.21053	0.9
177.05565	2.9
179.03481	15.5
180.03778	1.2
197.04645	1.1
203.03450	1.9
221.04504	2.6
232.60097	0.7
272.09933	0.8
280.05911	1.1
315.10919	1.8
323.07721	22.7
324.08237	1.5
360.08350	1.2
477.13998	91.4
478.14340	9.5
518.33960	1.0
539.34222	1.5
540.17047	5.2
541.18549	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	539.2866
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
55.01884	0.9
57.03457	0.5
57.31815	0.2
58.00596	0.7
59.01382	43.9
60.01719	0.4
61.98848	0.4
66.53140	0.2
69.03458	0.8
71.01385	19.5
72.01753	0.2
72.99324	0.8
73.02950	25.1
73.52868	0.2
75.00886	0.4
80.05066	0.6
80.58176	0.2
81.03468	0.3
83.01389	6.3
83.01866	0.4
83.05027	0.7
85.02958	3.2
85.03436	0.3
87.00888	0.9
89.02446	4.6
95.01376	0.5
96.96040	0.3
97.02943	0.2
97.06611	0.6
98.19875	0.5
99.00900	0.8
101.02446	20.1
113.02446	4.2
119.03513	1.1
119.08740	0.4
120.05824	0.2
125.02473	0.6
129.99069	0.2
131.03531	1.0
131.08685	1.2
133.06604	0.2
134.06178	0.5
134.07312	0.3
139.07669	0.2
143.03534	0.9
147.08162	0.8
149.04562	0.8
149.09726	5.4
155.03525	0.4
161.02460	0.6
161.04550	2.4
167.10779	5.4
169.12357	0.3
191.14487	0.2
203.05746	0.3
205.15955	0.4
222.23607	0.2
227.11923	0.4
237.14955	0.3
239.11899	0.9
243.21413	0.3
253.13248	0.3
271.20676	0.7
273.22345	0.4
287.20187	0.4
305.21194	0.5
317.21268	1.8
335.22318	0.7
467.26605	0.5
479.26099	2.4
497.27609	4.6
498.28143	0.4
503.33728	0.4
509.27634	1.3
521.20331	0.5
521.27557	6.2
522.27924	1.0
539.28607	100.0
540.28955	14.8
556.59888	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	539.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.9
61.58627	1.8
61.98818	3.3
66.24665	1.9
69.40273	11.8
69.40674	4.2
71.01366	2.3
72.99300	3.3
77.68258	2.1
98.20728	3.2
111.71223	1.9
133.02963	14.8
135.04520	7.8
159.04495	2.2
161.01115	1.9
161.02452	36.0
162.02754	4.8
163.03024	2.7
179.03459	4.0
268.94730	2.0
311.05359	2.5
387.19791	2.1
421.31607	2.8
441.33716	4.7
457.32935	2.7
495.22562	6.5
503.33810	100.0
504.34119	10.5
539.24255	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	539.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	35.6
61.01816	2.6
61.98817	8.7
63.04808	2.6
80.72816	2.9
84.07326	2.6
87.50834	2.3
97.79202	2.8
98.19839	5.8
117.03448	4.0
119.05046	3.9
133.02945	5.6
135.04535	8.1
145.02954	17.7
161.02454	15.2
163.04016	5.0
166.58415	3.1
179.03423	3.2
206.63937	2.6
311.22446	4.0
361.97144	2.7
407.29596	6.7
408.29053	2.4
440.13852	4.4
457.32965	3.7
485.32693	9.8
503.33792	100.0
504.33908	13.8
539.27289	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	539.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	36.4
61.98822	8.8
62.36346	2.1
70.06973	4.9
70.07362	5.8
71.01379	7.6
71.05027	3.0
72.99300	6.4
73.02942	2.7
75.84839	2.2
78.95896	3.0
81.92510	1.9
82.95412	4.5
84.41636	2.0
85.02917	2.3
89.02422	3.1
96.19212	2.0
96.96027	2.5
98.20005	2.9
101.02422	3.1
109.02958	2.8
113.02442	3.3
114.17481	2.4
116.92829	2.7
117.03492	2.8
117.93042	1.9
119.05036	2.9
126.90486	2.8
133.02910	7.8
135.04515	13.5
137.02423	2.2
139.07678	7.6
145.02942	9.7
149.02516	2.4
155.65120	2.3
161.02419	19.6
163.03975	3.6
179.03494	7.7
252.07851	2.2
311.22025	2.3
370.72937	2.3
423.28912	3.5
467.31555	3.8
485.32745	11.5
503.33844	100.0
504.34137	12.8
539.11206	3.0
539.26904	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	539.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
62.02443	0.4
63.96225	1.1
71.01384	7.1
71.02831	0.8
73.02946	1.2
78.98595	5.7
79.95732	8.7
80.96516	62.9
81.03452	0.6
84.24020	0.5
85.02943	3.8
87.00886	2.2
87.47276	0.4
94.98088	13.5
96.96001	0.7
97.02944	1.2
99.00855	0.5
99.04535	0.5
101.02437	1.6
106.98087	3.5
113.02433	0.5
122.97601	2.0
125.02443	2.6
127.04015	0.8
134.97586	4.4
136.99136	1.0
146.97668	0.4
148.99141	6.7
152.98634	4.8
164.78784	0.4
164.98625	11.0
165.98997	0.4
167.00215	0.7
206.99677	1.7
225.00739	13.3
239.20128	1.7
241.21597	0.7
299.04388	3.0
417.86575	0.4
479.66492	0.5
539.25305	100.0
540.25635	10.3
543.79999	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	539.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39214	0.5
56.75382	0.6
57.03441	1.7
58.00584	0.7
59.01383	67.3
60.01713	0.9
61.98819	1.6
69.03439	0.8
70.38953	2.1
71.01385	22.9
72.01711	0.7
72.99307	1.8
73.02946	9.5
78.95884	0.9
83.01393	3.4
83.05010	1.1
85.02955	13.8
87.00876	0.7
89.02451	7.6
91.37316	0.7
95.01388	3.0
97.02975	1.0
97.06584	0.7
98.19827	0.6
99.00870	1.9
101.02446	17.4
107.80653	0.6
113.02447	17.9
115.92084	1.5
116.92862	3.9
119.03531	3.4
119.05008	0.7
123.31863	0.6
125.06100	0.5
128.72697	0.6
131.03476	1.5
131.08682	1.4
133.02927	2.1
135.04507	2.5
143.03517	0.8
145.02924	0.8
149.04549	1.3
149.09706	4.4
152.99579	0.9
161.02455	4.2
161.04572	2.3
167.10779	5.9
261.57721	0.6
305.54242	0.6
317.21100	1.3
335.22159	1.5
415.26355	0.7
435.29166	2.7
449.25735	1.4
461.25452	2.4
479.26535	21.8
480.26672	3.3
497.27713	4.8
498.28268	0.9
503.33835	1.4
509.27609	0.9
521.27588	4.7
539.28613	100.0
540.28845	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	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80094	0.5
57.03426	0.4
59.01381	7.6
61.98809	1.5
71.01397	2.7
72.99303	1.7
73.02955	1.0
85.02946	0.5
89.02435	1.0
92.05904	0.4
101.02435	1.7
109.02956	1.5
113.02425	1.6
117.03466	30.2
118.03758	0.9
119.05022	15.4
120.05358	0.6
121.02965	0.5
123.04538	1.3
133.02954	2.1
133.03896	0.6
134.06224	0.7
135.04504	6.1
137.02402	0.9
143.05005	2.0
145.02948	100.0
145.62617	0.5
146.03271	3.7
161.02463	7.6
161.04549	0.8
163.04007	19.4
163.05392	1.1
164.04352	0.9
179.03491	4.3
187.03998	4.3
192.04442	0.4
197.04526	1.8
201.78580	0.4
207.06586	0.5
256.09775	0.9
268.62634	0.5
323.43631	0.5
359.07605	2.4
377.08392	0.5
381.47644	0.5
471.86038	0.5
495.22339	46.4
496.22797	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	539.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
61.98832	10.3
71.01387	2.9
71.76016	1.2
72.98919	2.4
72.99310	38.7
73.02943	1.2
77.77432	1.0
78.95917	4.3
82.88981	1.2
89.02428	2.0
89.88139	1.2
91.21181	1.4
96.57617	1.4
96.96021	1.3
101.02410	2.0
105.03465	1.1
108.02181	2.3
109.02948	5.8
123.04523	11.8
126.90461	1.3
133.02983	8.9
134.03731	2.1
135.04530	100.0
136.04903	3.0
137.02429	3.7
149.02422	1.8
151.04007	4.5
153.09268	2.7
155.06865	1.3
161.02449	33.3
165.01895	1.4
167.03496	2.2
171.00615	1.4
177.02032	1.5
179.03505	36.2
197.04564	63.5
198.04858	3.0
215.09264	2.0
255.06714	1.4
297.10138	1.5
341.09076	6.5
343.10419	1.6
350.45895	1.3
359.09930	84.8
360.10641	5.9
377.14514	2.5
441.26120	1.4
477.61536	1.3
521.13446	7.5
539.20038	7.6
539.26721	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	539.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
61.98832	10.3
71.01387	2.9
71.76016	1.2
72.98919	2.4
72.99310	38.7
73.02943	1.2
77.77432	1.0
78.95917	4.3
82.88981	1.2
89.02428	2.0
89.88139	1.2
91.21181	1.4
96.57617	1.4
96.96021	1.3
101.02410	2.0
105.03465	1.1
108.02181	2.3
109.02948	5.8
123.04523	11.8
126.90461	1.3
133.02983	8.9
134.03731	2.1
135.04530	100.0
136.04903	3.0
137.02429	3.7
149.02422	1.8
151.04007	4.5
153.09268	2.7
155.06865	1.3
161.02449	33.3
165.01895	1.4
167.03496	2.2
171.00615	1.4
177.02032	1.5
179.03505	36.2
197.04564	63.5
198.04858	3.0
215.09264	2.0
255.06714	1.4
297.10138	1.5
341.09076	6.5
343.10419	1.6
350.45895	1.3
359.09930	84.8
360.10641	5.9
377.14514	2.5
441.26120	1.4
477.61536	1.3
521.13446	7.5
539.20038	7.6
539.26721	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	539.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01139	0.6
59.01381	8.1
66.18138	0.6
69.44468	4.0
71.01382	3.6
72.99330	2.7
72.99625	0.5
73.02939	2.1
75.87607	0.5
81.03463	1.1
83.01392	0.6
85.02954	3.2
86.23004	0.5
86.26272	0.5
87.00893	1.3
95.01374	2.4
98.19895	1.3
99.04505	0.7
101.02433	1.2
106.76760	0.6
108.02177	44.2
109.02959	39.2
110.03284	0.6
112.22240	0.5
113.02431	0.9
121.02947	1.2
122.06102	0.9
123.00896	1.9
123.04525	1.7
125.02441	1.0
126.54869	0.6
133.02959	2.8
135.04530	8.1
137.09727	3.4
151.03993	0.8
152.01152	57.8
152.07179	1.6
152.79634	0.6
153.01945	20.2
161.02441	17.0
161.04515	0.8
161.09741	1.2
162.02745	0.8
163.03981	1.2
163.07671	1.7
165.01868	0.6
179.03554	3.8
179.10840	1.4
181.08682	1.7
192.06631	1.5
197.04608	3.2
223.09770	0.6
315.07248	3.2
340.13647	0.8
341.06595	0.9
357.14490	1.4
359.07727	5.2
360.08145	0.8
377.08771	1.0
477.17703	4.2
479.15579	3.1
495.18707	5.5
508.47116	0.7
517.93103	0.6
521.10272	0.9
521.17059	1.2
539.17664	100.0
540.17908	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	539.1195
Annotation	Yunnaneic acid D
Peak:m/z	Relative Intensity
55.70511	0.6
59.01386	1.7
71.01398	1.1
71.62836	0.7
72.99306	10.6
78.95937	0.7
89.02483	0.7
89.46324	0.6
91.05534	0.8
96.96003	0.8
98.16109	0.6
101.02456	1.0
107.05028	2.2
108.02199	2.1
109.02965	7.1
110.11998	0.6
115.92094	1.3
120.43503	0.5
121.02975	0.7
123.04534	4.3
133.02962	14.4
134.03732	5.1
135.04530	100.0
136.04869	3.8
145.02986	0.8
145.30692	0.6
149.06097	5.8
151.03995	1.2
152.01160	1.7
153.01974	1.4
161.02449	77.5
161.06000	2.8
162.02783	3.5
172.54803	0.5
175.04012	1.1
179.03496	30.3
180.03857	1.2
187.04021	2.1
197.04559	17.6
205.04958	1.0
241.14651	0.6
243.06497	0.8
255.06630	3.9
271.09708	0.7
289.78839	0.6
297.07626	3.3
303.74850	0.7
315.08813	2.9
341.06567	1.0
359.07724	15.3
360.08203	1.4
373.47159	0.7
449.35721	0.6
495.12750	1.1
521.12939	1.2
539.17877	1.1
554.74768	0.7
554.82532	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	539.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66484	1.2
58.00584	1.3
59.01384	29.8
63.92344	1.1
68.94022	1.2
71.01390	29.8
71.60727	1.6
72.99297	1.4
73.02958	2.3
74.82668	1.0
85.02950	5.6
87.00893	7.2
89.02449	42.8
95.01386	3.2
97.02961	1.3
101.02440	20.7
102.32672	1.3
113.02454	18.0
119.03495	8.8
125.02444	1.3
130.50143	1.3
131.03497	1.8
143.03508	4.6
161.04591	9.7
179.05618	38.8
221.06650	16.6
251.49536	1.4
274.82205	1.3
281.08679	2.2
323.09824	4.9
341.10782	6.1
377.08511	13.4
383.12085	2.5
503.16208	100.0
504.16281	9.1
539.13867	48.1
540.14240	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	539.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87987	2.0
59.01383	33.3
70.80637	3.9
70.80984	2.7
71.01386	33.6
73.02957	2.9
78.95918	11.9
85.02952	7.1
87.00868	5.0
89.02450	36.6
89.52023	1.7
95.01411	3.7
96.96967	2.0
101.02449	23.5
113.02461	24.3
119.03535	8.6
131.03578	2.6
134.04704	2.6
143.03546	4.2
158.92615	3.5
161.04541	11.6
179.05603	40.8
185.35353	1.8
185.37221	2.0
221.06706	16.0
281.08578	1.9
312.17621	1.6
323.09781	8.3
328.04697	3.0
341.11011	4.2
377.08496	14.0
503.16220	100.0
503.37189	2.1
504.16504	10.7
526.17206	2.1
539.13879	55.3
540.05304	4.9
540.13318	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	539.1195
Annotation	Yunnaneic acid D
Peak:m/z	Relative Intensity
50.83570	0.3
58.01542	0.3
59.01377	12.8
61.98829	3.8
65.03959	0.3
69.50625	1.3
69.51050	1.2
71.01375	2.2
72.99307	22.5
73.02953	1.3
73.99635	0.4
80.96542	0.5
81.03437	0.3
83.01402	0.8
85.02956	1.2
85.19480	0.3
87.00874	0.6
88.98805	0.6
89.02453	1.2
89.03998	0.6
91.05518	0.4
93.03472	0.7
93.30643	0.3
95.01402	0.3
101.02429	2.4
107.05029	2.4
108.02190	0.9
109.02951	5.4
110.03293	0.8
113.02448	1.5
117.03469	3.4
119.03520	0.5
119.05044	0.6
121.02988	1.0
122.03752	0.5
122.06133	0.9
123.04521	9.7
132.02153	0.3
133.02962	6.7
134.03751	4.0
135.04523	100.0
136.04865	3.9
137.02422	1.1
137.06131	0.4
137.09787	0.4
145.02899	0.6
147.04483	0.4
149.06033	0.8
149.09714	1.5
151.03999	2.0
152.01146	0.9
153.01947	9.1
153.05511	1.7
154.02283	2.3
155.02402	1.5
156.28467	0.3
161.02440	17.4
162.02786	0.5
163.04044	0.9
167.03389	0.7
167.10733	0.4
168.03783	0.6
175.04018	0.8
177.01889	0.7
178.02652	0.8
179.03493	36.0
180.03799	1.3
183.46460	0.3
191.03410	0.4
193.05045	0.4
197.04546	19.9
198.05107	0.4
205.01418	5.3
219.03139	0.6
222.29851	0.4
295.15750	0.3
333.09756	0.8
341.06433	3.3
359.07693	15.3
360.07822	0.9
377.08743	58.2
378.09073	4.4
387.16608	1.0
388.16916	0.6
389.17120	0.6
507.16187	0.9
508.17438	0.4
539.11951	3.9
539.20306	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	539.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.4
59.01380	16.3
61.98829	4.3
64.68420	0.4
71.01382	4.0
71.43216	0.7
72.99310	22.1
73.02928	2.3
81.03464	0.5
83.01398	0.7
85.02942	0.6
88.19748	0.5
89.02439	1.1
89.03989	0.7
90.02759	0.5
91.05560	0.7
93.03468	0.6
101.02464	2.7
107.05009	2.2
108.02165	1.0
108.33843	0.4
108.96225	0.5
109.02936	5.4
110.03296	0.9
113.02444	1.4
117.03459	3.8
119.03487	0.5
122.06066	0.9
123.04530	8.5
123.05437	0.6
125.00372	0.4
126.47343	0.5
132.02199	0.5
133.02960	5.7
134.03766	3.9
135.04524	100.0
136.04872	3.7
137.02470	1.2
137.09737	0.6
145.02998	0.6
149.06065	1.2
149.09741	1.7
151.03995	1.8
152.01137	0.7
153.01926	8.4
153.05565	2.4
154.02283	1.8
155.02328	0.9
160.01759	0.5
161.02452	17.3
161.04486	0.7
162.02791	0.6
163.04002	0.6
167.03531	0.8
167.10812	0.8
175.03969	0.9
178.02768	0.9
179.03488	36.7
180.03815	1.4
186.20494	0.4
197.04555	18.7
198.04825	0.5
205.01424	5.2
221.06363	0.5
333.09607	0.6
341.06546	3.7
350.70782	0.4
357.94424	0.4
359.07700	14.9
360.07947	1.0
377.08759	59.5
378.09137	4.7
387.16516	1.2
402.86377	0.5
459.13037	0.6
495.22562	0.7
507.16068	1.2
535.29047	0.5
538.20093	1.3
539.11932	2.3
539.20386	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	537.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03433	2.3
58.00604	1.0
58.00967	0.5
59.01380	100.0
60.01708	1.2
61.98837	2.5
71.01383	27.6
71.65672	0.7
72.01716	0.6
72.99311	3.3
73.02949	6.1
80.05031	1.0
80.91695	0.4
83.01383	3.3
85.02439	1.0
85.02951	14.0
87.00906	1.3
89.02447	5.9
95.01389	3.0
95.05007	0.5
97.02921	0.5
97.06606	0.6
98.97860	0.5
99.00877	3.1
101.02444	14.6
104.05026	0.7
106.06676	0.5
107.05032	0.8
109.02949	1.9
113.02449	23.8
117.03439	3.5
119.05051	2.7
121.03025	0.6
122.06120	3.3
123.04527	5.6
123.06451	1.0
124.04870	1.0
125.02486	0.8
132.02141	0.4
133.02948	4.0
133.63437	0.4
134.03748	1.5
134.06136	1.2
135.04535	11.0
135.06374	0.5
136.04897	1.5
137.02417	1.1
137.06071	1.1
143.03566	1.2
145.02960	11.7
146.06174	0.5
147.04488	0.6
151.04085	0.6
152.07173	5.9
153.07570	2.0
159.03067	0.7
159.04506	0.9
161.02483	10.4
161.04546	15.3
162.02820	1.8
163.04025	2.8
175.04060	0.8
179.03488	3.8
179.10843	0.8
180.03842	0.6
180.06671	0.8
181.05208	0.8
187.11447	0.5
188.07222	2.2
189.07565	1.5
197.04526	2.2
199.07538	0.6
226.10791	0.6
229.01488	1.5
235.13348	0.5
252.08926	0.8
253.09787	1.5
265.09778	0.7
267.06503	0.8
268.11719	0.5
278.10406	0.5
280.08176	0.6
293.04510	0.6
294.10214	0.5
295.06012	0.7
295.10880	3.4
296.11197	3.9
297.18597	0.9
307.10834	0.9
308.11270	1.0
315.19638	3.8
333.20721	1.2
339.05124	4.0
351.23154	0.5
358.92816	0.6
359.07834	0.5
364.15430	0.7
375.27008	0.5
379.17908	0.7
457.21918	0.6
459.23859	6.0
460.18826	0.8
461.19101	12.8
462.19720	0.7
477.19058	0.5
477.24713	2.3
477.30978	0.7
493.21002	0.8
501.28708	1.5
505.18042	14.2
506.18521	1.0
537.22449	7.7
537.32861	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	538.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	45.6
61.63173	2.0
61.98830	100.0
62.94092	1.9
71.01383	11.9
72.99318	6.6
73.02949	9.9
75.00896	2.2
83.01382	6.0
85.02969	4.2
89.02444	4.7
89.38164	1.7
94.05332	1.7
101.02448	19.0
108.02158	4.0
109.02943	8.6
109.06595	4.0
113.02485	5.2
119.03523	3.7
119.05001	3.7
122.06098	4.4
123.04521	3.2
127.07664	2.4
133.02954	5.6
135.04527	22.7
136.04843	2.8
137.02475	2.2
138.05574	3.6
145.02945	8.2
146.03314	2.3
149.04581	4.2
150.43152	2.1
152.07178	5.4
152.99602	2.2
153.01973	13.5
153.09206	5.2
161.02438	22.7
161.04562	6.6
162.02779	3.9
163.04042	4.5
179.03459	5.4
188.07292	2.6
197.04590	5.5
209.15454	5.2
221.06429	2.5
247.60432	1.9
253.09683	3.5
293.09238	4.1
309.08713	3.4
323.10297	6.7
325.11829	4.7
339.05106	3.7
353.11444	2.5
355.12985	14.4
371.20804	4.6
389.21686	3.1
418.17685	2.8
431.22751	12.6
462.19205	7.4
506.18198	8.3
538.22253	5.6
538.32501	2.9
539.17896	2.7
539.25092	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	537.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.1
59.01381	13.2
68.99828	0.4
69.39762	1.2
71.01391	0.5
72.99318	0.4
73.02964	0.2
83.01404	0.2
85.02956	0.3
89.03984	0.2
93.03460	0.3
97.02947	0.1
101.02446	0.5
113.02482	0.2
115.05598	0.2
116.02647	0.1
117.03468	33.2
118.03796	1.1
119.05025	12.5
120.05359	0.4
121.02962	0.9
123.04536	0.2
124.71398	0.1
125.02425	0.2
133.02960	0.3
135.02962	0.3
135.04578	0.6
136.04747	0.1
137.69630	0.1
143.05025	3.5
144.05365	0.2
145.02954	100.0
145.12289	0.3
146.03294	3.7
152.07141	0.2
161.02403	0.9
161.06105	0.2
162.03226	0.9
163.04007	18.3
164.04332	0.8
179.03500	0.3
187.03998	6.1
188.04321	0.3
197.04622	0.1
227.07120	0.3
232.71477	0.1
271.06100	0.3
339.04968	0.2
373.20401	0.1
417.19226	1.3
435.20389	0.3
461.19034	0.3
477.21298	3.4
478.21545	0.2
495.22562	0.8
496.22717	0.1
505.18024	0.3
537.23389	24.1
538.23749	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	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22752	0.7
55.82719	0.7
59.01386	6.9
63.20169	0.8
69.03474	1.1
69.45374	6.4
71.01376	3.0
73.02933	1.2
81.03458	3.3
83.01365	1.6
83.05035	2.7
85.02943	3.1
93.03461	1.6
95.05032	6.4
98.20573	1.5
101.02440	0.9
108.02174	40.9
109.02965	33.0
109.06544	3.6
113.02444	1.5
121.02936	1.8
123.00862	1.0
123.04520	3.2
127.20492	0.7
135.04514	1.9
135.08157	2.7
136.16287	0.7
141.05592	1.5
144.31596	0.9
151.04010	2.8
152.01151	44.9
153.01947	24.5
153.05493	0.8
159.08139	0.8
161.06094	1.2
163.03966	1.0
175.07645	1.4
177.09207	10.5
178.09636	0.8
179.07149	1.7
195.10403	1.0
213.70030	0.7
221.08240	2.1
239.09268	1.1
290.57193	0.8
315.07242	14.1
315.10898	1.3
316.07629	1.0
339.05002	2.2
493.17487	4.9
537.16132	100.0
538.16437	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	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.0
61.98829	2.2
65.03966	4.1
67.01893	1.7
71.01385	1.4
72.99310	8.6
73.02901	0.6
81.03448	0.5
85.02969	0.8
89.02471	0.8
91.01891	1.8
93.03429	1.3
95.05011	0.9
96.19006	0.5
100.50687	0.7
101.02444	1.3
105.03445	0.8
108.02187	0.8
109.02956	27.6
110.03347	0.9
113.02506	1.2
117.03465	0.8
119.05032	1.1
121.02935	1.9
123.04523	3.5
132.02159	0.8
133.02962	9.1
134.03702	1.1
135.00890	11.0
135.04533	15.0
136.01385	0.5
136.04901	0.7
137.02434	1.0
145.02934	2.5
147.04567	0.6
151.04015	3.7
153.01938	100.0
154.02228	2.6
161.01094	1.3
161.02444	27.4
162.02792	2.0
163.04039	1.0
177.01918	0.8
178.02647	0.7
179.03510	6.8
193.05130	1.0
197.04544	7.5
211.91237	0.6
215.39345	0.6
229.01297	0.8
249.05733	0.7
267.06519	1.3
295.06195	1.3
311.05679	0.7
313.06879	0.8
331.08252	8.5
339.05078	6.7
340.05408	0.7
357.06241	1.1
359.07870	2.0
360.95810	0.6
477.30670	0.8
493.11624	1.7
536.32788	2.4
537.19769	0.7
537.32666	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	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.8
59.14957	0.6
61.98825	1.9
69.03450	1.3
71.01385	2.5
71.13168	1.1
71.15180	0.5
72.99300	3.6
73.02950	2.0
73.92852	0.7
78.91885	2.9
79.05514	0.7
81.03442	3.9
81.03823	0.4
83.01381	5.0
83.05016	2.7
85.02956	1.4
93.03457	1.1
95.05035	7.3
97.02992	0.7
101.02442	1.8
107.05035	0.7
108.02164	1.9
109.02952	11.9
109.06594	3.6
110.03275	0.7
113.02514	0.8
117.03430	0.6
119.04980	0.9
121.02963	1.7
123.04527	75.2
124.04851	2.8
133.02972	1.6
134.03786	1.0
135.03577	0.9
135.04533	9.0
135.08162	3.0
136.04848	1.1
137.02405	1.2
141.05598	1.0
145.02951	3.6
146.03769	0.7
147.04504	5.4
151.04034	0.6
152.01140	0.6
153.01955	2.3
153.05577	100.0
154.05887	3.8
157.02963	1.9
159.04535	4.4
159.08130	0.7
161.02435	6.7
161.06117	1.2
162.02829	0.8
163.03923	1.2
165.05551	0.7
173.02437	0.7
175.04001	1.3
175.07593	0.8
177.09201	10.3
179.03529	3.2
179.07120	1.4
180.03853	0.7
185.02423	1.9
195.10225	2.7
197.04582	2.9
203.03543	1.4
203.07147	2.7
221.06212	0.9
221.08107	3.0
223.07661	0.6
229.01389	12.4
235.09840	1.6
237.05551	0.9
239.07130	1.0
239.09201	4.9
245.08179	1.6
249.05640	2.8
250.06343	1.6
253.04947	0.7
263.09274	1.9
265.05161	0.9
266.05875	0.7
267.06604	7.5
269.08179	3.8
277.05066	4.2
278.05786	0.8
285.04102	0.7
287.09225	1.9
293.04535	2.2
294.05328	1.5
295.06094	6.9
305.10248	1.7
313.07254	0.8
315.10852	14.8
316.11435	1.1
323.11304	0.9
331.08713	0.6
339.05075	34.1
340.05426	3.1
357.06100	1.3
361.10352	0.9
361.41660	0.6
383.13412	3.8
536.34515	1.7
537.19830	43.9
537.33960	2.6
538.20081	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	537.106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71154	7.6
58.59274	7.7
58.59573	7.7
59.01383	82.5
69.77280	25.6
69.77673	13.3
71.01388	66.6
72.71127	6.6
72.99311	18.6
73.02953	16.2
81.03445	8.5
83.01369	8.6
83.05000	8.9
85.02937	18.1
85.37185	8.0
89.02449	87.9
93.03458	9.2
94.98568	7.4
95.05022	22.7
97.02950	11.9
99.00866	12.7
101.02435	30.8
109.02955	100.0
110.03273	19.4
112.99711	8.2
113.02443	14.0
119.03513	9.4
123.04557	17.9
125.02434	28.2
131.03496	13.9
133.02940	31.0
135.04572	54.9
135.08157	9.8
136.08505	7.8
149.04541	14.7
151.03999	14.0
153.01938	17.3
159.04510	29.6
160.04893	9.6
161.02414	35.8
168.04254	12.4
169.08641	15.7
175.03929	8.8
177.01994	10.2
177.09216	25.1
178.09444	10.0
179.03435	13.3
197.04495	12.1
203.03445	27.0
204.03850	10.4
208.15498	9.3
213.07753	11.3
215.82016	10.2
233.06712	17.9
254.06056	9.7
269.08304	38.7
293.08771	57.2
295.05972	13.6
313.07147	19.7
339.04993	16.0
357.06250	44.2
358.06625	12.0
359.07562	10.9
367.90039	8.1
375.12720	19.3
536.20728	23.0
537.20538	87.5
538.21295	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	537.1613
Annotation	2''-Epifraxamoside
Peak:m/z	Relative Intensity
58.39539	0.7
58.93094	0.7
59.01134	0.8
59.01382	10.1
59.16883	0.7
61.98817	2.1
70.94868	1.8
71.01370	4.4
73.02939	1.5
81.03443	4.5
83.01381	1.0
83.04993	1.0
85.02959	4.8
91.50535	0.8
93.03442	0.9
95.01365	2.4
95.04996	2.2
101.02454	1.2
108.02177	54.3
109.02962	45.5
109.06499	0.9
110.03300	1.6
113.02428	2.2
121.02938	1.3
123.00881	2.2
123.04539	2.0
135.04523	1.5
135.08145	1.8
141.05490	1.0
151.04018	1.9
152.01155	59.8
153.01942	24.1
158.61780	0.8
161.02509	1.1
163.03935	2.1
165.01872	1.1
177.09198	3.6
179.07262	1.0
195.10233	3.2
229.01361	1.3
239.09161	1.1
297.06256	0.7
315.07208	9.6
316.07501	1.2
328.01053	0.8
339.04721	1.0
357.08289	2.5
423.65057	0.9
493.17120	5.4
519.14990	9.6
520.15192	1.2
537.16125	100.0
538.16388	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	537.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91069	0.7
52.34795	0.7
52.57928	0.8
59.01380	1.1
69.50974	5.2
72.99287	3.5
108.02146	1.0
109.02964	20.3
119.05016	1.1
121.02943	2.6
123.04498	2.8
129.03516	1.3
133.02989	1.2
134.03708	1.1
135.04529	8.5
137.02489	1.1
145.02953	9.6
146.03719	1.7
147.04518	14.0
157.02934	7.1
158.03682	1.3
159.04512	11.2
159.15132	0.9
161.02448	3.3
173.02422	2.6
175.04027	3.1
179.03445	3.0
185.02422	4.1
193.06628	1.1
197.04504	3.3
197.06056	0.9
201.01892	1.4
203.03514	3.0
211.07709	1.6
221.06029	3.3
222.06874	1.5
223.07645	1.0
224.04880	1.2
225.05527	1.1
229.01422	38.4
230.01877	2.0
238.06342	1.6
239.07095	2.9
248.04716	1.7
249.05582	6.7
250.06233	3.2
253.04898	1.1
265.05130	2.3
266.05853	2.9
267.06616	20.4
268.06888	1.0
269.08182	9.4
277.05051	11.3
278.05768	2.6
293.04483	5.9
294.05240	3.2
295.06094	19.9
296.06375	1.9
313.07220	3.0
330.55164	0.8
339.05087	100.0
340.05435	8.9
357.06018	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	537.104
Annotation	Salvianolic acid H
Peak:m/z	Relative Intensity
59.01378	13.9
61.98828	3.7
65.03959	2.3
71.01366	2.9
71.64185	1.2
71.66327	1.3
72.45409	1.2
72.99311	30.2
73.02932	2.4
74.02475	1.3
81.03466	1.5
83.59186	1.1
85.02960	1.5
89.02448	1.2
93.03489	1.4
99.00820	1.5
101.02441	3.8
105.03452	1.2
107.05024	1.7
108.02179	3.3
109.02954	25.1
113.02477	2.1
117.03475	2.1
119.04998	2.3
121.02944	3.8
123.04529	13.6
131.96809	1.1
132.02069	1.6
133.02959	29.7
134.03685	2.8
135.00906	6.5
135.04526	46.8
136.04831	2.3
137.02425	3.0
145.02948	7.8
147.04520	3.2
149.02475	1.5
151.04013	12.8
152.01131	2.5
152.07217	1.1
153.01936	54.4
159.04495	2.1
161.02444	100.0
162.02727	7.0
163.04012	3.2
164.79939	1.1
175.04021	2.4
178.02602	1.8
179.03493	22.9
197.04562	26.0
227.07132	1.6
229.01381	4.6
239.07040	2.0
239.09158	1.3
241.04939	2.2
250.06267	1.4
267.06543	3.1
269.08078	2.2
284.03113	1.6
295.05902	3.3
311.05688	1.9
313.07239	1.7
331.08200	39.0
332.08469	2.9
339.05020	17.3
357.06137	3.2
359.07663	7.9
477.30554	2.8
493.11633	9.4
505.17578	1.6
536.33032	2.9
537.23700	2.0
537.32635	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	537.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.9
61.98828	3.7
65.03959	2.3
71.01366	2.9
71.64185	1.2
71.66327	1.3
72.45409	1.2
72.99311	30.2
73.02932	2.4
74.02475	1.3
81.03466	1.5
83.59186	1.1
85.02960	1.5
89.02448	1.2
93.03489	1.4
99.00820	1.5
101.02441	3.8
105.03452	1.2
107.05024	1.7
108.02179	3.3
109.02954	25.1
113.02477	2.1
117.03475	2.1
119.04998	2.3
121.02944	3.8
123.04529	13.6
131.96809	1.1
132.02069	1.6
133.02959	29.7
134.03685	2.8
135.00906	6.5
135.04526	46.8
136.04831	2.3
137.02425	3.0
145.02948	7.8
147.04520	3.2
149.02475	1.5
151.04013	12.8
152.01131	2.5
152.07217	1.1
153.01936	54.4
159.04495	2.1
161.02444	100.0
162.02727	7.0
163.04012	3.2
164.79939	1.1
175.04021	2.4
178.02602	1.8
179.03493	22.9
197.04562	26.0
227.07132	1.6
229.01381	4.6
239.07040	2.0
239.09158	1.3
241.04939	2.2
250.06267	1.4
267.06543	3.1
269.08078	2.2
284.03113	1.6
295.05902	3.3
311.05688	1.9
313.07239	1.7
331.08200	39.0
332.08469	2.9
339.05020	17.3
357.06137	3.2
359.07663	7.9
477.30554	2.8
493.11633	9.4
505.17578	1.6
536.33032	2.9
537.23700	2.0
537.32635	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	537.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	0.8
59.01379	9.9
61.98832	9.6
63.96220	1.8
70.77908	0.8
70.78230	0.9
71.01390	2.0
72.99312	8.1
73.02933	1.5
75.00874	0.6
78.91864	1.0
80.91694	1.0
85.02977	1.1
88.16080	0.6
89.02453	1.1
93.03446	1.1
95.05013	0.8
101.02428	2.1
107.04998	0.7
108.02167	2.5
109.02957	25.9
111.00890	0.8
113.02526	0.6
115.12278	0.6
117.03466	1.7
117.97305	0.6
119.05032	1.4
121.02969	4.8
121.06498	0.5
122.29185	0.6
123.04523	4.8
129.03473	2.1
131.05066	0.9
132.02225	0.7
133.02968	5.4
134.03705	2.1
135.00836	0.9
135.03493	1.1
135.04521	19.7
135.98349	2.0
136.04843	1.0
137.02444	2.2
145.02962	10.2
146.03786	2.7
147.04527	19.2
149.02460	1.1
151.03914	0.7
153.01938	9.8
157.02948	7.4
158.03717	1.9
159.04515	14.7
160.04968	0.7
161.02441	14.0
161.04539	0.6
161.05966	0.7
162.02817	1.0
163.04005	2.0
165.01851	0.7
166.02264	0.7
173.02454	3.6
174.03247	1.6
175.04022	4.7
177.01909	2.2
179.03473	5.9
185.02417	5.0
186.03253	1.1
187.03931	0.9
193.06602	1.9
196.05247	0.9
197.04530	6.1
197.06104	1.3
199.07495	1.0
201.01950	1.8
203.03555	3.5
205.06610	0.7
209.05998	0.9
211.07629	1.9
213.02039	0.6
221.06090	3.9
222.06735	0.8
223.07652	0.7
224.04832	0.9
225.05635	1.6
229.01407	36.4
230.01883	2.6
232.05225	1.1
233.05978	0.7
237.05554	1.2
238.06258	1.3
239.03612	0.9
239.07178	3.9
239.09279	1.1
240.04361	0.8
241.04967	0.6
248.04807	2.0
249.05553	7.0
250.06239	4.6
251.07079	1.7
253.05057	1.6
254.05806	0.7
255.06598	0.6
265.05081	2.3
266.05725	3.3
267.06628	21.5
268.07059	1.9
269.05246	0.9
269.08197	13.3
270.08499	1.0
276.04175	1.1
277.05020	12.5
278.05814	2.9
280.03906	0.8
285.04010	1.1
293.04578	6.0
294.05295	4.1
295.06116	20.1
296.06442	1.8
311.05582	0.6
313.07132	4.2
321.04080	0.8
339.05093	100.0
340.05426	8.4
357.06100	3.1
404.71365	0.7
477.30557	1.7
477.37018	0.6
495.31702	0.6
536.33990	3.1
537.24622	1.3
537.33875	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	536.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01720	16.6
61.01804	18.0
61.98834	32.4
62.02149	1.4
69.88794	2.8
69.89191	1.1
85.08941	0.7
121.01968	0.7
123.32919	0.9
133.02969	1.6
135.04550	1.2
146.59581	0.7
161.02489	2.4
179.03583	0.7
198.51460	0.7
247.81898	0.7
251.86371	0.8
335.24597	0.7
358.19769	0.9
475.33594	0.9
476.34198	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	536.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.0
60.01724	3.2
61.01775	2.1
61.98835	100.0
62.59815	1.7
71.12888	2.4
71.13217	2.5
77.22960	1.8
106.87740	2.1
120.11782	2.2
133.02966	18.3
135.04428	2.4
150.03233	2.7
161.02449	51.6
187.71454	2.0
375.18192	4.1
476.33563	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	536.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	49.0
61.98832	100.0
71.94076	2.7
78.95906	3.5
98.20667	4.9
136.74776	2.5
281.41385	2.7
421.70679	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	536.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06366	0.9
56.46097	0.9
57.03433	1.6
59.01379	19.6
60.95898	1.0
61.42776	1.0
61.50946	1.0
61.98827	5.3
64.17551	1.0
71.01374	4.6
71.14284	2.4
72.99310	3.6
73.02960	1.5
80.05063	9.7
82.13084	1.0
83.94745	0.8
85.02963	3.2
89.02451	1.6
93.03464	1.7
94.06612	2.4
95.04978	0.9
96.96031	0.9
99.00895	1.0
101.02449	2.7
104.05061	3.5
106.06653	5.1
107.03778	4.4
107.05022	1.8
108.04566	3.4
109.02989	1.2
113.02437	3.6
117.03455	1.8
118.06603	1.1
118.69051	0.9
121.02988	1.1
122.06116	25.2
123.04522	18.6
124.04855	7.1
130.06630	1.7
133.02916	6.3
134.06123	11.2
135.04524	17.3
136.07658	4.5
139.02672	1.0
145.02983	5.2
146.06088	3.4
147.03300	1.7
148.04042	4.0
150.05559	1.1
152.07167	61.4
153.07568	1.8
158.06189	1.1
160.04051	2.7
161.02448	21.0
161.04518	2.2
161.09648	2.2
162.02785	1.8
162.10042	2.0
173.04875	1.8
174.05589	2.9
175.03888	1.4
179.03500	3.8
180.03889	1.3
180.06630	9.6
186.05611	2.1
186.09340	1.0
187.11288	1.7
188.07153	23.3
188.11649	1.9
189.09232	1.3
197.04541	3.4
199.07739	1.3
211.08691	5.2
218.60809	1.0
224.09506	2.1
225.10320	8.6
226.11096	2.7
227.11923	6.3
235.08754	1.3
237.10269	2.3
238.07442	4.1
239.08211	1.1
239.11928	2.6
245.12888	4.8
248.09518	1.3
249.10588	1.8
250.07530	1.3
251.08270	3.3
251.11887	3.5
252.08952	3.0
253.09799	15.1
254.10480	1.5
264.08984	1.5
265.09799	3.7
266.10458	2.2
267.11337	7.8
277.09818	3.4
278.10193	1.2
279.07742	4.4
279.11386	3.6
280.08438	1.3
281.09360	1.4
292.08551	2.0
293.09384	3.9
294.10239	5.1
295.10864	39.7
295.14230	2.3
296.11313	2.9
307.10870	17.9
313.12128	1.4
321.08670	2.5
323.10388	3.0
339.05341	1.9
339.09830	2.0
400.15997	1.1
412.16855	1.7
418.17789	1.3
432.19254	2.7
460.18790	99.0
461.19193	11.2
476.18332	2.0
486.17081	1.4
504.17776	100.0
505.18173	11.1
536.20911	24.1
536.30957	1.7
537.21674	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	535.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20140	1.6
59.01378	100.0
61.98825	3.9
65.56767	1.5
71.63493	2.0
78.95897	3.1
85.11836	1.8
98.87812	1.6
138.56029	1.8
147.64943	1.9
149.43521	1.5
165.70351	1.6
212.68442	1.6
239.84123	1.7
289.52869	1.8
305.02579	1.8
330.95178	2.7
438.42471	1.9
474.47214	1.9
489.35898	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	535.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34870	1.2
59.01383	100.0
60.01718	1.4
61.98829	2.6
62.24827	1.0
63.73633	1.0
71.11431	2.5
78.95891	2.2
97.06569	2.7
100.66692	1.1
107.54495	1.1
161.02531	1.2
162.64853	1.2
194.83846	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	535.4
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98825	13.4
66.12027	1.6
66.72597	1.5
76.48387	1.6
78.95919	1.8
84.61671	1.6
97.06580	3.7
127.72506	1.6
164.51968	1.9
177.08200	1.6
280.46609	1.7
319.91397	2.0
372.34286	2.4
514.40875	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	535.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98777	1.2
59.01380	100.0
71.29420	2.0
78.95923	2.0
90.48724	1.2
97.62833	1.4
100.20634	1.5
109.60783	1.2
119.44962	1.3
152.99614	1.6
161.02515	1.6
179.03564	1.3
206.90945	1.4
213.75484	1.4
294.07019	1.4
459.57190	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	536.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53240	0.6
59.01381	18.9
60.20874	0.5
61.98829	12.4
63.01632	0.5
63.79097	0.5
69.45428	4.6
71.01378	0.8
72.99308	2.4
73.02938	0.7
102.22186	0.5
109.02936	1.6
113.02470	0.6
117.03463	1.7
119.05027	2.2
122.06128	0.7
123.00878	2.6
123.04517	1.8
133.02965	6.9
134.03720	1.2
135.04541	9.9
136.04869	0.6
145.02957	8.0
151.04066	0.9
161.02444	23.5
162.02818	1.8
163.04018	3.3
163.65993	0.6
170.53271	0.6
179.03488	2.2
183.04538	0.8
187.03951	0.7
187.07664	0.7
195.04459	0.7
197.04550	2.2
197.11920	0.6
209.06094	1.3
211.03874	0.6
213.05457	0.8
223.03787	0.7
224.04784	1.7
226.02690	1.5
227.03593	1.2
235.04019	1.3
236.04787	0.7
237.05556	0.7
240.04265	1.2
241.05016	1.2
251.03493	5.6
252.04268	8.3
253.01459	8.1
253.04933	2.0
254.01869	0.9
263.03433	1.4
264.04282	2.3
267.06702	0.8
268.03705	2.7
279.02985	45.6
280.03748	50.5
281.04523	28.7
282.04858	1.8
283.05963	0.8
293.09863	0.9
296.03250	2.1
311.05612	100.0
312.05927	8.2
315.12625	0.5
395.71790	0.6
406.24246	0.7
455.13666	0.8
460.19092	0.8
473.08493	0.6
537.23883	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	535.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62278	0.2
61.98833	100.0
67.13942	0.2
69.64102	0.7
69.64532	0.9
76.98177	0.2
82.19064	0.2
86.03460	0.3
93.66373	0.2
112.72871	0.2
153.08566	0.2
329.56058	0.3
505.43390	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	535.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78395	0.4
52.43206	0.4
59.01382	0.5
61.98833	100.0
73.04813	0.5
98.19843	1.8
148.56583	0.5
415.57477	0.5
429.71219	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	535.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.8
59.01382	6.6
59.01664	0.3
60.01772	0.4
60.99323	0.5
61.98829	2.5
69.70879	0.8
69.71299	1.7
70.80313	0.3
71.01382	1.7
72.99305	1.8
73.02998	1.4
81.03519	0.4
83.05048	0.5
85.02995	1.3
87.04521	4.8
87.94250	0.4
88.98797	0.4
89.02486	1.2
95.05070	0.9
98.19862	0.7
101.02488	1.2
102.66087	0.4
109.02993	1.1
109.06600	0.4
111.00938	1.5
113.02487	0.6
119.05107	0.5
121.03034	0.6
123.04591	1.1
123.71150	0.4
133.03024	1.6
135.04533	5.6
137.02507	0.5
143.08807	0.4
145.03026	0.9
147.04584	0.7
151.04129	0.5
153.01981	1.2
161.02444	4.0
161.04547	0.5
163.04015	0.4
177.01944	0.5
177.09274	1.0
179.03569	1.5
197.04630	1.3
213.46315	0.4
239.03699	0.4
251.03400	0.6
267.06607	2.0
293.04532	1.7
305.22952	0.4
311.05597	3.7
335.12674	0.4
337.03564	0.5
339.23392	0.4
343.52917	0.4
373.24973	0.7
383.57297	0.4
385.27530	0.9
389.24640	0.7
397.27579	0.5
401.25000	0.6
403.25687	0.7
405.26477	27.9
406.26849	3.4
407.25659	0.7
417.28638	0.4
419.26221	0.6
423.28934	0.5
437.30573	2.0
439.28754	0.6
441.30112	0.6
445.29587	4.6
446.30087	0.6
455.31689	1.9
461.32675	0.9
469.29626	2.5
473.32782	1.3
477.28418	0.6
487.30716	1.1
491.25308	0.5
491.33731	1.3
505.31723	50.1
506.32022	7.3
517.31622	1.5
535.32739	100.0
536.33160	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	535.328
Annotation	Integristerone A 20,22-acetonide
Peak:m/z	Relative Intensity
57.03448	0.8
59.01384	16.9
61.98831	8.6
70.88903	1.4
71.01383	4.4
72.99311	6.1
73.02946	2.0
74.92997	0.6
76.73250	0.5
78.91870	1.3
79.95778	0.5
85.02962	3.3
87.00830	0.8
87.04526	5.0
89.02453	1.9
93.03452	1.3
99.00857	0.7
99.92589	0.6
101.02439	3.2
106.06599	0.7
107.05015	0.8
108.02174	1.2
109.02935	3.2
113.02469	2.1
116.92900	1.6
117.03484	5.6
119.05020	3.6
121.02963	1.5
122.03705	0.6
123.04519	3.2
132.02220	1.4
133.02969	9.1
134.03726	1.7
135.04536	18.7
136.04852	1.1
137.02452	2.0
138.44296	0.6
145.01842	1.1
145.02956	16.5
146.03438	0.7
147.00867	1.0
147.04491	1.5
149.02426	1.0
149.86618	0.7
150.72948	0.6
151.03992	1.7
152.07217	0.7
153.01930	0.6
159.04541	1.4
160.05296	1.2
161.02446	26.7
161.06042	0.8
162.02821	1.7
162.26776	0.6
163.04016	4.3
167.42108	0.6
173.90742	0.7
175.03967	1.4
175.07594	1.2
177.01936	2.6
179.03497	8.4
180.03882	0.9
180.12181	0.6
187.04031	1.1
197.04541	2.7
198.06647	0.7
199.07840	0.9
203.03430	0.8
229.01450	1.2
239.09305	0.8
243.06531	1.1
253.05054	0.7
255.06670	1.0
265.05081	0.6
267.06689	1.8
268.07291	0.8
269.08020	1.1
281.04468	0.8
283.06073	1.0
293.04724	0.6
296.06741	0.7
309.04239	1.0
311.05673	1.5
311.09094	1.4
329.06882	1.0
337.03473	1.1
339.05222	1.0
355.04529	3.2
355.26358	0.8
373.05414	2.0
373.09378	5.5
374.09790	0.8
389.27112	0.7
401.25076	0.8
405.26477	28.9
406.26877	1.9
415.28619	0.7
417.29453	0.7
423.29129	0.9
431.27097	1.6
437.30768	2.8
439.28366	2.0
445.29764	3.5
455.31790	1.7
459.27737	0.7
460.18890	1.0
461.32748	1.3
469.29779	2.1
475.29037	1.0
477.28430	0.8
487.30573	1.4
491.34045	1.2
504.17798	1.0
505.31708	47.9
506.31982	7.2
517.31683	1.4
531.29102	0.7
535.09167	1.5
535.21320	3.4
535.21423	3.3
535.32770	100.0
536.20630	1.5
536.33063	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	535.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60054	1.2
54.65326	1.2
55.01899	1.4
57.03438	2.9
57.04953	1.4
58.00593	2.6
59.01383	100.0
60.01707	1.4
61.98833	16.8
61.99149	1.9
68.96828	1.3
69.03454	1.4
71.01385	33.8
71.05018	2.5
72.99304	8.0
73.02956	10.0
75.00871	2.9
80.28416	1.2
81.03452	2.0
83.01392	5.6
85.02962	11.6
85.77489	1.3
87.00880	4.0
89.02441	21.1
93.03466	2.0
94.43707	1.4
95.01404	3.3
95.05049	1.7
97.02976	1.8
101.02451	27.5
101.46365	1.2
108.02167	4.8
109.02961	17.4
111.00864	1.7
113.02454	17.3
113.59152	1.3
116.92862	2.6
117.97285	2.9
119.03524	9.2
119.04965	1.4
121.02955	2.3
123.00905	1.6
123.04527	3.0
124.01658	1.4
125.02440	4.1
133.02989	9.3
134.03743	3.0
135.04533	34.0
136.01714	3.1
136.04779	1.5
137.02350	1.8
141.01781	1.3
142.09193	1.4
143.03490	3.6
145.02939	2.7
146.03778	2.1
147.04539	9.9
147.05556	1.7
149.02438	1.7
149.04485	2.2
151.04002	5.6
152.01152	1.6
153.01939	26.9
159.03018	1.7
159.04446	3.5
160.01624	3.3
161.02457	21.9
161.04543	10.7
162.02876	2.0
163.03990	3.2
175.04018	5.5
177.01941	2.4
177.03583	1.4
179.03487	8.2
179.05568	4.6
187.03961	2.2
188.04840	2.4
189.01790	1.5
197.04550	4.8
203.03676	1.4
203.07237	3.3
211.13377	2.2
221.06538	1.7
229.01427	6.1
235.13347	1.9
237.05611	2.0
240.04414	1.6
241.05086	2.9
265.05084	3.1
266.05731	2.6
267.03613	1.3
267.06555	5.7
269.08154	6.2
285.07709	2.6
293.04547	5.6
294.05008	1.8
295.04605	1.5
309.03995	4.2
311.05563	8.8
313.07175	1.7
315.18024	2.2
325.10724	3.1
333.22232	2.0
337.03549	16.3
337.09351	3.7
338.04004	2.0
339.04904	1.5
355.04602	2.0
355.12125	2.4
357.06418	1.4
373.05722	2.3
373.18665	17.0
374.18936	1.8
389.26797	2.3
397.18442	3.5
401.26959	25.8
402.27246	2.4
415.23395	19.8
429.65997	1.4
433.24481	14.6
473.14932	2.2
475.25357	5.2
491.11771	2.1
491.25110	3.1
493.22974	6.0
530.82312	1.4
535.09534	2.9
535.18146	12.4
535.33075	13.8
536.19232	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	535.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01383	15.3
60.01704	0.2
61.98834	2.4
68.99815	0.5
71.01382	0.9
71.05019	0.2
71.62900	0.2
72.99302	0.6
73.02947	0.4
75.00863	0.1
75.35222	0.1
83.01382	0.2
85.02950	0.5
89.02431	0.1
89.03968	0.3
91.47387	0.1
93.03470	0.5
99.00893	0.1
99.71789	0.1
101.02420	0.8
107.05003	0.1
108.02189	0.2
109.01197	0.1
109.02927	0.2
113.02460	0.4
116.92875	0.2
117.03472	33.8
118.03796	1.0
119.05032	13.2
120.05378	0.5
121.02969	0.8
123.04530	1.4
124.01708	0.2
125.02467	0.2
133.02957	1.0
134.03783	0.2
135.04546	1.9
136.04892	0.2
137.02417	0.2
143.05031	3.3
143.10799	0.2
145.02960	100.0
146.03294	3.8
147.04530	0.2
151.04001	0.2
152.01169	0.2
152.07327	0.1
159.04485	0.1
161.02460	2.8
161.06071	0.2
162.03250	0.7
163.04016	18.4
164.04340	0.7
167.03465	0.4
175.04115	0.2
179.03488	0.9
184.77469	0.1
187.04002	5.1
188.04433	0.3
197.04604	0.6
204.37437	0.1
229.08560	0.1
230.57961	0.1
265.84891	0.1
271.06085	0.1
296.98941	0.1
337.09280	0.2
347.17139	0.1
353.18246	0.1
414.28464	0.1
415.17639	1.0
433.18707	0.3
475.19708	2.9
476.19809	0.4
476.31964	0.2
493.20880	0.8
494.20468	0.1
535.21912	20.8
535.30933	1.6
536.22321	2.4
536.30701	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	535.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
59.01381	8.5
61.98822	0.4
69.03456	0.3
71.01383	5.2
71.65653	0.2
72.99301	0.6
73.02946	2.8
78.95882	0.2
83.01385	1.2
85.02942	0.7
87.00867	0.2
89.02444	0.5
89.03975	0.2
93.03450	1.0
95.01405	0.2
97.02963	0.3
99.00870	0.4
101.02448	2.5
113.02457	1.0
115.04005	1.6
117.03467	27.4
118.03825	1.0
119.05025	32.8
120.05362	1.0
121.02967	0.3
122.06117	0.1
123.04544	0.3
125.02457	0.3
132.05809	0.3
133.02963	0.5
133.06580	0.8
134.03732	0.3
135.04529	2.7
137.02379	0.1
143.03540	0.3
143.05011	0.3
145.02953	100.0
146.03285	3.6
147.04483	0.3
149.04674	0.1
149.06061	0.2
152.99631	0.2
155.03477	0.2
159.04482	0.5
161.02440	1.4
161.04602	0.4
161.06084	1.5
163.04005	33.4
164.04333	1.4
167.10768	6.4
168.11121	0.2
177.05585	1.2
179.03517	0.5
185.11812	2.2
187.04013	2.8
188.04358	0.2
197.04536	0.3
203.05649	0.2
205.05052	2.4
206.05363	0.2
217.05162	0.2
223.13475	0.1
235.06181	0.2
241.53944	0.1
242.08247	0.1
258.70807	0.1
260.17874	0.1
270.84818	0.1
307.08279	0.3
329.16113	0.6
347.17004	0.4
349.09192	0.3
367.10406	0.9
371.17093	2.8
372.17578	0.3
389.18146	4.8
390.18533	0.4
429.17371	0.1
473.31403	0.2
475.19785	0.2
491.28574	0.2
493.20877	0.3
534.31512	0.3
535.21820	25.3
536.14099	0.2
536.22186	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	535.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84974	0.6
53.94934	0.7
55.01849	0.8
57.03447	2.2
59.01376	39.3
60.81446	0.7
61.98824	2.9
69.03465	0.9
69.57858	4.8
71.01386	5.9
71.04995	1.2
72.99305	8.8
73.02953	4.9
75.00858	0.9
83.01382	3.4
83.05019	2.3
85.02937	3.2
87.00863	5.1
89.02426	1.5
93.03452	2.0
95.05025	4.4
97.06610	2.4
98.19856	1.1
101.02442	5.5
105.03507	0.8
107.05027	6.1
109.02957	1.7
113.02438	2.8
114.63767	0.8
117.03466	28.8
119.05032	11.5
119.25906	0.7
120.05822	1.5
121.02965	1.3
123.04520	100.0
124.04867	2.7
128.34438	0.7
132.02197	0.9
133.02960	6.0
134.03758	1.5
135.04521	18.0
137.02466	1.2
141.05524	1.4
145.02950	86.2
146.03293	3.5
147.04535	1.2
149.02463	1.5
149.04683	0.8
149.05997	0.8
152.04762	1.5
159.11705	1.0
160.01653	2.1
161.02435	17.6
161.04539	2.6
161.09709	12.0
161.13307	5.9
163.04012	12.6
163.11249	1.0
167.27911	0.7
175.03981	2.0
179.03490	8.1
187.03995	1.2
187.11275	13.9
188.11636	0.8
189.09195	9.3
190.09372	0.8
197.04514	10.2
199.85616	0.9
203.10840	1.7
205.12331	10.1
207.10240	3.2
223.13388	1.5
231.10240	1.9
249.11288	4.9
252.82043	0.8
267.12323	3.6
291.12512	1.2
323.07947	1.7
337.09116	1.0
359.09918	1.4
411.16547	2.4
447.27191	1.3
474.30377	1.0
475.19781	3.8
475.30496	2.3
493.31442	0.8
517.20386	1.4
535.15118	3.4
535.21826	72.7
535.30853	8.5
536.15082	1.1
536.22308	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	535.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92054	0.6
58.00581	0.6
59.01381	23.4
59.71958	0.6
60.51319	0.6
66.21146	0.6
68.32230	0.6
69.03457	1.9
69.67944	4.0
71.01382	9.2
72.99316	1.4
73.02941	1.5
75.00864	0.6
78.59437	0.6
81.03454	8.2
83.01386	0.8
83.05033	10.6
83.23717	0.5
85.02940	2.6
89.02442	11.9
93.03449	2.7
95.01384	0.8
95.05025	19.2
96.05353	0.9
97.02954	1.0
98.20581	1.2
99.04513	0.8
100.75899	0.5
101.02446	4.7
107.05035	1.5
108.02187	1.1
109.02952	24.9
109.06587	9.2
113.02456	3.5
119.03500	4.5
119.05019	1.2
121.02935	1.6
121.06600	0.7
122.57244	0.7
123.04527	5.3
125.02432	0.8
127.03982	1.2
131.04985	0.8
133.02948	3.0
133.06586	1.1
134.03716	0.8
135.04552	3.8
135.08180	7.3
137.02437	0.6
140.24818	0.7
141.05554	1.8
145.02902	1.1
147.04509	2.6
151.04060	0.7
151.06152	4.3
159.04536	6.4
159.08157	3.9
161.02473	3.0
161.04619	0.9
161.06046	2.0
174.03192	0.8
175.03964	2.1
175.07616	3.4
177.01915	2.9
177.09206	41.3
178.09534	2.2
179.03488	1.9
179.05629	2.1
179.07124	1.9
182.50911	0.6
195.10320	3.1
197.04617	0.7
203.03528	5.5
203.07104	0.9
204.03928	0.7
221.08150	6.9
223.07661	0.7
226.06345	0.8
237.05525	1.2
239.09222	5.3
247.02441	0.9
251.07019	0.7
254.05803	0.9
267.06546	1.4
269.08212	9.4
270.08679	0.9
283.06180	1.7
311.05576	3.6
313.07166	6.7
313.11383	6.9
314.07651	1.1
357.06174	12.8
358.06635	1.2
535.20306	100.0
536.20618	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	535.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.2
59.01382	8.6
69.03449	0.3
69.85091	0.5
69.85503	0.4
71.01385	4.2
72.14608	0.2
72.99323	0.5
73.02948	3.0
83.01380	1.1
85.02956	0.6
87.00881	0.4
89.02473	0.5
89.03980	0.3
93.03445	0.7
97.02949	0.4
98.19864	0.2
99.00885	0.3
101.02450	2.2
103.14066	0.2
113.02448	1.1
115.04005	1.1
117.03472	25.4
118.03817	0.8
119.05030	29.9
119.75687	0.2
120.05379	0.9
121.02939	0.2
123.04540	0.5
125.02474	0.7
131.03519	0.2
133.02974	0.3
133.06619	0.6
135.04530	2.9
136.04828	0.2
143.05057	0.4
145.02966	100.0
146.03299	3.6
147.04507	0.2
149.06079	0.2
155.03487	0.3
159.04483	0.3
161.02470	1.5
161.04678	0.3
161.06084	1.4
163.04019	32.5
164.04329	1.3
167.10777	6.7
167.23000	0.2
168.11143	0.3
175.03972	0.1
177.05573	1.5
179.03551	0.6
185.11839	2.2
187.04027	2.5
187.05565	0.3
197.04649	0.2
205.05080	2.4
217.04965	0.2
223.06142	0.3
255.54436	0.2
307.08289	0.5
308.08270	0.2
329.16080	0.4
347.17068	0.6
367.10574	0.8
371.17093	2.7
372.17523	0.3
389.18161	4.9
390.18219	0.3
475.20029	0.3
493.20541	0.6
535.21826	23.7
536.22137	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	535.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	37.4
61.98819	3.2
63.24783	1.7
71.01376	18.7
71.09824	1.6
72.99307	86.3
72.99722	4.3
73.02947	2.0
85.02945	7.2
87.00919	2.6
88.98769	1.8
89.02438	21.9
92.70129	1.7
93.03444	2.0
95.05010	2.0
101.02452	10.6
107.05034	9.4
108.02187	21.9
109.02956	35.5
113.02441	9.8
119.03487	7.9
119.04995	2.4
120.62698	1.6
123.00869	3.3
123.03721	2.1
123.04529	32.7
131.03465	1.6
133.02959	3.0
134.03728	6.7
135.04523	63.2
135.08136	1.7
136.01640	4.7
136.04935	2.0
141.01869	2.5
141.05580	2.1
147.04521	3.3
151.04039	9.4
152.01128	7.8
153.01933	92.8
154.02170	2.1
160.01624	7.6
161.02419	10.2
161.04507	3.0
165.01979	3.2
175.03954	8.0
177.09117	1.8
179.02028	3.1
179.03499	53.5
179.05667	3.4
193.05104	2.7
195.10236	4.0
197.04546	99.5
198.04869	3.9
239.09233	10.0
249.05562	2.4
264.07877	4.0
265.04895	2.6
267.06488	1.8
279.06711	2.5
280.07312	4.5
295.04614	9.7
295.09781	4.4
323.07770	1.9
337.03488	2.6
337.09192	6.0
355.11804	13.3
359.09821	100.0
360.10358	4.1
373.12820	3.1
381.12146	2.0
406.99707	2.1
480.11621	2.4
535.14398	50.6
535.32123	3.9
536.14838	5.8
536.34338	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	535.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93704	1.0
58.00592	4.2
59.01383	98.6
69.79188	0.9
71.01385	61.9
72.01736	1.0
72.99311	7.9
73.02942	2.0
83.01393	1.3
85.02946	10.7
87.00893	4.9
89.02449	100.0
90.02824	1.4
95.01395	3.7
98.19799	1.5
101.02448	28.7
108.02195	4.5
109.02959	7.4
113.02454	24.2
114.17820	0.9
119.03505	39.4
123.00916	1.4
123.04528	4.2
125.02483	1.3
131.03534	3.6
135.04538	4.5
136.01657	12.5
143.03481	6.6
145.02934	1.6
146.03749	2.4
147.04556	1.7
149.04559	3.9
151.04015	16.5
153.01926	8.2
159.04547	2.2
160.05315	5.9
161.02426	3.0
161.04570	7.8
161.05774	1.5
174.03209	1.3
175.07645	2.7
179.03758	2.0
179.05623	20.0
179.07130	2.4
181.05058	4.3
181.48404	1.0
187.04022	2.8
188.04803	6.0
189.05475	1.1
193.05067	2.0
197.04570	5.9
203.07126	2.6
209.06091	1.8
221.06042	1.9
229.73967	1.1
233.06084	1.6
233.08215	1.1
237.05621	9.7
248.04785	1.0
249.05615	10.5
250.06310	5.5
251.07060	2.3
252.07916	4.5
261.05545	3.3
262.06268	1.0
264.07898	12.0
265.05057	14.2
265.08670	4.2
266.05460	2.0
267.06714	2.0
269.08197	2.0
276.07935	2.0
277.05017	2.1
278.05783	1.5
279.06531	4.7
280.07382	20.4
281.07986	2.3
292.07462	2.7
294.08963	2.4
295.06418	2.0
295.09753	23.4
296.10199	2.6
307.06049	1.9
307.09683	4.7
309.07678	1.9
310.08551	2.8
313.10236	1.2
322.08487	1.2
325.10764	10.3
337.10785	1.4
343.11731	3.5
355.11856	59.8
356.12198	5.9
359.09769	3.8
373.12943	4.9
425.37674	0.9
535.15570	1.4
535.24298	1.4
535.32159	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	534.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01714	13.5
61.01804	12.7
61.98830	26.5
62.29253	0.5
69.42341	4.2
71.01403	0.8
72.99303	3.1
74.32285	0.5
78.95895	0.6
88.28253	0.5
98.19874	0.9
98.52621	0.6
101.02496	0.7
102.86537	0.7
105.03493	0.9
115.01949	0.6
117.03468	1.1
119.17657	0.6
121.14108	0.5
132.02205	2.2
133.02956	38.7
134.03729	1.9
134.06145	0.9
135.04533	9.9
137.02431	1.4
145.02985	1.5
149.02496	1.0
152.07188	1.0
152.99631	0.9
161.02443	92.9
162.02803	0.9
179.03505	9.2
267.06766	0.9
331.19214	0.7
332.11588	0.6
334.74942	0.7
388.16937	0.6
400.25952	0.6
432.22223	0.6
474.32065	1.2
475.19708	2.0
493.21024	1.9
522.60095	0.7
534.22614	1.3
534.31982	2.5
535.21820	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.7
61.98832	100.0
64.24177	1.6
70.86456	2.6
70.86833	2.4
78.95911	1.8
87.11382	1.1
117.73236	1.2
133.02991	1.5
135.04500	3.0
161.02434	3.1
179.03485	3.4
376.98660	1.4
472.34872	1.9
501.98242	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	535.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
58.00602	1.1
59.01381	30.4
61.26533	0.9
63.15707	1.0
63.81544	1.0
68.96082	0.9
69.03442	3.0
69.45929	7.6
71.01385	12.1
72.99306	1.6
73.02937	3.5
73.73901	1.1
78.66257	1.0
81.03451	9.2
83.01359	1.3
83.05027	8.4
85.02960	2.4
87.00910	1.6
89.02445	13.0
93.03438	2.6
95.05033	17.8
97.02943	0.9
99.04529	1.0
101.02461	6.4
108.02176	1.5
109.02956	54.3
109.06568	9.2
113.02444	4.2
119.03493	5.2
119.05020	2.7
121.02959	1.5
123.04559	6.4
130.04222	1.3
131.04988	2.0
133.02957	5.2
133.05109	1.3
133.06558	1.4
135.04504	8.0
135.08142	8.0
137.02431	1.8
141.05551	1.5
145.02950	2.8
146.03775	1.3
147.04504	6.0
149.02382	1.0
151.06081	6.0
158.03622	1.1
159.04523	17.1
159.08151	4.3
160.04921	1.5
161.02428	8.1
173.02371	2.3
174.03091	1.8
175.04039	5.5
175.07607	3.5
177.01949	9.3
177.09207	37.4
178.09665	1.1
179.03488	3.5
179.05637	2.4
179.07021	2.1
191.03560	1.1
195.10258	6.0
203.03479	13.1
203.07138	1.0
221.08188	6.3
221.09988	1.0
237.05508	2.0
239.09196	5.7
253.05144	1.4
254.05847	4.1
255.06616	2.3
267.06668	2.6
269.08191	18.2
283.06107	4.0
285.15256	1.9
295.05887	1.1
311.05618	8.4
313.07172	12.1
313.11359	6.3
357.06128	27.9
358.06613	2.3
517.19299	1.1
535.20355	100.0
536.20673	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	534.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36734	3.0
59.01376	64.2
60.01713	10.9
61.01791	9.2
61.98830	100.0
170.08549	2.6
209.04559	2.7
243.90332	2.6
250.92123	3.3
294.17703	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	534.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	70.6
60.01713	8.4
61.01811	5.4
61.98830	100.0
71.01366	1.9
71.62792	0.9
72.99313	2.0
73.02934	0.7
78.95912	3.7
84.88532	0.6
85.02927	0.8
88.01544	0.8
89.02481	0.8
96.96942	0.7
109.02926	1.1
115.73643	0.7
117.03410	1.0
119.05042	1.5
133.02937	6.2
133.06534	0.7
134.06091	1.1
135.04530	6.5
137.02412	0.8
145.02989	4.9
147.04532	2.9
149.02470	1.3
152.99580	8.5
161.02438	14.3
161.06076	3.7
162.02779	0.9
163.04063	1.3
179.03477	4.0
181.12375	2.1
189.05626	1.2
197.04529	1.0
225.11330	11.3
242.08499	0.7
279.11359	0.7
280.19888	0.9
391.93039	0.7
395.49918	0.8
395.55548	0.7
400.15811	1.0
447.21466	1.7
472.31784	1.6
473.32111	1.3
474.32108	6.3
494.23849	0.9
502.19162	1.0
534.22363	3.2
534.31287	1.1
535.21735	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	534.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80577	0.7
51.89875	0.7
54.26844	0.7
57.03448	0.7
59.01381	64.6
60.01715	0.9
61.98832	100.0
64.36288	0.7
69.51224	5.8
71.01385	17.3
71.01765	1.4
72.99313	1.6
73.02953	12.4
83.01387	3.6
85.02949	4.0
87.00864	0.9
89.02437	8.8
95.01424	1.0
96.96066	1.1
99.00905	0.8
101.02447	12.1
109.02986	1.5
113.02459	8.3
116.92859	1.6
119.03527	3.6
123.04552	0.9
125.02470	0.8
131.03525	1.8
133.02979	1.0
135.04527	13.8
136.58684	0.8
138.06891	1.8
138.68097	0.6
139.07677	0.9
143.03534	1.7
149.04547	3.4
151.03996	0.9
152.08482	2.5
153.09215	9.6
161.02444	3.4
161.04539	7.3
165.09149	0.9
171.74673	0.7
175.03986	1.3
179.03522	2.4
179.05580	1.7
181.05122	1.5
186.06172	0.7
197.04564	1.6
203.05669	1.8
205.12360	2.5
210.91522	0.8
221.06638	1.4
223.13483	3.2
239.63937	0.7
277.44077	0.7
285.04135	0.9
293.81570	0.9
306.07904	0.7
336.05225	1.5
343.11816	0.9
359.07846	1.2
367.17520	3.8
373.13187	1.2
385.18805	1.1
427.19699	7.6
428.20306	0.9
475.21582	5.3
493.23166	2.1
535.10535	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	534.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80577	0.7
51.89875	0.7
54.26844	0.7
57.03448	0.7
59.01381	64.6
60.01715	0.9
61.98832	100.0
64.36288	0.7
69.51224	5.8
71.01385	17.3
71.01765	1.4
72.99313	1.6
73.02953	12.4
83.01387	3.6
85.02949	4.0
87.00864	0.9
89.02437	8.8
95.01424	1.0
96.96066	1.1
99.00905	0.8
101.02447	12.1
109.02986	1.5
113.02459	8.3
116.92859	1.6
119.03527	3.6
123.04552	0.9
125.02470	0.8
131.03525	1.8
133.02979	1.0
135.04527	13.8
136.58684	0.8
138.06891	1.8
138.68097	0.6
139.07677	0.9
143.03534	1.7
149.04547	3.4
151.03996	0.9
152.08482	2.5
153.09215	9.6
161.02444	3.4
161.04539	7.3
165.09149	0.9
171.74673	0.7
175.03986	1.3
179.03522	2.4
179.05580	1.7
181.05122	1.5
186.06172	0.7
197.04564	1.6
203.05669	1.8
205.12360	2.5
210.91522	0.8
221.06638	1.4
223.13483	3.2
239.63937	0.7
277.44077	0.7
285.04135	0.9
293.81570	0.9
306.07904	0.7
336.05225	1.5
343.11816	0.9
359.07846	1.2
367.17520	3.8
373.13187	1.2
385.18805	1.1
427.19699	7.6
428.20306	0.9
475.21582	5.3
493.23166	2.1
535.10535	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	534.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54332	1.6
59.01377	100.0
60.01703	9.7
61.01801	5.5
61.98832	54.3
68.47562	1.6
71.66080	2.2
72.68552	1.6
73.68597	1.9
92.48763	1.9
114.38828	1.7
137.58727	1.9
152.99612	4.4
161.02425	5.2
241.22292	1.8
248.99422	1.8
263.88705	1.9
438.97333	1.8
461.26117	1.9
473.32895	2.3
474.33087	15.7
514.99646	2.4
523.41809	1.9
562.20300	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	534.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.9
59.01384	100.0
61.98833	92.6
69.43103	17.6
71.01385	22.0
72.99310	2.7
73.02950	6.5
85.02955	7.0
89.02449	13.6
101.02438	12.8
109.02911	3.6
113.02437	14.1
119.03488	2.7
133.02965	2.9
135.04503	8.4
136.05321	1.9
137.63774	2.3
138.06848	6.3
139.07599	2.3
145.46147	1.9
151.07642	7.1
152.08449	18.8
153.09213	34.0
158.15982	2.0
161.02432	3.0
161.04568	6.3
165.91919	1.9
179.03517	8.7
194.37500	2.1
205.12347	13.2
223.13397	8.6
267.06314	2.3
367.17612	48.1
368.17950	5.0
385.18729	5.6
427.19788	23.6
535.27277	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	533.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10181	0.2
50.67798	0.2
55.01882	0.6
57.03437	1.0
59.01381	100.0
60.01712	1.0
61.98833	1.1
64.31645	0.2
66.00925	0.2
66.69409	0.2
69.03487	0.3
71.01385	9.8
71.65922	0.3
72.99316	0.7
73.02948	2.3
73.12965	0.2
75.54629	0.2
77.79579	0.2
79.64619	0.2
83.01384	1.7
85.02951	5.4
85.03424	0.3
85.03756	0.2
87.00885	0.6
89.02452	1.5
95.01411	0.9
97.02971	0.4
98.58575	0.2
99.00857	1.2
99.94866	0.2
101.02438	5.1
101.03062	0.3
103.45016	0.2
111.00927	0.3
113.02461	4.8
113.03239	0.3
117.03468	0.4
119.03567	0.2
124.01725	0.2
125.02499	0.5
129.02013	0.3
130.79576	0.2
132.02144	0.2
133.02974	0.5
134.03711	0.3
135.04556	0.4
143.03517	1.0
145.02979	1.0
159.03055	0.5
160.01700	0.5
161.02489	1.1
161.04559	2.6
175.04062	0.4
179.03552	0.6
257.08334	0.3
267.23343	0.4
283.26590	0.7
329.30753	1.2
396.82932	0.2
421.70886	0.2
473.34830	15.4
474.35135	1.9
491.35904	15.9
492.36124	1.7
533.23657	0.3
533.36859	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	533.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01711	0.9
61.98833	3.5
70.03728	1.2
70.04141	0.8
71.05039	0.5
72.99310	1.0
76.32758	0.3
77.66456	0.4
78.95901	0.4
85.03014	0.4
93.85373	0.3
98.20625	0.4
101.02484	0.8
119.05075	0.5
132.02151	0.4
133.02991	1.2
135.04536	1.8
137.81143	0.3
145.03020	1.5
149.02541	0.3
152.99638	0.9
156.43323	0.4
161.02463	3.0
162.02840	0.4
179.03473	0.5
241.51277	0.4
350.00098	0.4
369.24530	1.7
371.26151	0.5
373.24319	0.6
387.16830	0.5
403.24860	3.2
455.31613	4.5
456.32019	0.6
473.32935	0.6
489.31802	0.5
533.22632	0.8
533.31830	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	533.3481
Annotation	Agosterol F
Peak:m/z	Relative Intensity
59.01378	100.0
59.80307	0.3
60.01706	1.1
61.98830	0.9
62.39194	0.3
70.19780	0.8
71.01398	0.4
72.99303	0.7
78.95942	0.6
89.92979	0.3
98.20435	0.5
98.54153	0.3
122.97588	0.4
135.04558	0.6
145.02979	0.9
152.99611	0.9
155.30229	0.3
161.02419	0.8
179.03517	0.6
190.59796	0.4
286.72107	0.3
455.31836	0.7
473.32858	1.2
533.21649	1.2
533.34100	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	533.3484
Annotation	Agosterol F
Peak:m/z	Relative Intensity
50.35975	0.2
59.01381	100.0
60.01708	0.8
61.98836	0.3
71.34284	0.1
72.99327	0.3
109.19540	0.2
133.02985	0.6
135.04526	0.8
145.02953	0.3
161.02451	1.3
179.03537	0.4
194.39497	0.2
266.83002	0.2
443.31161	0.2
455.31940	0.7
473.33093	0.6
533.34821	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	533.3484
Annotation	Agosterol F
Peak:m/z	Relative Intensity
58.18985	0.3
58.41147	0.3
59.01382	100.0
60.01712	0.9
69.43266	3.1
104.31784	0.4
128.43121	0.3
257.96002	0.3
407.29483	0.7
436.63669	0.4
453.30075	0.8
473.32751	9.3
474.33334	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	533.3483
Annotation	Agosterol F
Peak:m/z	Relative Intensity
59.01382	100.0
60.01711	0.9
64.38695	0.5
69.40658	4.4
71.05018	1.1
83.04982	0.5
85.63171	0.5
88.48787	0.5
92.24014	0.5
101.27122	0.7
122.26311	0.5
275.51575	0.6
309.09323	0.5
374.30072	0.5
407.29666	2.3
416.40341	0.5
425.30908	0.7
453.29877	2.9
471.32230	0.7
473.32724	46.9
474.33112	7.2
510.67734	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	533.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71746	0.7
57.03440	1.7
59.01381	42.0
61.98813	1.5
69.03456	1.2
69.64748	0.6
70.20184	0.6
71.01383	6.3
71.05010	0.7
71.66223	1.2
73.02962	1.1
75.00842	1.0
85.02947	1.0
87.04493	1.1
89.02457	1.4
99.00875	0.8
99.04517	6.5
101.02438	2.7
101.06086	26.0
108.19638	0.6
110.30222	0.6
113.02453	1.1
113.06062	0.8
115.07652	42.3
116.07970	1.1
121.02974	1.6
127.07574	0.6
135.04514	2.4
143.07144	3.9
145.02983	1.8
161.02457	3.8
165.12819	3.7
189.12805	1.3
201.59604	0.6
203.09213	1.2
204.06625	1.0
207.13933	8.1
209.11830	22.2
210.12193	0.7
222.07654	1.0
225.14966	8.3
251.12891	4.6
269.13934	100.0
270.14355	6.0
363.45636	0.7
372.11093	1.1
453.29593	1.4
471.30283	1.0
485.27582	0.9
526.19019	0.7
532.29755	0.8
533.25580	21.8
533.30402	32.7
534.26276	3.4
534.31757	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	533.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.5
58.00598	1.7
59.01383	100.0
61.98836	17.0
62.24879	1.6
69.03477	1.9
71.01388	43.8
71.05021	4.2
72.99304	4.5
73.02952	12.5
75.00883	1.9
77.40110	1.5
79.79949	1.5
83.01387	5.8
83.05013	2.2
85.02949	11.8
87.00874	6.2
87.04520	5.0
87.41998	1.6
89.02453	23.0
95.01363	2.0
96.04874	1.6
98.19836	4.0
99.00896	3.6
101.02454	29.9
107.05022	5.4
109.02953	9.8
111.00891	1.8
113.02458	23.8
114.54625	1.6
115.92092	1.7
116.92886	3.0
119.03505	7.9
119.05065	2.4
120.05858	2.8
121.02956	2.0
121.05080	8.7
123.04533	3.1
131.65005	1.6
133.02959	2.2
135.04541	8.2
135.11746	1.6
145.02965	6.8
147.04596	2.0
149.02377	2.5
151.02817	1.6
159.02969	1.9
159.04486	3.6
161.02432	3.5
161.04578	6.3
161.09740	13.1
161.13338	5.3
163.11263	2.4
173.02567	1.8
179.05565	2.8
184.41525	1.6
187.11305	14.7
189.09196	10.4
205.12315	10.6
207.10242	5.9
221.06134	2.5
229.37457	2.0
237.05481	1.8
249.11343	9.6
250.05986	1.6
265.05029	5.1
266.05725	3.1
267.06613	12.7
268.07220	2.6
281.08356	2.1
283.10242	16.3
285.17084	11.2
309.04013	2.4
309.07437	2.4
311.05707	2.1
327.08713	5.0
353.06543	3.0
398.14743	1.6
403.23471	8.8
429.21042	3.1
489.23425	90.5
490.23740	9.3
533.22443	89.5
533.30872	7.0
534.22583	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	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72898	0.7
55.64553	0.6
57.03444	2.1
58.00582	0.7
58.45252	0.6
59.01384	33.0
61.98822	4.5
71.01384	18.5
71.66320	0.9
72.99319	2.5
73.02948	4.3
75.00870	0.9
77.78640	0.7
79.05496	0.7
81.03509	0.7
83.01400	2.1
83.05027	3.0
85.02955	6.3
87.00895	4.9
89.02442	14.9
93.03481	0.9
95.01398	0.7
95.05032	0.8
97.06596	3.2
99.00862	0.8
101.02448	13.7
105.07095	1.2
105.89359	0.8
107.05019	6.8
109.02941	0.9
113.02444	6.9
117.03457	0.9
119.03503	6.3
119.05038	1.6
120.05803	2.0
121.02925	0.7
121.05082	9.4
122.06161	1.6
123.04513	1.4
125.03579	1.0
128.22878	0.7
129.02000	0.8
133.02977	1.1
135.04512	9.6
138.05603	0.7
138.91197	0.7
141.05602	1.2
143.03479	0.9
145.02962	3.4
147.04524	1.3
149.04550	0.9
149.06024	0.8
150.03168	0.7
152.04791	1.3
152.07143	2.1
159.02995	0.8
159.11835	0.9
161.02432	2.8
161.04564	3.8
161.05789	0.7
161.09729	13.4
161.13319	6.4
162.09998	1.1
163.03983	1.2
163.11278	3.1
165.05573	0.8
179.03513	2.0
179.05611	2.3
179.10806	0.7
187.11278	16.5
188.11609	0.8
189.05571	0.7
189.09216	11.2
192.06648	1.5
195.06689	0.9
197.04543	2.0
203.10725	1.4
205.12320	11.3
207.10239	6.2
212.24336	0.7
223.13466	0.8
249.11279	10.2
265.04935	0.7
267.12314	3.1
276.82800	0.8
283.10355	15.3
310.07385	0.8
328.08298	2.6
341.78577	0.8
389.14700	1.0
450.35538	0.7
515.21368	2.3
533.22461	100.0
533.30786	6.3
534.22736	11.2
540.20697	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	533.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.6
59.01384	42.7
60.01699	0.4
61.98857	0.5
71.01384	7.6
72.99323	0.5
73.02956	0.7
83.01382	0.4
84.01904	0.3
85.02957	1.7
87.00881	0.6
89.02444	10.0
89.02988	0.6
90.02765	0.3
93.03465	0.4
95.01418	0.6
99.00910	0.4
101.02451	5.8
106.79424	0.3
113.02467	3.5
117.03471	23.0
118.03768	0.7
119.03577	3.3
119.05025	12.2
121.02994	0.4
125.73865	0.3
131.03545	0.3
132.05899	0.3
133.06578	1.8
142.53735	0.3
145.02956	80.4
145.10234	0.4
146.03291	3.2
161.02412	0.3
161.06059	4.3
163.04013	11.7
163.11298	4.6
177.05582	1.8
205.05074	3.6
207.10252	8.2
208.10519	0.5
235.06065	1.0
265.07101	1.7
369.15518	1.1
387.16592	100.0
388.16943	7.6
473.18054	1.2
533.20288	31.8
534.20605	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	533.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.5
58.00598	1.7
59.01383	100.0
61.98836	17.0
62.24879	1.6
69.03477	1.9
71.01388	43.8
71.05021	4.2
72.99304	4.5
73.02952	12.5
75.00883	1.9
77.40110	1.5
79.79949	1.5
83.01387	5.8
83.05013	2.2
85.02949	11.8
87.00874	6.2
87.04520	5.0
87.41998	1.6
89.02453	23.0
95.01363	2.0
96.04874	1.6
98.19836	4.0
99.00896	3.6
101.02454	29.9
107.05022	5.4
109.02953	9.8
111.00891	1.8
113.02458	23.8
114.54625	1.6
115.92092	1.7
116.92886	3.0
119.03505	7.9
119.05065	2.4
120.05858	2.8
121.02956	2.0
121.05080	8.7
123.04533	3.1
131.65005	1.6
133.02959	2.2
135.04541	8.2
135.11746	1.6
145.02965	6.8
147.04596	2.0
149.02377	2.5
151.02817	1.6
159.02969	1.9
159.04486	3.6
161.02432	3.5
161.04578	6.3
161.09740	13.1
161.13338	5.3
163.11263	2.4
173.02567	1.8
179.05565	2.8
184.41525	1.6
187.11305	14.7
189.09196	10.4
205.12315	10.6
207.10242	5.9
221.06134	2.5
229.37457	2.0
237.05481	1.8
249.11343	9.6
250.05986	1.6
265.05029	5.1
266.05725	3.1
267.06613	12.7
268.07220	2.6
281.08356	2.1
283.10242	16.3
285.17084	11.2
309.04013	2.4
309.07437	2.4
311.05707	2.1
327.08713	5.0
353.06543	3.0
398.14743	1.6
403.23471	8.8
429.21042	3.1
489.23425	90.5
490.23740	9.3
533.22443	89.5
533.30872	7.0
534.22583	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	533.203
Annotation	3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.37226	0.5
59.01382	30.3
61.98811	1.5
67.90794	0.6
71.01392	6.5
71.62897	0.7
72.99300	0.8
73.02950	2.8
80.91687	9.3
81.03465	3.3
83.01399	1.5
83.47909	0.7
85.02956	1.8
87.00891	1.2
87.04531	1.7
89.02442	2.6
93.03459	3.9
97.02933	1.6
97.06597	1.8
99.04504	2.6
101.02463	4.4
107.05061	0.7
109.02939	1.5
109.06594	15.7
110.06898	0.6
113.02448	3.0
117.03441	4.8
119.03584	1.4
119.05032	38.9
120.05386	0.8
123.04504	1.1
134.06084	1.0
135.04533	3.1
135.11784	0.8
137.02444	0.8
141.05588	0.9
146.03732	0.8
147.04517	0.8
153.05548	1.0
161.02425	1.0
161.04623	1.1
163.03952	1.0
173.06000	0.8
177.05519	2.2
179.05605	0.8
184.09364	0.7
192.06657	1.1
195.06590	1.8
197.06122	1.4
202.62523	0.6
213.09218	81.0
214.09515	3.3
229.12312	4.1
249.47731	0.6
265.04901	1.2
266.05862	0.8
267.06516	1.3
273.11356	1.9
285.17072	2.1
327.08661	1.5
329.13931	1.0
339.13220	1.5
353.06735	1.5
399.15643	2.5
464.08685	0.8
473.18161	1.4
533.20294	100.0
534.20618	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	533.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98833	51.5
69.79136	38.8
71.01376	66.5
72.99300	15.4
73.02956	16.3
74.42114	8.1
75.00871	16.1
83.01367	8.0
83.05004	9.0
85.02964	14.4
87.00889	10.3
89.02455	93.7
91.57519	6.7
97.02969	10.3
98.19828	6.9
98.48636	8.2
99.00885	21.6
101.02472	33.8
109.02996	8.8
113.02477	16.6
116.92855	20.8
121.02997	9.2
123.04550	8.7
125.02445	40.1
131.03513	17.0
134.03770	10.7
135.04526	26.4
145.02977	11.9
146.03770	43.9
149.04533	14.8
161.02425	21.4
161.06172	13.8
163.04054	17.3
164.04785	26.0
173.08156	13.3
177.09230	13.6
179.07137	54.8
229.33937	7.5
233.06644	32.6
239.09167	16.9
269.07901	8.8
293.08817	85.7
311.11356	11.9
327.08600	9.1
375.99591	8.3
504.78601	7.4
533.19025	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	533.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98833	51.5
69.79136	38.8
71.01376	66.5
72.99300	15.4
73.02956	16.3
74.42114	8.1
75.00871	16.1
83.01367	8.0
83.05004	9.0
85.02964	14.4
87.00889	10.3
89.02455	93.7
91.57519	6.7
97.02969	10.3
98.19828	6.9
98.48636	8.2
99.00885	21.6
101.02472	33.8
109.02996	8.8
113.02477	16.6
116.92855	20.8
121.02997	9.2
123.04550	8.7
125.02445	40.1
131.03513	17.0
134.03770	10.7
135.04526	26.4
145.02977	11.9
146.03770	43.9
149.04533	14.8
161.02425	21.4
161.06172	13.8
163.04054	17.3
164.04785	26.0
173.08156	13.3
177.09230	13.6
179.07137	54.8
229.33937	7.5
233.06644	32.6
239.09167	16.9
269.07901	8.8
293.08817	85.7
311.11356	11.9
327.08600	9.1
375.99591	8.3
504.78601	7.4
533.19025	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	533.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31493	0.4
58.00576	0.7
59.01384	49.1
60.01702	0.5
61.98828	0.4
71.01387	10.0
71.44817	0.6
71.45161	0.8
71.74467	0.4
72.99331	0.5
73.02949	1.1
83.01418	0.6
85.02957	2.3
87.00881	0.4
87.04528	0.5
89.02450	9.6
95.01439	0.6
101.02448	8.7
113.02441	3.7
117.03470	21.1
118.03809	0.6
119.03545	3.7
119.05023	11.2
120.05393	0.5
121.02970	0.4
133.06596	1.9
145.02956	82.3
146.03293	3.5
146.04269	0.6
161.06084	4.7
163.04012	9.8
163.11296	4.1
167.97472	0.4
177.05588	1.3
198.06001	0.5
205.05052	2.6
207.10283	9.3
225.11479	0.6
235.06157	1.0
253.72060	0.5
264.77533	0.4
265.07132	1.9
269.17624	1.2
285.18463	0.4
308.71393	0.5
369.15536	1.2
387.16602	100.0
388.16971	7.9
471.38235	0.5
473.18280	1.1
474.30627	1.4
533.20325	42.9
533.29413	2.8
534.20587	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	533.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45933	0.4
57.03441	0.5
59.01381	29.6
60.01717	0.7
60.52618	0.5
61.98829	2.6
63.29773	0.4
68.99831	2.6
69.03471	0.4
69.30853	4.2
69.31185	0.9
71.01384	5.3
71.05028	0.8
72.99329	1.1
73.02939	2.2
78.82076	0.4
83.01411	0.7
83.05024	0.8
85.02953	3.1
87.00877	1.1
87.78925	0.4
89.02440	1.9
93.03456	1.1
95.01407	0.9
99.00887	1.0
101.02441	4.5
105.56822	0.4
106.06613	0.8
109.02961	0.9
109.60239	0.4
113.02461	2.8
115.05545	1.4
116.92873	1.1
117.03464	33.2
118.03794	1.0
119.05025	21.3
120.05386	0.5
121.02934	1.0
122.06138	1.5
123.04546	0.9
125.02426	0.7
133.02950	1.8
133.06477	0.4
134.06123	5.7
135.04547	2.8
135.08174	0.5
137.02412	1.1
137.99721	0.6
143.05028	20.6
144.05388	1.0
145.02950	100.0
146.03300	3.9
147.04546	1.2
153.01929	14.1
159.03052	0.9
159.04462	0.8
159.30762	0.4
160.01724	0.5
160.03915	0.5
161.02425	4.0
161.04601	1.9
161.06082	3.1
162.03041	0.5
163.00325	0.5
163.04007	15.9
164.04320	1.0
165.01967	0.7
167.10843	0.4
168.04283	11.7
169.04649	0.7
175.03893	0.6
177.05571	0.9
179.03516	1.6
183.06612	4.8
187.03999	31.7
188.04327	1.4
194.08270	0.5
197.04546	0.5
205.05043	1.8
221.04533	0.9
224.09489	0.4
225.10266	0.5
239.11914	1.6
249.10294	0.9
253.06363	0.7
261.98242	0.4
267.07309	0.6
268.08429	0.5
277.09799	0.9
279.07977	0.5
279.11115	0.6
281.09341	0.7
283.10895	6.2
289.07156	0.9
295.10846	1.9
306.88953	0.4
307.08191	2.2
345.11823	0.5
349.05164	0.8
349.09283	9.0
350.09732	0.7
351.21637	1.0
352.22067	2.9
353.22433	2.0
386.24515	2.5
387.16562	3.4
388.17102	0.8
399.25259	0.9
402.18195	0.9
419.24283	0.7
429.25876	0.6
430.17752	6.8
448.18134	0.5
471.31137	1.5
473.14603	7.4
474.15540	0.8
474.30768	4.1
485.29080	0.4
490.19791	4.4
491.15521	2.5
491.28232	0.7
492.16602	0.4
492.31329	1.0
503.29984	1.0
516.17474	0.7
520.95142	0.4
532.28027	2.9
533.16565	16.6
533.29889	14.3
533.40021	0.6
533.41364	0.4
534.18567	8.4
534.30939	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	531.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.04424	0.5
60.01709	0.7
70.21745	1.5
98.19950	0.6
98.31664	0.5
115.62070	0.4
128.43163	0.4
135.04544	0.6
147.04510	0.9
196.89555	1.1
329.45438	0.4
358.09647	0.4
485.13809	0.5
544.67773	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	532.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39355	0.7
58.00172	0.6
59.01382	58.9
60.01730	1.5
61.98833	100.0
69.03457	2.6
71.01388	10.5
71.05022	4.1
71.65570	0.7
72.99330	1.1
73.02947	14.0
83.00966	0.7
83.01409	2.8
85.02975	2.6
89.02472	0.8
92.89994	0.6
101.02454	9.1
105.03499	1.1
113.02435	1.7
121.02964	4.5
123.04549	0.6
125.02523	0.9
131.03474	0.7
134.03761	1.1
135.04588	0.9
140.99481	0.7
145.02957	1.7
161.02452	20.3
161.04565	1.0
162.02858	1.4
177.09239	0.8
179.03604	0.8
189.01935	6.9
214.86240	0.7
215.49976	0.7
219.03033	2.2
221.08188	18.3
221.10239	1.1
222.08521	0.9
231.03076	0.9
265.17465	0.7
291.77136	0.8
309.20898	0.9
337.65079	0.7
382.60275	0.7
459.31226	0.8
471.26016	1.7
472.26208	0.9
489.27188	2.7
490.27362	1.2
513.27130	1.1
531.28125	11.6
532.28607	12.2
533.29816	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	532.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28563	1.1
56.47947	1.0
58.28298	1.0
59.01379	42.0
60.01728	1.3
61.98829	100.0
71.62843	1.5
91.83306	1.2
109.15455	1.3
116.55920	1.1
118.43019	1.3
133.02870	1.1
135.04529	1.3
161.02399	1.8
175.24646	1.2
443.31808	1.6
453.29645	1.2
473.32684	4.1
533.30762	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	533.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32641	1.2
59.01091	2.0
59.01380	32.5
61.98833	13.2
63.88336	1.7
71.01382	21.0
71.66183	1.7
72.99294	2.1
73.02949	7.5
81.03440	1.4
83.01350	2.1
85.02943	4.9
87.00871	3.2
89.02453	7.4
91.01881	2.7
93.03450	7.1
95.09192	1.3
96.96013	8.6
99.92593	1.7
101.02441	9.4
108.02155	4.4
109.02957	79.3
110.03319	1.8
113.02435	5.8
116.92887	3.9
119.03539	1.6
119.05035	26.8
120.05356	1.7
121.02957	5.3
123.04510	6.7
123.08085	1.5
125.02451	1.9
129.03438	5.6
133.01410	1.6
133.02937	3.8
135.04520	9.9
136.01669	4.0
137.02446	12.2
145.02983	13.5
146.03748	49.6
147.04527	48.2
148.04849	1.7
149.02419	2.6
150.03186	9.6
151.03951	4.5
153.01944	1.7
153.05507	1.9
155.71588	1.4
157.02969	2.0
158.03726	30.4
159.04517	34.0
161.02435	8.4
161.04622	1.6
161.06105	8.2
163.04044	14.1
173.02417	1.8
173.06085	34.5
174.03162	1.4
175.04004	5.8
177.02013	1.7
179.03450	1.9
183.47784	1.5
187.04077	3.4
188.04781	2.2
193.05022	1.6
197.04494	1.8
203.03493	4.9
205.04990	2.3
209.06100	1.9
211.03970	2.3
215.03516	4.6
221.06096	2.6
223.03938	1.5
224.04808	1.5
227.03532	3.4
229.01408	14.7
237.05624	2.4
238.06345	4.1
239.03542	2.5
239.07132	3.5
240.04138	2.1
248.04639	2.3
249.05627	7.8
250.06277	2.3
252.04269	3.8
253.04933	2.0
265.05090	15.0
266.05829	63.4
267.06595	52.5
268.07361	24.6
269.07797	1.8
276.04410	1.7
277.05066	6.9
278.05719	2.7
281.08423	33.6
282.08560	2.2
283.06561	3.0
283.09753	56.2
284.10110	5.7
291.04218	2.9
292.07568	3.4
293.04489	6.5
294.05328	16.4
295.05829	2.0
308.06927	2.4
309.04230	2.4
309.07675	24.3
310.08148	2.6
327.08725	81.4
328.08936	6.5
338.04285	1.7
339.08798	2.4
346.41418	1.4
351.08771	7.2
353.06677	100.0
354.06949	10.9
369.09766	14.7
369.14218	2.0
371.07761	3.7
373.22302	2.3
399.10773	2.6
413.08725	21.6
414.08948	3.5
445.11414	22.7
446.11270	3.2
473.10428	2.2
474.11963	1.8
489.23239	3.1
507.36197	1.9
510.28925	1.8
533.13495	2.9
533.21124	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	531.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
57.03443	0.8
58.00604	0.7
59.01379	100.0
60.01718	1.2
61.98824	1.9
71.01383	18.1
71.62695	0.4
72.99317	1.3
73.02947	5.8
83.01398	2.6
85.02952	5.5
87.00908	1.0
89.02443	10.2
94.89196	0.3
95.01382	1.8
97.02966	0.4
99.00893	1.0
101.02441	9.9
113.02451	16.0
119.03502	3.1
125.02454	0.8
131.03531	0.6
133.02953	0.6
135.04533	0.4
143.03500	1.6
145.02982	0.3
149.04601	0.6
161.02464	0.9
161.04529	4.1
161.05640	0.3
179.03679	0.4
179.05653	1.3
180.30885	0.3
187.03963	0.3
188.27222	0.2
217.40649	0.3
254.10197	0.3
375.08737	0.3
471.33282	7.7
472.33679	1.0
489.34338	6.3
490.34460	0.7
529.30756	0.3
531.34631	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	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33447	0.4
52.30925	0.4
59.01381	100.0
60.01714	0.8
60.66367	0.4
61.98813	0.5
71.37110	0.7
106.39314	0.4
110.42231	0.5
135.04562	0.4
147.73177	0.4
161.02454	1.1
215.62756	0.5
384.58328	0.4
471.35095	1.5
473.36203	0.5
531.30652	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	531.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17412	0.5
55.15785	0.5
57.03410	0.7
59.01380	100.0
60.01714	1.2
60.99306	1.3
61.98835	1.8
71.01386	9.2
71.62677	0.6
72.66275	0.5
72.99311	1.1
73.02964	3.3
83.01404	1.9
85.02946	3.7
87.00857	0.6
88.98801	4.6
89.02436	4.2
89.22710	0.6
89.36401	0.5
93.03490	0.6
95.01385	0.7
99.00890	0.5
101.02438	5.6
103.57761	0.5
112.22236	0.5
113.02456	6.1
119.03527	1.4
133.02956	1.1
134.06175	0.8
135.04559	1.9
137.02480	2.1
143.03574	1.0
145.02988	0.5
161.02444	5.3
161.04494	2.6
170.92450	0.6
179.05638	0.7
235.51108	0.5
458.33466	0.5
471.32245	5.2
472.32553	0.9
489.34485	3.3
531.20618	2.2
531.29773	2.4
531.36908	2.9
532.21014	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	531.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	1.1
69.40760	0.3
69.41068	3.1
71.01390	0.6
73.02926	0.5
79.46290	0.4
83.01420	0.4
89.02428	0.3
98.19864	0.8
101.02454	0.6
113.02480	0.4
139.83192	0.4
152.45679	0.3
201.37968	0.5
389.24957	0.6
405.28030	0.7
410.37936	0.4
416.79166	0.4
419.24356	0.9
427.28998	0.9
444.08588	0.4
451.28644	0.5
453.30350	1.0
455.27957	1.9
471.31137	26.8
472.31583	3.9
489.34314	0.7
531.32953	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	531.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16195	0.3
58.64407	0.2
59.01382	100.0
60.01725	1.1
61.98831	0.3
69.33685	2.1
71.01380	0.2
104.46627	0.2
132.90494	0.2
187.30264	0.3
205.81345	0.2
226.95869	0.3
248.99881	0.2
252.83942	0.2
293.12033	0.2
453.30325	0.7
471.31186	2.8
489.34503	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	531.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67962	0.2
59.01382	100.0
60.01712	0.6
66.43023	0.2
109.28653	0.2
129.84825	0.2
133.02994	0.2
134.06187	0.3
161.02510	0.3
179.03587	0.2
182.28410	0.2
188.93277	0.2
200.00153	0.2
225.10376	0.2
237.68501	0.2
265.51361	0.2
277.09967	0.2
308.93735	0.2
398.15222	0.3
405.28140	0.4
471.31161	15.5
472.18765	0.4
472.31482	1.9
519.97418	0.2
531.33020	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	531.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	0.8
61.98836	0.1
71.01379	0.6
73.02953	0.2
83.01381	0.1
85.02956	0.2
89.02454	0.2
91.39020	0.1
93.03455	0.1
95.05081	0.1
97.98419	0.1
101.02451	0.2
103.77487	0.1
106.06580	0.1
113.02470	0.4
119.03508	0.1
130.06630	0.1
134.06128	0.4
135.04518	0.2
137.02464	0.1
149.02522	0.1
158.06229	0.1
161.02501	0.1
161.04605	0.1
178.25479	0.1
179.03539	0.1
225.10413	0.4
237.10310	0.1
249.10454	0.1
251.08340	0.1
263.08508	0.1
277.09872	0.1
305.09372	0.1
372.17267	0.2
375.24057	0.2
389.24985	0.3
398.15247	0.3
407.25540	0.1
419.24457	0.1
427.28821	0.2
440.16364	0.4
471.31207	1.5
472.18784	0.6
472.24533	0.1
472.31577	0.2
489.34299	0.2
500.18121	0.3
531.33075	0.3
532.20923	0.4
536.75360	0.1
548.57813	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	531.2966
Annotation	Wikstroelide E
Peak:m/z	Relative Intensity
57.03434	0.6
58.00578	0.4
59.01134	0.2
59.01385	2.7
60.99297	0.7
61.98828	0.2
67.91602	0.1
69.03471	1.0
69.27960	1.6
71.01383	0.4
71.05023	0.8
72.99317	0.2
73.02951	1.5
75.00881	3.0
80.49351	0.2
83.05021	0.3
85.02940	0.1
87.04521	0.2
93.03465	0.3
95.05010	0.3
105.21445	0.2
108.54006	0.2
109.06583	0.2
119.05033	2.3
119.08659	0.3
133.02884	0.3
135.04547	0.8
136.04868	0.2
137.02412	0.3
141.33696	0.2
145.02876	0.2
147.48320	0.2
161.02429	0.6
161.09775	0.2
163.04015	2.3
175.11272	0.3
179.03506	0.4
187.11179	0.2
196.90732	0.2
205.27638	0.2
312.16623	0.2
347.23767	0.2
355.24365	0.3
359.23679	0.4
365.24820	0.5
371.27362	0.6
375.26923	0.6
377.24515	0.6
377.28455	1.1
381.27969	0.6
389.28549	0.6
393.27982	1.4
395.25659	0.3
403.26340	0.3
411.29269	1.2
421.27423	0.8
433.27466	0.5
439.28711	0.8
451.28445	2.0
452.28873	0.3
455.28198	0.8
457.29684	0.5
469.29617	1.9
483.27359	1.1
485.29337	0.4
487.25122	0.3
488.40732	0.2
513.28387	1.8
514.28979	0.2
531.29608	100.0
532.29999	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	531.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01727	0.7
61.98823	0.6
66.25461	0.2
71.01383	1.8
71.50205	0.2
73.02940	0.5
83.01377	0.2
83.24964	0.2
85.02957	0.7
89.02460	0.9
90.07578	0.2
101.02448	1.5
109.57368	0.2
113.02468	1.1
133.02971	0.3
135.04524	0.5
143.03503	0.2
161.02432	0.3
161.04593	0.5
179.05586	0.3
202.43484	0.2
229.60162	0.2
255.52016	0.3
306.21573	0.4
329.49362	0.2
389.25592	0.3
402.90030	0.3
453.30066	5.5
454.30591	0.6
471.31198	4.5
472.31726	0.7
489.34494	1.0
531.32672	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	531.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80148	0.3
57.03468	0.3
59.01379	100.0
60.01715	0.7
61.98825	0.6
64.69679	0.3
71.01373	1.7
71.05038	0.7
73.02956	1.8
73.95969	0.3
83.05042	0.4
85.02939	0.5
89.02484	0.5
95.37608	0.3
98.71691	0.3
101.02448	1.8
113.02445	0.4
119.05021	0.3
133.02956	0.4
135.04515	1.9
145.02940	0.3
147.04512	0.4
151.79709	0.3
161.02359	1.6
179.03535	0.4
197.04605	0.4
204.33531	0.3
207.43291	0.3
353.24954	0.9
377.24951	1.0
385.24292	0.4
393.99973	0.3
419.24530	0.5
435.28671	0.4
441.30136	0.4
443.28308	0.5
459.31107	8.2
460.31790	1.0
471.31339	2.8
487.25272	0.7
489.26520	0.3
489.32309	8.0
489.38953	0.5
490.32623	1.1
531.27979	8.6
532.28955	0.7
543.75635	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	531.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01713	1.0
69.40115	1.1
71.01401	0.3
73.35389	0.1
89.27079	0.2
113.02447	0.2
128.93529	0.2
150.22523	0.1
157.66147	0.2
161.02458	0.3
179.03554	0.2
188.47421	0.1
196.58957	0.2
249.18633	0.8
425.31244	0.1
453.30124	1.5
454.30814	0.3
471.31210	1.7
472.31607	0.3
517.74115	0.2
531.24408	0.2
531.33905	0.4
532.24945	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	531.2964
Annotation	Wikstroelide E
Peak:m/z	Relative Intensity
57.03442	0.9
58.00574	0.4
59.01380	1.5
60.99300	1.0
61.98823	1.0
69.03448	1.0
70.48453	0.2
71.01378	0.7
71.05018	1.0
71.94873	0.2
72.99299	0.3
73.02950	2.0
75.00878	3.9
76.11991	0.2
83.05022	0.4
85.02950	0.2
87.04536	0.3
94.28812	0.2
95.05003	0.4
101.02455	0.6
109.02954	0.2
109.06641	0.2
112.10381	0.2
119.08640	0.2
123.08125	0.3
133.02960	0.4
135.04501	0.3
143.08662	0.6
161.02463	1.0
161.09653	0.4
162.02811	0.2
163.02904	0.2
171.11584	0.3
175.11302	0.4
179.03568	0.2
181.10211	0.4
182.68707	0.3
183.11778	0.5
187.14857	0.3
262.07175	0.2
267.16031	0.3
293.19101	0.3
307.20340	0.2
347.23953	0.2
355.24112	0.3
357.22186	0.3
359.23804	1.4
361.21677	0.3
365.24701	0.5
371.27472	0.9
373.25375	0.4
375.26950	1.4
377.24655	0.9
377.28970	1.2
378.33783	0.2
381.27988	0.8
387.27307	0.3
389.28455	0.9
391.26392	0.3
393.27911	1.1
394.28625	0.3
403.26254	0.7
405.28174	0.5
409.27423	0.3
411.28867	1.2
412.29175	0.3
417.24353	0.3
421.27411	0.8
433.27499	1.5
435.25342	1.6
437.26923	0.3
439.28534	1.8
440.28769	0.4
441.26633	0.4
450.27725	4.9
451.28525	11.2
452.28696	1.7
453.26440	5.6
454.26755	0.6
455.28009	1.0
457.29596	0.8
467.28207	1.2
468.28790	6.7
469.29535	11.3
470.30142	1.5
483.27484	2.3
485.28931	0.6
487.30637	1.9
488.30716	0.3
501.28326	1.3
513.28674	2.6
514.28503	0.2
531.29602	100.0
532.29956	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	531.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01714	0.8
60.83785	0.6
61.98832	9.0
61.99109	1.0
63.72784	0.7
69.42491	6.1
71.01382	10.1
71.05048	1.0
72.99316	2.3
73.02950	7.9
83.01402	1.9
85.02957	2.9
87.00890	0.7
89.02477	3.2
93.03442	0.8
95.01429	0.9
101.02451	8.1
104.70657	0.6
107.09083	0.6
113.02454	3.3
116.92881	0.8
123.04510	0.7
130.07571	0.6
133.02943	1.7
134.03821	0.9
135.04533	5.9
136.04846	1.1
137.02412	1.6
145.02899	1.5
153.11388	0.7
161.02441	8.0
161.04565	1.4
179.03523	3.2
189.01917	0.7
189.91960	0.6
197.04543	1.7
207.03094	0.7
221.08266	1.2
233.68466	0.7
239.16565	0.7
265.18155	1.5
309.20789	1.3
353.24930	1.1
378.29523	0.7
389.61603	0.7
445.24457	1.4
459.31055	3.9
471.25577	1.6
471.31607	1.6
487.25473	23.1
488.25714	1.9
489.26181	1.1
489.32230	3.6
513.26837	1.7
531.28271	25.1
532.28809	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	529.3535
Annotation	Holstinone A
Peak:m/z	Relative Intensity
58.00601	9.2
59.01380	18.2
61.98823	0.5
71.01382	1.6
72.99305	3.3
73.02959	0.9
75.11975	0.4
78.30840	0.4
85.02950	0.7
86.00073	0.6
87.00864	1.2
89.02465	0.6
101.02465	0.8
108.02206	0.6
109.02923	0.5
113.02412	0.8
119.05006	0.5
119.08662	1.0
133.02936	0.5
135.04497	1.7
137.02446	0.9
152.01123	0.4
161.02431	2.0
161.04535	1.0
179.03439	0.9
197.04576	0.6
202.12361	0.4
225.88774	0.4
249.14902	0.5
270.40732	0.4
301.21771	0.8
309.94553	0.4
349.84021	0.4
366.69513	0.4
387.30728	0.5
389.28583	0.6
395.29416	0.4
404.27173	0.9
405.27966	12.5
406.28381	1.1
407.29514	2.0
419.29575	14.2
420.30222	5.5
421.31104	34.8
422.31421	4.1
425.30533	0.6
435.32666	100.0
436.33044	13.5
436.37991	0.3
437.30399	1.3
451.32425	0.7
452.29709	0.6
453.34122	3.1
463.32123	4.4
464.32584	0.8
465.33929	1.1
467.31845	0.8
469.31766	1.2
475.53699	0.4
479.31613	3.5
480.31903	0.9
481.33337	3.3
483.34924	1.7
487.33905	0.9
497.32678	9.2
498.33093	1.2
501.35861	57.4
502.36252	6.8
509.32419	2.9
511.34256	6.9
512.34485	0.8
513.32202	1.5
529.35370	73.4
530.35687	10.7
555.33148	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	530.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	44.1
60.52550	0.5
61.98831	100.0
70.67678	1.7
71.01379	4.1
73.02938	1.3
84.25086	0.6
85.02938	1.2
89.02473	1.5
101.02448	2.6
113.02452	1.5
161.02467	0.6
161.04588	1.3
171.10342	1.6
202.60329	0.5
253.09317	2.2
254.09596	0.7
275.20294	1.4
276.20432	1.7
293.21216	4.7
294.21564	6.5
381.22818	2.2
530.32611	1.0
531.33752	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	530.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79542	0.5
56.08778	0.6
57.01692	0.6
59.01379	44.9
60.01694	0.8
61.98828	100.0
71.01379	2.9
73.02943	1.3
75.00883	0.5
85.02975	2.6
89.02465	1.8
99.29044	0.5
101.02431	2.2
113.02492	2.1
143.03494	0.6
161.04602	1.5
171.10262	1.9
172.10616	0.7
195.13907	0.8
196.00365	0.5
219.17670	0.6
221.61510	0.5
253.09340	2.7
254.09665	1.8
275.20270	1.5
276.20526	1.9
292.19901	0.5
293.21231	6.3
294.21564	8.7
305.69601	0.7
381.22931	2.1
471.33087	0.8
487.33823	0.7
531.33319	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	531.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.6
61.98826	0.4
69.37323	0.6
69.37733	1.7
71.01376	1.1
72.99304	4.4
73.02943	0.8
85.02959	0.5
87.04502	0.2
89.02458	0.4
89.66258	0.2
91.05523	0.4
93.03445	0.3
101.02442	0.9
105.20235	0.2
106.04246	0.3
107.05042	0.8
108.02265	0.2
109.02935	0.5
109.71919	0.2
113.02441	0.8
113.06075	0.3
117.03463	0.4
119.05008	2.3
121.02978	0.2
123.04536	1.6
133.02921	0.8
134.03755	2.4
135.04523	100.0
136.04852	3.1
136.05782	0.4
137.02446	0.3
145.02982	0.4
147.04558	1.5
151.04007	1.3
161.02469	2.1
162.02786	0.4
163.04018	2.0
167.59015	0.3
177.05563	0.3
179.03496	9.5
190.83655	0.2
192.02879	0.2
197.04546	4.2
221.04529	0.4
239.05580	2.2
256.36774	0.2
328.22125	0.3
329.22726	0.3
383.09439	0.4
427.13940	3.8
453.43335	0.3
468.11884	0.2
469.29987	0.3
471.12842	3.2
471.25513	0.3
471.31500	0.4
472.13089	0.3
487.25180	0.4
489.13950	3.1
489.27255	0.7
501.32364	0.4
531.15338	5.5
531.28076	4.9
532.15387	0.8
532.29480	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	531.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60076	0.9
53.64219	0.9
57.03444	0.9
59.01380	100.0
61.98815	3.0
68.99819	1.3
69.03438	1.3
70.05030	0.8
71.01377	14.1
71.66243	1.4
72.99300	3.7
73.02944	12.3
74.44382	0.7
75.00883	1.3
83.01391	3.6
85.02941	5.0
86.00124	0.8
87.00881	8.8
87.42187	0.8
89.02454	3.9
92.62025	0.7
93.03467	2.1
95.01429	1.4
95.99097	0.8
97.02959	1.6
97.06601	1.3
99.00887	5.4
99.04497	1.2
101.02428	9.5
109.02930	2.1
109.19382	0.9
110.12541	0.8
111.00874	2.5
113.02441	9.2
117.03465	6.8
117.05526	1.6
119.05022	53.3
120.05313	1.9
121.02940	1.4
123.04542	1.3
129.01949	4.2
130.06596	0.9
131.07071	1.0
133.02930	3.6
133.06636	1.2
134.03780	1.6
134.06102	1.4
135.04527	21.7
136.04837	3.2
137.02415	1.0
141.01939	6.6
145.02959	29.3
146.03311	1.0
147.08124	1.7
149.02467	1.4
150.03215	1.4
157.21584	0.9
159.02988	39.2
161.02441	12.0
161.04482	1.8
162.02817	1.9
163.04005	39.5
164.04333	1.4
171.10210	0.8
173.02371	0.8
177.05566	1.1
179.03487	6.3
180.03885	1.0
189.05566	0.9
197.04579	2.9
207.10272	1.3
207.13983	1.3
225.11317	87.1
226.11618	4.4
237.18503	1.1
240.37244	0.9
251.12866	4.5
268.03848	1.0
269.04611	1.7
283.15591	2.7
291.19672	2.6
305.06668	60.2
306.07120	4.7
309.20645	3.8
311.05585	1.9
327.21729	6.1
329.23373	1.9
382.54428	0.9
471.26083	2.8
489.27167	4.9
513.27173	2.0
531.28284	48.0
532.28796	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	529.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48977	0.3
56.99833	0.3
59.01381	100.0
60.01714	0.7
61.98835	1.3
71.01366	0.3
75.00874	0.4
77.89223	0.2
94.95670	0.3
113.02486	0.3
133.02998	0.4
135.04526	0.4
179.03584	0.4
204.39481	0.3
216.24422	0.3
277.21844	1.3
285.89523	0.3
471.35074	1.4
529.30139	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	529.3534
Annotation	Rubianol b
Peak:m/z	Relative Intensity
59.01088	0.6
59.01380	8.8
61.98838	0.4
69.53831	1.7
78.39037	0.3
120.75900	0.2
161.02431	0.4
183.09482	0.3
422.31104	0.3
441.33737	0.6
469.33179	2.3
470.33847	0.5
514.51727	0.3
529.35352	100.0
530.35669	12.8
530.43762	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	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53443	1.0
57.03435	1.8
58.85123	0.9
59.01385	13.1
61.98827	2.9
68.71702	1.1
70.25655	1.0
71.01376	15.6
72.99325	6.1
73.02905	1.2
75.00880	20.5
78.95917	2.6
84.02261	1.2
85.02959	20.1
87.00889	7.3
89.02424	3.5
95.01404	5.8
99.00887	9.4
103.00371	2.6
113.02454	27.6
115.00385	2.8
117.01978	2.6
129.01933	2.1
152.99571	2.0
161.02431	1.5
175.02461	3.6
205.07033	1.5
231.05043	2.9
249.06129	21.1
267.07251	3.2
277.21716	2.2
278.97696	1.1
279.23291	92.4
280.23672	7.2
415.66571	1.1
469.27765	1.6
511.29407	3.4
529.30176	100.0
530.30322	11.3
558.07623	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	529.3167
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
59.01386	7.3
60.99284	2.2
61.98824	1.5
71.64119	0.8
75.50819	0.6
78.20816	0.6
95.75694	0.6
111.00854	0.9
133.02962	0.7
156.51334	0.6
157.05945	0.8
161.02411	1.4
165.85124	0.7
271.99274	0.7
293.21228	1.8
377.28354	0.9
391.30139	1.4
405.27811	1.6
409.30923	1.3
423.28876	2.7
435.29138	1.4
437.30426	2.0
471.38907	0.7
478.68805	0.6
511.30167	0.7
519.13580	0.7
529.31635	100.0
530.24475	1.1
530.31995	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	529.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98833	59.7
70.81828	3.9
70.82143	3.2
71.01389	14.4
73.02953	5.1
78.95895	2.3
83.01403	2.4
85.02958	3.8
89.02452	7.6
95.01401	2.1
101.02442	9.5
113.02450	8.9
114.52097	2.7
119.03486	3.3
121.10242	4.4
122.13981	2.2
124.57425	2.3
133.02943	3.2
135.04488	4.9
161.02448	6.2
171.10283	16.8
173.66014	2.3
215.10768	4.9
253.09367	11.7
275.20105	13.9
276.37524	2.4
293.21185	29.4
310.82260	2.4
421.27356	7.8
447.13519	6.7
469.29684	41.7
470.29712	7.2
520.38715	2.5
527.17505	2.7
529.33582	15.8
530.32361	2.4
537.18896	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
58.00594	0.3
59.01381	26.3
61.98823	0.6
69.03452	0.4
71.01385	7.6
71.63110	0.4
72.99306	0.8
73.02940	1.8
75.00876	0.3
76.76524	0.3
83.01387	0.7
85.02953	2.4
87.00866	1.0
89.02444	6.8
95.01407	0.8
97.06635	0.3
99.00886	0.3
101.02443	8.3
109.73319	0.3
111.08144	0.8
113.02454	5.0
119.03484	2.3
125.02437	0.3
131.03500	0.3
133.02986	0.7
135.04501	0.7
143.03432	0.6
161.02501	1.5
161.04564	3.4
167.10660	0.4
169.79553	0.3
177.12872	0.6
179.03497	0.6
179.05611	1.5
179.10793	0.3
179.14439	1.0
195.13879	8.4
196.14375	0.6
205.12267	0.7
205.15881	0.5
211.13416	0.4
223.13383	5.6
224.13754	0.4
228.13690	0.9
231.21045	0.4
241.23189	0.3
253.09280	31.3
254.09645	0.9
256.13126	1.4
265.21594	0.4
275.20148	5.6
276.20413	0.4
279.29086	0.3
293.21222	100.0
294.21582	8.0
469.30402	0.8
480.59894	0.3
487.32736	0.6
492.22302	0.8
529.35413	5.0
530.35248	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03696	1.2
59.01381	100.0
59.19775	1.1
61.98835	15.7
71.01389	7.5
73.02975	2.0
76.03136	1.1
81.41682	1.3
83.01391	1.6
85.02962	2.5
87.00875	1.4
89.02441	7.1
95.41570	1.1
98.19803	2.5
101.02432	9.1
113.02447	4.2
116.92873	1.3
119.03476	2.8
121.10226	15.7
133.02898	1.5
135.04553	2.6
150.16428	1.0
153.09116	1.8
157.67583	1.2
161.02467	2.9
161.04530	3.5
171.10268	51.7
172.10565	1.7
179.05685	1.6
195.13829	1.9
231.21185	1.9
246.42143	1.3
253.09288	32.0
254.09438	1.3
275.20142	45.9
276.20566	2.2
293.21231	76.9
294.21548	7.6
439.28262	2.4
469.29550	19.4
470.29984	2.7
529.31219	5.3
529.35004	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	529.3016
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03443	2.4
59.01374	13.8
61.98820	4.0
69.03458	1.4
69.33694	6.9
69.34119	2.6
71.01385	18.3
72.99311	4.0
73.02961	1.7
75.00873	19.2
78.95896	1.0
83.01383	1.6
85.02950	21.1
87.00880	8.5
89.02454	5.0
94.97953	0.9
95.01392	5.1
98.20647	2.1
99.00879	9.8
101.02408	1.2
103.00374	1.9
113.02447	32.1
115.00365	1.1
115.32590	1.0
117.01929	2.7
121.50192	0.9
129.01869	0.9
131.03462	1.4
157.01413	1.8
175.02422	3.7
193.03532	1.1
205.07156	2.6
223.08141	1.6
249.06096	8.4
255.23238	6.0
267.07172	8.9
277.21719	3.1
279.23273	65.1
280.23517	4.6
445.23148	1.1
480.30893	2.3
493.01141	1.2
498.40082	1.2
511.28802	2.8
529.30182	100.0
530.22552	1.8
530.30548	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	529.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	2.4
57.03474	2.4
59.01382	100.0
61.98843	2.5
64.49879	1.6
69.03463	4.9
71.01387	27.5
72.99318	4.8
73.02948	29.5
77.11388	1.5
81.03490	2.0
83.01399	6.7
83.05033	1.9
85.02956	9.5
87.00922	4.4
89.02454	12.9
95.01408	2.5
96.96001	1.8
97.02960	3.6
99.00896	3.3
99.04525	17.2
99.50236	1.5
100.31954	1.8
101.02453	22.7
110.72890	1.9
113.02458	20.6
117.03478	1.9
119.03554	4.0
119.05013	2.8
123.04562	3.3
125.02470	6.0
126.41343	1.8
126.42207	2.1
131.03529	2.4
133.02991	4.4
135.04527	19.2
143.03525	5.0
145.02997	7.0
148.05312	4.8
151.07693	2.1
161.02484	14.3
161.04565	5.2
163.04042	4.5
163.07631	2.4
167.10815	4.2
179.03552	6.5
209.02805	1.8
219.13910	3.7
221.06819	2.4
237.14981	14.2
238.15308	1.8
247.16504	1.6
263.07925	1.9
263.12918	2.4
272.75195	1.8
281.13943	71.3
282.14316	3.8
289.18414	2.3
307.19196	19.6
325.20169	1.8
349.09454	1.6
469.24612	2.9
474.85580	1.7
487.25842	3.6
511.25381	2.2
529.26776	66.1
530.26923	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	529.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95512	0.3
59.01381	7.7
61.98844	0.4
69.70350	1.3
69.70761	0.6
71.01382	1.0
72.99325	0.7
73.02956	0.7
101.02457	0.5
113.02480	0.5
133.02963	1.2
135.04539	1.0
145.02937	0.9
147.04428	0.3
149.06061	0.6
161.02438	2.7
162.02792	0.4
163.04048	0.3
179.03548	0.6
198.06747	0.3
204.61292	0.3
226.06406	0.3
239.10847	0.6
240.07849	0.5
249.93452	0.4
253.09184	0.3
254.05832	32.6
255.06192	1.9
263.10794	0.5
267.10260	2.2
269.08215	3.2
276.07892	1.1
277.08691	1.7
277.12143	0.6
278.09436	4.3
278.12158	0.5
279.09882	0.6
281.11807	2.2
291.10266	3.9
292.10880	1.0
293.11819	11.5
293.21222	0.8
294.08990	0.9
294.12320	0.9
295.09741	6.7
295.12860	0.5
296.10138	0.6
309.11343	4.9
310.12103	55.6
311.12399	4.5
316.09348	0.3
325.14435	100.0
326.14761	9.0
460.11722	0.3
501.35730	0.5
529.17371	0.6
529.35822	4.1
530.36157	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	529.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
59.01377	43.0
61.98794	2.5
62.68409	0.6
69.03442	1.0
69.43144	0.6
71.01385	12.6
71.63040	0.8
72.99308	3.8
73.02593	0.8
73.02943	9.9
77.74957	0.6
81.03419	1.3
83.01394	3.2
83.05001	1.0
85.02947	5.4
87.00837	2.1
89.02448	5.2
93.03461	1.1
95.04486	0.8
95.05028	12.3
96.95963	1.3
97.06585	48.3
98.06904	1.7
99.92543	2.1
101.01860	0.8
101.02441	11.8
108.02119	1.5
108.39433	0.6
108.81920	0.6
109.02924	1.6
111.04458	0.7
113.02421	4.7
115.07634	8.1
115.92035	2.1
116.92833	2.9
119.03454	1.3
119.04971	2.2
123.04472	1.4
127.00379	1.6
133.02911	2.5
133.10184	0.8
134.03694	0.9
135.03590	0.9
135.04518	11.9
136.04800	1.2
137.02357	1.0
137.06006	0.9
139.00322	1.0
139.07648	1.5
141.05533	1.1
152.01106	1.3
152.88797	0.6
155.07095	1.1
157.01396	3.1
159.06618	47.9
160.06973	1.2
161.02420	10.4
161.04449	1.3
162.02681	1.9
163.03954	2.3
163.11214	2.7
173.08070	1.3
179.03484	5.7
180.03777	0.8
183.06615	11.3
197.04541	3.4
201.07582	2.7
207.10287	4.2
225.11212	2.5
225.13261	0.6
227.18050	0.6
261.09622	1.2
289.17853	2.1
294.02603	0.6
307.19083	11.5
309.07541	0.8
310.08508	0.8
325.10822	3.5
325.20200	0.7
369.15424	2.4
383.13391	1.0
387.16592	8.5
388.16751	1.2
469.20288	1.0
487.24661	0.7
511.21390	1.0
529.22632	100.0
530.23047	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	529.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03580	0.2
58.00571	0.4
59.01389	5.1
69.44714	1.6
71.01387	3.5
73.02950	0.4
83.01387	1.5
85.02947	1.1
87.00893	0.5
89.02446	3.6
91.78976	0.3
93.03474	0.8
95.01415	0.3
98.20578	0.5
101.02435	1.9
111.83058	0.3
113.02454	1.9
117.03471	29.2
118.03796	0.7
119.03553	1.0
119.05028	26.1
120.05364	1.0
125.02480	0.3
133.06609	0.3
143.03474	0.6
145.02957	100.0
146.03291	3.3
161.04622	0.4
161.06032	0.6
162.23999	0.3
163.04012	49.5
164.04332	2.1
179.05652	0.7
187.04050	0.6
189.05440	0.3
192.53180	0.3
205.05005	0.7
265.07159	0.3
289.06940	0.3
307.08289	1.9
323.09909	1.2
341.11053	1.1
349.09372	0.7
367.10519	0.6
469.13394	2.3
472.94852	0.3
487.14597	12.4
488.14969	1.5
529.15643	16.2
530.16095	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	529.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
58.00609	1.5
59.01381	100.0
61.98833	5.8
68.77468	1.5
69.03448	3.0
69.34518	7.1
69.34943	7.2
71.01380	32.9
72.99317	6.3
73.02944	23.1
80.17288	1.6
83.01389	7.8
83.05048	1.5
85.02956	10.0
87.00887	3.8
89.00397	1.5
89.02438	13.9
93.03455	2.6
95.01399	1.8
95.06560	1.3
96.96058	2.1
97.02969	5.5
99.00909	4.3
99.04520	8.5
101.02436	22.0
109.03013	3.2
111.00900	3.8
113.02449	19.4
117.03486	3.1
119.03489	4.3
119.05049	6.0
121.02937	2.6
123.04507	4.4
125.02477	6.8
129.05580	1.8
131.03474	1.5
133.02983	5.6
134.03769	2.9
135.04526	28.5
136.04860	3.4
139.04015	2.0
143.03539	4.2
145.02913	10.6
148.05342	7.0
157.01428	2.9
161.02446	14.4
161.04544	3.6
162.02798	1.8
163.04039	5.6
163.07663	2.0
164.58051	1.7
167.10802	3.5
179.03474	7.3
179.05605	1.8
197.04523	4.1
202.68092	1.7
219.13937	2.2
221.06584	1.9
225.11340	2.3
229.04573	1.5
237.15033	7.0
263.07767	3.0
281.13953	48.7
282.14359	2.5
289.18149	4.1
294.86386	1.6
307.19083	15.4
469.24347	1.9
485.23990	5.3
487.25732	3.3
511.25885	1.7
529.26740	71.5
530.26849	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	529.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21063	0.6
59.01389	6.3
68.10668	0.5
69.71755	2.4
69.72173	1.0
71.01388	5.8
72.99306	4.4
73.02929	0.7
75.00889	0.6
83.01398	1.6
85.02959	1.4
87.00880	1.4
88.98814	1.3
89.02439	4.8
89.66807	0.6
91.00374	0.8
91.91188	0.5
93.03458	0.7
100.41016	0.6
101.02428	2.3
109.02946	0.5
113.02444	2.4
116.07225	0.8
117.03468	29.0
118.03806	0.9
119.05022	20.3
120.05369	0.5
125.02430	0.5
135.04547	0.7
143.03525	0.9
145.02953	100.0
146.03268	4.2
159.04573	0.6
161.02489	0.7
161.04652	0.5
161.06117	0.7
163.04010	40.3
164.04396	1.5
179.05647	0.8
205.05057	0.8
229.05150	0.6
235.06133	0.8
265.07153	0.9
269.04572	2.2
307.08270	1.9
316.42477	0.5
341.10764	0.9
349.09283	1.0
367.10150	0.9
449.67487	0.5
469.13345	3.9
487.14572	15.7
488.14951	1.8
517.35187	0.5
529.15607	23.2
529.25812	1.1
530.16064	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	529.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.7
69.03474	0.4
70.13564	0.3
71.01386	3.3
71.39455	0.6
72.99316	0.3
76.18869	0.3
83.01392	1.1
85.02963	0.8
87.00883	0.8
89.02442	3.1
93.03446	0.6
95.01388	0.4
97.02942	0.4
101.02435	1.6
103.65694	0.3
113.02450	2.5
117.03469	29.2
118.03830	1.1
119.05025	34.3
120.05357	1.5
143.03494	0.8
145.02954	100.0
146.03290	4.0
155.32928	0.4
161.04616	0.8
161.05991	0.5
163.04007	66.4
164.04366	1.9
187.03975	0.6
205.05063	0.7
307.08203	3.0
323.09818	3.0
341.10999	1.0
469.13638	0.7
487.14532	11.2
488.15164	1.2
510.38312	0.4
529.15625	12.1
530.16016	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	527.3378
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
53.62787	0.3
59.01380	49.7
60.01712	0.4
63.09384	0.3
69.52646	0.7
69.53054	1.6
73.02948	0.8
112.92667	0.2
123.74915	0.3
135.10275	0.3
177.31377	0.3
179.59807	0.3
267.13217	0.3
269.05096	0.3
280.12180	0.3
287.17996	0.8
289.19611	0.3
326.70432	0.3
371.27588	0.5
373.25403	0.8
373.29364	0.6
375.30530	1.4
387.30634	1.6
403.30002	5.1
404.30295	0.4
405.31583	0.6
407.29504	0.7
419.29575	0.5
437.30881	1.4
485.32520	1.7
497.29263	0.5
500.15234	0.3
527.33771	100.0
528.34113	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	528.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.0
61.98833	100.0
69.51514	2.3
69.51942	2.3
134.21245	0.6
156.93199	0.6
165.47707	0.6
227.30075	0.6
330.76553	0.6
394.27600	0.7
409.30914	0.7
529.31451	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03461	4.6
58.00584	0.8
59.01382	28.0
62.45004	0.6
67.01883	1.1
69.03474	0.8
69.35484	2.5
69.35909	3.0
71.01385	29.9
72.99305	7.7
73.02946	2.2
74.96103	0.6
75.00877	23.1
78.98603	1.5
79.95749	3.1
80.96515	18.0
81.03457	0.8
83.01402	1.2
85.02952	30.6
87.00880	10.4
89.02452	7.3
94.98090	4.6
95.01392	6.9
97.02976	0.9
99.00890	12.4
101.02440	1.5
103.00382	3.9
106.98096	0.7
111.00901	1.0
112.01643	0.8
113.02455	41.1
115.00378	2.1
117.01947	3.6
129.01965	2.3
131.03493	1.1
133.02939	1.0
134.97589	1.0
135.04501	2.0
137.00951	0.7
148.99152	2.3
152.98637	1.4
157.01422	2.0
161.02451	3.1
164.98579	3.7
175.02466	5.1
179.03517	2.5
193.03548	1.1
205.07161	2.7
206.99777	1.2
223.08299	1.5
225.00732	4.3
231.05098	1.9
249.06122	8.7
267.07217	10.3
275.81424	0.6
277.21716	66.1
278.22107	5.8
467.26675	1.6
509.27756	3.6
527.28949	100.0
528.29321	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
57.03444	1.8
59.01379	11.4
65.35299	0.7
67.01893	1.3
68.99818	1.5
69.03452	1.3
69.52679	5.1
71.01380	16.4
72.99310	5.9
73.02946	1.5
75.00875	18.9
78.25584	0.6
85.02436	0.9
85.02953	17.5
87.00874	7.9
89.02432	2.6
90.53146	0.7
95.01392	5.6
98.20558	1.5
98.99055	0.8
99.00883	9.6
103.00374	2.4
111.00893	1.1
113.02454	28.3
115.00375	2.2
115.38077	0.6
117.01949	3.2
129.01961	2.2
129.71608	0.7
134.52399	0.7
137.62358	0.7
139.94232	0.7
157.01437	1.1
174.38103	0.7
175.02502	3.3
205.07324	0.7
220.93898	0.7
231.05122	2.8
249.06145	22.6
250.06561	1.1
259.20743	0.9
267.07230	4.5
277.21716	74.8
278.22147	6.4
332.72144	0.6
509.27280	4.0
527.28607	100.0
528.29028	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	527.3375
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
53.58814	1.6
58.91539	1.7
59.01132	1.9
59.01382	26.2
70.23458	5.8
78.95913	6.6
79.80882	1.9
81.39867	2.0
98.19893	2.2
108.97440	1.8
133.02928	2.5
135.04539	3.6
136.30197	1.5
161.02429	5.9
193.90793	2.1
206.13618	1.6
277.21695	38.9
278.21979	2.3
291.23495	2.6
414.19699	2.0
445.23706	9.7
448.37662	1.8
467.31372	2.7
509.32782	8.8
510.33948	2.2
527.33801	100.0
528.16162	2.1
528.34064	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	527.198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99099	1.7
59.01389	11.3
60.99309	17.3
61.98805	2.3
63.41360	1.8
67.75184	1.6
68.10213	1.6
71.01390	4.1
75.80235	1.7
85.02991	1.7
87.00887	3.5
88.00420	4.7
88.98808	100.0
89.02444	56.0
89.99112	1.6
91.61150	1.7
92.23753	1.8
95.37340	1.6
99.92567	2.1
101.02402	2.0
109.69717	1.6
113.02462	2.1
116.92839	4.6
135.04504	3.6
137.02406	3.0
161.02385	2.5
175.03995	1.6
189.06654	3.7
202.60088	1.6
260.35355	1.8
310.10703	2.1
328.11835	3.5
365.18237	2.6
527.23914	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	527.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
57.03432	3.3
59.01383	34.5
61.98828	5.7
71.01384	67.8
71.31186	3.1
71.31515	3.8
72.99300	7.9
73.02951	19.6
75.00865	4.0
83.01392	4.1
83.13204	3.2
83.29182	2.4
83.29762	2.7
85.02958	24.5
87.00887	3.9
89.02451	26.1
95.01396	5.3
96.95998	8.1
97.02955	4.1
99.00890	7.5
99.92586	2.8
101.02443	54.2
109.02976	6.6
113.02454	24.2
115.92011	4.1
116.92857	6.7
119.03496	9.1
121.02953	4.3
123.04514	4.0
125.02493	4.4
127.00352	7.5
133.02922	12.3
135.04500	13.5
143.03427	6.4
143.10602	3.2
149.04485	2.7
151.03987	2.9
159.02904	3.1
161.02460	6.6
161.04558	28.4
167.02074	8.6
177.01917	5.9
179.03452	6.8
179.05490	3.4
197.04558	6.4
265.49924	2.8
265.53790	2.8
305.16006	39.3
323.09894	3.3
467.21353	100.0
468.21713	7.9
514.38898	3.3
527.23456	9.8
545.85333	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	527.2533
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
57.03440	0.7
57.35290	0.6
59.01373	3.8
63.96233	1.0
69.03452	0.8
69.31728	5.6
71.01050	0.8
71.01383	9.9
72.95656	0.6
72.99297	1.5
73.02938	1.6
75.00864	3.6
78.98599	6.2
79.95735	9.6
80.96517	60.6
84.00987	0.7
85.02966	7.5
87.00868	3.9
94.97543	0.9
94.98087	12.8
95.01350	1.0
96.95998	1.5
97.02920	1.2
98.20625	1.3
99.00893	2.9
99.97646	0.6
101.02422	2.1
106.98080	2.9
113.01814	0.6
113.02451	7.9
117.01864	1.1
122.97533	2.7
124.75271	0.6
125.02431	2.9
127.03994	1.1
128.66571	0.6
134.97614	4.7
136.99089	1.1
148.99127	5.0
149.66417	0.6
152.98624	5.9
164.50534	0.6
164.98628	11.5
175.02464	1.3
206.99551	1.8
212.53412	0.6
224.98653	0.9
225.00739	15.8
227.20068	2.6
249.06076	1.7
267.07101	1.8
277.21667	11.1
299.04254	2.7
527.25067	100.0
528.25385	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	527.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26949	0.2
50.70561	0.2
51.21382	0.2
59.01386	4.5
61.98826	0.7
65.91988	0.2
66.05495	0.2
69.50999	1.4
71.01394	0.9
72.99310	10.0
87.42458	0.2
89.03973	0.4
101.02430	0.2
105.03480	0.5
113.02460	0.3
115.01930	0.2
116.05077	2.3
117.03485	0.6
119.03777	0.4
119.04959	0.2
132.02191	2.3
133.02959	28.3
134.03377	0.8
135.03462	0.4
135.04527	6.5
141.04610	0.3
142.06624	10.0
143.06941	0.4
144.04605	0.3
145.02965	0.5
146.02437	1.2
147.03264	2.5
148.04045	1.1
149.02440	0.2
158.02470	0.6
159.03267	0.9
160.04076	0.6
161.02446	100.0
162.02802	4.1
162.05620	0.6
169.18260	0.2
174.05605	0.5
176.03568	1.0
178.05087	0.5
179.02202	0.5
179.03519	3.3
190.05075	0.2
218.04585	0.7
275.08234	0.7
276.09012	2.7
287.08215	0.5
288.08987	1.2
289.09818	1.3
291.11392	1.8
303.11438	0.4
308.07935	0.5
315.07864	0.3
319.10797	0.2
321.12454	0.5
333.08847	0.3
347.10443	0.8
350.09143	0.7
365.11411	16.7
366.11798	1.8
424.38309	0.2
485.31464	0.3
527.14270	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	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16729	0.3
57.03465	0.5
58.18272	0.3
59.01378	4.5
61.98828	2.2
63.96232	1.0
69.03478	0.4
71.01385	5.9
72.99301	1.5
73.02943	2.2
75.00871	8.5
78.98589	4.9
79.95262	0.6
79.95735	9.3
80.96519	54.0
81.03455	1.0
83.01369	0.6
83.05016	0.4
85.02953	2.4
87.00883	2.1
89.02414	0.6
93.03497	0.4
94.98090	11.5
95.01366	0.6
96.96003	1.1
97.02957	1.4
99.00893	0.9
99.04491	0.4
101.02446	2.7
106.98076	2.5
109.02959	0.6
113.02468	0.8
119.05023	1.3
120.05364	0.5
120.99619	0.4
122.97569	2.9
125.02451	2.2
127.04033	0.8
130.50978	0.3
133.02997	0.4
134.97597	3.9
135.04521	1.5
136.99133	1.2
145.02937	0.6
148.99147	5.1
152.98631	5.0
161.02429	1.2
161.04524	0.5
163.03993	1.0
164.98630	11.1
167.00165	0.6
206.99657	2.3
209.11816	2.9
225.00739	15.5
226.00983	0.3
299.04431	2.4
311.32983	0.4
365.19696	0.7
384.57718	0.4
459.23914	0.4
527.18054	100.0
528.18414	10.3
528.26538	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.1
61.98833	100.0
69.26807	0.4
69.64532	1.2
69.64946	2.4
71.01395	1.8
71.57949	0.4
76.03722	0.5
87.04517	38.3
101.02470	1.3
113.02436	0.6
117.03495	1.0
135.04561	2.4
145.02992	1.3
148.17389	0.6
159.06316	0.5
161.02397	2.7
179.03493	1.5
192.90001	0.6
217.72211	0.5
250.37311	0.7
268.03897	1.4
269.04532	5.3
474.51349	0.6
527.15948	0.9
551.38574	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	527.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31187	0.2
59.01381	2.2
64.59267	0.2
70.93565	0.5
72.99310	9.8
77.04002	0.2
85.98824	0.2
89.03986	0.3
99.46640	0.2
104.05182	0.2
105.03448	0.4
113.02485	0.2
116.05073	2.1
117.03475	0.2
119.03821	0.3
124.05261	0.2
131.03796	0.2
132.02191	1.9
133.02956	28.6
134.03279	0.8
135.03468	0.3
135.04521	5.6
136.03986	0.2
136.04916	0.3
142.06625	9.2
143.06998	0.4
144.04561	0.3
146.02444	1.1
147.03270	2.5
148.04018	1.4
154.05350	0.3
158.02487	0.5
159.03229	0.4
160.04063	0.5
161.02443	100.0
162.02788	4.3
162.05595	0.7
174.05591	0.5
176.03540	1.1
178.05103	0.6
179.02199	0.6
179.03496	3.0
180.03674	0.2
189.35478	0.2
218.04482	0.8
225.35301	0.2
247.06216	0.2
247.08931	0.2
271.57455	0.2
273.10263	0.2
275.08249	0.7
276.09021	2.8
277.09601	0.5
287.08325	0.7
288.09036	1.2
289.09677	1.4
291.11423	2.5
303.11307	0.4
308.08090	0.3
315.07706	0.2
321.12454	0.6
322.12650	0.2
333.09042	0.2
347.10406	0.9
350.09088	0.4
365.11404	15.3
366.11902	1.5
467.27704	0.4
527.14636	1.0
527.30096	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.9
60.01699	0.6
61.98831	100.0
69.66076	2.7
71.01387	2.6
73.02961	1.0
75.20857	0.4
85.02969	1.4
87.04515	25.9
89.02463	0.5
101.02457	1.4
113.02479	0.9
133.02980	0.5
135.04539	1.1
145.03021	0.7
152.46786	0.4
161.02489	1.1
161.04597	0.7
179.03510	1.0
307.17654	1.2
349.18466	0.5
373.29144	0.5
377.21744	2.5
401.28384	0.4
419.22885	1.5
439.32385	1.5
499.34695	1.7
526.32043	0.5
527.33966	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.6
60.52398	0.5
61.98832	100.0
69.67337	1.3
69.67751	1.9
70.48035	0.4
71.01367	1.4
72.99354	0.5
87.04514	23.4
88.73972	0.5
98.19861	0.8
101.02428	0.8
113.02459	0.7
116.92841	0.8
119.57974	0.4
133.02951	0.6
135.04559	1.4
145.03015	0.7
161.02478	1.6
179.03487	1.1
197.43214	0.4
229.05186	0.5
251.51805	0.4
301.85834	0.5
377.21979	0.9
385.78952	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	525.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54233	11.0
59.01386	100.0
60.78674	8.0
61.98822	24.2
66.64954	7.7
71.01358	14.6
71.64520	11.2
72.99300	9.4
74.72771	9.4
109.02951	23.7
121.52511	7.7
123.25687	8.1
124.84904	9.9
127.05143	8.8
128.03587	10.3
133.02908	17.0
134.18135	9.4
135.04507	39.3
136.07660	9.9
136.70801	9.6
143.04642	34.2
145.02963	30.7
151.04074	9.9
153.01929	34.2
161.02507	47.6
163.03989	18.9
179.03494	15.1
192.06679	10.7
224.33450	8.3
242.61131	9.0
266.15244	9.7
306.07602	27.9
307.08124	14.8
329.23148	9.1
362.09631	9.6
435.54324	9.2
451.11313	9.6
507.19720	20.1
525.33917	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	525.3223
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
55.18470	0.3
56.86092	0.2
59.01381	65.2
59.85497	0.2
60.01733	0.4
72.99325	0.3
73.02965	0.8
80.50984	0.2
133.03024	0.3
161.02492	1.3
179.03413	0.4
187.95972	0.3
202.29811	0.3
210.09068	0.3
229.55666	0.3
285.16443	0.4
294.81848	0.3
342.57098	0.3
349.17523	0.3
357.25977	0.4
371.23743	1.0
371.27695	0.4
373.28934	1.1
385.01285	0.3
385.29044	1.4
389.28796	0.6
401.28442	3.3
402.28784	0.6
403.30276	1.0
405.28119	0.7
417.28113	0.8
435.28873	2.0
483.31183	1.1
525.32202	100.0
526.32532	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	526.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.2
117.03465	29.2
119.05027	14.9
133.03011	1.2
133.49876	1.1
135.04523	13.4
136.67952	1.0
145.02951	100.0
146.03300	5.1
161.02443	3.4
163.04007	26.3
164.04305	1.9
179.03462	15.8
201.04349	1.0
224.24768	1.0
254.57159	1.0
267.06689	5.7
311.05487	3.6
349.09225	1.7
482.14523	20.4
483.15115	2.0
538.79791	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	526.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
59.05454	0.8
64.19966	0.7
64.76139	0.8
70.64921	2.5
71.03306	0.7
97.98150	0.9
105.38493	0.8
114.26426	0.9
117.03468	29.8
119.05035	21.4
121.24064	0.8
143.05031	3.0
145.02959	100.0
146.03285	3.8
163.02704	1.7
163.04021	29.4
166.08887	0.8
178.74300	0.8
185.10158	0.8
187.03995	4.2
199.05775	0.7
221.63139	0.9
349.09241	1.1
482.14542	18.3
483.15021	2.6
535.59918	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	526.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80696	1.3
57.26694	1.2
59.01383	12.3
61.98825	2.5
68.99815	1.3
69.31500	12.7
71.01402	2.2
74.15971	1.2
101.02436	1.7
117.03479	30.0
118.03809	2.8
119.01356	1.2
119.05042	8.8
120.05364	2.0
120.29453	1.1
121.03017	1.4
126.38909	1.6
135.04514	3.2
143.05034	7.8
144.05365	3.7
145.02962	100.0
146.03279	13.7
147.03505	3.4
152.01132	1.7
161.02437	1.8
162.02806	1.4
163.04005	11.3
164.04333	1.9
177.07167	1.4
179.03583	1.4
187.03992	6.0
188.04361	4.5
196.83876	1.3
225.15118	1.2
359.70508	1.5
419.34708	1.2
482.14587	12.9
523.18353	1.4
526.16077	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	524.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07111	0.2
58.32153	0.2
59.01382	8.8
68.92002	0.2
68.95145	0.2
68.99811	1.3
70.39252	0.2
71.01379	0.7
71.41240	0.4
72.99290	0.2
73.84526	0.2
81.36678	0.2
85.02921	0.4
93.03430	0.3
109.02963	0.3
113.02461	0.4
115.05534	1.1
117.03470	31.1
118.03822	1.2
119.05027	15.1
120.05370	0.4
121.02960	0.7
131.03752	0.4
133.02962	0.3
135.04504	0.7
136.04823	0.3
143.05028	15.2
144.05396	0.6
145.02954	100.0
146.03296	3.6
147.04515	1.9
157.06653	0.2
158.06096	0.6
161.02480	0.4
161.04637	0.5
161.06073	1.9
162.03085	0.4
163.04018	15.0
164.04314	0.6
187.04013	18.4
188.04276	1.1
203.07166	0.4
205.05031	1.0
229.05034	0.4
276.08801	0.7
333.10065	0.4
333.99567	0.3
336.10880	0.5
357.59641	0.2
391.10516	0.3
422.12387	0.5
464.13556	3.9
465.13934	0.4
482.14502	1.4
524.15686	5.8
525.15948	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	524.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99973	0.6
57.35789	0.5
59.01383	3.4
61.98832	40.1
69.68330	4.3
71.01366	1.3
72.99302	1.2
81.41628	0.6
88.00587	0.6
89.02455	1.2
93.03447	1.3
94.06629	2.7
101.02400	1.0
104.05064	0.9
106.06654	0.7
107.03773	4.8
108.02151	1.6
109.02949	1.8
109.27786	0.7
117.03474	1.1
119.04994	1.2
120.04554	0.9
122.06124	29.4
124.07689	1.5
132.04573	6.7
133.02931	0.9
134.06143	4.1
135.04539	4.0
135.06880	0.7
137.02393	1.8
139.02794	1.1
144.04463	0.7
145.02934	2.5
147.03249	0.9
150.05573	1.7
152.01178	1.9
152.07175	63.7
153.01794	0.9
153.07510	2.1
158.02449	1.4
160.04041	3.2
161.02470	3.3
162.05606	0.8
163.04039	0.9
166.05109	1.3
172.03981	0.7
176.03531	2.8
176.07143	0.9
179.03493	1.6
190.05107	7.6
192.06561	0.8
211.12392	1.9
215.11853	2.1
216.52988	0.6
223.08763	4.2
224.09480	4.6
227.08179	1.3
227.11902	0.7
236.09502	0.7
237.10287	1.0
238.10939	0.8
239.08270	0.9
239.11896	17.6
240.10254	1.9
241.09875	2.5
251.11839	3.1
253.06253	3.5
255.07677	1.5
255.11369	1.5
265.09811	1.9
267.07727	2.4
267.11316	2.0
268.08606	4.1
268.11642	0.7
276.53171	0.7
279.07724	1.5
280.08493	2.3
281.09305	1.3
282.10071	0.7
283.10864	44.3
284.11230	2.9
293.09366	1.1
295.10895	8.7
296.11185	1.1
309.08566	0.8
312.11163	3.0
323.10464	0.7
327.13519	0.7
341.11346	2.4
348.13522	1.1
355.12979	1.5
356.95743	0.7
387.16965	1.0
404.19968	0.9
406.17960	0.7
420.19623	3.1
448.18781	46.8
449.19061	5.3
464.18423	1.1
474.16507	2.0
480.21204	1.8
492.17770	100.0
493.18069	11.9
524.20715	12.1
525.21075	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	525.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79493	46.9
52.74664	41.7
61.98838	100.0
64.76430	53.8
65.28001	39.8
66.21565	37.5
70.95576	42.1
71.29927	82.2
84.81726	40.1
94.55000	38.9
106.57130	37.8
113.47122	49.9
121.00770	46.0
161.02379	50.5
262.28479	47.4
386.53351	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	523.32
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09713	8.7
69.40964	89.5
76.42378	8.2
77.05804	8.9
78.95867	11.2
80.72276	9.1
93.93056	10.1
104.52445	9.8
211.09599	9.9
289.40198	10.5
456.76578	9.5
490.48087	11.8
497.71182	11.0
523.31976	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	524.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.4
61.98837	5.2
70.35996	3.3
70.89512	0.8
71.01404	4.2
72.99301	3.4
73.02934	2.0
75.00852	1.0
83.01355	1.2
84.21947	0.8
84.78513	0.9
85.02940	3.9
88.98794	2.0
89.02454	1.7
93.03446	1.3
94.03017	0.9
101.02435	2.2
107.34570	0.9
107.99550	1.0
108.02187	1.5
109.02930	1.8
113.02440	3.9
119.04995	1.2
123.04549	1.9
128.07159	2.0
133.02982	7.5
135.04526	6.1
136.04848	1.4
137.02434	2.4
151.00369	3.4
151.03999	1.2
161.02466	6.2
162.02827	2.1
165.01884	4.2
167.03391	1.1
172.06178	1.6
175.03963	2.1
179.03471	3.4
189.03922	0.9
197.04501	1.8
198.04898	1.9
217.04988	1.3
248.67470	1.1
274.09238	0.9
285.04041	100.0
286.04388	8.4
334.10925	1.3
357.06076	1.5
361.10251	1.4
435.09464	1.4
461.07272	34.6
462.07382	2.6
523.20294	1.2
523.27667	3.8
524.27954	4.1
525.15692	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	524.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01472	0.3
52.92255	0.4
59.01383	0.6
61.98834	100.0
69.50878	2.8
71.01402	0.7
71.87255	0.4
72.00910	0.4
74.02479	0.4
89.02461	0.9
103.92060	0.9
108.02175	0.8
116.05085	1.5
116.07165	0.6
116.39214	0.3
119.03528	0.9
123.04539	0.9
137.02524	0.8
140.07178	2.9
142.06577	0.6
152.01161	1.8
156.06900	0.6
158.08229	2.5
160.85365	0.4
163.23167	0.4
167.03503	5.9
200.09354	0.5
203.08266	3.6
204.08685	0.4
221.55875	0.4
258.50739	0.4
280.92618	0.4
293.08826	0.8
319.99808	1.0
461.13281	0.9
462.12967	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	523.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12876	0.6
55.01882	0.7
57.03444	0.6
58.00569	0.7
59.01380	100.0
60.01705	0.8
60.08726	0.7
61.98829	3.0
69.03446	1.0
69.32214	5.7
71.01384	16.7
71.01760	1.1
71.12887	0.6
72.38016	0.6
72.99313	3.8
73.02947	16.9
73.03336	1.1
83.01385	5.2
85.02956	3.9
88.88071	0.6
89.02445	5.5
89.18392	0.5
95.01392	1.1
97.02946	0.7
97.89413	0.6
99.00900	0.9
101.02443	16.3
101.03072	1.0
113.02462	8.2
119.03542	2.6
131.03503	1.2
131.08681	0.7
133.02966	2.4
134.07394	0.8
135.04532	3.0
137.02457	0.6
143.03543	1.4
145.03006	1.2
147.08188	0.8
149.04572	1.1
149.09715	11.9
151.11304	0.9
161.02475	7.6
161.04555	4.4
167.10835	1.4
179.03499	1.7
189.09341	0.6
271.20532	3.9
283.20764	1.9
289.21832	0.8
301.21747	2.8
342.01944	0.9
361.16714	2.3
369.11612	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	523.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44931	12.9
102.88782	6.8
103.13425	8.8
250.17639	6.7
396.30841	7.1
415.46457	6.6
415.82578	7.9
468.20685	7.2
487.34277	100.0
488.34854	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	523.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
86.29823	3.6
161.02400	4.1
162.87434	4.1
194.20006	4.1
294.34668	4.7
487.34344	100.0
488.34399	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	523.2188
Annotation	Mascaroside
Peak:m/z	Relative Intensity
52.29887	0.7
55.01811	2.2
55.02054	0.8
57.03370	2.0
58.00541	0.8
59.01312	29.4
59.01649	3.2
61.98763	9.5
71.01309	19.4
72.99239	2.8
72.99615	0.8
73.02868	6.2
78.34869	0.7
81.03423	1.3
83.01395	4.4
83.04973	0.9
84.28565	0.7
84.65208	0.6
85.02945	10.0
87.00793	1.8
88.98777	1.5
89.02455	9.6
93.03372	2.7
95.01313	2.1
95.04949	2.1
96.95943	2.1
98.19833	1.3
99.00894	3.1
101.02444	13.9
108.02082	1.3
109.02966	5.2
109.06554	0.7
110.08083	0.6
111.04421	0.8
113.02441	7.4
113.98943	0.7
119.03484	3.7
119.04944	0.8
121.02952	14.5
122.03751	11.9
123.00793	2.5
123.04545	3.9
124.01661	18.0
129.01857	1.5
129.03436	1.0
133.02835	0.9
134.03691	0.9
135.04530	10.1
135.08054	2.5
136.01563	0.9
137.02475	3.5
137.03290	1.0
138.03146	0.9
139.03049	0.9
139.04008	12.4
141.05507	1.5
145.02911	0.8
147.04517	7.4
148.05116	0.8
149.06010	2.0
150.03168	1.5
153.01901	1.0
154.02629	1.3
159.02994	0.9
161.02390	3.4
161.04453	2.3
161.05984	3.4
162.06763	1.1
163.03987	1.3
165.05563	27.2
175.07602	1.4
177.09258	3.5
177.10434	0.7
179.03529	6.6
179.05698	0.8
179.07129	10.0
190.06206	0.7
191.07014	2.6
195.10223	6.3
197.04402	1.9
209.08055	0.6
221.08153	1.5
223.09778	1.3
239.09167	2.4
283.58890	0.7
298.12067	0.8
310.10837	1.1
311.31985	0.7
313.14404	2.2
315.12387	2.6
316.12842	1.0
328.13165	1.9
329.13806	0.9
343.15485	5.1
346.14252	9.3
347.14783	2.5
361.16559	96.9
362.17004	9.7
403.17593	0.7
461.10406	0.8
479.24838	1.3
523.21985	100.0
524.22418	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	523.184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90726	0.7
59.01379	11.1
61.98838	4.5
70.80094	1.6
71.01385	6.2
72.99308	2.2
73.02953	2.7
78.98595	1.5
79.95731	3.2
80.96519	20.2
81.03458	1.5
83.01369	1.0
85.02942	4.4
87.04504	1.1
93.03435	1.0
94.57697	0.8
94.98089	5.4
95.01363	1.1
99.00859	1.1
101.02421	1.9
106.98070	1.3
108.02176	51.7
109.02962	29.3
110.03275	0.9
113.02435	1.1
117.03449	1.6
119.05011	1.7
121.02942	1.1
122.06103	2.0
123.00887	1.7
123.04567	1.8
125.02451	1.0
133.02954	5.2
134.03688	1.6
135.04527	20.0
136.04831	1.5
137.02472	2.0
145.02943	4.9
147.24124	0.8
148.99086	2.1
149.02444	1.0
151.03986	0.9
152.01157	44.5
152.07208	0.8
152.98619	1.6
153.01947	16.4
154.02281	0.9
161.02455	14.9
162.02795	4.1
163.02798	1.0
163.04031	1.8
164.98624	3.0
179.03499	17.3
180.03801	1.6
181.12341	2.9
197.04556	3.1
200.78438	0.8
208.00931	0.8
210.37102	0.8
225.00711	4.5
225.11293	1.8
229.20613	1.0
299.04584	1.5
311.05658	1.8
327.21515	1.2
359.07861	1.4
360.07904	1.7
361.08270	2.6
361.29492	1.1
434.98761	0.8
462.31216	0.9
466.80539	0.8
479.18985	3.4
505.17130	3.4
523.18286	100.0
524.18616	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	523.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61427	0.5
59.01381	14.9
61.98833	5.9
69.48044	3.2
69.48448	1.3
71.01391	1.6
72.99287	0.7
73.02962	0.8
80.63588	0.6
101.02444	0.8
101.09737	0.6
105.03465	0.6
107.60975	0.5
109.02951	2.3
113.02486	0.8
113.14519	0.6
117.03462	1.1
119.68253	0.5
121.02935	0.9
123.04539	1.1
127.42965	0.5
132.02184	2.4
133.02957	46.6
134.03357	0.8
135.04494	3.4
135.70160	0.6
145.02962	2.1
146.03748	8.9
147.04501	1.7
149.02452	6.7
149.06099	1.7
150.03227	12.8
150.04462	0.7
151.03828	0.5
158.03810	0.7
159.04480	3.5
159.41772	0.5
160.05296	0.9
161.02441	96.5
162.02783	4.6
163.04057	0.7
172.05299	1.8
173.06081	1.5
174.03217	19.6
174.06865	1.7
175.03969	5.3
176.04776	1.8
179.03487	1.6
186.06783	1.3
187.04044	0.8
188.04771	1.9
191.03543	1.7
196.05331	0.7
197.06107	0.6
200.04733	3.9
201.05389	0.8
202.06410	1.2
205.04922	0.6
211.13423	2.2
215.07111	1.2
218.05826	1.6
253.12439	0.7
255.13873	2.6
269.11755	1.0
271.13376	12.4
271.16306	0.7
272.13794	1.0
281.11871	1.0
283.13348	4.6
287.13062	1.0
289.14478	5.4
292.07504	1.0
297.15027	1.4
299.12881	9.3
301.14423	6.8
305.13745	0.7
307.13239	0.6
312.06284	1.6
313.14511	1.5
317.13919	25.4
318.14340	2.0
319.15479	8.8
325.14410	14.9
326.14813	1.1
331.15649	0.9
343.15500	17.9
361.16544	100.0
362.16852	8.6
369.17120	0.7
435.18161	1.6
478.29657	0.8
523.19788	7.9
523.29181	1.1
524.19934	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	523.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01133	0.8
59.01383	10.4
60.01710	0.8
61.98833	13.9
66.10035	0.6
71.01369	1.0
71.42281	1.4
72.99305	1.7
73.02984	0.7
73.19220	0.7
77.61449	0.6
78.95885	0.9
83.00027	0.7
85.02979	0.9
89.02431	0.9
93.03436	2.0
94.06624	4.6
96.26279	0.7
101.02433	1.7
106.06603	0.7
107.03773	9.4
108.02206	1.1
108.04558	2.5
109.02945	1.4
110.56992	0.8
113.02474	0.6
122.06126	47.1
123.04556	1.4
123.06499	1.2
124.07653	1.2
133.02980	3.3
134.03702	0.7
134.06177	3.9
135.04526	13.4
136.04895	0.9
137.02477	4.0
139.02730	2.3
145.02963	1.5
145.21852	0.7
149.02458	1.1
150.05573	2.4
151.04062	0.8
152.07172	81.9
153.01955	1.2
153.07492	2.0
161.02452	10.7
162.02779	1.2
165.01930	0.8
175.04025	1.1
179.03481	10.2
190.05098	0.7
194.09752	2.8
195.06836	1.6
196.07498	0.9
197.04556	1.8
209.08385	0.8
210.09245	3.7
222.05684	1.2
222.09381	1.0
223.06366	9.8
223.08339	1.0
224.06839	0.9
226.05151	1.1
226.08473	0.7
236.07123	1.9
238.05128	0.9
238.08710	13.3
239.05881	1.3
240.06668	1.3
240.10309	1.9
242.08171	0.9
250.08806	1.9
254.08168	3.2
255.09073	1.0
264.06839	1.2
266.08167	1.3
267.05316	1.9
268.09845	1.7
270.08469	1.2
270.11377	21.8
271.11597	1.9
282.07639	7.9
282.10593	1.2
294.07840	2.3
309.20636	0.8
311.05457	1.5
314.10382	6.4
326.10034	0.8
329.13129	1.0
345.16098	1.0
357.12549	1.3
361.15530	0.9
373.15781	0.9
375.17197	2.6
391.16714	1.2
403.16553	3.7
407.19614	3.4
435.19266	29.1
436.19476	2.9
447.15433	1.8
451.18967	1.3
457.86093	0.7
479.18384	18.5
480.18326	2.5
495.17780	1.9
505.16141	3.1
523.17224	100.0
524.17462	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	523.1841
Annotation	Verbenabraside A
Peak:m/z	Relative Intensity
57.03453	1.1
59.01380	8.2
59.60020	0.5
61.98829	3.4
63.48949	0.5
68.99567	1.0
69.03457	0.6
71.01381	4.9
71.64583	1.0
72.52046	0.6
72.99308	3.0
73.02940	2.0
78.98588	1.6
79.95732	3.5
80.96516	19.3
81.03452	1.1
83.01403	0.8
85.02951	3.1
87.00892	1.3
89.02482	0.6
93.03473	0.7
94.98090	4.6
95.01375	2.4
97.02952	0.8
99.00861	1.2
101.02440	2.5
106.98067	0.9
108.02177	50.6
109.02967	28.7
109.06561	0.7
110.03302	1.1
113.02426	1.5
117.03525	1.3
119.05019	1.4
121.02936	0.7
122.06136	1.6
122.97552	1.0
123.00871	1.4
123.04528	3.4
125.02422	1.1
127.17093	0.7
133.02977	3.8
134.03349	1.2
134.06137	0.8
134.97572	1.3
135.00890	0.7
135.04532	18.4
136.04842	1.5
137.02423	2.4
145.02957	4.4
145.73079	0.6
148.99142	2.0
149.02446	1.1
151.04016	1.7
152.01154	43.0
152.07169	1.0
152.98669	1.4
153.01953	15.0
154.02370	0.8
161.02441	17.8
162.02806	4.7
163.02921	1.8
163.04019	2.4
164.98679	3.3
164.99876	0.7
179.03502	15.3
179.05058	0.8
180.03844	1.4
181.12299	3.4
197.04503	2.8
198.04913	0.7
199.04865	0.7
206.99542	0.7
225.00743	4.3
225.11330	1.9
255.02945	1.0
257.90045	0.6
267.06537	0.9
299.04404	0.7
311.05627	1.1
327.21619	0.8
359.07629	1.6
360.07953	2.1
361.08185	2.4
361.29517	1.0
372.09888	0.7
447.17432	0.9
463.20654	1.5
479.19034	3.8
480.20563	0.8
505.17258	3.2
523.18274	100.0
524.18658	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	523.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	5.3
60.99313	4.1
61.98820	23.6
64.12815	3.6
71.01361	3.7
71.62702	5.8
72.99285	3.9
75.31520	4.0
88.98812	29.0
89.02431	5.3
90.27888	4.3
96.94052	3.2
99.88808	3.5
113.02449	8.5
117.03459	14.3
119.05028	24.6
127.62638	3.8
133.06638	4.2
135.04523	5.9
137.02328	4.5
145.02948	92.3
146.03284	4.8
159.04483	6.1
161.04585	4.1
161.06062	8.3
163.04004	33.2
164.07193	7.1
181.05154	3.7
187.04012	69.8
205.04984	11.7
265.07257	8.0
274.02042	3.9
307.08246	8.0
325.05402	6.5
325.09256	100.0
326.09705	8.3
487.14307	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	523.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14735	1.9
59.01376	16.8
61.46184	1.9
61.98827	12.1
66.71609	1.9
70.25524	7.8
71.01390	15.7
72.99300	2.9
73.02949	5.9
80.06313	1.9
85.02924	5.1
87.00853	2.6
89.02451	12.3
90.96549	2.1
93.03477	2.2
95.01363	2.6
98.19888	2.1
101.02454	16.6
105.97905	2.0
113.02445	13.6
117.03473	16.2
119.05024	70.6
120.05344	2.7
121.02962	7.3
123.04483	2.9
123.99341	1.8
125.02402	3.5
132.05800	2.4
133.06567	8.0
135.04485	7.2
137.02426	3.1
145.02956	85.6
146.03268	2.8
159.04486	3.0
161.04558	13.4
161.06068	14.9
163.04002	100.0
164.04379	3.1
165.01924	6.3
178.94283	2.0
179.05637	12.2
187.03995	19.8
191.07057	3.1
205.05048	24.8
217.05070	6.9
235.06081	12.7
242.02197	4.0
265.07266	5.0
291.49533	2.2
292.05624	2.1
323.09698	2.7
325.09265	33.5
326.09735	2.9
367.10260	8.0
427.12366	6.0
487.14572	45.6
488.14804	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	522.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84930	0.6
59.01382	38.8
60.01720	0.6
61.98833	100.0
71.01401	2.5
72.99314	2.0
73.02950	0.8
75.52618	0.6
85.02955	2.0
86.49017	0.5
89.02455	0.7
98.19724	1.0
101.02476	1.7
101.87371	0.5
108.02198	1.1
109.03008	0.9
113.02451	1.5
119.67503	0.5
127.09172	0.5
133.02982	1.1
134.03801	0.6
134.06126	0.9
135.04524	6.7
137.02409	1.1
145.02991	0.8
149.02486	1.8
149.06151	0.7
152.01173	1.1
153.01933	0.8
159.03105	0.6
161.02449	7.2
161.04593	1.4
162.02800	1.0
175.03986	0.8
179.03487	3.5
188.59859	0.5
197.04599	1.4
210.07817	0.7
267.06641	0.9
355.21771	0.6
360.11047	1.8
373.22372	1.7
378.23734	0.9
415.23474	2.8
457.47055	0.6
478.80698	0.6
522.31750	3.8
523.35077	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	523.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02364	1.2
59.01374	5.5
61.98826	8.1
68.74129	1.2
71.01366	3.5
71.32674	2.3
71.32994	1.5
71.67453	1.4
72.99299	1.5
77.03976	1.5
83.01408	1.9
84.79350	1.2
85.02974	1.8
89.02472	2.3
93.03449	2.6
93.37458	1.1
96.95992	2.8
97.02966	2.6
99.92636	1.3
101.02422	3.0
108.02175	1.8
109.02956	63.2
116.92794	2.1
117.03448	4.5
119.03522	2.3
119.05039	7.4
121.02934	11.6
135.04550	6.6
137.02448	24.4
145.02963	21.0
147.04539	3.2
161.02426	3.2
163.04047	11.7
165.01936	100.0
166.02293	3.0
171.04517	1.9
177.02039	1.5
179.03514	2.6
187.04033	1.7
189.05562	4.8
197.04555	1.8
215.03471	2.4
229.04993	1.9
231.06616	1.7
237.52652	1.3
256.07352	1.2
257.04550	7.4
265.07187	1.4
271.09854	2.2
275.05621	49.0
276.05991	3.8
301.16861	1.3
355.71890	1.3
479.11957	26.7
480.12256	4.7
487.14514	15.5
488.14932	2.1
523.20282	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	522.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74611	1.2
58.15230	1.2
59.01378	57.8
59.24918	1.2
61.98832	100.0
71.01375	3.8
71.39575	2.0
72.99303	3.0
73.02946	1.6
80.98202	1.3
85.02934	1.2
101.02451	1.6
109.02964	4.1
123.33121	1.3
135.04492	3.7
136.08815	1.5
137.02406	2.6
145.02994	1.9
161.02420	4.9
179.03560	2.3
180.56091	1.2
197.04655	2.2
198.43315	1.5
359.07355	2.7
360.07999	7.7
363.12442	1.4
373.22266	3.6
415.23352	1.8
522.34460	2.9
531.87787	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	522.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83421	0.5
59.01381	35.7
59.50039	0.4
60.01690	0.5
61.98832	100.0
62.41901	0.5
66.91656	0.5
69.50623	3.7
69.51034	0.9
71.01403	2.1
71.33205	0.4
72.99313	4.2
73.02933	0.9
83.01380	0.6
85.02964	1.3
93.03453	0.8
93.19851	0.4
98.20621	0.9
101.02431	2.4
107.16621	0.5
108.09807	0.4
109.02956	5.8
110.03317	1.7
113.02478	1.0
116.13776	0.5
119.08665	0.5
122.98920	0.5
133.02975	0.9
134.06093	0.7
135.00917	0.5
135.04521	4.7
136.04865	2.5
137.02493	1.8
145.02986	2.0
146.03336	0.7
148.04837	0.6
152.07132	0.6
159.04520	0.6
161.02434	4.6
161.04625	0.9
161.06055	0.8
162.02792	1.2
163.04031	1.4
179.03540	2.4
180.03857	0.7
187.04031	1.5
188.04419	0.9
190.05078	0.5
193.42572	0.5
197.04582	1.5
198.04932	0.9
244.06987	0.7
254.05617	0.6
268.07031	0.6
281.04590	1.7
282.05023	1.9
296.06458	0.8
298.08041	0.9
314.07581	0.9
323.05777	1.3
324.05811	2.4
333.18402	0.6
339.05222	1.0
340.05435	2.7
341.06543	1.0
342.07104	1.2
359.07657	4.6
360.04022	0.4
360.08081	11.8
360.12219	1.0
361.08447	1.2
365.24225	0.6
373.22180	3.7
393.41357	0.5
402.93130	0.6
415.23657	1.6
462.20355	1.2
462.61151	0.6
487.13019	0.6
522.11572	1.5
522.20190	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	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54493	0.7
50.66996	0.6
53.02930	0.7
56.51616	0.6
59.01379	47.1
59.06548	0.6
60.01696	1.3
61.98831	100.0
69.03449	0.7
71.01384	5.3
72.99319	2.1
73.24535	0.6
78.98611	0.9
79.95747	2.0
80.96517	8.8
82.12318	0.6
83.01395	0.7
85.02937	1.3
87.00917	1.1
89.02438	1.0
94.98099	2.3
97.02917	0.8
99.00875	0.7
101.02451	2.6
108.02202	1.2
109.02953	1.8
113.02454	2.3
121.02973	0.6
121.28773	0.6
122.06158	1.6
123.04540	1.7
133.02940	4.5
134.03758	1.1
134.06143	1.2
134.97650	1.1
135.04520	11.3
136.04851	1.0
148.99202	1.1
149.02437	1.8
152.07181	1.6
161.02449	12.2
161.04639	0.8
162.02829	3.2
163.04097	0.7
164.98672	1.9
171.02126	0.6
177.01903	1.0
179.03496	8.2
188.04440	0.6
193.05092	1.0
197.04567	2.6
225.00760	1.8
237.68277	0.7
242.08165	1.2
281.09201	1.5
311.05820	1.3
355.21313	1.1
359.07706	1.5
360.07867	1.2
373.22342	2.7
415.23303	3.2
426.62170	0.7
428.16403	3.0
446.17410	2.3
462.31616	2.1
472.15100	1.3
490.16656	1.0
521.33667	1.4
522.20215	1.1
522.34241	2.9
523.18530	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	522.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.4
61.98829	100.0
69.73144	2.9
69.73557	2.1
71.01377	2.5
72.99301	1.9
73.02919	1.0
80.53607	0.9
85.02964	1.4
97.34025	1.0
101.02427	2.0
103.28000	0.8
105.65757	0.9
113.02427	1.7
123.04480	1.9
133.02974	4.0
135.04539	6.2
143.56883	1.0
161.02444	10.1
161.04565	2.0
162.02719	3.2
179.03485	3.8
197.04483	1.4
311.05447	0.9
317.12341	0.9
360.08145	1.9
373.22238	4.0
395.86029	0.8
415.23370	4.8
462.31183	1.0
522.22015	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	521.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93317	11.5
56.79036	14.0
59.01376	40.4
59.38158	15.2
61.98822	33.9
63.64321	17.0
63.84693	14.5
68.72846	14.7
74.50835	13.6
74.57930	11.7
98.19719	21.1
117.03448	23.1
133.02928	39.9
135.04539	28.5
145.02966	49.9
145.44632	13.5
161.02414	100.0
178.00902	13.4
249.18539	39.4
332.28552	16.3
439.31979	17.8
473.32870	18.5
485.32663	30.9
521.24182	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	521.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42147	1.9
59.01378	24.7
61.98824	2.5
71.01377	1.9
98.20645	4.3
117.03470	34.6
119.05023	12.4
121.02967	6.6
122.05982	1.8
133.02937	3.8
135.04536	2.9
143.05009	6.4
145.02956	100.0
146.03264	5.0
151.86884	2.0
161.02451	9.0
162.03271	2.0
163.03975	18.9
173.07813	2.0
187.04062	13.7
198.32649	2.0
357.06158	3.2
461.21609	2.2
467.31509	3.7
485.32721	69.8
486.32825	11.2
521.23462	20.6
522.23492	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	521.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	58.1
61.98814	19.7
71.62362	25.1
78.95915	41.0
99.90891	20.2
119.04990	23.1
133.02951	47.5
135.04538	42.1
145.02943	46.0
152.99545	53.3
161.02487	100.0
227.03130	21.0
293.21179	85.3
521.23737	96.4
521.31793	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	522.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01380	67.4
61.98831	100.0
70.10167	1.8
71.01382	13.5
71.64603	1.6
72.99308	6.9
73.02943	2.6
74.71935	1.5
75.00853	3.3
77.45719	1.3
78.95918	2.5
83.01395	2.0
85.02960	19.5
86.03262	1.7
88.98794	1.4
89.02445	6.1
95.01395	6.5
99.00883	6.8
101.02451	5.7
103.00405	2.0
108.02183	2.0
109.02984	10.2
113.02449	41.8
117.01976	1.4
121.02986	2.4
122.06138	3.7
123.04501	3.1
126.56367	1.4
129.01956	2.4
133.02957	7.7
134.03716	1.9
135.04527	53.5
136.04840	3.3
137.02440	6.4
138.05615	2.6
143.03441	1.9
145.02945	3.6
145.52945	1.6
149.02475	3.5
151.03922	2.0
152.01111	2.6
152.07161	5.0
153.01906	4.6
154.02362	1.5
159.04417	1.8
161.02441	21.3
161.04556	2.6
162.02779	3.2
163.04030	2.8
175.02515	16.2
175.03947	2.7
177.09268	2.9
179.03502	55.7
188.23247	1.7
197.04518	4.7
229.05067	1.8
257.12842	3.6
267.06586	2.5
268.03763	39.8
269.04117	2.7
281.09311	5.6
283.06113	56.0
284.06369	4.6
301.12000	3.3
311.05759	4.3
329.06879	1.7
358.06683	1.9
359.07538	2.2
360.07950	2.1
374.17279	1.7
374.22366	2.1
446.17291	4.0
459.09518	11.5
461.31180	6.0
462.31546	5.1
479.31769	2.1
490.16882	2.2
521.33197	3.7
522.18994	3.8
522.33533	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	521.2382
Annotation	Trilobolide
Peak:m/z	Relative Intensity
55.20297	0.1
57.41602	0.1
59.01381	9.2
61.98820	0.4
66.71822	0.1
68.99812	0.3
69.54548	1.2
71.01370	0.6
72.99300	0.2
73.02947	0.3
78.95905	0.6
83.01394	0.3
85.02943	0.3
89.03970	0.1
93.03463	0.3
94.92575	0.2
95.01373	0.1
101.02425	0.3
115.05506	0.2
117.03466	34.7
118.03790	0.9
119.05024	6.8
120.05360	0.2
121.02962	0.8
123.04504	0.3
133.02948	0.7
135.04503	0.4
143.05026	1.9
145.02950	100.0
146.03293	3.6
152.99583	0.4
159.04448	0.2
161.02463	1.2
162.03191	0.2
163.04008	5.9
164.04283	0.2
171.10234	0.3
179.03508	0.2
181.60692	0.1
187.04004	3.2
203.38800	0.2
244.75386	0.1
275.20169	0.2
285.18457	0.4
291.17935	0.2
293.21280	0.5
295.22781	0.3
296.23093	0.5
359.07297	0.2
401.19431	0.4
461.21796	7.3
462.16586	0.2
462.21835	0.9
479.22650	0.5
485.32669	0.6
487.33188	0.3
503.33466	0.2
505.21835	0.2
521.23901	32.9
522.24249	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	521.2389
Annotation	Michaolide H
Peak:m/z	Relative Intensity
56.99286	0.3
59.01380	24.8
60.01714	0.6
61.98810	0.3
68.14685	0.3
68.25809	0.3
68.99816	3.9
71.01374	0.9
73.02950	0.5
83.01405	0.3
85.02973	0.6
93.03440	0.6
98.20603	0.7
99.00890	0.3
101.02448	0.6
115.05542	1.2
117.03466	33.2
118.03826	1.0
119.05028	23.4
121.02963	1.0
133.02959	0.8
135.04533	0.6
143.05025	24.2
144.05342	0.9
145.02951	100.0
146.03288	3.8
152.41754	0.3
159.04466	0.5
161.02435	1.0
161.04808	0.3
161.06030	1.4
162.03206	1.0
163.04010	20.3
164.04362	0.8
187.03999	47.0
188.04323	1.6
203.07118	2.2
205.05040	0.5
229.05130	1.1
293.21164	0.6
333.19171	0.4
352.00772	0.3
397.46429	0.3
401.19666	2.4
419.20715	1.6
437.21729	0.7
461.21838	6.3
462.22000	0.9
479.22870	3.2
480.23422	0.4
521.23895	26.0
522.24133	3.3
537.54181	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	521.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60388	0.7
57.03444	1.4
59.01384	26.9
61.98831	7.3
71.01381	13.3
72.99312	45.1
73.02944	6.2
74.02489	4.4
75.00883	2.3
83.01411	2.1
83.05058	1.0
85.02959	3.8
87.00866	1.8
88.98828	1.7
89.02454	3.9
93.03467	3.2
99.08171	1.2
101.02457	8.0
103.88462	0.8
108.02158	1.1
109.02960	23.9
111.00896	0.9
113.02458	3.3
117.03467	1.4
119.03492	1.9
119.05029	3.8
120.05364	1.6
121.02960	2.3
122.03737	2.7
122.06069	1.2
123.04521	9.0
133.02953	10.2
134.03732	2.7
135.04530	33.7
137.02481	7.9
145.02942	7.8
147.04514	1.4
149.06055	2.2
150.03185	1.0
151.04005	2.7
152.07185	1.6
153.01967	1.5
157.01414	1.6
159.04526	1.4
161.02458	43.9
161.06076	2.4
162.02751	2.0
162.51845	0.8
163.04054	7.8
164.04471	1.0
165.12843	1.6
165.56024	1.1
175.03979	3.9
177.05621	2.3
179.03516	24.7
180.03909	1.2
187.03996	3.4
193.15962	1.7
197.04552	27.0
197.06345	1.4
198.04883	1.8
199.07616	1.5
205.05011	1.1
207.02956	3.0
207.10521	0.9
209.06007	1.2
213.09184	2.8
225.05606	0.9
225.09251	2.4
225.11372	0.9
231.02989	4.3
237.14923	3.4
240.04199	1.0
241.05006	1.9
243.06630	3.2
243.10338	0.9
249.04019	1.6
254.09180	1.0
255.06612	3.0
255.15961	2.8
269.08203	3.8
271.06161	2.3
273.17078	2.5
281.04486	2.7
281.09277	1.5
285.07483	1.2
287.09232	9.6
288.09644	1.3
297.07709	5.7
299.05490	1.7
306.90887	0.9
311.04904	0.9
313.07071	2.4
317.19684	1.2
323.07678	2.3
341.06396	2.6
359.07468	100.0
360.07819	8.3
417.21085	2.7
435.22583	4.5
446.17212	1.1
477.23434	39.8
478.24423	5.0
490.16092	1.1
521.12445	1.6
521.27655	6.8
521.33765	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.00588	4.3
59.01382	100.0
70.92252	1.3
70.92590	2.3
71.01385	70.2
72.99308	8.7
83.01421	2.6
85.02946	12.6
87.00873	4.9
89.02444	96.5
93.03469	3.9
95.01390	2.9
101.02445	40.2
108.02168	3.0
109.02956	3.5
113.02451	29.4
119.03503	39.4
119.04851	1.7
121.02971	2.8
123.04520	4.5
131.03497	5.2
134.03720	1.6
135.04514	32.1
137.02446	8.3
143.03465	10.6
149.04573	4.5
159.04520	2.4
160.05214	6.0
161.02428	5.1
161.04559	6.2
161.05954	2.6
172.05325	4.4
175.04141	1.4
175.07654	3.1
179.03548	7.1
179.05611	17.9
179.42958	1.3
189.05620	6.3
190.06351	7.6
197.04587	5.5
203.07213	1.3
205.08696	6.2
269.68762	1.8
279.80899	1.3
281.06409	11.5
296.10495	4.0
311.12805	3.8
329.13943	1.8
341.13943	30.8
342.14230	4.8
401.11517	1.4
404.51837	1.5
417.12109	3.8
479.11847	4.1
521.12732	3.3
521.20386	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.1
59.01093	2.6
59.01381	43.4
61.98825	15.5
70.04134	5.0
70.04504	2.5
71.01375	24.8
72.99295	6.3
73.02950	8.2
75.01897	1.4
76.47203	1.2
81.03467	2.8
83.01395	5.0
83.05015	5.2
85.02944	18.0
87.00874	10.1
89.02437	3.2
89.17856	1.6
91.41629	1.4
93.03455	3.2
95.01407	9.3
95.05006	1.7
96.79966	1.4
97.02940	1.2
97.06585	5.0
99.00857	2.7
101.02440	17.0
107.05035	13.5
108.02169	35.8
109.02953	74.3
110.03259	2.4
111.00867	1.3
113.02460	13.8
117.03456	5.2
119.03493	2.1
119.04976	3.1
120.05798	5.2
121.02932	1.9
122.06059	1.4
123.00859	5.8
123.04510	4.3
124.72927	1.5
125.02474	1.4
126.90485	2.5
133.02922	5.8
133.10184	1.6
134.03700	3.0
135.04530	17.3
135.11676	1.5
137.02473	2.6
143.03551	1.5
145.02957	14.3
149.02513	1.8
149.06068	1.7
151.03996	3.2
152.04701	1.7
153.01918	1.3
159.08105	2.1
159.11824	2.1
161.02452	21.6
161.04536	13.6
161.09717	24.6
161.13324	13.3
163.04016	2.3
163.11285	5.4
177.09167	2.0
179.03467	9.3
179.10776	3.6
187.11284	31.2
187.12933	1.1
188.11623	2.2
189.09184	23.8
190.09531	1.8
193.05003	2.8
197.04524	7.2
203.10680	2.8
205.12361	16.7
207.10272	10.7
229.12283	1.5
231.10248	2.5
239.09390	1.8
249.11299	14.6
250.11522	1.8
253.05159	1.7
267.12326	5.1
271.08200	5.6
311.05481	2.3
359.07782	5.7
361.29840	2.0
461.31146	3.7
489.16794	1.5
521.20245	100.0
521.32178	9.0
522.20941	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	521.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57026	0.4
59.01381	18.2
61.98829	1.1
65.03964	0.9
65.05645	0.4
71.01384	4.1
71.37452	0.9
72.99299	2.4
73.02960	3.3
80.02733	0.6
81.03458	3.0
83.01389	5.3
83.05012	0.8
85.02943	2.6
88.98821	1.5
89.02472	0.8
93.03460	87.8
94.03819	1.9
95.05029	3.7
97.02966	0.7
99.00935	0.5
101.02448	3.3
109.02942	6.9
109.06596	2.1
111.04510	1.2
113.02469	0.9
115.38306	0.6
119.05025	0.5
121.06661	0.5
123.04525	3.0
125.02468	0.6
132.46573	0.4
133.02983	2.3
133.06549	0.7
135.04533	9.8
135.08171	3.0
137.02448	100.0
138.02760	2.7
141.05580	1.4
141.09183	0.5
142.88724	0.4
145.02972	0.6
151.03992	0.6
159.08157	0.6
160.01599	0.6
161.02454	8.9
161.04607	0.6
161.06064	0.6
162.02849	0.6
163.03952	0.8
165.05579	0.8
175.03990	0.7
175.07639	0.6
177.09239	4.9
179.03497	3.9
179.07130	1.5
183.33925	0.5
195.10281	5.2
197.04535	3.6
201.09192	1.2
203.07161	3.3
217.08769	0.6
219.10162	1.1
221.08253	1.6
235.09749	1.0
239.07121	0.9
239.09270	8.5
240.09523	0.7
243.10255	1.1
245.08191	11.3
246.08531	0.7
260.06259	0.5
263.09268	4.5
277.10788	0.5
281.10352	0.8
287.09351	2.1
299.18698	1.0
305.10367	3.5
323.11456	0.9
341.09024	0.9
347.11630	0.5
359.07083	1.1
359.10269	1.4
383.13391	7.6
477.23343	1.0
520.33704	0.8
521.16718	13.3
521.26062	4.8
521.33514	1.0
522.16992	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	521.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77903	0.2
54.09126	0.2
54.46021	0.2
59.01384	3.4
61.98828	4.0
65.03967	0.5
68.23505	0.2
69.63955	1.7
69.64360	0.6
71.01395	0.7
71.84898	0.2
72.99308	0.7
73.02950	0.6
73.19431	0.3
74.05116	0.3
75.00900	0.4
81.03448	1.0
83.01379	1.6
83.05025	0.4
85.02923	0.3
89.02442	0.3
93.03458	57.9
94.03775	1.2
95.05013	1.1
97.52951	0.3
101.02457	0.7
109.02956	2.1
109.06559	0.4
113.02412	0.3
119.05052	0.3
123.04505	0.4
135.04562	1.3
135.08109	0.5
137.02443	100.0
138.02786	3.8
147.04539	0.4
159.08208	0.3
161.02443	0.8
161.05914	0.3
177.09244	1.7
179.03554	0.6
179.07121	0.5
195.10258	0.7
203.07108	0.5
203.46803	0.3
221.08159	1.0
229.01488	0.4
235.09856	0.5
239.09225	2.6
245.08170	0.9
263.09277	1.0
267.06732	0.5
269.08124	0.3
281.10175	0.3
287.06607	0.3
287.09402	1.2
295.06250	0.3
305.10397	0.7
323.11243	0.5
339.05206	1.2
353.46658	0.3
359.07819	1.0
383.13348	2.9
521.21436	0.4
521.33405	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	521.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01087	1.3
59.01378	22.3
61.98817	3.8
67.10740	0.8
69.03468	0.8
69.75587	4.3
71.01382	6.1
72.99314	3.8
73.02936	3.2
74.37099	0.7
75.60799	0.8
79.05524	1.1
81.03455	3.0
83.01392	5.6
83.05032	4.3
85.02947	3.2
89.02412	0.9
89.32617	0.8
93.03456	61.8
94.03796	1.1
94.98652	0.9
95.05040	4.5
97.02966	0.9
101.02451	5.6
104.92255	0.7
107.05012	2.1
107.64156	0.8
109.02962	5.4
109.06578	3.2
111.33669	0.7
113.02444	2.6
117.03481	1.4
119.04996	2.5
121.02963	1.6
123.04523	5.8
125.02440	0.9
125.09703	1.0
133.02969	2.1
134.03773	4.8
135.04526	100.0
135.08131	2.6
136.04869	4.3
137.02443	78.6
138.02768	2.4
145.02946	3.3
150.03261	1.0
151.03987	2.3
153.01958	1.0
159.08122	1.6
161.02443	10.0
161.04483	1.0
161.06099	1.0
163.04005	1.2
165.05605	1.9
175.04013	1.1
177.01942	0.9
177.09190	14.1
179.03497	94.4
179.06911	2.2
180.03795	3.6
195.10287	1.8
197.04539	6.9
203.07173	2.4
221.08238	5.0
235.09694	1.5
239.09274	8.0
243.10356	0.9
245.08139	2.3
263.09164	2.9
269.08142	1.6
270.08191	1.0
281.06677	1.2
287.09216	1.9
295.05865	1.5
297.07724	1.4
305.10306	2.9
307.08167	1.0
323.11487	1.2
329.55539	0.7
337.07565	1.1
359.10184	1.8
383.13461	6.0
388.83722	0.9
434.12488	0.9
439.12073	0.9
473.14319	1.6
503.25250	1.0
521.16559	14.5
521.25885	16.5
521.33002	1.1
522.16858	1.0
522.26099	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	521.1301
Annotation	Salviaflaside
Peak:m/z	Relative Intensity
52.48979	0.7
59.01379	2.4
71.01369	1.5
71.15022	1.3
72.99306	39.8
75.71906	0.7
82.08710	0.6
89.03964	0.6
107.05061	1.2
109.02951	1.5
123.04531	14.4
132.02158	2.3
133.02951	29.2
134.03773	0.8
135.04527	38.5
136.04863	1.6
151.04007	1.5
160.01747	1.8
161.02443	100.0
162.02763	3.4
179.03493	34.8
179.05118	1.3
180.03807	2.0
197.04544	55.6
198.04851	1.3
317.68304	0.7
323.07690	7.5
331.23740	0.8
341.08862	2.6
359.09671	44.6
360.10010	3.0
491.45285	0.7
521.13129	13.1
521.20441	2.4
521.26654	1.2
522.13251	1.5
549.90143	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	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98675	0.8
59.01373	1.0
65.27038	0.8
65.74558	0.7
71.01377	0.7
72.99313	47.2
78.51175	0.9
83.71578	0.9
84.96886	0.8
95.04987	0.9
109.66987	0.8
123.04524	13.1
133.02959	2.7
134.03831	1.1
135.04526	32.3
139.03917	0.9
151.04021	1.3
161.02452	7.3
179.03493	35.1
180.03773	1.1
197.04552	70.9
198.04903	2.9
266.10452	0.9
359.09860	100.0
360.10181	6.9
385.31317	0.9
521.12695	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	521.1302
Annotation	Salviaflaside
Peak:m/z	Relative Intensity
53.52874	0.4
57.12528	0.5
59.01378	2.7
61.98826	0.5
71.01389	1.1
71.58407	0.8
72.99311	12.1
73.02970	0.7
74.47435	0.4
89.02469	1.0
89.03991	0.5
101.02437	0.8
107.05044	1.4
109.02953	1.4
116.92764	0.6
123.04534	5.9
126.54720	0.4
132.02174	1.2
133.02962	16.0
134.03769	4.2
135.04527	74.2
135.88808	0.5
136.04848	2.0
137.02405	0.7
151.03979	0.7
161.02443	100.0
162.02745	3.9
163.04051	0.4
179.03491	32.3
180.03845	1.3
197.04549	19.4
198.04913	1.0
223.02469	0.7
317.10065	0.6
323.07733	0.7
341.08957	2.2
359.07645	47.5
360.08017	4.2
438.97748	0.5
521.13165	4.9
521.25525	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	521.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
57.31618	0.3
59.01381	14.7
60.01721	0.6
61.98518	0.4
61.98831	6.4
69.46624	2.6
71.01381	2.1
71.05016	0.4
72.99306	10.8
73.02961	1.1
73.99610	0.4
83.01408	0.4
85.02934	1.7
89.02458	0.6
93.03452	2.8
94.25322	0.3
96.41773	0.4
96.63649	0.3
99.00835	0.4
101.02429	2.0
104.00630	0.3
107.04998	0.5
108.02181	5.7
109.02975	5.7
113.02444	1.5
116.92849	0.4
117.03479	0.9
117.92915	0.4
119.05022	0.5
121.02964	0.4
123.04522	6.8
132.02205	0.9
132.04475	0.4
133.02957	21.9
134.03773	0.6
134.06123	1.6
135.04524	15.2
136.04892	0.6
137.02448	4.6
140.24432	0.3
145.02960	1.6
149.02496	0.5
149.06126	0.5
151.03973	0.7
152.01154	6.0
153.01918	2.0
153.05556	2.1
161.02443	100.0
162.02780	4.5
163.04028	0.4
165.05600	0.4
175.03946	0.3
177.01964	0.4
179.03493	11.7
180.03842	0.7
180.31656	0.3
190.05055	0.6
190.25827	0.3
197.04539	15.8
198.04892	0.7
201.86755	0.3
223.02626	0.5
229.01372	0.4
276.81967	0.3
315.07224	1.4
337.11996	0.4
359.07700	39.7
360.08026	3.7
397.13898	0.4
417.18640	0.5
441.33868	0.3
458.33856	0.7
459.34442	2.0
461.31149	3.2
462.20422	2.1
477.17630	4.0
478.18030	0.6
479.32120	1.2
520.33130	1.1
521.16339	4.0
521.34137	2.6
522.22485	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	521.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25612	0.8
59.01376	12.7
61.73579	0.8
61.98513	1.8
61.98831	33.2
62.18962	0.8
63.69099	0.7
71.01394	1.2
72.98919	1.7
72.99311	25.5
81.03439	0.8
87.49505	1.0
93.03465	2.9
101.02446	1.2
108.02219	1.0
109.02956	40.4
119.05046	2.1
120.14204	0.9
121.02953	2.6
123.04536	5.5
129.03476	1.5
132.02199	0.9
133.02948	6.2
134.03719	1.6
135.04535	28.8
137.02477	7.3
145.02975	11.3
146.03763	1.7
147.04527	12.0
149.06110	2.7
151.04002	1.3
157.02966	2.6
158.03720	1.3
159.04524	8.8
161.02461	29.9
161.06056	4.1
163.04012	8.7
174.03137	1.0
175.04008	3.5
177.05582	1.2
179.03499	17.3
180.03824	0.9
181.05077	3.3
185.02455	2.0
186.03123	1.5
187.04013	7.9
189.01813	1.1
191.54726	1.0
197.04550	13.7
203.03528	2.1
207.02977	3.8
209.06035	1.0
211.04059	1.0
213.01892	2.2
229.01448	12.5
229.69644	1.1
231.02988	4.4
237.05598	2.1
238.06451	1.2
239.03445	3.2
239.07173	1.1
240.04268	1.5
243.06628	4.5
249.03737	1.9
249.05872	1.6
253.05022	4.2
255.06642	5.4
264.04028	1.2
265.04993	1.3
266.05753	1.3
267.06558	9.1
269.08170	6.7
270.08487	1.3
271.06088	2.3
277.05054	4.7
278.05582	1.1
279.03030	1.7
279.06635	1.3
281.04568	12.7
285.07574	1.2
293.04510	1.8
294.05408	1.1
295.06158	10.2
297.07642	8.1
299.05637	1.1
313.07172	4.3
323.05392	10.7
324.05856	1.2
339.05084	31.7
340.05331	3.2
341.06635	10.8
359.07700	100.0
360.08044	8.6
424.87216	0.9
520.33105	1.0
521.11768	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	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	58.6
60.01720	1.1
61.98830	100.0
71.01386	6.4
71.66207	1.2
72.99300	6.0
73.02936	3.3
73.58929	0.8
75.00865	1.0
85.02954	3.6
87.00876	0.9
89.02424	1.2
93.03445	1.8
95.01405	1.2
99.00887	0.8
99.92590	1.3
101.02446	4.9
101.05140	0.8
108.02171	15.9
109.02953	12.8
109.03657	1.0
113.02440	2.8
115.92070	1.9
116.92125	1.6
116.92870	6.9
117.92897	3.8
119.03503	0.9
122.06100	1.0
123.04509	3.3
133.02943	12.8
134.06119	2.1
135.04521	11.4
137.02435	2.7
145.02930	2.4
146.03265	0.9
151.03967	0.9
152.01160	15.9
153.01923	5.1
153.05518	1.6
161.02441	53.6
161.04610	2.2
161.09755	1.4
162.02803	0.9
163.03973	0.9
179.03485	6.3
179.10901	1.0
197.04562	8.8
269.07089	1.0
285.23477	0.8
315.07175	3.6
358.09500	5.6
359.07700	16.4
371.20724	1.8
413.21695	4.4
457.33325	0.8
459.34775	1.6
460.18475	0.9
461.31177	2.4
476.25763	3.3
477.17651	11.9
519.33606	4.5
520.11957	2.0
520.21863	1.0
520.33704	9.3
521.16418	11.9
521.34137	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	520.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09523	0.8
53.81967	0.7
57.03450	1.2
57.25124	0.8
57.25419	1.0
59.01379	46.2
60.99331	0.8
61.98832	75.8
69.84856	4.0
71.01378	5.2
72.99313	10.9
73.02956	3.0
83.01396	1.1
85.02946	2.7
87.00896	1.0
89.02443	1.2
93.03455	2.6
98.19860	1.8
99.00922	1.0
101.02454	4.7
107.05095	0.9
108.02187	12.4
109.02957	12.1
113.02457	3.4
115.92065	1.8
116.92845	8.7
117.92867	4.1
119.05006	2.4
123.00898	1.2
123.04537	7.1
132.02217	1.5
133.02950	21.0
134.03706	1.0
134.06137	2.0
135.04518	19.3
136.04831	1.5
137.02460	4.1
145.02974	2.1
146.03381	0.9
151.04048	0.9
152.01170	12.4
153.01947	3.9
153.05598	1.6
161.02444	100.0
162.02780	1.5
163.04056	1.1
167.74384	0.8
179.03494	12.4
197.04541	15.7
289.69046	0.9
315.07291	2.5
358.09665	2.0
359.07706	36.6
371.21082	1.3
413.21869	3.4
434.25232	1.0
457.33133	1.5
458.33643	2.0
460.18652	1.5
461.31143	2.3
477.17535	7.9
479.32059	1.5
519.33081	4.3
520.11951	2.1
520.20093	1.2
520.33594	7.4
521.16602	9.6
521.33569	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	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
62.96392	0.3
66.57227	0.2
70.56033	0.6
78.95905	45.1
85.89004	0.2
88.90852	0.2
96.96960	5.7
120.52783	0.2
122.73293	0.3
150.98001	2.1
152.99588	100.0
153.99915	1.4
171.00645	4.2
279.23331	0.9
354.94623	0.3
433.23581	24.1
434.23965	2.9
434.69659	0.2
520.26794	5.6
521.27612	0.4
544.63763	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	521.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.8
61.98827	4.6
71.01377	2.0
71.62997	0.6
72.98922	0.9
72.99310	12.9
73.02948	0.8
73.66196	0.4
75.00858	0.5
76.37509	0.4
85.02989	0.5
87.00851	0.5
87.58247	0.5
89.02431	0.6
93.03461	11.1
95.05049	0.7
101.02448	1.2
106.06583	0.5
108.02177	1.8
109.02973	7.7
113.02433	0.8
116.92833	0.6
117.03423	0.6
119.05023	0.8
122.06111	1.5
123.04560	2.3
133.02960	1.8
134.03708	0.6
134.06120	1.4
135.04530	8.5
137.02451	20.0
138.02768	0.5
143.14311	0.5
145.02960	1.4
149.02525	0.5
149.06133	3.6
151.03975	1.7
152.01120	1.0
152.07146	2.1
153.01927	1.2
161.02458	9.6
161.04820	0.6
161.06079	4.6
163.04054	2.2
175.03975	1.5
177.05521	1.7
177.09183	0.7
178.37810	0.5
179.03508	4.5
187.03979	2.6
196.44147	0.5
197.04538	2.1
205.05051	4.8
215.07082	0.8
223.06133	0.6
225.05559	1.6
228.04169	0.6
231.02994	1.4
239.09137	0.6
243.06627	11.5
249.03958	1.4
255.06633	4.1
267.06552	0.8
271.06061	3.7
273.07700	1.0
281.09503	1.9
285.07666	3.9
293.09293	0.8
297.07431	1.3
299.05591	7.7
313.07184	3.1
317.06662	7.4
318.07117	0.6
323.05447	1.2
341.06735	4.5
359.07706	100.0
360.07993	8.7
383.13245	0.5
446.17227	0.6
461.19061	1.3
478.19748	0.7
490.16214	0.5
521.10559	1.0
521.20599	1.0
521.26917	1.0
521.33398	1.5
522.18890	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	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69279	1.4
59.01381	62.9
60.83561	1.6
61.98831	88.1
71.01379	5.9
71.62878	1.6
72.99312	17.0
73.02947	2.8
77.79749	1.3
85.02963	3.3
93.10473	1.4
101.02473	3.3
106.06617	4.9
107.04996	1.9
109.02953	3.9
113.02502	2.0
117.03465	33.9
118.03790	12.3
119.05045	9.6
120.05373	4.3
122.06133	5.2
123.04532	6.6
133.02975	8.4
134.03725	4.6
134.06123	30.9
135.04527	69.9
136.04840	5.1
145.02951	100.0
146.03290	50.3
161.02441	26.8
161.04507	2.1
162.02798	2.5
163.04015	12.3
164.04359	5.3
179.03464	15.8
187.03973	2.4
197.04547	16.2
223.06413	5.1
238.08696	2.6
249.36478	1.3
270.11240	7.4
282.11407	4.7
296.12891	2.3
311.05399	2.1
357.16052	2.6
359.07776	1.5
364.88135	1.7
371.20871	1.8
385.15671	3.3
389.18558	2.1
417.18161	59.8
444.57596	1.6
461.17285	5.4
477.20367	28.6
519.33307	5.1
520.22729	47.5
520.33984	13.6
521.19684	4.1
521.22760	4.0
521.33429	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	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92315	0.8
55.80527	0.9
59.01088	2.0
59.01381	35.6
61.98833	100.0
69.38422	3.1
69.38840	5.0
71.01385	2.8
73.02938	2.2
74.02476	3.4
79.08791	1.1
85.02953	0.9
89.02441	1.3
92.48930	1.0
96.48682	0.9
101.02464	2.7
109.90046	1.0
113.02417	1.4
135.04446	1.3
161.04536	1.4
197.04454	1.1
230.57942	0.9
275.49585	1.0
281.11014	1.0
520.27673	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	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	40.5
61.31715	0.4
61.98832	100.0
69.34154	4.8
71.01379	3.3
72.99330	0.6
73.02953	1.3
74.02477	7.8
79.26984	0.5
82.93258	0.4
85.02969	1.3
89.02460	1.6
101.02454	2.7
113.02474	1.5
119.03526	1.0
119.05030	1.3
134.03780	0.9
135.04535	1.3
136.01682	0.5
137.02498	0.6
137.06184	0.8
140.77281	0.5
151.04044	1.5
161.02393	0.9
161.04602	0.7
161.17357	0.5
163.04071	0.8
179.03487	0.7
181.05103	0.8
193.05167	0.6
358.14063	1.3
359.07693	0.5
371.20914	1.0
409.87903	0.6
413.22021	1.4
460.25943	0.8
478.26849	1.0
519.33582	0.8
520.15631	1.2
520.27417	9.6
521.21112	0.6
521.27814	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	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25904	0.7
53.28971	0.7
54.13750	0.9
57.01648	0.8
59.01381	57.8
61.98829	100.0
66.36623	0.7
69.35742	4.5
69.36156	2.2
71.01384	6.1
72.99309	15.0
73.02950	1.9
75.00848	1.8
83.01409	0.9
85.02965	2.7
85.18202	0.7
87.00896	0.8
89.02491	1.1
101.02443	3.5
105.44186	0.9
106.06637	2.5
107.05028	1.3
109.02978	5.1
113.02432	3.2
117.03468	17.1
118.03785	6.7
119.05037	4.9
120.05389	1.2
121.02952	1.3
122.06134	2.0
123.04501	7.1
133.02971	4.3
134.03792	5.5
134.06117	14.5
135.04527	56.6
136.04872	2.8
143.05003	1.1
145.02951	56.1
146.03288	23.0
147.03568	1.1
159.04472	1.4
161.02448	13.3
161.04552	1.6
163.04002	8.2
164.04382	2.8
176.60475	0.8
179.03500	12.2
180.03760	0.8
185.41411	0.8
197.04539	15.6
197.06331	0.8
209.15518	0.8
223.06337	2.0
224.14030	0.8
238.08672	2.1
250.08627	1.4
267.06567	0.9
269.08118	1.4
270.11172	3.8
282.11343	1.8
296.12726	0.8
306.99994	0.8
341.16565	1.4
353.19745	1.3
357.06381	1.4
357.16309	1.5
358.06369	1.5
359.07925	1.2
371.20813	2.3
385.15488	1.2
413.21753	3.9
417.18185	25.8
445.13867	1.0
461.17197	2.8
461.31369	2.3
477.20261	13.4
519.33087	1.5
520.22687	27.1
520.34174	5.0
521.22113	5.5
521.33093	4.9
531.93591	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	520.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21480	0.3
56.77765	0.3
59.01383	2.1
61.98833	100.0
63.89049	0.3
71.01386	0.6
72.99306	1.3
73.02940	0.4
74.02477	0.8
80.01481	0.2
85.02972	0.4
88.84467	0.3
89.02414	0.3
90.45670	0.3
93.03435	0.4
101.02475	0.5
109.02980	1.5
117.03503	0.4
119.05029	0.4
123.04523	0.7
125.02482	0.3
133.02980	0.3
135.04530	2.7
136.04871	0.3
137.02464	1.4
145.02979	1.2
146.03279	0.4
151.04053	0.3
152.21220	0.3
159.04575	0.5
161.02478	1.5
163.04022	0.4
177.09213	0.3
178.03543	0.3
179.03481	1.3
187.04082	0.9
197.04538	0.5
216.84801	0.3
229.46759	0.3
239.03683	0.4
279.02887	0.3
281.04642	1.1
281.23099	0.3
297.07700	0.5
323.05673	1.2
339.05179	0.4
341.06577	0.8
359.07581	4.2
371.36490	0.3
519.33429	0.6
520.26917	0.8
520.33740	1.0
521.20276	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	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25813	0.6
57.63323	0.6
59.01380	64.2
61.98830	100.0
69.83305	1.1
69.83710	2.5
71.01390	4.8
72.99319	2.5
73.02953	1.6
74.02486	1.3
83.01404	1.5
85.02956	2.0
87.77854	0.6
89.02465	1.4
93.03456	37.9
98.00626	0.6
101.02455	2.7
105.60224	0.6
109.02986	2.4
113.02482	1.7
123.04558	0.6
133.02971	1.0
134.06168	0.8
135.04514	4.4
137.02438	60.3
143.03496	0.6
145.02945	1.1
161.02463	3.1
179.03592	1.4
196.13408	0.6
197.04536	1.7
209.15662	0.7
209.77586	0.6
239.09253	1.2
243.06657	1.7
245.08215	1.9
255.06628	0.8
299.05917	1.2
317.06726	1.4
339.05115	1.0
353.19720	3.3
359.07565	11.5
371.20734	4.9
383.13684	1.7
413.21768	7.0
520.20721	1.1
520.33539	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	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	49.0
61.98831	100.0
69.39783	7.1
69.40114	1.4
71.01373	3.3
72.99313	0.9
73.02948	1.3
88.26244	0.8
89.02451	1.8
98.19907	1.6
99.17331	0.8
101.02447	1.2
109.02905	1.3
113.02465	1.5
134.06110	1.3
135.04541	3.0
145.02946	1.1
146.17416	0.8
161.02438	1.9
179.03479	1.6
179.05605	1.0
197.04515	1.0
296.16037	0.8
371.20746	1.5
396.96231	1.0
413.21613	2.4
428.15933	1.2
460.18765	3.5
477.23611	1.4
520.20990	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	519.3327
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
57.03434	0.3
58.00605	0.4
59.01084	0.4
59.01380	8.1
60.01692	0.2
61.98833	13.7
65.96787	0.3
71.01382	4.1
71.04984	0.7
71.14974	0.3
71.15312	0.4
72.99306	0.8
73.02946	3.9
73.45726	0.3
74.02486	2.0
83.01366	0.4
84.29436	0.2
85.02929	1.2
87.00879	0.5
88.98837	0.3
89.02440	1.0
101.02446	2.0
109.02952	1.1
113.02444	1.1
116.92910	0.5
117.03455	0.4
119.03492	0.6
119.04986	0.7
119.08640	0.5
123.04527	0.4
131.37889	0.3
133.02921	0.4
134.03714	0.4
134.79079	0.3
135.04526	1.3
145.02950	1.1
146.03708	0.3
159.04533	0.3
160.01761	0.3
161.02419	1.6
161.04610	0.4
161.06009	0.3
163.04028	0.7
175.03944	0.2
179.03456	0.4
197.04474	0.3
209.06079	0.3
237.05623	0.3
239.07234	0.6
255.06708	0.7
267.06564	0.8
283.06137	1.7
293.29831	0.3
295.06213	1.7
296.06543	0.3
311.05573	1.1
333.25858	0.6
339.05002	1.2
357.06171	10.7
357.26147	0.3
358.06598	1.2
375.26920	0.5
385.27237	0.5
429.30093	1.1
441.29831	0.3
475.34033	0.4
501.32303	0.5
519.33240	100.0
520.27521	1.2
520.33765	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	519.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23388	0.8
58.44696	0.9
59.01382	100.0
69.72560	5.6
96.96021	1.8
98.20592	1.8
109.54364	0.9
111.00898	1.1
130.75185	0.9
135.04506	1.6
161.02440	2.9
179.03557	1.3
406.79138	0.9
519.26685	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	519.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30107	0.9
58.91223	0.9
59.01381	100.0
61.98824	0.8
68.55937	0.9
72.99307	2.3
133.02950	2.7
135.04524	7.2
146.02362	0.8
161.02448	7.9
179.03513	7.0
253.21843	1.9
277.21820	1.7
279.23145	1.2
284.09818	1.1
407.17108	1.4
494.94415	1.1
519.27118	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	519.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32517	1.7
59.01381	100.0
60.01703	2.2
61.98844	2.7
69.45031	14.5
72.99310	5.0
78.95936	2.0
106.05991	1.7
114.04089	1.7
123.93483	1.8
130.05046	1.7
133.02940	6.2
135.04550	11.8
151.03976	1.8
161.02446	19.0
179.03467	11.8
180.03783	3.2
211.13440	2.4
277.21564	4.3
278.22089	2.2
293.85236	2.1
348.40012	2.0
353.61511	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	519.3328
Annotation	Verrucoside
Peak:m/z	Relative Intensity
59.01382	100.0
60.01720	0.4
61.98840	1.1
69.43212	3.5
71.05036	0.6
72.99305	1.0
73.02953	1.0
78.25183	0.4
86.00105	0.4
119.05101	0.6
124.63486	0.5
133.02995	1.3
135.04507	2.5
137.02394	0.5
145.03017	1.5
149.02484	0.5
161.02437	4.3
179.03522	1.0
184.69617	0.4
188.93144	0.5
195.18033	0.5
197.04572	0.6
231.65555	0.5
245.04425	0.6
439.32544	0.7
441.30215	0.7
459.31161	11.6
460.31845	1.5
485.32709	24.4
486.33133	3.1
501.32300	1.1
519.22839	0.6
519.33038	5.9
520.33417	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	519.3327
Annotation	Linoleic Acid-biotin
Peak:m/z	Relative Intensity
54.64230	0.4
57.03447	0.5
59.01385	6.2
61.98830	8.6
64.80188	0.3
70.70721	0.3
71.01387	3.7
71.04999	0.6
72.99292	0.4
73.02953	3.3
74.02478	1.3
83.01387	0.6
83.19408	0.3
85.02936	0.9
85.64452	0.3
89.02448	0.9
101.02457	1.6
109.02961	0.9
113.02434	1.0
117.03502	0.5
119.03495	0.4
119.05029	0.6
128.68336	0.4
133.02982	0.7
135.04506	1.5
145.02951	1.5
161.02446	1.0
163.04025	0.8
172.85973	0.4
179.03506	0.6
179.05574	0.4
267.06775	0.6
283.06180	1.4
287.35394	0.3
295.06213	1.1
311.05643	1.6
333.25659	0.7
339.05057	0.8
357.06143	8.3
357.10101	0.3
358.06387	0.9
375.26730	0.7
376.97342	0.4
429.29984	1.9
441.30194	0.5
501.31879	0.4
519.33258	100.0
520.26965	1.6
520.33710	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	519.3328
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
59.01093	0.4
59.01379	7.4
60.99311	3.1
61.98832	2.3
71.01389	1.4
71.05025	5.1
72.99283	0.8
73.02937	0.8
83.01376	0.3
85.02940	0.5
87.00835	0.3
89.02422	0.6
93.03499	0.3
98.19759	0.3
101.02448	0.8
109.02953	2.7
113.02433	1.0
117.03453	1.0
119.03564	0.3
119.05023	0.8
123.04501	0.3
132.02167	0.3
133.02954	1.3
134.03732	0.5
135.04529	3.8
137.02458	0.6
145.02965	2.5
147.04517	0.4
149.02400	0.3
156.82927	0.3
159.04541	0.8
160.01613	0.4
161.02455	4.5
161.04489	0.5
162.02785	0.3
163.04056	0.7
175.04024	0.6
179.03520	0.8
181.05051	0.6
191.83241	0.3
197.04523	0.4
203.03510	0.5
267.06653	0.3
269.08160	1.0
295.06528	0.3
305.22751	1.2
311.05716	0.3
313.07278	0.5
319.24359	0.5
323.07813	0.4
323.23672	0.5
339.05161	0.6
341.15970	0.3
357.06183	2.8
357.25937	0.4
358.10052	0.3
373.29053	0.4
375.26834	0.3
377.24649	0.6
385.27734	0.3
393.27972	1.7
395.25864	0.7
400.87222	0.3
405.27997	0.6
409.31345	0.9
411.28900	1.1
425.30820	0.4
443.27667	0.4
457.33215	1.5
458.33875	0.4
459.30597	1.3
471.31366	0.5
475.34183	1.6
476.34540	0.4
501.32526	2.1
502.32129	0.3
519.33264	100.0
520.33612	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	519.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51487	0.7
59.01380	4.2
59.27817	0.7
59.60774	0.6
61.98824	1.8
62.35940	0.6
71.05031	5.1
80.54395	0.6
88.32744	0.6
91.27503	0.6
97.06585	1.4
101.48135	0.6
109.02954	0.7
111.53680	0.7
117.03458	1.9
119.05032	1.0
132.91341	0.6
133.02971	1.1
135.04529	1.4
143.05031	1.4
145.02933	5.6
161.02406	2.7
161.28357	0.7
179.03415	1.3
187.03963	1.3
219.17577	0.8
248.08380	0.7
258.19931	0.6
267.06644	1.2
307.20486	0.6
310.12943	0.6
319.24277	1.3
337.21960	0.8
357.06198	0.8
357.25937	1.2
373.24991	0.8
373.29059	2.8
385.29480	0.8
387.26389	3.7
387.30688	2.5
389.28720	0.7
391.30197	1.0
403.30103	0.8
405.27924	2.0
406.28574	1.3
409.27411	1.1
421.31186	3.2
423.28973	3.6
423.33038	2.6
424.29337	1.4
439.32184	27.1
440.32523	3.8
441.13016	0.7
441.33722	2.1
443.01196	0.7
449.40768	0.8
455.31851	1.5
467.32361	4.9
473.32733	3.6
483.31128	1.4
485.32739	100.0
486.33124	14.6
501.32269	14.8
502.32565	2.7
519.22656	2.4
519.32996	5.8
520.33643	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	519.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74106	1.1
58.00597	1.8
59.01378	8.8
60.99283	1.1
61.98817	1.9
71.01387	1.4
71.05028	6.5
71.39652	1.2
97.06567	1.5
119.70988	0.9
131.93420	1.0
133.02902	1.7
145.02933	2.1
161.02403	2.5
161.73796	1.2
198.87601	1.2
238.40790	1.2
337.21680	2.3
355.26480	1.5
406.28619	3.1
409.27448	1.7
421.31256	5.5
422.27777	2.3
423.28708	6.7
425.30374	1.2
439.32144	32.9
440.32419	4.6
441.29483	1.4
455.31799	2.0
457.32932	3.7
467.31958	5.5
473.32666	8.7
474.32950	1.5
485.32697	100.0
486.33026	14.0
501.32236	16.4
502.32645	2.0
519.32977	9.7
520.32935	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	519.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	26.3
60.75385	17.5
69.51991	100.0
69.52402	33.6
84.00443	19.8
98.19904	41.1
99.13413	17.4
99.51119	16.5
144.38643	17.5
145.02994	16.4
158.67799	17.4
161.02444	21.4
200.87311	19.0
271.77667	18.3
277.65854	21.1
515.42810	18.9
518.41260	19.2
519.28632	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	519.2973
Annotation	Soraphen A
Peak:m/z	Relative Intensity
57.03427	1.0
59.01381	44.3
61.98833	19.8
65.86663	0.7
71.01392	5.4
71.05007	6.7
72.97507	1.4
72.99292	1.3
73.02908	1.9
75.00845	2.1
85.02917	2.0
87.00847	1.2
89.02403	1.3
95.05000	3.4
98.20705	1.3
101.02415	2.6
106.06633	3.5
107.04991	1.6
108.02126	1.6
109.02934	4.9
109.06551	2.5
113.02451	1.6
117.03403	2.1
119.04984	2.7
119.08604	0.8
121.06538	2.8
123.04503	1.0
124.73860	0.8
127.85394	0.7
133.02975	1.5
134.05194	1.1
134.06117	13.8
135.03612	0.9
135.04523	11.2
136.04819	1.3
145.02948	7.1
147.04465	0.7
149.06093	4.7
151.03970	1.0
153.01859	0.9
159.04453	1.1
161.02444	6.1
162.02786	0.9
162.06827	1.0
163.03973	1.2
172.61209	0.7
175.03900	1.0
179.03531	4.7
181.12177	0.9
189.09091	3.2
197.04538	1.3
205.12123	0.9
210.07834	0.7
213.10313	0.7
222.05424	0.7
225.10681	0.6
237.10213	2.3
238.07144	0.7
249.10036	1.5
251.07964	1.0
253.09653	2.0
261.60107	0.7
263.14148	1.2
265.06061	1.4
265.09534	1.1
266.06717	2.3
269.07959	1.2
277.15778	2.2
278.06796	1.2
279.07712	1.0
279.17484	6.5
281.09259	5.7
281.15213	1.0
287.20026	1.6
293.09171	4.7
293.16394	0.8
293.19095	7.8
294.19492	1.0
295.05948	1.2
295.17398	0.9
295.20584	10.0
296.20813	0.8
297.18439	1.1
307.10623	0.8
311.17041	0.8
311.20148	6.8
313.11761	2.7
313.18457	0.9
313.21710	7.9
321.03821	0.9
321.18436	2.9
321.21991	1.4
325.11664	1.5
329.21176	4.0
337.21658	7.7
338.22113	1.0
339.04803	3.1
341.15622	0.8
349.21640	3.7
350.21643	0.8
355.22781	4.5
357.06030	1.9
358.15341	1.0
367.22806	3.5
372.13440	1.0
373.23514	2.5
384.17361	3.7
387.24850	1.0
399.23593	0.9
400.16489	0.8
403.26050	1.9
405.26654	3.8
417.25034	1.2
421.27075	1.0
423.25180	2.2
428.16119	5.8
439.28711	1.7
441.26083	2.2
444.18997	1.3
457.29242	2.4
460.18784	25.1
478.19427	1.9
501.27853	1.0
519.29242	100.0
520.20386	20.2
520.29523	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	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.75034	12.3
69.75446	7.4
71.01387	29.7
73.02946	13.8
81.42874	3.0
82.31435	3.6
83.01361	5.4
85.02955	11.9
89.02451	13.4
89.03954	3.8
95.01362	3.5
99.00867	4.2
101.02422	20.3
109.02955	21.2
113.02428	14.8
118.50634	3.1
119.03505	3.8
119.05019	36.0
125.02448	4.3
130.40239	3.0
133.02917	7.1
134.03685	3.1
135.04466	9.3
147.04517	6.9
159.04553	19.2
160.01649	9.2
161.02454	7.8
161.04491	10.6
163.04010	20.8
172.65363	3.6
175.04099	17.8
175.05267	3.2
177.01965	24.1
181.05016	11.7
206.20686	3.7
269.08240	22.6
304.65088	3.4
315.18021	10.5
327.08914	3.8
397.22137	4.8
415.23422	39.2
433.24435	36.6
475.25894	3.6
519.11121	5.4
519.32733	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	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01702	0.8
60.10754	0.6
61.98834	12.5
63.18501	0.6
68.44935	0.6
71.01381	6.0
72.99304	3.0
73.02961	2.9
83.01398	0.9
85.02962	2.5
87.00915	0.7
89.02460	2.3
93.03486	0.6
96.98141	0.6
98.19847	1.7
99.00885	1.0
99.62060	0.6
101.02449	4.7
108.02222	0.9
109.02966	1.6
113.02478	2.4
117.03427	0.9
119.05064	1.0
121.02988	1.0
123.04550	1.0
133.03003	3.9
135.04529	8.1
136.04875	1.0
145.02983	2.4
151.04091	0.7
161.02452	12.2
161.04555	2.1
162.02779	1.3
163.03981	0.8
164.28723	0.8
177.01996	1.0
179.03510	3.0
179.05690	0.7
180.03697	0.6
180.10146	0.6
207.04572	0.9
235.04063	1.8
237.05783	0.7
251.03452	5.3
262.99783	0.6
263.03320	3.1
264.04321	1.5
265.05121	3.0
266.02267	0.6
267.03055	4.6
271.19470	0.7
279.03055	1.2
281.04495	4.3
291.02972	3.2
293.04507	1.1
293.10324	1.1
294.10825	1.8
295.06296	1.1
307.02484	5.8
308.03171	0.9
309.04044	10.2
320.03336	1.2
339.05374	1.8
357.06180	7.4
357.13535	0.9
371.26315	0.7
399.08972	1.2
399.23886	6.5
400.24545	1.2
405.26749	0.9
417.24948	4.3
443.07855	2.5
456.13672	1.3
459.25452	3.2
475.25510	0.9
487.07147	1.5
519.18829	1.1
519.33319	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	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03438	1.1
58.74135	0.7
59.01384	100.0
60.01725	1.0
61.98851	4.2
69.03467	0.8
71.01386	11.2
71.05017	4.4
71.39722	0.9
72.67376	0.7
72.99326	2.9
73.02969	4.8
75.02952	0.7
83.01408	2.6
85.02965	6.1
87.00906	1.5
87.05324	0.8
89.02448	3.3
95.01377	1.4
95.05052	0.8
99.00883	1.0
99.55746	0.6
101.02456	8.4
109.02991	2.5
112.01707	0.7
113.02455	4.9
117.03492	3.1
119.03513	1.2
119.05045	2.6
121.03002	0.8
123.04536	1.3
133.02960	4.2
134.03789	0.8
135.04535	12.3
138.37120	0.7
140.41968	0.7
143.03494	0.7
143.05009	1.0
145.02962	8.8
159.04488	0.7
161.02464	13.8
161.04614	3.1
162.02858	0.8
163.03958	3.3
164.33330	0.7
179.03572	3.0
179.05721	1.2
181.05199	0.8
197.04573	1.1
199.08920	0.8
253.66026	0.8
339.05261	4.2
357.06354	2.4
358.09570	2.7
367.26547	1.6
373.15039	1.0
388.26303	0.7
399.23785	8.5
415.23370	4.4
417.24945	4.9
423.29318	1.4
433.24338	4.3
439.25305	1.3
439.32068	1.8
457.24780	0.9
457.27216	0.8
457.33176	5.3
458.33606	0.8
459.25568	1.1
471.31116	3.8
475.25491	30.7
476.25638	4.4
501.32718	1.1
519.22644	3.1
519.33936	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	519.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13017	1.3
57.03437	2.8
59.01382	100.0
61.98828	10.3
68.82741	1.4
69.72074	1.3
71.01382	19.9
71.66319	1.8
72.99314	4.2
73.02951	9.4
76.74481	1.3
83.01384	3.6
85.02952	9.8
86.33777	1.4
87.00890	2.3
89.02462	4.6
92.28719	1.2
95.01350	1.7
99.00873	2.5
101.02449	15.4
109.02953	4.0
113.02448	9.2
116.92857	1.9
119.03438	2.3
119.05067	1.5
121.81501	1.3
133.02940	4.4
134.03720	1.4
134.06117	1.4
135.04518	17.2
137.02498	1.4
145.02927	5.8
145.47636	1.4
153.01994	1.6
156.71593	1.4
161.02457	19.9
161.04546	5.0
163.04001	2.2
179.03467	5.4
197.04514	1.8
220.10831	1.4
226.02890	1.3
311.05579	1.4
313.07074	2.6
315.18228	1.7
339.05014	11.2
340.05823	1.4
357.06061	3.0
373.14862	1.4
373.28726	1.6
399.23779	11.0
415.23547	6.2
417.24890	8.2
433.24243	5.6
434.56729	1.5
439.32227	1.9
457.24036	2.2
457.33234	4.7
459.25623	7.1
475.25488	51.8
476.25851	6.5
477.23376	5.5
501.31949	1.6
519.09247	4.9
519.24231	4.5
519.32849	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	519.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03446	0.2
59.01383	7.0
59.11032	0.2
60.99310	0.4
61.98839	3.3
62.44857	0.2
71.01385	1.5
71.05029	0.7
71.62862	0.3
72.99308	0.9
73.02944	0.7
85.02950	0.9
87.00825	0.2
89.02473	0.3
89.03992	0.3
93.03440	0.2
101.02434	0.9
109.02936	0.7
113.02444	0.3
117.03469	31.2
118.03802	1.0
119.05028	9.6
121.02950	0.4
123.04555	0.5
133.02994	0.6
134.03757	0.5
134.06071	0.3
135.04546	3.6
143.05028	1.1
145.02956	100.0
146.03307	3.6
147.04514	0.3
159.04483	0.3
161.02437	2.0
161.04582	0.3
163.04012	13.0
164.04330	0.5
173.45232	0.2
179.03511	0.9
187.03996	2.0
197.04559	0.6
223.13460	0.6
269.07983	0.3
320.03333	0.3
339.05338	0.4
357.06216	0.6
365.08807	0.4
405.72546	0.2
407.29996	0.4
425.30698	0.5
441.29630	0.4
457.33548	0.5
459.30655	0.6
471.30640	0.4
501.32678	0.5
519.22418	34.1
519.33282	12.1
520.22675	4.2
520.33270	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	519.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46804	0.3
56.43961	0.2
59.01383	6.0
60.99298	0.4
61.98828	1.6
68.99811	0.3
69.03460	0.3
71.01384	1.5
71.05025	0.7
72.99310	0.7
73.02956	0.7
75.46914	0.3
83.01395	0.5
85.02959	1.3
86.29755	0.3
89.02441	0.3
101.02445	0.8
108.02126	0.4
109.02959	1.3
113.02460	0.8
117.03472	32.1
118.03812	1.0
119.04220	0.6
119.05034	10.0
120.05391	0.4
121.02953	0.7
123.04568	0.4
133.02937	1.2
134.03708	0.3
134.06207	0.3
135.04535	3.3
143.05020	1.2
145.02957	100.0
146.03305	3.8
161.02408	2.2
163.04019	13.3
164.04338	0.3
179.03506	1.2
187.03998	2.4
191.52881	0.3
197.04584	0.6
205.05086	0.4
223.13339	0.5
267.06509	0.4
269.08322	0.4
279.67667	0.3
332.15320	0.3
339.05054	0.8
355.26212	0.4
357.06183	0.9
365.08615	0.7
394.95624	0.3
407.29425	0.4
425.30823	0.4
439.32153	0.4
445.33313	0.4
457.33002	0.7
459.20313	0.4
459.30148	0.7
475.34213	0.4
477.30792	0.3
501.32294	0.7
519.22369	34.8
519.33197	15.4
520.22748	4.5
520.34045	1.7
538.93982	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	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01382	22.0
60.01699	0.4
61.98833	9.1
68.73540	0.3
71.01389	5.9
71.05023	1.6
71.64304	0.4
71.64680	0.4
72.93611	0.4
72.99318	1.6
73.02944	3.1
75.00838	0.4
82.61774	0.4
83.01382	1.3
85.02957	2.8
87.00863	0.7
87.04509	0.8
89.02447	1.1
89.03942	0.6
92.15370	0.3
93.03459	1.2
95.01385	0.4
96.73055	0.4
97.06614	0.5
99.00870	0.5
101.01837	0.6
101.02441	4.5
101.06075	1.2
108.02200	0.7
109.02961	6.2
113.02444	2.6
117.03468	31.1
118.03806	0.9
119.05033	10.1
120.05390	0.7
121.02988	0.7
121.09701	0.4
123.04511	2.0
133.02977	2.6
134.06172	0.5
135.04520	4.5
141.01978	0.5
143.05026	4.5
145.02956	100.0
146.03273	3.5
147.04541	1.0
148.05316	1.9
149.02470	1.9
151.04085	0.6
152.01155	0.6
153.01994	0.4
155.10808	0.4
159.03226	0.7
159.04506	2.4
161.02431	5.3
161.04620	0.8
161.06046	0.7
163.04018	12.4
163.07663	0.8
167.03465	1.7
175.03970	0.9
179.03494	1.8
187.04013	6.1
197.04668	0.6
203.03561	1.5
209.11826	1.0
227.16548	0.5
251.07239	0.4
254.05693	0.4
255.06619	0.4
269.08206	1.8
269.13919	2.9
278.02441	0.4
313.07166	1.5
315.25589	0.5
331.17102	0.4
339.05096	1.1
357.06097	6.8
358.06003	0.5
358.09802	0.5
365.08752	0.7
385.27078	0.5
399.23969	0.7
415.23395	0.8
433.24515	1.2
439.25146	0.4
439.32306	0.5
457.33286	3.5
459.20331	0.7
459.29807	2.7
471.30774	0.4
475.15915	1.0
475.17831	0.6
475.25446	9.0
475.31995	0.4
476.25806	1.0
477.21176	0.6
477.30768	1.7
501.32108	2.1
519.22449	34.0
519.33130	8.4
520.22577	4.1
520.33832	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	519.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96658	0.2
59.01384	5.8
61.70451	0.2
61.98822	0.3
69.01662	0.2
71.01384	1.5
72.99310	0.8
73.02950	1.2
83.01405	0.3
85.02938	0.4
89.02448	0.6
89.04006	0.3
93.03465	0.3
98.19830	0.5
101.02451	0.7
109.02956	0.5
112.46831	0.2
113.02440	0.5
117.03472	31.7
118.03804	1.0
119.05032	10.5
120.05382	0.3
121.02966	0.6
123.04531	0.6
124.12954	0.2
131.93089	0.2
133.02950	1.9
134.06139	0.3
135.04530	2.4
143.05026	0.4
145.02959	100.0
146.03299	3.5
147.04530	0.2
151.04016	0.3
151.91049	0.2
156.19777	0.2
161.02444	5.6
161.06160	0.3
162.02875	0.4
163.04013	16.9
164.04373	0.6
179.03513	1.4
187.04008	1.2
197.04587	0.6
203.03473	0.2
227.16605	0.3
229.44830	0.2
339.04669	0.3
357.06448	0.2
439.31253	0.4
457.32825	0.3
459.20050	1.4
475.25510	0.6
476.26355	0.2
477.21466	0.3
518.32166	2.0
519.22351	32.8
519.32709	7.3
520.22687	3.7
520.32880	0.6
529.18488	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	519.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01380	14.9
61.98832	3.2
65.26733	0.3
68.99819	0.5
69.57141	2.6
71.01382	3.6
71.04988	0.4
72.99317	1.8
73.02956	1.4
75.00881	0.5
83.01385	0.8
85.02982	1.7
87.00877	0.5
87.04511	2.2
89.02447	0.7
93.03444	0.6
99.04504	0.9
101.02441	1.8
101.06076	3.9
109.02972	3.9
113.02452	1.1
115.05600	0.4
116.92895	0.7
117.03465	32.2
118.03804	0.7
119.05025	11.5
121.02955	0.7
123.04514	0.5
133.02940	2.7
135.04539	3.4
143.05026	4.8
145.02950	100.0
146.03319	3.8
147.04489	0.7
148.05267	0.3
149.02473	0.5
149.84511	0.3
159.04471	1.7
161.01237	0.7
161.02444	6.6
162.02808	0.4
163.04008	12.4
165.12845	0.6
169.17566	0.4
175.03944	0.7
179.03500	1.3
187.04004	8.2
188.04396	0.5
197.04523	0.6
203.03505	1.4
205.05063	0.6
207.13930	0.9
209.11810	2.4
220.61462	0.3
225.15030	0.5
251.13020	0.5
263.09372	0.5
269.08102	2.0
269.13928	8.7
270.14359	0.6
280.03934	0.7
313.07138	0.8
335.66965	0.4
339.05032	1.4
357.06186	5.2
365.08618	0.7
415.23383	0.5
457.24203	0.5
457.33328	0.5
459.20172	1.4
459.29892	0.6
475.25540	3.9
519.22351	40.3
519.32166	1.3
520.22760	4.7
520.30475	0.5
520.33173	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	519.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71348	0.3
59.01380	23.1
61.98834	0.7
63.08391	0.3
64.30071	0.3
65.30540	0.3
68.99812	3.4
69.33121	2.7
71.01385	1.4
71.05031	0.4
71.19398	0.3
78.95894	0.5
83.01398	0.4
83.05042	0.3
85.02959	0.8
89.03944	0.3
93.03464	0.4
96.86533	0.3
101.02437	0.7
106.53165	0.3
108.22635	0.3
113.02441	0.5
115.05562	0.8
117.03467	35.9
118.03799	1.1
119.05025	22.3
120.05406	0.6
121.02962	0.5
123.60577	0.3
125.02565	0.4
133.02931	0.9
143.05028	23.5
144.05341	1.4
145.02953	100.0
146.03279	4.0
159.04430	0.4
161.02428	0.8
161.04929	0.3
161.06068	1.8
162.03247	0.7
163.04008	21.8
164.04318	0.6
185.06009	0.3
187.04007	40.4
188.04384	1.8
203.07155	1.8
205.05104	0.6
218.15804	0.3
228.19293	0.3
229.05045	1.0
291.19730	1.2
293.21378	0.6
399.18130	2.3
417.19122	1.0
435.20309	0.8
440.28680	0.6
441.29102	1.1
445.13348	0.3
455.31598	0.4
456.31894	1.0
457.32227	1.8
459.20273	5.2
462.47421	0.4
474.33038	0.6
475.33377	0.9
477.21274	2.5
478.21713	0.4
498.44110	0.4
501.31372	0.6
518.32037	5.8
519.22351	21.6
519.32300	10.4
520.22668	2.7
520.32605	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	519.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24358	0.2
57.01624	0.2
57.03458	0.1
59.01382	16.3
68.99818	3.7
69.46429	0.6
69.46853	0.7
71.01376	1.1
72.61668	0.1
73.02962	0.5
81.13139	0.2
83.01408	0.2
85.02955	0.9
89.04002	0.2
93.03452	0.5
95.66553	0.2
99.00901	0.2
101.02445	0.7
113.02462	0.3
115.05534	1.5
117.03469	36.6
118.03767	1.2
119.05026	16.0
120.05350	0.5
121.02958	0.6
127.11273	0.2
133.02968	0.7
135.04463	0.2
143.05028	29.1
144.05362	1.4
145.02954	100.0
146.03296	3.7
147.04488	0.3
159.04552	0.4
161.02480	0.9
161.04759	0.3
161.06079	1.0
162.03149	0.3
163.04012	11.3
164.04376	0.4
166.19269	0.2
187.04002	43.7
188.04321	1.6
227.07115	0.2
283.16922	0.3
289.16693	0.3
331.17624	0.5
399.17911	0.5
417.19034	0.5
459.20248	6.4
460.20526	0.7
477.21198	2.0
478.21323	0.2
519.22339	28.6
520.22729	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	519.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.8
61.98823	0.3
68.99800	0.3
71.01385	1.5
71.39626	0.4
72.99307	0.8
73.02952	1.2
83.01350	0.3
85.02936	0.3
89.02455	0.7
89.03978	0.4
91.24690	0.2
93.03444	0.2
101.02438	0.7
106.50397	0.2
109.02924	0.3
113.02435	0.4
115.05544	0.2
116.02642	0.2
117.03468	31.9
118.03802	0.9
119.05025	11.1
120.05362	0.5
121.02966	0.5
122.06126	1.0
123.04544	0.8
132.02087	0.3
133.02954	3.0
134.03674	0.3
134.06129	0.3
135.04530	2.3
143.05014	3.8
145.02953	100.0
146.03300	3.2
150.05527	0.3
152.07152	0.8
157.43452	0.2
161.02437	8.2
161.06108	0.9
162.02785	0.6
163.04008	15.8
164.04372	0.8
175.04016	0.2
179.03453	1.0
179.07138	0.3
187.04008	6.6
197.04561	0.6
205.05058	0.7
207.50868	0.2
223.06104	1.1
263.08228	0.3
264.09119	0.5
279.11401	1.0
307.08420	0.3
357.06055	0.4
365.08759	0.3
422.12823	0.3
439.31622	0.3
444.18912	0.6
459.20319	0.7
487.17047	0.4
488.18393	1.3
518.31958	1.1
519.22369	34.1
519.31976	2.5
520.22675	4.7
520.31622	0.3
520.33276	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	519.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01384	31.5
61.02958	0.7
61.98819	2.6
69.03457	2.9
71.01385	10.2
72.99300	1.9
73.02954	3.1
74.08412	0.7
81.03460	9.7
83.01379	2.2
83.05025	11.0
83.28385	0.8
85.02969	5.1
87.00885	1.7
89.02454	9.2
93.03458	3.1
95.01392	1.4
95.05035	21.1
101.02448	5.7
105.01933	0.7
107.05045	1.4
109.02956	4.6
109.06598	9.7
113.02478	5.4
119.03489	2.4
119.05064	1.2
121.02942	1.0
121.06584	1.6
123.04530	6.5
133.01433	1.2
133.06578	1.3
135.04524	3.7
135.06616	3.1
135.08179	7.5
137.02402	1.1
139.03946	0.8
141.05583	3.1
143.03571	1.1
145.02924	1.0
147.04515	3.0
149.06070	13.3
150.06419	0.7
151.03960	1.5
151.11214	1.0
152.03679	0.8
159.04512	2.0
159.08156	3.6
160.08502	0.8
161.02437	2.8
161.04565	1.2
161.06062	0.8
163.04044	1.1
165.05708	1.0
175.07661	3.7
177.02254	0.7
177.09212	43.7
178.09570	1.9
179.03458	1.3
179.05609	1.2
179.07123	2.2
187.37012	0.8
191.05580	1.5
193.04979	2.3
195.10283	4.4
201.14667	0.7
203.07347	0.9
221.08147	7.3
237.03967	4.5
239.09274	3.5
266.78543	0.8
269.08209	2.6
280.07211	0.9
281.04510	1.0
297.11844	3.3
313.07144	2.2
339.05142	2.6
399.84293	0.8
519.20782	100.0
520.21155	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	519.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.8
61.98827	2.9
65.83903	0.6
71.01383	1.6
71.65569	0.7
73.02959	0.6
73.81440	0.5
76.83480	0.5
79.79542	0.5
85.02959	0.7
89.02447	1.4
93.03473	0.9
95.05022	0.8
96.96007	1.1
101.02492	0.7
105.03493	1.5
108.02179	3.1
109.02956	96.7
110.03276	1.3
113.02454	1.0
115.05554	0.6
116.92863	5.4
119.03474	0.8
119.04996	0.9
121.02953	1.4
123.04533	2.7
130.04279	0.9
131.05031	2.3
133.02969	11.2
134.03629	0.8
135.04536	9.3
136.04706	0.6
137.02461	1.2
137.63332	0.7
145.02951	2.8
146.03755	1.4
147.04521	6.9
149.06000	0.7
150.03226	1.2
151.04016	1.2
158.03723	2.4
159.04517	36.6
160.04977	2.0
161.02449	6.9
161.04504	0.7
163.04016	1.6
173.06053	0.8
174.03197	0.7
175.03999	6.6
177.01901	2.3
179.03517	3.1
191.03470	1.0
198.06740	0.8
199.07573	1.2
203.03503	23.0
204.03757	1.5
223.07593	1.3
225.05565	1.9
226.06360	0.7
227.07074	0.7
237.05632	1.6
239.07132	1.3
241.08601	0.8
247.02481	1.8
249.05533	0.6
251.07037	2.8
252.07997	1.5
253.05087	1.9
254.05812	6.3
255.06526	2.0
267.06641	4.6
268.07486	1.1
269.08185	48.6
270.08469	3.9
291.63647	0.6
293.03940	0.6
295.06110	2.8
313.07153	21.3
314.07529	1.5
357.06149	100.0
358.06500	9.2
377.06393	0.6
431.13315	1.2
452.18073	0.7
455.97742	0.7
475.12686	0.8
519.10144	3.8
519.18011	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	519.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.5
61.98825	15.4
69.83870	6.2
71.01385	5.5
71.63097	6.2
109.02960	8.3
116.05068	7.9
123.04517	52.4
153.05559	100.0
203.08203	23.3
203.09998	5.3
315.04688	8.0
315.10812	34.0
354.54434	5.9
485.15860	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	519.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55448	0.5
55.59431	0.5
59.01389	3.2
61.98826	6.7
69.84698	1.8
69.85107	1.2
71.01387	1.5
72.99298	1.0
86.98758	0.5
89.02441	1.0
94.65921	0.5
95.61619	0.6
99.92621	0.6
100.98810	1.4
101.02448	1.3
105.03418	0.7
108.02177	1.0
109.02956	48.7
110.03302	1.4
113.02413	0.8
115.05513	0.6
116.92858	7.9
117.01890	0.5
119.03548	0.6
119.05045	1.5
121.02951	1.6
123.04519	3.7
129.03470	0.8
130.04277	0.6
131.05035	2.1
133.02943	10.8
133.03853	0.9
134.03714	0.6
135.04532	8.1
137.02440	0.7
139.07593	0.6
145.02969	4.7
146.03723	2.5
147.04524	12.7
147.05621	1.0
150.03262	0.6
151.04013	5.1
151.92957	0.5
158.03717	2.0
159.04510	16.5
160.04898	0.9
161.02449	23.8
161.04500	1.0
162.02907	0.8
163.03995	1.1
165.54622	0.5
173.02473	1.3
174.03185	1.3
175.02492	0.9
175.04002	13.5
177.01932	3.1
179.03493	9.5
180.03844	0.7
181.12086	0.5
182.37978	0.6
191.03528	0.8
203.03505	28.4
204.03677	1.1
225.05652	0.9
237.05650	0.7
239.07190	0.5
247.02527	1.4
251.07056	1.0
253.05109	0.9
254.05843	1.1
255.06636	19.1
256.07315	1.0
267.06604	1.5
269.08188	10.9
270.08698	0.7
281.04443	0.6
283.06131	1.4
285.07678	1.7
295.06128	1.8
313.07181	5.8
314.07504	0.7
318.45218	0.5
357.06149	100.0
358.06549	7.9
497.08026	0.5
519.11389	2.0
544.67767	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	519.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
59.01381	100.0
59.69897	0.6
60.01707	1.0
61.98831	14.3
66.37968	0.7
71.01383	7.5
71.62897	0.7
71.63245	0.8
72.99313	4.6
73.02965	2.1
76.48512	0.6
82.08625	0.7
83.01408	1.9
85.02964	2.6
89.02454	2.0
101.02451	5.4
109.02975	2.5
111.00875	0.6
111.84169	0.7
113.02446	3.2
117.02576	0.6
117.03487	1.4
119.03550	1.0
121.02959	0.9
123.04527	1.0
133.02951	5.3
134.03722	1.1
135.04518	9.2
145.02982	2.6
146.02524	0.8
147.04587	0.7
151.03981	1.1
159.04521	0.8
161.02444	13.5
161.04575	2.0
162.02779	2.7
163.04057	0.8
177.01869	1.1
179.03551	3.4
179.04996	0.7
179.50691	0.6
190.02782	0.7
191.05054	1.5
193.72569	0.7
197.04573	0.9
207.04570	1.9
219.04518	1.3
234.03299	2.0
235.04019	4.9
251.03467	11.1
252.04172	1.5
253.05101	1.0
262.02707	1.0
263.03448	5.9
264.04282	2.5
265.05008	5.3
266.02222	2.0
267.02969	9.4
267.05765	0.9
277.05014	1.3
279.02963	5.7
281.04553	9.5
291.03049	7.5
292.03519	1.0
293.04724	1.1
293.10355	1.2
294.10715	1.8
295.06030	1.0
307.02499	11.9
307.92972	0.8
308.03088	3.2
309.04028	22.7
310.04501	1.3
311.05612	1.3
320.03214	1.5
321.04138	2.5
339.05173	3.0
357.06134	8.9
357.13394	0.8
358.66977	0.7
399.08905	0.9
399.23874	7.5
417.25046	4.7
443.07849	5.6
456.13547	1.2
459.26065	2.5
475.25488	1.2
487.06723	2.5
518.31543	3.1
519.19141	1.0
519.33331	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	519.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97441	0.5
59.01382	3.2
59.16756	0.5
61.98828	2.3
71.01363	1.3
73.02940	0.7
73.94386	0.5
89.02449	1.0
96.96014	0.7
101.02386	0.9
108.02162	2.7
109.02953	98.0
110.03278	2.7
112.13575	0.6
115.05502	0.9
115.92072	0.7
116.92870	6.0
119.05096	0.6
121.02926	0.8
123.04552	1.5
129.03419	0.6
130.04207	0.8
131.05035	2.7
133.02950	9.1
135.03601	0.7
135.04544	9.2
137.02429	1.4
145.02945	2.4
146.03682	1.3
147.04524	7.1
150.03271	0.6
151.03957	0.9
153.07339	0.6
158.03767	1.0
159.04520	37.7
160.04955	1.6
161.02444	5.1
161.04504	0.6
163.04088	0.8
175.04015	6.5
177.01944	2.0
177.09128	0.6
179.03468	3.1
185.06105	0.7
191.03494	0.9
197.06078	1.2
198.06834	1.0
199.07652	1.3
203.03493	21.9
204.03822	2.3
211.07484	0.7
215.07509	0.6
222.06703	0.8
225.05623	0.8
227.07091	0.6
237.05450	1.3
239.07115	1.4
247.02403	2.8
249.05588	0.6
250.06360	0.8
251.07123	2.3
252.07826	0.7
253.05034	1.7
254.05864	5.3
255.06447	1.1
266.05780	0.7
267.06683	5.3
268.07220	1.1
269.08182	49.9
270.08582	4.7
277.05127	0.7
285.07590	0.6
295.06116	3.2
313.07153	21.3
314.07513	1.7
357.06140	100.0
358.06506	8.9
375.88571	0.6
431.13315	1.0
475.12555	0.9
519.11438	2.1
519.17834	0.8
520.12152	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	518.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55618	0.3
59.01380	19.9
60.01709	1.2
61.01794	0.4
61.98820	0.7
70.79398	0.8
72.99314	0.8
78.95905	64.4
82.05453	0.3
87.09607	0.3
96.96970	6.0
109.02916	0.4
133.02960	1.2
135.04500	2.4
150.98029	1.6
152.99585	100.0
153.99928	1.1
160.66574	0.4
161.02415	4.0
171.00644	2.9
178.56398	0.4
179.03479	3.0
249.18713	0.8
277.21756	1.1
283.13290	0.5
284.09888	1.0
301.14481	0.5
327.16028	0.6
398.45514	0.4
407.16992	0.5
431.21997	36.5
432.22409	4.2
518.25153	3.3
519.15308	0.5
519.25439	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	518.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
59.37823	0.2
61.98812	0.3
62.39889	0.3
63.31516	0.2
69.50205	1.7
78.95904	45.3
80.88331	0.2
96.96970	5.3
105.47786	0.2
109.45274	0.2
126.02818	0.2
131.12727	0.2
137.02136	0.2
150.98015	1.9
152.99586	100.0
153.99933	1.3
161.02437	0.3
166.19434	0.2
167.02193	0.3
171.00648	3.9
226.28357	0.3
240.02760	0.3
258.17560	0.3
274.59604	0.2
277.21710	1.0
281.46899	0.2
299.20392	0.2
312.05045	0.2
359.10770	0.2
419.75491	0.3
431.22028	21.6
432.22336	2.3
518.25232	3.4
518.32196	0.3
519.25452	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	518.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84214	0.5
57.03437	0.8
58.00561	0.5
59.01382	25.0
60.01673	0.5
61.98832	58.3
62.91298	0.4
68.99813	0.9
71.01384	10.0
71.65577	0.4
72.99319	2.6
73.02948	11.7
76.56562	0.4
77.97050	0.4
81.03438	0.5
83.01386	3.8
85.02957	2.6
87.00892	0.7
87.04527	2.0
89.02447	2.0
89.03977	0.5
93.03466	1.6
99.00883	0.5
99.04557	0.9
100.00298	0.5
101.02440	9.7
101.06086	3.6
108.02167	0.8
109.02962	4.5
113.02453	3.3
114.47866	0.4
114.95044	0.6
117.03469	33.5
119.03596	0.5
119.05025	11.5
121.02938	1.9
123.04533	2.6
129.05666	0.6
131.03488	0.5
133.02972	2.8
134.06171	0.5
135.04515	5.8
136.04813	0.6
139.03993	0.6
143.03436	0.7
143.03906	0.4
143.05037	4.8
145.02954	100.0
147.04544	0.8
148.05309	3.4
149.02429	3.1
151.04005	1.4
159.03055	0.5
159.04494	1.5
161.02438	9.0
161.04581	1.5
162.02861	1.1
163.02704	0.8
163.04018	12.5
163.07687	1.2
164.70872	0.5
165.12958	0.5
167.03511	2.3
175.04121	0.7
179.03513	2.2
187.04008	8.5
193.05217	0.4
203.03511	1.9
207.13831	3.2
209.11806	2.1
221.06625	0.5
221.15436	1.3
225.07909	0.5
225.15007	0.7
231.13895	0.7
242.01476	0.5
249.14926	1.8
251.12813	0.7
269.08075	1.5
269.13937	8.1
293.10394	1.1
309.04156	0.6
313.07224	1.0
339.05020	1.4
355.10318	0.5
356.10123	0.5
357.06174	5.3
365.08813	0.9
457.33325	1.2
459.20261	0.6
459.30112	1.1
475.16281	1.9
475.25552	4.1
477.21539	0.6
477.30530	0.7
501.32291	0.7
517.31732	0.5
518.19208	0.6
518.32281	2.5
519.22400	43.0
519.32996	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	518.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84214	0.5
57.03437	0.8
58.00561	0.5
59.01382	25.0
60.01673	0.5
61.98832	58.3
62.91298	0.4
68.99813	0.9
71.01384	10.0
71.65577	0.4
72.99319	2.6
73.02948	11.7
76.56562	0.4
77.97050	0.4
81.03438	0.5
83.01386	3.8
85.02957	2.6
87.00892	0.7
87.04527	2.0
89.02447	2.0
89.03977	0.5
93.03466	1.6
99.00883	0.5
99.04557	0.9
100.00298	0.5
101.02440	9.7
101.06086	3.6
108.02167	0.8
109.02962	4.5
113.02453	3.3
114.47866	0.4
114.95044	0.6
117.03469	33.5
119.03596	0.5
119.05025	11.5
121.02938	1.9
123.04533	2.6
129.05666	0.6
131.03488	0.5
133.02972	2.8
134.06171	0.5
135.04515	5.8
136.04813	0.6
139.03993	0.6
143.03436	0.7
143.03906	0.4
143.05037	4.8
145.02954	100.0
147.04544	0.8
148.05309	3.4
149.02429	3.1
151.04005	1.4
159.03055	0.5
159.04494	1.5
161.02438	9.0
161.04581	1.5
162.02861	1.1
163.02704	0.8
163.04018	12.5
163.07687	1.2
164.70872	0.5
165.12958	0.5
167.03511	2.3
175.04121	0.7
179.03513	2.2
187.04008	8.5
193.05217	0.4
203.03511	1.9
207.13831	3.2
209.11806	2.1
221.06625	0.5
221.15436	1.3
225.07909	0.5
225.15007	0.7
231.13895	0.7
242.01476	0.5
249.14926	1.8
251.12813	0.7
269.08075	1.5
269.13937	8.1
293.10394	1.1
309.04156	0.6
313.07224	1.0
339.05020	1.4
355.10318	0.5
356.10123	0.5
357.06174	5.3
365.08813	0.9
457.33325	1.2
459.20261	0.6
459.30112	1.1
475.16281	1.9
475.25552	4.1
477.21539	0.6
477.30530	0.7
501.32291	0.7
517.31732	0.5
518.19208	0.6
518.32281	2.5
519.22400	43.0
519.32996	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	518.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74906	0.5
57.81221	0.6
58.90958	0.6
59.01381	42.7
60.01712	1.3
61.98830	100.0
62.63911	0.5
64.94312	0.5
66.03030	0.5
70.68221	1.8
71.00999	0.8
71.01382	10.5
72.99312	0.6
72.99916	0.5
73.02949	10.9
83.01402	3.8
85.02979	2.2
87.00876	1.4
89.02452	3.4
95.35532	0.6
101.02444	15.4
101.03067	1.1
108.02174	0.6
110.87492	0.6
113.02444	5.8
117.03450	0.6
119.03521	1.7
119.05009	0.8
125.02462	1.0
131.03522	2.2
135.04538	3.6
137.09749	2.2
141.54526	0.6
143.03535	2.1
145.02991	1.8
146.03323	0.9
149.04539	2.6
155.03497	0.7
161.02495	0.8
161.04555	5.7
175.03981	0.9
179.05855	0.6
181.05138	1.2
203.05574	0.6
217.16481	0.6
221.06659	0.9
258.29529	0.5
333.05051	0.6
339.05109	2.9
507.97360	0.7
518.23462	1.7
519.09491	0.7
519.33081	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	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	46.9
61.98833	100.0
65.40465	1.0
70.96194	1.0
71.01389	8.1
73.02953	13.1
83.01399	2.5
85.02961	1.4
89.02449	3.4
95.01395	1.0
101.02452	15.1
113.02444	6.6
119.03523	2.8
131.03543	1.1
137.09717	3.2
143.03537	1.2
149.04512	2.3
161.04544	5.4
167.64482	0.9
203.05574	1.6
221.06535	1.0
348.02710	1.0
477.76614	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	518.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53857	0.9
57.03440	1.4
59.01383	100.0
60.01718	1.5
61.98832	45.6
71.01030	1.6
71.01389	15.8
72.99305	2.1
73.02945	6.4
74.02508	1.0
75.98091	0.9
83.01368	2.0
85.02971	5.8
87.00878	1.3
88.00115	1.0
89.02441	10.1
92.44552	1.0
97.02943	1.0
101.02448	12.7
101.06050	1.0
107.05014	1.2
109.02897	1.4
113.02449	15.1
114.02771	1.4
117.03468	1.9
118.73850	1.0
119.03504	3.8
119.05009	1.1
125.02434	1.2
131.03520	2.2
133.02904	1.3
134.03745	2.1
135.04544	48.9
136.04851	19.6
143.03471	2.1
145.02989	7.1
149.04529	1.5
161.02419	4.0
161.04562	6.6
161.09727	1.6
162.02730	1.7
162.10066	1.2
163.03990	1.6
172.68323	1.0
175.03978	1.3
179.03505	43.7
179.05148	2.2
180.03857	20.8
181.04218	0.9
187.11249	2.3
188.11635	1.8
217.19565	1.0
218.93335	1.0
219.55244	0.9
293.08810	1.5
294.09540	1.2
357.05927	1.7
379.06149	1.0
394.93646	1.1
411.20221	1.3
475.12308	1.8
518.23248	11.1
518.31250	1.6
519.25281	1.7
519.33301	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	518.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.1
61.98834	9.0
69.49044	10.2
71.31746	1.3
72.99308	62.6
97.06598	7.2
121.02958	4.2
123.04488	3.5
133.02954	19.3
134.03741	1.8
135.04524	7.4
137.02461	2.5
138.03099	1.3
146.03760	1.5
151.04068	2.5
159.04520	1.4
159.08090	1.4
161.02444	78.0
162.02783	5.4
163.30385	1.2
172.05324	2.2
173.06065	1.3
174.06850	1.4
175.07619	2.3
176.04784	1.9
178.02672	6.9
179.03468	4.3
187.07631	22.3
190.06328	6.7
201.05629	1.6
201.09145	2.0
202.06346	5.3
203.10699	2.5
205.08698	3.6
213.09198	4.8
215.07124	2.0
219.10228	20.4
231.10222	15.7
231.31509	1.4
275.09225	12.1
293.10306	100.0
294.10654	6.7
311.11359	1.8
330.07239	1.2
365.78329	1.3
399.23859	2.0
455.13434	35.1
456.13589	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	518.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.0
59.03575	1.0
61.98833	30.1
71.01385	7.1
71.05016	1.6
71.15238	2.0
72.99307	33.4
73.02950	4.1
85.02943	3.0
89.02454	2.4
96.96027	1.3
97.06609	1.4
99.92577	2.1
101.02448	5.5
109.02972	10.1
111.10253	1.2
113.02427	3.1
115.92075	3.9
116.92859	9.0
117.03452	6.5
119.03529	1.3
119.05003	3.5
121.02955	3.4
123.04511	3.7
132.02122	1.3
133.02960	25.4
134.03709	3.7
135.04524	22.4
136.04829	3.0
137.02449	3.6
145.02933	13.4
146.03340	4.3
147.04472	1.1
149.02469	2.4
150.03212	4.9
151.03925	3.2
159.04480	5.2
160.01718	2.4
161.02444	100.0
162.03230	18.0
163.03976	3.2
174.03236	2.0
175.03937	3.0
178.02667	3.7
179.03506	13.3
180.03809	2.1
187.04030	2.1
188.04834	1.3
191.10739	1.4
193.05003	2.4
194.05408	1.7
197.04547	2.6
203.03476	2.8
203.10707	2.9
205.08562	1.4
205.12402	1.2
207.13899	1.1
213.09172	2.7
216.07846	1.3
218.09494	1.2
219.10255	15.8
220.10608	1.4
231.10233	8.0
247.09879	1.6
249.11308	2.9
267.06757	1.4
269.08218	3.3
275.09210	3.4
293.10318	70.9
294.10678	5.4
309.04248	1.2
311.05524	1.6
313.07144	2.8
357.06094	11.2
398.36908	1.3
455.13547	27.6
455.19446	0.9
455.31506	1.3
456.13647	4.2
457.33231	5.0
459.29614	2.4
460.40933	1.2
475.25421	3.2
517.31439	4.8
518.24744	5.7
518.31915	4.4
519.11139	1.7
519.33600	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	517.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40484	0.4
58.53016	0.5
59.01382	6.0
61.98815	1.2
71.01372	0.8
71.46271	0.8
72.99310	0.7
73.02942	1.1
73.25750	0.4
75.05432	0.4
85.02934	0.5
119.08633	0.6
133.02931	0.5
135.04514	1.5
147.04472	0.4
161.02415	1.6
168.05724	0.5
179.03560	0.6
223.15131	0.4
357.25961	2.0
373.28989	7.0
374.29181	1.5
375.26968	0.6
381.79947	0.5
391.30139	3.8
397.27570	0.7
407.29431	1.1
419.29422	0.5
435.12686	0.5
437.30402	1.3
439.28192	1.0
442.44043	0.5
455.32596	2.2
457.19470	1.2
471.30972	1.2
473.27017	0.6
473.32794	1.4
485.32730	100.0
486.33133	13.4
499.30444	1.2
517.31134	22.1
518.31647	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	517.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98799	1.7
71.11098	1.5
71.11440	2.1
71.21003	1.1
78.95901	36.1
90.66113	1.1
96.96967	3.2
139.11380	1.1
152.99594	79.2
157.46979	1.1
171.00589	3.1
179.03568	1.5
189.88058	1.2
192.27620	1.1
202.74803	1.2
208.74229	1.2
275.38937	1.3
323.57288	1.4
333.28421	1.2
431.22000	21.6
457.33115	3.1
517.33972	3.7
518.24854	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	517.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98529	1.1
56.14482	1.0
59.01380	100.0
59.24234	0.9
69.41744	1.6
69.42151	7.2
102.25627	1.1
128.89615	1.0
142.09387	1.1
155.51506	1.2
162.93987	1.1
208.21698	1.0
328.96167	1.3
356.70255	1.1
457.32935	1.8
474.90567	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	517.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00158	0.6
59.01381	100.0
63.83123	0.6
70.41051	0.9
78.62554	0.6
93.72032	0.5
97.32922	0.5
102.67437	0.5
132.58456	0.5
135.04576	0.6
161.02505	1.5
179.03542	1.0
212.21208	0.6
260.74026	0.7
263.82190	0.6
285.92987	0.7
366.33347	0.6
372.08673	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	517.3174
Annotation	Bartogenic acid
Peak:m/z	Relative Intensity
57.03426	2.0
59.01382	32.6
61.98851	6.7
61.99104	1.5
70.06856	4.8
71.01371	4.7
71.05009	4.4
72.99301	2.8
73.02949	4.1
83.05039	2.7
85.02939	2.3
88.98788	1.5
90.14886	1.6
97.06570	1.4
101.02415	3.5
101.96054	1.4
107.04984	1.6
113.02433	2.4
113.24456	1.3
117.03452	2.8
133.02913	4.5
135.04491	5.3
145.02965	8.6
147.04509	3.1
161.02464	14.3
161.06058	4.5
163.11237	2.4
179.03493	3.9
187.04018	2.8
189.05571	2.1
207.10228	8.0
226.10603	1.4
255.93358	1.4
293.21304	2.0
309.07263	1.5
355.08252	3.9
377.28226	3.3
413.26904	2.0
419.29568	2.1
421.27396	2.7
437.30569	28.8
438.30627	4.8
439.14764	1.5
455.31641	15.0
456.32379	2.2
471.30371	1.6
473.32739	1.9
483.31094	7.8
485.31790	5.5
499.31158	8.6
517.31543	100.0
518.31982	15.9
527.15668	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	517.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.8
61.98834	3.2
62.22672	2.0
69.39066	4.4
69.39474	15.5
71.01379	7.1
71.05006	2.4
73.02941	8.8
81.36179	2.0
83.05015	3.7
98.20670	4.4
101.02459	4.3
109.06567	2.2
111.04463	2.1
119.05010	3.1
135.04575	2.4
143.08662	5.9
145.02921	4.8
147.04524	20.5
161.02432	7.4
161.06099	7.4
163.11290	3.6
179.03542	2.5
181.10262	2.3
183.11813	2.7
189.05531	2.7
207.10345	5.0
295.23041	2.4
343.20816	3.3
357.22128	3.3
359.23785	5.6
361.21634	4.0
369.15378	2.8
371.23798	2.5
373.25354	6.2
375.27151	12.0
377.24710	7.3
379.26245	3.4
387.26895	8.7
389.24570	20.2
389.29083	2.9
390.25098	2.8
391.26413	10.0
393.28085	3.3
397.25244	4.5
401.24664	10.8
405.22681	3.1
405.28012	62.8
406.28152	6.7
407.25974	43.7
408.26266	5.9
413.24948	2.6
417.28009	17.9
419.25858	32.9
421.27481	6.8
423.29053	4.3
425.30423	8.5
427.28384	6.0
435.28964	8.5
437.30600	98.4
438.30908	15.9
439.28549	45.5
440.28775	4.4
443.31522	7.3
451.28268	7.3
453.30194	38.3
454.30157	3.8
455.31647	32.4
456.31787	8.1
457.28995	3.1
469.29608	96.2
470.29916	13.8
471.31180	2.8
473.32840	21.8
485.29471	2.7
487.23483	3.8
487.30637	72.9
488.30933	10.9
517.20721	32.8
517.31421	100.0
518.21039	5.6
518.31604	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	517.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
58.32227	0.2
59.01382	5.3
59.74309	0.2
60.99308	0.4
61.48780	0.2
61.98838	1.2
71.01385	1.4
71.05028	2.6
71.65820	0.3
72.99316	1.1
73.02944	0.6
75.00867	0.3
83.05016	0.9
85.02958	0.4
86.73634	0.2
87.00867	0.2
89.02464	0.4
89.84182	0.2
101.02454	0.7
112.78429	0.2
113.02460	0.4
117.03450	0.9
118.35783	0.2
119.05021	0.4
121.02937	0.3
122.06122	0.2
123.04539	0.4
133.02948	1.5
134.03729	0.3
134.06076	0.3
135.04544	1.9
137.02408	0.3
145.02969	2.7
150.05603	0.8
151.03979	0.6
161.02441	5.1
163.03973	0.7
176.70552	0.2
178.02625	0.3
179.03481	1.3
187.60736	0.2
264.09006	0.2
279.11426	0.7
284.33316	0.2
293.10376	0.4
295.22705	0.5
313.23904	0.3
377.28470	1.2
378.28580	0.2
393.31863	0.4
395.29562	0.6
396.29892	0.2
397.31183	0.3
403.26089	0.2
411.32834	0.3
419.29468	0.6
421.27551	0.4
437.30637	10.5
438.30783	1.3
442.17847	0.3
453.29883	0.3
455.13443	0.5
455.31644	7.2
456.31985	1.0
457.27966	0.8
469.29404	0.3
471.30838	0.2
475.28955	1.0
486.16959	1.1
499.30670	0.7
517.31659	100.0
518.19373	0.5
518.32001	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	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14469	1.7
52.32529	1.9
54.46781	1.8
57.03440	2.9
59.01379	39.4
61.98826	3.3
68.01107	2.0
71.01381	3.5
71.05029	3.0
73.02921	3.5
73.98313	2.1
83.01388	2.5
83.36333	2.0
87.04516	54.0
89.02456	2.3
99.04553	3.5
101.02446	3.3
113.02400	3.5
116.70508	1.9
118.57045	1.8
123.04505	8.9
123.74092	2.1
135.04495	8.8
145.02908	3.6
146.99873	1.9
161.02422	3.9
179.03470	6.0
205.05104	3.8
207.17520	2.7
241.86775	2.2
242.76192	1.8
245.52657	2.1
264.18777	2.1
269.17563	100.0
270.17883	5.6
293.17618	12.2
326.65155	2.3
337.09555	3.3
368.97433	2.2
376.63895	2.4
455.31140	2.4
484.34863	2.0
499.30356	3.9
517.32056	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	517.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.8
61.98834	3.2
62.22672	2.0
69.39066	4.4
69.39474	15.5
71.01379	7.1
71.05006	2.4
73.02941	8.8
81.36179	2.0
83.05015	3.7
98.20670	4.4
101.02459	4.3
109.06567	2.2
111.04463	2.1
119.05010	3.1
135.04575	2.4
143.08662	5.9
145.02921	4.8
147.04524	20.5
161.02432	7.4
161.06099	7.4
163.11290	3.6
179.03542	2.5
181.10262	2.3
183.11813	2.7
189.05531	2.7
207.10345	5.0
295.23041	2.4
343.20816	3.3
357.22128	3.3
359.23785	5.6
361.21634	4.0
369.15378	2.8
371.23798	2.5
373.25354	6.2
375.27151	12.0
377.24710	7.3
379.26245	3.4
387.26895	8.7
389.24570	20.2
389.29083	2.9
390.25098	2.8
391.26413	10.0
393.28085	3.3
397.25244	4.5
401.24664	10.8
405.22681	3.1
405.28012	62.8
406.28152	6.7
407.25974	43.7
408.26266	5.9
413.24948	2.6
417.28009	17.9
419.25858	32.9
421.27481	6.8
423.29053	4.3
425.30423	8.5
427.28384	6.0
435.28964	8.5
437.30600	98.4
438.30908	15.9
439.28549	45.5
440.28775	4.4
443.31522	7.3
451.28268	7.3
453.30194	38.3
454.30157	3.8
455.31647	32.4
456.31787	8.1
457.28995	3.1
469.29608	96.2
470.29916	13.8
471.31180	2.8
473.32840	21.8
485.29471	2.7
487.23483	3.8
487.30637	72.9
488.30933	10.9
517.20721	32.8
517.31421	100.0
518.21039	5.6
518.31604	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	517.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.6
60.99300	1.1
61.98820	2.3
71.01379	2.4
71.05027	1.4
71.64226	0.7
71.64601	1.0
72.99308	1.3
73.02970	3.4
78.01412	0.6
83.05033	1.7
85.02927	0.7
101.02457	1.5
109.06603	0.9
116.92844	1.4
117.03503	0.8
119.08696	1.2
121.02958	15.5
123.04448	0.9
133.02925	2.0
135.04536	6.8
139.68898	0.8
143.08684	2.8
145.02945	1.4
161.02444	8.2
169.10214	1.3
171.11739	0.9
179.03493	4.0
181.06526	0.7
181.10170	0.9
183.11813	3.6
187.11276	1.6
225.05528	1.7
282.84830	0.7
283.05063	0.7
298.35440	0.9
313.07178	4.0
339.21188	2.0
343.24448	0.8
353.22760	1.7
355.20398	1.0
355.24265	3.9
357.22076	1.3
361.25757	0.9
369.21841	1.4
371.23657	2.0
371.27509	3.1
373.25375	3.2
374.25842	0.9
375.27222	1.1
379.26071	0.7
385.25479	1.9
387.22580	1.1
387.27246	3.7
389.24417	1.4
389.28629	2.1
391.26422	2.6
401.08792	10.0
401.24777	1.0
403.26434	6.6
405.28018	7.9
407.25433	4.3
417.27783	2.4
419.25964	3.0
421.27414	3.4
423.28851	2.2
425.30807	3.1
427.28574	3.0
435.29227	3.2
436.29376	1.0
437.30630	28.2
438.31073	4.5
439.28491	12.7
440.28943	1.3
443.31543	1.6
451.28659	3.4
453.30112	36.2
454.30405	4.3
455.31647	23.6
456.31906	3.6
457.28903	1.3
469.29593	26.7
470.30005	2.9
471.31134	2.5
473.32642	8.6
474.33005	1.5
481.29459	1.6
482.30179	0.9
483.27774	0.9
487.30734	10.9
488.30762	1.0
497.29004	2.3
499.30875	1.7
517.31683	100.0
518.19965	0.9
518.32086	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	517.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80639	0.5
52.23820	0.5
54.55964	0.5
57.03453	2.6
59.01383	59.8
61.98833	13.7
71.01385	14.0
71.62698	0.7
72.99331	1.1
73.02944	5.6
77.32504	0.6
79.05528	0.6
83.01389	2.5
83.05042	2.0
85.02968	5.1
87.00882	3.9
89.02453	6.3
95.01377	1.9
97.02987	0.6
97.06591	1.9
99.00896	1.7
101.02444	12.4
105.05608	1.4
107.05025	4.8
109.02956	1.1
113.02449	8.4
117.03457	4.2
119.03513	2.5
119.05033	1.6
120.05829	1.3
123.04565	0.8
125.02416	1.6
131.03514	1.1
132.02245	0.7
133.02965	3.9
134.03766	7.0
135.04529	96.1
136.04872	4.7
137.02458	1.4
143.03485	1.6
144.55379	0.6
145.02945	11.7
145.06706	0.7
148.05267	0.6
149.04576	1.5
149.06052	1.3
151.03969	0.8
159.03017	1.1
160.01663	2.3
161.02455	12.4
161.04507	6.5
161.09709	8.6
161.13351	4.7
162.02861	0.6
162.10001	0.8
163.04045	2.0
163.07512	0.6
163.11279	1.6
175.04008	1.8
178.02754	2.0
179.03500	100.0
179.10721	1.2
180.03851	4.8
187.11295	11.9
187.13002	0.5
188.11536	0.6
189.09193	7.9
190.09549	1.0
191.70007	0.6
193.05037	3.5
193.06572	0.6
194.05910	1.7
203.10829	1.2
205.12317	6.3
207.10350	2.7
209.08231	1.7
221.04506	0.7
233.06679	0.9
249.11250	5.7
267.10562	5.7
281.04376	1.3
293.08820	1.0
307.08243	5.7
311.05557	0.8
323.07620	4.3
333.52145	0.6
337.09232	1.1
373.14798	0.8
438.90411	0.6
473.14505	0.8
499.14554	0.8
499.21799	1.0
517.13916	4.8
517.22906	44.2
517.31006	2.4
518.15320	1.1
518.23138	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	517.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56809	1.0
59.01381	74.7
61.98822	2.4
69.45311	5.9
69.45706	2.1
71.01379	11.6
72.99302	3.1
73.02945	4.0
74.39462	1.0
85.02951	2.4
87.00871	2.7
88.16902	1.2
89.02446	1.2
99.00898	1.9
101.02443	4.6
109.06616	1.0
113.02425	2.5
115.05511	2.1
117.03451	5.0
117.68642	1.1
119.05025	3.5
121.02971	1.8
123.04539	1.9
131.05031	3.1
133.02934	1.6
133.06567	1.4
135.04544	5.4
145.02954	12.2
145.06667	1.2
147.04523	84.8
148.04855	5.0
161.02475	5.9
161.06088	26.0
162.06467	1.3
163.04001	4.0
163.11305	6.4
164.04753	2.2
175.03941	1.7
179.03502	3.3
179.07074	1.4
187.04103	1.0
189.05537	4.2
207.10258	19.7
253.18217	1.4
304.89462	1.3
337.09109	1.7
369.15497	17.1
437.30405	1.5
455.31876	4.9
517.20740	100.0
517.31403	32.8
518.21100	15.4
518.31866	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	517.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	59.4
60.01710	0.9
61.98812	1.3
71.01380	6.6
72.99326	0.6
73.02943	2.0
83.01394	0.9
85.02950	1.7
87.00864	2.2
89.02470	1.2
98.19828	1.6
101.02443	4.3
103.05515	0.8
113.02472	1.4
115.05531	0.9
117.03395	0.8
119.05048	1.6
123.04575	0.7
131.05060	3.2
133.06573	2.2
135.04546	1.1
145.02937	2.8
145.06570	1.6
145.10286	0.7
147.04527	71.2
148.04863	3.3
161.02437	2.5
161.06094	27.5
162.06393	0.9
163.03937	1.0
163.11261	5.5
189.05562	6.2
193.69014	0.7
207.08298	1.1
207.10262	18.1
208.10559	1.0
220.58902	0.7
369.15536	12.7
370.15781	1.2
405.28238	0.8
455.31293	1.1
455.41000	0.8
517.20795	100.0
518.21124	11.5
544.05664	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	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
58.00591	0.7
58.21101	0.5
59.01382	66.5
60.01707	0.7
61.98813	2.5
69.03437	1.0
69.69847	3.7
71.01385	10.6
71.05020	0.7
72.99307	2.9
73.02950	2.8
81.03460	4.2
83.01364	1.6
83.05028	4.7
85.02954	4.1
87.00886	1.1
88.98811	1.7
89.02448	7.9
90.05944	0.6
93.03462	1.9
95.01411	0.6
95.05027	6.0
96.59235	0.7
97.02962	0.6
97.06582	1.2
99.00873	0.6
99.04498	0.6
99.92582	0.9
101.02443	9.0
109.02962	5.3
109.06594	8.4
111.04533	4.9
113.02464	5.4
115.00362	0.8
115.04010	1.1
115.92120	0.6
116.92834	2.9
118.73402	0.6
119.03569	3.1
119.05035	5.7
123.04514	2.4
123.08153	1.4
127.00348	0.8
131.03412	0.6
133.02950	1.5
133.05069	5.2
134.03650	0.6
135.04539	5.6
135.08150	6.9
136.04877	0.6
141.05595	5.6
148.04050	2.7
151.11266	0.9
159.08125	1.7
161.02461	9.0
161.04478	1.0
163.03986	2.5
164.01160	0.6
166.05090	1.4
175.03964	0.8
175.07672	0.7
175.11249	1.6
177.09209	17.8
178.09618	1.0
179.03503	7.4
179.05028	0.8
179.05646	0.8
179.07126	1.0
185.92030	0.6
192.03032	1.5
193.01369	1.4
195.10265	20.7
197.04549	2.1
203.07175	0.8
210.04070	1.4
219.10292	2.8
221.08189	5.1
239.09242	35.3
240.09581	1.9
257.08228	1.3
263.09198	3.7
267.00989	0.7
281.10336	1.3
293.04358	0.6
295.10355	19.5
296.10617	1.2
311.11441	0.7
341.12543	4.4
354.29001	0.6
359.07758	1.6
381.02267	0.6
383.12949	0.7
401.14542	4.0
499.18353	0.7
517.19250	100.0
517.31683	4.0
518.19489	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	517.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
59.01378	62.7
69.03455	3.1
71.01382	8.3
71.23615	2.6
72.99312	1.5
73.02951	2.6
81.03453	6.7
83.01378	2.5
83.05036	8.9
85.02956	14.3
87.00906	1.5
89.02436	3.2
93.03460	2.7
95.05022	18.0
96.96009	2.5
97.02956	2.0
101.02450	4.7
109.02940	6.8
109.06594	14.7
111.04521	3.7
112.96319	1.1
113.02433	4.0
122.46799	1.2
123.04552	3.9
123.08167	1.2
127.04025	1.0
131.03462	1.2
135.04518	1.3
135.08144	9.6
136.58438	1.0
137.06041	2.1
141.05576	7.9
149.49083	1.1
151.11218	1.3
159.08168	2.9
161.02409	2.6
161.04553	1.5
175.04025	1.1
175.07634	3.9
175.11212	1.7
177.09198	38.8
178.09554	1.7
179.03606	1.3
179.07008	1.3
180.06602	1.8
195.10234	26.0
196.10643	1.7
203.07065	1.7
219.10211	3.9
221.08223	8.4
239.09247	100.0
240.09605	3.5
253.04881	1.1
263.09283	4.8
281.10214	4.4
301.11749	1.7
311.11368	5.3
341.12390	25.1
342.12772	1.7
401.14539	19.2
402.15036	2.7
443.15567	22.1
444.15900	2.1
470.84009	1.0
499.18958	1.4
517.19373	22.5
518.19171	3.2
522.56750	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	517.1558
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
59.01377	13.1
60.37994	1.1
61.98839	1.8
69.39230	8.1
71.01382	13.0
72.99300	2.3
73.02941	1.5
85.02943	4.4
86.70886	0.9
87.00878	8.3
89.02435	8.9
95.01396	2.5
96.96011	1.9
99.00909	1.5
101.02444	8.2
107.05048	1.4
108.02143	1.1
109.02918	1.2
113.02464	5.0
117.03469	2.7
119.03498	1.7
125.02457	2.7
132.02171	18.8
133.02933	3.6
134.03740	60.3
135.04439	3.5
137.02473	1.6
141.01955	1.8
143.03493	1.3
147.04492	3.0
148.05234	1.0
149.06105	7.6
160.01659	85.9
161.02263	3.3
161.04518	7.2
163.03954	1.3
166.02678	1.3
173.06078	1.5
175.03999	100.0
176.04691	8.1
177.01921	1.8
178.02673	4.2
179.03474	12.8
179.05602	9.6
180.03894	1.1
181.04980	1.8
191.07104	12.0
193.05055	87.0
194.05409	3.9
198.71185	1.1
207.06589	4.3
223.06210	1.1
235.06119	30.3
236.06654	1.5
265.07132	7.6
295.08188	9.8
296.08487	1.5
323.09814	4.1
337.08569	3.9
341.10898	1.9
355.10361	3.7
406.14401	1.1
473.48599	1.1
517.15613	73.0
518.15985	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	517.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89175	0.8
57.03413	1.0
59.01382	73.2
61.98838	4.4
65.97195	0.9
71.01385	10.1
71.62778	1.4
72.99318	2.1
73.02962	4.2
79.79270	0.9
83.01402	1.9
85.02951	3.5
87.00849	1.9
89.02455	4.9
99.92576	2.0
101.02461	7.4
113.02453	6.3
115.92072	3.4
116.92863	11.4
117.03439	2.1
119.03493	3.1
119.05007	1.9
120.99654	2.1
125.02474	1.2
132.02167	19.6
133.03009	4.1
134.03748	20.1
135.04546	10.8
137.02504	1.6
143.03543	1.6
145.02931	5.2
146.03743	35.9
147.04221	1.4
149.04517	0.8
149.06082	4.8
160.01657	85.7
161.02415	6.0
161.04578	2.3
161.06070	10.6
163.03998	1.7
164.04790	23.2
165.05385	1.4
175.04002	100.0
176.04335	4.7
177.01929	7.6
178.02336	3.7
179.03520	2.9
179.07133	32.1
180.07465	0.9
187.11179	1.0
189.09167	1.5
191.07021	1.2
193.05058	17.2
194.05368	1.3
197.04707	1.0
217.05020	2.5
233.57867	1.1
235.06232	1.0
249.05568	1.0
249.11397	1.0
264.04263	1.1
293.04651	1.2
337.03635	2.4
337.09296	87.6
338.09592	7.8
355.24570	1.1
397.22415	2.0
407.29324	1.1
455.31644	6.0
457.24509	1.2
469.29285	1.5
473.32843	1.2
499.30630	5.1
517.10345	1.7
517.17157	29.0
517.22681	3.2
517.31610	29.3
518.17328	4.8
518.32092	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	516.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13885	1.2
59.01380	44.5
61.98831	100.0
69.41600	12.0
71.01389	15.0
73.02946	20.9
83.01384	5.3
85.02930	2.8
87.00902	1.4
89.02440	6.8
101.02447	19.5
104.00218	1.4
107.84192	1.3
109.06647	1.6
113.02440	5.1
119.03472	1.8
125.02430	3.1
126.90508	1.4
131.03493	2.2
134.03680	3.5
135.04524	47.1
148.05289	3.0
149.04590	3.7
160.01653	2.0
161.04546	6.2
171.08173	3.6
175.03951	2.9
179.03494	36.5
187.11282	59.0
188.11620	4.6
233.06654	2.5
248.80090	1.5
283.05096	1.3
291.46539	1.7
293.08783	3.8
294.25967	1.5
316.10931	1.7
337.09384	9.2
341.08771	2.0
473.14426	2.1
517.22485	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	516.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95570	0.4
56.43233	0.3
59.01387	0.9
60.36861	0.3
61.98831	100.0
62.31731	0.3
70.36633	1.0
71.01392	1.1
71.05017	0.5
72.99324	0.4
78.95908	0.3
88.04029	0.3
89.02444	0.7
96.96034	0.5
101.02441	0.6
103.92052	0.3
108.02188	1.0
109.02976	0.6
113.02452	0.5
127.05132	0.6
128.03575	0.4
135.04538	0.4
141.87730	0.3
145.06206	0.7
146.08208	0.4
152.01180	0.8
153.01920	0.4
160.01743	0.4
175.02583	0.4
175.03995	0.7
179.03508	0.5
239.05438	0.4
242.63104	0.4
324.17447	0.4
359.09839	0.4
400.00891	0.7
516.16412	2.7
516.23608	0.7
517.16888	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	517.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	66.8
59.66305	0.4
60.01707	0.9
61.98839	2.2
69.31971	4.4
90.97140	1.1
108.17377	0.4
118.96672	0.6
132.98183	2.3
157.03568	1.1
169.96585	0.4
174.99246	28.0
201.02509	8.0
202.02628	0.7
217.00296	100.0
218.00606	2.2
233.15506	0.8
256.72272	0.4
343.03604	0.9
359.01431	12.9
360.01703	1.3
371.34583	0.5
372.25504	0.4
374.99203	58.3
375.99615	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	517.0986
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
59.01380	47.3
61.98827	5.4
69.46419	9.3
69.46844	4.2
71.01373	9.4
72.99312	3.5
73.02940	2.7
85.02952	2.9
86.84823	1.8
87.00877	2.6
89.02437	2.9
89.90005	1.9
93.03443	2.2
99.00851	2.2
101.02448	5.0
103.01365	1.7
113.02464	3.1
115.00384	5.0
115.92123	2.7
116.92861	8.6
117.03475	14.3
119.03556	1.8
119.05042	2.9
121.02934	3.3
123.04523	2.6
125.02444	2.2
127.00384	13.9
130.08752	3.6
133.02957	6.3
135.04529	32.3
137.02422	1.9
145.02901	3.0
149.02493	3.2
157.01459	3.0
159.04521	4.1
161.02454	22.6
163.00479	1.6
163.04024	7.8
165.02098	1.9
175.03993	4.2
177.09126	1.7
179.03481	18.4
191.03394	3.3
193.05157	2.3
197.04558	4.9
215.07074	2.2
241.05135	4.7
242.05850	6.1
257.08136	7.9
259.04700	2.8
268.03683	2.0
269.04434	4.4
271.09818	4.9
281.04507	6.1
282.05228	2.5
283.06122	49.7
284.06369	3.9
293.04578	3.4
295.06244	2.6
311.05634	100.0
312.05859	5.0
314.04672	2.0
323.05423	8.9
337.09262	3.0
341.06638	11.6
348.01447	1.6
359.07776	3.0
413.08771	22.6
473.10803	59.0
474.11102	7.7
517.24329	3.9
517.31891	16.2
520.14111	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	516.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00662	0.8
57.03443	1.1
59.01381	91.0
60.01706	1.1
61.98832	100.0
69.03442	1.6
71.01392	4.8
71.65475	1.4
72.99309	2.3
73.02943	4.9
75.00890	2.6
83.01418	1.4
85.02956	3.7
86.00092	2.6
87.00872	6.4
87.04522	3.2
89.02448	3.1
93.03496	0.9
95.01395	1.4
99.00889	2.7
101.02429	8.1
102.98573	3.4
107.05016	1.1
109.06551	1.1
111.00871	2.0
111.04514	2.0
113.02452	8.5
121.06618	1.1
131.07413	1.1
133.02966	7.2
134.03717	1.6
135.04518	19.2
137.09726	6.5
141.01997	1.1
145.02988	1.9
159.02979	2.2
160.01605	1.4
161.02448	22.2
161.04599	2.6
161.09689	1.9
161.13370	1.2
162.02728	1.7
175.03954	1.9
179.03505	12.2
180.03780	1.3
187.11284	2.0
189.12868	2.4
197.04591	1.0
201.04071	1.8
205.12372	1.7
207.10271	0.9
207.13876	5.7
223.13564	1.6
249.06200	1.5
249.11382	1.2
249.14810	2.0
251.12775	1.7
265.14560	1.3
267.06815	1.2
267.15906	2.7
268.12503	1.2
269.13947	6.3
281.17575	3.3
283.04980	4.1
323.07742	1.0
337.09360	1.1
455.30688	1.2
517.13788	2.4
517.22791	7.0
517.31628	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	516.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.7
61.98829	4.5
62.07353	0.3
69.03471	0.4
69.28281	0.3
70.02982	0.9
71.01384	6.4
71.05024	8.3
72.99302	0.5
73.02981	0.4
75.00885	0.4
75.60667	0.3
78.91902	0.6
85.02945	1.2
88.04047	6.6
93.03446	0.5
95.01368	0.5
96.95988	0.5
97.02982	0.4
99.04525	3.3
107.04985	0.6
108.02177	29.8
109.02974	11.6
109.03653	0.3
113.02464	0.4
116.07194	1.0
116.26596	0.4
116.92834	0.5
121.02972	0.9
121.75422	0.3
123.00891	0.8
123.04507	0.6
133.02928	0.6
134.03719	0.6
135.00786	0.4
135.04530	2.3
146.07077	0.8
146.08232	12.9
151.04007	1.8
152.01155	40.7
153.01950	13.5
154.02290	0.8
160.01660	0.6
163.04015	2.7
165.01965	0.9
175.03990	1.5
179.03461	1.1
193.05132	0.5
218.10342	1.7
249.53632	0.4
297.06143	2.1
297.09036	0.4
313.81183	0.4
315.07266	2.5
369.08279	5.4
405.88165	0.4
516.17212	100.0
517.17474	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	515.3377
Annotation	Nanjiol B
Peak:m/z	Relative Intensity
59.01381	100.0
60.01732	0.6
65.16698	0.3
70.54807	0.6
70.55148	0.4
71.05030	0.6
73.02946	0.5
73.84627	0.3
87.65199	0.3
145.66219	0.3
338.93738	0.3
391.26459	0.4
407.29712	0.6
425.30939	0.3
437.30234	0.3
441.30164	1.0
443.27505	0.3
455.31628	4.0
456.31897	0.5
473.32703	1.0
499.30560	0.4
515.33813	13.4
516.34167	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	515.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39541	0.2
58.48463	0.2
59.01382	100.0
60.01718	0.9
69.34467	1.5
69.34892	0.6
71.05039	0.3
73.02950	0.3
88.68834	0.2
118.87100	0.2
121.95686	0.2
145.02905	0.3
152.08466	0.3
161.02512	0.7
200.99580	0.3
212.07114	0.2
215.20039	0.2
224.03172	0.2
224.86082	0.2
389.24973	0.4
401.17035	0.2
407.29724	0.4
409.31622	0.5
419.29547	3.5
420.30106	0.5
437.30719	0.9
441.30164	0.6
455.31641	5.7
456.32144	0.7
471.31024	1.3
472.31723	0.4
515.30591	1.6
516.30145	0.3
535.91895	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	515.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01721	0.8
71.47767	0.4
77.26421	0.4
84.75981	0.4
104.64864	0.4
161.02501	0.4
229.37578	0.4
237.92140	0.4
288.85654	0.4
406.10831	0.5
455.31836	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09588	0.1
55.01893	0.2
57.03447	0.1
58.00620	0.2
59.01381	4.4
67.35683	0.1
71.01383	3.8
71.65761	0.1
71.66208	0.2
72.99320	0.2
73.02943	0.9
75.00916	0.1
83.01385	0.6
83.40454	0.1
85.02956	0.8
87.00897	0.4
89.02454	3.0
91.04070	0.1
95.01422	0.3
97.02957	0.2
99.00912	0.3
101.02444	3.8
103.03956	0.1
113.02459	1.7
115.04044	0.1
119.03519	0.9
131.03532	0.1
133.05074	0.3
143.03490	0.3
161.02519	0.1
161.04572	1.3
179.05620	0.5
235.08258	0.9
253.09291	13.3
254.09669	0.4
261.22223	0.3
279.23282	100.0
280.23627	7.9
375.81586	0.1
515.34210	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	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.4
58.00611	0.2
58.66710	0.1
59.01378	4.5
66.26377	0.1
68.92112	0.1
69.03479	0.1
71.01386	3.7
71.35931	0.2
72.99313	0.3
73.02943	0.8
81.03474	0.2
83.01395	0.5
85.02946	1.0
87.00865	0.6
89.02444	3.5
89.02969	0.2
91.04028	0.1
95.01418	0.3
99.00897	0.2
101.02446	3.6
103.03990	0.1
107.06588	0.1
113.02444	1.8
115.04056	0.1
119.03529	0.7
125.02477	0.2
131.03471	0.1
133.05083	0.3
143.03517	0.3
149.04620	0.1
157.05028	0.1
160.23799	0.1
161.04547	1.5
179.05569	0.5
235.08223	0.9
253.09282	14.6
254.09679	0.5
261.22217	0.2
279.23273	100.0
280.23624	8.4
285.81061	0.1
473.04047	0.1
515.32605	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	515.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54870	0.3
55.01860	1.1
56.29950	0.3
57.03446	2.1
58.00579	0.8
59.01380	30.6
61.98806	0.6
66.82885	0.3
66.83254	0.3
67.95905	0.3
69.03436	0.6
69.28481	0.3
69.97166	0.2
71.01382	13.6
71.05008	0.7
72.99332	1.6
73.02950	5.1
75.00872	0.5
83.01383	2.5
83.16682	0.3
84.69956	0.3
85.02951	6.9
86.00094	0.8
87.00874	3.6
87.04516	3.3
89.02446	3.1
95.01393	1.7
97.02954	0.7
97.06535	0.4
98.19809	0.7
99.00875	1.5
101.02448	8.2
101.06096	0.7
111.00874	0.5
113.02447	4.9
119.03484	1.1
125.02425	1.1
133.02940	0.6
134.03712	0.3
135.04500	1.0
143.03426	0.4
145.02972	0.5
153.82993	0.3
161.02443	1.9
161.04541	0.7
177.59280	0.3
179.03465	0.9
180.03777	0.4
223.17018	16.2
224.17439	0.7
235.16968	1.9
251.16548	0.4
253.17998	0.5
275.20132	2.6
293.21219	7.2
294.21445	0.5
298.74316	0.3
311.22253	17.8
312.22702	1.6
335.22321	0.3
455.19946	0.5
455.26462	14.7
456.26614	1.6
473.27545	24.9
474.27972	3.0
497.28323	1.8
515.28717	100.0
516.29065	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	515.2859
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01866	0.9
57.03445	1.7
58.00584	0.7
59.01382	30.2
59.18438	0.2
61.98836	0.5
65.65447	0.3
69.03447	0.7
70.06909	0.3
71.01384	13.4
71.05017	1.1
72.99318	1.5
73.02952	6.6
75.00861	0.9
81.03448	0.2
83.01389	2.8
85.02954	6.9
86.00091	1.0
87.00878	4.5
87.04515	3.9
89.02451	3.5
90.02786	0.2
95.01391	1.1
97.02966	0.7
98.20628	0.6
99.00878	1.9
99.04488	0.5
101.02448	9.8
101.06105	0.6
102.55844	0.2
111.00896	0.5
112.01630	0.4
113.02445	4.4
114.88509	0.2
119.03539	1.2
124.01669	0.5
125.02405	0.8
125.15020	0.3
133.02924	0.5
134.03651	0.3
135.04544	1.6
143.03514	0.3
145.02933	0.6
161.02426	2.0
161.04469	0.6
163.04088	0.2
178.02798	0.3
179.03464	0.9
195.13928	0.2
209.15440	0.3
223.17032	17.4
224.17374	0.9
231.21024	0.3
235.17050	1.9
251.16321	0.2
253.18025	0.5
275.20126	2.5
276.20517	0.4
277.21744	0.3
293.21246	7.2
294.21582	0.5
309.20679	0.3
311.22272	18.2
312.22629	1.9
313.23703	0.3
335.22226	0.5
435.28998	0.8
437.25543	0.4
439.28375	0.7
453.29755	0.4
455.19934	0.4
455.26501	15.2
456.27029	2.0
473.27548	25.9
474.27951	3.2
497.28653	2.1
498.28802	0.3
515.28766	100.0
516.29053	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	515.3017
Annotation	8beta,9alpha-Dihydroganoderic acid J
Peak:m/z	Relative Intensity
51.46793	0.5
52.45581	0.4
57.03428	1.8
59.01097	0.6
59.01378	12.5
60.99291	1.2
61.98831	1.1
71.01366	1.6
71.05007	1.3
72.99288	1.0
73.02953	3.3
75.00877	0.8
77.28426	0.4
83.05026	1.2
85.02957	1.3
87.00863	0.7
95.05010	2.3
98.19886	1.5
113.06088	5.4
126.90426	0.6
133.02956	0.9
135.04492	1.2
145.02956	0.5
161.02478	2.4
171.10304	1.3
179.03391	0.6
233.46001	0.5
293.21094	1.5
309.25974	0.9
351.63022	0.5
361.25208	1.0
371.27646	0.6
375.26965	0.9
377.28281	0.9
379.26349	1.3
389.28296	0.8
391.26279	1.6
399.26596	0.9
401.26941	4.0
405.27670	1.3
407.29797	0.9
409.31140	9.0
410.31516	1.7
413.24594	0.8
415.26297	1.3
417.28082	3.0
419.25851	4.4
423.29233	0.7
427.31995	2.0
431.26035	0.8
433.27298	1.6
435.28934	5.3
449.26715	0.7
451.28482	3.3
452.28687	0.8
453.30127	5.6
455.26474	1.4
467.27924	2.6
469.29535	0.8
471.31149	26.5
472.31363	4.0
473.27014	1.3
483.31207	7.8
484.31332	1.1
485.29004	1.2
497.28732	2.4
498.29620	0.7
515.29993	100.0
516.30304	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	515.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85440	0.3
59.01092	0.5
59.01381	8.9
71.01385	4.0
72.99308	0.5
73.02943	6.4
81.03459	0.3
83.01394	1.1
85.02951	1.0
97.00764	0.3
97.06587	0.5
99.08127	0.3
99.63570	0.3
101.02441	4.2
106.67268	0.3
113.02489	0.8
118.72500	0.3
121.02934	1.1
121.03774	0.3
122.03731	1.0
125.02439	0.7
126.03216	0.4
133.03030	0.3
135.04523	1.1
149.04472	0.4
161.02408	1.7
161.04539	0.3
162.97075	0.3
164.08447	0.4
167.14410	3.3
168.04309	0.3
188.84850	0.3
193.16002	1.2
207.17532	1.0
223.17039	0.4
223.20680	2.2
231.17590	0.8
233.15462	0.6
241.30992	0.3
247.16951	0.4
249.18582	9.4
249.21085	0.6
250.19116	0.5
251.20181	0.7
263.20068	0.6
267.19632	90.0
268.19995	7.1
275.16519	10.6
275.19641	0.4
276.16644	0.7
277.18231	0.3
279.19397	0.4
281.21210	0.9
291.19711	0.5
293.17578	48.2
294.17892	3.8
295.19186	0.8
307.19208	3.0
308.50098	0.3
309.20639	0.7
311.18625	100.0
312.18982	7.8
317.17606	0.7
335.18637	1.6
353.19632	6.5
354.20215	0.4
515.24634	9.6
516.25269	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	515.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.3
58.00585	1.5
59.01383	53.2
61.98817	3.0
69.03444	1.3
71.01382	26.5
72.99308	2.7
73.02947	22.2
83.01392	7.1
85.02948	4.1
87.00858	2.9
87.04529	1.1
88.80485	1.0
89.02441	4.3
91.10735	0.9
97.02911	1.0
101.02453	16.4
112.15114	0.8
113.02460	6.3
113.03093	1.1
118.18330	0.9
121.02908	1.2
123.04528	1.3
125.02462	1.5
133.02979	5.0
135.04529	7.0
137.02475	1.3
138.58521	0.9
149.02463	5.0
161.02435	13.2
161.04504	1.6
162.02748	1.5
163.48561	0.9
179.03525	2.6
183.13895	5.6
197.04578	1.1
203.07828	0.9
214.25830	0.9
223.17010	2.4
229.62637	1.1
235.17041	3.4
263.50107	0.9
267.06659	1.2
275.20151	6.1
293.21216	17.2
294.21478	2.1
311.22278	6.4
317.21027	1.1
455.26508	8.1
471.30811	2.8
473.27505	13.6
474.27560	1.8
515.28699	100.0
516.29041	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	515.2864
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
50.56379	0.2
55.01881	0.4
57.03447	0.3
58.00598	0.4
59.01380	100.0
60.01713	0.8
61.98837	0.4
69.03471	0.4
69.40473	2.1
71.01383	15.0
72.99303	1.5
73.02950	14.4
81.03458	0.2
83.01387	4.2
85.02950	3.3
87.00883	0.5
89.02442	5.9
89.95706	0.2
92.11698	0.2
95.01368	1.1
97.02983	0.4
99.00890	0.5
101.02445	12.1
113.02452	5.0
119.03488	1.8
125.02449	0.6
131.03520	0.6
133.02942	0.8
135.03638	0.2
135.04497	1.4
143.03514	0.7
145.02930	0.2
149.04576	0.4
155.03510	0.4
161.02451	2.3
161.04559	1.0
179.03502	0.7
185.34483	0.2
197.04515	0.4
275.20105	0.6
293.21246	3.6
311.05560	0.3
344.18112	0.2
395.23962	0.3
413.25381	0.8
437.25543	0.5
455.26508	2.8
456.26932	0.4
473.20755	0.4
473.27563	5.5
474.27756	0.7
497.27548	6.2
498.27939	1.0
515.28595	93.7
516.28949	11.8
516.36902	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	515.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
56.00790	1.3
59.01382	72.3
61.98835	5.6
70.02966	2.0
70.80819	3.6
71.01381	16.6
71.17570	1.2
72.99306	11.0
73.02952	3.1
73.91972	1.4
74.02462	6.0
79.24943	1.3
81.03457	3.0
83.01389	2.8
83.05014	3.1
85.02945	5.5
85.06572	1.5
87.00875	3.4
89.02441	14.7
95.05009	2.5
96.96015	1.9
97.04076	11.7
99.00858	2.0
99.04501	2.2
101.02457	12.8
105.03500	2.8
108.68486	1.4
109.02922	3.7
113.02440	8.2
117.03470	4.6
119.03489	5.6
119.05023	2.9
123.04493	6.8
132.02141	2.6
133.02957	37.6
134.03735	3.5
135.04530	24.7
136.04817	2.1
137.02415	1.9
143.05002	2.2
144.68887	1.5
145.02968	15.4
148.01625	1.6
149.00629	1.5
149.02451	2.8
158.06061	1.7
161.02451	100.0
161.04533	2.9
161.09703	2.9
161.13362	2.6
162.02776	4.7
163.03943	3.0
164.01778	2.3
175.14914	1.7
176.01765	10.3
177.01933	64.8
178.02246	2.4
179.03484	16.6
187.11307	6.7
189.09212	3.6
190.03386	8.7
192.04865	14.4
197.04536	2.9
204.04881	6.2
205.12361	2.7
207.06651	2.9
207.10355	2.1
213.06650	1.7
220.04277	5.0
223.13333	1.7
238.01704	1.8
239.96765	1.6
247.05434	21.3
249.11334	2.8
262.01733	2.3
263.04858	4.2
265.09283	14.9
267.15994	35.8
268.16367	2.5
280.02869	5.3
291.04413	6.5
309.05511	39.7
310.05713	3.9
339.07214	3.3
353.04440	35.7
354.04605	1.6
395.20462	2.0
428.67139	2.0
471.22449	2.1
515.06689	10.0
515.21344	34.7
515.29822	8.7
516.21899	3.3
516.31274	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	515.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96008	3.3
59.01390	22.5
61.98834	55.1
69.52438	29.4
71.01376	32.0
73.02954	11.1
81.02058	2.9
83.01404	5.8
85.02953	14.3
89.02453	23.9
93.59841	3.4
96.96023	6.5
99.00894	5.6
101.02445	22.6
105.01933	3.7
109.02966	9.6
113.02464	13.3
115.50845	3.8
119.03493	7.1
125.02480	5.7
131.07130	3.7
135.04459	3.4
159.21834	3.9
161.04532	5.4
161.11882	4.5
177.05595	3.6
189.05608	5.7
273.98364	4.2
323.17178	14.9
350.64862	5.0
455.21286	100.0
456.21896	8.6
515.21802	5.6
516.17291	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	515.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03447	3.7
59.01382	55.0
61.98826	2.7
63.14902	1.0
65.73196	0.8
68.99824	1.1
69.03463	2.8
71.01369	7.0
71.62917	1.2
72.99304	1.6
73.02947	7.9
75.00868	0.8
81.03442	2.2
83.01401	1.6
83.05051	2.0
85.02951	12.7
87.00851	4.4
89.02456	1.4
95.01395	2.3
95.05058	2.5
97.02941	2.8
97.06615	1.3
99.00894	1.9
99.92564	1.1
101.02451	5.0
107.28866	0.8
109.06602	3.3
111.00890	4.8
113.02445	9.4
116.92892	4.4
123.04515	1.3
129.01944	6.7
133.02914	1.4
135.04529	4.1
135.08163	2.2
137.02449	1.4
141.01945	35.1
141.05580	3.4
145.03018	1.3
151.11324	1.7
155.40111	0.8
159.02995	46.6
160.03395	1.2
161.02441	3.2
161.04547	1.1
163.04028	2.2
177.09183	5.9
179.03464	1.8
195.10277	21.6
213.65871	0.9
221.08109	2.8
221.10365	0.8
221.15421	1.2
239.09250	100.0
240.09607	3.7
267.16006	31.7
268.16302	2.5
281.17383	1.7
363.11060	1.2
381.11911	33.6
382.12204	3.1
515.17065	2.6
515.21234	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	515.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01091	2.2
59.01378	34.5
61.98821	3.0
71.01379	2.9
72.99294	2.7
73.02950	5.7
85.02951	5.6
87.00879	4.8
89.02444	1.5
93.03500	1.7
95.01446	2.0
95.05039	2.0
99.04586	1.7
101.02447	3.0
109.02995	2.7
109.06595	2.4
113.02469	5.8
114.30271	1.7
116.92847	2.9
119.05003	3.7
123.04462	2.8
126.83781	1.5
129.01941	3.0
133.02869	1.4
135.04497	4.7
137.02419	2.2
141.01950	12.6
159.02992	13.3
161.02419	5.5
163.04022	5.2
177.09145	3.7
179.03506	2.1
195.10207	5.3
203.14401	5.1
221.15390	3.4
239.09250	27.9
254.68825	1.5
267.16022	100.0
268.16342	10.2
281.17609	7.6
309.17072	3.4
381.11942	9.4
513.88678	1.5
515.17639	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	515.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.3
61.98831	6.8
69.45543	4.3
69.45968	1.9
70.02998	0.9
71.01393	3.1
72.20786	0.7
72.99310	22.2
73.02955	1.1
74.02494	2.3
74.34157	0.8
85.02958	0.9
85.42780	0.8
87.00894	0.8
87.79723	0.8
89.02464	1.3
89.90154	0.8
97.01196	2.2
97.04076	2.0
100.00404	14.0
101.02453	2.6
105.03429	0.9
107.05024	1.1
109.02949	1.4
113.02458	2.2
116.05065	1.3
123.04501	1.1
132.02249	1.1
133.02963	27.8
134.03719	1.4
135.04521	34.2
136.02257	1.2
136.04866	1.9
139.02219	2.9
145.03027	1.6
147.52097	0.8
150.01448	1.2
151.02242	3.1
152.01762	2.9
154.03325	1.6
161.02446	100.0
162.02783	5.4
163.01042	1.5
163.04041	1.5
164.01762	4.6
165.02606	1.3
170.06129	0.9
174.05548	1.3
176.01750	9.4
177.02214	1.0
178.03323	13.0
179.03516	29.4
180.04919	2.5
189.02536	1.9
190.03336	7.6
192.04892	13.2
197.04510	2.4
201.06784	2.1
202.03151	1.0
204.04866	6.0
207.03619	0.8
208.04372	1.7
219.03481	1.9
220.00664	6.4
220.04323	3.1
234.02380	2.1
235.05466	44.8
236.03871	3.6
236.05832	1.9
247.05472	5.8
248.03902	3.1
249.06215	0.9
263.02606	2.4
264.03296	2.0
267.06589	0.9
279.01370	1.4
279.04443	30.0
280.04788	2.6
288.05136	1.0
291.04456	45.6
292.04916	2.1
309.05493	24.9
309.09131	1.1
310.05978	1.2
311.05588	1.7
317.02124	1.1
329.40948	0.8
333.72046	0.8
335.03479	13.2
339.96393	0.9
353.04474	46.0
354.04886	2.9
359.07474	1.2
401.92426	0.9
497.06693	1.1
507.26364	0.9
515.07672	17.2
515.20227	1.7
515.28986	1.0
516.08044	2.1
516.24298	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	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65631	0.1
53.67833	0.0
53.73700	0.1
55.01875	0.4
56.92808	0.0
57.03461	0.2
58.00595	0.3
59.01379	6.6
60.01711	0.1
61.18038	0.1
69.03477	0.1
69.49034	0.4
71.01382	5.0
72.01744	0.1
72.99297	0.3
73.02946	1.1
73.03328	0.1
75.30454	0.0
83.01385	0.6
83.05052	0.2
85.02950	1.2
85.03424	0.1
87.00867	0.6
89.02448	3.8
91.04024	0.1
95.01394	0.4
97.02962	0.2
98.19935	0.1
99.00907	0.3
101.02444	4.6
102.02774	0.1
103.04050	0.2
111.00858	0.1
111.04566	0.1
113.02451	2.3
114.02779	0.1
115.04021	0.1
119.03498	1.2
125.02474	0.1
127.07641	0.3
129.02000	0.1
131.03502	0.2
133.05080	0.4
141.09094	0.1
143.03513	0.4
145.05035	0.1
149.04601	0.1
157.05016	0.1
157.24171	0.1
161.04558	1.7
174.98442	0.1
176.79471	0.1
179.05626	0.6
182.13358	0.1
205.19659	0.1
233.22676	0.3
234.23053	0.1
235.08218	1.2
253.09283	16.9
254.09663	0.7
259.20670	0.4
275.20093	0.3
277.21710	100.0
278.22046	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71313	0.1
50.99881	0.1
52.89605	0.1
55.01880	0.3
57.03460	0.2
58.00617	0.2
59.01379	5.5
61.98845	0.1
70.15829	0.1
71.01382	5.0
71.66521	0.1
72.99309	0.2
73.02948	1.1
73.43713	0.1
83.01381	0.5
83.05051	0.2
85.02946	1.2
87.00877	0.7
89.02444	3.8
91.04030	0.2
95.01418	0.3
97.02953	0.2
99.00866	0.4
99.04557	0.1
101.02441	4.7
102.02786	0.1
103.04056	0.1
113.02448	2.1
113.06057	0.1
119.03496	0.9
119.04295	0.1
125.02473	0.2
127.07649	0.2
131.03519	0.2
133.05057	0.4
143.03500	0.4
157.05072	0.1
161.04570	1.8
179.05641	0.5
187.06102	0.1
205.19594	0.1
233.22766	0.3
235.08228	1.0
253.09279	16.0
254.09680	0.6
259.20590	0.4
275.20074	0.4
277.21701	100.0
278.22040	8.3
491.62778	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	514.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62476	0.1
54.44095	0.1
59.01372	0.5
61.98833	100.0
66.10037	0.1
67.33228	0.1
69.44770	0.5
69.45203	0.3
78.87734	0.1
85.76131	0.1
98.20583	0.2
135.04510	0.1
161.02505	0.2
225.47255	0.1
246.87720	0.1
271.34354	0.1
324.00366	0.1
514.32538	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	513.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	0.7
59.01380	68.6
60.01726	1.0
60.99317	1.2
61.98828	0.7
62.19575	0.5
62.20348	0.4
62.33926	0.5
64.83525	0.5
69.33920	5.3
71.01384	10.5
72.99296	0.7
73.02948	11.5
73.03336	0.9
73.82908	0.6
75.00869	4.2
83.01377	2.8
85.02959	2.5
89.02457	4.2
95.01411	0.7
96.41422	0.5
96.95997	1.5
99.00870	0.9
101.02451	8.0
113.02464	3.3
116.33256	0.5
117.03464	15.7
119.03490	0.5
119.05009	3.5
133.03035	0.8
135.04509	1.8
137.02444	4.3
138.02805	1.7
143.03580	0.6
143.04991	2.5
145.02953	46.6
146.03297	2.1
158.06923	0.5
161.02422	2.4
161.04533	1.0
161.09656	0.6
163.03999	3.5
179.03435	1.2
181.10246	0.5
187.04063	2.5
229.19464	0.6
291.19739	4.1
311.05649	0.7
311.22366	0.7
347.58804	0.5
355.24347	0.7
359.23795	2.3
371.27609	1.0
375.26892	3.8
376.27179	0.5
377.24631	1.0
389.28644	0.7
393.28192	2.0
399.23981	0.6
403.26315	1.3
405.28015	1.0
415.26340	0.8
421.27588	0.9
433.27481	6.3
434.27838	1.1
435.25397	3.5
436.25497	0.7
437.26883	0.8
450.27628	9.2
451.28494	50.7
452.28918	6.9
453.15433	0.8
453.24606	2.8
467.28152	0.7
469.29562	34.2
470.29895	4.6
471.25943	3.0
483.27487	1.1
495.26117	6.2
513.17889	7.4
513.27655	100.0
514.18494	1.0
514.28101	12.8
534.00330	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	513.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.5
68.99822	4.2
69.70256	0.6
69.70670	1.5
71.01381	2.5
72.99306	0.4
73.02958	1.0
85.02951	1.4
87.00876	0.4
93.03474	0.8
97.02954	0.3
101.02454	1.0
112.23072	0.4
113.02469	1.1
115.05508	1.9
117.03468	34.4
118.03816	1.4
119.05025	21.9
120.05360	0.6
121.02944	0.9
133.02956	1.0
135.04494	0.8
143.05026	33.1
143.92470	0.3
144.05365	1.4
145.02951	100.0
146.03282	4.8
147.04428	0.7
148.05304	24.2
149.05797	1.0
158.03708	0.4
159.04486	0.9
161.02469	1.6
161.04555	1.8
161.06079	2.0
163.04005	15.9
163.07646	11.7
164.04332	0.7
164.07932	0.4
186.46523	0.3
187.03999	50.1
188.04355	2.8
197.06197	0.3
205.05084	1.2
215.06895	0.4
271.06357	0.4
280.48471	0.3
289.07211	0.8
291.19736	0.7
307.08154	2.4
309.20398	0.5
349.09259	13.8
349.13623	0.6
350.09467	0.9
357.05823	0.4
435.99664	0.3
453.15558	7.1
454.16025	1.1
469.24759	0.4
471.16519	2.6
487.69827	0.4
513.17676	20.2
513.27191	2.7
514.18195	2.1
514.25769	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	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	52.6
69.03445	2.6
69.34396	13.9
71.01392	18.6
72.29800	1.3
73.02930	3.3
76.13976	1.5
81.03461	8.9
82.44117	1.5
83.01360	3.3
83.05029	12.2
85.02966	9.0
85.76645	1.3
89.02463	9.5
93.03463	3.2
95.05033	21.5
99.00923	1.5
99.04491	2.9
101.02439	12.8
107.05054	1.8
107.77701	1.3
108.02196	1.6
109.02913	3.7
109.06596	13.0
113.02448	7.5
119.03479	4.9
123.04530	7.7
130.08734	2.3
133.28177	1.4
135.04520	5.1
135.08191	7.8
141.05556	3.1
152.01160	2.0
159.08148	3.2
161.02425	3.7
161.04526	2.9
175.07628	4.5
177.09213	44.4
179.03398	2.0
179.07101	2.2
195.10211	4.2
205.57629	1.5
207.10278	3.4
221.08194	7.4
231.39507	1.5
239.09268	14.0
247.11909	4.6
291.10883	30.6
292.11127	1.8
341.12473	3.2
352.17151	1.4
387.16522	9.1
401.15097	1.9
469.20721	5.2
495.18936	6.9
496.18646	1.6
513.19794	100.0
514.20093	11.9
537.56586	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	513.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13355	5.1
54.98850	4.5
58.00590	5.7
59.01382	81.8
61.98829	14.1
64.76895	4.8
69.53661	27.2
69.54072	8.6
71.01389	60.1
72.99309	8.2
73.02946	17.5
78.85152	4.6
85.02950	13.7
89.02451	100.0
96.93680	4.8
96.95969	5.2
99.00876	24.3
101.02451	54.4
113.02402	10.4
118.21901	5.5
119.03538	7.9
131.03520	16.8
137.02428	5.0
143.03537	7.2
149.04538	70.7
182.73639	5.1
182.89940	5.1
191.05635	13.8
221.06650	10.6
237.49481	5.4
251.07762	6.6
274.39932	5.0
293.08789	9.7
311.09964	7.1
321.15634	7.0
453.19669	13.5
514.17041	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	513.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82034	4.2
58.00603	6.9
59.01384	88.6
61.98832	72.3
67.25424	4.2
70.85249	13.4
71.01385	74.6
72.99306	6.2
73.02953	17.4
77.39783	4.6
85.02959	16.5
89.02451	100.0
96.96011	9.9
99.00912	26.7
101.02452	53.0
109.02967	9.9
113.02448	21.8
116.05049	8.5
119.03547	11.5
122.06126	9.9
131.03493	18.4
135.04530	7.7
143.03561	6.1
149.04562	96.2
153.01935	8.1
161.02441	10.7
161.04584	8.6
161.07216	16.4
165.01894	9.5
167.06242	7.0
169.07724	14.3
171.89462	5.9
191.05621	15.4
195.06667	14.5
221.06635	10.4
247.08698	11.9
261.10385	13.2
263.11890	37.7
267.06726	5.6
290.13037	48.6
293.08871	5.6
296.16943	4.7
341.13614	14.2
353.13556	8.5
441.16812	6.4
470.19464	35.7
514.18097	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	511.3062
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
55.01869	0.8
59.01365	1.1
98.19823	0.7
98.78567	0.3
133.02969	0.5
161.02409	1.0
171.98273	0.5
240.28918	0.4
300.05093	0.3
314.00412	0.3
361.25253	0.5
363.27158	2.5
395.29559	0.7
423.29126	0.7
435.28723	0.5
471.34412	0.4
511.30634	100.0
512.30969	14.3
514.54285	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	512.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45760	0.4
56.13734	0.4
59.01386	4.1
59.17321	0.4
61.98836	9.0
69.77651	0.3
71.01363	0.9
71.40992	0.6
71.41321	0.4
73.02960	0.8
101.02460	0.7
103.07992	0.4
108.02171	0.6
109.02952	1.7
113.02402	0.6
121.02924	0.5
133.02946	3.6
135.04507	1.5
136.01680	1.0
137.02448	100.0
138.02779	3.0
145.02927	0.4
149.02477	2.3
150.03244	0.4
161.02449	14.1
162.02797	0.6
179.03516	3.1
239.07173	0.6
250.06299	0.5
267.06586	9.3
268.07004	0.9
269.04486	1.5
283.06149	0.9
291.19742	0.8
299.05606	7.7
300.06018	0.5
311.05603	10.0
311.22195	0.4
312.06021	0.5
343.30511	0.4
355.97800	0.5
369.07462	0.4
422.52277	0.4
437.06348	0.4
449.08713	1.9
471.25818	0.4
513.27161	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	512.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.8
61.98829	16.2
69.56841	2.6
78.95921	0.4
109.93168	0.4
132.02164	1.1
133.02957	25.5
134.03278	1.1
135.04463	0.7
149.02451	2.2
149.06119	0.5
150.03235	3.9
151.03625	0.5
159.04506	0.6
161.02440	100.0
162.02791	3.5
174.03188	5.8
175.04056	2.4
179.03534	0.5
187.04031	0.6
200.04779	0.7
218.05774	2.5
243.10278	3.4
245.11760	1.1
269.11905	0.9
287.12863	6.7
292.07330	0.8
334.60504	0.4
336.10040	1.1
357.87234	0.4
361.14609	0.5
405.17188	1.4
448.95392	0.4
449.15970	6.4
450.16507	0.7
484.93610	0.4
534.28455	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	513.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.7
61.45169	0.4
61.98838	0.7
68.99820	8.1
69.03458	0.6
69.48285	2.5
71.01383	4.8
72.99309	1.3
73.02949	3.0
83.01397	1.0
85.02934	1.8
89.02454	2.0
93.03506	0.6
94.01004	0.3
95.01376	0.6
101.02434	3.0
107.01339	0.4
109.02977	0.9
113.02455	3.2
115.05542	4.6
116.92834	0.9
117.03468	37.2
118.03822	1.2
119.05026	26.8
120.05397	1.1
121.02945	0.8
123.04494	0.3
126.04643	0.4
131.05058	0.6
133.02957	2.6
135.04517	3.0
135.06561	0.3
136.04890	0.6
138.47470	0.3
141.98650	0.4
143.05028	65.5
144.05356	3.1
145.02954	97.6
146.03293	3.4
149.02390	0.6
149.04539	0.5
159.04483	1.4
161.02454	5.4
161.04544	0.9
161.06087	2.6
163.04007	16.9
164.04323	0.7
179.03499	1.6
187.04002	100.0
188.04312	4.7
205.05003	0.7
221.06544	0.4
223.06175	0.8
267.06549	0.7
270.43884	0.5
291.19589	1.6
302.51913	0.4
311.05405	0.6
311.22339	0.5
325.12976	0.6
359.07770	0.5
393.12515	0.8
411.14493	0.8
453.15552	6.6
454.16177	0.6
471.16547	3.4
471.26010	0.9
480.40982	0.4
513.17529	25.6
513.27142	6.5
514.17853	3.0
514.27325	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	509.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41422	7.5
59.01379	53.0
61.98813	13.1
69.03470	15.0
70.82019	19.0
71.05021	35.4
72.99310	19.2
77.09508	8.7
80.59427	8.0
90.66560	8.6
104.79118	7.9
106.88805	10.2
109.02924	8.3
121.02956	25.8
133.02930	35.5
134.03694	13.1
135.04524	62.3
145.02946	16.8
149.02452	20.0
161.02441	100.0
175.07578	10.9
177.09114	14.0
179.03511	34.2
197.04521	30.0
209.11758	18.4
221.08194	85.3
221.10344	12.0
227.07144	22.5
267.06564	25.7
271.15604	10.3
283.06152	11.2
311.05463	28.0
359.07175	13.1
426.41287	10.5
510.84174	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	511.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.0
71.01381	1.3
72.99317	0.6
73.02963	0.7
84.93886	0.2
85.02971	0.4
89.02427	0.3
91.86431	0.2
96.96009	1.1
98.95596	0.6
99.92583	13.8
100.92652	0.5
100.93365	1.5
101.02452	0.5
103.00390	0.7
104.67532	0.2
109.02971	0.3
113.02464	0.5
114.94926	0.3
115.92081	25.4
116.92860	100.0
117.92870	4.6
117.93648	0.2
123.04549	0.6
133.02943	0.8
135.04517	0.9
137.02519	0.4
140.92906	0.6
141.93610	0.5
142.94395	1.8
142.95316	0.2
145.03012	0.5
145.81941	0.3
146.75742	0.2
148.05299	1.1
149.06053	0.2
150.06830	0.3
156.92381	0.7
158.93918	0.7
161.02441	3.1
162.02780	1.0
163.07614	0.9
173.92667	0.3
174.93408	0.5
179.03500	0.9
179.10808	0.3
180.03839	0.5
184.91820	1.1
184.95447	0.6
186.93420	0.3
196.95430	0.6
197.04575	0.5
207.94803	0.3
220.23309	0.2
224.94933	0.4
225.95749	0.3
226.96538	0.3
230.01924	0.3
231.98389	0.7
242.96082	1.1
243.96791	0.3
278.99667	0.7
284.97122	0.3
285.98077	0.3
320.92520	0.3
361.08649	0.3
389.03299	0.5
407.04373	2.4
408.04590	0.4
425.05392	2.6
426.05701	0.6
437.05606	0.6
439.23544	0.3
449.05652	1.3
451.23645	0.4
467.06497	2.9
468.06714	0.5
475.03275	1.4
481.24481	0.6
484.13864	0.3
493.04431	0.3
501.33261	0.2
511.05493	7.5
511.36517	0.6
512.05536	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	511.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87579	3.2
57.21676	3.1
59.01382	49.9
61.98834	14.7
65.65159	3.8
71.01382	18.3
71.63091	5.4
73.02966	6.1
83.38434	3.2
85.02938	5.5
89.02467	7.6
93.03458	6.4
99.76229	3.4
101.02441	8.0
108.02222	5.2
109.02966	12.1
111.04530	4.2
113.02412	6.7
115.30563	3.2
117.03471	28.2
119.05035	11.5
121.02971	9.4
121.06626	4.7
123.04527	7.4
125.06112	6.7
127.04055	6.1
133.02965	4.5
135.04529	11.7
137.02429	7.6
139.07695	9.5
145.02966	100.0
146.03328	5.2
151.07651	20.0
152.08430	9.9
153.09164	4.6
161.02473	16.2
163.04027	28.3
163.11183	3.6
165.05508	3.7
179.03513	8.4
201.12833	8.2
203.10735	5.7
204.11598	6.9
205.49010	3.7
219.13908	15.2
245.11798	7.2
246.12663	7.9
247.13445	20.0
259.03296	3.6
263.12817	32.6
263.78235	3.4
287.12891	7.7
305.13974	4.6
319.06311	3.8
387.16757	28.4
511.22250	37.1
511.29211	6.4
512.22626	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	509.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.89883	20.9
69.90290	65.9
70.57146	13.3
78.95921	16.5
93.62732	13.3
161.02344	19.7
178.75406	15.0
179.91110	13.7
207.10518	13.0
209.11827	33.1
238.44427	13.6
243.32942	13.5
285.71637	15.1
295.22809	55.8
354.78629	14.4
403.67496	13.7
412.83594	16.2
484.88287	15.6
491.24146	28.1
509.30551	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98820	42.5
65.12608	11.4
71.01411	12.1
71.62973	20.2
113.02464	10.7
133.02930	16.0
135.04504	46.3
161.02438	42.6
162.06828	36.6
177.09155	19.8
201.01707	12.8
209.11842	21.9
232.21078	11.8
295.31824	12.6
509.29321	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	509.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25042	17.9
69.38895	100.0
69.39323	82.6
79.01772	18.3
79.82488	19.9
110.85487	19.0
126.05712	22.8
151.66620	22.3
276.68726	28.5
292.97000	23.0
311.23688	19.4
509.30273	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35810	0.3
59.01378	4.7
60.68657	0.3
61.98834	1.0
69.31187	3.0
71.01385	1.6
72.99318	1.3
73.02944	1.0
75.02367	0.3
80.96511	1.2
83.01376	0.3
88.11872	0.3
89.02418	0.6
93.03451	0.6
93.38548	0.3
94.98077	0.4
95.05006	0.3
98.02502	0.6
98.19916	0.7
101.02454	0.7
107.05028	0.6
108.02190	0.4
109.02953	1.4
117.03468	1.4
119.05032	0.8
121.02961	0.5
123.04524	2.3
132.02211	0.4
133.02954	4.6
134.03735	1.5
135.04526	79.0
136.04849	3.1
137.02438	4.3
145.02974	3.3
146.03331	0.3
149.02435	1.4
151.03973	0.4
152.07159	0.3
161.02440	23.1
162.02794	1.0
163.04016	0.8
167.03471	0.3
177.01988	0.7
179.03494	100.0
180.03824	4.4
197.04637	0.8
267.06689	1.6
283.06006	0.4
297.07635	0.7
311.05591	13.2
312.05853	1.3
313.12076	0.4
331.08163	0.5
341.06619	2.9
359.07434	0.4
367.73236	0.3
397.10181	0.3
508.28436	1.4
509.10309	0.5
509.17615	2.0
509.28888	0.6
510.20029	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	509.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71349	0.7
54.95375	0.6
55.99076	0.6
59.01383	4.3
60.31912	0.6
61.98835	1.9
69.66144	4.7
71.01387	1.4
72.99310	13.5
77.93253	0.7
92.99435	0.6
98.19862	1.1
99.19936	0.7
101.02407	0.7
109.02956	3.9
115.92094	0.8
116.13364	0.9
116.92845	1.6
117.03474	2.3
119.05011	0.9
121.02953	1.5
123.04514	5.5
132.02194	0.8
133.02957	20.5
134.03760	1.1
135.04526	60.8
136.04854	1.6
137.02444	1.7
145.02956	5.9
149.02440	7.7
150.03221	2.4
161.02448	100.0
162.02765	3.7
163.04015	0.7
173.89268	0.6
179.03496	33.4
180.03731	0.8
181.05069	0.8
197.04539	19.3
197.06346	0.9
198.05003	0.7
248.85692	0.7
250.06279	0.9
267.06589	12.4
268.07019	1.3
283.06198	1.9
311.05643	16.0
312.06122	1.9
347.07379	0.8
352.55524	0.7
359.07758	25.5
360.08051	1.9
509.11282	0.7
509.20367	2.2
517.35107	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	509.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79247	0.7
55.80207	0.8
57.27008	0.6
59.01378	7.6
59.56837	0.6
61.98822	1.0
66.16934	0.7
71.01419	0.9
72.99307	39.6
93.03474	1.9
95.05036	1.1
98.20650	1.6
101.02503	1.0
104.60830	0.7
105.03387	0.7
107.05034	1.2
109.02956	10.6
116.45067	0.7
116.92862	3.3
117.03490	1.4
121.02950	4.2
123.04528	18.1
132.02147	1.8
133.02956	26.3
134.03619	1.1
135.04529	66.8
136.04871	2.3
137.02461	1.9
139.04005	1.1
145.02919	4.6
149.01248	1.4
149.02444	23.2
150.03215	9.5
151.04047	5.1
153.01912	1.4
159.04446	1.1
160.01720	0.7
161.02446	100.0
162.02774	4.7
163.04034	1.6
173.02420	1.4
174.03198	3.4
175.03853	1.1
179.03494	61.3
180.03796	2.2
197.04547	57.3
198.04884	2.1
201.01930	3.0
202.02846	0.8
209.06107	1.7
211.07605	1.4
221.06151	1.0
237.05588	1.6
239.07143	3.1
242.08136	0.7
242.69096	0.7
249.05582	2.0
250.06316	2.1
254.05898	1.1
255.06505	1.9
265.05054	1.7
266.05838	1.7
267.06610	36.8
268.07117	3.2
283.06183	8.6
307.91718	0.8
311.05612	43.7
312.06122	5.0
313.07092	0.9
329.06717	11.1
330.07047	0.9
341.06726	1.0
347.07657	2.4
347.11618	1.0
359.07724	8.1
363.16788	1.4
399.61386	0.7
406.12338	0.7
509.10947	9.9
509.20291	2.4
509.34988	1.1
510.11548	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	508.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.7
60.58217	1.1
61.98832	45.3
64.48147	1.3
66.82528	1.2
68.04211	1.3
71.01381	6.7
72.99296	2.5
75.00851	2.7
76.06812	1.2
80.35508	1.3
85.02959	12.3
87.00849	1.6
88.98801	2.1
89.02417	1.6
95.01376	3.9
96.67237	1.1
99.00882	3.9
101.61811	1.1
107.01418	1.8
107.02135	1.2
109.02967	2.2
113.02451	24.5
117.03448	4.1
133.02902	1.6
135.04506	3.4
147.71677	1.2
149.02457	1.4
159.04471	1.4
161.02400	4.2
175.02519	10.5
175.03831	2.3
238.43695	1.4
269.04541	100.0
270.04913	7.5
270.07437	1.3
343.98010	1.2
357.05719	2.1
358.06293	2.4
396.70334	1.3
445.07758	10.5
446.77783	1.2
449.27512	1.7
507.27893	3.0
508.28171	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	508.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.0
61.98835	100.0
69.56277	2.0
69.56701	3.1
71.01379	5.3
72.99319	7.9
73.02957	3.8
73.77850	0.7
75.00871	0.7
76.85587	0.7
83.01395	2.1
85.02956	1.3
89.02462	2.2
95.01403	0.8
97.06600	1.3
101.02464	4.6
107.05069	0.9
108.02177	1.7
108.04553	1.1
109.02958	6.5
113.02454	2.5
116.64391	0.8
117.03478	2.4
119.05017	1.7
121.02968	1.6
122.06153	2.0
123.04520	4.3
125.02428	1.0
125.09730	1.2
130.55643	0.7
133.02969	10.1
134.03734	2.5
135.04530	33.2
136.04929	3.7
137.02480	2.8
140.28793	0.7
145.02960	6.0
145.05081	0.7
146.03264	1.0
149.02458	2.7
150.03169	1.1
151.03998	1.3
152.01276	1.2
152.04402	0.9
152.07231	1.9
153.12859	11.4
161.02451	38.8
162.03226	12.9
163.04044	1.8
173.89687	0.8
174.03235	0.9
175.04060	0.9
177.05563	9.6
177.06868	1.0
179.03510	16.2
179.10773	4.5
180.03918	1.7
181.05109	1.0
183.83188	0.7
187.09778	2.7
197.04533	8.7
197.11838	26.4
198.04912	1.0
198.12244	1.3
203.03493	1.0
225.10469	1.2
233.86836	0.8
237.05759	0.8
242.08308	1.3
257.13025	2.4
267.06650	4.6
267.11447	1.4
269.04486	1.0
283.06140	3.5
301.12033	2.4
311.05597	11.4
329.06827	1.4
357.06418	1.2
358.06577	2.0
359.07748	3.3
388.16995	2.0
400.88699	0.8
432.15405	1.5
464.25607	1.4
476.18433	1.6
508.21695	1.5
509.11343	2.1
509.20996	3.2
516.69208	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	509.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
59.10155	0.2
61.98828	0.2
62.35789	0.2
65.00331	0.2
71.01385	0.3
71.64651	0.2
72.99309	46.2
73.99657	0.4
77.03963	0.7
80.96526	0.3
81.03448	0.5
83.82275	0.2
85.02908	0.2
89.03973	0.3
91.05531	0.4
93.03460	1.7
95.01389	0.7
95.05014	1.0
101.02465	0.2
105.03451	0.6
107.05027	1.4
108.02175	0.8
108.28262	0.2
109.02954	17.6
110.03257	0.4
113.02493	0.3
115.01929	0.2
117.03469	1.4
119.04983	0.2
121.02960	5.7
122.03764	0.5
123.04525	23.3
124.04849	0.5
132.02165	1.1
133.02960	27.6
134.03825	2.4
135.04526	43.5
136.04863	1.6
137.02441	0.5
139.04002	0.7
145.02940	4.7
145.04089	0.3
146.03674	0.7
147.00784	0.2
147.04500	0.5
149.02441	25.0
150.03230	15.9
151.04024	6.5
152.04356	0.2
158.03690	0.6
159.04521	1.1
161.02443	100.0
162.02789	4.0
163.04028	0.8
165.01880	0.3
173.02452	3.6
174.03224	8.0
175.03957	1.2
178.02757	0.4
179.03496	42.1
180.03862	1.8
180.05594	0.4
181.06573	0.3
183.04445	0.3
183.08096	0.4
189.01991	0.9
191.03542	0.3
193.06607	1.1
195.08212	0.2
196.05295	0.8
197.04550	66.3
198.04927	2.8
199.07654	0.5
199.96851	0.2
201.01932	5.2
202.02687	1.5
203.03419	0.3
204.05795	0.2
205.01314	0.2
208.05354	0.2
209.06044	2.0
210.06706	0.4
211.04031	0.3
211.07651	2.1
212.04837	0.6
213.05597	0.4
219.04581	0.3
220.05273	0.5
221.06076	1.5
222.06818	0.6
223.02388	0.4
223.07571	0.4
224.04761	0.8
225.05510	0.7
227.07120	1.1
232.05255	0.2
236.04793	0.2
237.05594	3.0
238.06290	2.1
239.07103	2.9
240.04224	0.6
241.05153	0.3
248.04733	0.7
249.05544	2.7
250.06290	3.6
251.06598	0.4
253.05040	0.7
254.05840	2.7
255.06638	5.4
256.07007	0.4
257.08145	0.9
264.04248	0.5
265.05090	2.6
266.05859	3.4
267.06616	48.2
268.07059	4.7
281.04471	0.3
282.05255	1.0
283.06116	17.1
284.06476	1.9
285.07669	1.9
293.04526	1.0
311.05606	80.7
312.06033	7.8
313.07181	0.4
326.40024	0.2
329.06647	8.6
330.06854	0.6
347.07755	1.7
359.07697	10.0
360.08087	0.8
399.07263	0.3
465.11911	0.6
509.10852	14.6
510.11182	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	507.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83217	1.9
55.63573	1.8
56.37937	1.7
59.01372	2.2
61.98565	2.5
61.98837	31.3
71.03904	4.6
78.95903	22.5
81.35917	2.0
94.71726	2.0
96.96959	2.0
97.45724	2.1
107.10886	1.9
123.98547	1.9
152.99588	34.8
156.45268	2.2
169.93503	2.3
171.00632	2.2
217.42683	1.9
227.03207	6.5
245.04343	3.6
279.23282	100.0
280.23526	7.2
384.96982	2.2
415.21957	2.4
462.87460	2.1
507.27142	68.3
508.27646	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	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
57.03450	4.8
58.00584	1.7
59.01381	27.8
60.84245	0.3
61.98830	6.2
67.06746	0.3
68.99784	0.3
69.03449	0.9
69.31859	3.1
71.01382	54.4
72.01713	0.7
72.99306	5.1
73.02948	17.3
75.00871	1.1
81.03446	0.3
82.51390	0.3
83.01385	9.6
84.02171	0.6
85.02950	29.1
86.00102	0.9
86.03290	0.7
87.00876	2.7
88.27021	0.3
88.71464	0.3
89.02446	10.2
93.03463	0.6
95.01391	5.1
97.02968	1.7
98.20637	0.7
99.00882	8.1
101.02443	44.2
102.02800	0.6
102.59134	0.3
105.01904	0.7
107.05038	0.4
109.02958	3.2
111.00874	3.4
113.02451	23.5
114.02756	0.7
117.03474	0.5
117.34489	0.3
119.03495	3.6
119.05004	0.7
121.03014	0.4
123.04533	0.7
125.02425	1.4
127.11301	0.9
129.01964	1.8
131.03458	0.8
133.02963	2.9
133.74998	0.3
134.03716	0.6
135.04535	6.3
137.02492	0.6
141.01953	0.8
143.03473	3.0
145.02943	1.5
147.00952	0.4
149.02432	1.1
151.04018	0.5
159.03011	5.7
159.04414	0.8
160.01674	0.8
161.01053	0.4
161.02489	8.6
161.04546	24.2
162.02769	0.6
162.04947	0.5
163.03967	0.6
171.13908	1.2
175.03999	1.5
179.03484	2.4
179.05600	0.7
184.81337	0.3
197.04570	1.3
203.03571	0.4
205.03529	0.5
239.07018	0.4
251.07162	0.3
267.06628	0.8
269.08261	1.1
283.06079	0.5
295.06174	0.3
297.24243	0.5
299.25861	3.3
309.03955	0.6
309.07681	0.6
311.05634	0.9
313.07138	0.6
343.28497	0.3
345.06210	3.3
345.30078	14.6
346.30511	1.9
357.06134	1.6
359.07635	0.4
507.35336	100.0
508.35712	14.4
528.61487	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	507.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	29.0
61.25441	7.6
61.98818	40.6
70.42113	13.0
70.42469	27.8
72.66208	7.9
91.20865	9.1
95.79688	7.8
98.20666	11.1
115.15026	8.8
122.77373	9.7
149.73174	8.4
150.06842	28.7
161.02470	13.5
162.06827	100.0
175.39873	9.0
177.09236	59.9
215.12912	13.8
253.77470	9.7
257.75299	8.2
257.79465	7.9
329.23312	94.9
443.41345	9.9
489.32062	48.1
490.32681	9.0
507.33102	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38144	9.7
59.01373	33.7
69.76419	60.8
69.80595	8.8
72.99298	18.9
79.28277	8.2
90.70314	10.3
98.20561	17.5
106.34048	10.0
111.06189	9.1
115.23771	10.0
123.04562	13.4
133.02930	23.3
135.04532	54.7
138.75328	11.1
145.02928	40.7
161.02470	100.0
162.02777	16.3
179.03511	55.0
187.04141	11.5
195.02969	14.3
211.13303	15.3
232.80371	10.2
482.59665	9.9
507.22659	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	507.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16035	2.7
59.01380	27.4
60.01721	3.3
61.98834	4.8
71.01379	7.0
72.99318	10.4
73.02976	3.1
79.81999	3.4
85.02942	4.3
93.03457	41.8
94.03744	3.3
94.26110	3.0
101.02473	5.1
101.21509	3.0
108.02200	4.8
108.11778	3.0
109.02969	5.9
117.03474	3.9
123.04515	9.2
126.90522	9.3
132.02145	4.1
133.02931	27.1
134.03729	3.1
135.04535	42.2
136.04912	6.8
136.07700	4.3
137.02446	100.0
145.02963	10.2
147.00888	2.6
149.02451	5.8
151.04013	5.2
152.01152	4.7
161.02448	70.3
162.02818	6.2
163.11223	3.4
179.03494	30.5
197.04553	4.3
207.10233	4.7
209.11795	14.6
253.09132	3.3
257.15555	5.1
267.06677	3.2
284.09708	4.0
287.16464	4.5
327.15689	3.4
345.16986	4.3
348.39240	3.1
507.06396	5.0
507.27893	4.2
507.34970	8.2
508.20560	4.9
524.63873	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12313	0.4
59.01374	0.7
60.92292	0.4
61.87603	0.4
77.60713	0.3
78.95901	9.6
96.96973	0.9
152.98325	0.8
152.99583	15.4
171.00665	2.1
227.03233	3.1
245.04308	1.3
252.67548	0.3
261.22275	0.7
268.24475	0.4
279.23270	100.0
280.23624	8.4
422.47406	0.4
507.27264	34.3
508.27649	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	507.2877
Annotation	Aburatubolactam C
Peak:m/z	Relative Intensity
59.01374	26.6
61.98846	7.2
64.63568	6.5
78.95903	16.2
86.21692	5.9
98.20777	7.8
117.03455	24.0
119.05022	32.7
121.02931	10.6
123.04382	6.3
124.07207	5.3
133.02888	7.0
135.04515	12.4
141.32936	6.9
145.02962	100.0
152.99609	12.1
161.02493	32.6
162.02826	7.5
163.04012	19.7
179.03317	6.1
213.01595	6.8
229.71083	7.5
275.20239	8.5
287.22256	7.3
293.21213	31.1
384.13739	7.2
388.39908	6.8
415.24963	15.0
433.25565	19.5
489.22620	18.2
507.22885	7.3
507.29471	75.2
507.36429	7.7
508.29791	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	507.288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	5.9
59.01383	100.0
71.56842	5.5
98.20647	11.8
109.84354	4.8
161.02411	13.5
236.15285	5.0
389.23486	6.0
394.72070	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98828	8.7
62.24372	1.9
66.50631	1.8
66.55128	1.9
69.49274	10.3
69.49698	4.6
71.01389	16.6
72.99319	13.2
73.02953	6.5
75.00868	4.1
78.95913	5.1
81.03397	2.2
83.01402	2.7
85.02962	8.0
89.02451	5.3
93.03445	3.8
98.20585	3.9
99.00893	2.9
101.02420	9.0
108.02194	14.1
109.02966	31.5
113.02460	8.8
117.03493	15.9
119.05023	42.5
121.02971	3.0
122.06124	2.2
123.00801	1.9
123.04534	11.0
132.02188	1.9
133.02942	28.2
134.03725	6.0
134.06058	2.3
135.04533	74.3
136.04845	5.8
137.02422	7.2
145.02956	45.4
146.03394	2.2
147.00865	2.8
147.04501	2.6
149.02444	12.7
150.03183	4.2
151.03972	5.1
152.01176	13.9
152.07126	2.5
152.99602	2.3
153.01959	4.0
155.10811	5.2
159.04512	5.7
161.02454	89.5
161.04518	4.0
162.02780	7.4
163.04022	30.7
175.04079	2.5
179.03505	35.4
180.03860	3.6
180.55350	1.8
187.04070	2.6
195.03024	4.0
197.04539	20.0
199.09868	3.1
223.09758	4.6
242.08264	7.8
253.70001	1.9
254.08205	2.2
255.06618	3.3
257.12872	4.7
265.05038	2.2
265.10883	3.1
267.03555	2.0
267.06580	9.3
267.19672	25.1
269.08176	4.2
283.06216	4.0
283.11667	2.3
293.17612	12.6
301.11798	2.9
309.04147	2.2
311.05530	14.1
311.18661	19.6
313.07297	2.1
315.06976	2.8
329.06470	2.3
344.78683	2.0
345.16223	2.1
357.06128	6.1
359.07690	5.6
387.17157	2.3
388.16724	5.2
421.24551	2.9
432.15710	8.0
445.24506	4.0
463.25479	65.6
464.25797	6.8
507.10287	3.1
507.18875	23.5
507.28430	4.4
507.34708	6.1
508.23312	19.9
509.10794	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	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
57.03444	0.8
57.60648	0.7
59.01383	26.5
60.16976	0.6
61.98832	2.8
67.01876	0.9
69.03449	4.1
69.44256	6.0
69.44655	1.4
70.37466	0.6
71.01380	5.7
72.99332	1.6
73.02958	4.9
75.00893	0.9
79.05537	1.7
79.30309	0.7
81.03458	13.5
83.01387	7.6
83.05032	16.3
85.02939	4.2
88.98820	1.1
89.02449	1.9
93.03466	5.2
95.05029	33.2
99.04551	1.0
101.02469	3.8
107.05026	2.3
108.02148	0.9
109.02958	9.5
109.06589	18.6
111.04530	0.9
113.02452	2.0
119.05009	2.5
121.02946	2.0
121.06584	1.4
123.04529	100.0
124.04868	3.0
127.04020	1.6
131.05014	1.0
133.02951	0.9
133.06599	1.1
135.04515	4.7
135.08163	9.3
141.05586	2.9
143.10735	0.9
145.02986	0.9
147.04543	1.7
149.02467	1.4
149.06100	1.0
157.06610	0.9
159.04535	1.4
159.08144	8.3
161.02455	1.5
161.04741	0.9
161.06055	3.5
163.04053	0.9
165.05605	0.9
166.99881	0.9
175.07645	6.4
177.09209	77.8
178.09589	3.8
179.03502	1.5
179.07173	2.8
182.02248	1.9
195.10231	2.0
197.04576	2.0
201.09230	0.9
203.07111	3.6
209.06023	1.2
211.03848	0.7
221.08189	22.6
222.08603	1.3
226.02737	1.4
227.03532	3.8
235.09755	1.5
237.05634	1.9
239.09273	8.7
243.10405	1.0
245.08226	2.4
253.05087	1.6
263.09332	4.1
264.04279	1.0
265.05066	1.0
269.08237	1.6
275.09058	0.9
281.04419	1.1
281.10172	1.2
287.09268	1.8
305.10205	1.8
309.04047	6.0
310.04886	2.8
313.07101	1.4
323.11136	1.0
326.04849	0.7
345.23032	1.2
357.06348	3.2
383.13409	2.8
507.18753	89.5
507.27704	7.9
508.18979	12.3
522.64111	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	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26278	0.9
59.01385	33.9
59.65780	1.0
61.98812	3.1
68.63987	0.9
71.01388	9.3
72.99306	5.0
73.02927	1.8
77.77704	1.0
83.01391	2.1
85.02935	3.2
89.02438	4.8
93.03458	41.4
94.03793	1.2
95.01376	3.3
95.05026	2.6
98.19849	2.2
101.02460	6.6
107.05039	3.0
108.02142	2.9
109.02979	6.9
113.02469	5.2
117.03444	3.3
119.03582	1.6
119.05006	2.5
120.72309	1.0
121.03001	1.6
123.04529	3.0
133.02965	9.0
134.03696	2.1
135.04541	27.5
136.01663	14.5
136.04832	1.3
137.02448	100.0
138.02774	2.8
145.02962	8.9
147.04468	1.0
149.02419	3.9
151.04016	8.4
159.04488	1.3
161.02451	32.1
162.02730	1.9
163.04025	2.3
163.11313	12.5
165.01929	30.8
166.02220	1.2
167.03435	1.5
174.03104	0.9
179.03503	77.0
180.03784	2.9
181.05077	1.3
197.04509	4.5
207.10298	15.9
208.10538	1.2
209.04549	18.2
210.04817	1.4
239.05598	55.8
240.05933	2.9
255.06674	1.3
257.12936	1.1
267.06479	2.5
269.08185	1.0
281.06696	1.6
283.06073	2.2
298.94516	1.2
299.07727	12.0
309.04248	1.3
311.05630	3.0
327.05109	1.1
357.05969	1.7
359.07675	1.3
387.16397	5.6
388.16547	1.3
447.16647	17.4
448.16992	2.8
456.15695	0.9
463.19507	1.4
463.25522	13.7
464.25790	1.1
506.34393	1.1
507.18597	48.2
507.26929	2.1
507.33923	1.7
508.19037	5.8
508.26297	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	507.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65485	0.2
55.01871	0.9
57.03450	1.2
58.00594	0.5
59.01384	10.6
61.98829	2.0
65.03963	0.5
69.51463	1.9
71.01382	14.2
72.99308	2.0
73.02945	4.3
74.02441	0.4
75.00865	0.5
78.95908	1.3
83.01392	2.2
85.02953	6.7
87.00892	1.1
89.02451	2.9
93.03459	48.4
94.03812	1.1
95.01380	1.4
96.96041	0.4
97.02967	0.3
98.19841	0.4
98.20479	0.5
99.00887	2.1
101.02448	9.3
102.02753	0.3
107.05042	0.4
109.02930	0.6
111.00870	0.8
113.02443	5.3
117.03441	0.5
119.03514	1.2
119.05007	0.4
121.02934	0.5
123.04497	0.6
125.02431	0.4
129.01958	0.3
133.02962	2.6
133.72076	0.2
134.03709	0.5
135.04532	6.3
136.04875	0.4
137.02444	100.0
138.02786	3.7
140.01100	0.3
143.03488	0.7
145.02942	1.7
148.05307	1.2
149.02470	0.3
150.03172	0.3
150.06857	1.1
151.03955	0.7
152.99548	0.3
153.12894	0.6
155.07208	0.4
159.02985	0.9
159.04376	0.5
161.02461	8.1
161.04512	4.6
162.02791	0.5
163.04073	0.4
163.07646	1.1
163.11229	0.3
175.04074	0.4
179.03500	3.5
179.10748	0.4
197.04510	1.4
197.11839	0.8
203.03587	0.5
203.48242	0.3
207.10326	0.5
209.11845	0.5
225.11305	0.3
243.06558	0.5
267.06619	0.7
267.19659	2.1
268.07455	0.3
283.06061	0.3
293.17581	0.9
299.25940	0.3
311.05646	1.1
311.18600	0.7
345.30109	2.3
369.15506	2.8
387.16443	1.5
388.17139	0.3
506.34439	1.0
507.18787	10.4
507.35303	27.7
508.18057	0.6
508.23697	0.9
508.35562	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	507.1869
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
55.79724	1.0
59.01376	8.6
60.25985	1.0
61.98832	2.8
71.01397	4.9
71.42934	1.2
72.99319	1.2
73.02954	1.8
79.17298	0.9
85.02946	1.8
87.00907	0.9
89.02476	2.5
91.31046	1.0
101.02439	3.5
109.02971	1.1
113.02464	1.8
119.03497	1.5
121.02958	2.2
123.04467	1.1
133.03006	1.1
135.04504	2.0
140.19254	0.9
145.02954	4.4
147.04527	1.7
161.02367	1.1
167.07153	5.5
179.05630	1.2
179.07133	1.0
181.08685	1.4
183.10239	1.4
209.08278	1.2
211.07527	1.6
225.05377	1.3
225.09105	1.3
227.07063	1.3
237.05804	1.2
238.06207	1.0
251.07166	1.2
253.05016	1.4
253.08821	1.2
254.05705	1.0
255.06589	6.2
256.10980	6.9
257.11374	1.0
265.08698	1.3
267.06644	5.5
267.10181	1.6
269.08157	5.1
283.09723	5.0
284.10535	5.4
295.09793	6.5
296.10498	9.9
297.11273	4.4
299.09247	2.4
300.10001	25.0
301.10513	2.0
310.08475	4.9
311.09232	18.2
312.09998	35.9
313.10413	3.6
315.12369	57.6
316.12625	4.9
327.12363	100.0
328.12683	8.2
344.48996	1.1
345.13351	8.8
387.20117	1.9
406.43536	1.1
463.21838	4.1
477.17578	6.6
489.17712	3.2
507.19122	6.8
508.18237	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	507.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
58.92915	0.5
59.01382	51.6
59.16321	0.5
60.01700	0.7
71.01382	12.3
71.43262	0.6
72.99302	1.0
73.02945	1.0
81.99541	0.6
83.01370	1.7
85.02941	2.3
87.00867	1.3
89.02454	9.2
93.03458	30.9
94.03819	0.8
95.01379	1.9
101.01849	0.9
101.02448	9.8
103.39706	0.6
107.05005	1.1
108.02155	0.9
113.02455	5.5
117.68876	0.5
119.03506	3.6
121.02999	0.6
135.04533	0.8
136.01653	7.7
137.02443	64.8
138.02768	1.7
149.02411	0.9
151.04002	2.3
163.11295	5.1
179.03493	25.4
180.03807	1.3
207.10248	12.0
209.04510	3.0
219.81880	0.6
222.71355	0.5
225.11389	0.8
227.03415	0.6
239.05595	11.6
240.05884	0.6
299.07703	1.3
303.82831	0.6
309.04004	1.2
354.34906	0.5
369.15625	3.6
373.86356	0.6
383.91718	0.6
387.16586	73.7
388.16901	7.0
447.16776	6.2
489.17795	2.3
507.18710	100.0
508.18997	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	507.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04197	1.0
57.03440	1.4
59.01383	100.0
60.01725	1.5
61.98836	3.8
62.03039	1.0
71.01382	10.3
71.64698	1.3
72.86517	1.0
72.99316	7.4
73.02954	9.3
74.99095	1.6
75.00859	1.7
76.22678	1.3
79.05544	2.1
81.03459	4.7
83.01398	10.3
83.05033	2.8
85.02946	6.1
87.00876	2.0
88.98803	4.5
89.02457	4.7
89.03942	1.2
93.03474	3.5
95.05044	7.7
97.02998	1.3
97.06599	1.9
101.02450	10.1
108.02182	2.2
109.02950	8.2
109.06593	4.9
113.02441	6.1
117.03469	30.3
118.07988	1.0
119.01341	1.1
119.03444	2.1
119.05025	8.4
120.05296	1.1
121.02965	2.6
121.06495	1.2
123.04548	7.3
133.02969	5.9
133.06564	1.9
134.03792	1.4
134.06082	1.3
135.04535	19.0
135.08163	9.4
136.04872	1.6
137.02454	6.5
139.03983	1.8
141.05591	6.2
145.02957	96.9
146.03287	4.5
147.00893	2.3
147.04518	1.5
149.02461	7.8
150.03319	1.0
152.01193	3.6
153.01938	1.4
159.04498	1.6
161.02448	16.2
161.04514	2.2
163.04018	9.5
165.05611	1.5
167.03496	5.5
177.01909	1.8
177.09225	11.2
178.05122	2.5
179.03511	8.3
179.07132	5.6
180.03871	1.3
181.05042	2.8
195.10269	31.8
196.06129	6.0
196.10568	1.8
203.03442	2.0
219.10306	2.5
221.08247	2.2
239.09254	98.7
240.09625	4.9
255.06490	1.3
263.09235	2.7
264.04282	1.2
265.04916	1.3
267.06625	3.8
271.08105	2.2
281.10324	5.4
283.06110	1.8
284.06488	1.2
285.20572	1.5
293.04520	1.2
295.06363	1.5
303.21655	2.6
309.04083	1.9
311.05548	1.6
311.11322	5.9
312.05783	2.7
328.08292	2.1
339.05264	1.4
341.12405	24.9
342.12720	1.5
345.06186	2.3
346.09354	8.4
357.06094	2.6
361.15118	1.7
387.16492	2.0
401.14548	36.0
402.14761	3.1
405.24890	1.3
421.24554	1.4
447.26114	3.5
463.25470	2.8
465.27216	3.6
471.16107	1.2
507.12039	1.1
507.18851	27.9
507.28085	46.9
508.20560	1.1
508.28540	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	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27557	1.2
59.01382	28.7
59.75040	1.2
61.74323	1.1
61.98831	3.4
65.27401	1.1
71.01385	22.9
71.03702	1.1
71.04620	1.1
71.60566	1.6
72.00906	15.1
72.99294	1.7
73.02924	1.4
74.50737	1.1
76.75811	1.1
81.26647	1.1
84.28323	1.0
85.02966	3.3
86.04361	1.1
87.00877	3.0
87.37666	1.2
89.01900	2.0
89.02449	34.5
101.02452	15.6
113.02453	11.1
119.03488	10.4
131.03497	1.8
143.03500	4.1
147.03339	2.7
147.04521	49.8
148.04828	2.0
152.03650	1.2
161.04590	7.6
164.07164	100.0
165.07471	3.9
179.05606	22.3
210.11713	1.3
216.19444	1.3
221.06543	1.5
303.30765	1.6
332.93268	1.3
341.10864	83.0
342.11212	5.5
342.32672	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	507.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13025	0.4
59.01381	4.3
61.76639	0.5
61.98820	1.5
69.02992	0.5
70.29974	0.5
71.01378	0.8
71.13349	0.5
72.74209	0.5
72.99316	2.1
78.95888	0.6
79.95744	2.6
83.01371	0.6
85.47261	0.4
94.98075	0.8
95.01372	0.6
96.96014	100.0
105.05434	0.5
108.02163	0.5
109.02979	1.1
111.00870	1.9
117.74339	0.5
121.02944	0.8
123.00908	3.0
123.04533	0.7
124.01685	3.4
126.90488	1.6
133.02948	5.8
134.03328	0.5
135.04529	6.4
135.22542	0.5
136.04840	0.9
137.02466	0.6
145.02975	1.3
149.02428	1.4
150.03139	0.5
151.03958	1.0
161.02441	16.8
162.02803	2.1
167.03502	1.1
175.03981	0.5
178.02756	0.6
179.03511	5.7
195.02982	55.8
196.03374	2.0
203.07118	0.7
205.08533	0.5
209.11850	1.6
211.13303	0.9
250.28978	0.5
267.06537	2.6
311.05609	1.4
430.49960	0.5
506.34937	3.2
507.22910	1.4
507.34109	0.9
523.05786	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	507.1141
Annotation	Moghanin A
Peak:m/z	Relative Intensity
50.13022	0.6
52.82009	0.6
59.01381	9.6
61.98816	0.7
62.86421	0.6
69.03455	2.4
69.39689	4.4
71.01385	3.9
72.99303	1.3
73.02931	1.0
75.00883	1.4
81.03448	1.1
83.01389	2.1
85.02950	2.3
89.02428	1.5
93.03487	1.4
95.01377	2.6
97.02950	2.3
98.20721	1.0
101.02440	2.1
105.97838	0.6
107.01390	1.0
108.02162	1.5
109.02943	2.0
113.02467	1.1
117.03466	0.8
119.05010	1.0
121.02950	0.8
123.00893	7.8
123.04530	1.0
124.01666	20.1
125.02449	39.3
126.02782	1.1
132.02177	1.5
133.02928	1.3
134.03729	7.9
135.04457	2.0
137.02446	5.5
139.03995	1.1
145.02919	0.8
147.00850	0.9
147.04536	0.7
148.86911	0.6
149.06010	0.8
149.71155	0.6
149.99583	38.2
151.00209	1.9
151.03990	1.0
151.11093	0.6
152.01102	0.5
159.04419	0.7
160.01662	9.3
161.02460	3.8
161.04529	0.7
167.03537	1.1
168.00639	65.8
169.01318	5.5
175.04005	11.9
176.04688	0.8
179.03484	1.8
191.07112	0.6
192.70226	0.5
193.01474	1.0
193.05029	4.0
213.79710	0.6
303.21722	1.0
313.05566	3.4
331.06680	16.7
332.07172	1.1
337.09402	0.9
345.06375	0.9
447.26093	2.8
465.27151	2.6
489.10452	1.5
507.11414	100.0
507.27774	13.9
508.11908	12.5
508.28268	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	505.3535
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
51.29044	0.6
57.03447	6.3
59.01370	2.8
60.99297	2.5
69.34155	5.3
71.01384	0.7
71.80241	0.6
78.95915	0.7
94.98045	0.6
97.06641	0.8
102.31495	0.7
105.11664	0.6
107.11726	0.6
109.19605	0.7
117.03448	0.9
133.02942	7.4
135.04498	1.1
145.02946	2.1
161.02443	20.8
201.05539	1.0
236.57275	0.7
236.66235	0.7
246.08917	1.2
268.66656	0.6
280.66730	0.6
339.27054	1.5
351.27051	0.7
383.29535	2.1
385.31171	1.0
389.26886	1.0
401.30618	1.0
409.30988	5.4
411.32642	32.5
412.33228	4.7
473.32706	27.5
474.33105	5.0
505.35345	100.0
506.35709	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	505.354
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
57.03448	2.3
58.00602	5.7
59.01379	26.9
60.99306	6.9
61.01812	0.9
61.98824	3.1
69.36861	3.5
69.37291	3.4
70.11338	0.7
71.01387	7.5
71.05022	8.7
72.99305	6.7
73.02943	3.0
83.05025	1.3
85.02955	2.8
85.06583	2.3
85.58765	0.8
89.02451	2.8
89.88752	0.7
93.03456	1.9
98.19893	1.5
101.02463	4.1
108.02113	1.0
109.02957	3.4
109.06562	1.3
112.85621	0.7
113.02452	2.9
113.96234	0.7
117.03447	3.2
119.03499	1.4
119.05022	2.0
121.02956	2.2
122.06117	1.1
123.04534	2.8
132.02127	1.3
133.02951	17.8
134.03706	2.9
134.06131	0.9
135.02953	0.9
135.04530	21.2
136.04822	1.8
137.02429	2.7
139.04008	1.3
143.05026	1.1
144.24101	0.7
145.02946	6.5
147.04518	1.4
149.02440	4.6
150.03209	1.3
151.03963	1.7
159.04521	1.8
161.02443	51.2
162.02798	5.0
163.04034	1.9
175.03972	2.0
177.01794	0.9
178.02776	1.7
179.03491	14.8
180.03825	1.3
187.04005	3.4
191.03505	1.0
191.86555	0.8
193.05038	8.3
197.04485	4.4
201.02144	1.0
203.14386	1.1
207.10255	2.9
225.11212	1.4
237.05766	0.8
267.06586	2.0
281.04520	1.0
283.13403	1.1
311.05499	2.5
312.06314	0.9
314.76425	0.9
343.28732	1.4
357.05414	1.0
393.27658	1.7
395.29617	7.7
396.30118	1.4
405.31531	4.9
411.32639	17.1
412.33047	1.4
423.32724	6.4
425.18353	1.4
425.34433	7.2
426.34769	1.4
441.33725	64.6
442.15884	0.9
442.33981	10.1
443.35278	87.4
444.35599	14.0
455.31711	2.3
457.33191	3.7
461.36438	1.0
469.33026	1.1
473.15430	0.8
475.34299	10.8
476.34546	1.4
485.32910	2.3
487.34290	100.0
488.34631	15.2
505.23364	1.5
505.35233	21.1
506.34616	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	505.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03453	1.3
59.01382	23.4
67.01875	1.0
69.03455	2.6
69.66602	5.0
71.01380	7.2
72.99321	0.7
73.02947	1.2
75.18757	0.6
79.78722	0.6
81.03465	11.0
83.01358	1.5
83.05026	12.4
85.02950	3.6
87.00854	0.8
89.02457	6.6
93.03448	2.8
95.05029	23.8
97.06612	0.8
98.20615	0.9
101.02444	5.9
106.89249	0.7
107.05032	1.4
109.06591	13.2
111.00899	1.5
113.02480	3.5
119.03501	2.3
119.05029	1.6
121.05070	3.2
121.06568	0.8
123.04527	5.4
129.23424	0.7
131.05086	0.9
133.06590	1.2
135.04529	1.2
135.08188	8.1
139.00360	2.2
141.05583	2.7
149.06062	1.5
159.08189	5.2
161.04665	1.5
161.06076	3.1
175.07625	4.6
177.09206	62.0
178.09541	2.7
179.05649	1.2
179.07083	2.6
195.10248	2.0
221.08170	12.0
239.09259	1.5
283.10355	3.8
289.05505	1.2
313.73550	0.8
433.17035	5.3
505.19281	100.0
506.19537	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	505.2573
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01376	1.7
68.58131	0.6
69.63317	2.8
69.63735	1.1
71.16106	0.6
76.00764	0.6
78.95908	25.7
84.92165	0.5
96.96965	2.3
102.36947	0.6
115.10678	0.6
132.50328	0.6
150.98021	0.8
152.99594	38.5
171.00612	2.0
227.03235	5.9
245.04268	2.3
277.21722	100.0
278.22089	7.7
370.59973	0.6
410.21423	0.6
413.21066	1.7
505.25717	65.5
506.25977	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	505.2657
Annotation	Foliasalacioside G
Peak:m/z	Relative Intensity
53.91856	0.6
56.73456	0.7
57.03429	1.0
58.00585	1.5
59.01383	64.6
60.01731	0.6
61.98825	4.0
67.70415	0.6
71.01384	19.3
72.99307	5.0
73.02951	1.9
83.01389	1.9
85.02961	6.3
86.44157	0.7
87.00874	1.9
89.02443	13.4
93.03464	1.7
95.01386	1.7
99.00890	0.9
101.02448	11.0
109.02956	1.5
113.02464	6.8
118.56344	0.7
119.03506	6.3
119.04999	1.7
121.02941	0.9
123.04539	1.6
128.86273	0.7
131.03513	0.8
133.02934	1.0
135.04535	5.2
137.02454	3.2
143.03484	0.7
145.02917	0.8
149.02467	1.0
152.80907	0.7
161.02463	4.5
163.04065	0.8
167.03546	1.0
179.03490	3.3
179.05696	1.6
197.04541	3.0
239.05672	0.7
301.20053	0.9
311.05490	1.0
325.20157	1.3
343.10336	2.3
343.21460	1.1
359.09720	0.9
405.26010	0.8
445.24612	1.7
463.25665	2.3
487.25491	5.1
488.25693	1.0
505.26535	100.0
506.26944	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	505.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
57.03452	8.6
57.16270	1.1
59.01381	96.0
59.35104	1.0
60.01736	1.0
68.99815	2.0
69.03461	4.3
69.34715	7.9
69.35121	2.4
71.01385	32.9
72.94662	1.2
72.99311	39.4
73.02950	10.5
75.00892	1.8
83.01395	6.0
83.05032	1.1
85.02953	24.9
86.00111	1.3
87.00880	11.4
89.02443	5.8
93.03458	64.1
95.01402	7.6
97.02951	2.6
97.06592	1.6
98.47114	1.2
99.00891	8.8
99.04510	1.5
101.02451	12.0
106.77223	1.2
107.05042	2.2
109.02959	5.0
109.06519	1.3
111.00895	4.9
113.02449	31.1
117.03502	3.7
119.05065	5.7
123.04526	13.5
123.08180	1.6
124.01654	2.3
125.02472	1.4
125.09671	1.1
129.01959	1.8
133.02960	3.3
134.03699	2.8
134.06146	1.9
135.04524	30.8
135.08063	2.5
136.04924	1.9
137.02443	100.0
138.02792	4.2
141.01968	10.6
143.03517	2.7
145.02946	22.3
147.08202	2.1
151.04068	2.2
159.02985	5.3
159.04439	1.6
161.02463	9.8
161.04543	7.0
161.05783	1.4
163.04050	4.1
165.09138	1.4
171.13814	1.6
179.03500	23.3
181.05101	1.9
181.12369	1.6
187.04054	1.4
187.13365	1.6
191.03488	1.3
197.04547	37.6
225.11313	93.8
226.11606	5.6
239.03392	1.5
255.06650	1.3
267.06622	2.2
270.07825	2.1
279.05099	81.6
280.05438	4.1
281.04453	2.5
283.19183	4.7
301.20325	1.6
303.21808	2.0
307.08328	10.9
311.05765	1.9
323.05496	1.2
343.08246	6.9
343.28946	1.4
359.10297	6.4
359.28406	1.9
361.29565	9.6
375.92575	1.2
391.25085	2.4
445.24411	2.0
463.25674	3.3
504.34567	6.2
505.13458	15.2
505.26489	30.4
505.33832	68.8
506.26840	2.9
506.34247	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	505.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98820	0.5
62.69862	0.2
63.32980	0.2
70.19722	0.4
70.20108	0.5
71.01379	0.4
105.03475	0.6
115.01913	0.3
117.03491	1.0
118.03822	0.3
119.05062	0.3
120.73969	0.2
121.02962	5.8
132.02177	2.0
133.02959	31.7
134.03261	1.0
135.04533	0.6
143.05002	0.3
145.02954	3.5
146.03282	1.1
149.02425	0.2
150.06784	0.3
159.04492	0.2
161.02444	100.0
162.02786	4.4
162.06914	0.8
163.04019	0.6
173.06134	0.2
174.03226	0.5
175.07777	0.2
179.03517	0.5
181.06645	0.2
186.06917	0.3
187.03996	2.2
187.07629	1.4
193.05070	0.4
193.06851	0.2
197.06078	0.3
199.07703	0.3
201.05548	0.3
202.06349	3.9
203.07178	1.0
212.04774	0.4
213.05600	0.4
213.09174	0.5
214.09975	0.6
215.07129	0.5
215.10670	0.5
225.09137	0.3
227.07198	1.1
227.10587	0.2
241.04884	0.3
241.08688	0.4
242.09447	1.1
243.10120	0.4
243.14006	0.4
246.08899	0.5
255.10339	0.3
257.08246	0.8
270.08987	1.3
271.09775	0.4
271.13449	1.1
272.13843	0.2
280.03537	0.3
296.10751	0.3
299.12872	6.8
300.13281	0.7
313.07394	0.2
325.14478	0.9
327.21838	0.5
343.15509	5.2
344.16006	0.5
390.01697	0.2
417.09872	0.6
461.19766	0.2
487.30792	0.3
504.34052	0.3
505.11368	0.5
505.24023	1.5
505.32230	0.9
506.24448	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	505.1719
Annotation	Campsiside
Peak:m/z	Relative Intensity
52.38299	1.1
52.58474	0.9
58.35863	1.0
59.01381	14.9
61.98838	9.5
71.01375	4.4
71.62342	1.1
72.99301	3.7
75.00864	2.1
82.00603	1.0
85.02948	1.3
89.02435	2.1
96.95998	1.3
101.02454	2.7
107.05048	1.2
108.02184	2.6
109.02956	3.3
109.06575	1.3
113.02483	1.6
119.05015	1.3
121.02940	2.9
123.04533	2.6
123.93460	0.9
124.23234	1.0
129.03450	1.5
133.02963	1.9
134.03763	1.5
135.04488	7.2
143.40219	1.0
145.02982	5.8
146.03716	4.4
147.04518	9.4
158.03738	12.0
159.04482	4.8
161.02473	3.0
161.06030	1.9
163.04033	1.5
165.04350	1.3
165.05556	7.7
171.04582	1.5
176.04791	1.3
177.05602	1.2
179.03528	2.9
189.05588	2.1
196.03816	1.2
197.04573	1.6
207.06625	1.4
209.06076	1.3
235.07664	1.9
236.08365	2.3
247.07619	1.2
249.05502	1.0
251.07153	2.6
254.09485	4.4
255.06607	1.3
263.07056	3.7
264.07889	1.4
265.08710	3.7
267.06503	1.5
268.07373	1.6
269.08145	3.4
275.07083	2.5
276.07965	1.5
277.05243	1.6
277.08701	3.0
279.06693	2.9
280.07394	19.6
281.08188	6.6
282.09009	6.7
283.09738	5.7
291.06616	3.3
292.07336	3.8
293.08176	7.1
294.09009	14.6
295.06357	3.1
295.09738	32.0
296.09903	2.4
298.08847	1.1
309.07687	20.0
310.08426	32.4
311.05533	1.5
311.08713	2.5
313.07208	2.7
313.10770	22.5
314.11130	1.9
325.10803	100.0
326.11096	9.2
339.04999	3.0
343.08035	1.8
343.11816	15.1
344.12155	2.0
475.16083	9.0
487.16238	9.5
488.16388	1.5
505.17264	14.5
505.28271	3.2
506.17468	1.7
506.29367	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	505.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03435	1.7
59.01098	1.1
59.01379	17.1
61.25122	0.5
61.98808	0.8
62.08568	0.5
66.82931	0.5
69.03458	0.6
71.01384	6.9
71.05022	10.3
71.37301	1.2
71.37669	0.7
72.05347	1.1
72.99308	0.8
73.02946	1.6
75.00845	0.7
75.08307	0.5
81.03443	1.2
83.01392	1.1
84.02135	0.5
85.02931	2.9
87.00890	0.5
89.02437	1.8
93.03440	2.7
95.01386	1.3
97.02969	0.6
98.03735	1.1
99.00902	0.8
99.04546	1.0
101.02446	4.6
107.01372	4.2
108.02184	2.3
109.02976	2.3
111.00815	0.5
113.02441	2.4
117.03446	3.1
119.05025	100.0
120.05329	3.6
121.02950	4.1
121.23218	0.5
123.00871	3.1
123.04532	2.4
124.01656	1.7
125.02438	1.0
125.71088	0.5
131.91716	0.6
132.02107	0.8
133.02963	1.7
134.03746	1.6
135.04533	3.7
137.02419	5.5
138.03189	1.1
139.00383	1.0
139.04001	4.5
145.02933	4.8
149.02394	0.5
151.04068	0.6
152.01134	4.2
153.05585	1.3
160.01675	2.7
161.02452	3.8
161.04575	0.6
162.03200	0.9
163.04005	46.0
164.04372	1.8
166.99873	2.0
167.03516	6.1
168.00627	2.6
169.01347	0.9
175.03972	3.2
177.05571	13.4
178.06003	0.7
179.03514	4.3
181.01395	1.6
181.05054	1.0
182.02196	2.9
183.02985	15.1
193.05080	1.2
195.06685	1.1
196.03813	0.6
197.04559	7.3
209.11751	0.7
222.18001	0.6
225.04050	1.1
239.05482	1.1
253.09319	1.0
267.06656	1.5
283.19223	0.5
299.07617	0.7
301.73334	0.5
307.02414	0.7
308.21017	0.8
311.05524	0.8
312.04910	0.7
323.07706	0.6
326.06540	2.0
327.07202	26.4
328.07507	1.2
333.22217	0.9
334.22592	2.5
335.23154	0.7
336.20496	0.6
337.09277	3.6
341.08752	24.3
342.09122	1.3
345.22873	1.4
351.23230	3.2
352.23621	10.3
353.23926	2.7
364.24030	0.6
370.24805	2.9
371.25049	1.2
405.28635	0.6
406.28275	1.0
424.29688	2.3
425.29739	0.6
445.24686	1.1
461.12991	0.6
463.25797	1.1
486.29742	0.7
487.31323	0.8
495.39212	0.5
504.30399	33.4
505.13831	16.9
505.24094	3.4
505.32172	11.4
506.13766	2.6
506.26636	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	505.1353
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
50.95176	0.2
56.55513	0.3
59.01381	2.8
61.98823	0.6
65.36023	0.3
69.30190	0.5
69.30593	2.2
71.01376	1.3
72.99307	1.5
73.02944	0.4
85.02931	0.6
87.00894	0.3
88.98803	0.7
93.03462	1.4
101.02431	0.6
109.02937	0.7
113.02466	0.4
116.92869	0.4
117.03464	0.3
119.05029	16.1
120.05343	0.6
121.03011	0.3
123.04524	0.4
132.02162	0.7
133.02965	16.6
134.03581	0.5
135.04532	17.4
135.27274	0.3
136.04861	0.8
137.02451	2.0
145.02968	1.2
149.02489	0.5
161.02448	100.0
162.02788	4.8
163.04021	9.2
164.04483	0.6
167.03543	0.5
179.03499	9.9
180.03836	0.5
181.05064	20.6
182.05365	1.0
208.03696	0.4
223.06131	1.1
281.06662	0.4
301.07330	0.3
307.08243	0.7
311.05716	0.5
311.15903	0.3
341.08813	0.8
343.08215	28.3
344.08566	2.2
401.27151	0.3
499.19012	0.3
505.13763	3.7
505.26355	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	505.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26384	0.4
59.01377	1.0
61.98819	1.0
67.58109	0.4
71.62921	0.6
73.65000	0.3
77.34292	0.4
78.18829	0.3
101.86449	0.5
121.02957	100.0
122.03297	2.4
124.54534	0.4
132.02177	1.0
133.02960	13.6
134.03201	0.4
150.03206	1.3
150.06825	0.6
152.99622	0.5
154.63791	0.4
161.02448	50.1
162.02795	1.7
162.06929	1.0
169.63750	0.5
173.06114	1.3
174.03136	0.6
180.05804	0.5
181.06589	3.1
187.04010	0.6
187.07646	0.8
197.06079	3.2
201.05582	1.6
202.06354	0.9
203.07208	1.3
207.04498	1.2
214.50475	0.4
225.05525	2.1
244.20340	0.4
245.08232	0.5
246.08940	1.6
257.09854	0.5
277.21588	0.6
295.05878	0.5
299.12939	0.9
301.08752	0.5
313.07175	5.4
327.21759	1.1
357.06192	0.8
373.10660	0.6
383.07819	1.1
417.09778	8.9
418.10242	1.1
461.12576	0.6
467.72299	0.4
487.30740	0.7
504.34482	0.5
505.11334	8.1
505.31937	0.6
506.11810	0.9
524.32843	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	505.1353
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
52.95604	0.3
59.01382	2.7
61.98811	0.4
69.83568	0.5
69.83984	1.2
71.01374	1.3
72.99300	1.2
85.02941	0.4
88.98849	0.3
89.02440	0.6
93.03447	1.8
101.02432	0.8
107.05028	0.4
107.52299	0.3
109.02975	0.5
113.02469	0.5
116.92876	0.5
117.03498	0.5
119.05030	16.2
120.05347	0.5
132.02148	0.6
133.02960	14.7
134.03415	0.4
135.04533	17.6
136.01678	0.3
136.04860	0.7
137.02432	1.9
145.02977	1.0
149.02411	0.5
152.01123	0.3
161.02446	100.0
162.02769	4.1
163.04012	8.8
164.04451	0.6
167.03508	0.3
173.17290	0.3
179.03491	9.3
179.07008	0.4
180.03822	0.6
181.05066	22.9
182.05363	0.6
193.01430	0.4
197.04596	0.4
208.03708	0.5
223.06154	1.0
281.06705	0.8
300.90155	0.4
307.08362	0.5
325.20151	0.4
341.08740	0.7
343.08206	26.3
344.08475	2.4
410.81360	0.3
461.14761	0.3
505.13791	4.1
505.26617	2.4
506.13947	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	505.1354
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
51.79036	0.3
59.01378	17.8
59.56622	0.3
61.98822	0.5
63.09943	0.2
69.43480	1.7
69.43890	0.8
71.01378	3.5
72.99308	3.1
73.02950	1.2
75.00906	0.3
83.01377	0.7
85.02952	1.0
87.00883	0.8
89.02446	2.4
93.03453	0.6
99.00905	0.4
101.02445	2.8
102.21967	0.3
104.18633	0.3
105.03449	0.3
107.05035	0.5
109.02990	1.2
110.97303	0.3
113.02458	1.1
117.03494	2.1
119.03539	0.9
119.05026	7.4
121.02956	0.4
123.00896	0.6
123.04539	1.2
132.02162	2.5
133.02965	18.3
134.03661	1.2
135.04530	22.3
136.04863	1.0
145.02960	2.7
147.04561	0.4
151.04091	0.4
159.04510	0.4
160.01639	4.4
161.02444	100.0
162.02765	4.2
163.04007	7.9
166.99825	0.4
175.04048	0.4
179.03490	15.2
180.03851	0.5
181.05066	14.4
182.02202	1.0
182.05383	0.6
182.74637	0.3
197.04520	3.5
203.03494	0.4
223.13402	0.4
265.04889	0.4
267.06723	0.5
281.23453	0.3
283.06393	0.3
299.09314	0.4
307.08231	1.7
311.05624	2.6
312.05859	0.4
323.07690	41.2
324.08011	3.1
341.08701	5.1
342.09210	0.6
343.08191	17.0
344.08487	1.1
355.04584	0.8
357.06177	0.6
359.10010	1.5
373.18649	0.4
445.16437	1.8
458.16052	0.5
463.25424	0.5
487.25583	0.4
505.13934	4.8
505.26556	12.9
506.13800	0.4
506.26917	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	505.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39343	0.3
51.92641	0.3
59.01384	0.6
69.42409	2.5
71.05028	1.0
72.99302	0.4
85.35295	0.3
93.03461	0.6
95.01357	0.5
95.05009	0.4
101.02421	0.3
105.03475	0.3
109.02958	2.7
117.03420	0.3
119.33179	0.3
121.02950	1.9
132.02164	0.7
133.02957	14.2
134.03751	5.3
135.04514	3.7
137.02451	4.5
139.04028	1.7
145.02975	0.3
145.31319	0.3
149.02449	6.7
150.03236	3.0
159.04463	0.3
161.02449	48.8
162.02802	1.7
174.03200	0.6
178.02725	1.5
179.03481	4.7
193.05060	100.0
194.05421	4.4
211.07545	0.3
222.06764	0.3
223.13368	0.5
238.06238	0.4
239.07024	0.6
249.05466	0.7
250.06294	0.9
255.06575	0.3
265.05096	0.4
266.05756	0.6
267.06613	15.2
268.06998	1.2
283.06119	1.0
311.05627	8.9
312.06055	0.6
316.39328	0.3
325.07220	0.9
326.29623	0.3
355.08237	1.4
388.29407	0.4
420.29929	0.7
422.31659	0.8
423.32098	0.4
438.30923	0.4
444.32031	1.4
445.32346	0.6
454.30389	1.0
460.34933	0.5
472.31570	0.4
486.33124	14.0
487.33444	4.5
504.34134	92.0
505.34518	34.8
506.34940	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	505.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01377	3.3
61.98834	1.1
70.37235	0.6
70.37635	0.5
71.01409	0.3
72.99310	0.6
93.03458	0.5
95.04478	0.2
98.20528	0.3
105.03422	0.3
108.24803	0.2
109.02951	3.7
109.03648	0.4
117.03448	0.3
119.51595	0.3
121.02944	1.8
132.02177	0.9
133.02960	12.7
134.03754	5.7
134.04698	0.5
135.04527	4.0
136.04886	0.3
137.02443	5.2
139.04001	1.8
145.02969	1.1
149.02464	3.8
150.03214	2.7
151.69160	0.2
159.04547	0.6
161.02446	36.7
162.02811	1.4
173.02437	0.5
174.03203	1.5
175.03966	0.3
178.02698	1.3
179.03482	4.4
189.01939	0.3
193.05052	100.0
194.05408	4.7
201.01921	0.6
209.06090	0.5
211.07632	1.0
221.06035	0.4
222.06908	0.3
223.13342	0.4
224.04767	0.2
237.05547	0.9
238.06349	0.6
239.06996	1.3
249.05591	0.8
250.06332	1.7
254.05757	0.5
255.06540	0.7
265.05066	0.4
266.05896	0.9
267.06607	23.5
268.06921	1.9
283.06137	2.9
283.13437	0.3
284.06558	0.3
284.09738	0.4
311.05612	14.3
312.06107	1.5
313.07318	0.3
325.07141	1.2
343.15643	0.4
355.08212	0.4
504.34369	1.1
505.35580	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	504.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02259	0.3
55.01879	0.7
56.25754	0.3
57.03447	0.7
58.00592	0.3
59.01383	21.3
59.80596	0.3
60.01716	0.3
61.98834	2.2
69.03468	0.2
69.34981	0.3
69.75365	1.7
71.01385	7.6
71.05025	0.3
72.99306	2.5
73.02949	3.0
73.91934	0.3
74.02476	92.5
75.00868	0.5
75.02814	1.2
83.01376	1.9
85.02952	3.9
86.00089	0.6
87.00894	0.9
89.02457	1.0
93.03444	0.4
95.01385	0.7
97.02987	0.4
99.00881	1.1
101.02442	4.3
102.19747	0.3
109.02975	2.0
111.00896	0.5
111.78613	0.3
113.02453	2.0
117.03471	0.5
119.03531	0.3
119.05060	0.7
121.02990	0.8
122.06081	0.5
123.04512	1.0
127.29334	0.2
132.02159	1.0
133.02960	7.1
134.03709	1.2
134.06093	0.5
135.04530	9.6
136.04863	0.8
136.07707	0.3
137.02437	1.2
139.03990	0.3
141.01897	0.3
143.03578	0.4
145.02950	1.5
148.05318	1.1
149.02449	2.1
150.03209	0.9
151.04005	0.4
152.07167	0.9
153.05641	0.3
158.03734	0.3
159.02995	0.6
160.01630	0.9
161.02449	21.6
162.02811	1.5
163.03995	0.4
163.07677	0.6
167.14420	0.4
170.15514	0.3
175.03955	1.1
179.03497	5.5
180.03825	0.5
188.07169	0.5
193.01395	1.0
193.05048	0.6
197.04547	1.8
201.01860	0.4
212.09715	0.3
238.21690	0.4
248.45935	0.3
250.06366	0.4
254.05774	0.4
254.21288	1.1
256.22864	1.4
267.06622	2.5
268.07092	0.6
282.20898	0.6
283.05942	0.8
286.30453	0.3
295.10815	1.0
300.21774	1.8
311.05627	2.8
312.05716	0.4
322.74780	0.3
323.07733	0.4
337.09256	1.2
359.07544	1.5
427.25610	0.3
441.15564	0.7
444.25977	6.8
445.26794	0.9
460.18546	1.0
462.27112	10.9
463.27478	1.2
468.49612	0.3
486.27100	1.2
486.33325	0.7
495.20459	0.3
499.12277	1.0
504.28073	100.0
505.28143	13.2
505.34204	1.9
509.10724	0.6
509.37558	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	504.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02259	0.3
55.01879	0.7
56.25754	0.3
57.03447	0.7
58.00592	0.3
59.01383	21.3
59.80596	0.3
60.01716	0.3
61.98834	2.2
69.03468	0.2
69.34981	0.3
69.75365	1.7
71.01385	7.6
71.05025	0.3
72.99306	2.5
73.02949	3.0
73.91934	0.3
74.02476	92.5
75.00868	0.5
75.02814	1.2
83.01376	1.9
85.02952	3.9
86.00089	0.6
87.00894	0.9
89.02457	1.0
93.03444	0.4
95.01385	0.7
97.02987	0.4
99.00881	1.1
101.02442	4.3
102.19747	0.3
109.02975	2.0
111.00896	0.5
111.78613	0.3
113.02453	2.0
117.03471	0.5
119.03531	0.3
119.05060	0.7
121.02990	0.8
122.06081	0.5
123.04512	1.0
127.29334	0.2
132.02159	1.0
133.02960	7.1
134.03709	1.2
134.06093	0.5
135.04530	9.6
136.04863	0.8
136.07707	0.3
137.02437	1.2
139.03990	0.3
141.01897	0.3
143.03578	0.4
145.02950	1.5
148.05318	1.1
149.02449	2.1
150.03209	0.9
151.04005	0.4
152.07167	0.9
153.05641	0.3
158.03734	0.3
159.02995	0.6
160.01630	0.9
161.02449	21.6
162.02811	1.5
163.03995	0.4
163.07677	0.6
167.14420	0.4
170.15514	0.3
175.03955	1.1
179.03497	5.5
180.03825	0.5
188.07169	0.5
193.01395	1.0
193.05048	0.6
197.04547	1.8
201.01860	0.4
212.09715	0.3
238.21690	0.4
248.45935	0.3
250.06366	0.4
254.05774	0.4
254.21288	1.1
256.22864	1.4
267.06622	2.5
268.07092	0.6
282.20898	0.6
283.05942	0.8
286.30453	0.3
295.10815	1.0
300.21774	1.8
311.05627	2.8
312.05716	0.4
322.74780	0.3
323.07733	0.4
337.09256	1.2
359.07544	1.5
427.25610	0.3
441.15564	0.7
444.25977	6.8
445.26794	0.9
460.18546	1.0
462.27112	10.9
463.27478	1.2
468.49612	0.3
486.27100	1.2
486.33325	0.7
495.20459	0.3
499.12277	1.0
504.28073	100.0
505.28143	13.2
505.34204	1.9
509.10724	0.6
509.37558	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	503.3382
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
59.01381	1.5
60.93107	0.2
69.42158	0.2
69.56788	1.2
69.57191	0.5
83.49139	0.2
94.67735	0.2
98.20518	0.5
108.22530	0.2
135.04510	0.7
145.02927	0.6
148.66910	0.3
161.02464	0.5
179.03593	0.3
187.87613	0.2
193.30000	0.3
194.61842	0.3
340.21777	0.2
351.39594	0.3
437.30472	0.6
441.33545	0.4
455.30719	0.3
459.34695	0.4
473.31824	0.4
485.32761	2.1
486.32590	0.4
503.33755	100.0
504.34088	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	503.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01089	0.8
59.01383	15.2
61.98817	2.0
67.39574	0.4
71.01373	1.2
71.05027	1.2
72.99285	0.6
83.05037	0.6
89.02402	0.8
93.76791	0.4
101.02409	0.5
113.02438	0.6
114.15912	0.5
119.05056	0.5
122.06130	0.6
123.72580	0.4
128.57774	0.5
133.02924	1.0
135.04533	1.2
161.02455	4.9
169.45644	0.4
179.03520	1.0
328.91733	0.5
368.15558	0.5
391.29813	0.5
407.29510	0.7
421.31067	1.3
425.30630	0.8
443.31726	0.8
453.30136	2.9
455.31744	3.0
485.32608	10.1
486.33261	1.2
503.33746	100.0
504.17136	0.6
504.34091	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	503.3746
Annotation	Nebrosteroid G
Peak:m/z	Relative Intensity
50.26903	1.1
50.65704	0.9
59.01369	3.0
61.98820	4.1
70.53734	1.3
71.01369	3.5
71.62888	1.6
73.63204	1.3
78.95876	2.3
79.74748	1.4
83.04982	1.4
87.00877	4.1
93.79196	1.1
99.04526	3.2
100.69420	1.3
109.02960	6.3
111.08122	2.1
113.06102	1.3
123.00873	2.4
125.09647	1.5
137.09715	1.2
139.11278	6.8
152.08408	2.5
161.02443	2.4
166.74364	1.2
207.17592	6.8
235.17018	54.5
236.17438	2.7
253.21860	1.6
287.20178	4.1
303.19516	1.3
305.21204	4.3
312.26779	1.4
317.24893	1.7
327.84180	1.1
425.31183	1.3
450.90564	1.2
465.33478	2.3
467.35690	6.3
485.36319	24.4
486.36588	4.8
503.25238	11.0
503.37415	100.0
504.25351	1.3
504.37781	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	504.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15373	0.5
59.01382	28.4
60.01714	3.2
60.49432	0.5
61.01807	0.8
61.98833	100.0
68.65595	0.4
71.32644	0.9
98.22496	0.4
107.21609	0.5
155.64986	0.5
174.99258	7.8
175.99583	1.4
177.96700	0.9
178.98549	0.9
201.02531	3.7
202.02742	4.4
202.98996	0.6
203.02309	4.3
204.00046	6.8
205.00182	0.9
217.00302	28.6
218.00659	7.7
219.00664	1.6
219.97751	54.4
220.99681	2.5
319.00168	0.5
359.01547	1.6
360.01715	7.3
360.97116	0.9
361.01382	9.2
361.98679	22.0
362.99680	2.9
486.41391	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	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
58.00596	0.2
59.01383	3.5
60.99280	0.2
61.01764	0.2
61.98846	1.0
66.63522	0.2
69.71895	0.9
71.01382	1.5
71.05029	0.7
72.99310	0.4
73.02934	0.6
74.54205	0.1
83.01360	0.3
83.05044	0.3
85.02939	0.9
87.00863	0.3
89.02439	0.7
91.42676	0.2
93.03474	0.3
95.01403	0.2
101.02454	0.6
101.77849	0.2
108.02200	0.2
113.02461	1.1
115.55730	0.2
119.05015	0.8
119.08653	0.4
121.02946	0.2
123.04472	0.2
125.02441	0.2
133.02956	0.2
135.04567	1.0
135.08191	0.1
137.02429	0.7
137.47597	0.1
161.02477	1.6
161.04575	0.2
162.02809	0.3
163.03967	0.4
164.04338	0.2
177.05569	0.2
179.03496	0.4
191.14275	0.2
225.11282	0.2
251.12857	0.5
253.10866	0.2
301.20145	0.2
325.19687	0.2
338.67590	0.2
339.05130	0.2
341.26846	0.2
343.24533	0.2
355.26526	1.2
357.25778	0.8
359.27603	1.0
369.27954	0.2
373.25253	0.6
375.26886	0.3
377.28464	0.3
379.29874	0.2
389.28326	2.4
391.26089	0.6
391.30585	1.0
393.31744	0.7
399.25366	0.3
403.30206	0.3
407.29532	5.4
408.29861	0.5
409.31155	1.4
410.31668	0.3
419.29572	0.6
421.31262	0.2
423.32681	0.4
425.30490	1.0
427.32153	0.3
435.28650	0.2
437.30374	0.5
439.32184	0.3
441.33801	1.8
442.34045	0.2
453.29922	0.5
457.33252	3.6
458.33496	0.5
459.22253	0.2
459.34796	1.1
467.15225	0.2
467.32153	0.2
473.32843	0.9
485.32748	2.6
486.32980	0.5
503.33752	100.0
504.34128	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	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07755	1.6
59.01378	5.0
61.98821	4.5
69.82053	11.5
71.01366	2.8
71.05006	2.0
98.20618	3.7
106.27045	1.7
143.91359	1.9
143.92836	1.6
161.02441	3.0
176.20540	1.8
191.55086	1.8
277.20868	1.7
323.72971	2.0
343.13110	2.3
421.30856	2.2
423.32727	3.4
439.32077	3.3
441.33701	6.1
457.33057	13.6
459.34616	3.0
467.31287	4.2
469.33350	2.9
485.32556	9.2
486.32806	3.5
503.33789	100.0
504.34229	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	503.3382
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
51.61232	1.4
57.03452	1.7
59.01377	4.3
59.94252	1.4
60.64259	1.4
60.99308	4.3
71.05020	9.6
97.06573	6.3
110.34824	1.5
121.02947	2.7
135.04538	2.7
151.66171	1.5
161.02374	3.6
179.03557	1.7
321.68225	1.6
337.25366	3.6
339.26752	2.9
391.26468	1.9
403.30280	1.8
405.31647	8.7
421.31342	5.0
423.32877	14.4
425.34610	3.9
439.26697	2.2
439.32047	9.5
441.34109	9.8
451.31903	1.8
457.33316	15.7
465.30164	1.9
467.31644	4.5
469.33328	41.2
470.33466	4.2
471.31223	2.3
483.31183	5.8
485.32755	16.6
486.33105	2.4
503.33792	100.0
504.34146	16.7
529.31671	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	503.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93215	0.2
57.03443	0.4
58.00589	0.2
59.01382	7.4
60.99289	0.2
61.98824	0.5
69.03436	0.4
71.01387	2.6
71.05017	0.3
71.62846	0.2
72.99303	0.5
73.02947	0.5
83.01402	0.3
83.05024	0.3
84.06644	0.1
85.02950	1.2
87.00874	0.2
89.02460	0.9
89.30979	0.2
90.08846	0.1
93.03459	0.7
95.01403	0.3
97.11537	0.2
101.02445	1.4
109.02912	0.3
111.00871	0.2
113.02452	1.3
117.03484	0.2
119.03521	0.5
119.04992	0.4
119.08691	0.3
123.04500	0.3
129.26778	0.2
133.02971	1.0
135.04535	3.4
137.02461	1.4
145.02936	0.7
149.02464	0.2
150.94382	0.2
160.01622	0.5
161.02454	2.8
161.04555	0.5
161.06117	0.2
162.02821	0.3
163.03998	0.4
175.03934	0.2
179.03516	2.1
195.02966	0.4
197.04575	0.3
233.11734	0.2
265.04932	0.3
294.15143	0.2
294.48889	0.2
301.20282	0.2
323.07544	0.4
339.05310	0.5
341.10254	0.9
342.10608	0.2
343.24313	0.3
353.11395	0.3
357.26117	1.0
359.27698	1.2
367.12830	0.3
373.25089	0.4
373.29077	0.4
375.27170	0.2
377.28656	0.3
379.30008	0.2
389.28461	2.1
391.26035	0.5
391.30719	0.8
393.31641	0.7
403.30295	0.4
407.29572	4.7
408.29822	0.5
409.31134	1.5
419.29578	0.7
421.31293	0.3
425.30670	0.8
427.15039	0.2
427.31509	0.2
437.30389	0.3
441.34058	1.6
442.34323	0.3
453.30176	0.4
457.33136	3.1
458.33615	0.5
459.34744	0.9
473.33170	0.3
484.58167	0.2
485.32794	3.7
486.33252	0.5
503.33789	100.0
504.34134	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	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
69.42522	0.6
69.42928	1.8
71.05011	0.9
106.06616	0.3
130.35463	0.3
135.04547	0.3
135.27301	0.3
136.07622	0.4
161.02444	1.0
233.35225	0.3
253.76843	0.2
296.84000	0.3
377.28671	0.6
393.31503	0.7
406.28534	0.6
407.29620	0.9
419.29480	1.1
421.31207	0.5
443.31696	1.3
453.30530	0.4
467.31537	1.4
468.32236	0.3
485.32693	12.5
486.33218	1.6
503.33798	100.0
504.34149	15.8
504.41730	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	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57148	0.3
55.33507	0.3
57.03439	0.3
57.54815	0.3
59.01376	3.1
65.19368	0.3
69.45585	1.4
69.46013	1.1
71.01373	0.7
71.05031	1.6
71.33446	0.3
72.74137	0.3
72.99329	0.4
74.02474	5.0
77.19228	0.3
78.39921	0.3
85.02964	0.4
97.06586	0.5
101.02383	0.4
112.23207	0.3
113.02478	0.4
133.02979	0.5
135.04485	1.5
150.02948	0.3
152.43742	0.3
161.02426	1.8
179.03607	0.4
352.17657	0.3
393.31674	0.4
405.27615	0.4
407.29684	0.5
409.30823	0.4
419.29977	0.4
421.31436	1.7
439.32162	0.4
441.33780	2.3
442.33713	0.5
443.31650	1.6
453.30115	1.0
457.33035	0.9
459.34647	0.8
462.27289	0.9
473.32501	0.7
485.32748	11.6
486.33066	2.0
497.90128	0.3
503.33777	100.0
504.27985	5.6
504.34241	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	503.338
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
59.01376	0.7
71.33903	0.7
119.08674	0.5
161.02469	0.5
224.69739	0.4
357.25604	0.8
359.27457	0.7
373.29010	0.9
389.28546	2.1
391.25742	0.6
391.30078	1.5
393.31595	0.9
407.29568	4.8
408.29761	0.4
409.31125	1.5
419.29529	0.5
437.30325	0.4
441.33713	1.6
453.30295	0.6
457.33133	3.4
459.34763	1.3
473.32565	0.6
485.32733	7.0
486.33044	0.9
503.33765	100.0
504.34158	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	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56895	0.2
57.03440	0.2
58.00601	0.2
59.01387	0.7
60.99288	0.1
61.85931	0.2
61.98837	0.8
68.81270	0.1
70.99231	0.2
71.01383	0.4
71.05022	0.2
72.99298	0.3
73.02925	0.2
83.05032	0.3
85.02947	0.2
101.02393	0.2
113.02439	0.2
119.08684	0.3
127.00336	0.3
133.02986	0.4
134.03700	0.2
134.06090	0.2
135.04552	0.9
137.02444	0.2
145.02925	0.4
149.02423	0.2
152.07294	0.2
161.02457	1.0
172.72409	0.1
179.03497	0.4
191.14430	0.2
196.74313	0.2
197.04520	0.3
239.14389	0.3
295.11023	0.2
311.05615	0.2
329.06958	0.2
343.24307	0.2
359.27432	0.4
363.26944	0.3
373.25201	0.2
377.28564	0.6
379.29987	0.7
387.26865	0.3
389.24332	0.2
389.28738	0.4
391.30090	0.7
393.32013	0.8
401.28522	0.9
403.30093	0.6
405.28107	0.4
407.29474	1.8
409.31369	3.1
410.31583	0.4
417.27969	0.7
419.29654	0.9
421.31097	4.2
422.31436	0.7
423.28519	0.3
425.30585	1.3
435.28888	0.3
439.32111	0.9
440.32242	0.2
441.33783	8.8
442.34091	1.3
453.30081	1.3
454.30692	0.3
455.31815	0.2
457.33310	5.1
458.33646	0.7
459.34845	0.5
460.18713	0.3
473.32693	2.9
474.33090	0.5
485.32773	4.5
486.33453	0.8
503.33798	100.0
504.34146	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	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.9
59.01373	1.2
64.22521	0.5
69.37172	1.7
69.37598	2.2
71.01369	0.7
77.54283	0.5
79.38120	0.5
84.68689	0.5
91.83096	0.5
97.06611	1.6
98.19942	1.3
98.20591	0.7
129.82953	0.6
163.62383	0.5
168.08809	0.5
202.81674	0.5
381.28085	0.7
387.30563	1.4
389.28528	2.8
405.31488	1.1
406.28705	5.0
407.29166	1.8
421.31238	3.3
422.15143	0.5
422.31552	0.7
423.32718	9.8
424.33035	1.6
455.31857	0.6
457.33337	0.8
459.35242	0.9
467.31799	1.5
469.33218	100.0
470.33530	16.2
485.32526	0.7
486.32941	0.6
503.33670	7.1
504.34354	0.9
513.32080	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	503.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
59.59468	0.2
64.19413	0.2
70.72870	0.2
71.05014	1.3
160.36667	0.2
258.19476	0.2
367.26398	0.3
387.66367	0.2
391.29935	0.2
393.31589	0.2
401.28662	0.4
407.29456	0.3
417.28107	0.4
419.29526	0.5
421.31058	1.3
422.31290	0.3
423.33173	0.3
425.34558	0.5
436.10999	0.3
437.30350	0.6
439.31775	0.3
443.31573	1.8
453.30322	1.0
459.34753	0.7
469.33270	0.5
471.31210	0.4
485.32721	13.9
486.33081	1.9
503.33792	100.0
504.34143	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	503.338
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.26569	0.3
57.80791	0.3
70.06244	0.5
71.05009	0.4
379.29953	0.8
407.29523	0.7
409.31152	1.1
419.29440	0.7
421.31097	1.5
425.30719	0.6
439.31894	0.7
441.33771	4.0
442.33917	0.7
443.31720	0.7
453.30005	1.1
457.33383	2.1
458.34030	0.4
459.34985	0.5
462.36255	0.4
473.32678	1.5
485.32712	9.1
486.32971	1.4
503.33777	100.0
504.34146	14.8
504.41785	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	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28999	0.4
59.01385	0.8
71.62330	0.7
73.47107	0.4
91.92028	0.4
97.06611	0.7
97.57891	0.4
116.37782	0.4
135.04520	0.5
282.25244	0.4
323.72412	0.6
387.30527	6.2
388.30704	0.7
389.28522	4.7
390.28549	0.9
405.31506	1.1
406.28775	1.2
421.26990	0.6
423.32681	8.4
424.32806	0.9
439.28760	0.8
441.33481	1.2
455.31558	2.3
467.31604	4.4
469.33200	100.0
470.33557	13.9
503.33789	6.8
504.34085	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	503.3381
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
51.24263	0.1
57.03435	0.3
59.01380	4.2
61.98817	0.5
68.72564	0.1
69.03459	0.2
71.01381	1.8
71.05018	0.2
71.66181	0.2
72.39021	0.1
72.99288	0.3
73.02949	0.5
83.01402	0.3
85.02949	0.5
87.00861	0.2
89.02462	1.1
93.03468	0.5
99.00915	0.2
101.02448	0.9
108.85017	0.1
109.02965	0.2
111.00916	0.2
113.02437	1.0
119.03504	0.3
119.05009	0.2
119.08652	0.4
123.04469	0.1
125.02449	0.2
133.02971	0.4
135.04529	1.8
136.04829	0.2
137.02428	0.6
145.02951	0.5
153.01920	0.2
160.01613	0.2
161.02449	1.2
161.04570	0.3
163.04105	0.3
163.07596	0.2
175.04015	0.2
179.03510	1.1
179.05551	0.2
191.14447	0.2
195.02946	0.2
217.52724	0.1
267.06400	0.2
284.79889	0.2
323.07867	0.2
339.05020	0.3
343.24203	0.4
357.21878	0.2
357.25845	0.9
359.27557	1.0
367.12595	0.1
373.25266	0.7
373.29282	0.3
374.25375	0.2
375.26807	0.2
387.23340	0.2
389.23706	0.3
389.28455	2.3
390.29013	0.4
391.26260	0.5
391.30658	0.8
392.30515	0.2
393.31747	0.7
399.24057	0.2
403.30191	0.2
407.29514	4.9
408.29950	0.6
409.31165	2.0
419.29733	0.6
421.31015	0.3
423.32755	0.3
425.30566	0.7
427.32227	0.2
435.29156	0.2
437.30569	0.4
439.32306	0.3
441.33954	1.7
442.34378	0.2
451.28671	0.2
453.30298	0.7
457.33179	4.1
458.33725	0.4
459.34732	1.3
473.32541	0.6
485.32718	3.0
486.33365	0.4
503.33759	100.0
504.34106	16.5
504.53934	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	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49267	0.2
54.11516	0.2
57.03447	0.7
59.01383	4.2
61.98835	1.1
71.01384	2.7
71.05017	0.5
72.81715	0.2
72.99310	0.7
73.02939	0.8
76.28329	0.2
79.58889	0.2
80.05058	0.3
81.03461	0.3
82.95434	0.3
83.01386	0.7
83.67390	0.2
85.02966	1.3
87.00861	0.4
87.04547	0.2
89.02434	0.8
90.62010	0.2
93.03465	0.5
95.01395	0.5
97.02927	0.4
97.06585	0.3
97.95944	0.2
99.00876	0.4
101.02476	1.5
106.06599	0.2
107.05051	0.3
109.02945	0.8
113.02470	1.4
117.03481	0.3
119.03492	0.4
119.05031	0.3
122.06110	1.2
123.08139	0.5
133.02948	2.3
134.03711	0.7
134.06146	0.9
135.04532	10.3
135.38452	0.2
136.04857	0.5
137.02470	1.0
143.03520	0.3
145.02934	0.4
146.06084	0.3
148.04030	0.2
149.02354	0.4
152.07193	1.7
157.01463	0.3
161.02449	8.1
161.04509	0.5
162.02750	0.5
163.03941	0.3
164.04767	2.9
168.79939	0.2
171.13878	0.2
175.03958	0.3
178.02678	0.2
179.03505	3.5
179.07127	2.2
180.03799	0.3
188.07188	1.2
197.04494	0.4
221.04666	0.3
227.03435	0.2
251.08388	0.3
253.09827	0.3
279.07654	0.3
290.97128	0.2
295.10880	1.7
305.06570	0.3
307.10947	0.8
309.03998	0.7
323.07675	3.0
357.34204	0.2
359.07706	0.4
359.28149	0.6
377.28345	0.3
391.30118	0.4
401.28226	0.4
407.29517	0.5
409.31308	1.2
412.15903	0.2
419.29855	0.3
421.31143	2.0
425.30475	0.4
439.32300	0.3
441.15604	0.6
441.33893	3.6
442.34320	0.5
453.29962	0.6
457.33316	1.7
458.33661	0.3
459.34811	0.6
460.18729	3.7
473.33035	1.0
483.30847	0.2
485.32803	4.4
486.32745	0.5
503.33771	100.0
504.18314	2.0
504.34113	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	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
58.00600	0.3
59.01371	1.2
61.98829	1.1
69.55798	1.0
71.01389	0.4
71.05027	0.2
72.99311	0.3
73.02959	0.5
75.00874	0.2
83.05045	0.3
83.14889	0.1
85.02966	0.4
88.42041	0.1
101.02410	0.1
109.02925	0.4
111.01872	0.1
111.04556	0.1
115.28239	0.1
117.03487	0.2
119.05045	0.2
119.08684	0.2
122.06110	0.2
127.00391	0.1
133.02945	0.2
134.06126	0.2
135.04532	1.1
136.04910	0.2
137.02440	0.2
145.03009	0.4
149.02408	0.2
152.07173	0.4
161.02425	1.4
161.04469	0.2
179.03503	0.5
188.07156	0.2
191.14381	0.2
197.04556	0.2
253.09947	0.2
267.06619	0.2
295.10834	0.3
307.24207	0.1
311.05634	0.3
325.19693	0.2
341.18744	0.1
343.24371	0.3
357.26102	0.3
359.27670	0.5
363.26968	0.3
369.25839	0.2
373.25156	0.3
377.28604	0.5
379.29828	0.7
382.70923	0.2
387.26859	0.4
389.24231	0.2
389.28467	0.6
391.26022	0.3
391.30383	0.7
393.27280	0.2
393.31619	0.5
401.28485	1.2
402.28912	0.2
403.29929	0.4
405.28049	0.6
407.29599	2.1
408.30045	0.4
409.31277	3.3
410.31473	0.5
417.27899	0.6
419.29550	1.0
421.31152	4.6
422.31485	0.7
423.28745	0.3
425.30603	1.3
435.29031	0.3
439.32303	1.0
441.33755	8.8
442.34195	1.2
453.30096	1.3
454.30109	0.2
455.31647	0.2
457.33295	4.9
458.33655	0.8
459.34763	0.5
460.18558	0.7
467.32053	0.2
473.32742	3.0
474.32947	0.4
485.32739	5.2
486.33459	0.7
503.33829	100.0
504.18170	0.4
504.34155	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	503.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.4
59.01091	0.5
59.01379	7.4
61.98822	1.5
66.77194	0.3
70.94774	0.8
71.01358	1.7
71.05022	26.7
72.99271	0.5
73.02948	0.9
75.00858	1.3
81.03455	1.3
83.01410	0.7
83.05009	0.7
85.02976	0.5
87.00874	0.8
89.02442	1.0
93.03436	0.5
95.05015	0.5
97.06579	0.7
98.03734	3.6
99.04526	2.9
101.02438	1.3
104.16072	0.4
107.05034	0.9
108.02171	0.7
109.02968	0.8
109.06577	0.8
111.04497	0.5
113.02448	0.8
116.92832	0.6
117.03451	1.7
119.03487	0.4
119.05014	1.1
119.08640	0.8
121.06614	0.4
122.61440	0.4
123.04497	0.8
123.08173	0.5
127.55656	0.3
133.02946	3.5
134.03650	0.6
135.04523	18.3
136.04831	0.5
137.02443	0.5
145.02953	3.7
151.07625	0.5
152.01147	0.7
153.05504	0.7
157.01326	0.4
157.10226	0.4
159.08073	0.5
161.02444	15.6
161.09703	0.6
162.02672	0.6
163.03967	1.4
163.11377	0.3
173.09441	0.3
175.03998	0.4
178.99243	0.3
179.03485	3.8
187.11237	1.4
201.09245	1.3
205.12250	0.7
221.04509	0.6
230.13078	1.3
234.64697	0.3
238.80840	0.3
249.11528	0.5
253.09175	1.3
290.13470	0.3
291.17596	0.5
295.20743	2.3
297.05630	0.4
297.09680	1.1
307.20590	2.4
317.18811	1.7
318.19418	0.4
319.20639	0.4
321.22238	1.0
323.07733	4.2
323.20139	0.8
323.23816	1.1
333.18686	0.6
333.22192	10.9
334.22610	1.6
335.20203	3.4
336.20328	0.6
339.19577	0.5
343.21146	0.9
347.23550	0.4
349.21667	0.9
351.23260	35.1
352.23560	4.5
353.21164	0.8
361.24768	0.4
363.23425	3.1
369.24365	7.9
370.24557	1.1
375.26978	0.9
387.26953	0.4
389.24741	1.9
405.27930	4.0
407.25479	0.7
413.23523	0.6
421.27200	0.6
423.28912	4.3
424.28940	0.7
427.28430	1.3
441.30099	0.5
457.29300	0.6
459.13007	5.4
460.13312	0.7
485.29144	2.5
503.30087	100.0
504.30374	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	503.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88996	0.4
57.03436	1.0
59.01125	0.4
59.01384	4.9
61.98820	1.4
67.83218	0.3
69.03451	0.6
69.50548	2.8
71.01375	1.0
71.05025	26.5
72.99315	0.4
73.02944	1.0
75.00874	0.8
77.14904	0.4
81.03461	1.4
85.02940	0.9
87.00854	0.5
89.02440	0.8
93.03463	0.4
97.06609	0.5
98.03737	3.7
99.04519	3.0
101.02437	1.1
109.02972	0.7
111.04516	0.6
113.02458	0.5
116.92859	0.5
117.03493	0.6
119.05026	0.7
119.08619	0.5
123.04510	0.7
133.02925	1.4
134.20631	0.3
135.04527	10.6
136.04854	0.5
137.02428	0.6
145.02950	2.0
150.58557	0.4
152.01259	0.5
161.02460	7.5
161.09737	0.4
162.02766	0.7
163.03979	0.6
163.07620	0.5
177.09192	0.5
179.03488	2.7
187.11284	0.7
201.09155	0.9
205.12383	0.5
230.13078	1.5
239.35625	0.4
253.09196	0.5
295.20721	2.1
307.20609	2.3
317.19064	1.6
319.20685	0.6
321.22159	0.7
323.07745	1.9
323.23712	0.8
325.21405	0.5
333.18582	0.9
333.22226	10.0
334.22507	1.3
335.20142	3.2
343.21133	0.8
349.21704	1.1
351.23306	34.7
352.23560	4.4
353.21191	0.7
361.25269	0.6
363.23322	2.2
369.24280	8.1
370.24628	0.8
375.26712	0.7
389.24606	2.1
405.27884	2.9
406.28186	0.5
407.25668	0.7
421.27664	0.6
423.29074	4.4
427.28366	0.7
457.29449	1.2
459.13086	2.1
485.29294	1.8
503.30130	100.0
504.30441	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	503.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01384	6.7
60.99304	0.9
61.98835	0.7
65.52030	0.4
71.01390	1.8
71.05023	13.9
71.62635	0.7
73.02951	1.1
81.03468	0.8
85.02937	0.5
85.14735	0.4
93.03469	0.5
98.03724	2.1
99.04494	1.1
101.02454	1.2
104.48558	0.4
113.02434	0.5
117.03457	0.8
119.05047	0.6
133.03033	0.5
135.04478	1.0
137.02490	0.4
145.02936	4.2
147.08160	0.4
161.02454	1.4
163.04008	0.6
177.01859	0.6
179.03500	0.9
295.20798	0.7
307.20596	0.9
333.22238	1.6
335.19907	1.0
343.21310	1.0
349.21536	0.5
351.23364	6.3
352.23944	0.7
353.21069	0.9
369.24393	4.6
389.24884	0.5
405.27853	0.7
407.11221	0.5
423.29053	0.7
443.22461	0.5
485.29391	0.7
491.43362	0.5
503.30164	100.0
504.30539	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	503.3014
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
52.89821	0.3
57.03424	0.9
59.01381	2.1
60.99288	0.7
61.98830	26.1
63.29137	0.4
69.03444	2.1
69.39774	0.4
69.40185	2.4
71.01364	0.7
71.05020	3.1
75.00850	0.5
89.35019	0.3
93.77798	0.3
95.04468	0.5
95.05032	5.9
98.03709	0.4
101.02450	0.4
109.02906	0.4
113.02455	0.6
113.06091	7.9
117.03449	0.6
119.04993	0.7
119.08617	0.4
133.06509	0.6
135.03587	0.4
135.04497	1.9
145.02913	1.7
146.03255	0.6
149.02423	0.4
155.72803	0.4
161.02386	1.4
179.03400	0.7
248.19916	0.3
258.35721	0.3
267.06537	0.3
293.19131	2.5
295.10706	0.5
297.18335	0.5
307.20633	0.7
309.22253	5.5
310.22311	0.5
311.19983	0.5
327.23227	2.4
333.22198	2.5
334.22662	0.5
335.23648	0.6
351.23209	2.0
353.24872	0.6
400.47159	0.3
427.28278	0.4
440.13129	0.4
441.33572	0.6
459.15854	0.4
473.32358	1.2
485.29370	0.5
503.29938	100.0
504.30203	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	503.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03538	1.0
56.74965	1.1
57.03447	1.1
59.01382	37.3
69.40283	9.5
71.01397	8.8
71.05029	2.1
72.99311	1.2
73.02962	4.9
78.05523	1.1
83.01399	1.9
83.05014	1.2
83.82169	1.3
85.02969	4.6
87.00877	1.3
89.02472	4.1
93.03478	5.1
95.01419	1.6
97.06622	1.5
99.00901	1.6
101.02429	5.4
109.02976	2.1
113.02461	5.8
116.58047	1.1
117.03511	3.2
119.05001	2.6
133.02962	2.1
134.03816	3.4
135.04546	8.1
137.02448	5.9
145.02968	8.5
150.54677	1.0
150.89633	1.0
153.01996	5.0
161.02493	4.9
161.04626	1.4
163.04071	1.7
164.78252	1.2
167.03531	1.1
170.97952	1.3
174.57742	1.0
179.03558	3.8
188.11595	1.1
189.09268	1.1
213.04115	1.1
224.11815	1.1
225.11400	2.4
242.02571	1.1
307.08182	2.2
379.30283	1.6
405.31909	1.8
407.29575	3.0
409.31204	11.0
421.30969	5.4
423.32825	4.3
439.32285	1.6
441.33801	6.7
453.30380	4.5
455.31882	2.5
457.33484	3.7
459.22476	5.2
473.32938	3.2
485.32498	3.8
503.17493	1.9
503.24924	6.0
503.33942	100.0
504.34384	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	503.2288
Annotation	Xanthanthusin G
Peak:m/z	Relative Intensity
50.73923	0.3
57.03444	0.4
58.63779	0.3
59.01382	9.4
68.83389	0.3
68.99812	3.3
70.78212	1.1
71.01385	3.4
71.55112	0.3
72.73430	0.3
72.99293	0.5
73.02941	1.0
83.01395	0.5
85.02959	2.3
85.76518	0.3
85.77094	0.3
86.25430	0.3
87.00890	0.3
89.02451	0.4
93.03458	1.0
101.02431	2.2
113.02469	1.3
115.05525	1.9
117.03468	33.7
118.03812	1.4
119.05022	21.1
120.05360	0.8
121.02947	0.4
133.02960	0.8
135.04535	0.6
142.04506	0.4
143.05026	27.1
144.05376	1.1
145.02951	100.0
146.03276	4.4
147.04503	0.4
147.21678	0.3
157.06573	0.4
159.02985	0.5
161.02425	0.8
161.04555	1.3
161.06078	1.9
161.07219	0.3
163.04004	16.3
164.04309	0.9
187.04001	42.9
188.04300	2.0
189.02867	0.4
205.05063	1.0
230.26337	0.3
305.06693	0.7
315.18057	0.9
365.08902	0.9
383.16885	0.4
425.34692	0.7
441.33621	1.2
443.20676	5.5
444.20938	0.9
457.33066	0.4
459.34857	0.4
461.21783	3.8
469.33496	0.5
485.32452	1.2
503.22852	47.1
503.33731	16.0
504.23190	5.5
504.34375	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	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	2.2
59.01382	40.4
60.99300	3.1
70.14516	4.6
71.01385	10.4
71.05012	3.0
73.02942	3.5
83.01349	1.6
85.02933	3.5
87.00919	1.4
89.02448	4.9
90.52640	1.1
92.12024	1.1
101.02427	4.4
112.72089	1.1
113.02444	10.0
119.03483	2.0
119.05027	1.4
135.04517	2.8
137.09695	2.3
145.02905	2.4
154.91376	1.1
161.02460	2.9
161.04559	3.0
162.52821	1.3
179.03415	1.5
179.05606	1.9
267.69913	1.3
269.10229	1.3
293.09155	1.2
377.24805	2.0
399.23819	3.7
409.31052	3.5
421.31235	2.3
441.30106	4.1
457.33157	1.7
459.30624	1.4
485.32428	2.1
503.34082	100.0
504.34543	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	503.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.0
60.55028	0.2
61.98824	0.4
68.01425	0.2
69.22434	0.2
71.01384	1.3
71.62946	0.2
72.99320	0.4
73.02967	0.5
83.01382	0.2
85.02944	0.5
87.00896	0.2
89.03979	0.3
93.03457	0.3
99.00830	0.2
101.02418	0.5
113.02464	0.4
117.03469	31.5
118.03795	1.1
119.05029	9.1
119.05895	0.4
120.05349	0.3
121.02962	1.5
121.85492	0.2
123.04562	0.3
125.02546	0.2
129.63373	0.2
133.02956	0.8
134.03705	0.3
135.04523	0.7
137.02435	0.3
143.05022	0.5
145.02956	100.0
146.02258	0.2
146.03288	3.8
147.04536	0.4
149.02451	0.2
156.38844	0.2
159.03001	0.3
159.04506	0.2
161.02428	1.5
163.04008	9.0
164.04338	0.3
173.66893	0.2
175.03966	0.2
179.03543	0.5
187.04051	0.6
287.20126	0.4
305.06503	0.2
309.03888	0.2
365.08731	0.4
389.10843	0.2
421.31424	0.3
439.32117	0.2
441.33679	0.4
443.20749	4.4
444.20993	0.6
454.30420	0.4
455.31113	1.2
459.11090	0.3
459.34766	0.8
467.31641	0.3
469.33151	0.6
473.32175	0.3
485.32727	1.4
486.33282	0.3
502.32471	0.3
503.22873	31.5
503.33554	9.4
504.23236	4.6
504.34323	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	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77845	1.3
55.01884	1.5
56.04714	1.7
56.57489	1.3
57.03442	6.5
57.03722	1.5
58.00589	1.5
59.01384	100.0
61.97540	1.2
69.75410	1.4
71.01390	31.2
71.05008	2.4
71.63250	2.9
72.99320	2.5
73.02950	9.6
83.01392	4.1
83.05018	2.4
85.02952	11.2
87.00882	12.9
87.04497	1.8
89.02451	24.3
94.98128	1.3
95.01405	2.5
97.02960	1.7
97.06580	5.1
101.02451	29.7
107.05038	13.5
111.41000	1.7
113.02470	15.6
119.03480	4.9
119.05043	2.5
120.05817	4.2
120.59389	1.4
123.04489	1.4
131.03625	1.5
133.02904	2.1
135.04507	12.1
141.05528	1.8
145.02950	2.8
161.02464	3.1
161.04507	8.1
161.09718	19.8
161.13409	9.5
163.03992	2.5
163.11304	2.4
179.03477	4.9
179.05530	2.7
179.10773	2.8
187.11287	31.3
188.11595	2.3
189.09210	18.0
205.12338	18.3
207.10228	6.4
249.11339	15.2
253.09294	35.0
254.09593	1.6
267.12308	7.1
355.26358	6.0
399.25262	1.8
459.22662	8.1
460.22388	2.2
461.23923	3.3
503.21408	89.2
503.33676	10.1
504.20905	12.2
504.33331	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	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
56.22948	0.9
57.03444	5.9
58.00586	1.2
59.01381	67.6
60.01720	1.3
61.98831	5.3
69.03458	1.6
69.37369	9.1
71.01382	31.5
71.05031	1.3
72.99312	3.5
73.02946	8.5
75.00895	1.4
81.03471	1.2
83.01392	3.7
83.05035	3.9
85.02957	8.2
87.00874	13.3
89.02451	23.8
91.04011	1.2
93.03462	4.0
95.01394	3.1
95.05022	1.5
97.06589	5.6
98.20641	2.2
99.00874	1.9
99.04519	0.9
101.02444	27.4
107.05029	14.0
108.02175	18.7
109.03002	5.8
109.06597	1.8
111.08201	1.4
113.02448	17.3
113.06037	1.1
115.92112	1.5
116.92870	8.3
117.03459	11.5
119.03528	6.0
119.05006	9.2
120.05883	5.1
121.02975	3.2
123.04531	1.8
123.08170	1.1
127.00367	1.9
130.08716	3.1
131.03523	1.6
131.09079	1.3
133.02963	7.9
133.10307	0.8
134.03725	2.6
135.04526	36.5
135.08214	1.4
136.04851	1.7
137.02441	6.7
139.00302	1.2
140.80237	1.2
141.05602	3.1
143.03484	2.2
145.02957	28.5
146.03494	1.2
149.02443	1.1
149.04640	1.3
149.06062	1.2
150.03192	1.1
151.04027	1.0
152.01160	20.3
152.04803	1.7
153.01901	4.4
157.01456	6.1
157.06558	1.2
159.08138	1.4
159.11789	1.5
160.01685	1.1
161.02455	17.9
161.04518	9.0
161.09729	22.1
161.13345	13.5
162.10136	1.1
163.04041	6.5
163.11282	2.4
165.05708	1.0
172.05333	1.2
175.03972	1.6
177.05493	1.1
179.03508	22.6
179.05560	2.2
179.10806	3.2
187.11284	33.0
188.11629	1.9
189.05644	1.2
189.09213	20.6
190.06430	1.2
203.10736	1.7
205.12360	20.7
207.10245	7.4
208.03780	1.0
221.04625	2.1
222.72057	1.0
223.06088	2.2
223.13345	2.3
225.11320	3.9
232.10486	1.0
249.11296	17.2
251.05641	2.2
253.09286	38.7
254.09677	1.6
267.12350	7.3
281.06686	2.5
281.17593	1.4
286.76917	1.1
323.07706	5.1
339.07224	6.3
341.08719	3.6
341.13965	6.0
341.20700	1.1
343.21140	7.9
357.08096	1.7
359.13519	1.3
361.23862	6.3
383.13260	1.2
441.30096	1.5
443.22876	1.6
445.11465	4.1
459.13379	1.5
485.20291	1.4
503.11987	26.6
503.21399	100.0
503.30405	18.9
504.12271	4.2
504.21652	12.8
504.29315	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	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08981	0.3
52.45441	0.3
59.01377	3.6
65.36655	0.3
69.91671	1.8
71.01390	2.1
74.04229	0.3
77.49474	0.3
85.02948	0.7
85.59029	0.3
89.02438	1.6
101.02448	1.6
105.03481	0.5
105.71775	0.4
107.05004	0.4
113.02483	0.8
117.03519	1.6
119.03584	0.4
123.04579	0.5
132.02199	2.8
133.02962	23.5
134.03639	0.6
135.04529	26.5
136.04874	1.3
137.02478	0.6
149.06104	1.2
160.01686	3.4
161.02448	100.0
162.02777	4.0
175.04007	1.1
177.05573	2.4
178.02817	0.4
179.03497	48.1
180.03891	1.8
203.03529	1.9
221.04543	2.8
251.05634	1.0
281.06635	1.2
323.07669	7.9
324.03601	0.4
324.07990	0.7
341.08755	56.9
342.09113	4.7
365.08737	0.4
383.09958	0.7
443.11942	1.2
503.14078	21.7
504.14420	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	Raffinose
Peak:m/z	Relative Intensity
55.01879	1.5
57.03447	1.9
58.00585	3.9
59.01380	82.8
60.01734	0.7
61.02947	0.5
69.03461	1.3
69.36929	0.8
69.37329	4.4
71.01383	80.4
72.01725	0.9
72.99303	5.1
73.02950	8.1
74.02489	1.0
75.00877	1.1
78.52375	0.5
81.03434	0.6
83.01382	4.4
85.02951	13.3
87.00877	22.6
89.02445	88.1
90.02782	1.4
95.01389	5.5
97.02945	3.3
99.00872	2.4
101.02443	56.8
102.02792	0.8
107.03473	0.9
109.02968	0.7
111.00900	2.1
113.02448	33.7
114.02776	0.7
115.04011	1.0
119.03507	15.9
125.02435	3.7
129.01907	1.1
131.03502	6.6
141.01953	1.7
143.03500	11.5
149.04538	3.6
159.02940	0.6
160.06100	0.9
161.04555	21.9
176.86049	0.5
179.05603	100.0
180.05922	2.8
203.05525	0.5
221.06653	54.6
222.06996	2.7
248.75639	0.6
263.07666	1.6
281.08743	5.4
310.21280	0.5
311.09775	1.0
323.09799	7.9
341.10852	5.7
503.16183	58.1
504.16489	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	503.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01500	0.7
58.53272	0.6
59.01382	9.5
61.98822	2.4
64.11551	0.7
70.92959	1.9
71.01379	7.9
72.61083	0.7
72.99316	0.9
73.02966	1.2
80.35847	0.7
85.02953	2.3
87.00892	1.5
89.02456	4.4
95.01376	1.3
101.02439	3.0
109.02946	3.0
111.00898	2.1
113.02447	4.2
116.92854	1.5
117.03458	1.8
119.03434	1.0
121.03024	0.8
132.02188	2.4
133.02962	20.7
134.03754	2.0
135.04529	58.2
136.04845	1.6
137.02466	3.1
147.04550	1.6
148.05296	1.1
149.06081	6.7
160.01668	2.9
161.02446	100.0
162.02782	3.2
173.95282	0.8
175.03976	6.0
177.05560	18.4
178.02740	1.4
178.05856	0.8
179.03500	65.7
179.05438	2.4
180.03865	3.4
189.05528	1.6
191.03635	0.8
193.05077	1.2
203.03508	33.5
204.03769	1.5
207.06439	1.1
221.04576	19.5
221.06606	1.2
233.04561	3.6
251.05557	4.0
281.06616	6.8
323.07715	12.2
324.08063	0.9
341.08771	29.5
341.12930	1.4
342.09067	2.7
365.08771	17.1
366.09055	0.9
383.09848	13.3
384.10312	0.8
395.10040	1.1
413.10941	5.3
425.11176	1.7
443.11963	34.3
444.12094	3.7
485.12939	1.1
503.14087	25.1
504.14374	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	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78381	0.4
59.01376	3.4
61.98842	0.7
62.03593	0.4
66.86572	0.4
69.67220	3.0
71.01381	1.7
72.99309	0.5
83.54932	0.4
89.02451	1.6
89.25083	0.4
96.95991	0.9
97.02937	0.4
98.19915	0.8
101.02477	1.1
107.05013	0.6
109.02927	0.4
113.02425	0.7
133.02931	1.8
134.03737	2.1
135.04524	84.7
136.04877	3.6
149.06062	0.9
161.02441	5.7
162.02721	0.8
177.05539	1.1
179.03499	100.0
180.03830	4.5
221.04579	2.1
221.06541	0.6
281.06668	0.8
341.08749	47.8
342.09106	3.3
347.13327	0.7
397.49323	0.4
413.10367	0.6
443.12137	2.1
503.13928	3.5
504.14801	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	503.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78129	1.2
56.46812	1.2
57.03454	1.2
59.01385	15.8
61.98838	2.6
64.52112	1.3
70.50835	1.3
71.01382	9.5
71.19948	2.7
72.99292	2.8
73.02956	6.0
75.00879	4.7
83.01392	1.6
85.02953	4.0
89.02445	3.6
99.00857	2.3
99.92596	11.7
101.02450	3.8
113.02470	3.5
116.03538	1.4
116.07191	1.4
116.92860	100.0
117.01947	6.3
117.03454	2.2
117.05558	2.3
117.92870	3.9
119.03541	1.2
132.02199	1.8
133.02838	1.6
134.03769	3.9
135.04572	2.3
160.01671	6.0
161.02414	3.9
161.04570	1.3
175.03986	6.9
177.09189	2.4
179.03499	1.9
179.05650	1.7
193.05075	4.5
235.06119	2.2
269.04565	15.2
270.04849	2.8
310.05118	3.5
310.54993	1.5
311.05756	1.8
351.05585	1.6
503.17838	9.6
503.24396	1.2
504.17780	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	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09058	1.2
59.01385	17.7
61.98834	17.6
63.99240	2.7
69.17518	1.2
70.03111	2.9
70.03521	2.9
71.01384	16.3
72.99303	1.7
75.00843	2.1
85.02950	4.5
89.02438	12.7
93.03460	1.6
95.01398	1.5
96.96027	1.2
98.98434	1.1
101.02445	9.0
107.05033	15.3
109.90133	1.1
113.01795	1.1
113.02454	8.0
116.92857	4.2
119.03493	6.0
121.02946	5.3
125.02440	1.8
125.09742	2.5
135.04529	5.8
143.03500	2.3
145.02919	1.7
161.02441	9.1
161.04509	5.9
179.03499	100.0
179.05547	6.2
180.03813	4.6
187.09663	1.6
189.01978	1.6
219.03011	4.4
219.10432	1.3
221.06505	2.1
222.79893	1.4
239.09230	3.0
293.62140	1.1
383.07980	1.9
393.08133	1.2
447.69189	1.3
501.90152	1.5
503.11435	2.6
503.16263	1.6
503.24106	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	503.1199
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01384	6.5
61.98832	2.0
66.01125	0.4
69.97285	1.5
69.97699	0.9
71.01380	2.9
72.99318	0.8
73.02962	0.6
73.07914	0.4
85.02958	1.2
87.00874	0.8
89.02428	0.7
91.05548	0.4
91.82880	0.5
93.03484	0.6
101.02443	1.2
102.06174	0.5
107.05041	1.0
109.02981	0.9
113.02456	1.2
115.57369	0.4
117.03509	0.7
119.05036	0.6
133.02957	10.2
133.03865	0.9
134.03767	3.3
135.04527	91.3
136.04871	3.1
137.02419	0.7
145.03009	0.7
149.06096	0.9
161.02448	38.1
162.02806	1.8
163.04056	0.5
165.09294	0.4
175.04152	0.5
177.05571	1.8
179.03496	100.0
180.03864	4.2
221.04509	2.9
280.80676	0.4
323.07721	36.9
324.08014	2.9
341.08777	3.7
368.11301	0.6
407.58755	0.5
407.69232	0.5
459.22485	0.6
463.31927	0.5
503.11963	9.1
503.24759	1.6
504.11978	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	502.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89762	1.0
61.98832	100.0
71.25307	1.0
71.66290	1.3
134.95854	1.0
137.18358	1.1
298.48352	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	502.2938
Annotation	Phomopsichalasin
Peak:m/z	Relative Intensity
58.62890	0.1
59.01378	1.1
60.98255	0.1
61.98847	0.1
62.96390	0.1
67.99410	0.1
70.64572	0.1
71.01382	0.3
78.95906	25.5
83.05017	0.3
96.96980	0.4
104.97543	0.1
122.98524	0.2
127.07710	0.2
134.98541	0.2
138.67845	0.1
143.03510	0.1
151.83046	0.1
152.99597	3.0
162.02011	0.1
168.04317	3.9
171.00668	0.1
194.05775	0.1
194.56038	0.1
216.89297	0.1
222.65025	0.1
224.06929	11.2
225.07269	0.4
231.21240	0.1
233.22765	0.4
242.08006	2.8
243.08299	0.1
245.04298	0.4
259.20731	0.4
275.20239	0.7
277.21713	100.0
278.22058	9.1
407.81308	0.1
413.20590	0.1
431.21964	0.1
502.29388	24.4
503.29489	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	501.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84455	2.7
59.01377	100.0
61.98800	2.6
62.88890	2.1
65.97919	2.2
69.55631	9.3
69.56068	10.0
81.91942	2.3
87.50912	2.3
95.56533	2.4
98.20604	5.0
99.92598	3.6
116.92895	5.4
149.48253	2.8
267.95801	2.8
314.41187	3.0
387.19958	2.5
418.99020	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	501.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46260	0.6
59.01389	1.6
61.98829	1.6
71.62938	0.9
80.05575	0.7
103.30060	0.7
103.86170	0.7
161.02521	1.0
187.08064	0.7
272.82278	0.8
387.30740	4.3
389.28445	6.0
390.28815	0.9
405.31705	1.4
406.28735	1.3
413.34277	1.0
423.29010	8.8
423.33139	4.3
439.27512	0.9
439.32382	10.1
440.32608	1.4
448.68576	0.7
455.31677	3.2
457.33295	4.4
467.31693	3.9
469.33209	100.0
470.33566	15.7
483.31281	2.0
501.31927	50.7
502.32443	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	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76932	0.8
61.98833	100.0
70.84332	0.7
78.95921	1.9
98.20647	1.5
152.99615	1.4
153.27577	0.8
162.91887	0.7
200.01137	0.8
277.21704	6.0
305.24789	1.8
503.20010	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	501.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92046	0.5
63.52892	0.5
66.79488	0.4
69.42632	3.9
71.05016	1.6
83.82101	0.6
97.87518	0.4
99.76679	0.4
121.16353	0.5
123.85345	0.4
234.28880	0.5
264.49841	0.5
333.27359	0.5
355.26416	0.9
363.26974	0.8
379.30280	0.7
383.33411	0.5
409.31326	1.5
411.28845	1.0
423.28705	1.3
427.32111	2.0
441.30017	0.9
453.30063	14.7
454.30283	2.2
460.04422	0.5
467.27533	0.5
471.31250	8.8
472.31528	1.6
483.31189	6.0
484.31488	1.3
501.32224	100.0
502.32544	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	501.3223
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
51.25758	0.7
52.42215	0.8
54.95532	0.7
59.01366	1.7
71.05013	3.2
71.31210	1.6
75.16504	0.7
82.17506	0.7
83.56219	0.7
83.88319	0.7
90.23460	0.6
100.43848	0.6
121.06593	1.3
277.21613	1.7
344.00760	0.9
393.27921	2.1
421.31210	1.6
441.30194	2.6
453.29532	0.8
459.31168	1.3
467.31473	1.4
483.31216	10.4
484.31534	2.0
501.13351	2.4
501.32217	100.0
502.32574	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	501.3226
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
59.01382	4.5
61.98815	0.5
70.79211	0.5
70.79537	0.8
71.01373	1.0
73.02950	2.3
83.05036	0.7
119.05017	0.5
119.08671	4.2
132.02150	0.9
134.03748	0.5
135.04521	1.3
142.72517	0.4
148.05280	1.5
160.01631	3.1
161.02443	2.0
162.02718	0.5
163.07605	0.9
167.95169	0.4
175.04025	2.8
179.03419	0.5
185.56685	0.5
193.05038	0.8
210.67079	0.4
223.14908	1.9
290.89673	0.4
337.09045	2.0
350.52008	0.5
355.24161	1.1
357.25854	2.1
371.27380	8.1
372.27713	0.9
373.29208	3.5
375.26828	0.9
389.28506	3.6
390.28989	1.1
405.27823	0.5
407.29495	0.9
437.30374	1.0
439.32129	0.9
455.31479	0.5
483.31152	65.7
484.31534	10.1
501.32236	100.0
502.32605	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	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00358	0.4
59.01382	18.5
61.98817	0.9
69.96896	1.8
71.01376	0.8
72.99298	0.7
73.02932	0.6
76.07013	0.4
83.05026	5.5
85.02958	0.7
97.06619	0.6
101.02436	0.8
110.12365	0.4
113.02451	0.5
119.08662	0.5
122.86134	0.4
130.37811	0.5
133.02943	0.9
135.04514	2.2
149.02571	0.5
161.02470	3.0
162.02744	0.6
179.03485	0.9
180.03664	0.4
186.56927	0.4
204.67880	0.4
251.14856	0.6
279.11462	0.5
305.22763	0.8
314.65668	0.5
387.26965	1.2
405.28052	2.6
417.28207	0.8
429.30038	1.5
439.32156	0.8
441.30203	0.5
457.24307	1.2
457.33224	1.3
471.30930	0.9
483.31192	16.6
484.31192	2.3
501.32230	100.0
502.20746	0.8
502.32565	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	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.01909	0.5
59.01380	100.0
60.01717	1.1
61.98830	1.4
71.01392	3.3
71.05037	0.8
72.99313	1.3
73.02952	1.7
74.02481	2.2
79.53904	0.5
83.01395	0.9
83.05049	1.7
85.02967	1.7
87.00881	0.6
88.78353	0.6
89.02448	1.7
98.19847	1.3
99.00884	1.0
101.02470	2.0
113.02470	1.7
115.92069	0.8
116.92842	1.4
117.03502	2.6
119.03541	0.9
119.05087	0.7
121.02938	1.1
123.04506	0.6
125.09732	2.0
128.84076	0.6
133.02975	1.1
135.04504	2.9
136.04875	0.5
141.01994	1.1
142.94476	0.7
145.02943	5.1
149.02425	0.6
161.02466	4.6
161.04578	1.5
163.03954	0.8
169.08731	2.0
175.04076	0.9
178.72902	0.6
179.03523	1.7
187.09700	1.0
221.15498	1.1
238.15450	0.6
247.17030	0.7
251.16513	0.8
253.09248	1.0
265.18137	2.4
300.21869	2.9
311.05499	0.7
353.24734	0.7
385.27533	0.7
399.23911	2.2
427.32706	1.0
439.32846	0.7
441.25064	2.1
451.28674	1.3
453.30121	1.3
455.31409	1.1
457.33170	1.3
471.31195	2.6
472.31595	0.7
483.31155	4.5
501.32236	47.6
502.32407	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	501.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	20.7
59.01381	20.9
60.01699	0.9
60.99282	1.1
61.98814	1.0
71.01368	4.5
72.99302	0.8
73.02928	1.9
80.85374	0.7
83.01411	0.9
83.04989	1.1
85.02925	2.3
87.00855	1.1
88.98811	6.2
89.02426	1.8
93.03459	0.7
94.47610	0.5
95.04998	0.6
95.31794	0.5
97.06567	1.7
99.00842	0.8
101.02461	3.0
101.06044	1.8
107.04978	1.7
111.04515	0.7
113.02425	2.5
119.05045	4.0
121.02890	1.8
122.03273	0.8
122.06120	0.7
123.04504	0.9
133.02922	1.7
135.04527	3.8
145.02879	1.3
161.02484	5.7
161.04469	1.5
161.09669	3.3
161.13284	1.6
162.02774	0.8
163.03932	2.2
163.07567	0.8
173.06085	0.8
174.06834	0.9
175.04012	1.5
175.07541	0.6
179.03477	1.1
187.11270	4.3
189.09171	2.8
193.04988	0.5
205.12238	1.8
207.10194	0.6
242.08096	0.8
249.11261	1.5
251.11131	1.7
293.19092	3.7
307.20636	3.6
309.22186	2.8
311.20074	2.4
323.07495	1.1
323.19891	1.0
325.21588	1.5
327.23071	1.4
333.22043	2.3
335.20035	1.4
335.23700	3.5
337.09253	0.7
347.19928	2.2
351.23282	37.1
352.23599	4.2
353.20908	0.8
353.24936	3.0
354.25262	0.9
363.19818	0.5
363.23328	7.0
364.23523	0.9
365.21106	1.8
369.24307	30.1
370.24725	3.5
380.19885	0.8
381.24228	4.7
389.26938	0.8
398.20990	0.7
406.24973	1.1
421.27484	6.6
422.27618	0.9
431.24161	2.0
439.32523	1.0
443.24176	0.8
501.28415	100.0
502.28818	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	501.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82677	2.2
55.37659	2.1
57.03422	2.3
59.01384	100.0
61.98829	3.9
63.53648	2.5
69.03448	3.3
71.01394	19.6
71.65369	4.5
72.99297	6.4
73.02933	10.5
81.03410	2.9
83.01361	3.6
83.05029	5.5
85.02943	7.5
89.02434	16.3
93.03463	3.3
96.96013	2.6
101.02433	16.2
113.02447	15.6
117.03471	11.4
119.03537	3.8
119.05033	22.0
121.02944	4.6
123.04505	10.1
124.05921	2.2
126.90467	2.7
128.90120	3.3
133.02980	3.6
135.04500	11.0
137.02388	4.4
145.02972	36.3
153.01970	3.9
161.02440	7.3
161.04599	4.1
161.09718	2.5
163.04018	42.9
179.03464	6.0
185.44785	2.7
197.04469	5.1
204.96797	2.7
251.07616	2.5
397.12888	4.4
439.32108	5.5
471.30511	2.9
483.31107	12.0
501.23401	11.6
501.32184	88.3
502.24567	3.7
502.32184	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	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65097	2.0
59.01379	100.0
61.98812	6.2
64.80360	2.4
71.01382	18.9
71.63276	2.5
72.99301	3.1
73.02937	10.6
83.01378	3.6
83.05013	5.2
85.02953	13.1
87.00883	4.3
89.02442	16.1
94.88127	2.2
101.02444	13.1
109.02950	2.6
113.02450	13.4
117.03446	9.4
119.03532	3.3
119.05035	25.3
119.80363	2.8
121.02847	3.5
123.04485	9.2
126.90509	2.6
128.90208	3.3
131.03540	2.8
133.02953	2.6
135.04514	8.6
137.02467	3.3
143.55557	2.5
145.02942	29.2
160.46933	2.2
161.02428	4.1
161.04529	4.7
163.04033	38.8
173.11908	2.3
177.09212	2.8
179.03531	4.8
203.10852	3.0
415.23669	3.0
428.97992	2.9
439.32016	5.3
457.33163	2.8
483.31299	8.1
501.23697	7.3
501.32260	58.5
502.24042	2.7
502.32370	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	501.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69569	2.0
59.01382	47.0
61.98828	11.1
69.28616	1.7
69.29009	6.3
69.29427	10.3
71.01381	4.2
72.99326	2.5
73.02929	3.0
76.04610	2.1
76.29644	1.8
85.02927	1.6
87.00887	2.2
90.26851	1.8
98.20625	3.9
101.02435	5.3
106.06589	2.5
106.72189	1.6
107.86520	2.0
113.02456	3.1
117.03465	32.1
119.05029	21.4
126.90538	5.3
128.88402	1.8
133.02916	4.3
134.06134	8.9
135.04477	7.7
143.05005	6.8
145.02956	100.0
146.03316	5.3
161.02446	11.2
161.04503	2.4
162.02756	2.2
163.04008	28.4
179.03461	2.7
187.04024	15.7
188.07153	20.8
250.03851	1.9
277.09866	2.1
295.10843	16.1
299.18753	2.3
307.10895	9.7
373.21622	3.6
391.22742	3.5
403.26279	3.0
421.27502	6.2
442.17828	13.7
457.15030	24.9
458.15491	3.5
460.18985	4.1
501.28473	37.1
502.19952	25.7
502.28067	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	501.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
57.05891	0.7
59.01382	17.0
61.98826	1.7
71.01381	5.0
71.05017	0.7
71.65599	0.7
72.99295	0.6
73.02950	2.1
77.89816	0.5
83.01402	0.8
83.05016	1.2
85.02956	1.4
87.00874	0.9
89.02447	1.2
90.58371	0.5
93.03445	1.2
97.06609	3.4
101.02444	3.2
107.05001	0.6
109.55916	0.5
111.38358	0.5
113.02448	2.1
117.03468	1.8
119.05026	100.0
120.05321	4.0
121.02971	5.1
122.03281	1.8
123.04560	0.9
131.07140	1.0
132.02180	5.2
133.02954	7.5
134.03737	6.8
135.04539	7.7
136.04822	0.8
137.02469	1.1
145.02957	3.4
146.03314	0.7
147.04579	0.5
149.06047	1.2
160.01666	18.6
160.03014	1.1
161.02454	28.6
161.04541	1.0
161.09735	1.8
161.13353	0.6
162.02914	0.9
163.04016	48.0
164.04327	2.8
175.04013	24.6
176.04216	0.9
177.05576	10.2
179.03528	4.8
179.10791	0.6
180.03983	0.5
187.11328	2.4
189.09190	1.5
193.05069	5.3
205.12296	1.6
206.01251	0.5
221.04564	2.8
249.11287	0.9
251.11406	1.0
295.76813	0.6
310.92044	0.5
323.07721	25.7
324.08084	1.4
337.09259	22.2
338.09659	1.9
385.27478	4.1
457.33392	0.7
483.31152	2.5
501.14111	20.4
501.23331	6.9
501.32242	18.7
501.37900	0.3
502.14624	3.3
502.24487	0.7
502.32755	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	501.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29039	0.5
55.01863	0.5
58.00583	0.8
59.01382	24.7
61.98833	2.0
64.23814	0.5
66.70734	0.5
69.31530	1.9
69.31955	3.4
71.01392	7.0
71.05007	0.7
72.99305	1.5
73.02953	2.1
75.00871	1.2
77.09306	0.6
83.01389	0.8
83.05037	3.2
85.02958	2.9
87.00850	1.1
89.02454	3.9
93.03450	1.0
96.88419	0.5
99.00872	0.7
101.02441	3.8
109.02965	1.0
109.06587	0.6
113.02429	3.4
117.03464	7.0
117.05592	2.5
118.03791	2.1
119.05027	100.0
120.05367	5.2
123.04537	0.8
127.00401	1.0
132.02179	8.0
133.02960	2.3
134.03745	7.3
135.04526	4.2
137.02464	1.4
145.02953	19.5
146.03299	8.6
148.05283	1.2
149.06102	2.0
150.05594	1.0
160.01660	27.8
161.02454	5.0
162.02940	0.6
163.04005	88.6
164.04352	8.1
174.80476	0.5
175.04004	27.3
176.04372	1.5
177.01875	0.6
177.05598	1.9
177.09210	0.6
178.02716	2.3
179.03452	1.9
179.05573	0.8
187.03844	0.6
193.05026	10.2
194.05362	0.5
221.04332	0.6
239.09254	1.1
279.10788	2.5
307.08215	2.1
309.22311	1.9
323.07724	4.2
327.23199	1.2
337.09271	27.6
337.21747	0.7
338.09631	2.1
341.24841	1.0
343.21292	1.0
348.38388	0.5
353.24509	0.6
365.24792	0.5
373.21683	4.1
373.26236	0.6
377.28528	0.7
387.23120	3.9
391.22882	0.9
393.27441	0.5
403.26343	9.2
404.26764	1.1
405.24353	1.4
406.24362	0.6
407.29675	0.9
420.22873	0.8
421.27551	4.7
425.30533	1.4
429.29745	1.2
437.30371	0.5
451.28314	1.8
457.33163	1.7
459.31314	0.7
483.31259	6.3
484.31329	0.9
501.13828	14.2
501.31937	27.7
502.14453	2.4
502.32230	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	500.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38286	0.4
61.98832	100.0
66.59426	0.5
69.54818	3.4
98.20586	1.0
101.02483	0.8
215.10539	0.5
388.27802	0.4
440.21152	0.9
443.77579	0.5
507.85739	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	501.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	78.4
60.01704	0.5
61.98849	1.1
69.47497	2.6
69.47901	0.9
90.97142	1.0
113.82430	0.4
119.51618	0.4
132.98195	1.4
157.03577	3.6
159.01503	1.8
174.99257	24.0
175.99515	0.5
184.45778	0.4
201.02562	30.6
202.02740	2.1
217.00310	100.0
218.00713	3.2
343.03656	2.5
359.01471	58.9
360.01617	6.5
378.96875	0.5
471.16049	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	501.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90720	1.8
53.97498	1.8
57.03450	2.5
59.01378	26.9
60.99306	6.1
69.29658	17.1
71.01381	8.5
71.05012	1.9
73.02937	2.8
83.05028	8.4
85.02963	4.3
87.00843	1.9
88.98254	3.1
88.98801	51.0
97.06595	3.1
98.19918	4.6
101.02464	4.7
107.05002	2.0
113.02464	5.0
119.05019	4.3
135.04477	2.0
145.02977	5.6
161.04547	3.4
161.09694	5.2
161.13322	4.5
163.04022	4.9
163.07700	2.7
179.10709	2.3
187.11270	7.4
189.09219	4.6
205.12361	5.0
216.35509	2.2
230.05225	1.8
248.06747	2.1
248.93286	2.0
287.54242	1.8
298.79315	2.1
483.30902	12.5
501.23428	21.6
501.32205	100.0
502.25912	1.9
502.32513	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	499.3065
Annotation	Ganoderic acid beta
Peak:m/z	Relative Intensity
52.08279	1.0
56.80980	1.2
59.01372	1.8
69.12366	1.3
69.34845	9.7
71.04998	1.5
88.98809	1.5
91.88081	1.0
123.34056	1.0
128.87540	1.0
130.02129	1.2
152.99478	1.3
161.02505	1.6
165.01671	1.1
171.91879	1.4
189.12762	1.6
217.16068	1.3
307.20670	2.2
365.81488	1.1
419.29752	2.0
421.27509	13.9
422.27829	2.0
437.30621	16.3
438.30981	3.5
455.31183	10.2
456.31793	1.9
469.29413	4.3
481.29410	5.2
499.30649	100.0
500.31107	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	499.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03698	0.6
58.00598	0.7
58.19350	0.7
59.01387	13.5
71.01358	0.9
71.62762	0.8
72.99315	1.1
73.02953	0.8
75.87298	0.6
80.32805	0.6
113.96453	0.6
122.42158	0.7
129.55235	0.6
133.03027	0.7
135.04517	4.3
140.25726	0.7
146.60941	0.6
161.02420	2.0
171.11821	0.7
179.03481	1.4
181.10228	2.3
183.11777	1.3
197.04677	0.9
298.42615	0.7
339.21140	1.1
353.22888	2.0
355.24356	2.2
357.22034	0.7
359.23682	0.9
369.21945	0.9
371.23767	1.3
373.25314	2.0
375.26929	1.9
381.25897	1.1
387.27127	1.5
389.24277	1.4
389.28638	2.8
397.25311	2.8
399.27362	1.3
401.24988	5.6
403.26410	4.0
405.28119	7.6
407.29691	0.7
413.24976	1.8
415.25952	1.9
416.26660	0.7
417.28061	9.8
418.28415	1.1
421.27338	9.4
422.27554	1.6
431.25906	1.1
435.29010	9.2
436.29495	1.7
437.30609	100.0
438.30911	14.6
439.28537	2.4
451.28564	15.0
452.28668	2.1
453.26468	3.2
455.31772	17.7
456.32065	2.2
469.29602	46.3
470.29947	6.6
481.33963	1.5
499.30380	11.1
500.31155	1.9
501.28503	2.3
525.23755	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	499.307
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
59.01382	10.9
60.35381	1.0
61.98826	1.5
71.01383	4.0
72.99284	1.2
73.02942	2.5
73.98321	7.7
83.05029	2.4
89.34943	1.0
101.02454	1.3
109.06569	1.4
117.03520	1.9
133.02928	3.6
135.04507	6.1
139.07585	1.3
145.02936	1.6
161.02458	9.7
179.03433	3.4
197.04544	1.5
208.03500	1.1
242.08203	3.0
300.65353	1.3
341.24585	2.2
361.25162	2.0
377.28525	2.8
389.28882	1.6
391.26312	1.9
405.27975	6.8
407.29547	4.5
410.52844	1.2
421.27570	1.8
437.64420	1.6
451.28531	24.6
452.28894	3.2
457.28287	1.4
469.29578	4.1
481.29666	17.6
499.30621	100.0
500.31061	12.8
508.21127	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	499.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01722	1.1
61.98835	2.5
71.01384	2.1
71.62839	0.3
72.18343	0.3
72.99321	1.1
73.02945	0.9
85.02964	0.9
87.00876	0.5
89.02472	0.8
93.03465	0.3
95.01447	0.3
97.06650	0.2
101.02426	1.5
109.02941	0.6
109.39642	0.3
113.02481	0.6
117.03461	0.5
118.11738	0.3
119.03577	0.4
119.05031	0.3
123.04549	0.4
133.02977	1.6
134.03688	0.3
135.04541	3.8
136.04861	0.4
137.02589	0.4
140.78560	0.3
145.02975	1.0
149.02560	0.3
161.02452	5.1
161.04526	0.6
162.02809	0.6
163.04022	0.5
171.92657	0.3
179.03487	2.0
181.05072	0.3
187.11317	0.6
196.03807	0.3
197.04565	0.7
225.11261	0.3
273.03510	0.5
311.05426	0.4
338.06717	0.7
397.22943	0.3
439.23871	0.4
499.14911	0.7
499.22476	0.9
499.31168	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	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29306	0.3
59.01380	100.0
59.92841	0.3
60.01712	1.4
61.98836	1.1
69.51123	2.7
71.01393	1.5
72.99329	0.9
73.02952	0.8
74.08347	0.3
81.03449	0.3
85.02958	1.1
87.00878	0.4
89.02469	1.3
93.03503	0.5
101.02464	1.5
107.05064	0.4
109.02966	0.4
109.15894	0.3
113.02492	1.1
117.03472	0.5
119.05028	0.4
123.04559	1.0
132.02216	1.1
133.02969	10.7
134.03258	3.9
135.04527	7.0
136.04869	1.7
137.02480	0.9
140.10849	0.6
143.03534	0.5
145.02969	1.2
149.02406	0.4
149.06133	0.5
161.02443	32.3
162.02774	15.5
163.02968	0.7
179.03513	3.2
180.03812	1.6
190.03288	0.4
197.04669	0.6
218.80533	0.3
220.00819	0.4
220.96570	0.4
223.13324	0.4
225.41728	0.3
242.08261	1.1
254.98003	0.3
256.53928	0.3
277.30923	0.3
278.82864	0.4
291.04315	1.8
311.05914	0.3
364.55853	0.3
366.09137	0.4
397.22253	0.6
439.12189	0.3
457.13492	0.5
462.09872	0.3
499.14420	9.8
499.21359	0.5
500.14944	1.0
500.28641	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	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	62.9
60.01712	0.5
61.98841	0.7
69.27149	0.3
71.01368	1.5
71.05015	0.3
72.99301	2.4
73.02949	0.6
77.89273	0.3
85.02972	1.0
88.04107	0.3
88.98815	1.4
89.02473	0.4
92.79620	0.3
93.03481	0.7
101.02447	1.3
107.05010	0.4
109.02956	1.0
113.02457	1.0
116.92876	0.9
117.03468	33.3
118.03819	1.1
119.05033	6.6
121.02954	0.8
121.65229	0.3
122.06143	0.5
123.04524	1.2
130.08771	0.3
133.02963	2.2
134.03741	1.0
135.04530	8.8
143.04999	0.4
145.02954	100.0
146.03281	4.6
146.04326	0.4
149.02448	0.3
152.07170	0.7
157.89207	0.3
159.04422	0.4
161.02446	7.7
161.04591	0.4
161.06123	0.3
162.02800	0.8
163.04004	5.5
164.04362	0.3
179.03494	2.9
187.04042	0.9
197.04514	2.4
242.08168	0.3
267.06671	0.4
280.06412	0.4
292.99310	0.3
311.05661	0.5
359.07626	0.4
397.22440	0.6
405.27808	0.4
415.24802	1.8
437.30588	0.6
439.13986	4.9
440.14352	0.6
455.31506	0.6
457.14926	0.8
469.29791	0.5
499.16083	21.5
499.31314	1.5
500.16568	3.2
500.30307	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	499.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.5
60.99310	16.9
69.55714	1.5
69.56130	2.4
71.01357	0.9
72.99316	0.9
88.98809	100.0
89.99121	0.8
97.06591	0.7
98.95532	0.6
101.02434	0.9
117.03429	0.5
131.49199	0.6
132.02211	1.4
133.02002	1.1
133.02960	12.6
135.04512	2.1
145.02948	1.8
149.02415	1.7
149.06070	0.7
150.03241	1.9
161.02444	61.1
162.02785	3.4
174.03172	1.6
175.03947	1.0
179.03552	1.8
200.04745	1.1
203.07123	3.2
205.08772	1.1
218.05936	0.7
225.92610	0.5
229.08688	1.4
247.09752	4.0
326.81018	0.6
337.64313	0.6
365.14069	1.9
409.12964	7.1
437.30350	0.7
469.29611	3.7
499.30447	13.5
500.31125	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	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
57.44321	1.7
59.01379	54.7
61.98822	4.4
62.21944	1.8
66.40691	1.8
67.11841	1.5
70.59475	4.7
71.01382	9.4
72.99299	9.8
73.02945	6.3
85.02952	1.7
87.00857	1.8
87.67152	1.6
89.02438	2.5
93.03435	2.1
97.81547	1.8
100.27437	2.0
101.02433	4.1
107.42453	1.7
109.02958	7.0
113.02479	4.0
113.50511	1.9
117.03410	3.0
117.24831	1.6
119.05002	2.7
122.06200	1.8
123.04491	4.0
133.02966	7.7
135.04536	27.8
137.09752	9.9
145.02974	5.7
149.02461	2.3
151.03987	4.0
152.07156	2.2
161.02457	25.0
161.04588	2.1
162.02872	1.8
163.03975	2.4
179.03514	11.2
197.04594	9.0
201.64774	1.8
203.10809	9.0
219.13878	4.6
221.11864	4.2
237.14958	24.4
242.08182	2.1
251.16516	100.0
252.16899	8.3
254.89113	1.8
265.18069	4.2
267.06567	2.4
293.17587	2.4
311.05630	3.8
437.30661	3.8
455.31857	4.0
469.29193	2.7
499.30670	79.0
500.31149	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	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
57.44321	1.7
59.01379	54.7
61.98822	4.4
62.21944	1.8
66.40691	1.8
67.11841	1.5
70.59475	4.7
71.01382	9.4
72.99299	9.8
73.02945	6.3
85.02952	1.7
87.00857	1.8
87.67152	1.6
89.02438	2.5
93.03435	2.1
97.81547	1.8
100.27437	2.0
101.02433	4.1
107.42453	1.7
109.02958	7.0
113.02479	4.0
113.50511	1.9
117.03410	3.0
117.24831	1.6
119.05002	2.7
122.06200	1.8
123.04491	4.0
133.02966	7.7
135.04536	27.8
137.09752	9.9
145.02974	5.7
149.02461	2.3
151.03987	4.0
152.07156	2.2
161.02457	25.0
161.04588	2.1
162.02872	1.8
163.03975	2.4
179.03514	11.2
197.04594	9.0
201.64774	1.8
203.10809	9.0
219.13878	4.6
221.11864	4.2
237.14958	24.4
242.08182	2.1
251.16516	100.0
252.16899	8.3
254.89113	1.8
265.18069	4.2
267.06567	2.4
293.17587	2.4
311.05630	3.8
437.30661	3.8
455.31857	4.0
469.29193	2.7
499.30670	79.0
500.31149	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	498.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.2
61.98832	100.0
71.01375	1.6
72.99310	0.9
73.02976	0.5
78.95911	0.8
83.07764	0.3
85.02954	0.7
89.02438	0.7
93.03442	0.4
93.09489	0.4
96.96033	0.5
101.02461	0.6
102.74825	0.3
108.02200	0.8
109.02969	1.1
113.02461	0.6
114.44888	0.3
119.05038	0.5
123.04520	1.7
126.90521	0.7
133.02968	0.7
135.04532	3.4
137.02475	1.2
145.02974	1.2
149.73064	0.3
152.01152	0.6
153.01938	0.7
153.05569	0.9
161.02469	2.3
161.04573	0.4
163.03979	0.5
173.11836	0.5
179.03519	1.0
191.00035	0.4
191.03577	0.4
197.04393	0.3
206.10754	0.3
227.67274	0.4
270.78430	0.4
281.06714	1.3
359.07593	0.5
391.19690	0.4
429.86871	0.5
435.13144	0.8
497.22223	0.6
498.16193	0.5
498.22968	0.6
499.18393	0.5
499.22269	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	498.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13300	0.1
52.62973	0.1
54.30052	0.1
59.01381	7.5
61.98831	0.4
68.01420	0.1
69.78214	0.6
71.01376	0.8
72.99331	0.2
73.02951	0.2
77.03977	0.2
83.01369	0.1
85.02954	0.5
89.02469	0.2
89.03973	0.3
95.05046	0.2
98.19771	0.2
101.02448	0.4
101.94837	0.1
104.02721	0.2
105.03462	0.6
107.05051	0.3
109.02950	0.1
113.02448	0.4
115.01919	0.3
117.03470	0.6
119.03535	0.1
119.05015	0.3
121.03028	0.1
123.04539	0.2
131.03781	0.2
132.02176	2.3
133.02956	37.7
134.03416	1.1
135.04524	12.5
136.04849	0.6
137.02463	0.3
139.04021	0.1
145.02983	0.3
147.04539	0.2
149.02518	0.1
149.06116	0.2
151.04024	0.1
159.04547	0.3
160.01675	0.2
161.02443	100.0
162.02771	4.7
163.04024	0.4
179.03491	10.7
180.03911	0.3
181.05075	0.3
203.03572	0.3
218.03014	0.1
247.05756	0.1
273.03366	0.9
365.08795	1.5
438.11984	0.4
456.13019	0.5
482.36639	0.1
498.14035	28.0
499.14432	3.7
499.21677	0.2
509.79199	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	497.2756
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01876	0.7
57.03456	1.1
58.00603	1.3
59.01383	43.6
60.01743	0.5
69.03462	1.2
71.01384	24.1
72.99312	1.4
73.02950	22.9
74.14685	0.3
75.00879	0.4
81.03470	0.5
83.01389	6.7
83.32523	0.3
85.02953	4.5
87.00883	2.7
89.02448	5.2
95.01392	1.4
97.02982	0.6
99.00877	1.0
101.02446	18.2
111.08167	0.7
113.02454	6.2
113.09760	0.3
119.03486	1.3
125.02449	0.7
131.03502	0.9
135.04520	0.6
143.03514	0.7
149.04526	0.7
161.02420	1.1
161.04514	1.5
179.14386	1.0
195.13872	0.9
205.15923	0.6
214.07561	0.3
223.13336	2.1
229.19489	0.4
231.21178	0.8
249.22121	0.5
275.20151	8.1
276.20407	0.7
277.21725	1.3
293.21225	27.7
294.21509	3.1
300.84897	0.4
339.93878	0.3
360.33615	0.4
437.25433	6.7
438.25641	1.0
455.26498	15.4
456.26437	1.8
479.26373	0.4
497.27530	100.0
498.27884	13.7
498.35104	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	497.2754
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
59.01380	100.0
59.38363	1.5
60.45151	1.8
61.98820	3.6
69.03471	1.5
69.57938	5.2
69.58364	5.7
71.01382	65.3
72.99292	3.7
73.02945	79.8
74.45072	1.6
83.01389	29.1
85.02936	3.9
87.00885	1.6
89.02445	8.1
92.71676	1.4
95.40309	1.4
101.02448	67.4
109.02937	2.0
113.02431	13.8
119.03446	3.7
119.05066	1.4
120.49553	1.8
125.02441	2.9
129.74281	1.3
131.03506	3.9
133.02946	11.1
135.04538	9.5
143.03462	5.3
149.02422	1.9
149.04555	3.6
150.34601	1.8
161.02457	23.5
161.04478	9.3
162.02786	3.1
179.03459	6.2
198.59013	1.5
203.05569	2.0
275.20139	50.4
276.20514	5.2
277.21918	1.7
293.21207	10.8
338.73495	1.8
405.27142	2.8
435.28058	1.8
455.26538	3.5
481.94299	1.9
497.27853	56.0
498.28442	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	497.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16621	0.5
52.38213	0.6
55.01849	1.0
56.13217	0.6
57.03436	1.0
58.00572	1.1
59.01382	42.1
71.01384	23.4
72.14061	0.7
72.99298	1.4
73.02946	21.6
75.35603	0.5
83.01398	6.2
84.24103	0.6
85.02940	4.3
87.00874	1.4
87.12685	0.5
89.02448	6.5
95.01376	0.9
99.00857	1.4
101.02444	18.8
109.52068	0.7
113.02454	6.6
119.03476	1.7
131.03485	1.0
133.02940	1.0
155.03438	0.7
160.12900	0.6
161.02367	1.7
161.04564	1.3
165.91896	0.5
176.61652	0.6
179.14352	1.4
186.40047	0.6
205.04985	0.8
223.13370	1.8
224.57680	0.5
231.21033	0.7
255.32327	0.6
275.20151	8.2
277.21683	1.4
293.21243	26.0
294.21484	2.4
366.33475	0.6
431.17044	0.6
437.25504	6.1
438.25925	0.9
455.26471	15.8
456.26743	1.7
469.33331	0.6
497.27505	100.0
498.27863	14.5
501.23538	0.6
514.11237	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	497.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.2
58.00589	2.3
59.01383	18.0
69.03432	1.4
69.45083	7.2
71.01398	6.3
71.04990	1.7
72.99300	7.6
73.02956	24.9
83.01391	2.3
83.05009	7.4
85.02940	5.2
91.93916	1.3
98.03703	1.9
98.19865	2.3
98.70370	1.2
101.02437	6.3
107.05046	1.2
111.04521	5.9
113.02470	2.8
118.95427	1.3
123.04494	2.2
123.08141	2.0
133.02969	6.2
134.03703	2.1
134.06107	1.6
135.04535	18.6
137.16008	1.1
161.02466	17.5
169.10338	1.1
170.47865	1.5
173.42586	1.1
179.03473	4.2
181.10214	2.5
187.11305	1.2
197.04532	3.1
214.79750	1.1
233.06024	1.5
242.08255	10.1
275.20096	4.6
287.18048	1.7
293.21149	1.4
339.01404	1.2
357.22156	1.8
359.23715	3.4
361.25522	3.0
369.22040	1.8
371.23663	1.3
373.25482	8.9
374.25812	1.9
375.27060	6.4
377.24634	1.9
377.28815	1.7
381.25977	5.5
382.26334	1.9
383.23694	3.1
385.21591	2.0
387.26956	5.0
389.28629	13.2
390.28922	1.8
391.26547	3.1
397.25330	29.4
398.26190	5.9
399.26996	12.3
400.23300	1.4
401.24869	16.0
402.24979	2.8
403.26791	6.0
405.28082	6.8
407.29462	5.1
408.30002	1.9
413.24881	21.2
414.25577	2.6
415.26453	35.5
416.27124	7.3
417.27988	100.0
418.28467	21.2
419.25787	4.9
421.27536	9.9
423.29001	2.7
429.24548	1.9
431.25906	25.5
432.26227	3.9
433.27582	21.1
434.27783	3.4
435.29047	64.8
436.29370	9.7
437.26813	3.5
449.26987	16.6
450.27176	4.1
453.30222	20.5
454.30234	1.9
465.03412	1.2
467.28018	58.6
468.28229	9.4
477.25330	1.3
479.27902	18.7
480.28464	2.8
497.29059	38.4
498.29459	6.7
511.26880	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	497.2754
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01870	2.4
57.03442	1.5
58.00577	1.9
59.01379	81.0
60.01691	1.2
61.98837	1.0
62.65321	0.7
69.03443	1.8
69.45635	0.7
71.01382	47.7
71.62821	1.5
72.99297	3.2
73.02945	48.6
78.95908	0.6
81.03449	0.9
82.36160	0.7
83.01385	15.0
85.02946	9.7
87.00864	2.6
89.02440	10.0
95.01369	2.4
97.02955	0.8
97.28547	0.6
99.00868	2.2
99.73859	0.6
101.02442	44.8
113.02445	13.0
119.03488	3.2
125.02438	1.8
131.03493	2.7
133.02951	4.2
135.04491	2.4
143.03464	3.2
149.04535	2.2
153.09200	0.8
155.03465	0.8
161.02441	10.0
161.04543	5.3
162.03160	1.9
163.03995	0.9
179.03470	1.1
204.03308	0.6
222.05295	3.8
223.17010	3.1
231.21213	1.1
275.20148	27.9
276.20520	2.2
277.21582	2.7
293.21207	9.9
437.25443	12.7
438.25507	1.6
441.68973	0.7
455.26532	26.0
456.26947	3.4
497.27582	100.0
498.27963	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	497.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03444	1.2
58.00582	3.0
59.01379	100.0
60.01718	1.7
61.20863	1.1
61.98832	1.7
62.99918	1.1
69.03434	2.1
71.01382	62.8
71.05028	1.3
71.62437	1.1
71.62820	1.5
72.99302	3.4
73.02945	84.8
83.01385	23.8
85.02941	5.4
87.00854	1.8
89.02437	9.4
95.01382	2.0
97.02956	1.5
99.00893	1.3
101.02439	65.3
101.69818	1.2
102.02768	1.3
109.02942	1.1
113.02444	14.7
119.03487	3.1
125.02401	2.9
131.03502	3.5
133.02942	4.3
135.04503	3.0
143.03532	5.4
149.04471	2.7
153.09192	3.3
155.03511	1.3
161.02472	11.7
161.04526	9.0
161.09695	1.7
162.02837	1.0
179.03456	1.8
186.87125	1.0
191.10680	1.5
203.05602	1.4
231.21004	1.3
235.13354	2.7
275.20142	34.7
276.20404	2.4
284.97058	1.1
293.21246	4.0
437.25528	3.7
455.26477	15.2
456.26462	1.7
497.27686	93.9
498.28067	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	497.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
56.48321	2.7
59.01379	18.1
61.98840	5.8
68.06154	2.9
69.42126	20.2
71.01378	27.2
73.02949	6.2
80.05064	8.0
85.02940	12.2
85.08896	2.6
89.02431	9.3
94.06619	7.6
96.08224	3.8
101.02464	13.4
103.02475	2.9
105.73228	2.6
106.02943	4.5
106.06611	3.9
109.05331	3.1
113.02451	13.0
120.04568	18.2
121.05331	8.0
122.06117	24.0
124.06851	3.4
124.07686	40.0
136.04008	7.7
148.04053	78.5
149.04416	3.4
150.05617	20.5
151.35562	2.7
161.04588	14.1
166.05075	9.5
168.06673	9.0
194.04622	3.6
197.07188	7.6
198.07780	3.9
200.09486	7.0
211.08707	4.1
212.09488	12.8
213.10202	4.6
215.11845	29.6
221.35873	2.9
225.06735	30.4
225.10355	7.5
226.07397	5.6
226.11096	5.3
227.11902	34.2
228.09036	3.0
228.12120	3.3
231.11395	6.8
240.09013	38.9
241.09433	4.4
243.11317	23.1
244.12131	4.0
255.08971	5.3
255.11411	65.7
256.11676	6.1
271.10986	4.1
273.12433	98.1
274.12817	6.8
275.10431	5.3
287.10278	6.5
291.13403	12.5
299.10309	20.8
305.16092	23.1
316.10654	12.0
317.11426	100.0
318.11728	12.3
334.11700	4.5
335.12527	38.0
336.12827	4.1
373.11508	2.6
437.15170	4.2
437.20514	21.3
450.94623	2.9
479.16687	70.5
480.16876	11.5
497.17990	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	497.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12713	2.6
55.01876	5.1
57.03441	6.4
59.01385	55.3
61.98818	3.9
63.98318	2.3
69.50764	10.0
69.51186	10.0
71.01382	90.2
72.99289	4.2
73.02952	29.3
83.01391	9.9
85.02953	36.2
85.06625	2.9
87.00872	4.6
89.02448	31.6
92.29137	2.5
94.06644	3.3
95.01365	6.1
97.02944	3.9
99.00883	10.2
101.01852	4.4
101.02456	56.3
104.05067	2.9
113.02450	31.6
120.04537	7.0
121.05414	2.7
122.06128	13.6
124.07664	17.8
125.02439	7.7
129.01860	2.7
131.03476	2.7
134.06042	2.4
136.04050	3.8
143.03410	5.8
143.10800	15.2
148.04073	36.1
149.04558	10.2
150.05592	9.3
159.03023	4.7
161.04576	34.3
168.06660	4.9
191.05545	3.1
192.96869	2.4
197.07021	3.1
212.09355	4.0
215.11894	9.3
225.06664	11.2
226.11064	3.3
227.11818	13.4
233.06693	3.4
240.09103	13.8
241.09650	3.0
243.11362	10.3
255.11380	22.2
273.12463	32.6
291.13574	3.0
293.08826	5.1
299.10422	5.1
305.16055	100.0
306.16437	7.7
316.10550	6.3
317.11392	40.9
318.11560	4.6
335.12457	20.1
437.20300	87.3
438.20535	6.5
441.82813	3.2
479.16724	27.5
480.16870	3.3
497.17746	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	496.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45045	0.3
61.98832	100.0
70.19277	1.0
71.01366	0.4
71.77273	0.3
84.10218	0.3
93.03458	0.5
102.26287	0.4
135.04561	0.4
136.91547	0.3
137.02444	3.7
139.04021	2.1
171.54208	0.3
179.03516	0.7
222.38760	0.3
243.64415	0.3
299.07608	1.6
340.68842	0.4
412.45773	0.3
433.13647	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	497.1301
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
54.40622	0.4
57.95176	0.4
59.01371	1.3
61.98836	0.4
71.01398	0.6
73.02956	1.2
78.95925	1.0
81.03463	0.5
83.05048	1.0
88.96667	0.5
90.31919	0.4
93.03461	9.5
98.19780	0.6
99.04504	0.4
105.39803	0.4
107.05048	1.0
109.02984	0.9
111.04520	3.4
113.02466	0.5
133.02939	5.4
133.25006	0.5
134.03740	3.6
135.04530	100.0
136.04877	4.9
137.02448	7.4
149.41620	0.5
152.01193	0.5
155.03522	1.8
161.02443	24.1
162.02834	1.0
173.04587	1.5
173.08151	0.6
178.34735	0.4
179.03497	91.1
180.03874	4.1
251.73314	0.5
291.08768	0.5
335.07718	65.7
336.08014	4.2
341.08737	3.8
377.08649	0.7
402.61221	0.5
497.12967	29.1
498.13309	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	497.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02297	2.2
58.78926	2.1
59.01376	7.6
61.98830	3.2
65.71533	2.1
70.90712	5.2
71.01363	4.3
76.39133	2.0
78.03510	2.2
80.05065	9.1
85.02927	2.3
85.76141	2.2
89.02430	3.2
93.60596	2.1
94.06627	10.9
96.08170	3.7
97.01697	3.0
99.42354	2.6
101.02444	4.1
106.02980	8.2
106.06608	5.7
108.04598	4.3
109.05306	3.5
113.02457	2.2
120.04561	11.9
121.05322	8.8
122.06120	34.8
123.06951	3.9
124.04032	3.4
124.07689	47.7
124.30060	2.1
135.04506	10.6
136.04066	12.5
140.07133	4.3
145.50189	2.4
148.04045	87.8
149.04639	2.5
150.05606	33.0
152.07265	2.7
161.02457	2.6
165.73264	2.2
166.05095	11.3
168.05315	2.5
168.06546	10.8
179.03514	9.0
192.02975	2.2
194.04559	5.2
197.07152	2.5
206.08142	2.8
210.04073	6.6
212.09537	6.9
213.06770	3.0
215.08333	4.2
215.11964	11.5
222.92268	1.9
225.06757	10.4
225.10419	3.2
226.07521	2.8
226.11122	5.3
227.08388	3.8
227.11859	21.9
229.09767	3.2
230.10606	4.0
231.11348	27.5
232.11783	2.6
240.08990	16.1
241.09758	8.5
242.10551	2.9
243.11349	19.4
244.11971	4.2
245.10542	2.6
245.13023	3.6
255.11339	34.2
256.11731	3.5
272.11627	11.9
273.12433	69.2
274.09857	2.8
274.12717	6.2
275.10379	22.5
282.64108	2.3
287.10303	3.2
291.13483	9.4
295.79709	2.5
299.10449	19.1
316.10660	24.6
316.65439	2.1
317.11411	100.0
318.11722	9.2
334.11789	11.0
335.08139	4.8
335.12448	28.4
437.15549	30.2
438.16113	3.8
479.09811	3.4
479.16724	70.4
480.17004	9.2
497.18311	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	495.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22321	0.2
53.59748	0.2
58.67947	0.2
59.01382	11.9
61.98833	0.6
69.73187	1.2
69.73608	0.6
71.01387	1.2
72.99303	0.8
73.02948	0.6
85.02962	0.8
87.04520	0.8
89.02441	0.4
89.03966	0.3
93.03474	0.5
98.20727	0.2
101.02446	0.9
108.02201	0.3
109.02966	0.6
113.02470	0.3
117.03471	31.9
118.03791	0.6
119.05029	12.1
120.05417	0.4
121.02969	0.5
125.09722	0.3
133.02963	1.1
135.04527	2.3
145.02956	100.0
146.03291	4.9
149.06010	0.2
150.03194	0.3
151.04057	0.6
152.01201	0.4
161.02469	2.2
163.04013	18.2
164.04382	0.8
171.21045	0.3
179.03470	0.7
187.09772	0.5
197.04645	0.3
200.99719	0.4
201.01898	0.6
258.40881	0.3
311.96429	0.3
408.41660	0.2
435.20169	3.9
436.20572	0.6
453.21146	0.5
495.22354	27.8
496.22705	3.5
504.16656	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	495.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09959	2.7
56.15366	2.6
57.03442	10.5
58.00604	4.0
59.01381	100.0
61.98824	8.4
62.17005	2.4
65.13609	3.1
69.03449	5.2
69.56390	8.3
69.56823	9.3
71.01385	58.1
72.99317	3.0
73.02956	2.8
75.00912	4.2
83.01362	3.3
83.74658	2.3
85.02953	15.7
87.00880	5.2
89.02447	82.0
93.03448	14.2
95.01388	10.0
98.19880	5.7
101.02444	8.3
109.02969	4.6
111.00872	17.8
113.02448	54.0
117.03506	4.3
119.03447	3.1
123.00866	3.8
131.03499	18.6
135.04514	6.6
136.01663	4.6
137.02451	34.5
141.01952	27.4
143.10764	7.1
145.02928	8.9
147.04494	4.2
149.04558	34.0
151.03934	3.2
161.02431	10.4
162.03197	15.7
163.04037	6.8
177.05568	5.3
179.03474	24.2
209.04532	5.8
220.73642	2.8
239.05592	25.9
265.57446	2.6
291.07199	40.7
299.07700	5.4
325.09338	4.1
385.19644	3.3
477.14029	12.6
495.14804	5.1
495.25180	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	495.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01378	16.9
60.94095	0.3
61.98824	3.1
68.99834	0.3
69.93485	1.6
71.01379	1.0
73.02943	0.7
83.01397	0.4
85.02953	0.9
87.04510	8.5
89.02440	0.4
92.41936	0.3
97.20522	0.3
101.02423	1.0
103.04031	0.4
106.33256	0.4
109.02937	0.4
113.02432	0.6
117.03465	30.1
118.03809	1.2
119.05024	13.7
120.05313	0.7
125.09695	0.8
133.02971	0.5
135.04535	1.0
143.05038	1.8
145.02950	100.0
145.12320	0.4
146.03299	4.2
147.04529	0.5
161.02423	1.6
163.04004	13.0
164.04341	0.4
165.01973	0.5
175.03957	0.4
179.03386	0.4
187.03976	2.8
187.09747	1.1
188.04445	0.3
201.01935	0.7
241.96753	0.3
271.11847	0.7
298.07233	0.4
349.62454	0.4
435.20728	0.3
495.22415	32.6
496.12598	0.5
496.22852	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	494.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43095	0.3
51.79174	0.3
60.86084	0.3
61.30862	0.3
61.98832	100.0
70.66946	0.5
70.67313	0.8
71.01385	0.5
75.00861	0.3
93.03472	1.2
96.96069	0.3
116.92845	0.3
118.54088	0.3
119.50494	0.3
137.02438	3.4
189.10017	0.3
257.52347	0.3
283.06894	0.3
290.79263	0.3
293.08798	0.4
431.11456	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	495.1145
Annotation	tarocin A1
Peak:m/z	Relative Intensity
52.23457	1.1
59.01363	3.5
59.14285	1.2
61.98829	8.3
63.29145	1.0
69.64348	0.9
71.01385	4.1
71.14928	1.5
71.15258	1.6
73.02951	1.6
78.95911	19.7
81.03423	1.9
83.01373	1.7
85.02956	1.3
96.96963	9.5
101.02452	2.5
107.01379	2.6
108.02177	63.0
108.37273	1.2
109.02964	36.2
111.00903	2.1
112.98839	1.2
113.02433	1.5
121.02913	4.0
123.00894	7.4
125.02430	1.5
127.00357	1.7
135.00900	2.3
135.04518	2.1
136.09068	1.1
137.02432	4.1
138.03264	1.8
139.00400	1.9
139.04028	2.5
151.04041	1.1
152.01158	60.9
153.01950	29.9
153.05533	3.5
161.02449	1.3
166.99875	2.2
167.03531	1.4
168.00598	2.6
181.01462	2.1
182.02185	5.7
183.02959	14.3
193.20596	1.1
197.04529	8.2
225.04166	1.7
315.07190	4.6
327.07318	10.2
333.14740	5.1
341.08813	3.6
451.12405	5.2
463.08789	4.9
495.11465	100.0
495.19775	11.8
496.11713	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	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
55.60271	1.2
57.03450	1.5
58.00597	1.3
59.01379	100.0
61.98836	7.6
70.97649	3.0
71.01382	31.2
72.99311	15.4
73.02949	4.2
74.02443	1.7
75.00867	3.9
83.01401	2.2
85.02967	10.1
87.00882	2.7
89.02448	27.2
93.03460	2.9
95.01373	1.7
96.96054	1.4
99.00874	1.6
99.04516	1.3
100.78906	1.2
101.02441	18.5
108.02192	1.9
109.02972	8.1
113.02443	16.7
116.92874	1.9
117.03468	17.1
119.03506	14.1
119.04997	5.8
121.02950	18.7
123.04554	7.0
123.08173	3.9
124.19008	1.2
131.03494	2.7
133.02959	10.9
135.04529	20.9
136.04930	1.5
137.02519	1.4
143.03505	3.1
145.02957	61.4
146.03294	3.0
147.04520	4.1
149.00951	1.8
151.04031	1.6
153.02005	1.5
159.04465	2.1
161.02446	39.3
161.04491	8.1
163.04015	5.2
167.03493	2.1
173.02409	6.3
179.03465	10.9
179.05595	11.4
181.05081	2.4
197.04535	4.8
239.07132	1.6
257.08182	6.9
258.47180	1.3
267.06683	2.5
269.04840	1.7
269.08142	8.1
271.19247	1.8
295.06088	37.3
295.09439	1.9
296.06357	4.7
298.65692	1.4
311.07556	1.8
313.07162	4.7
331.08234	21.2
332.08560	1.7
347.13437	47.2
348.13846	3.0
357.86584	1.4
433.24399	21.1
433.29858	2.1
434.25201	2.6
442.01749	1.5
493.11392	3.0
493.17209	11.5
493.23349	1.7
493.29965	2.9
494.17654	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	493.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	39.4
61.33032	30.9
61.61424	31.0
61.98824	100.0
71.47903	29.7
71.48241	43.3
97.67081	38.3
102.63663	34.5
111.29655	33.3
135.04489	42.8
137.47745	31.3
154.57356	45.1
161.02448	59.5
172.73718	34.4
183.44716	44.2
208.17857	41.2
279.22723	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	493.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51929	84.7
69.52360	100.0
123.06660	28.8
125.82066	31.2
134.46556	26.5
161.02399	44.5
279.22574	34.8
287.22314	24.7
308.40149	25.8
393.43472	27.9
446.58014	24.5
514.31848	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	494.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80651	0.8
59.01384	23.2
60.01728	0.9
61.98834	100.0
66.09103	0.9
66.19087	0.9
69.03451	1.3
70.17235	0.8
71.01382	5.8
71.62884	0.9
72.99306	5.7
73.02966	2.0
75.00889	2.3
83.01400	1.8
85.02956	3.4
89.02439	2.0
93.03478	1.5
101.02449	3.9
109.02962	6.3
111.00865	1.6
113.02447	3.6
116.92892	1.3
117.03485	1.9
119.03402	0.9
119.05038	1.6
121.02942	5.6
123.04552	3.5
124.04868	0.8
124.07689	3.7
125.02503	1.4
126.05611	6.1
131.17699	0.8
133.02988	2.4
134.03566	0.8
135.04530	8.3
136.04887	1.7
137.02478	1.8
142.08777	6.0
145.02924	5.2
146.03340	1.0
147.04529	1.8
148.05316	18.7
149.05922	1.2
150.05557	1.0
152.01147	1.8
153.01913	4.1
159.04657	0.9
161.02469	4.8
161.04564	1.4
162.02789	1.4
163.04018	1.5
163.07658	9.9
166.08722	1.5
168.06653	10.3
176.06091	0.8
179.03488	5.1
180.03735	0.8
186.07732	2.9
192.06670	3.0
197.04507	4.3
210.07733	2.9
213.05571	1.5
222.44144	0.9
225.05516	0.9
241.05081	3.1
243.06638	2.7
250.93927	0.9
251.03494	1.4
267.06528	1.4
268.03848	9.3
268.06738	1.5
269.04492	8.1
270.04984	1.0
270.09814	1.0
271.06055	0.9
287.05524	4.6
295.06146	8.2
296.06442	11.6
297.03973	2.3
297.06909	1.2
307.94632	0.8
313.52917	0.9
315.05032	5.8
331.08368	1.3
332.08377	2.2
431.09805	10.8
432.10089	1.2
433.28363	1.2
452.29678	1.1
494.12204	3.0
494.20261	11.0
494.30734	1.4
495.09152	6.7
495.20157	1.1
495.31888	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	493.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.2
59.01382	9.5
60.01714	0.3
61.98817	0.5
68.99818	0.4
71.01382	2.2
71.62894	0.4
72.99302	0.7
73.02941	0.9
75.00872	0.5
80.91681	2.1
83.01387	0.3
85.02941	1.1
87.00903	0.2
89.02442	0.4
90.27387	0.2
93.03416	0.5
101.02450	1.4
108.02210	0.3
109.02967	0.4
112.10158	0.2
113.02440	1.0
115.03962	0.2
117.03467	31.4
118.03768	1.4
119.05027	7.9
120.05375	0.5
121.02953	0.4
123.04532	0.6
125.02444	0.3
133.02919	0.7
135.04529	1.3
137.02412	0.8
143.03513	0.3
143.03891	0.3
143.05014	2.5
145.02950	100.0
146.03296	4.0
148.05304	0.3
153.01857	0.3
161.02449	2.6
161.04543	0.5
163.04013	12.3
163.07649	0.5
164.04349	0.4
179.03514	0.8
187.03987	3.7
197.04536	0.4
216.01305	0.2
267.06696	0.3
289.23697	0.4
306.18726	0.3
331.08261	0.5
433.18790	0.3
433.27902	1.5
451.20169	0.3
451.29102	0.9
493.20828	31.6
494.21127	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	493.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	0.6
59.01384	12.2
61.43293	0.5
61.98834	3.4
69.29502	1.5
69.29934	1.9
71.01380	2.3
71.25317	0.3
72.99306	1.3
73.02935	0.7
78.95914	0.9
82.53357	0.3
85.02927	1.0
89.02457	0.6
93.03458	4.3
98.20721	0.5
99.00889	0.6
101.02443	1.0
109.02922	0.6
113.02417	0.6
117.03470	29.0
118.03814	1.1
119.05026	11.8
120.05329	0.4
121.02982	0.3
123.04522	0.5
129.17859	0.3
133.02943	1.3
135.04526	3.5
136.04869	0.3
137.02440	7.9
138.02715	0.4
143.04994	0.4
145.02954	100.0
146.03305	4.6
147.04546	0.4
161.02467	2.8
161.04588	0.5
162.02800	0.5
163.04013	16.9
164.04335	0.9
173.06099	0.4
175.07495	0.4
179.03505	2.0
187.03949	0.7
187.07657	1.9
188.04507	0.4
197.04500	0.8
202.06299	0.5
207.65138	0.3
231.10205	0.9
235.43269	0.3
236.46010	0.3
267.06540	0.5
275.09256	0.5
331.08344	0.6
331.62930	0.3
387.16943	0.4
404.21219	0.3
433.18719	3.2
434.19324	0.5
451.19598	0.8
455.13553	0.9
493.20874	25.3
493.30023	1.7
494.21271	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	493.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
57.61535	0.2
59.01376	7.6
61.98825	0.6
71.01382	1.1
72.99313	1.3
73.02947	0.6
75.00902	0.3
83.01402	0.4
85.02966	0.4
87.00901	0.2
87.84535	0.2
89.02448	0.2
89.03928	0.2
91.40104	0.2
98.20628	0.6
99.90029	0.2
101.02441	1.0
106.96021	0.2
109.02950	0.4
110.56759	0.2
113.02412	0.4
117.03465	30.6
118.03783	1.1
119.05029	7.2
120.05347	0.2
121.02976	0.6
122.06136	0.3
123.04502	0.5
131.29527	0.2
133.02974	1.4
134.03851	0.4
135.04504	2.0
136.04857	0.2
137.02414	0.3
145.02951	100.0
146.03279	4.1
161.02446	4.6
162.03012	0.5
163.04005	10.9
164.04330	0.4
179.03450	0.9
187.04002	0.6
197.04472	0.4
219.10327	0.3
219.40488	0.2
220.23889	0.2
262.49734	0.3
265.18646	0.2
268.73663	0.2
293.10226	0.9
294.04688	0.3
295.05911	0.3
310.97635	0.2
328.90945	0.3
331.08264	0.4
331.24594	0.3
433.18771	2.6
451.19611	0.9
455.13391	0.5
493.20828	23.5
493.29785	1.2
494.21112	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	493.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14304	1.3
59.01390	8.0
61.98832	100.0
64.12454	1.3
69.80018	1.5
69.93488	7.0
71.01380	10.6
73.80382	1.4
75.00871	1.5
83.01408	1.6
89.02474	8.4
93.03448	2.5
96.60991	1.4
96.96048	1.4
97.02930	1.5
98.19881	1.7
99.00888	2.1
101.02456	3.3
101.29057	1.3
109.02983	2.4
123.00796	1.5
124.01643	2.0
125.02444	5.8
128.79532	1.4
137.02423	3.8
149.04561	2.7
233.06644	2.0
293.08777	12.3
433.13577	4.3
511.80511	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	493.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
59.01382	79.0
60.72780	1.3
61.85625	1.3
61.98835	32.5
69.03461	3.3
71.01384	27.9
71.63071	1.4
72.99305	6.6
73.02958	9.7
75.00886	9.9
78.95903	3.8
81.03471	11.6
83.01379	4.7
83.05029	4.5
85.02955	24.0
87.00900	2.4
89.02458	9.5
93.03471	4.5
95.01409	9.8
95.05029	16.5
97.02969	2.2
97.06611	1.8
99.00888	3.8
101.02457	17.8
108.02181	36.7
109.02961	100.0
109.06594	5.4
110.03313	5.8
113.02465	14.0
117.03497	2.4
119.03522	3.5
121.03028	2.0
123.00923	6.7
123.04523	7.5
125.02484	1.6
133.02989	3.2
133.06621	3.2
135.04555	14.0
135.08179	17.2
137.02452	5.5
138.85902	1.2
139.11301	3.6
141.05571	9.8
143.03409	1.6
145.02995	4.4
151.04027	4.8
152.01143	1.7
153.01962	3.8
159.02963	2.5
159.04495	2.5
159.08188	2.4
161.02437	11.9
161.04556	11.6
161.05792	1.8
162.02824	2.1
163.04089	1.4
167.03494	1.7
175.07784	1.4
177.09216	27.2
179.03476	3.7
179.05743	2.6
179.07158	8.9
183.10258	3.5
190.37206	1.3
195.10262	46.0
196.10605	1.4
197.04518	3.0
203.03625	2.0
203.05603	1.9
206.51239	1.7
221.08228	7.5
239.09200	5.4
253.07323	3.2
267.06897	3.0
269.04605	7.3
269.07849	2.9
270.08295	2.1
271.08707	3.3
295.06149	2.4
315.07809	2.4
331.08545	2.6
357.06104	1.8
358.06415	2.0
359.06772	4.2
431.09750	5.9
433.24396	12.0
493.10013	2.8
493.17261	58.1
493.23224	6.0
493.30307	6.8
494.17731	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	493.1143
Annotation	Salvianolic acid A
Peak:m/z	Relative Intensity
59.01384	9.6
61.98833	24.7
65.32600	0.6
69.03458	0.5
69.31224	4.9
71.01369	1.9
72.99309	19.1
75.00867	0.7
88.25205	0.5
89.02433	0.8
93.03468	5.5
96.96024	1.0
98.20643	1.1
99.04480	0.7
101.02444	1.0
108.02121	0.7
109.02966	6.7
113.02450	1.4
115.92036	0.6
116.92847	1.8
117.03468	1.5
119.03508	0.6
119.05021	0.9
121.02956	28.2
122.02489	8.2
122.03311	1.0
123.02869	2.6
123.04530	5.9
133.02957	5.9
135.04524	19.5
136.04039	1.3
136.04922	0.8
137.02411	1.7
137.04413	0.5
142.08681	0.7
145.02951	6.1
147.04539	2.6
148.05292	1.5
159.04524	1.5
160.01660	0.6
161.02444	19.0
163.07637	1.2
168.06638	0.7
173.02428	14.2
174.02864	1.0
177.01930	0.6
179.03479	9.1
180.03883	0.6
186.03212	1.4
187.03851	0.6
193.06500	0.6
196.05284	0.6
197.04524	10.2
197.06171	1.0
198.04929	0.8
206.80852	0.5
208.10664	0.7
211.07562	0.9
221.06152	2.4
222.06892	0.7
223.07675	1.0
235.03860	0.7
237.05611	1.1
239.07114	2.6
240.07706	0.6
248.04773	0.7
249.05527	2.5
250.06189	0.8
251.07001	1.6
254.05760	0.7
257.08136	5.4
265.05191	0.7
266.05884	1.3
267.06631	6.9
268.03809	2.9
269.08139	7.9
270.08713	0.9
277.05081	2.9
278.05811	0.9
294.05246	0.8
295.06100	100.0
296.06445	9.3
313.07172	4.3
331.08240	16.4
332.08441	1.6
347.13446	0.8
369.15421	0.6
370.15811	2.6
431.09756	3.5
493.11240	4.7
493.19058	5.0
494.19641	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	491.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.2
61.98838	10.8
72.60631	9.1
109.02935	10.6
133.02905	21.2
135.04517	100.0
161.02461	83.9
162.06943	11.0
167.12083	10.2
179.03481	97.5
196.59457	11.1
212.72607	10.8
242.22926	11.7
267.06659	27.9
277.21692	13.9
311.05579	25.9
312.63144	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	493.1142
Annotation	Salvianolic acid A
Peak:m/z	Relative Intensity
59.01384	4.9
61.98844	0.4
71.01373	0.7
72.99310	24.4
75.00871	0.6
77.03974	0.3
83.01338	0.3
85.02966	0.4
93.03468	0.5
95.05019	0.4
101.02472	0.7
105.03459	0.8
107.05042	0.8
107.10640	0.3
108.02180	0.5
109.02937	1.5
111.00888	0.3
117.03468	0.4
120.88316	0.3
121.02969	1.3
122.03746	0.5
122.06126	0.5
123.04531	10.3
124.04859	0.4
125.02473	0.4
132.02168	1.4
133.02959	31.1
134.03802	1.7
135.04530	29.6
136.04871	1.5
137.02451	1.5
139.04048	0.4
145.02954	0.6
149.02455	0.5
150.03284	0.4
151.04010	16.4
152.04387	0.6
160.01628	0.7
161.02446	100.0
162.02786	4.9
177.01926	0.9
178.02701	1.4
179.03497	16.9
180.03844	0.9
195.02979	0.4
197.04555	25.2
198.04927	1.0
219.49532	0.3
229.53407	0.4
261.73340	0.3
295.06073	2.1
309.03912	0.6
313.07053	0.5
331.08234	40.5
332.08618	4.2
352.84982	0.3
357.05856	0.4
359.07709	6.7
360.08240	0.8
373.22244	0.4
415.42221	0.3
427.37555	0.3
433.28229	0.3
451.28851	0.4
493.11255	6.3
493.32983	0.5
494.11688	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25670	0.4
57.03446	0.7
58.06622	0.5
59.01380	100.0
60.01715	1.9
61.01833	0.9
61.98838	2.0
69.33509	4.1
71.01382	5.2
71.52656	0.4
72.99333	1.3
73.02950	2.2
83.01370	1.1
85.02962	2.0
89.02427	3.3
91.90431	0.5
93.03449	1.2
95.31126	0.4
98.19830	0.9
99.28153	0.4
101.02454	3.6
108.02173	0.5
109.02956	8.2
109.03658	0.6
113.02435	2.3
116.92890	1.2
119.03531	1.7
119.05107	0.8
121.02941	0.6
125.02486	0.5
131.03596	0.5
133.02983	1.1
135.04529	3.3
135.05434	0.5
137.02463	1.9
145.02995	1.1
147.04541	1.3
149.04494	0.5
159.04527	3.3
161.02443	2.4
161.04619	1.5
163.03984	0.6
174.03171	0.4
175.04045	0.9
179.03548	1.1
179.05553	0.5
191.03564	1.1
203.03537	2.0
225.05666	0.5
234.86258	0.5
239.06992	0.5
259.06052	0.6
267.06693	2.4
268.07434	0.6
269.08105	2.9
269.20657	0.4
270.56027	0.5
295.06287	0.5
311.05780	1.1
313.07117	2.6
315.17932	0.4
329.12091	0.8
339.05194	0.6
357.06134	6.2
371.20752	1.0
389.22028	1.7
431.22974	4.2
449.23840	0.6
473.11124	0.7
491.10458	1.0
491.20322	0.6
512.48206	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63471	0.3
59.01382	100.0
60.01725	1.0
66.73943	0.3
71.01379	2.5
72.99332	0.3
73.02965	1.0
85.02971	1.0
87.75175	0.3
89.02477	0.8
98.20726	0.8
101.02412	1.7
109.02970	0.8
113.02482	1.1
135.04572	1.0
159.04411	0.3
161.02441	0.5
161.04538	0.4
269.08316	0.5
283.04904	0.4
318.76465	0.3
357.06439	0.4
371.20724	2.8
389.21863	2.6
431.22662	3.6
449.24088	0.5
473.24326	0.4
491.25040	1.9
491.30859	2.1
492.31845	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	491.2664
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01368	0.5
61.98830	0.4
66.03476	1.2
66.22891	0.3
71.02510	3.8
71.65951	0.5
73.04097	0.3
80.78638	0.3
81.93974	0.3
82.01720	1.1
83.02495	0.4
91.04528	0.3
98.01250	0.7
99.01994	0.6
107.25768	0.3
108.46379	0.3
109.02901	0.3
110.03600	1.5
111.02002	0.7
113.07195	0.6
115.08775	11.6
116.05096	2.1
118.06629	4.5
119.05022	0.7
125.07213	3.4
126.05606	2.0
131.05008	0.4
133.02963	0.7
135.04539	4.1
137.07178	0.5
141.06696	5.0
143.08253	0.4
146.06123	9.9
147.06505	0.4
148.82698	0.3
149.02420	0.5
152.08292	0.9
153.06699	0.9
153.09070	0.6
154.07474	0.3
157.05316	0.9
161.02446	3.6
162.02708	0.5
163.08795	0.9
164.09346	0.3
167.11913	0.6
168.07790	1.0
169.13448	0.7
170.09346	3.2
173.07208	1.3
174.05583	0.5
179.03484	3.3
179.11913	4.0
184.00179	1.0
184.11327	0.4
185.04860	0.4
187.05133	0.3
189.06732	0.5
194.12962	0.8
196.14542	0.7
197.08096	0.4
197.13031	1.0
200.10777	1.3
201.06648	0.4
202.12354	1.0
214.15640	4.3
215.16003	0.5
216.07733	0.6
217.13495	1.5
222.12415	0.4
224.14076	0.5
227.11919	2.8
228.10257	3.2
240.07820	1.4
240.13565	0.5
244.14444	0.7
245.12927	3.3
246.13336	0.4
248.07936	1.0
248.10602	0.6
251.15074	0.5
262.15591	3.1
267.06589	0.6
269.16196	1.5
283.13004	0.4
283.18265	0.6
299.17664	0.8
307.65933	0.3
310.15408	0.4
311.05698	0.7
312.05811	0.3
326.18744	5.7
327.18988	0.7
344.19711	3.0
442.07993	0.3
473.25632	0.6
491.26642	100.0
492.26987	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.96994	0.4
59.01382	100.0
60.01711	1.1
61.98838	1.9
67.86231	0.5
67.90844	0.5
71.01388	3.7
72.99321	3.6
73.02956	1.5
74.67276	0.5
75.00885	1.1
85.02988	1.5
89.02467	1.3
89.03996	0.7
93.03460	1.0
96.96062	0.6
98.19836	1.3
99.00916	0.7
99.71122	0.5
101.02456	2.2
107.05061	0.9
108.02146	0.7
109.02953	5.4
112.90722	0.5
113.02490	1.5
117.03506	2.3
119.05045	4.5
121.02969	2.3
123.04527	5.9
133.02962	7.6
134.03746	2.0
135.04530	31.3
136.04863	2.0
137.02475	1.8
138.21312	0.6
145.02943	7.0
146.03699	0.6
147.04610	1.0
149.02487	1.7
150.03186	0.7
151.03984	1.1
157.03004	1.2
159.04539	2.1
161.02452	22.5
162.02823	1.6
163.04002	5.7
173.02495	1.2
175.03984	1.3
178.06367	0.8
179.03493	18.6
180.03888	1.0
180.53267	0.6
183.13998	1.1
185.02583	0.6
187.07703	1.0
197.04425	2.8
201.01935	0.7
206.94623	0.5
209.06213	1.0
211.07542	1.0
211.13451	1.3
219.04623	1.0
221.06155	1.8
225.05635	0.6
227.03377	0.9
229.01421	5.6
229.14568	0.8
237.05626	2.3
239.07129	1.4
241.05031	0.8
248.04840	1.7
249.05502	3.2
250.06412	1.3
251.07338	0.7
255.06686	1.6
264.04346	1.2
265.05072	3.5
266.05780	1.6
267.06592	12.1
268.07211	1.8
275.03467	1.0
275.09357	0.6
276.04071	0.6
277.05002	2.5
283.06204	1.0
285.07822	0.8
291.02963	0.8
293.04620	9.4
293.10464	1.5
294.05191	1.2
295.06042	4.6
295.20236	0.5
311.05606	11.8
312.06009	1.3
313.07285	1.1
329.06775	2.4
329.23270	3.5
330.06845	0.6
339.05090	15.3
340.05579	2.2
341.06940	0.6
359.11459	2.8
415.14966	0.8
423.82257	0.6
447.10385	0.7
449.27448	1.0
480.47311	0.6
491.09805	1.5
491.28397	11.8
492.18845	1.1
492.29037	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79889	0.4
56.89683	0.5
58.00616	0.7
59.01381	100.0
60.01706	1.2
61.98837	3.0
64.05557	0.4
71.01387	9.5
71.65170	0.4
72.99320	1.8
73.02949	6.1
75.00882	0.8
83.01395	2.5
85.02973	2.4
87.00881	1.0
89.02448	3.7
93.03480	1.7
95.01428	0.9
99.00907	1.0
101.02450	10.3
107.05061	0.9
108.02176	3.4
109.02990	3.0
113.02460	6.4
116.92886	0.6
117.03489	1.1
119.03545	2.1
119.05054	1.5
121.02985	1.7
123.04527	18.1
124.04877	0.6
125.02445	1.1
131.03531	1.0
132.02173	1.6
133.02936	3.9
134.03777	3.7
135.04530	20.3
136.04918	1.3
137.02483	2.1
143.03545	1.4
145.02948	2.5
146.03610	0.6
146.75278	0.5
147.04512	0.6
149.02467	2.1
149.04578	1.5
149.06093	0.9
150.69427	0.5
151.00409	0.6
151.04034	0.8
152.01184	3.4
152.07164	0.6
153.01941	0.7
153.05580	16.6
154.05965	1.0
159.04495	0.7
160.01654	7.7
161.02455	10.6
161.04492	3.7
162.02838	0.6
163.04031	1.7
166.02736	1.0
167.03519	5.3
175.04004	10.9
179.03488	17.2
180.03929	1.1
181.05125	1.9
183.01749	0.5
193.05040	3.3
197.04558	1.0
221.06502	1.3
229.01425	1.6
244.39798	0.5
249.05646	1.3
255.06677	0.9
261.48572	0.5
265.05200	0.8
267.06598	5.9
267.09058	0.6
268.07068	1.0
278.05728	0.6
282.09671	0.6
285.07828	0.9
293.04590	2.9
311.05563	7.1
312.06183	1.0
329.07001	1.6
337.09299	12.3
338.09729	1.5
339.05124	2.3
339.60095	0.5
371.20715	3.3
389.21753	4.0
390.22269	0.5
395.83270	0.5
431.22992	4.0
431.27771	1.1
449.27728	1.8
491.09854	1.0
491.16205	0.6
491.28964	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	491.1553
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
59.01383	17.4
71.01395	4.8
73.02950	3.6
85.02958	1.1
101.02453	3.7
109.02950	1.8
113.02451	2.8
121.03004	1.1
122.03743	1.1
123.04531	100.0
124.04832	2.6
132.02193	8.4
133.02988	2.0
134.03757	16.4
135.04512	4.0
136.04846	1.1
149.06053	2.4
151.03998	0.9
153.05579	88.2
154.05882	3.9
160.01665	41.2
161.02312	4.0
161.04483	1.4
175.04001	57.3
176.04387	2.6
179.03563	2.1
193.05046	13.3
217.05144	1.3
255.06844	1.2
264.04242	1.8
265.05124	1.9
267.06555	5.6
293.04620	5.7
311.05753	5.1
315.10812	1.2
319.89084	0.9
337.09290	80.5
338.09579	7.8
339.05106	1.4
431.26547	1.2
449.27573	1.0
491.15656	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	491.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01381	100.0
60.01729	1.7
61.31308	0.6
61.98834	2.7
69.03467	0.8
71.01382	10.9
71.65559	0.9
72.99313	6.1
73.02956	4.1
75.00874	1.3
80.25685	0.7
83.01401	1.5
83.05043	0.7
85.02963	3.5
87.00871	1.0
89.02444	5.9
93.03471	1.2
95.01405	1.7
97.02997	1.1
99.00879	1.1
101.02456	6.1
103.04041	1.1
106.06665	1.3
107.05017	1.1
109.02952	6.3
111.00921	1.3
111.04571	0.8
113.02448	7.1
115.04072	1.1
118.98077	0.8
119.03522	1.3
119.05054	1.3
121.02976	2.5
123.04537	3.1
133.02957	7.7
134.03761	2.6
134.06155	3.0
135.04530	32.4
136.04839	1.7
137.02492	2.4
141.01976	1.1
143.03523	1.2
145.02945	3.3
147.04556	1.0
149.02426	1.2
149.04559	1.3
152.01195	0.8
153.01891	1.5
159.03188	0.9
159.04530	2.3
161.02444	23.6
161.04617	1.7
162.02870	1.3
163.04053	1.8
175.04002	1.6
177.01920	0.8
179.03502	14.9
181.05098	1.6
197.04546	3.6
209.06187	0.8
225.11345	2.1
229.01472	1.5
237.05643	1.9
238.06349	1.0
239.07155	2.0
240.04381	0.9
241.05144	1.4
249.05612	1.4
251.03581	1.0
253.05009	0.7
255.06584	3.6
264.04340	1.4
265.05228	2.2
266.05884	1.7
267.06635	17.4
268.07117	1.1
269.04767	1.2
277.05115	0.9
283.06107	1.1
285.04819	0.7
285.07657	3.8
291.07422	1.4
293.04504	5.6
295.06357	1.2
311.05615	25.2
312.06094	2.6
329.06857	2.7
330.07254	0.7
339.04935	4.1
357.06207	1.0
371.20789	1.9
389.22061	2.2
411.08887	0.7
413.25760	1.2
428.16287	2.5
431.26843	8.1
432.26962	0.9
447.10919	0.8
449.27573	4.7
460.18588	4.5
491.09656	6.6
492.10596	1.7
492.21747	2.6
492.31940	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	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25487	0.3
59.01380	18.2
60.39299	0.3
61.98840	2.6
64.98616	0.3
67.91974	0.3
69.03452	0.6
71.01385	4.1
72.99299	0.9
73.02936	2.6
75.00890	0.7
81.03457	1.1
83.01383	0.8
83.05047	0.3
85.02942	2.4
89.02451	1.1
93.03457	0.8
95.01395	1.2
97.02980	0.4
98.19904	0.6
99.00893	0.6
101.02451	3.6
108.02177	58.1
109.02973	25.3
110.03298	0.7
113.02448	2.1
117.03503	0.9
119.03522	0.6
119.05035	0.5
121.02971	1.5
122.01664	0.3
122.02496	1.2
122.03768	2.2
123.00903	1.1
123.04519	1.8
125.02455	0.5
132.02167	5.9
133.02974	6.1
134.03740	7.8
135.00899	1.7
135.03590	0.5
135.04536	7.9
137.02466	1.2
143.03484	0.5
145.02989	0.8
146.03548	0.3
147.04591	0.6
149.02405	0.6
149.04570	0.4
149.06064	1.0
151.03989	1.1
152.01157	66.6
152.92009	0.3
153.01950	20.6
154.02295	0.8
159.04521	0.4
160.01660	30.2
161.02449	22.3
161.04375	1.5
162.02811	1.2
163.04048	1.2
165.01942	1.0
165.05571	0.4
167.03503	0.8
175.04005	27.4
176.04352	1.5
177.01833	0.3
177.05522	0.4
178.02728	0.6
179.03513	4.6
181.05121	0.3
187.00365	0.4
193.05026	4.2
195.02945	0.6
197.04564	0.4
211.04016	0.5
221.04523	0.5
221.06641	0.3
224.04791	0.6
225.03958	0.4
225.11243	0.5
228.04268	0.9
229.01392	0.7
229.78093	0.3
240.04271	2.5
241.04971	2.5
242.05739	0.3
243.06599	1.1
249.05652	0.6
255.06633	0.4
257.08316	0.4
266.05594	0.3
267.06613	2.5
277.04846	0.5
285.07620	0.7
293.04709	0.4
295.06076	0.8
297.06213	0.4
311.05463	1.7
312.67297	0.3
315.07205	19.2
316.07516	1.2
323.07703	4.0
324.08136	0.4
329.06616	2.0
337.09326	1.2
339.01257	0.3
339.04944	1.6
389.21432	0.4
412.98248	0.3
431.22772	1.2
447.13004	2.4
459.09415	1.4
486.79825	0.3
491.11923	100.0
492.12326	12.5
492.18726	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	491.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01382	100.0
60.01711	2.7
61.01812	1.0
61.98832	3.9
65.03968	0.9
69.03477	1.1
71.01382	14.5
71.05020	1.0
72.99312	6.9
73.02956	4.5
75.00887	1.5
83.01389	4.1
85.02942	7.0
86.35246	0.9
87.00883	1.7
89.02453	3.8
93.03474	2.0
95.01393	2.9
95.05018	0.9
97.02930	0.8
99.00865	2.6
101.02440	11.0
108.02189	1.5
109.02955	16.1
111.00858	1.7
113.02466	8.6
117.03452	2.5
117.05599	2.0
118.98116	2.1
119.03536	2.3
119.05050	5.7
121.02965	4.8
123.04554	4.6
123.08117	1.0
125.02456	1.1
132.02213	1.4
133.02948	10.3
134.03709	3.4
135.04524	59.0
136.04868	4.2
137.02440	3.2
139.04022	1.0
143.03532	1.9
144.04610	1.0
145.02965	6.3
146.03738	1.3
147.04549	2.9
149.02409	4.7
153.01955	5.4
157.02962	2.6
159.03172	1.2
159.04507	4.8
160.01640	2.4
161.02449	30.0
161.04434	4.7
162.02763	5.2
162.64886	1.0
163.03995	5.9
173.02455	1.3
174.03130	1.0
175.04001	4.5
179.03503	44.4
180.00035	0.9
180.03868	3.4
185.02470	1.3
187.04012	1.3
196.05330	1.4
197.04514	2.3
197.06146	1.1
209.35628	1.2
211.07648	2.1
221.06061	1.9
224.04752	1.5
227.16516	1.3
229.01419	10.7
237.05542	2.4
238.06328	2.4
239.07126	3.8
241.09987	0.8
248.04680	2.0
249.05568	3.5
250.06398	2.1
251.03644	1.5
253.04941	1.5
254.05589	1.1
254.08304	1.5
255.06599	3.9
264.04279	2.4
265.04971	4.3
266.05780	1.9
267.06586	26.7
268.06912	2.1
269.08237	1.6
277.05020	4.7
283.06241	1.2
285.07727	2.7
287.22327	2.7
293.04565	15.1
294.05115	1.7
295.06061	8.6
296.06421	1.2
311.05566	24.8
312.05896	2.0
313.07291	2.1
328.08215	3.4
329.08469	5.7
329.23303	1.0
339.05069	19.7
340.05322	1.8
371.20642	3.4
389.21658	1.0
413.25308	1.5
431.26630	22.3
432.26709	1.8
449.27606	11.3
490.27097	2.0
491.10291	4.8
491.28549	6.8
492.10941	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	491.0983
Annotation	Salvianolic acid C
Peak:m/z	Relative Intensity
52.18177	0.2
59.01381	14.5
61.98856	0.3
69.47403	1.6
69.47814	0.5
71.01386	1.4
72.99308	3.8
73.02968	0.5
85.02959	0.7
89.02474	0.5
89.03996	0.3
91.05550	0.3
97.01686	0.3
98.38489	0.2
101.02433	0.6
106.06619	0.4
107.05043	0.9
108.02173	0.4
109.02965	1.1
113.02431	0.6
117.03448	0.3
119.05001	0.3
120.08216	0.3
123.04533	2.0
124.07683	4.3
133.02983	1.1
134.03760	4.1
134.06107	0.4
134.36337	0.3
135.04526	44.6
136.04875	1.7
138.05606	0.3
150.05525	0.3
157.02858	0.3
159.04495	0.6
161.02458	2.0
161.04556	0.5
163.03995	0.4
172.48380	0.3
175.03987	0.2
178.08926	0.3
179.03496	4.2
180.65979	0.2
185.66380	0.2
193.06589	1.1
196.05342	0.6
197.04535	2.5
197.06111	0.5
203.03448	0.3
209.06049	0.5
211.07629	1.2
219.04533	0.3
220.05312	0.5
221.06050	0.8
222.06511	0.3
223.07634	0.3
224.04779	0.4
225.05638	0.4
229.01501	0.3
236.04704	0.3
237.05519	0.8
238.06357	0.8
239.07175	2.1
241.05162	0.5
243.15071	0.6
248.04701	0.8
249.05533	1.2
250.06299	0.5
255.03294	0.3
264.04303	0.7
265.04984	2.3
266.05762	1.7
267.06613	43.5
268.03778	1.3
268.06979	3.8
269.04608	1.4
283.06030	0.4
283.10889	0.7
287.13980	7.2
288.14279	0.4
293.04510	1.2
301.15714	0.4
311.05603	100.0
312.05920	8.8
329.14917	1.2
339.05185	0.3
371.20728	0.7
386.75620	0.3
431.17981	0.6
431.26462	1.1
448.12433	0.3
449.27319	0.7
491.09833	29.4
491.21118	0.8
492.10181	4.6
515.51520	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	491.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81934	0.4
59.01387	1.3
61.01589	0.5
98.19802	1.1
107.05012	1.3
109.02917	3.0
117.03454	0.6
121.02965	1.0
132.02122	0.5
133.02953	7.1
134.03735	2.5
135.04527	90.9
136.04832	3.1
142.77057	0.5
145.02936	0.9
148.96907	0.4
149.02446	4.9
150.03169	1.7
161.02452	27.2
162.02737	1.2
174.03088	0.6
179.03496	100.0
180.03891	5.1
224.37851	0.5
230.20546	0.9
249.05475	0.5
250.06424	0.8
266.05869	0.5
267.06604	12.9
268.07089	1.3
283.06131	1.5
311.05573	10.1
312.05826	0.6
341.06763	1.6
349.02774	0.5
354.74170	0.5
433.07596	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	491.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65564	0.3
51.58302	0.4
53.17814	0.3
59.01387	0.4
61.74371	0.3
61.74718	0.4
64.78762	0.3
71.14789	0.6
72.99335	0.5
91.05524	0.4
95.05067	0.3
107.05022	0.6
109.02948	3.6
117.03439	0.5
121.02975	0.7
133.02959	7.5
134.03796	2.0
135.04524	82.8
136.04857	3.1
145.02917	0.6
149.02451	4.1
150.03227	2.0
153.74837	0.3
161.02446	24.2
162.02798	1.2
174.03142	0.4
179.03496	100.0
180.03838	4.7
201.01981	0.4
211.07558	0.4
221.06107	0.4
239.07191	1.0
249.05634	0.8
250.06313	1.0
266.05872	0.6
267.06607	15.7
268.06943	1.5
283.06116	1.7
297.07581	0.7
311.05615	11.9
312.06055	1.3
341.06680	2.0
365.71597	0.4
490.35046	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	491.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58973	0.4
59.01395	0.8
69.50612	1.7
69.51029	1.7
71.31892	0.4
78.08160	0.4
89.79245	0.4
98.20651	0.8
102.97106	0.5
107.05058	0.9
109.02929	3.7
117.03483	0.8
121.02982	1.2
132.02202	0.6
133.02963	5.5
134.03767	2.7
135.04526	94.5
136.04868	4.4
145.02946	1.1
149.02434	4.2
150.03220	1.9
159.04507	0.8
161.02448	16.6
162.02740	1.0
173.02409	1.4
174.03242	1.0
179.03497	100.0
180.03796	4.4
182.69646	0.4
197.05898	0.5
201.01942	0.5
211.07629	0.9
221.05989	0.8
230.53650	0.5
237.05580	0.8
239.07184	0.8
250.06346	1.5
255.06514	0.6
266.05768	0.7
267.06638	24.7
268.06906	2.5
283.06207	2.7
293.04626	0.6
311.05606	19.2
312.06015	1.6
313.06918	0.6
449.27426	0.6
491.28531	1.3
518.61963	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	490.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01387	9.9
61.98818	3.3
71.01402	2.2
73.02956	1.6
74.85346	0.9
85.02953	0.8
89.02464	2.3
92.39837	0.7
93.03478	3.1
99.00887	1.7
101.02472	1.6
108.02140	0.8
113.02466	2.3
121.02987	1.4
123.04567	0.8
132.02187	1.6
132.04642	1.0
133.03055	5.2
133.05351	51.4
134.03752	12.1
134.06021	1.5
135.04579	7.0
148.04115	0.8
148.05318	3.5
149.06064	6.5
160.01682	10.0
160.04092	2.7
161.02460	85.9
162.02884	3.2
175.04031	10.4
176.04330	0.8
179.07060	0.9
190.05064	1.1
193.05043	0.9
199.13292	0.9
214.70802	0.8
234.07649	1.1
240.04080	0.9
252.07910	5.8
253.08234	1.1
259.22711	0.8
287.65359	0.8
295.08478	9.9
310.10855	100.0
311.11163	8.1
328.11911	53.5
329.12244	5.6
339.21545	0.8
350.17197	0.9
385.99060	0.8
431.22974	1.1
490.10257	1.3
490.16846	2.3
490.23331	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	491.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60223	0.5
59.01381	8.7
61.98821	1.6
69.56589	3.5
71.01382	1.7
72.99315	11.1
75.00864	0.6
80.91691	0.6
81.84290	0.5
93.03474	1.4
95.05023	0.9
101.02470	0.7
108.02186	0.7
109.02361	0.5
109.02969	5.1
113.06123	1.5
117.03481	1.6
119.05046	3.6
121.02965	5.0
123.04524	8.2
133.02975	6.3
134.03716	1.9
135.04533	26.7
136.04883	1.1
136.40404	0.6
137.02460	1.1
145.02942	3.3
146.03705	1.5
147.04533	1.1
150.03241	1.0
151.04041	2.8
159.04489	2.0
161.02455	19.9
162.02991	1.2
163.04053	3.9
173.02419	2.1
174.20630	0.5
175.04025	1.2
177.01834	0.6
178.42383	0.5
179.02011	1.1
179.03511	12.7
180.03810	0.7
180.05795	0.8
181.06572	0.5
191.04958	0.7
193.06516	0.9
195.04509	0.8
196.05283	0.5
197.04530	7.0
197.06108	1.1
208.05345	1.2
209.06161	3.2
211.07626	1.8
213.05530	1.0
219.04533	9.6
219.10210	0.7
220.05116	2.0
221.06071	3.9
222.06670	0.5
225.05539	0.8
229.01427	2.3
232.05373	0.9
234.69720	0.6
235.03975	4.3
236.04767	2.6
237.05582	10.8
238.06148	1.8
239.07120	1.9
241.05304	0.6
243.06610	0.8
247.04015	10.2
248.04765	10.7
249.05553	13.6
250.02567	0.7
250.06252	4.6
251.03546	3.4
252.03693	0.8
253.04965	1.0
255.06653	3.4
257.15698	0.5
263.03482	2.2
264.04294	13.1
265.05054	32.3
266.05624	5.2
267.06622	30.6
268.07108	2.3
269.08228	2.9
275.03510	18.8
276.04071	2.7
277.05185	0.7
281.07971	1.0
285.07681	1.5
291.03018	7.2
292.03738	2.0
293.04578	100.0
294.04977	9.8
294.08130	0.5
294.19412	1.5
295.06189	4.7
296.06427	0.5
311.05618	17.0
312.05869	1.6
328.21979	0.7
329.06540	3.4
339.05133	4.5
362.78842	0.6
375.25247	0.7
376.25543	3.7
377.26187	0.8
399.73959	0.6
449.26837	0.8
455.13535	0.8
490.33102	2.6
491.09677	2.7
491.28003	1.9
491.33496	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	490.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
59.01378	72.5
60.01708	1.2
61.98830	58.1
68.99834	1.9
69.66900	6.8
71.01387	13.1
72.99305	9.7
73.02938	4.5
75.00861	1.8
79.53590	1.0
83.01386	5.1
85.02953	7.9
86.00091	1.5
87.00910	1.0
89.02450	3.6
93.02916	1.9
93.03458	23.3
94.34216	1.0
95.01373	3.7
97.02924	1.1
98.52853	1.3
99.00852	3.2
101.02446	11.0
108.02161	1.4
108.90981	1.1
109.02960	13.6
111.00869	1.7
113.02464	6.0
117.03450	3.2
119.05011	1.9
121.02949	4.4
123.04495	5.6
125.02450	1.2
133.02953	6.5
134.03653	1.3
135.04523	32.6
136.01672	3.2
136.04832	2.7
137.02446	60.4
141.01909	4.2
145.02930	11.4
146.03339	1.5
147.04501	1.7
148.05304	28.7
149.02432	1.5
149.05632	1.6
151.04013	1.3
152.01117	1.2
153.01926	4.4
157.02917	3.1
159.03168	1.2
159.04512	4.5
161.02429	19.4
163.04021	3.2
163.07649	44.5
164.07922	3.2
175.03983	3.1
179.03496	31.2
180.03821	2.0
185.02373	1.8
193.06712	1.4
197.04546	8.0
197.06052	1.8
198.04840	3.6
200.46901	1.2
201.01993	1.3
211.07617	3.2
221.06070	3.0
224.04671	2.0
225.05508	1.7
226.15259	1.3
228.99385	1.5
229.01414	14.3
231.05113	1.1
237.05444	3.1
238.06490	1.6
239.07170	3.3
248.04662	1.5
249.05563	4.6
250.06296	2.8
253.04828	1.4
265.05075	2.8
266.05762	3.7
267.06610	48.8
269.08292	1.7
277.05020	6.4
278.05832	1.8
281.06686	1.6
285.07675	2.0
287.22726	1.2
293.04568	4.2
294.05197	2.2
295.06125	11.8
310.16849	1.3
311.05548	9.2
329.06607	2.4
339.00958	1.9
339.05045	34.6
392.37073	1.4
405.21835	1.2
431.26340	3.5
447.22400	2.2
449.27271	3.0
489.26746	1.9
490.14380	3.2
490.20956	1.6
490.27036	5.4
491.22833	100.0
491.28516	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	490.1719
Annotation	Demethylisoalangiside
Peak:m/z	Relative Intensity
51.74308	0.7
52.93019	0.7
58.30538	0.8
59.01377	13.9
59.77828	0.7
61.98829	3.1
65.13803	0.9
71.01388	6.5
71.62346	1.0
72.99280	1.9
73.02939	1.3
75.00844	0.8
84.00945	0.8
85.02952	2.6
85.06558	1.0
88.98811	1.3
89.02435	1.7
93.03465	2.6
95.01396	0.8
99.00892	1.7
101.02431	4.0
109.02964	1.6
111.04522	1.3
113.02435	3.0
122.00801	1.0
130.08832	0.7
131.07118	2.0
132.02171	1.8
133.02985	6.0
133.05334	48.2
134.03746	13.2
134.05635	1.3
135.04546	9.4
136.04866	0.9
137.02402	1.0
142.39604	0.8
148.05347	1.8
149.06085	10.1
154.24696	0.8
155.56886	0.8
160.01648	8.8
160.04054	2.0
161.02440	86.2
162.02776	6.1
174.11327	1.1
175.04008	9.8
179.03499	1.0
179.07144	0.8
196.09818	0.8
197.04506	1.0
234.07718	1.9
239.09314	1.0
252.07881	6.3
267.06879	1.4
295.08475	14.8
296.08588	1.0
310.10831	100.0
311.11157	11.0
312.06088	0.7
313.07187	1.1
315.56100	0.8
328.11874	70.4
329.12213	8.0
334.77060	1.0
347.13522	1.5
351.05798	1.5
376.16089	1.4
431.22525	1.8
447.56857	0.9
490.16275	3.2
490.22943	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	489.359
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
57.03442	1.2
59.01392	1.7
59.50867	0.3
59.53064	0.3
59.79955	0.4
60.69501	0.3
61.98824	1.0
66.90107	0.3
70.30803	0.3
70.31140	1.2
71.01376	0.7
73.15490	0.3
83.05035	0.4
98.20549	0.5
122.69254	0.3
133.02939	1.4
135.04530	0.4
135.28185	0.3
149.02306	0.4
150.06827	0.3
161.02458	4.0
229.11119	0.3
249.73511	0.3
302.63599	0.3
427.32458	0.3
429.33777	1.1
459.34186	1.4
471.32870	1.1
489.35757	100.0
490.36157	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	489.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03449	22.9
58.00586	0.8
58.03781	0.5
59.01384	20.9
60.01704	0.6
61.98828	0.8
67.01891	1.3
68.99809	1.1
69.03453	6.5
69.27608	2.9
69.28001	0.7
71.01384	49.4
71.05017	1.1
72.01738	1.0
72.99314	3.2
73.02944	4.4
75.00867	0.5
78.35402	0.3
81.03461	1.0
83.01389	27.3
83.05019	0.7
84.01723	0.5
84.02173	1.2
85.02953	62.5
85.06573	0.3
86.00098	2.2
86.03288	1.8
87.00880	3.2
89.02453	2.2
93.03447	2.3
95.01389	15.3
96.01751	0.4
97.02955	6.5
97.06679	0.4
99.00882	9.5
99.04531	0.4
101.02450	7.0
108.02165	0.4
109.02964	1.5
109.06570	0.3
111.00887	1.4
111.08169	3.0
112.01673	6.2
113.02454	55.8
113.09747	1.4
114.02771	1.6
115.04002	2.1
117.03457	1.3
119.05021	1.0
121.02953	0.7
123.00879	0.4
123.04486	0.5
124.01673	3.3
125.02448	6.9
125.50255	0.3
126.02738	0.4
127.11295	9.7
131.03561	0.4
133.03000	2.1
135.04535	4.5
137.02464	4.4
137.09734	3.0
139.00389	0.4
139.04019	0.5
141.01973	0.4
142.02715	0.8
143.03505	11.8
145.02960	4.3
147.04625	0.5
149.02415	0.9
153.01959	0.5
153.09224	0.7
153.12843	1.3
155.10794	3.5
158.45665	0.3
159.02982	0.5
159.04472	0.5
161.02480	6.0
161.04536	2.9
162.02802	1.4
163.04056	1.1
169.12303	1.3
171.13914	14.4
172.14188	0.6
179.03526	2.6
185.15480	0.9
187.03995	0.5
197.04549	0.8
197.15439	0.6
211.16855	0.3
223.20702	2.0
229.01129	0.3
239.05602	1.1
239.20169	1.1
241.21748	0.9
251.48633	0.4
255.23315	0.8
257.24924	0.5
263.20087	0.6
265.04984	0.5
265.21729	3.0
267.06641	0.6
267.19739	0.3
267.23276	0.7
279.23294	4.0
280.23694	0.5
281.21207	1.0
281.24899	2.5
283.22800	1.4
293.24933	1.2
295.26437	1.3
297.24341	2.9
297.27631	0.5
298.24753	0.4
299.25897	29.1
300.26172	3.0
309.04068	0.5
309.28030	0.4
311.05536	1.0
311.25885	1.1
312.06079	0.3
321.00500	0.3
325.27325	0.8
327.21799	0.3
327.28970	3.1
343.28568	1.8
344.28687	0.3
345.30081	100.0
346.30411	10.6
357.30042	1.3
387.31070	2.2
388.31686	0.3
401.10294	0.6
401.32547	0.7
403.26785	0.4
415.30637	0.9
423.31259	0.3
425.32681	0.6
429.24762	0.6
441.32239	3.0
443.29968	0.5
445.09265	0.9
447.25784	0.8
453.32224	0.6
459.33221	2.8
460.33694	0.6
471.25464	0.4
484.72867	0.4
489.27200	7.4
489.34256	88.5
490.16989	0.6
490.27710	0.9
490.34610	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	489.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
57.03450	19.8
58.00602	0.8
58.03809	0.3
59.01383	25.4
60.01713	0.9
61.01803	0.4
61.98838	0.9
64.47909	0.2
65.00317	0.3
67.01886	1.1
68.28859	0.3
68.99816	1.0
69.03091	0.5
69.03457	6.4
71.01383	52.1
71.05017	0.8
72.01720	1.2
72.99306	3.5
73.02950	4.0
75.00877	1.0
81.03456	0.9
83.01389	27.0
83.05053	0.6
84.01743	0.5
84.02184	1.0
85.02953	63.1
86.00110	1.9
86.03310	1.3
87.00876	3.7
89.02438	2.2
93.03467	3.9
95.01389	16.6
95.05039	0.5
96.01715	0.4
96.46256	0.3
97.02955	5.1
97.06574	0.5
99.00231	0.5
99.00880	10.5
99.04543	0.3
101.02447	7.3
108.02200	0.3
108.06939	0.3
109.02956	1.6
111.00874	0.7
111.08162	2.1
112.01665	6.8
113.02453	54.7
113.09711	1.8
114.02744	1.3
114.34039	0.3
115.04021	2.1
117.03452	1.6
118.98109	0.6
119.05036	1.5
121.02972	0.3
123.04540	0.7
124.01671	3.3
125.02446	7.5
125.09703	0.4
127.11292	9.7
129.01942	0.4
131.13989	0.3
133.02959	2.5
134.03673	0.5
135.03581	0.4
135.04526	5.0
137.02441	8.0
137.09721	3.2
138.01895	0.3
138.02888	0.5
139.00371	0.5
139.02330	0.3
139.04013	0.5
142.02707	0.6
143.03496	13.4
144.03818	0.6
145.02937	5.0
147.04527	0.6
149.02449	1.2
149.06058	0.4
150.03305	0.3
151.03949	0.4
153.01993	0.3
153.09248	0.6
153.12871	1.2
155.10770	3.4
159.03000	0.3
160.01616	0.3
161.02455	7.4
161.04504	2.9
162.02803	1.3
163.03999	1.0
165.05559	0.8
169.12285	1.6
171.13908	14.5
172.14252	0.6
175.03960	0.5
179.03491	3.6
180.03807	0.3
183.13962	0.3
185.15492	0.5
187.04007	0.4
190.58858	0.2
195.17415	0.6
197.04518	1.1
197.06145	0.3
197.15347	0.3
205.05084	0.4
206.05341	0.4
209.04530	0.4
211.16913	0.6
223.20645	2.5
224.21022	0.3
227.03650	0.3
229.01425	0.3
239.05658	1.0
239.20149	1.0
241.21704	0.9
253.04958	0.4
255.23216	0.5
257.25092	0.4
263.20047	0.7
265.05087	0.7
265.21716	3.1
266.05405	0.3
266.21951	0.6
267.06555	0.9
267.19354	0.3
267.23294	0.4
279.23273	4.0
280.23441	0.3
281.21249	1.1
281.24854	2.2
282.07697	0.3
283.22784	2.0
291.19858	0.3
293.04510	0.3
293.24780	0.6
295.26422	0.8
297.24390	3.3
297.27591	0.4
299.25906	27.3
300.26273	2.7
309.04010	1.0
309.28082	0.5
310.04660	0.3
311.05640	1.3
311.25940	0.8
325.27432	1.0
327.21991	0.3
327.28961	2.7
328.29630	0.3
329.23013	0.5
332.15714	0.3
343.28409	2.0
345.30075	100.0
346.30405	11.7
357.30164	1.8
373.10834	0.3
385.23865	0.4
387.31061	2.4
388.31351	0.3
397.33224	0.4
401.10239	1.0
401.32837	0.5
403.26721	0.4
413.32880	0.4
415.30591	0.5
423.31342	0.3
425.32520	0.5
429.11652	0.5
429.24844	0.8
441.32150	3.5
442.32446	0.6
443.29544	0.3
445.08917	0.6
447.25671	1.4
453.32465	0.4
459.33368	2.4
471.31372	0.5
489.26978	10.0
489.34229	80.3
490.16690	0.6
490.27191	1.1
490.34567	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	489.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13142	0.7
55.01913	2.4
57.03452	12.2
59.01379	32.3
66.81748	0.6
69.03466	3.5
71.01385	39.8
71.05042	1.2
71.62972	0.9
72.01781	0.7
72.99348	2.8
73.02951	7.5
75.00916	1.3
81.03499	0.7
83.01387	8.9
84.02200	0.9
85.02954	37.5
85.06599	1.4
86.00146	1.3
86.03349	1.2
87.00876	3.7
89.02453	4.8
93.03509	0.6
94.05797	0.8
95.01394	11.8
95.05023	6.1
97.03010	2.1
97.06675	1.0
99.00898	5.1
99.08207	2.5
99.92567	0.7
101.02445	11.6
105.85416	0.6
109.02977	1.3
109.06656	0.9
111.00953	0.9
111.08217	0.9
112.01703	1.9
113.02453	49.1
113.06078	9.0
113.06747	0.6
114.02846	1.2
115.04044	1.0
117.03454	0.9
119.03526	1.4
119.05079	2.3
119.08720	1.1
124.01688	1.0
125.02413	3.6
133.02977	3.5
135.04536	5.3
135.08226	0.9
137.09787	1.4
141.12929	1.2
143.03522	6.0
145.03015	2.6
149.02545	1.1
150.03302	0.7
155.10828	2.1
155.48367	0.6
159.08199	1.1
161.02473	9.3
161.04549	4.7
161.09831	1.0
162.02888	1.1
163.04031	1.1
171.09346	1.8
171.13945	3.8
175.03970	0.7
179.03586	2.8
195.17490	5.1
197.04692	1.2
226.26706	0.7
267.06494	1.1
279.23267	1.4
281.24872	1.0
285.12375	1.0
293.19168	8.8
294.19357	0.8
297.18579	1.2
297.24554	1.0
299.20352	1.0
299.25989	5.0
309.04163	1.0
309.18866	0.9
309.22208	3.0
310.22592	0.8
311.05670	2.7
311.20190	6.9
321.18616	2.6
325.21768	0.9
327.19641	3.9
327.23199	2.3
327.29138	2.1
337.22083	1.0
339.19608	8.4
340.19846	1.4
341.21442	0.7
343.22995	3.6
343.28571	2.5
345.30087	39.1
346.30423	3.1
353.21292	0.9
355.22705	5.6
356.23523	0.8
359.07690	0.9
359.22238	13.3
360.22729	1.7
373.23819	14.9
374.24194	2.3
375.25385	100.0
376.25754	11.2
399.25034	0.8
403.26590	1.7
417.26666	0.7
419.24252	3.0
423.28989	0.7
435.92746	0.8
459.32388	1.3
471.25208	1.2
471.31070	3.2
489.26846	2.7
489.33121	78.7
490.33405	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	489.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03447	1.0
58.00586	1.4
59.01382	44.1
61.98819	1.4
62.25730	0.4
70.05368	0.7
70.05784	1.7
71.01382	18.6
72.99306	3.3
73.02952	1.9
75.00842	0.5
83.01393	1.4
85.02956	4.9
87.00872	0.9
87.41901	0.4
89.02443	15.2
93.03457	2.8
95.01406	2.1
95.30805	0.4
97.02921	0.8
99.93552	0.5
101.02446	11.2
101.10884	0.4
107.04996	0.4
109.02927	1.1
113.02444	6.4
117.03459	1.2
119.02840	0.5
119.03522	4.6
119.05012	1.4
123.04552	0.7
125.02386	0.4
133.02916	1.3
135.04512	5.7
136.01604	0.8
136.04723	0.7
137.02463	6.1
137.09717	0.8
143.05022	0.8
145.02960	4.6
148.05251	0.5
149.02383	0.7
151.03996	0.4
160.01704	0.5
161.02431	3.7
161.04539	0.5
163.03976	1.3
163.11304	0.8
165.12822	1.7
171.10217	0.9
179.03490	7.1
179.14339	0.5
181.05077	0.8
181.12399	0.7
197.04533	1.1
209.04552	1.6
209.11861	0.9
211.13358	1.2
213.05421	0.5
221.11766	0.5
223.13332	0.9
227.13016	0.8
229.14445	1.1
234.82146	0.5
239.05565	5.3
247.20743	1.8
253.05257	0.6
265.04965	1.9
267.06577	0.9
267.19458	0.6
273.18591	0.8
281.04556	0.5
285.20673	0.6
291.19702	10.6
292.20078	0.7
299.07718	1.0
309.04016	3.8
309.20721	8.1
310.04016	0.5
327.21591	2.6
327.48871	0.4
343.10541	0.8
385.23862	1.1
401.10336	0.5
419.24670	2.4
429.24988	0.9
445.09357	0.6
447.25800	1.2
471.16513	1.0
471.25989	0.6
489.27063	100.0
490.16556	0.5
490.27365	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
59.01382	100.0
60.01718	1.1
60.97529	0.5
61.98835	1.9
63.53742	0.5
65.76679	0.5
69.44723	4.6
71.01382	4.9
72.97548	2.4
72.99305	5.5
73.02953	1.8
75.00881	1.1
78.13640	0.5
83.01404	0.8
85.02956	2.4
87.00867	1.0
89.02449	2.7
93.03479	0.6
95.01419	0.7
100.88077	0.5
101.02438	3.9
109.02958	3.2
113.02492	2.2
117.03497	0.9
119.03522	0.8
119.05017	1.3
121.02979	0.9
123.04524	1.3
133.02977	3.7
133.96805	0.7
134.03732	0.7
134.06142	1.1
135.04520	12.3
135.06586	0.5
136.04933	0.9
137.02440	0.8
143.07193	0.9
144.04608	0.5
145.02940	2.7
149.02484	0.8
151.03992	0.9
152.92532	0.5
153.01976	2.3
160.01616	0.6
161.02443	9.9
161.04584	1.0
162.02832	1.7
163.02893	0.7
175.04062	1.3
177.01938	0.6
179.03522	7.1
193.05063	0.5
195.08636	0.5
197.04539	1.1
207.13864	1.0
209.06111	0.6
225.05693	0.7
225.15067	1.4
227.03502	0.6
237.05605	1.1
242.43512	0.5
252.08720	0.8
253.05191	1.5
254.05598	0.6
254.08168	0.9
263.03549	1.0
264.04126	0.8
265.05008	2.7
265.09525	0.6
267.06827	1.0
267.15967	0.6
269.04584	0.6
281.04504	1.3
281.09305	4.5
282.09686	6.0
290.10739	0.6
293.04407	0.9
293.09592	1.9
294.09833	3.1
295.10709	1.2
308.11392	0.9
309.04044	8.5
309.07816	0.7
309.09067	0.5
310.04391	0.7
325.69861	0.6
327.13336	1.2
327.21747	1.2
328.08316	4.6
369.19406	1.2
429.16391	2.3
429.21378	2.0
441.60818	0.6
445.09650	0.7
489.18668	8.6
489.27139	10.9
490.28244	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06949	0.4
59.01381	100.0
59.08323	0.4
60.01731	1.0
69.82924	2.6
71.01387	1.7
73.02953	1.0
85.02979	0.5
89.02464	0.7
96.96033	2.0
96.97041	0.4
98.77293	0.4
100.03771	0.4
101.02467	1.3
109.02950	0.8
114.93431	0.7
119.03466	0.6
147.04437	0.5
161.04573	0.6
177.09151	1.1
180.52437	0.5
185.19363	0.5
193.19540	0.4
207.46126	0.4
293.75888	0.4
352.70667	0.5
429.20917	0.9
489.20065	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
59.01381	100.0
59.20134	0.3
60.01730	1.1
61.98836	1.2
69.03458	1.0
71.01385	4.7
71.62471	0.5
72.99330	0.6
73.02946	4.3
75.00843	0.5
81.03467	2.5
83.01405	1.6
83.05038	2.6
85.02960	1.7
87.00869	0.6
89.02450	2.5
93.03463	0.7
95.01418	0.6
95.05037	5.1
97.02916	0.4
101.02439	7.5
102.02809	0.4
102.70592	0.3
109.02925	0.6
109.06601	2.2
113.02457	3.7
115.92076	0.4
116.92877	0.7
119.03515	1.1
123.04560	1.5
131.03508	0.6
133.06700	0.5
135.04536	0.9
135.08160	1.4
141.05568	0.4
142.12241	0.3
143.03461	0.6
144.06075	0.4
145.03021	0.8
149.04564	1.5
149.05855	0.3
159.08141	0.9
161.02431	1.0
161.04587	3.1
161.05948	0.6
170.88641	0.4
175.07658	1.0
177.09212	11.8
179.07182	0.8
195.10277	0.5
198.91342	0.3
203.05542	0.6
221.06380	0.7
221.08353	3.0
263.34402	0.3
267.11005	0.6
271.97626	0.3
275.67407	0.3
311.05658	0.7
352.72156	0.5
429.21494	0.5
471.17133	0.4
489.19873	15.7
490.20145	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	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26728	1.0
51.50219	0.9
57.03456	1.3
59.01382	82.5
60.01710	1.3
61.98833	15.6
69.03463	3.5
69.87624	4.3
71.01383	13.6
72.99319	0.8
73.02943	5.1
75.00857	1.0
81.03461	12.0
83.01403	1.6
83.05038	15.7
85.02959	7.2
89.02459	4.7
93.03468	3.6
95.01387	1.4
95.05030	29.7
98.19948	1.6
99.00890	1.1
99.69414	0.9
101.02454	11.6
105.05605	1.8
107.05090	1.6
107.61461	0.8
109.02963	2.0
109.06599	15.3
113.02462	6.6
116.92867	0.9
119.03543	1.5
119.05032	3.3
121.06591	1.7
123.04529	6.3
126.15262	1.0
127.03943	1.3
131.05101	1.7
133.03030	0.9
133.06622	1.4
135.04558	3.0
135.08142	9.1
141.05588	3.4
145.02989	3.5
146.03333	1.9
149.48761	0.9
157.06555	1.1
157.43799	1.0
157.52109	1.0
159.08167	5.1
161.02498	2.0
161.04585	4.3
161.05963	1.8
163.04028	1.6
175.07645	6.5
177.09207	77.8
178.09529	4.8
179.05707	1.2
179.07153	3.2
180.06674	1.2
191.42238	1.0
195.10306	3.7
221.08191	18.3
239.09372	2.8
267.10867	4.2
310.82092	0.9
327.12329	2.8
388.67578	1.0
429.21548	1.0
446.41138	1.0
479.22491	1.1
489.19907	100.0
490.20123	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	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13282	0.5
53.91022	0.6
59.01381	100.0
60.01711	1.2
61.98837	1.6
62.99789	0.4
69.65844	2.2
71.01385	4.5
72.99339	0.6
73.02950	2.8
77.98708	0.5
80.21141	0.5
80.96529	0.9
83.01389	1.2
85.03001	1.2
85.34267	0.5
89.02455	1.1
99.00899	0.6
101.02443	3.6
109.02966	0.8
113.02438	2.6
114.08034	0.6
116.92834	0.9
119.03535	0.9
133.02982	0.6
135.04524	1.1
147.04549	1.9
161.02515	1.3
161.04626	1.8
177.09270	1.6
179.03462	0.6
203.05597	0.6
207.14040	0.7
221.08279	0.6
225.15094	1.0
232.45880	0.5
233.03314	0.6
263.04376	2.2
269.08258	0.8
291.17474	0.6
313.07190	0.8
339.05154	0.6
369.19205	2.2
387.20352	1.0
429.21634	2.0
489.19531	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	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26728	1.0
51.50219	0.9
57.03456	1.3
59.01382	82.5
60.01710	1.3
61.98833	15.6
69.03463	3.5
69.87624	4.3
71.01383	13.6
72.99319	0.8
73.02943	5.1
75.00857	1.0
81.03461	12.0
83.01403	1.6
83.05038	15.7
85.02959	7.2
89.02459	4.7
93.03468	3.6
95.01387	1.4
95.05030	29.7
98.19948	1.6
99.00890	1.1
99.69414	0.9
101.02454	11.6
105.05605	1.8
107.05090	1.6
107.61461	0.8
109.02963	2.0
109.06599	15.3
113.02462	6.6
116.92867	0.9
119.03543	1.5
119.05032	3.3
121.06591	1.7
123.04529	6.3
126.15262	1.0
127.03943	1.3
131.05101	1.7
133.03030	0.9
133.06622	1.4
135.04558	3.0
135.08142	9.1
141.05588	3.4
145.02989	3.5
146.03333	1.9
149.48761	0.9
157.06555	1.1
157.43799	1.0
157.52109	1.0
159.08167	5.1
161.02498	2.0
161.04585	4.3
161.05963	1.8
163.04028	1.6
175.07645	6.5
177.09207	77.8
178.09529	4.8
179.05707	1.2
179.07153	3.2
180.06674	1.2
191.42238	1.0
195.10306	3.7
221.08191	18.3
239.09372	2.8
267.10867	4.2
310.82092	0.9
327.12329	2.8
388.67578	1.0
429.21548	1.0
446.41138	1.0
479.22491	1.1
489.19907	100.0
490.20123	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	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57907	0.5
55.01891	0.9
57.03448	1.0
59.01380	58.9
59.11158	0.6
61.98813	0.9
70.62851	0.7
71.00991	1.0
71.01384	18.7
72.99316	5.6
73.02956	6.2
75.00861	1.2
83.01383	2.2
85.02962	3.8
87.00895	0.6
87.04500	1.0
89.02439	3.8
93.03458	4.1
96.95978	0.7
99.00882	1.2
99.04433	0.5
101.02441	9.3
107.05048	0.9
109.02969	3.9
110.10139	0.6
111.72441	0.6
113.02441	6.3
115.00390	1.3
117.03477	6.3
119.05026	100.0
120.05388	5.0
121.03031	0.8
123.30235	0.6
125.02427	0.6
133.02928	1.0
135.04523	6.9
145.02954	38.2
146.03320	1.9
147.04558	0.8
149.02432	2.2
153.01695	0.6
159.04518	1.1
161.02461	1.2
161.04532	3.4
161.05724	0.6
163.04008	60.4
164.04341	3.5
167.57820	0.5
173.02412	0.8
179.03519	0.8
181.05061	20.0
181.61232	0.6
182.05275	0.8
188.79730	0.7
209.05986	0.9
229.01457	1.2
237.05649	1.4
265.05103	1.7
267.06543	3.5
277.05014	1.1
279.06644	0.9
281.04355	0.8
293.04541	1.2
295.06165	3.2
307.08282	2.1
309.04123	0.9
325.09244	1.0
327.08734	10.1
328.08844	0.8
337.03558	2.9
338.03867	0.7
339.05099	1.0
343.10342	6.2
359.07724	0.7
373.22195	2.8
385.22327	0.7
403.23306	3.2
429.21170	1.8
471.22614	1.7
489.08429	0.8
489.14063	22.0
489.23422	29.8
490.14307	2.6
490.24719	3.0
490.30386	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	489.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66919	0.3
59.01086	0.8
59.01383	16.3
61.64072	0.4
61.98830	1.4
71.01392	3.2
71.01736	0.5
72.66568	0.4
72.99309	88.0
73.02933	1.0
73.99646	1.0
75.00864	0.6
81.03465	0.4
83.01379	0.6
85.02961	1.5
87.00864	0.8
89.02458	1.7
91.05515	0.5
93.03464	1.1
95.05078	0.5
98.19810	0.6
99.00845	0.5
101.02451	2.0
107.05033	2.1
108.02164	0.5
109.02940	3.4
111.00898	0.4
113.02449	1.2
117.01972	0.4
117.03464	0.8
119.05016	0.8
121.02969	1.5
122.03757	1.0
123.04526	32.2
124.04823	0.9
133.02934	2.1
134.03740	3.0
134.06133	0.6
135.04527	63.7
136.01649	0.8
136.04854	2.6
137.02438	1.2
145.02936	1.7
147.04536	2.1
149.02426	0.9
149.06053	1.2
150.03238	0.8
151.04007	3.9
159.04576	0.5
161.02461	4.3
163.03954	0.4
163.07599	0.4
175.42693	0.3
178.02673	0.6
179.03497	54.6
180.03795	2.7
187.04108	0.5
197.04547	100.0
198.04860	4.3
210.22629	0.3
211.13338	0.4
215.05586	0.7
239.05620	3.6
265.04886	0.9
267.02756	0.5
267.06540	0.5
267.19626	0.6
281.06763	0.9
283.10883	0.5
284.03174	0.8
299.05692	0.7
309.03952	1.9
309.20715	0.7
310.04196	0.8
311.05670	0.4
327.21759	2.5
341.08752	3.6
357.24380	0.9
401.10095	0.5
429.24957	1.2
430.17612	0.9
447.25806	1.2
488.34607	3.2
489.14020	75.2
489.25974	7.9
489.33817	1.5
490.14343	12.1
490.21234	0.6
490.27234	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	489.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01381	98.3
59.82637	0.5
60.01720	1.1
61.98838	3.9
69.54777	4.6
71.01384	6.3
72.01744	0.6
72.99315	1.3
73.02930	3.0
83.01385	0.5
84.73479	0.6
85.02966	2.3
85.80594	0.6
87.00862	0.7
89.01939	1.0
89.02433	5.9
93.03431	0.8
95.01355	0.9
96.96010	0.9
98.20601	1.2
99.00862	0.7
99.04535	1.3
101.02457	3.4
101.03930	0.8
101.84466	0.6
108.02187	1.9
109.02962	28.0
109.06555	0.7
110.03300	0.7
111.02014	1.3
113.02445	3.7
117.03508	0.8
119.03498	0.8
119.05018	5.1
121.02956	4.6
123.04533	2.7
125.02412	0.7
129.03474	9.3
130.04274	0.9
131.03529	1.2
133.02956	1.6
135.04529	4.3
137.02422	1.0
145.02959	9.0
146.03735	6.9
147.04521	100.0
148.04866	3.7
149.04558	9.8
150.72758	0.6
152.00970	0.6
153.01883	0.8
153.09132	0.7
157.02942	1.1
158.03741	1.4
159.03198	1.2
159.04520	23.9
160.04883	1.0
161.02499	3.2
161.04576	1.0
163.04050	1.4
173.02431	1.7
175.04005	1.6
179.03496	0.9
183.06558	1.0
185.02493	0.8
198.03252	0.8
201.01985	1.0
203.03497	3.5
221.05980	1.0
225.05518	1.2
226.02827	1.3
227.03540	0.8
229.01434	9.8
230.01866	0.8
237.05583	1.7
239.07037	1.2
241.05115	0.9
249.05525	2.8
250.06389	0.9
254.05832	1.0
265.05008	1.1
266.05737	1.1
267.06598	6.9
267.16263	0.7
268.07269	1.4
269.08182	44.1
270.08490	3.1
273.20795	1.6
277.05002	3.9
285.17001	0.9
293.04526	1.8
294.05161	1.4
295.06067	7.7
296.06540	0.8
309.04044	2.3
310.04700	0.9
311.05563	1.5
311.09024	0.7
312.10110	1.4
313.07175	19.9
313.10773	1.1
314.07550	1.8
327.12564	3.7
339.05072	33.8
340.05365	3.5
357.06107	1.4
369.19168	1.9
387.20325	2.0
429.21509	2.0
445.11124	2.0
446.31348	1.7
447.22275	0.8
489.10208	14.5
489.17236	0.8
489.23355	2.2
490.10709	1.9
490.30136	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	488.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98024	2.2
59.01384	10.1
61.98818	2.5
63.78384	0.4
70.36672	0.3
71.01382	7.1
72.99327	0.7
73.02959	0.5
85.02956	1.6
87.00879	2.0
89.02452	5.3
96.96010	1.8
99.00904	0.5
99.92616	0.5
101.02430	2.9
113.02467	2.2
116.92833	0.5
117.03449	2.2
118.03835	0.8
119.03512	1.1
119.05051	3.2
120.01257	100.0
120.05363	1.3
121.01571	1.1
127.21448	0.4
133.03040	0.4
135.04527	1.0
143.03532	0.4
145.02953	6.4
146.03293	4.9
150.30336	0.4
161.02473	0.5
161.04602	0.7
161.09720	9.8
162.03220	0.7
162.10083	0.7
162.83939	1.8
163.04016	4.2
164.04332	2.8
177.05623	0.4
179.05588	1.2
180.04301	2.3
187.11340	1.5
195.06648	4.0
206.05377	0.4
221.10054	15.4
222.10397	1.1
223.09682	0.5
452.99258	0.6
488.14713	2.4
488.20813	2.6
489.15390	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	488.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07094	1.0
54.71978	1.1
57.69677	1.1
59.01376	7.2
62.56903	1.1
64.31329	1.1
71.01388	5.2
71.05008	1.0
73.02950	3.3
83.05032	1.2
85.02930	2.1
87.04494	1.3
95.05034	5.5
97.02966	1.8
99.04513	3.7
101.06068	2.8
105.27322	1.1
109.06571	6.8
112.17750	1.2
113.06085	1.1
115.04013	1.8
118.22042	1.0
119.96559	1.2
125.06101	1.8
145.05035	4.8
157.05040	1.8
171.06700	1.4
206.10127	1.8
251.23749	1.4
253.25331	21.8
254.25682	1.8
281.24741	2.8
298.27524	4.0
299.25967	11.1
340.28564	2.2
354.30142	1.7
373.23206	1.1
378.33835	1.7
426.36035	2.1
470.34860	12.2
488.35867	100.0
489.36218	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	489.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34928	0.4
52.23002	0.4
54.41955	0.4
59.01381	13.7
61.98852	1.4
69.41994	4.0
71.01373	2.2
71.05033	0.6
72.99309	5.9
73.02957	1.0
85.02955	0.6
87.00880	0.5
89.02463	1.0
93.03477	1.0
95.05079	0.5
98.19870	0.7
99.00859	0.4
101.02457	1.4
106.17178	0.4
107.05047	0.6
108.02251	0.4
109.02981	1.7
113.02486	0.8
115.73203	0.4
117.03474	1.1
119.05068	0.5
121.02991	1.2
123.04562	2.2
133.03018	1.3
133.05359	2.1
134.03758	2.4
134.05688	0.9
135.04523	30.9
136.04874	1.3
137.02473	1.0
145.02983	2.8
149.02481	0.8
151.03975	0.6
161.02463	2.9
162.02846	0.7
163.04042	0.5
163.07735	0.6
167.04951	0.5
179.03506	7.3
180.03835	0.5
191.05075	1.2
193.06549	2.2
195.04518	0.8
197.04550	6.5
209.06107	1.2
219.04515	7.4
220.04901	0.6
221.05989	0.6
225.05531	0.5
235.04066	1.2
236.04813	2.3
237.05508	1.7
247.03981	4.0
248.04758	10.3
249.05228	0.8
251.06816	1.1
252.07445	0.8
263.03571	1.1
264.04276	6.5
265.05054	85.8
266.02585	0.5
266.05362	7.5
278.05414	0.7
279.06479	1.1
280.06793	0.5
291.03082	0.9
291.06314	0.8
292.06812	0.5
309.04037	100.0
310.04404	9.4
311.05658	0.8
321.07401	0.6
321.22141	0.7
322.08334	0.7
327.21860	0.5
333.22363	0.6
350.81369	0.5
385.23752	2.6
389.23233	0.9
398.10995	0.7
401.10364	0.5
407.30338	0.5
413.12250	1.0
419.24323	6.5
420.24911	0.8
423.29065	0.5
429.25040	0.7
440.11411	0.7
441.11438	3.8
441.30313	0.5
445.09467	0.7
447.26129	0.6
455.13641	0.5
455.31580	1.8
456.14117	4.1
463.23438	0.6
470.16013	0.5
471.16428	12.4
471.30862	2.5
472.16479	1.2
488.34961	0.5
489.08188	12.7
489.14224	2.4
489.26077	3.6
489.32809	4.3
490.08398	1.9
490.32599	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	488.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25652	0.3
57.03462	0.6
57.97117	0.3
59.01382	27.1
61.98833	100.0
69.03458	0.4
69.36985	2.4
71.01383	3.8
72.99317	2.2
73.02959	1.7
74.99094	0.3
75.00875	0.4
83.01401	0.5
85.02952	1.0
89.02460	0.8
99.00903	0.5
101.02430	1.9
107.22744	0.4
109.02956	0.8
113.02480	1.3
119.03651	0.5
119.05029	10.8
121.02954	0.5
123.04549	0.5
126.10956	0.3
133.02989	0.5
135.04514	2.2
137.02411	0.4
138.98154	0.3
143.03517	0.3
145.02965	2.4
147.04535	0.7
149.02486	0.4
151.04059	0.3
152.99675	0.4
159.04518	0.3
161.02475	1.2
161.04579	0.8
163.04021	5.8
163.11346	0.6
164.11644	0.4
179.03532	0.4
181.05115	1.4
187.11218	0.4
190.05214	0.6
205.12328	1.8
206.12753	1.4
209.06142	0.3
209.11887	0.4
210.12192	0.8
234.14021	0.3
235.97169	0.3
258.49426	0.3
267.06683	0.8
278.08151	0.3
283.10239	0.3
285.17123	0.4
326.10397	0.6
327.08926	0.6
337.03586	0.4
343.10468	1.2
373.22192	0.4
403.23703	0.4
429.21274	0.8
447.22379	0.7
470.27850	1.0
488.21423	0.7
488.28891	2.3
489.14670	1.5
489.23157	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99349	1.1
68.11446	0.4
71.05095	1.0
95.93307	0.4
97.06601	3.9
101.13385	0.5
157.65721	0.5
191.14499	0.9
217.16246	0.6
223.62790	0.5
237.15047	0.7
242.47240	0.5
260.13116	0.5
387.14175	0.5
389.28589	1.6
391.30225	4.0
392.30600	0.5
393.27966	1.0
403.29980	0.7
405.31592	5.4
406.31866	0.8
407.33243	12.9
408.33322	2.3
409.31226	1.5
423.32889	2.0
424.32651	0.6
425.34161	0.7
433.83899	0.5
439.32111	0.9
441.33734	14.0
442.34067	2.6
449.30707	2.7
451.32169	18.6
452.32495	2.9
453.33728	100.0
454.34042	17.0
459.34567	0.9
467.31622	3.5
468.31958	0.7
469.33362	3.2
471.34943	1.4
485.32516	1.5
487.34259	25.0
488.34802	3.4
489.90665	0.6
497.32709	2.5
513.31995	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	487.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
60.99305	0.9
63.45936	0.7
71.13926	1.1
71.14245	1.2
77.47793	0.7
79.17908	0.7
88.48274	0.7
88.98793	1.0
137.02361	1.0
161.02458	2.0
391.30215	1.8
393.31680	3.3
394.30936	0.9
425.34460	1.4
434.02979	0.9
437.30704	6.8
438.30768	1.4
439.31943	2.6
456.32034	1.2
457.32291	12.9
469.33221	30.1
470.33627	4.7
487.34067	100.0
488.34464	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	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34397	0.5
60.51740	0.4
70.39287	0.9
71.05019	1.3
83.05009	0.8
98.20522	0.7
127.87041	0.4
198.69606	0.4
222.36552	0.5
251.20198	0.6
380.89801	0.5
395.33182	0.9
409.31241	0.7
425.34619	2.6
427.32181	0.6
443.35184	1.8
453.33871	0.7
455.31427	0.9
469.33273	11.3
470.33597	2.0
487.34283	100.0
488.34720	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	488.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56842	0.6
55.50011	0.5
59.01380	7.1
61.98835	0.9
69.85186	1.2
69.85600	1.8
71.01388	1.2
71.05006	0.5
72.99315	0.9
73.02944	0.6
75.53625	0.5
85.02927	0.5
86.47568	0.6
89.50597	0.6
93.03456	3.3
96.46085	0.5
97.20251	0.5
101.02443	1.1
108.02184	1.3
109.02956	0.6
116.92870	0.8
117.03441	0.6
119.05003	1.4
121.02956	0.7
133.02937	1.7
133.04346	1.2
133.05339	21.8
134.03691	1.0
134.05670	1.2
135.04524	9.9
136.04912	0.8
137.02454	1.2
145.02975	3.2
146.03575	0.7
147.04530	0.6
160.01651	1.1
161.02420	3.9
163.04048	0.7
175.03926	0.7
179.03484	3.8
180.03830	1.2
189.91650	0.6
207.08188	1.2
208.05226	0.5
209.06200	0.7
219.04485	0.8
221.06245	0.8
222.06841	1.6
223.07625	1.6
224.04669	0.6
233.06041	1.9
234.06834	1.0
235.03935	0.7
235.07629	1.1
236.04596	0.8
237.05470	0.8
239.05620	0.7
240.06012	0.7
247.03973	0.7
248.04767	1.6
249.05554	2.5
250.06320	5.3
251.07092	9.3
252.07672	1.0
253.05183	0.8
261.05539	1.9
262.06314	2.4
263.07089	1.8
264.04266	1.3
264.07816	1.3
265.05057	8.7
265.08411	1.2
267.06735	0.8
275.07144	0.9
276.07333	0.6
277.05026	3.1
278.05753	4.1
279.06573	10.4
280.07120	2.2
281.04373	0.6
285.20636	0.8
289.05124	2.8
290.05859	3.2
291.06564	2.2
293.08102	3.8
294.08981	2.7
295.09702	0.8
303.06647	0.6
305.04532	1.6
305.08154	2.8
306.05334	6.9
307.06116	1.7
309.04041	15.7
320.06937	0.8
321.07657	10.5
322.08099	1.4
333.22299	0.7
336.08643	0.8
350.21808	0.6
364.08191	1.3
369.11279	0.8
379.10416	0.9
385.23734	2.5
387.24817	0.7
394.13013	3.7
397.10712	4.8
398.11209	0.7
411.12143	0.7
412.12189	7.9
413.12677	1.1
419.24435	8.0
422.10236	0.7
423.11154	1.3
424.11047	0.9
429.24753	0.6
438.13596	4.3
439.14142	0.8
440.11334	32.1
441.11566	5.6
447.25861	1.1
455.13724	34.4
456.14172	4.4
463.23538	0.7
470.16055	100.0
471.16339	14.7
471.31009	2.4
487.34244	1.3
488.17126	1.6
488.26019	1.6
488.34705	1.8
489.08249	3.2
489.26419	3.7
489.33005	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23558	0.1
58.00597	0.8
59.01382	1.3
61.98799	0.2
71.01382	0.4
71.05027	1.2
72.99319	0.2
73.02947	0.2
83.04995	0.3
97.06614	0.2
98.20739	0.2
101.02460	0.3
113.02491	0.2
114.20631	0.1
133.02959	0.3
134.03690	0.2
135.04509	0.2
137.02423	0.3
140.71594	0.1
151.03976	0.2
161.02457	1.3
178.02640	0.1
179.03548	0.2
276.28302	0.1
369.28027	0.3
371.29633	0.2
377.28348	0.3
393.31760	0.4
403.30017	0.5
405.31671	0.2
421.31030	0.4
423.32642	0.8
427.32135	1.5
428.32645	0.2
437.30615	0.9
439.32465	0.3
441.33542	0.2
443.35098	0.9
455.31711	0.3
467.31641	2.3
468.32147	0.2
469.33221	11.8
470.33530	2.1
487.34290	100.0
488.34665	17.1
513.32025	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95686	1.5
53.65019	1.8
59.01374	2.3
59.98505	1.9
60.99312	11.3
71.05032	1.7
81.62469	1.7
93.47715	1.6
97.06592	14.3
111.79488	1.5
155.12469	1.6
161.02444	1.9
163.75121	1.6
191.14401	2.2
361.72726	2.0
373.25113	1.9
389.28616	3.2
391.30228	3.7
393.27802	2.6
405.32019	12.7
406.31967	3.8
407.28549	2.7
407.33572	25.1
408.33755	2.8
409.31152	5.5
410.31635	2.0
423.32602	9.7
424.33328	1.9
425.34097	6.8
437.30573	2.3
439.31924	2.6
441.33755	31.9
442.33945	7.2
451.32169	13.7
452.32565	2.0
453.33734	30.2
454.34009	5.7
455.34338	5.1
467.31619	43.1
468.31763	9.1
469.33276	12.9
481.29208	1.8
485.32452	5.4
487.34219	100.0
488.34702	16.0
513.32190	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	487.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.8
59.01366	0.4
61.59480	0.1
71.01375	0.4
71.05018	0.8
73.02941	0.2
81.11684	0.2
83.05046	0.2
93.97640	0.2
97.06583	0.4
98.20630	0.4
98.25181	0.2
113.02477	0.2
161.02498	0.3
371.29626	0.2
375.27023	0.4
377.28577	0.7
391.30344	0.3
393.31702	1.6
394.32242	0.2
403.29898	0.3
405.31573	0.7
407.33551	1.5
408.33636	0.3
412.30984	0.2
423.32773	4.9
424.32983	0.7
425.34497	1.9
426.34586	0.3
427.32333	1.3
437.30536	0.5
439.32080	0.8
441.33908	1.6
443.35349	0.8
451.32260	0.2
457.33121	0.7
467.31754	1.1
468.32095	0.2
469.33197	12.2
470.33612	1.9
487.34283	100.0
488.34631	17.4
513.32294	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
65.59621	0.2
83.05001	0.3
97.06595	0.5
99.75806	0.2
123.90761	0.2
137.09752	0.5
161.02490	0.3
189.12828	0.2
205.15996	1.6
215.99968	0.2
339.65622	0.2
373.25146	0.5
375.26990	0.9
376.27570	0.3
377.28677	0.9
389.28473	0.5
391.30099	2.3
393.27274	0.3
393.31992	1.6
394.31964	0.4
403.30103	0.5
405.27945	0.9
405.31964	0.7
407.33243	12.2
408.33539	1.9
409.30984	0.4
421.31091	0.6
423.32962	3.4
424.33109	0.5
425.34250	15.4
426.34683	2.1
439.32172	2.8
440.32455	0.3
441.33817	5.0
442.34149	0.7
443.35107	1.0
457.33173	1.6
458.33585	0.3
467.31833	0.4
469.33194	8.6
470.33585	1.2
487.34277	100.0
488.34653	16.3
513.32196	1.1
514.32446	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12599	0.4
58.00577	0.7
69.70847	2.8
71.05019	1.0
98.52124	0.5
100.35734	0.4
146.90004	0.4
165.12560	0.5
179.52983	0.5
240.24554	0.5
299.35199	0.5
391.30429	0.6
407.33234	1.8
408.33401	0.8
423.32730	1.2
425.34348	2.9
427.32108	1.0
437.30698	0.7
439.32428	0.8
443.35281	1.0
467.31534	1.6
469.33185	12.3
470.33630	2.3
487.34262	100.0
488.34610	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	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
58.01332	0.3
77.30645	0.4
78.40171	0.3
80.23711	0.3
88.30377	0.3
98.79895	0.3
186.86917	0.4
219.26299	0.3
333.85382	0.4
335.91592	0.3
431.20190	0.4
487.34274	100.0
488.34598	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75180	0.0
59.01382	0.3
70.06818	0.2
71.01385	0.2
72.99301	0.1
73.02936	0.1
80.19276	0.1
85.02975	0.1
89.02460	0.1
97.02908	0.0
98.19927	0.1
101.02433	0.1
111.23206	0.0
113.02396	0.1
118.57990	0.1
133.02975	0.1
135.04503	0.0
159.91388	0.1
161.02444	0.2
173.70082	0.0
179.03505	0.1
277.49966	0.1
325.27237	0.1
391.30356	0.1
393.31451	0.1
407.29477	0.2
409.31018	0.2
425.30685	0.1
469.33105	0.2
487.34241	100.0
488.34592	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29055	0.3
59.01372	0.6
69.17805	0.3
69.29647	2.7
98.19804	0.5
118.76808	0.2
161.02417	0.3
409.31516	0.3
423.32602	0.8
425.34253	0.4
441.33862	0.7
443.35339	0.6
487.34280	100.0
488.34631	15.9
488.56253	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	487.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
58.00596	0.2
59.01379	0.3
60.99311	1.2
61.98803	0.2
63.53671	0.2
69.03470	0.2
71.01340	0.2
71.05017	1.6
73.02961	0.2
75.00883	0.2
82.34314	0.2
82.69473	0.2
83.05019	0.7
84.77334	0.2
91.41553	0.2
92.81749	0.2
97.06579	0.4
99.82665	0.2
104.24505	0.2
104.36717	0.2
111.08160	0.2
125.62483	0.2
137.09738	0.2
152.74329	0.2
155.10760	0.7
156.96957	0.2
161.02451	0.4
184.58900	0.2
205.15994	0.7
307.20465	0.2
307.47415	0.2
323.23901	0.2
341.25293	0.2
351.26984	1.6
353.24539	0.2
373.25174	0.2
377.28601	0.3
385.27655	0.3
391.26505	0.8
393.31693	0.9
401.26883	0.5
407.28806	3.5
407.33447	1.9
408.29855	0.7
411.28967	0.4
422.38391	0.2
423.33002	1.0
425.29681	0.4
425.35339	1.2
439.32501	0.3
441.33578	0.4
443.35156	0.2
469.33084	1.4
470.34238	0.4
487.34735	100.0
488.35150	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01209	1.0
59.01522	0.7
60.97062	0.5
71.04819	2.5
71.05263	1.7
76.63063	0.4
133.02754	1.0
133.42351	0.5
135.04321	0.7
145.02750	0.7
161.02155	1.5
179.03296	1.0
209.69231	0.4
325.94009	0.6
339.26630	0.7
369.27740	1.4
381.31213	0.5
411.32663	0.5
415.28534	1.3
423.32458	1.1
425.34381	0.8
443.35342	16.8
444.35565	2.8
457.33231	100.0
458.33551	15.6
469.33215	2.1
487.34323	89.6
488.34686	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	487.3429
Annotation	Arjunic acid
Peak:m/z	Relative Intensity
59.98521	16.3
60.99307	13.3
64.17325	1.3
69.03481	1.5
69.38276	11.8
71.05036	2.0
76.33517	1.4
76.98820	5.2
80.02674	3.0
82.39596	1.5
83.56444	1.4
90.08343	1.5
149.09721	1.7
245.93808	1.7
391.30292	2.7
399.32849	2.6
405.31903	3.1
407.33194	83.8
408.33432	10.3
409.35049	19.1
410.35193	3.9
413.30591	2.0
421.31244	2.3
423.32751	19.6
424.33282	3.8
425.34442	12.2
426.34406	1.9
427.36063	13.1
428.36523	2.6
441.33762	3.3
443.35294	3.6
449.30737	2.5
453.33789	40.7
454.34143	5.3
455.31702	9.2
457.32385	1.5
467.31723	6.4
469.33234	58.8
470.33539	11.2
471.35571	1.5
487.34335	100.0
488.34644	17.7
501.23102	1.9
513.32428	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72729	0.4
69.47958	2.1
72.71786	0.3
83.37554	0.3
124.97594	0.4
190.52208	0.4
487.34277	100.0
488.34613	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	487.3067
Annotation	Camphoratin A
Peak:m/z	Relative Intensity
54.22014	0.3
57.03461	0.5
58.00578	0.4
59.01384	2.2
60.99312	1.6
61.98817	0.4
69.34857	3.0
71.01397	0.6
71.05020	6.2
72.99303	0.4
73.02942	0.4
75.00859	2.4
76.71974	0.3
77.54980	0.3
80.91679	1.7
83.05026	1.1
85.06595	0.4
91.68642	0.3
97.06586	0.5
98.19868	0.6
103.88925	0.4
111.08179	0.7
119.08691	0.6
133.02927	0.5
135.04448	0.4
135.08282	0.4
137.09717	0.4
146.93895	0.7
147.08208	0.5
149.09726	0.6
155.10773	1.9
161.02403	1.8
163.03827	0.4
175.11211	0.6
203.96042	1.4
204.96332	0.4
228.43214	0.4
235.03964	0.3
277.50610	0.4
290.92065	0.4
307.20648	0.5
339.26886	0.7
369.06232	0.3
391.26419	1.5
392.26736	0.4
395.25894	2.1
407.29608	6.2
407.34442	0.6
408.29688	0.7
411.28952	4.1
412.29254	0.5
423.33121	3.0
424.32971	0.5
425.34351	1.4
439.27988	1.8
441.29959	0.7
451.28244	0.4
455.27783	0.4
457.33331	1.3
459.97861	0.4
469.29239	9.6
470.29660	1.7
482.14493	0.3
487.30124	100.0
488.30435	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	487.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
58.00588	1.0
58.50078	0.4
59.01384	5.7
69.03448	0.8
69.32549	3.9
71.01384	5.6
71.05016	3.3
72.99304	0.8
73.02958	2.4
75.36726	0.4
81.90973	0.5
83.01396	2.0
83.05028	1.0
85.02960	5.0
89.02449	0.5
89.14022	0.5
93.03461	0.8
93.07083	1.0
95.01391	0.7
95.05038	1.1
99.00891	0.6
101.02446	2.3
111.00877	0.5
113.02447	4.1
113.06091	2.6
121.06632	0.6
123.04522	0.8
133.02966	2.0
135.04491	2.7
141.01929	1.1
143.03506	0.5
145.02971	0.6
161.02461	2.2
161.04572	1.4
179.03493	1.1
213.18629	0.9
247.40454	0.4
250.80524	0.4
265.18100	0.5
307.02234	0.5
311.19946	0.5
321.18631	1.1
339.19601	3.2
343.24429	0.9
343.28293	1.1
349.21692	1.0
353.21158	1.2
355.22748	3.8
357.22787	0.8
358.17810	0.6
361.24570	0.6
371.22293	1.1
373.20041	6.3
373.23932	7.2
374.20508	0.9
374.24747	0.5
375.30725	0.6
377.28372	1.9
388.22534	15.7
389.22961	2.2
393.31793	0.8
395.29498	1.0
396.27014	0.5
401.27039	0.5
403.24838	6.5
403.29578	0.6
404.25266	0.7
405.32050	0.8
415.24411	2.3
417.22876	0.6
421.31174	1.0
423.32727	1.7
427.23343	0.5
427.32272	1.6
437.30499	1.6
443.35770	0.9
445.24423	0.7
454.27209	4.6
456.25235	1.1
467.31686	3.9
469.28610	2.9
469.33072	13.0
470.33414	2.2
472.28250	8.8
473.28564	1.4
487.34125	100.0
488.34448	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	487.3064
Annotation	Cilistol f
Peak:m/z	Relative Intensity
57.03450	1.6
58.00588	1.0
58.50078	0.4
59.01384	5.7
69.03448	0.8
69.32549	3.9
71.01384	5.6
71.05016	3.3
72.99304	0.8
73.02958	2.4
75.36726	0.4
81.90973	0.5
83.01396	2.0
83.05028	1.0
85.02960	5.0
89.02449	0.5
89.14022	0.5
93.03461	0.8
93.07083	1.0
95.01391	0.7
95.05038	1.1
99.00891	0.6
101.02446	2.3
111.00877	0.5
113.02447	4.1
113.06091	2.6
121.06632	0.6
123.04522	0.8
133.02966	2.0
135.04491	2.7
141.01929	1.1
143.03506	0.5
145.02971	0.6
161.02461	2.2
161.04572	1.4
179.03493	1.1
213.18629	0.9
247.40454	0.4
250.80524	0.4
265.18100	0.5
307.02234	0.5
311.19946	0.5
321.18631	1.1
339.19601	3.2
343.24429	0.9
343.28293	1.1
349.21692	1.0
353.21158	1.2
355.22748	3.8
357.22787	0.8
358.17810	0.6
361.24570	0.6
371.22293	1.1
373.20041	6.3
373.23932	7.2
374.20508	0.9
374.24747	0.5
375.30725	0.6
377.28372	1.9
388.22534	15.7
389.22961	2.2
393.31793	0.8
395.29498	1.0
396.27014	0.5
401.27039	0.5
403.24838	6.5
403.29578	0.6
404.25266	0.7
405.32050	0.8
415.24411	2.3
417.22876	0.6
421.31174	1.0
423.32727	1.7
427.23343	0.5
427.32272	1.6
437.30499	1.6
443.35770	0.9
445.24423	0.7
454.27209	4.6
456.25235	1.1
467.31686	3.9
469.28610	2.9
469.33072	13.0
470.33414	2.2
472.28250	8.8
473.28564	1.4
487.34125	100.0
488.34448	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	487.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22362	0.3
57.03444	0.8
59.01371	1.4
63.91923	0.3
67.79323	0.3
71.05025	10.5
75.00887	0.7
83.05036	2.0
97.06589	1.1
111.08169	1.7
116.39909	0.3
119.08683	1.1
120.05798	0.4
123.08158	0.5
133.06573	0.4
135.04581	0.4
135.08125	0.4
137.09724	1.4
149.09702	0.7
152.34084	0.3
155.10780	6.6
167.10698	0.4
181.12303	0.5
182.92795	0.3
187.11215	0.6
205.12289	0.5
207.13823	0.4
233.15392	1.1
257.15414	2.0
277.15579	0.3
279.86243	0.3
286.19345	1.2
287.47964	0.3
289.19690	0.7
293.19067	0.6
302.74536	0.3
303.21124	0.4
307.20642	1.3
309.22263	0.4
319.20767	0.7
321.22256	0.6
323.23737	1.7
335.23819	1.3
359.20370	0.5
371.29474	0.4
373.25311	1.0
375.23248	0.9
377.24698	0.5
389.28781	1.7
391.26459	7.6
392.26804	1.3
395.25638	0.4
405.27863	1.1
407.29538	39.2
408.29904	6.7
409.27551	0.4
411.28906	1.2
425.30600	8.1
426.30838	1.3
439.28387	0.4
441.30093	1.3
469.29340	2.4
470.29532	0.5
487.30325	100.0
488.30627	16.2
509.49850	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	487.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
58.00597	1.6
59.01381	100.0
59.65855	0.7
60.01710	1.0
61.98830	1.2
69.11530	0.7
69.81488	2.5
69.81899	1.6
71.01382	18.8
71.01756	1.2
72.99318	3.4
73.02952	19.5
73.97573	0.6
74.03316	0.8
83.01387	5.9
85.02962	7.9
87.00888	0.9
89.02448	5.3
95.01391	1.4
97.02982	1.0
97.06572	0.7
98.19863	1.2
99.00902	1.3
101.02444	16.3
109.02947	0.9
113.02442	8.4
119.03507	2.1
119.05019	1.7
123.04530	1.1
131.03531	1.2
133.02940	5.4
135.04541	6.5
137.02473	0.7
138.01979	0.7
145.02934	2.3
145.80670	0.6
149.02515	0.7
150.03261	0.8
159.03062	0.7
161.02440	16.3
161.04561	2.5
163.03964	0.9
175.04041	0.7
179.03496	4.0
193.05031	0.7
193.12209	0.7
197.04498	1.2
265.18097	10.8
284.02600	0.8
293.10300	2.6
327.21619	1.3
409.22314	0.9
427.23260	2.3
445.24350	4.9
469.24478	5.2
469.30664	1.0
470.25177	1.0
487.16388	3.3
487.25284	74.8
487.31790	8.5
488.17978	1.2
488.25699	9.7
488.32401	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	487.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45395	0.2
55.01789	0.2
55.02021	0.2
58.00495	0.2
59.01247	3.8
59.01588	1.8
70.42148	0.4
70.42553	0.3
71.01241	3.1
71.01682	0.8
71.04919	0.4
72.99175	1.1
72.99614	0.4
73.02798	0.9
79.89886	0.2
82.22755	0.2
83.01274	0.4
83.04887	0.3
84.40356	0.2
85.02802	1.0
87.00732	0.8
89.02296	3.0
89.02898	0.4
95.01282	0.4
98.19898	0.2
100.66858	0.2
101.02288	3.2
113.02297	1.5
113.87373	0.2
115.03806	0.2
119.03488	1.0
133.04959	0.3
161.04546	1.3
179.05489	0.6
189.20416	0.2
192.90855	0.2
201.07881	0.2
233.18982	1.0
235.08253	0.9
251.20152	100.0
252.20500	8.4
253.09276	12.6
254.09621	0.5
377.21793	0.2
387.29333	0.3
389.28568	0.2
405.31851	1.1
407.33670	0.4
409.27426	0.4
411.32944	0.3
413.34854	0.3
423.32834	0.3
425.31073	1.3
425.35690	0.4
426.30975	0.4
427.32581	0.7
439.32657	0.3
441.34210	0.4
443.31784	0.4
457.33386	0.3
469.33734	0.4
487.34900	19.8
488.35342	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.9
59.01382	100.0
60.01689	1.8
61.98817	3.1
68.09855	0.8
69.03455	1.0
69.58199	4.9
71.01384	15.9
72.99290	1.3
73.02950	18.0
81.03444	0.7
82.72330	0.7
83.01391	6.5
85.02958	4.7
87.00867	1.2
88.31098	0.8
89.01434	0.7
89.02456	6.2
90.23304	0.7
93.03458	0.9
95.01391	2.0
96.96003	1.4
96.96974	0.8
99.00832	1.0
100.36397	0.7
101.02448	23.7
108.02182	13.5
109.02965	9.5
110.89943	0.8
111.04510	0.8
113.01805	1.0
113.02465	12.8
116.92852	1.6
117.03476	2.5
119.03473	3.0
119.05023	3.8
125.02422	1.4
127.07639	2.9
129.05640	3.7
129.06465	1.0
131.03482	2.4
134.03764	1.1
135.04515	3.3
143.03461	3.3
145.02957	12.1
149.04544	4.7
151.99965	0.9
152.01161	14.5
153.01968	6.0
153.09222	1.3
161.02483	1.0
161.04553	8.1
161.05760	1.2
163.03987	4.9
175.04022	1.8
177.09192	0.9
179.03444	1.6
181.05122	1.2
193.05064	1.5
221.06630	2.0
283.06049	2.4
283.15442	1.6
294.09106	1.1
307.08078	1.2
311.05612	3.1
317.64166	1.0
325.10831	1.7
411.13629	0.8
425.14319	1.5
487.14520	29.8
487.24167	1.5
488.15323	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	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03434	0.8
58.00592	0.8
58.47573	0.4
59.01381	100.0
60.01719	1.7
61.98830	1.2
71.01383	17.5
71.05036	0.7
72.99310	1.9
73.02951	16.1
75.00921	0.4
77.19161	0.4
82.96307	0.5
83.01387	4.2
84.46338	0.4
85.02953	6.6
87.00887	0.9
89.02448	6.2
95.01396	1.4
96.03616	0.4
97.02968	1.0
98.44604	0.4
99.00879	0.9
101.02445	13.8
109.02967	0.6
113.02455	6.2
115.64189	0.4
116.05066	0.5
117.03487	1.0
117.36960	0.4
119.03489	2.1
119.04972	0.8
123.04484	0.4
125.02460	0.9
131.03513	0.5
132.02229	0.5
133.02971	3.6
135.04538	3.0
137.02438	0.5
143.03467	0.7
145.02963	1.5
149.04630	0.7
155.03545	0.6
160.01616	0.6
161.02451	8.9
161.04462	2.0
163.03920	0.5
175.04037	0.7
179.03513	2.0
179.05571	0.4
193.12280	1.3
205.04959	0.8
223.13368	0.5
242.75446	0.4
265.18060	5.9
266.18478	0.6
293.10477	0.6
323.07492	0.5
327.21719	1.5
367.17477	1.0
387.69943	0.5
409.22278	0.5
417.76410	0.5
422.48309	0.4
427.24185	2.0
445.24472	4.2
446.24484	0.8
469.24426	6.1
469.30737	0.6
487.25351	73.9
487.31760	5.9
488.18201	0.6
488.25739	10.4
488.32364	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	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03455	6.0
59.01382	60.6
59.01675	3.0
64.22066	1.7
71.01385	23.7
72.99315	22.0
73.02965	6.6
75.00875	24.8
79.27115	1.6
83.01402	3.8
83.05053	5.5
85.02944	13.4
87.00863	13.3
89.02478	4.2
95.01402	2.2
95.05033	2.3
97.03040	1.9
97.06628	5.0
98.19822	2.9
99.00919	3.2
101.02458	23.4
107.05032	14.7
113.02446	9.9
117.03475	8.1
119.05028	3.4
120.05847	7.0
133.02950	10.9
135.04517	12.3
135.08224	1.8
135.11801	2.0
145.02957	25.8
146.03583	1.7
147.04565	2.0
152.04826	2.9
157.06633	3.2
159.02998	1.9
161.02455	29.9
161.04507	10.4
161.09712	28.1
161.13383	19.4
162.10143	2.6
163.04092	7.0
163.11296	4.1
168.00699	2.1
179.03491	7.3
179.10878	5.0
187.07680	8.2
187.11258	43.5
188.11694	3.1
189.09212	26.0
189.10757	2.0
202.06505	2.1
203.10915	3.2
205.08800	1.7
205.12326	23.1
205.13968	1.9
206.12764	1.5
207.10258	8.2
213.09210	2.5
219.10350	5.9
223.13583	2.0
225.28560	1.9
231.10333	6.9
237.06187	28.0
237.09770	18.9
249.11263	12.0
267.12567	5.8
275.09439	2.6
281.09406	5.3
293.10327	24.6
294.10602	2.2
313.39832	1.7
325.13083	6.0
343.13992	4.2
428.16583	2.4
429.81244	1.6
445.23938	2.0
487.22189	100.0
488.17508	2.9
488.23593	12.3
502.32208	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50319	1.2
52.67568	1.1
53.94526	1.1
59.01378	96.8
61.98835	1.8
69.45113	8.5
71.01378	18.0
72.99290	3.3
73.02943	16.3
75.00867	17.1
76.83073	1.2
83.01381	6.0
83.05013	1.4
85.02946	4.2
87.00826	2.5
89.02457	9.8
98.19874	2.6
101.02443	18.6
107.05000	1.4
113.02448	8.5
117.03447	3.3
119.03553	2.3
119.05019	42.0
120.05388	1.5
121.02879	1.3
125.02426	1.7
125.05156	1.1
132.02171	1.2
133.02956	21.0
133.06586	1.9
134.03726	3.4
135.04523	100.0
136.04820	3.5
145.02942	13.0
147.04529	2.8
149.04535	1.9
160.01649	1.7
161.02438	64.5
161.04559	4.5
161.09625	1.3
162.02780	3.3
163.03998	13.4
177.05586	2.7
179.03487	84.0
180.03801	4.4
187.07620	4.1
187.11296	5.7
202.06221	1.4
205.12340	10.0
221.04469	2.2
231.10172	1.8
233.11842	4.6
237.06148	17.3
259.13315	2.3
269.04752	1.4
277.14450	3.3
293.10303	2.9
307.08237	12.0
323.07715	20.4
341.09042	2.7
403.29730	1.2
443.13406	4.5
487.12274	28.3
487.18365	10.1
488.12741	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99944	1.1
55.35419	0.9
58.32183	1.0
59.01383	100.0
60.55026	1.1
61.88110	0.9
66.05595	1.1
71.01367	5.5
73.02950	4.0
74.42448	0.9
78.07379	1.0
82.38949	1.2
83.01348	1.1
85.02939	2.7
89.02431	2.4
92.95857	1.0
95.01398	1.2
101.02461	4.9
113.02447	5.7
119.05071	1.4
123.08192	1.3
138.06863	2.9
139.07611	1.5
147.33731	1.0
151.07646	2.8
152.08449	8.6
153.09218	23.5
154.09508	1.6
161.04509	2.8
205.12326	10.2
223.13365	3.1
239.44853	1.2
323.07816	1.1
367.17627	27.2
368.17865	4.0
385.18628	4.3
427.19769	8.8
428.19974	1.4
433.46332	1.3
499.87302	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	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83390	0.5
57.36976	0.5
59.01381	100.0
60.01722	0.8
61.98842	1.5
71.01391	9.4
71.02126	0.9
71.02459	0.7
71.76311	0.5
72.99325	1.2
73.02953	6.3
75.00876	13.5
80.92235	0.5
81.03468	0.7
83.01405	3.4
83.05035	0.9
85.02963	2.5
87.00867	1.1
89.02446	4.1
93.03481	2.0
94.03794	0.6
95.01390	0.7
95.05045	1.8
96.96008	1.0
99.00917	0.8
101.02438	8.4
101.03054	0.6
109.02959	0.9
109.06618	0.9
113.02451	4.6
115.00371	0.8
117.03503	0.7
118.11713	0.6
118.53126	0.6
119.03534	1.6
119.05029	0.9
123.04518	1.0
125.02385	0.5
131.03506	1.6
133.02995	1.7
134.03743	6.8
135.04547	2.3
135.08171	1.2
137.02454	3.2
138.02824	1.5
138.06918	1.0
141.05621	0.8
143.03482	0.6
147.04530	1.9
149.04597	1.2
149.06084	1.4
151.07675	1.4
152.08434	2.3
153.01981	0.8
153.05577	0.9
153.09209	9.6
160.01691	4.5
160.04034	2.1
161.02502	3.6
161.04489	3.5
175.04010	7.4
176.04807	2.8
177.01913	0.7
177.09250	2.4
178.02647	0.6
191.07167	3.9
193.05064	6.4
195.10313	1.6
203.05670	1.1
205.12299	3.4
207.06633	1.1
223.13496	2.0
227.07249	2.1
233.99406	0.5
234.84109	0.6
235.06123	7.6
239.09178	3.0
243.44814	0.6
259.05106	0.7
265.09552	2.6
279.20956	0.6
291.06860	0.9
295.08377	1.1
309.07785	1.2
310.08423	0.7
311.09836	14.7
311.13165	0.8
325.10757	4.3
367.17557	3.3
385.18939	0.9
397.11575	1.2
411.12930	3.1
427.19745	4.0
480.49872	0.7
487.13849	17.6
488.14990	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	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17883	0.6
52.64517	0.6
57.03442	3.0
59.01381	100.0
60.01721	1.3
61.98832	2.9
62.17768	0.6
69.03470	2.7
71.01385	21.8
72.01753	0.6
72.99314	2.8
73.02573	1.1
73.02950	8.0
81.03455	0.6
83.01415	2.2
85.02964	3.6
87.00839	0.7
89.02447	3.9
95.05055	0.7
96.96030	0.9
98.19828	1.3
101.02445	6.9
103.04032	2.3
108.02199	1.2
109.02974	2.6
109.08398	0.7
113.02455	7.1
113.06113	1.5
119.03528	2.2
119.05047	0.8
121.02942	0.9
123.04532	1.3
123.08266	0.7
133.03026	0.6
135.04529	6.5
135.08191	0.6
135.37862	0.6
137.06052	0.8
137.09758	1.0
143.03542	1.0
145.03008	1.0
149.04604	0.7
151.03940	0.8
151.07635	0.8
152.01215	1.4
153.09261	4.3
161.02505	2.1
161.04617	2.6
163.11336	0.8
165.09253	3.2
179.03534	3.7
179.05650	1.7
187.11324	2.0
197.04623	1.5
203.05638	1.5
205.06149	0.8
205.12402	3.2
223.13394	29.4
224.13857	2.3
227.07236	1.6
235.78256	0.6
265.14484	1.9
267.06619	0.9
367.19257	0.6
371.20923	1.4
385.24033	1.4
406.48248	0.8
427.19974	1.7
439.25119	1.3
445.21231	0.8
469.21909	0.6
487.22198	8.5
487.30814	22.8
488.22885	1.3
488.31012	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	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23069	1.6
59.01381	85.3
60.01736	1.9
61.98833	6.2
65.05731	1.8
71.01385	25.1
72.99310	3.5
73.02946	7.0
75.00880	4.1
81.03477	6.7
83.01436	1.7
83.05035	6.6
85.02969	7.9
89.02455	18.5
93.03501	4.5
95.01401	1.8
95.05054	11.2
96.96044	2.9
99.04542	1.9
101.02446	20.5
103.04051	2.3
107.05077	3.1
108.02207	2.1
109.02960	6.4
109.06622	6.6
111.04529	4.3
113.02434	12.8
115.00380	12.3
115.92081	4.1
116.92916	3.5
119.03497	8.2
119.05037	5.7
121.02967	2.2
123.04523	7.1
131.05032	1.5
133.02963	4.5
134.03748	3.6
135.04521	8.8
135.08168	3.7
143.03548	1.9
145.02977	9.8
146.03735	2.3
147.04532	7.5
150.05666	2.0
152.01180	2.6
152.08394	2.3
153.09233	10.5
160.01720	2.1
161.02434	8.7
161.04596	3.8
161.06024	3.4
163.04085	3.6
165.05603	4.7
175.04071	3.5
175.07591	2.0
175.62698	1.8
177.09206	22.6
179.03497	4.8
179.05690	2.6
181.05179	2.4
184.48465	1.7
185.06113	1.8
186.48175	1.8
193.05165	2.5
195.10294	4.8
197.04660	2.5
205.12390	6.8
221.08211	4.7
223.13481	2.2
226.06488	1.8
227.07133	35.9
228.07578	2.7
229.47557	2.0
235.06065	2.1
239.09276	15.6
247.07642	2.6
251.07208	1.7
253.08583	2.6
254.09592	6.4
255.10228	2.3
259.04663	8.5
263.07034	2.8
265.09253	32.2
265.11880	2.7
265.14590	2.1
266.09610	1.6
267.06622	2.9
275.07095	2.8
276.07761	1.8
281.08313	6.6
282.09036	7.8
292.07300	2.9
293.08133	7.9
294.08972	15.3
295.09714	5.2
309.07617	17.9
310.08377	30.1
311.09372	3.1
325.10794	100.0
326.10773	19.1
341.10016	1.7
341.13004	1.6
351.65134	1.8
367.17496	3.2
394.40582	1.7
427.19809	3.2
437.61627	1.5
464.35654	1.7
469.17886	2.3
487.18381	69.6
487.25131	3.8
488.18851	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	487.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13375	0.3
59.01380	11.4
59.01676	0.7
61.98841	0.4
71.01385	2.8
71.66147	0.5
72.99332	0.6
73.02948	1.0
73.73993	0.3
75.00874	11.8
76.19244	0.4
83.01392	0.5
85.02971	0.5
89.02450	1.4
89.03991	0.5
101.02445	1.7
107.05020	1.0
113.02462	0.8
117.01940	0.4
117.03439	2.5
117.05616	0.5
119.05031	5.5
133.02972	2.1
134.03746	2.8
135.04526	100.0
136.04834	4.0
137.02367	0.4
145.02959	12.2
145.04099	0.8
146.03326	0.5
161.02443	5.2
161.04559	0.5
163.04022	3.7
179.03494	96.4
180.03822	5.4
187.07521	0.5
205.12419	0.6
219.05019	0.4
237.06143	14.3
238.06598	0.9
265.14423	0.6
293.10416	0.6
297.09726	1.0
307.08228	11.5
308.08469	1.1
310.08606	0.4
323.07681	2.1
325.10803	1.0
341.08722	3.1
342.09137	0.4
425.18109	0.4
427.15976	0.5
443.13562	3.0
444.13940	0.4
454.27570	0.4
487.12134	2.5
487.18256	9.5
488.12558	0.6
488.18579	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	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.4
69.76981	8.2
71.01389	7.9
73.02946	6.3
85.02960	5.4
87.51848	1.3
89.02480	2.3
93.03460	5.9
95.01401	2.1
97.02905	1.8
97.37106	1.2
98.19948	2.3
101.02470	6.8
111.00875	4.2
113.02450	9.7
117.03495	8.6
119.05028	84.6
120.05365	4.9
121.02937	2.4
132.05762	2.2
133.06601	9.5
145.02954	48.1
146.03239	2.4
159.04468	1.5
161.04532	4.1
161.06067	12.8
163.04015	100.0
164.04384	2.9
177.05536	2.3
187.03960	3.4
191.07135	2.1
205.05069	19.2
206.05540	1.5
217.05084	3.4
235.06108	4.4
265.07278	2.7
307.08209	2.1
325.09265	11.3
367.10318	3.8
370.15286	1.4
397.11279	1.9
487.14624	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	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.6
59.58881	0.9
59.63083	0.9
61.98840	0.9
69.03474	1.0
70.01205	3.6
71.01385	17.1
72.99319	1.3
73.02937	3.8
75.00860	1.0
83.01366	1.9
85.02950	3.9
87.00883	2.5
89.02435	15.5
89.18813	0.9
93.03447	1.9
94.80155	0.8
97.02927	1.1
101.02438	15.0
108.81199	0.9
111.00855	0.9
113.02425	6.2
117.03469	27.3
118.03812	1.0
119.03508	6.0
119.05023	62.8
120.05350	2.4
121.02947	1.1
125.02450	5.3
131.03479	1.5
131.05009	1.3
132.05788	0.8
133.06599	3.6
136.21606	0.8
143.03484	2.6
145.02951	100.0
146.03300	5.3
149.04515	1.1
158.03714	2.6
159.04494	5.6
161.04573	3.4
161.06033	6.3
163.04010	77.6
164.04326	3.4
179.05592	7.5
187.03996	19.1
188.04405	1.4
191.07166	3.5
205.05074	8.2
217.04993	5.8
221.06667	2.7
222.21718	0.8
235.06099	6.4
265.07111	1.6
307.08279	3.2
318.00983	1.0
323.09705	1.2
325.09186	0.9
341.10852	0.9
397.11102	1.3
404.29520	0.9
427.12360	1.8
487.14572	19.5
488.14926	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	485.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05035	1.3
98.19876	1.2
120.10098	0.4
198.72725	0.4
215.66650	0.4
225.42230	0.4
229.26524	0.5
395.79050	0.4
405.31708	1.0
413.30579	0.5
421.31241	0.7
423.32925	0.6
437.30566	0.4
455.31857	1.0
467.31546	6.1
468.32025	1.3
485.32709	100.0
486.33060	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	485.3271
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
59.01386	3.8
71.01389	2.2
73.02946	0.9
85.02946	0.4
86.16623	0.3
89.02440	1.6
93.30682	0.4
101.02441	1.8
113.02439	1.2
119.03506	0.5
161.04575	0.9
205.19554	0.6
231.17430	0.5
249.18596	45.9
250.18948	3.4
253.09308	6.9
371.25833	0.5
485.32727	100.0
486.33060	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	485.3272
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
52.71445	0.5
58.58814	0.4
58.79636	0.3
61.94917	0.4
70.78076	0.7
70.78424	0.8
71.05018	2.2
83.95703	0.3
98.53018	0.4
151.04550	0.4
168.57646	0.4
178.95624	0.3
187.17513	0.4
252.71028	0.3
294.75580	0.4
304.98029	0.4
315.95160	0.4
377.28473	0.8
393.31470	1.4
395.81522	0.4
403.29678	0.7
407.29996	0.4
421.31226	0.7
423.32758	3.0
425.30682	1.9
437.30493	1.4
439.32187	0.6
441.33835	0.7
455.31927	0.7
467.31689	13.3
468.32083	2.2
485.32706	100.0
486.33057	19.5
505.15256	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	485.3636
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
55.09150	0.4
60.99310	0.8
66.63314	0.4
71.05020	1.3
74.65086	0.5
78.95898	1.4
80.96325	0.7
81.43079	0.4
97.06596	6.3
98.20581	1.5
152.99637	2.9
155.00060	0.9
159.21756	0.5
180.04448	0.6
191.14372	0.7
255.23296	6.8
256.23608	7.0
257.23898	8.5
282.65985	0.6
310.45151	0.5
374.25873	0.8
377.28412	0.7
389.28464	1.5
391.30197	3.9
405.31564	7.7
406.31882	1.4
407.33182	10.4
408.33560	2.0
423.28653	0.8
436.24011	0.5
437.30649	1.2
439.32199	2.3
441.33694	10.5
442.34058	1.3
451.32181	37.1
452.32626	5.7
453.33728	100.0
454.27869	1.1
454.34070	17.3
471.34818	3.4
472.35779	0.7
485.27777	4.8
485.36322	13.9
486.36679	2.8
497.32687	10.2
498.33121	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	486.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95451	0.3
59.01382	0.5
65.90304	0.3
69.26748	0.3
70.54032	0.5
88.04043	53.9
89.04350	0.5
96.96027	0.5
101.24689	0.3
146.07330	0.3
147.08151	2.2
149.09705	1.3
161.09697	0.8
163.11307	3.2
163.97858	0.3
187.11290	2.7
192.07852	0.5
242.23892	0.3
259.64395	0.4
265.12375	0.5
279.13907	0.8
280.14734	0.9
307.16824	0.6
309.22211	2.2
321.18729	0.7
337.21732	100.0
338.22043	11.6
382.27499	0.9
486.26923	12.3
487.27118	2.3
487.34338	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	487.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.1
61.98833	0.9
71.01382	4.4
71.66280	1.2
72.99295	2.3
73.02939	1.0
75.00848	0.9
78.95872	1.0
81.65704	0.9
85.02946	1.7
87.00853	1.8
89.02466	1.1
94.32293	0.8
95.04993	0.9
96.95985	4.5
98.95623	4.3
99.00873	2.6
99.92586	62.7
100.92597	2.4
100.93358	5.8
101.02422	2.0
101.07191	1.0
108.02174	1.0
109.02940	2.4
112.95631	0.8
113.02452	2.7
114.94912	3.5
115.00381	1.1
115.92079	61.6
116.07213	6.5
116.92860	100.0
117.03468	2.0
117.92833	4.2
117.93646	2.4
119.05016	1.9
126.94936	0.9
127.05149	2.1
128.03516	3.9
130.92775	0.8
134.78481	1.0
135.04510	1.8
141.93639	2.0
142.94424	2.1
145.02960	7.4
145.06210	3.1
147.08144	1.2
152.01120	2.6
152.99640	1.4
153.01915	1.3
154.94434	0.9
156.95941	0.8
158.93886	2.4
160.01602	1.1
163.03958	2.5
170.93822	1.4
174.93361	2.1
179.03491	1.6
180.10280	4.3
185.16620	1.9
195.98303	0.9
196.95450	1.3
221.96240	1.8
222.97023	0.9
223.10829	1.5
225.11304	1.5
228.55412	0.9
239.97304	1.7
240.98116	1.0
241.11935	2.5
242.96016	2.1
265.14359	1.0
283.15475	3.3
291.03268	2.2
307.02557	1.1
307.08118	1.1
308.03506	1.5
309.04346	7.6
340.18753	4.6
407.07959	1.7
421.05869	1.3
444.81628	1.0
451.06989	39.2
452.07248	6.6
469.08063	8.7
469.22751	3.2
470.08105	1.2
487.08975	46.7
487.14658	3.3
487.24170	10.8
488.09293	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	485.3269
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.76768	0.2
57.03440	0.3
59.01377	3.0
68.04942	0.2
71.01377	0.9
71.05013	0.2
72.99310	0.3
73.02938	0.4
74.09000	0.2
82.95622	0.2
83.01405	0.3
83.05027	3.3
85.02955	0.6
87.00865	0.4
92.20825	0.2
97.02911	0.2
97.06592	0.5
99.00882	0.4
101.02457	0.3
113.02422	1.0
123.04507	0.3
125.02522	0.2
133.02913	0.4
134.06125	0.4
135.04538	0.7
137.02448	0.2
141.01901	0.5
145.02922	0.3
161.02411	0.8
179.03435	0.2
205.15988	0.2
283.19095	1.6
293.09470	0.3
339.26917	0.3
357.27960	0.6
375.27277	0.2
389.28644	0.2
401.27234	0.3
403.30075	0.3
405.31610	2.0
406.32135	0.4
413.30557	0.9
421.31183	0.7
423.32666	1.1
437.30630	0.6
441.33762	0.6
455.31564	0.3
467.31638	8.6
468.31958	1.7
473.32883	0.3
485.32721	100.0
486.17313	1.3
486.33075	16.3
511.30566	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	485.3272
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
56.65752	0.4
63.83683	0.4
69.44592	0.5
69.45200	3.3
77.94504	0.4
98.19886	0.7
147.25426	0.5
147.90941	0.5
166.85356	0.5
210.47795	0.5
226.37599	0.5
363.27283	0.6
409.31042	1.0
437.30515	2.4
455.31644	44.1
456.31946	7.4
485.32712	100.0
486.33090	17.6
486.38300	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	485.3273
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
59.01378	4.9
61.98813	1.1
68.35803	0.6
71.01405	1.2
71.65966	0.8
72.99325	2.9
83.05016	0.9
93.15220	0.7
100.53596	0.6
133.02960	4.9
134.03682	1.1
135.04535	4.1
137.02496	1.5
141.11920	0.7
149.02406	1.0
158.15291	0.7
161.02441	16.1
161.03709	1.3
162.02763	1.4
162.83914	5.9
177.01979	1.4
178.02658	0.7
179.03448	3.2
181.05157	0.6
193.05032	3.4
208.03758	1.2
209.04524	1.1
289.63144	0.7
300.19131	0.9
361.25278	0.7
377.28629	2.6
395.29626	8.1
396.29819	1.3
407.29068	0.7
409.31134	12.4
410.31598	2.0
423.32944	6.1
425.30618	1.9
439.28738	3.3
441.33994	30.5
442.34042	4.7
443.31497	4.8
453.29990	7.9
454.30521	1.6
455.31589	1.7
471.43411	0.8
485.32831	100.0
486.33185	16.9
487.30698	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	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03413	0.2
58.00579	0.3
59.01379	8.1
62.21147	0.2
70.39120	0.4
70.39493	0.4
71.01383	4.8
71.69509	0.2
73.02945	1.1
75.26480	0.2
83.01386	0.6
83.05028	0.6
85.02958	1.4
85.73107	0.2
86.20579	0.2
87.00886	0.6
89.02444	3.8
91.04018	0.3
92.73442	0.2
95.01374	0.4
96.69017	0.2
97.02929	0.2
97.06602	0.2
99.00907	0.4
101.02450	4.7
109.75427	0.2
113.02448	2.1
115.03926	0.2
119.03506	1.2
131.03467	0.2
133.05075	0.4
143.03502	0.4
161.04565	1.9
177.16417	0.4
179.05557	0.5
181.75107	0.2
205.19604	0.9
225.05150	0.2
231.17540	0.7
235.08282	1.3
247.17088	0.4
248.08107	0.2
249.18599	100.0
250.16278	0.3
250.18935	8.4
253.09288	14.5
254.09642	1.1
271.78705	0.2
421.31171	0.3
423.32849	0.4
427.99316	0.2
439.32205	1.2
453.91986	0.2
485.32779	11.4
486.33023	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	485.3264
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
58.77119	0.9
60.34012	1.0
61.98829	1.7
62.11572	0.9
63.94121	1.2
64.45422	0.9
64.60532	1.1
71.63169	1.4
79.26681	1.0
188.29680	1.1
190.66760	1.3
200.02997	1.1
202.35878	1.2
241.18274	1.1
248.08023	1.9
293.03143	1.1
296.63260	1.1
305.90811	1.1
437.30688	3.3
455.31631	7.9
485.32751	100.0
486.33060	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	485.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99673	0.9
54.40395	1.0
55.01868	1.5
57.03444	2.3
59.01382	57.6
61.98823	2.1
67.01903	1.0
69.03452	5.1
69.41638	5.0
69.42061	3.2
71.01387	16.5
71.05020	1.1
72.99310	2.5
73.02946	6.8
81.03463	16.0
83.01403	2.4
83.05032	20.2
85.02950	11.0
87.00888	1.1
89.02459	6.0
93.03457	7.0
95.01379	2.1
95.05032	38.3
96.96012	2.9
97.02960	1.2
97.06602	1.3
98.95583	1.2
99.00903	1.7
99.92585	9.8
101.02441	9.5
101.06092	3.1
107.05061	2.3
108.02203	2.1
109.02950	4.9
109.06585	18.1
110.06928	1.3
111.00895	1.5
112.93746	1.8
113.02467	5.4
115.92085	10.8
116.92090	2.2
116.92857	18.1
117.28562	0.9
117.92836	1.3
119.03516	1.7
119.05075	2.2
121.06618	2.0
123.04542	8.4
125.02418	1.3
127.04053	1.3
131.05002	1.7
133.06596	2.4
135.04535	6.5
135.08160	12.3
136.04836	1.1
137.02446	7.6
141.05618	6.1
141.93602	2.2
147.04553	3.6
149.06100	2.0
152.01158	1.7
153.01953	5.6
157.06622	1.3
159.04562	1.1
159.08159	6.7
161.02451	3.4
161.04555	3.9
161.06093	3.4
162.03305	1.3
170.96800	0.9
173.05983	1.2
175.04022	1.4
175.07617	6.0
177.01961	3.3
177.09210	87.5
178.09579	3.9
179.03526	2.2
179.05730	1.4
179.07033	4.9
190.02687	1.5
191.03525	1.7
195.10295	7.8
212.95010	1.2
221.08195	29.2
221.10266	1.9
222.08595	1.3
239.09244	3.0
242.96027	4.5
243.96721	1.3
261.97922	2.0
267.28317	1.1
346.97134	3.2
347.97873	3.5
365.13931	1.2
485.20410	100.0
486.21121	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	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94561	0.1
55.01875	0.5
57.03438	0.3
58.00592	0.3
59.01381	8.2
69.33322	1.1
69.33732	0.3
70.03085	0.1
71.01382	4.9
72.07601	0.1
72.99310	0.2
73.02951	1.7
73.43944	0.1
83.01395	0.6
83.05033	0.4
85.02950	1.2
87.00877	0.5
89.02444	3.8
91.04003	0.3
95.01405	0.5
97.02946	0.2
99.00883	0.3
101.02447	5.1
102.02804	0.1
109.06612	0.2
113.02453	1.9
115.03985	0.3
119.03502	1.1
125.02442	0.3
131.03476	0.2
133.05067	0.2
143.03502	0.4
157.04980	0.2
161.04552	1.8
177.16461	0.4
179.05612	0.5
205.19656	1.1
206.20113	0.2
231.17529	0.7
235.08282	0.9
247.16920	0.3
249.18588	100.0
250.16254	0.3
250.18925	8.2
253.09277	16.2
254.09586	0.9
373.29095	0.2
405.31924	0.2
407.29437	0.2
421.30881	0.2
423.32648	0.6
439.32251	1.2
441.33649	0.7
455.31863	0.2
467.31516	0.2
485.32712	25.7
486.33060	4.1
486.38507	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	485.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01381	5.4
61.98840	1.0
64.93324	0.5
69.70476	1.2
69.70887	2.6
71.01383	2.0
72.99289	0.7
73.02948	2.4
81.03467	1.8
83.01383	1.0
85.02939	2.3
89.03963	1.6
95.01398	1.4
97.02964	0.8
97.06576	3.4
99.00915	0.8
101.02444	1.7
101.60931	0.7
105.03469	1.4
108.02177	39.5
109.02966	25.4
113.02444	1.0
119.05045	1.0
123.04544	0.8
123.08162	1.5
125.09729	16.8
133.02948	5.9
135.04533	7.8
139.07617	0.8
147.04520	4.7
152.01154	57.6
153.01953	18.9
154.02335	1.0
161.02428	2.8
161.04536	0.7
161.06079	0.6
163.03992	1.9
176.01169	0.7
177.01927	51.2
178.02237	2.6
179.03494	1.1
187.09766	10.0
205.01498	0.8
207.75381	0.6
211.09747	2.4
215.12871	1.7
225.11310	1.7
247.60985	0.7
271.11801	1.4
281.03857	0.6
299.71545	0.6
315.07312	1.2
339.07272	3.1
441.17578	2.9
485.11212	4.2
485.16644	100.0
486.10626	1.2
486.17068	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	485.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26173	1.0
55.01876	3.1
56.76835	1.0
57.03455	1.3
58.00591	2.2
59.01086	2.2
59.01381	38.9
61.98835	6.5
70.97994	2.4
70.98330	1.4
71.01388	26.5
72.99286	2.9
73.02937	3.3
78.95882	1.7
79.95725	1.1
83.01391	4.6
85.02956	6.4
87.00871	3.0
89.02447	21.2
90.71527	1.0
95.01389	2.4
96.96009	31.2
96.96941	1.4
97.44947	1.0
99.00880	1.5
99.92570	2.3
101.02451	27.5
101.29896	1.1
108.02161	1.5
109.02959	1.8
113.02438	8.2
114.93412	2.1
115.92056	4.7
116.92852	1.7
119.03510	9.2
119.12468	1.1
123.04495	1.2
131.03493	2.1
135.04506	6.0
145.02953	1.0
145.07730	3.3
146.04825	1.7
152.01118	1.6
153.01964	1.9
159.02983	1.2
159.09276	1.3
160.06427	13.7
161.02516	1.7
161.04533	3.5
161.07208	66.3
162.07504	3.0
173.10841	1.4
175.08762	27.7
176.09093	1.5
179.03502	9.4
179.05537	1.7
185.10905	1.3
187.08772	3.6
189.06686	97.7
190.07033	6.7
201.10266	2.8
203.08258	23.9
203.11804	5.0
204.08629	1.5
221.06738	1.9
229.09813	14.5
241.09773	2.5
277.11896	1.7
287.10315	1.5
305.11414	30.1
306.11819	2.5
323.12378	7.2
387.16699	4.9
445.19305	1.5
457.51831	1.3
485.17786	100.0
486.18204	13.2
486.24753	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	485.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.7
61.98862	1.0
69.50500	7.7
70.28201	0.9
70.64342	0.8
70.84733	0.9
71.01380	8.3
72.99308	44.9
73.02944	7.4
83.01390	2.1
83.05038	3.4
85.02937	2.3
87.00884	1.4
89.02441	2.2
93.03426	2.1
97.06604	1.1
98.05637	0.9
101.02446	8.0
105.03478	1.0
107.05045	1.1
108.02211	1.9
109.02953	3.8
109.72594	1.1
111.00922	1.2
113.02460	3.5
117.03496	1.8
119.03577	1.1
121.02963	8.4
121.06601	1.0
123.00877	1.5
123.04504	5.2
124.01643	2.6
125.02435	1.5
127.00375	1.1
133.02962	22.5
134.03748	7.6
135.04524	100.0
136.04893	5.6
137.02438	19.0
138.03200	1.7
139.04007	3.5
141.02025	1.3
143.03462	1.4
145.02972	4.1
146.03723	3.5
147.04532	1.8
149.02441	33.1
150.03239	13.3
151.04030	7.2
152.04758	2.0
153.01891	1.2
159.03001	1.1
159.04535	3.7
160.01637	1.2
161.02444	78.8
161.06102	3.9
162.03255	8.0
163.03986	6.9
164.04773	2.6
165.01930	7.0
166.02722	4.4
167.03494	1.9
174.03244	2.0
175.07631	23.1
176.07991	1.8
177.01930	53.3
177.05502	5.9
178.02704	7.0
179.03493	93.9
180.03877	3.4
181.05092	6.8
184.03778	1.0
189.09131	1.3
191.03532	2.3
192.04277	1.6
193.01428	8.1
194.02193	20.8
195.02647	1.2
197.04556	2.7
203.07111	4.1
205.05083	1.0
208.03763	37.6
209.04535	46.1
210.04932	2.5
219.10239	1.7
226.04845	4.9
229.08530	1.2
233.08113	1.2
263.09213	4.0
263.16455	5.1
267.06650	3.9
268.07291	2.2
269.08194	4.1
281.13950	1.4
281.17349	1.0
291.08798	12.9
298.08374	5.8
313.07074	6.3
314.07751	1.0
323.11224	6.1
332.09052	1.6
388.07953	2.8
407.21875	1.1
421.31247	1.6
441.33829	3.3
443.22647	1.0
467.31607	5.7
485.23758	7.8
485.32703	42.1
486.32999	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	485.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	42.7
61.98833	56.5
66.03451	3.0
69.33770	6.1
69.34195	18.6
69.51643	2.2
71.01379	11.5
72.99309	62.4
73.02932	9.7
83.01384	5.9
85.02983	2.7
87.00869	3.5
89.02450	4.8
101.02433	7.2
107.77303	2.7
109.02954	5.9
113.02431	4.5
121.02972	5.6
123.00869	2.8
123.04517	6.4
124.01695	4.2
125.02470	3.2
126.90465	4.1
133.02954	26.8
134.03688	8.0
135.04527	100.0
136.04855	3.6
137.02449	19.9
138.03236	2.5
145.02997	3.3
149.02467	19.5
150.03203	12.6
151.03984	10.9
152.04750	2.8
156.96904	2.5
159.04498	6.3
161.02446	95.4
161.06081	5.2
162.02898	4.4
163.04030	5.6
164.04771	4.8
166.02705	6.3
177.01932	60.1
178.02550	7.9
179.03494	93.1
180.03937	3.7
181.05067	13.8
193.01405	10.6
194.02196	15.7
197.04654	2.8
203.07182	3.5
208.03757	46.9
209.04521	47.8
211.07489	3.0
217.08722	5.3
219.10327	3.9
226.04794	13.0
233.08290	3.9
247.09703	5.9
263.16525	6.7
267.06586	10.8
268.07339	7.1
269.08130	3.4
281.13907	3.6
285.46964	2.6
291.08801	16.3
299.09103	3.3
300.10077	4.3
311.05637	5.4
313.07217	7.4
323.11349	17.9
398.46375	2.7
425.22101	4.3
443.22760	3.9
453.11188	2.9
467.27649	2.8
485.23724	11.4
485.32996	5.1
486.24033	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	483.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22546	0.3
61.98783	0.5
71.63031	0.4
73.02936	0.4
99.34521	0.3
111.52457	0.3
131.15419	0.3
160.54680	0.3
181.24318	0.3
315.01974	0.3
368.53159	0.3
407.29361	0.7
435.29102	0.8
453.30096	39.7
454.30383	6.7
483.31168	100.0
484.31519	17.4
484.38574	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	483.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81376	0.6
55.01875	0.6
57.07724	0.5
57.99828	0.5
59.01360	0.9
61.53685	0.5
70.19615	1.2
70.20002	1.4
83.05025	6.6
93.03489	0.9
97.06567	0.5
126.71467	0.6
161.02484	0.7
171.98370	1.0
175.54552	0.6
193.94861	0.6
231.77654	0.6
325.25333	1.5
355.26483	2.7
375.26837	1.6
391.30063	3.8
392.30612	0.6
401.28702	1.0
403.30203	0.7
405.27740	1.1
411.29086	2.3
419.29742	1.3
421.31335	4.1
422.31665	0.7
435.28772	3.3
436.29388	0.6
439.32080	1.4
440.32977	0.8
453.29901	2.5
465.30109	24.4
466.30466	4.4
483.31174	100.0
484.31540	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	485.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53173	0.2
57.03440	0.3
59.01381	3.0
61.98826	0.9
66.82953	0.2
69.62662	0.6
69.63069	1.4
71.01384	1.2
73.02944	1.0
74.99097	0.4
81.03455	0.6
85.02953	1.5
87.00878	0.4
89.03965	1.5
93.03454	0.4
95.01379	0.3
95.04961	0.4
97.06586	0.8
101.02444	0.7
104.02706	0.5
105.03459	3.7
108.02180	17.2
109.02959	10.4
110.03294	0.3
112.34954	0.3
113.02428	0.6
117.03476	0.5
119.05021	1.6
121.02944	0.5
123.00886	0.4
123.04559	0.5
123.08192	0.2
125.08783	0.4
125.09720	6.7
126.90437	0.3
133.02960	8.1
135.04539	2.9
137.02466	0.3
145.02983	1.1
147.04512	0.8
148.01678	0.3
149.02432	1.2
151.03960	0.4
152.01157	22.3
153.01944	8.2
154.02325	0.3
155.10754	0.3
161.02415	1.2
161.04611	0.3
161.06021	0.7
163.04012	2.0
167.03439	0.5
176.01155	1.2
177.01927	100.0
178.02274	4.8
181.09760	0.3
187.09761	3.2
197.04695	0.4
201.11327	0.3
211.09781	1.0
215.12868	0.6
225.11244	0.5
229.10939	0.4
263.16437	0.4
271.11737	0.3
315.07178	0.5
339.07184	5.8
376.67963	0.3
441.17679	1.0
485.10669	6.4
485.16690	34.2
486.11115	0.9
486.17010	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05376	0.4
70.96617	0.6
70.96964	1.0
78.95903	16.8
84.00208	0.4
96.96967	1.5
112.42986	0.4
146.88298	0.4
152.99593	27.1
153.99875	0.5
171.00650	1.8
227.03218	4.5
245.04321	1.2
255.23291	100.0
256.23672	8.2
354.30811	0.5
391.22580	0.8
483.27292	50.9
484.27661	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	483.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37447	0.4
71.05018	0.4
71.66618	0.5
78.95905	13.7
80.96328	0.7
85.77168	0.3
96.96961	0.9
114.90292	0.4
133.02945	0.8
151.07655	1.3
152.99585	20.5
153.99921	1.6
155.00006	2.5
161.02388	1.0
171.00626	3.1
173.01053	0.8
174.33670	0.4
209.52248	0.4
227.03214	3.0
245.04269	6.9
246.04678	4.6
247.04773	6.8
253.21707	3.7
254.21999	3.0
255.23293	100.0
256.23636	9.2
269.36542	0.4
421.31110	1.6
439.32440	0.4
447.91763	0.4
457.63541	0.4
465.30057	1.8
474.75128	0.4
483.25955	25.2
483.32190	5.9
484.27136	2.4
484.32208	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	482.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
69.37241	0.2
69.37918	2.1
71.01383	0.4
74.71838	0.2
84.03813	0.3
85.02972	0.3
93.03467	0.3
101.02433	0.3
113.02430	0.3
117.03469	29.4
118.03809	1.0
119.05032	10.0
119.05892	0.4
120.05395	0.4
121.02975	0.4
128.23825	0.2
145.02956	100.0
146.03288	4.7
146.04349	0.4
163.04013	14.3
164.04338	0.8
291.08667	0.4
307.69537	0.2
314.88342	0.2
349.09430	1.3
422.12665	1.2
440.13507	0.4
482.14554	12.2
483.14975	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	482.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07826	0.5
55.19406	0.4
59.01383	12.7
60.63453	0.5
61.98827	1.2
71.01379	3.3
72.99302	1.0
83.01373	0.7
85.02950	1.5
86.83773	0.5
87.00915	0.9
89.02437	0.7
99.00800	0.6
101.02455	1.7
113.02461	1.8
113.68616	0.5
115.99046	0.5
117.03469	28.3
118.03780	0.9
119.03594	0.7
119.05038	8.6
121.02960	1.0
123.04533	0.6
131.03758	0.8
133.02930	1.3
135.04510	2.4
143.05034	0.9
145.02954	100.0
146.03279	5.0
147.04517	1.6
149.02493	0.6
161.02454	5.0
161.04553	1.2
163.04008	11.1
164.04337	0.7
179.03520	1.5
187.04047	1.1
289.07159	0.8
291.08679	1.4
307.08228	1.4
311.05984	0.5
362.33359	0.6
377.10226	0.6
422.12415	15.7
423.12717	1.6
440.13568	8.4
441.13721	1.3
481.33017	0.9
482.14575	16.4
483.14679	2.9
483.30045	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	482.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21863	0.7
56.78349	0.8
58.20153	0.8
59.01087	1.4
59.01379	26.2
61.98832	100.0
66.75879	1.0
69.56857	5.3
70.59047	0.8
70.76536	0.9
71.01393	11.6
72.99307	1.9
73.02941	12.2
83.01405	4.5
85.02937	2.9
89.02429	3.9
93.03452	2.0
95.01405	1.1
96.70218	0.8
98.19894	0.8
101.02442	11.3
109.02923	2.2
109.85228	0.8
113.02431	6.3
117.03457	3.9
119.03519	1.7
119.05032	1.8
131.03549	1.6
133.02931	2.8
135.04520	16.8
136.04929	1.0
137.02440	4.3
143.03497	1.5
145.02937	11.9
149.02454	1.2
149.04579	1.6
161.02486	7.4
161.04572	3.4
163.03979	2.2
179.03520	4.7
193.04968	0.8
197.04503	1.6
230.08150	2.1
232.65898	0.8
265.04874	1.1
295.24188	1.6
327.27176	1.0
346.53110	0.8
369.22888	0.8
451.63791	0.9
482.15482	1.3
483.23886	0.9
483.31012	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	482.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.9
61.55864	0.6
61.98832	100.0
69.27576	1.3
69.27984	5.1
71.01376	8.6
72.99299	0.8
73.02943	10.9
75.11169	0.6
77.53679	0.6
83.01400	3.6
85.02972	1.9
89.02452	2.7
91.78320	0.6
96.96024	0.6
98.19838	1.2
101.02452	11.9
101.03066	0.8
109.02969	1.0
113.02443	3.8
117.03466	1.4
119.03542	1.3
131.03520	1.2
135.04547	2.2
137.02396	0.9
143.03508	1.2
145.02980	4.8
149.04578	1.6
153.01950	1.0
161.02460	0.9
161.04608	4.0
163.04028	1.5
179.03526	1.0
189.43655	0.6
221.06683	0.7
277.97147	0.7
405.24573	0.8
412.84149	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	482.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56511	0.2
59.01381	5.3
61.98837	0.3
67.01909	0.3
68.99813	2.2
69.35741	0.5
69.36155	1.3
71.01384	3.2
73.02948	1.1
73.45978	0.2
74.83696	0.2
83.01392	0.3
85.02948	1.6
87.00863	0.4
89.03979	0.3
93.03458	0.6
95.01381	0.2
97.02923	0.3
98.20573	0.3
99.00873	0.2
101.02439	1.7
102.06029	0.2
113.02467	1.7
115.05505	1.5
117.03467	30.9
118.03791	1.2
119.05025	29.9
120.05321	1.3
120.50412	0.2
121.02965	0.6
123.04568	0.2
130.04282	0.2
131.03746	0.5
133.02956	0.6
133.06630	0.2
135.04503	0.7
140.25058	0.2
143.05026	25.4
144.05373	1.3
145.02951	100.0
146.03299	4.1
146.99724	0.2
147.04543	1.4
159.03105	0.2
159.04495	0.3
161.04561	3.4
161.06084	7.2
162.06380	0.5
163.04005	21.9
164.04369	0.7
173.06122	0.2
175.03888	0.2
187.03999	27.7
188.04227	1.6
188.05475	0.3
205.05042	8.2
223.06136	0.2
289.07294	0.4
291.08719	1.2
307.08270	0.4
349.09167	1.6
355.98267	0.2
362.08722	0.3
422.12430	5.8
423.12933	0.8
440.13397	2.6
450.16861	0.3
464.06317	0.2
482.14578	13.5
483.14749	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03438	0.8
59.01370	1.7
61.98829	0.6
69.03448	1.2
69.70658	2.0
69.72521	0.3
71.01379	3.3
73.02950	1.3
81.03467	1.2
83.01395	0.6
85.02953	4.0
93.03456	0.8
95.01389	2.3
97.02924	0.5
99.00900	0.7
101.02462	1.9
107.01373	0.4
108.02177	66.3
109.02960	47.2
109.03757	0.6
110.03288	1.4
113.02437	1.7
117.03436	0.8
119.05062	0.8
120.12313	0.3
121.02943	0.7
123.00879	2.7
123.04499	0.4
123.16019	0.4
125.02366	0.3
134.03705	0.4
135.00922	0.7
135.04520	0.9
137.02480	0.7
139.11333	1.9
145.02954	2.3
147.04510	0.4
151.04007	1.1
152.01154	66.6
153.01941	21.6
154.02298	0.9
161.02391	1.2
161.04515	0.8
163.03998	1.4
165.01961	1.1
179.03477	0.9
183.10284	2.2
187.03975	0.6
275.74301	0.3
297.06345	0.4
315.07330	2.2
315.10422	0.4
355.56491	0.3
481.17133	100.0
482.17505	15.0
494.34958	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35432	0.9
69.39034	3.0
69.39462	5.7
78.95905	47.8
91.64101	0.9
92.65765	1.0
96.96967	4.1
152.99586	64.1
153.99834	1.3
171.00629	17.5
221.23178	1.2
227.03281	3.4
245.04300	100.0
246.04597	3.3
253.21709	66.5
254.22063	7.5
408.40753	1.0
481.25702	44.5
482.25848	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40045	1.2
52.08746	0.9
53.93900	1.3
70.00652	5.3
78.95903	69.7
93.62242	1.0
96.96965	5.6
98.20586	1.3
150.97989	2.4
152.99596	100.0
162.05994	1.1
171.00656	14.3
208.48077	1.0
227.03267	9.3
245.04294	68.2
246.04530	2.3
253.21722	55.5
254.22049	4.5
300.63867	1.1
481.25711	97.4
482.25964	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04306	1.0
56.21883	1.0
68.08264	1.3
69.38953	3.9
69.39380	4.8
69.54979	1.0
70.80692	0.9
78.95901	49.4
96.96951	3.8
152.99580	64.3
171.00639	19.1
218.84808	1.1
227.03316	4.7
245.04298	100.0
246.04616	1.7
253.21722	67.0
254.22087	5.9
288.64731	1.1
481.25717	43.9
482.26172	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	482.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.6
61.98832	0.5
65.97703	0.3
71.01383	2.0
72.99290	0.4
73.02941	0.7
73.74854	0.3
83.01396	0.4
85.02939	1.6
87.00893	0.3
89.02443	0.5
93.03436	0.5
101.02445	1.0
113.02431	0.9
116.05025	0.4
117.03473	29.8
118.03797	1.5
119.05025	8.1
121.02999	0.6
121.10751	0.4
123.04516	0.4
131.03740	0.5
133.02966	1.2
135.04509	1.9
140.56863	0.3
145.02956	100.0
146.03304	4.4
147.04515	1.2
155.42868	0.3
157.06618	0.3
161.02470	2.0
161.04506	0.8
161.06010	0.5
163.04012	8.2
163.05360	0.4
164.04385	0.7
173.06111	0.4
179.03503	0.4
187.04036	0.4
205.05203	0.7
253.63815	0.3
258.87820	0.4
289.07220	0.6
291.08856	1.7
307.08286	1.2
308.71191	0.3
349.09192	0.5
373.25616	0.4
422.12436	14.3
423.12701	1.8
440.13458	7.5
441.13928	1.2
482.07495	0.6
482.14572	12.3
483.15070	2.9
483.31024	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	480.3093
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
61.98824	1.7
78.95905	18.9
82.30262	0.3
98.20631	1.0
122.00177	0.7
122.98500	0.3
124.09189	0.5
140.01186	5.1
148.29008	0.3
152.99605	2.4
153.17662	0.3
196.03801	9.5
214.04823	2.1
229.62598	0.3
283.26425	100.0
284.26773	10.1
467.64905	0.4
480.30933	29.2
481.31326	4.1
503.11432	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	481.12
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98031	7.6
57.03446	0.7
57.98371	0.6
58.00604	1.1
59.01377	14.9
59.21736	0.7
61.98823	1.3
70.63758	0.6
71.01381	10.5
72.74954	0.6
72.99292	1.5
73.02938	1.2
78.79773	0.7
79.95289	0.5
79.95733	11.7
80.96522	1.9
81.03456	0.9
83.01423	0.8
83.05029	0.7
85.02953	2.9
87.00907	1.0
89.02453	6.2
93.03455	6.0
94.98091	7.9
95.01399	1.0
96.96014	1.9
98.20605	1.9
101.02452	5.0
107.00370	0.6
108.02171	17.0
109.02966	10.4
110.02515	0.6
111.04528	2.6
112.04043	2.1
112.93701	1.0
113.02461	2.4
119.03562	1.1
119.05022	13.2
122.06169	0.6
123.04521	1.1
124.04044	1.4
133.02963	0.7
135.04517	2.1
137.02419	4.4
137.09680	1.1
138.97012	0.9
145.02943	1.8
152.01158	19.4
153.01942	8.9
155.03499	3.0
161.02359	0.7
161.09714	30.1
161.11076	1.5
162.10056	1.3
163.03995	13.4
166.05089	6.4
166.14838	0.7
179.05557	0.9
181.05093	0.8
184.06094	1.8
187.11320	10.8
188.11609	0.8
198.99364	0.9
205.06810	0.6
209.09996	0.9
219.08466	2.6
221.10043	100.0
222.10355	7.5
237.09547	4.5
258.05447	0.7
259.01276	0.9
265.07230	1.1
301.05713	81.6
302.06003	7.3
315.07108	5.5
319.08237	8.3
320.08420	1.0
327.24878	0.8
347.17068	1.0
348.17548	1.0
349.17734	2.6
481.12158	57.2
481.25632	3.4
482.12912	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67411	0.4
52.94278	0.4
57.03445	0.5
59.01378	4.1
61.98833	100.0
69.52055	3.6
71.01397	3.9
72.99310	3.0
73.02948	1.1
78.95911	2.0
83.01405	0.7
85.02967	1.7
89.02467	0.8
93.03545	0.5
101.02450	2.6
104.01137	0.4
104.68445	0.4
109.02974	0.6
113.02453	2.3
119.03503	0.5
119.05018	0.8
123.04523	1.0
133.02974	0.7
135.04530	3.9
136.04871	0.5
137.02475	1.6
145.02942	1.0
149.02527	1.0
151.03993	0.9
153.01942	0.5
153.05563	0.6
161.02470	2.1
161.04599	1.5
163.03989	0.8
170.20496	0.5
174.03226	0.6
179.03522	2.7
189.05548	2.0
197.04538	2.1
198.04968	0.7
244.09825	0.8
289.16577	5.3
313.16858	0.4
318.09741	2.7
331.17462	0.5
359.10272	0.5
360.10501	0.9
373.19055	0.8
421.20792	3.7
480.12833	1.3
481.21136	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	480.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50734	0.9
59.01381	39.8
61.98831	100.0
67.01888	1.3
68.05055	1.3
68.15810	0.9
71.01378	3.5
71.54443	0.8
73.02944	1.3
75.89619	0.8
82.02975	1.6
83.01408	1.8
85.02934	1.0
85.34708	1.1
89.02446	3.3
98.19839	2.1
101.02431	3.3
105.84857	0.9
108.02185	1.7
109.02964	2.1
110.06104	3.0
112.04075	5.4
113.02447	3.0
119.04948	1.0
120.99662	7.3
122.00001	1.8
128.07179	3.3
135.04514	1.5
148.05315	9.6
152.01114	1.2
154.05110	10.0
161.02455	4.9
161.04477	1.4
163.07658	5.1
172.06169	4.7
196.06192	1.2
245.83325	0.9
316.10461	1.2
334.36734	0.9
373.18481	2.3
467.30389	0.9
480.12772	1.7
480.18787	3.9
480.25620	2.5
481.18552	1.8
505.26959	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	480.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74482	1.1
59.01385	12.3
61.98832	100.0
65.76591	1.1
69.48785	2.1
69.49191	7.1
71.01384	3.1
73.02921	1.3
75.44232	1.1
79.36444	1.1
85.02937	3.7
87.00883	18.6
89.02413	1.3
98.15202	1.0
98.19817	1.0
99.00893	8.2
101.02441	4.2
109.02998	1.2
111.00892	1.4
113.02451	5.0
116.35995	1.1
117.01984	2.1
117.03458	2.2
119.05020	1.9
133.02977	3.0
135.04517	4.0
137.02490	1.2
141.01857	1.4
145.02989	8.9
159.02983	2.3
161.02440	6.7
163.04018	1.4
179.03436	2.1
187.03943	1.7
197.38504	1.1
219.05096	4.4
437.17963	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	480.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36778	1.5
58.12559	1.5
59.01381	49.7
60.01729	2.2
61.98833	100.0
69.69881	8.3
70.50269	1.8
71.01383	14.3
72.01748	1.9
72.99338	2.3
73.02946	5.2
74.02471	1.7
75.39438	1.7
85.02948	5.2
89.02438	8.0
98.20691	2.4
99.00853	1.8
101.02439	7.0
109.02946	4.0
113.02442	5.3
117.92892	2.9
118.92634	2.2
119.03445	1.9
128.07237	7.8
131.03499	3.6
133.02977	2.5
135.04538	3.9
137.02466	2.8
139.04051	2.0
145.02966	2.7
161.02425	5.4
161.04631	2.3
179.03474	2.8
222.03378	2.1
258.72104	1.9
269.04468	4.5
436.55231	1.9
445.45618	1.7
480.20721	14.2
481.16666	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	480.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81219	0.9
59.01384	38.7
59.98373	0.9
61.98833	100.0
67.01894	1.8
68.05048	2.2
68.73054	1.0
71.01387	4.6
72.00909	1.0
72.99310	0.9
73.02958	1.5
73.70487	1.0
73.89146	0.8
83.01389	1.9
83.05026	1.5
85.02946	2.0
85.92361	1.0
89.02456	1.4
98.27482	1.0
101.02438	3.2
103.05732	1.0
109.02931	1.4
110.06126	3.3
111.04527	1.4
112.04043	6.3
113.02469	3.0
116.92838	3.5
123.04525	1.9
128.07166	6.6
135.04524	3.0
148.05310	11.6
149.05896	1.4
153.01938	1.1
154.05121	12.4
161.02425	2.6
163.07654	6.9
172.06155	5.2
179.03551	1.0
187.09778	2.0
223.57510	0.9
266.41821	1.0
316.10333	1.5
331.17703	1.5
373.18488	1.1
480.18716	6.9
480.25473	2.3
481.18759	1.1
481.26614	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	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04411	0.2
58.32019	0.3
59.01381	100.0
60.01721	1.0
60.39024	0.2
61.98829	1.1
70.06316	1.3
71.01385	0.7
72.99303	0.6
73.02954	0.3
73.45313	0.3
87.04516	6.1
88.98835	0.3
93.03487	0.4
98.19933	0.4
101.02413	0.3
113.02495	0.6
117.03490	0.6
119.05025	0.5
130.02388	0.3
133.02977	1.0
135.04541	1.3
137.02440	1.6
140.71919	0.3
142.80798	0.3
145.02934	2.0
161.02425	2.8
162.02841	0.4
171.10275	0.5
179.03548	1.0
227.03380	0.4
293.21362	0.3
294.42529	0.3
445.56393	0.3
479.23880	0.8
479.33582	0.4
499.95996	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	480.024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
61.98829	1.7
69.29062	0.7
69.29466	2.7
71.01394	1.9
72.99308	0.6
85.02940	1.2
87.00887	0.6
89.02460	0.8
93.03476	1.2
96.96021	1.0
98.95600	1.9
98.96388	0.4
99.00867	0.6
99.92587	16.3
100.92594	1.0
100.93388	1.1
101.02464	1.1
103.00375	0.7
103.34144	0.3
108.02229	0.3
109.02949	0.5
109.93427	0.4
111.00894	0.3
112.04072	0.3
113.02470	0.6
114.26759	0.3
114.94907	0.7
115.91399	0.3
115.92078	18.7
116.92864	100.0
117.92880	5.6
123.00894	0.4
123.04543	0.4
125.02392	0.5
125.09717	0.8
126.94988	0.4
128.07181	0.6
133.03008	0.4
134.12079	0.3
135.04510	1.4
137.02431	1.6
140.92838	0.6
141.93639	0.9
142.94418	2.4
148.05338	0.6
152.01109	0.5
153.01830	0.4
156.92331	0.9
158.93922	0.9
161.02451	1.0
161.41774	0.3
168.00612	0.6
168.96010	0.5
170.93886	0.4
173.92728	0.3
174.93431	0.7
179.03511	1.2
183.02905	0.4
184.91838	1.8
184.95445	0.7
185.92616	0.6
186.93355	0.7
187.09776	1.4
196.95528	0.4
197.04485	0.6
226.96547	0.9
240.07260	0.3
242.95892	0.7
244.97641	1.2
289.13019	0.5
296.62051	0.3
341.08682	0.4
342.08966	0.4
349.15244	0.5
358.00262	0.7
376.01367	2.2
377.02066	0.4
394.02383	2.8
395.02417	0.4
406.02490	0.4
418.02164	1.8
436.03421	2.8
444.00211	1.3
479.24805	2.9
480.02490	7.0
480.12192	0.7
480.25345	1.5
481.02472	0.9
481.09302	0.6
481.20877	0.9
481.26636	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	480.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44386	0.4
59.01385	0.8
61.98833	100.0
71.01399	0.4
72.00924	0.9
83.67760	0.4
83.68291	0.3
89.02448	0.3
96.00974	0.3
96.69516	0.3
103.92015	0.4
124.04110	0.4
137.02524	0.5
141.30902	0.4
147.04524	2.2
164.07170	6.1
165.01988	0.6
180.04292	0.4
181.04697	0.4
195.06673	0.8
196.07013	1.2
258.48965	0.4
286.85126	0.4
322.06128	1.2
444.04977	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	479.2283
Annotation	CHEBI:67676
Peak:m/z	Relative Intensity
59.01381	9.2
61.98810	1.7
68.99815	4.3
69.12549	0.9
71.01376	3.5
71.01746	0.8
71.62960	1.1
72.99299	1.2
73.02950	1.1
74.02471	3.7
85.02947	2.0
85.55085	0.8
86.80952	0.9
87.05635	1.0
96.04524	1.3
97.04046	1.2
99.00863	1.1
99.05650	2.5
101.02440	2.8
108.04562	1.6
112.04049	1.7
112.07666	2.8
113.02422	0.9
117.03465	29.3
119.05022	16.5
121.02953	1.0
124.04054	2.6
125.04757	1.2
127.05162	1.9
130.03035	1.0
133.02965	2.4
135.04492	2.0
140.07158	1.6
143.05026	23.7
144.05389	1.7
145.02951	100.0
146.03276	3.6
155.08261	3.7
161.02376	3.1
161.06064	1.6
163.04004	10.1
165.06650	2.7
167.89191	0.8
171.10239	2.9
179.03491	1.3
183.07755	7.2
187.04012	45.1
188.04338	2.1
211.13315	1.6
227.06735	17.4
261.05475	21.1
291.18069	2.3
311.22217	2.0
321.09283	1.0
376.37152	1.0
419.20847	6.1
437.21860	3.5
479.22855	47.4
480.23083	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	479.2287
Annotation	CHEBI:67676
Peak:m/z	Relative Intensity
51.01698	0.1
59.01381	6.1
71.01393	0.8
71.66058	0.2
73.02953	0.3
83.01443	0.1
85.02961	0.3
89.04006	0.2
93.03461	0.5
99.00889	0.1
101.02441	0.4
109.02925	0.1
113.02451	0.2
117.03467	28.5
118.03802	1.0
119.05028	7.0
121.02946	0.4
124.06052	0.1
126.03240	0.2
133.02942	0.3
135.04535	0.2
143.05038	0.3
145.02951	100.0
146.03288	4.8
161.02412	0.3
161.06007	0.2
163.04010	7.7
164.04340	0.4
172.05353	0.2
187.04030	0.4
285.18594	0.2
419.20724	5.0
420.21106	0.7
437.21967	0.5
479.22849	31.4
480.23199	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	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52804	0.5
52.24899	0.5
52.45274	0.6
55.01878	1.1
57.03454	2.6
58.00580	1.1
59.01384	38.7
60.01705	0.6
61.98841	3.1
69.03448	0.9
71.01387	20.9
71.05016	2.5
71.62840	0.7
72.99313	3.7
73.02947	5.2
73.18111	0.5
75.00880	0.6
76.95549	0.5
83.01409	2.9
85.02950	7.4
87.00871	4.2
87.04539	1.0
88.98798	0.7
89.02453	11.7
93.03430	0.9
93.10635	0.7
95.01406	2.0
97.02953	0.9
97.06579	1.9
98.95443	0.5
99.00891	2.6
101.02446	14.3
101.06080	3.1
108.02174	0.7
109.02935	2.3
111.00871	0.9
113.02457	7.8
115.07636	2.0
118.98073	1.5
119.03503	4.0
119.04977	0.7
123.08177	0.9
125.02402	0.6
125.06075	0.7
125.09665	0.7
126.85179	0.6
127.07675	0.9
131.03506	0.7
135.04530	1.8
135.08121	0.7
137.02423	1.2
139.07500	0.7
143.03485	0.6
149.00958	2.7
152.01141	1.0
153.01926	2.5
153.09224	0.6
156.90131	0.7
159.03084	0.6
161.04553	2.5
167.03508	0.5
173.11838	4.0
181.05011	0.6
185.11821	1.4
215.05617	1.0
253.18051	1.0
281.06693	1.0
283.02438	0.6
284.25211	0.6
299.18625	1.8
303.18307	1.1
305.16107	1.3
317.15891	1.0
317.19666	24.2
318.20056	2.1
347.17093	33.5
348.17502	3.7
419.19312	1.0
437.20276	1.6
443.15015	1.0
479.11386	2.4
479.24988	100.0
480.25400	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	479.1923
Annotation	Briarlide H
Peak:m/z	Relative Intensity
53.50712	0.5
54.77100	0.5
59.01382	30.0
61.98824	0.8
68.99819	5.5
69.59714	0.5
71.01405	1.6
71.63071	0.6
72.99278	0.6
73.02924	0.7
93.03446	0.5
101.02424	1.9
109.02908	0.6
113.02461	0.8
115.05534	2.4
117.03470	33.7
118.03825	1.6
119.05028	23.7
120.05340	0.6
121.02979	0.6
133.02936	1.5
135.04529	2.2
143.05026	45.6
144.05348	2.6
145.02956	100.0
146.03287	4.9
159.04492	0.7
161.02426	1.9
161.06049	1.4
162.03233	0.6
163.04007	17.4
164.04376	1.1
179.03461	0.9
187.04001	75.2
188.04338	5.0
196.03802	0.6
203.07057	0.6
234.05159	0.5
245.53738	0.5
249.13446	0.9
288.53955	0.4
291.14447	1.3
359.14804	1.7
377.15842	1.0
419.17053	6.1
420.17413	0.6
437.18015	3.0
479.19208	32.6
480.19711	4.0
480.34845	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	479.2285
Annotation	CHEBI:67676
Peak:m/z	Relative Intensity
51.75368	0.4
59.01381	10.3
61.98837	1.2
71.01382	1.1
72.73057	0.4
85.02960	0.4
89.46429	0.4
105.86125	0.4
105.92965	0.5
117.03466	29.1
118.03789	1.2
119.05032	11.1
121.02958	0.9
127.75502	0.4
128.14490	0.4
145.02951	100.0
146.03276	4.8
161.02405	0.9
163.04005	17.5
164.04309	0.8
296.07312	0.4
419.20660	3.1
437.21582	0.5
479.22870	26.0
480.23260	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	479.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.2
61.98810	1.7
68.99815	4.3
69.12549	0.9
71.01376	3.5
71.01746	0.8
71.62960	1.1
72.99299	1.2
73.02950	1.1
74.02471	3.7
85.02947	2.0
85.55085	0.8
86.80952	0.9
87.05635	1.0
96.04524	1.3
97.04046	1.2
99.00863	1.1
99.05650	2.5
101.02440	2.8
108.04562	1.6
112.04049	1.7
112.07666	2.8
113.02422	0.9
117.03465	29.3
119.05022	16.5
121.02953	1.0
124.04054	2.6
125.04757	1.2
127.05162	1.9
130.03035	1.0
133.02965	2.4
135.04492	2.0
140.07158	1.6
143.05026	23.7
144.05389	1.7
145.02951	100.0
146.03276	3.6
155.08261	3.7
161.02376	3.1
161.06064	1.6
163.04004	10.1
165.06650	2.7
167.89191	0.8
171.10239	2.9
179.03491	1.3
183.07755	7.2
187.04012	45.1
188.04338	2.1
211.13315	1.6
227.06735	17.4
261.05475	21.1
291.18069	2.3
311.22217	2.0
321.09283	1.0
376.37152	1.0
419.20847	6.1
437.21860	3.5
479.22855	47.4
480.23083	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	478.2942
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
61.98826	1.0
65.57801	0.6
69.34641	5.7
77.60215	0.6
78.95904	100.0
96.96956	8.8
98.19868	1.0
152.99580	15.4
161.74667	0.7
170.17166	0.6
171.00642	19.2
213.05225	0.6
386.24796	0.9
404.25748	1.6
478.29395	53.9
479.29614	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	479.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81581	0.6
57.03459	1.0
59.01378	12.8
61.98825	1.6
63.59941	0.7
69.91152	3.5
71.01381	9.6
72.99308	88.2
73.02951	1.8
73.99668	0.9
81.15912	0.6
83.01389	1.7
85.02943	3.2
87.00891	1.1
88.98810	1.8
89.02439	3.9
93.03449	9.0
95.01365	1.1
99.00836	0.8
99.04452	0.7
101.02458	5.8
101.25677	0.6
107.05021	2.5
108.02225	1.0
109.02948	2.8
113.02448	3.1
116.92842	0.9
119.03519	0.8
119.14516	0.6
121.02949	1.1
123.04523	31.2
124.04871	0.7
125.02462	0.7
130.60512	0.6
134.03793	3.0
135.04524	57.6
136.04852	3.0
137.02440	15.2
138.02757	0.8
149.02351	0.7
151.03990	3.9
152.01163	1.1
153.01917	1.5
161.02464	0.8
179.03499	52.7
180.03839	2.0
197.04546	100.0
198.04904	5.3
199.13362	1.2
239.05591	1.9
240.61032	0.6
257.17413	1.3
281.06680	14.3
282.07050	1.5
297.28088	0.6
299.18607	2.1
302.92575	0.6
310.16263	0.6
315.07208	0.7
317.06592	0.8
317.16437	1.0
317.19690	4.0
341.08813	2.4
359.09814	59.5
360.10138	4.0
388.81464	0.6
419.22919	3.2
437.23972	1.7
471.99597	0.6
479.11932	76.6
479.25006	37.0
480.12213	13.8
480.25330	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	479.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01933	2.1
57.03225	0.6
57.03501	2.4
58.00638	1.2
59.01116	1.3
59.01385	24.1
61.98866	0.9
70.95029	0.8
70.95371	1.2
71.01025	1.2
71.01385	22.2
72.99378	4.4
73.02942	8.0
75.00910	1.3
76.54508	0.7
83.01393	5.5
85.02954	11.3
86.00145	0.8
87.00880	9.4
89.02457	8.0
93.03496	1.2
95.01447	1.5
99.00907	3.5
101.02444	20.4
101.06178	0.9
103.00448	1.0
108.02180	6.3
109.02964	4.2
111.00968	0.9
112.98893	1.2
113.02444	9.4
115.07703	0.7
119.03564	2.3
119.05094	1.1
120.04617	0.7
121.05400	0.9
122.06219	2.2
123.04556	0.9
124.07766	2.0
130.99887	0.9
135.04518	3.3
137.02515	2.2
148.04025	4.1
149.00912	10.8
149.02002	0.7
149.04597	0.7
150.05685	1.9
152.01144	8.6
153.01990	3.5
153.05687	1.8
159.03017	1.4
161.04570	3.5
163.04105	1.6
166.05229	0.7
167.10852	0.8
173.11900	1.0
181.05049	3.3
202.15544	0.6
227.11940	3.0
239.25745	0.7
240.09073	0.7
255.11536	1.9
272.55396	0.9
273.12457	4.1
281.06625	1.0
297.06110	0.9
299.10349	1.6
299.18597	0.7
303.18134	2.3
316.10791	1.4
317.11539	6.0
317.14877	0.9
317.16098	1.0
317.19604	6.7
347.17099	100.0
348.17505	10.4
435.12912	1.0
479.11487	14.3
479.17465	4.7
479.24829	27.1
480.11832	1.3
480.18430	0.8
480.25171	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	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
57.03452	1.4
59.01381	100.0
60.01715	2.5
61.98830	10.0
67.05505	1.6
71.01383	40.9
71.64779	1.9
72.99303	9.3
73.02953	8.3
73.03299	1.4
75.00881	9.0
83.01399	4.8
85.02951	15.1
87.00870	2.9
89.02440	14.4
93.03462	1.6
95.01393	3.2
95.95525	1.4
99.00878	7.6
101.02442	30.7
103.26989	1.3
103.77046	1.4
108.02172	2.8
109.02975	1.6
113.02454	17.1
119.03542	6.5
119.05006	1.8
122.47575	1.5
125.02467	2.0
129.02011	1.3
133.02974	2.4
135.04517	7.6
137.02457	2.6
143.03488	3.1
145.02988	3.5
152.01115	1.8
157.06120	1.6
159.02985	4.2
160.04056	1.6
161.02437	5.8
161.04558	27.3
163.04001	1.7
166.05087	6.6
179.03546	4.1
179.05556	3.2
196.69562	1.4
267.06949	3.8
310.39053	1.7
323.06430	2.3
417.24957	67.7
418.25101	9.1
477.24399	2.0
477.30939	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	478.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98830	100.0
65.47452	0.4
71.01402	0.5
71.62159	0.5
75.00877	1.1
96.96014	0.8
99.92624	0.4
103.91959	0.4
106.18134	0.4
109.02929	0.5
113.02485	0.4
116.92904	1.0
124.85834	0.4
125.02449	1.1
137.02444	0.8
153.01918	0.6
153.37331	0.3
182.26485	0.4
203.51253	0.4
222.94571	0.4
285.04138	0.5
303.05148	0.7
358.38834	0.4
402.72891	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	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57576	1.2
59.01381	28.8
60.01700	1.6
61.98833	100.0
69.40738	6.2
69.41145	2.8
71.01385	6.1
72.99303	2.8
73.02953	4.6
77.23604	0.9
78.95895	1.3
83.01398	1.9
85.02972	1.8
93.03469	1.7
94.85330	0.9
97.46224	1.0
98.47810	0.9
99.00892	0.9
101.02459	5.6
109.02962	1.0
113.02448	2.1
115.83587	0.9
117.03465	15.9
118.03819	6.4
119.05041	5.9
120.05347	1.0
121.02928	1.3
133.02991	1.4
134.06123	4.4
135.04585	5.9
135.06470	1.5
137.02396	1.7
145.02963	46.3
146.03291	19.2
152.07205	1.2
161.02440	4.4
163.03999	4.4
167.10782	88.5
168.11090	6.8
178.62086	1.0
179.03496	2.8
197.00726	1.0
225.11296	1.6
262.97025	0.9
283.06476	1.4
418.18710	9.2
419.18500	1.4
435.16959	1.6
478.21802	15.7
479.20633	1.3
479.31793	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	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.0
61.98832	100.0
69.59618	1.6
69.60027	2.8
71.01389	4.2
73.02956	9.0
78.56549	0.6
83.01403	2.1
84.85786	0.5
91.93024	0.6
97.02956	0.6
101.02441	4.6
113.02470	1.4
117.03452	0.6
117.19775	0.6
125.02476	0.6
135.04541	1.3
143.03502	0.7
145.02930	1.6
155.03503	0.8
161.02451	1.7
167.10771	12.1
168.11063	0.7
171.10327	0.8
179.03676	0.7
180.40720	0.6
181.12512	1.2
191.10764	3.5
203.05647	0.9
209.11880	2.4
221.11935	1.0
255.29240	0.7
258.45355	0.8
479.18985	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	477.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33386	1.3
55.25131	1.3
59.01375	15.4
60.99309	11.6
61.98830	4.2
71.01374	6.1
83.01361	1.8
85.02946	1.5
87.00885	2.1
88.98806	100.0
89.02425	8.4
93.03415	1.2
95.05020	1.5
98.20627	3.3
101.02424	5.7
109.03025	1.2
109.06564	2.2
113.02399	2.8
119.03494	3.8
123.32610	1.1
128.07825	1.6
135.04550	1.5
137.02464	3.4
160.17435	1.3
165.09229	3.6
176.89906	1.2
179.05553	2.6
254.87091	1.4
345.15503	5.9
387.16440	6.3
440.92502	1.3
477.12390	1.5
477.18475	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	477.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45775	0.4
54.29115	0.3
55.01877	0.5
59.01379	100.0
60.01717	1.3
61.98834	1.3
65.02612	0.3
71.01385	4.0
71.64140	0.4
72.82909	0.3
72.99329	0.5
73.02958	1.4
75.43432	0.3
78.95926	1.0
83.01383	0.7
85.02952	2.3
87.00932	0.4
93.03515	0.4
97.02975	0.6
97.06615	0.4
99.00883	0.9
101.02438	2.7
108.02193	0.8
110.98550	0.7
111.08173	1.4
113.02469	1.6
117.03535	0.6
119.05016	0.6
121.02963	4.8
133.02960	2.9
133.50887	0.3
135.04529	3.3
137.02467	0.9
145.02995	1.2
149.02536	0.5
150.03191	0.5
161.02446	8.0
161.04492	2.0
162.02832	0.7
167.01234	0.4
169.12383	0.4
171.10309	0.5
179.03482	2.1
185.02272	0.6
197.11823	5.8
199.23868	0.4
211.13371	0.8
213.95183	0.3
225.14949	0.8
238.18068	0.4
252.88573	0.4
263.20212	0.5
291.19656	2.0
309.20691	5.3
310.21167	0.6
334.51965	0.4
435.20541	1.1
477.22708	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	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34069	0.6
59.01382	100.0
60.01720	1.3
61.46955	0.6
61.98834	4.6
63.81546	0.6
64.43592	0.6
71.01380	1.8
72.99319	0.8
78.95899	1.5
85.02966	1.0
87.04521	10.7
87.40763	0.7
89.53882	0.6
93.03487	1.7
99.00829	0.6
101.02472	0.8
110.98591	0.8
117.03479	8.6
119.05067	3.4
121.02954	0.8
123.04538	1.0
127.97417	0.6
133.02980	2.3
135.04536	8.1
136.04890	1.0
137.02487	3.1
138.02805	0.6
145.02960	27.7
146.03337	1.2
149.02431	1.1
150.03209	0.7
152.99541	0.8
161.02435	9.0
162.02800	1.8
163.04002	3.8
165.07533	0.6
179.03517	3.4
214.01791	0.6
291.19681	1.0
297.24200	0.8
309.20840	2.4
350.34216	0.6
389.10571	0.9
422.98117	0.6
441.32983	0.9
458.33661	0.9
459.34320	2.0
469.49637	0.6
476.35016	1.9
477.21545	10.3
477.30029	1.4
477.35114	3.4
478.22281	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	477.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
58.00597	4.1
59.01384	69.8
60.01722	1.3
61.98825	4.2
63.39329	0.7
69.03456	8.4
71.01387	82.4
71.64024	1.1
72.01714	1.2
72.99316	4.5
73.02946	11.1
75.00861	3.8
76.07074	0.6
81.03471	4.2
83.01387	5.0
85.02953	8.7
87.00879	3.2
89.02449	100.0
90.02785	1.4
95.01384	2.5
97.02959	12.5
99.00883	17.4
99.04558	1.5
101.02451	16.5
109.02958	1.7
110.00118	2.2
111.00890	2.8
113.02452	10.3
115.04014	7.2
116.92852	1.2
119.03516	3.1
123.00971	0.8
125.02454	57.8
126.02765	1.2
127.04004	1.6
131.02614	1.2
131.03511	11.3
135.04529	1.0
137.02496	1.4
137.99568	3.4
143.03511	5.0
147.52681	0.8
149.04556	14.6
151.96579	0.9
153.01942	40.6
154.02440	2.1
161.04529	3.7
168.04289	26.2
173.04568	1.2
181.08707	1.6
183.06624	5.1
184.52728	0.7
191.05617	9.5
192.05864	0.9
233.06664	43.7
234.06961	1.3
264.18079	0.8
278.76093	0.8
293.08798	39.2
294.09253	2.3
300.99570	0.9
344.72113	0.8
345.15607	8.1
477.16455	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	477.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
57.03446	2.1
59.01379	100.0
61.98832	7.8
69.03458	1.9
69.37378	10.1
71.01383	36.1
72.01725	0.9
72.99297	2.6
73.02947	21.4
74.02477	3.0
75.00867	2.8
79.78845	1.0
83.01388	7.9
83.05045	1.1
85.02948	9.7
87.00867	4.5
89.02444	7.8
93.03458	44.0
95.01390	3.8
96.99313	1.6
97.02969	1.7
98.19832	2.0
99.00883	2.7
99.08132	1.5
101.02441	26.8
102.02817	1.3
103.98289	1.0
107.05072	1.1
108.02156	8.4
109.03001	5.1
109.34634	1.0
111.08182	2.4
113.02451	14.0
115.04040	1.5
116.92854	3.3
117.03520	1.6
119.03497	2.5
119.05032	5.9
119.93050	1.0
121.02950	5.7
122.06110	1.7
123.00887	1.6
123.04516	6.8
124.01625	4.3
125.02464	6.7
128.30444	0.9
133.02956	4.5
134.03716	2.0
135.04530	23.8
136.01659	4.4
136.05305	7.7
137.02443	90.9
138.02786	3.1
139.03992	7.7
139.11249	1.4
145.02959	7.4
146.03258	1.2
147.04530	2.2
148.73518	1.1
149.99585	3.3
151.04002	6.6
151.07610	4.5
152.01158	4.8
152.07108	1.3
153.01970	5.3
155.07120	1.3
155.10742	1.4
160.01614	2.5
161.02443	9.9
161.04523	2.2
163.03954	2.2
165.12886	2.4
167.03491	2.3
168.00642	6.9
175.03998	3.4
177.01894	1.1
177.05519	2.3
179.03502	2.4
183.13922	1.9
185.11821	4.5
193.15961	3.0
195.06602	53.6
196.06955	3.7
197.04515	1.3
237.14941	5.6
255.15987	13.0
262.50269	1.1
273.17065	3.4
281.06659	93.4
282.06973	6.6
286.03693	1.5
301.06335	1.6
307.07883	1.2
309.08768	1.1
315.07974	0.9
316.21323	1.6
331.06644	2.4
337.09265	3.4
417.21268	4.1
417.25766	1.5
435.21805	6.7
459.13275	4.7
459.21899	1.1
477.13928	96.8
477.23337	85.7
477.29889	3.6
478.14468	13.4
478.24268	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	477.1413
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
50.09056	0.3
55.01891	0.3
57.03437	0.4
58.32049	0.3
59.01382	10.6
60.01704	0.9
61.01811	0.5
61.98835	1.7
69.03460	0.3
69.53274	1.5
69.53680	0.7
70.77921	0.3
71.01381	4.5
72.01708	0.6
72.99319	0.4
73.02954	1.3
74.02491	1.0
83.01403	0.8
85.02948	1.6
87.00874	0.7
89.02448	1.7
93.03471	0.6
95.01393	0.4
95.03188	0.3
95.05040	0.6
101.02438	2.8
102.02803	0.6
105.03462	0.5
108.02188	0.6
109.01399	0.3
109.02952	1.3
113.02434	1.9
116.92903	0.4
117.03472	0.9
118.03812	0.3
119.03511	0.4
121.02995	0.4
122.03758	0.7
123.04528	45.2
124.01678	0.3
124.04859	1.9
128.71466	0.3
132.02164	1.4
133.02957	27.4
134.03674	1.1
135.04529	17.7
136.04875	1.1
137.02438	1.1
145.02956	1.1
147.04510	0.4
149.06079	0.7
151.00410	0.4
152.01126	0.4
153.01974	0.8
153.05576	41.8
154.05934	1.6
161.02448	100.0
162.02802	5.5
163.03966	0.4
175.04030	0.7
177.05573	2.0
179.03508	9.4
180.03882	0.4
203.03619	0.8
221.04518	2.8
251.05516	0.4
255.15958	0.4
260.40967	0.4
263.05566	0.6
281.06735	0.5
297.06143	0.5
315.10727	2.2
323.07715	31.6
324.08142	2.6
416.23761	0.8
417.24335	0.7
434.25058	0.9
435.25058	0.6
457.87924	0.3
477.14063	31.5
478.14359	4.4
478.26517	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	477.1044
Annotation	Dihydrokaempferide 3-glucuronide
Peak:m/z	Relative Intensity
55.01859	0.9
57.03445	1.5
59.01380	34.0
60.01702	1.7
61.01791	1.2
61.98835	6.0
69.03439	3.4
71.01381	13.0
71.64371	1.0
72.99301	2.5
73.02933	3.0
74.02467	1.5
75.00859	2.9
79.24469	0.7
81.03452	1.4
83.01392	2.2
85.02116	0.7
85.02952	10.4
86.03274	1.8
87.00867	2.2
89.02422	5.3
89.81895	0.8
93.03490	1.4
95.01387	4.5
97.02952	2.4
97.88401	0.8
99.00859	2.8
101.02447	6.0
103.00332	0.9
107.01364	2.0
108.02165	4.8
109.02995	4.0
113.02440	14.7
114.02761	2.9
115.02879	2.4
116.92849	3.0
117.03459	3.9
119.03494	1.9
119.05032	6.0
121.02912	2.3
123.00886	8.9
123.04542	1.7
124.01666	19.3
125.02444	42.4
133.02925	2.4
134.03798	0.9
135.04530	4.0
137.02469	5.2
139.04016	2.2
145.02954	21.7
146.03304	2.0
149.99590	35.6
151.00241	3.6
152.01138	6.0
153.01910	3.3
160.01738	0.8
161.02457	6.0
161.04543	1.7
163.04025	5.7
167.03467	2.4
168.00642	68.9
169.01419	5.8
175.02486	1.8
175.03896	0.9
177.02988	1.3
179.03485	1.9
220.24332	0.9
228.04305	0.8
237.14955	1.2
255.15802	0.9
269.04480	1.1
284.03201	9.8
285.03622	9.1
286.03821	13.9
295.10199	0.9
299.05582	6.1
300.05905	7.0
301.00113	0.8
301.06186	12.1
307.07889	1.6
313.05621	3.5
315.07193	3.6
331.06726	20.1
332.06790	1.5
337.09052	1.7
417.20828	6.3
435.21866	4.3
459.09497	1.4
477.10330	100.0
477.23053	12.5
478.10641	16.5
478.25989	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	477.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.5
61.98835	7.3
69.03443	1.1
69.43017	3.4
69.43445	2.7
71.01386	9.7
72.99319	2.1
73.02979	1.6
74.02462	0.9
74.42834	0.8
81.03465	0.9
83.01405	1.3
85.02969	4.2
87.00890	0.8
89.01954	0.9
89.02447	4.9
89.88474	0.7
95.01404	1.5
96.96004	1.7
99.00877	0.9
101.02474	5.6
108.02183	53.6
109.02973	16.7
113.02448	3.9
116.92751	0.9
117.05597	2.2
119.03489	0.8
121.02954	1.0
123.04508	3.0
125.02410	1.1
135.04546	2.2
137.02522	0.9
143.04588	0.8
145.02951	0.8
147.04552	1.1
151.04025	1.9
152.01160	87.2
152.26196	0.7
153.01958	25.2
153.05551	2.0
154.02298	1.5
161.04588	1.8
163.03975	4.2
164.07158	2.7
177.01907	1.9
177.03340	0.8
179.03510	1.7
179.05592	0.8
195.03062	3.8
197.04523	0.9
233.06313	0.8
255.05191	1.7
293.08832	2.2
315.07236	17.1
316.07565	1.7
383.32083	0.9
477.12515	100.0
478.12866	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	477.1037
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
59.01372	10.6
61.98812	6.5
67.50983	1.3
69.64880	10.7
71.01372	4.9
73.65353	1.3
79.34711	1.3
81.03428	1.8
81.36403	1.3
85.02946	1.7
89.02467	2.2
96.96007	12.7
101.02471	2.8
108.02174	37.8
109.02954	27.5
113.02449	3.8
123.04501	1.8
133.02946	23.7
135.00858	3.5
135.04517	12.9
152.01154	61.3
153.01945	30.7
161.02446	53.5
162.02818	2.2
167.03459	6.3
179.03490	5.9
181.77725	1.4
246.08217	1.7
315.07224	48.6
316.07452	4.3
366.68845	1.5
433.11349	4.2
477.10339	100.0
477.24469	7.9
478.10519	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	477.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03444	1.0
57.67681	0.6
58.00585	0.7
59.01383	34.0
60.01716	1.1
61.98834	3.2
69.03454	0.9
69.56042	4.0
71.01385	11.4
72.01716	0.5
72.99306	1.8
73.02950	4.2
80.93192	0.6
83.01382	1.7
83.04993	0.7
85.02962	6.0
87.00877	2.1
88.84696	0.5
89.02458	5.5
93.03454	1.7
94.98083	0.7
95.01391	2.2
95.96163	0.6
96.96024	7.0
97.06552	0.5
99.00859	1.3
101.02445	7.9
104.66670	0.6
108.02180	45.4
109.02970	28.4
110.03307	0.9
113.02440	4.6
114.93394	1.7
117.03427	0.9
118.98066	1.6
119.03513	2.4
121.02952	1.9
123.00886	1.2
123.04533	3.6
125.02433	1.8
125.06003	0.6
129.01941	0.6
132.02180	1.9
133.02960	23.3
134.03436	1.0
135.00934	1.0
135.04520	12.5
136.04834	0.8
137.02432	1.8
137.09648	0.6
145.02930	1.2
149.02431	0.5
151.00377	0.7
151.03990	1.6
152.01160	63.3
153.01945	29.3
154.02257	1.3
159.02899	0.5
160.03848	0.6
161.02449	62.0
161.04587	2.0
162.02829	3.4
163.03992	1.8
165.01921	1.7
166.05099	1.4
169.01448	1.7
175.03960	0.6
177.01973	0.7
177.05576	0.9
179.03487	6.4
180.03836	0.7
187.00380	0.6
195.02965	1.1
197.04472	1.0
201.05356	0.7
210.04088	1.3
221.04572	1.3
255.02876	1.3
257.04364	1.4
271.19135	2.5
283.02371	1.1
285.04071	3.4
297.17044	1.1
301.03543	2.0
302.03790	0.6
315.07205	43.3
316.07617	3.3
323.07770	5.0
329.46448	0.5
331.06790	0.9
357.19257	0.5
416.23688	0.6
433.11301	4.5
433.24249	0.7
434.11517	0.6
477.10376	100.0
477.23392	23.2
478.10669	13.6
478.23975	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92212	0.3
59.01377	0.6
62.16690	0.4
67.96411	0.4
69.30930	3.1
69.31337	0.9
69.91165	0.3
78.95903	8.8
88.14912	0.3
91.04379	0.4
95.83401	0.5
100.11088	0.4
112.99633	0.5
131.55042	0.4
140.01161	2.3
144.66095	0.4
152.99600	1.0
171.00600	0.7
190.95892	0.4
196.03770	0.8
213.09712	0.4
214.04890	3.6
279.23282	100.0
280.23639	9.4
349.16916	0.4
476.27866	9.5
477.28366	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96357	0.3
63.85714	0.3
70.54851	0.3
70.57887	1.3
76.04062	0.3
78.95903	100.0
96.96958	7.2
108.25929	0.3
140.01172	0.7
140.89720	0.3
152.99591	17.7
171.00639	19.4
214.04791	0.4
215.02386	0.3
228.49821	0.3
254.82707	0.3
279.23279	2.0
402.24207	1.9
476.27795	58.5
477.28165	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31160	4.3
75.12436	0.4
75.72900	0.4
78.95905	34.0
84.15485	0.4
93.30267	0.4
96.96945	1.3
98.20580	0.8
111.74939	0.5
122.00146	0.9
140.01205	6.1
152.99590	4.0
171.00670	3.3
194.87630	0.4
196.03790	11.0
204.44048	0.4
212.24091	0.4
214.04895	3.1
279.23276	100.0
280.23633	10.8
401.87747	0.5
476.27811	35.2
477.28162	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.2
57.03453	1.8
58.00599	1.3
59.01382	100.0
60.01713	1.0
61.98817	0.7
68.88730	0.4
69.03458	0.7
69.41891	3.0
70.02307	0.3
71.01385	32.8
71.05019	0.8
72.01736	0.6
72.99322	1.4
73.02543	0.7
73.02950	12.2
75.00877	0.5
81.03458	2.4
83.01388	4.0
84.02175	0.5
85.02955	11.8
86.03293	0.4
87.00875	2.8
87.04523	2.5
89.02453	13.7
95.01392	2.6
97.02976	0.9
98.20658	0.8
99.00881	2.7
99.04520	2.4
101.02446	22.2
102.02827	0.4
107.60840	0.3
111.00911	1.8
113.02449	14.5
117.03462	5.8
119.03507	5.6
119.05029	1.0
121.02997	0.4
122.03757	1.5
123.04537	2.1
125.02465	1.0
127.07682	0.5
131.03499	0.7
133.02977	0.8
135.04559	0.9
141.01932	0.4
143.03534	2.7
145.02951	18.8
146.03302	1.0
149.04541	0.7
151.04010	0.5
153.05621	0.7
155.10796	1.2
159.03044	1.6
161.02527	2.1
161.04547	9.8
163.04037	1.2
171.13992	0.4
179.03400	0.4
179.05626	2.6
192.03032	0.8
213.14987	1.0
224.05679	0.8
253.18283	0.7
270.79160	0.4
271.19174	2.1
297.17334	0.5
307.08115	2.2
315.18106	6.9
333.19269	1.0
379.21454	0.8
397.22345	6.1
398.22726	0.6
415.23383	21.5
416.23758	2.6
422.13525	0.4
431.13516	7.1
432.13840	1.1
433.24414	27.1
434.24677	3.3
475.12564	2.6
475.20380	0.4
475.26135	1.1
476.25269	0.7
501.63901	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	476.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	8.8
59.01381	1.8
61.98824	4.2
65.54427	0.6
70.02915	0.7
71.01389	1.4
71.09919	1.3
74.02476	23.9
85.04076	0.8
87.05652	1.1
89.02418	1.5
90.00237	0.8
91.79666	0.8
96.96001	1.5
97.04075	1.4
99.05648	15.3
109.02997	1.1
112.04047	17.5
113.03587	0.9
113.04344	0.8
123.04556	1.1
123.05637	1.4
125.02433	0.8
125.29179	0.7
125.92480	0.7
131.04619	4.0
143.04625	55.8
144.04993	1.0
153.01965	1.3
161.04585	0.8
167.04614	1.4
169.06178	0.7
171.62325	0.6
177.03391	100.0
178.03697	3.3
201.03413	1.4
293.01654	0.8
293.08862	0.9
298.09418	1.2
314.08157	4.6
317.37183	0.8
356.09268	8.8
386.10278	3.5
476.13470	39.4
477.13794	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	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03449	1.4
57.81158	0.5
58.00592	0.9
59.01381	100.0
60.01729	0.7
61.98824	3.5
69.03459	1.1
71.01385	31.2
71.62722	0.6
72.99327	2.4
73.02948	14.4
75.00874	0.9
81.03479	1.0
83.01392	5.4
83.05021	1.1
84.02216	0.8
85.02953	9.4
87.00882	2.8
87.04527	0.5
89.02445	17.3
90.02805	0.8
94.98083	1.0
95.01413	2.3
97.02972	1.1
99.00889	2.0
101.02452	20.3
102.02821	0.8
107.88715	0.6
108.02201	2.1
109.02973	3.7
111.00908	1.0
113.02446	17.2
114.02763	0.7
115.00344	0.8
115.04051	0.6
119.03500	8.7
119.04951	0.9
123.04487	0.7
125.02435	0.9
131.03516	2.1
133.02972	3.3
134.03770	0.9
135.04530	6.7
137.02538	0.7
143.03540	2.8
145.03018	1.3
145.05106	0.9
147.04561	0.8
147.11792	0.9
149.04594	1.4
151.04036	0.8
152.01193	2.2
153.01974	1.4
159.03069	0.9
159.04552	1.0
159.06746	0.8
161.02472	7.5
161.04555	8.6
177.01891	4.8
179.03532	1.7
179.05602	3.2
197.04688	1.1
225.02335	1.4
227.03632	0.7
229.01463	0.8
253.14725	1.1
253.18044	0.6
267.06744	0.7
269.08423	0.7
283.05045	0.6
301.16757	0.8
313.07269	2.0
329.16403	0.6
339.07324	1.3
379.21234	1.2
415.23605	7.5
416.23859	0.8
433.24844	5.7
434.25272	0.9
457.20758	0.7
475.09003	2.8
475.21643	10.1
476.22339	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	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03442	1.1
58.00602	1.5
59.01380	100.0
60.01711	0.9
61.98830	2.8
71.01383	29.9
71.05018	0.7
72.99325	2.7
73.02951	12.6
74.02470	2.2
75.00912	1.0
76.71160	0.7
81.03480	2.0
83.01399	3.7
85.02946	8.7
85.03361	0.8
87.00869	3.5
87.04533	1.4
89.02448	17.5
93.03465	6.6
95.01410	2.1
97.02977	1.0
98.19783	1.0
99.00877	2.3
99.04499	1.2
101.02442	20.1
102.21243	0.7
107.05097	0.9
109.02995	1.6
111.00910	2.0
113.02451	14.0
117.03464	6.0
119.03527	6.0
119.05068	1.9
120.04625	0.9
122.03768	1.9
123.04514	5.2
125.02482	1.8
131.03526	1.4
133.02951	6.5
135.04533	11.1
137.02449	13.6
141.67528	0.8
143.03545	3.1
145.02951	18.8
148.04085	1.6
149.04585	1.1
151.04091	1.3
153.05629	2.7
159.03069	1.1
161.02472	12.3
161.04558	8.8
161.05869	1.0
163.04005	0.8
164.03621	1.1
167.03584	1.0
179.03511	2.9
179.05621	3.6
192.03006	6.3
197.04593	1.8
224.05626	3.9
271.19220	1.9
283.38577	0.7
295.04727	1.9
303.14691	0.9
307.08438	2.0
315.18274	2.6
318.08542	0.8
321.06223	1.4
323.07776	1.3
370.95923	0.6
397.22397	2.6
415.23398	12.5
416.24011	1.4
431.13629	8.5
433.24487	12.0
434.24951	1.4
475.13467	6.2
475.21362	1.4
476.14764	0.8
476.25192	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24125	0.6
59.01380	100.0
60.01719	1.3
61.98848	0.6
71.01377	1.3
80.60981	0.5
85.02988	0.6
98.20657	0.8
101.02450	1.4
113.02494	1.0
118.98061	0.6
123.71889	0.5
135.04555	0.7
145.02963	0.6
157.26860	0.5
160.76337	0.5
161.02464	1.5
311.67200	0.6
350.04037	0.6
373.22290	0.9
415.23569	2.1
475.25439	4.0
476.25998	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69674	0.4
59.01379	100.0
60.01721	1.2
65.65208	0.4
69.66105	2.6
71.01389	1.2
73.02959	0.4
85.02950	0.5
92.99477	0.4
101.02431	0.9
113.02452	0.4
116.92857	0.5
122.58601	0.4
145.02992	1.1
161.04585	0.5
191.14998	0.4
204.26257	0.4
338.74628	0.4
355.21475	0.7
373.22391	1.6
410.37326	0.4
415.23544	1.5
440.13748	0.7
475.25314	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
57.03480	1.0
58.00617	1.0
59.01384	100.0
60.01717	0.9
61.98841	0.9
69.03475	0.8
71.01388	25.3
71.11523	1.1
72.99335	1.9
73.02948	12.7
75.00865	0.7
75.71793	0.5
82.46994	0.5
83.01390	3.7
83.05025	0.8
85.02957	8.8
87.00893	1.8
87.04525	1.5
89.02453	16.9
89.02989	1.1
90.02838	0.5
95.01398	1.7
97.06604	0.6
98.98056	0.6
99.00898	1.8
101.02443	19.2
113.02451	14.2
114.02806	0.7
119.03512	6.6
123.04548	0.9
125.02489	0.9
131.03552	2.5
133.02994	0.8
135.04523	2.8
137.02434	0.9
143.03505	2.5
147.11861	0.7
148.05373	0.7
149.04536	1.0
159.06693	0.8
161.02490	2.8
161.04562	8.5
178.05040	0.8
179.03477	0.8
179.04152	0.6
179.05630	5.2
271.19235	1.4
313.12772	2.2
319.17447	0.8
329.16290	1.6
347.17227	1.1
397.22440	1.1
415.23398	11.1
416.23831	2.1
433.24533	12.7
434.24908	2.2
475.12100	0.7
475.21512	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01381	44.8
59.18481	0.7
60.99301	2.0
67.01900	0.9
69.03460	5.0
69.66310	5.0
71.01384	10.1
72.99313	1.8
73.02959	1.9
73.81967	0.8
75.00890	1.2
81.03461	14.1
83.01363	1.3
83.05028	19.2
85.02954	6.4
87.00880	2.9
88.98804	15.6
89.02451	13.7
91.04034	0.8
93.03461	4.0
95.01402	1.4
95.05029	31.9
97.02943	0.7
98.19893	1.4
101.02432	12.3
105.01922	3.5
107.05020	0.9
109.02924	1.4
109.06586	19.3
111.00985	0.9
113.02462	5.1
119.03511	2.4
119.04937	0.9
123.04536	5.6
127.03983	1.0
133.03029	0.9
133.06535	1.0
134.03694	0.8
135.04520	3.4
135.08177	10.0
141.05653	3.9
143.03522	0.8
147.04529	1.4
149.06100	1.5
157.06615	1.0
159.08157	6.0
161.02498	1.4
161.04520	3.2
161.06055	3.3
175.07629	6.4
177.09215	91.6
178.09529	5.0
179.03481	0.8
179.05576	1.3
179.07106	1.9
193.00952	0.7
195.10246	1.8
221.08191	25.6
222.08459	1.3
239.09283	2.5
253.09248	8.5
269.08087	0.8
315.97574	0.8
415.23230	0.9
433.24628	1.1
475.18192	100.0
476.18466	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	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39312	0.3
59.01379	100.0
60.01714	1.1
69.82674	1.1
69.83082	0.5
71.01404	0.8
73.02937	0.6
76.70128	0.2
85.02971	0.6
89.02438	0.4
93.03464	0.7
97.29628	0.2
101.02431	0.7
104.18425	0.3
117.03465	0.4
123.34799	0.2
128.90695	0.3
134.03738	2.8
135.04526	0.3
137.02438	1.6
145.02977	1.2
149.06097	1.1
161.02438	0.8
178.02754	1.5
193.05051	2.7
281.06644	1.9
292.84354	0.3
373.22571	0.4
415.23178	0.5
475.12311	2.2
475.21722	0.5
476.12888	0.5
491.71066	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01724	0.8
69.36245	2.4
71.01385	0.8
73.02950	0.5
85.02961	0.5
95.01387	0.2
98.19868	0.4
99.00878	0.3
101.02452	0.7
101.19787	0.2
113.02441	0.6
119.05043	0.5
123.04604	0.5
123.84088	0.2
133.02963	4.7
135.04564	0.9
137.02477	0.7
150.82523	0.3
151.03979	1.3
159.04559	0.3
161.02443	17.8
162.02805	0.9
165.82620	0.2
193.05133	0.5
267.06696	1.1
281.06555	0.2
311.05594	3.2
312.06082	0.5
313.07092	3.6
313.10297	0.3
373.22220	0.4
383.12601	0.3
415.23587	1.0
433.24701	0.4
475.11398	0.7
475.25629	1.4
475.31519	0.3
476.25635	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	475.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57825	1.2
59.01370	5.5
59.29728	1.0
61.98818	6.4
65.39610	1.2
71.01376	6.3
71.61877	1.5
72.99309	3.5
89.02454	2.7
96.95989	1.9
99.92570	2.3
101.02454	1.8
113.02428	2.2
115.00391	1.6
116.92856	13.6
119.03452	1.2
121.02960	100.0
122.03302	3.0
123.00889	3.2
125.02540	1.5
125.06074	1.3
135.04538	1.8
138.03242	3.4
147.04553	2.2
151.04013	2.0
153.05627	2.7
166.99815	1.7
182.02190	6.8
197.04565	17.0
274.08932	1.3
284.71466	1.5
293.08771	2.7
359.09906	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	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01382	48.7
61.98822	1.5
70.09422	0.7
71.01386	5.5
71.66327	0.7
72.99297	1.7
73.02952	1.4
75.00884	1.1
78.61999	0.7
81.03449	2.5
83.05022	2.1
85.02952	2.6
87.00871	4.6
89.02469	4.0
93.03457	10.5
94.03838	0.7
95.05022	4.2
96.96038	4.0
99.04565	1.0
99.92586	1.2
101.02461	5.1
106.52023	0.6
108.02174	1.2
109.02950	4.2
109.06570	1.9
110.01293	0.6
113.02473	2.2
115.92065	1.3
116.92863	8.7
119.03528	1.0
121.02969	1.3
123.04538	2.1
125.02456	1.2
133.02986	2.1
135.04549	4.2
135.08148	1.6
137.02444	26.9
138.02803	1.2
145.02927	2.0
146.03749	36.5
147.04572	5.8
149.06119	0.8
151.04007	1.5
152.01218	0.7
153.01942	1.8
159.03000	0.7
159.04446	1.1
159.08211	1.0
161.02470	3.5
161.04576	3.7
161.06078	10.5
162.06364	1.1
163.04028	1.3
164.03427	1.4
164.04793	25.8
165.05058	1.0
166.02708	1.6
175.07632	1.2
177.02013	1.1
177.09213	10.5
178.09622	0.8
179.03664	2.1
179.07138	100.0
180.07458	5.1
181.05086	2.0
185.62576	0.7
221.08240	3.7
227.50978	0.7
253.09233	1.3
254.05655	0.7
269.08206	3.2
313.07111	2.3
339.05222	1.1
343.14056	2.1
385.07877	5.9
386.07806	1.0
415.15851	1.1
475.18542	9.6
476.18506	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	475.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39954	0.3
55.01898	0.3
55.78085	0.3
57.03450	0.7
59.01381	100.0
60.01716	10.2
61.01807	7.1
61.98840	0.8
65.72276	0.3
68.28372	0.3
71.01389	5.5
71.66109	0.3
71.66479	0.4
72.99335	0.6
73.02955	1.2
74.02489	0.3
75.00878	0.8
83.01397	0.7
85.02955	5.5
87.00890	1.2
89.02435	1.7
93.03455	5.8
93.03996	0.5
95.01397	1.3
96.99386	0.3
97.59206	0.4
99.00893	1.6
101.02454	2.2
103.00379	0.5
108.02197	0.5
109.02938	0.4
113.02445	8.5
114.02702	0.4
117.01954	0.5
117.41792	0.3
119.03500	0.8
121.02993	0.6
122.03690	0.3
129.02010	0.3
133.02974	0.6
134.03735	8.2
135.04573	0.7
136.04907	0.3
137.02443	8.8
137.03467	0.6
138.02785	0.5
139.04012	0.4
147.04501	0.4
149.06067	3.5
161.02477	1.3
161.04620	0.8
167.03578	0.5
175.02449	1.6
178.02705	6.2
179.03453	0.6
192.03117	0.4
193.03290	0.7
193.05054	14.4
194.05380	0.6
224.05620	0.4
232.79141	0.3
239.05690	0.4
241.90062	0.3
256.03937	0.5
271.19131	0.3
281.06665	7.3
281.09592	0.5
282.07123	0.7
284.03247	15.8
285.03647	1.6
299.05588	18.3
300.05975	1.5
358.71933	0.4
415.23337	2.2
433.24744	1.0
434.25018	0.4
475.12720	13.4
476.12891	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	475.1247
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
51.76984	0.3
56.59469	0.3
59.01380	16.3
60.01699	1.0
61.01786	0.6
61.98846	0.5
62.38198	0.4
63.02401	2.1
63.04071	0.3
64.03458	0.3
65.00324	7.0
69.32326	3.2
71.01377	1.8
72.99298	0.4
80.13592	0.3
83.01382	4.2
85.02972	0.4
89.02448	1.1
93.03458	8.1
101.02450	1.7
107.01389	11.9
109.02947	0.7
113.02466	1.0
117.03445	2.0
119.05023	35.3
119.19498	0.3
120.05342	1.5
121.02904	0.4
123.04524	0.5
125.02465	1.7
131.01369	0.4
133.02957	1.1
135.04510	1.7
137.02437	1.2
145.02957	8.9
146.03279	0.6
149.02444	0.8
151.00368	40.2
152.00658	1.7
161.02455	7.2
161.04498	0.4
161.06036	0.3
162.02908	0.5
163.04031	1.1
165.01958	1.9
167.03514	0.3
169.01419	1.6
175.00397	1.0
175.03983	0.3
177.01927	5.4
179.03394	0.5
182.58911	0.4
193.01376	0.8
223.04083	0.3
227.07100	0.9
268.03650	0.5
271.06104	100.0
272.06427	8.5
284.03162	2.2
285.04028	1.5
299.05670	0.4
313.07172	3.5
314.07291	0.4
349.09305	0.8
389.64606	0.4
398.14719	0.4
415.23178	1.1
475.08240	0.9
475.12210	1.3
475.23196	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	475.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.01955	0.3
57.03456	0.8
59.01383	100.0
60.01718	10.0
61.01808	6.6
61.98838	1.1
66.43440	0.3
68.99820	0.3
69.91854	1.7
71.01379	6.5
72.99325	0.7
73.02951	1.7
74.02489	0.9
75.00860	1.5
83.01405	1.0
85.02953	5.9
85.62140	0.3
87.00915	1.7
88.00716	0.3
89.02437	2.1
93.03461	7.5
95.01396	2.1
96.96017	0.3
97.02993	0.3
98.20615	0.3
99.00882	2.1
101.02450	3.2
103.00393	0.9
108.02203	0.6
109.02958	0.4
111.00927	0.5
113.02457	10.4
114.02795	0.4
115.00401	0.5
117.01960	0.4
119.03509	0.7
119.05054	0.3
121.02992	0.8
122.03697	0.3
123.04559	0.6
124.59893	0.3
125.02536	0.3
129.01979	0.8
133.02986	0.9
134.03748	12.8
135.04504	0.9
136.01662	0.6
137.02452	12.4
138.02805	0.5
139.04048	0.9
139.12448	0.3
143.03490	0.7
145.03000	0.5
149.02455	0.4
149.06075	4.8
153.01976	0.6
161.02454	2.0
161.04536	1.4
163.04059	0.3
167.03590	1.2
175.02565	1.5
175.03915	0.4
177.01918	0.3
178.02733	8.1
179.03345	0.8
179.05719	0.4
191.03561	0.3
193.05063	21.0
194.05516	0.8
256.03842	1.1
263.08032	0.4
281.06650	9.7
282.07123	0.8
284.03268	18.6
285.03625	2.1
299.05606	21.6
300.06094	2.1
313.07272	0.5
316.21198	0.7
337.03503	0.4
415.23593	2.0
415.28452	0.4
431.13965	0.7
433.24521	1.1
475.12653	16.1
476.13071	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	475.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
57.03437	3.5
59.01379	31.5
60.01724	0.8
68.99821	0.9
69.48327	3.6
69.48734	1.1
71.01382	17.4
72.99323	3.2
73.02937	2.4
75.00883	5.2
83.01396	2.2
84.02171	0.7
85.02955	30.6
87.00901	5.2
89.02458	3.9
95.01399	9.5
99.00883	11.0
101.02435	3.7
103.00372	4.4
104.44400	0.6
107.01431	0.7
108.02147	3.5
109.02966	0.7
109.31760	0.7
111.00908	1.0
113.02451	57.5
114.02770	1.5
115.00383	2.0
117.01964	3.4
117.03451	2.2
119.03445	1.1
119.04991	1.3
120.93936	0.6
123.04534	1.4
125.02376	0.6
129.01933	2.6
133.02930	0.9
134.03731	1.2
135.04443	0.9
145.02922	9.1
151.00345	1.8
152.01135	6.5
157.01428	0.9
159.00829	0.7
161.02441	1.1
161.04553	1.1
163.03967	1.3
167.03497	7.4
175.02486	14.7
177.01910	1.0
177.68918	0.6
200.04781	0.9
213.53088	0.6
227.03448	1.4
255.02946	1.2
256.03741	4.3
271.89508	0.6
284.03253	100.0
285.03629	9.9
299.05591	69.3
300.05978	5.6
307.08115	5.3
341.06665	0.8
415.23276	2.5
433.24307	2.3
475.08810	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	475.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10495	0.4
57.03428	0.5
59.01090	0.9
59.01382	18.6
60.01706	0.9
61.98811	0.7
63.02390	2.4
65.00320	6.2
69.35579	1.5
69.35995	2.2
71.01381	2.5
72.99306	0.9
73.02939	1.1
74.81053	0.4
77.57483	0.4
80.68530	0.4
83.01392	3.5
85.02941	1.1
85.54763	0.4
86.03300	0.3
89.02451	1.7
93.03458	9.9
93.04066	0.5
95.01387	0.5
97.02960	0.5
99.00905	0.5
101.02438	1.6
107.01389	11.3
111.70488	0.5
113.02445	1.5
117.03467	4.1
119.05025	38.7
119.85416	0.4
120.05381	2.3
121.02991	0.6
125.02431	2.1
131.01398	0.6
133.02971	1.4
135.04529	2.2
136.01668	0.6
137.02431	1.5
145.02951	11.4
146.03369	0.4
149.02417	0.5
151.00368	41.8
152.00687	1.5
161.02454	6.8
161.04547	0.5
161.05888	0.4
162.02789	1.0
163.04008	1.7
164.01152	0.7
165.01900	1.7
169.01427	1.3
175.00360	1.1
177.01936	6.2
179.03479	0.8
185.06070	0.6
187.04027	0.5
193.01331	0.9
221.16557	0.4
227.07246	0.7
242.36726	0.5
253.04938	0.5
271.06107	100.0
272.06445	9.6
284.03238	2.5
285.03912	0.9
288.96814	0.4
299.05530	0.9
313.07254	4.0
349.09329	0.9
415.23178	1.1
433.24457	0.6
475.07510	0.5
475.12207	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	474.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
58.00592	0.9
59.01384	19.9
61.98829	8.0
71.01388	10.3
71.69784	0.5
71.86007	0.6
72.00910	4.5
72.04543	1.5
72.99310	2.4
73.02959	0.6
73.06181	0.5
74.02477	82.1
75.00895	0.7
75.02793	1.1
83.01402	0.7
84.04556	6.9
85.02952	2.6
86.02457	0.8
86.35483	0.6
88.62567	0.6
89.02442	8.7
95.01414	1.1
96.96015	0.7
98.02448	1.2
98.20626	1.6
99.12402	0.6
99.92595	1.5
100.92564	0.8
101.02444	8.1
104.03543	31.1
109.03001	1.0
113.02460	3.9
114.05610	2.1
115.92085	2.2
116.03548	10.9
116.92068	1.2
116.92854	10.8
117.92873	5.1
119.03526	3.1
123.00861	0.6
125.02390	0.6
128.03546	0.7
135.04536	1.1
137.02419	0.8
137.80774	0.6
138.03198	0.7
152.01137	0.8
153.05585	2.4
161.02437	0.8
179.03519	0.8
179.05615	0.8
181.05016	0.9
225.05966	1.5
249.35298	0.6
264.12387	1.8
387.16605	2.5
400.69080	0.6
426.17181	0.7
444.18753	23.7
445.18875	3.3
456.12140	0.9
456.18677	3.0
474.19769	100.0
475.14340	0.9
475.20261	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37637	0.4
52.54568	0.5
59.01365	0.7
61.48179	0.4
62.96367	0.4
69.41492	3.7
78.95905	52.0
89.65697	0.5
96.96972	2.2
107.89880	0.5
110.59192	0.4
111.22179	0.5
122.00102	1.1
127.55794	0.5
127.65646	0.4
134.37686	0.5
140.01195	7.2
152.99586	5.6
166.02814	0.4
171.00633	4.0
196.03789	12.9
214.04906	2.6
259.20602	0.5
277.21710	100.0
278.22052	10.2
337.34619	0.5
400.22455	0.6
467.26059	0.5
474.26270	42.1
475.26526	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	473.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11436	1.0
55.01872	1.0
57.03451	1.8
58.00598	3.6
59.01383	8.7
61.98816	1.0
69.03444	2.2
69.40326	1.5
69.40731	7.3
71.01379	1.3
71.05021	1.1
72.99309	9.0
73.02949	1.4
89.02467	1.5
95.05028	32.8
96.05333	1.0
98.03722	4.5
101.02421	1.4
113.02429	1.2
113.06091	87.0
114.06419	2.7
119.05028	1.8
120.40614	0.9
121.02955	2.2
123.04586	2.2
132.02107	1.6
133.02959	19.6
134.03673	1.4
135.04539	7.7
135.08156	1.3
137.02434	2.5
143.90950	0.9
145.02937	2.1
147.04556	1.7
151.04012	11.2
153.53365	1.0
161.02449	74.9
162.02806	3.6
164.07175	4.3
178.02684	5.5
179.03447	2.7
195.02966	2.0
210.14786	1.1
234.94167	1.0
293.10327	6.2
294.10770	1.1
311.11362	3.5
315.23325	2.8
323.19962	4.8
325.21677	13.2
341.21167	12.6
341.24808	1.6
342.21555	1.3
343.22745	15.2
344.23322	2.0
355.22867	1.8
357.24304	14.7
358.24710	2.6
359.25919	78.4
360.26282	9.4
377.26752	1.5
387.21771	1.6
401.23169	2.0
403.24966	5.1
404.25543	1.4
455.13489	4.3
455.31879	3.3
473.32675	100.0
474.28101	6.2
474.34085	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	473.365
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
57.03445	0.4
59.01381	1.7
61.98833	9.7
69.41714	1.4
71.01365	0.2
71.05033	1.7
83.05047	0.2
109.06570	0.2
133.02977	3.1
134.03302	1.4
149.02444	0.4
150.03244	2.5
151.03566	1.3
161.02449	10.1
162.02792	5.8
162.04158	0.3
163.02971	0.3
223.25098	0.2
234.88185	0.2
237.18542	0.3
269.07919	0.4
287.08472	0.2
289.70972	0.2
312.06390	0.3
313.06760	0.4
354.19272	0.2
360.34412	0.2
409.34534	1.3
410.13239	1.5
411.13486	0.2
411.32663	0.9
412.32782	0.2
413.34225	5.3
414.34552	0.9
427.35110	0.3
429.37277	0.3
473.36301	100.0
474.36716	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	474.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79420	0.8
59.01373	3.6
59.04992	0.9
61.98832	100.0
66.73895	0.8
67.38946	0.8
93.03450	6.5
98.19793	1.8
137.02429	11.8
140.27081	0.8
142.76678	1.0
148.05305	24.6
149.05750	1.3
163.07642	30.6
164.07971	1.4
179.14697	0.9
474.30646	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	474.1772
Annotation	Dauricoside
Peak:m/z	Relative Intensity
50.73891	0.7
54.08227	0.7
57.03436	1.2
59.01382	69.2
60.01713	1.6
61.98835	11.1
65.44134	0.7
65.70142	0.8
69.03463	1.0
70.02978	0.6
70.19164	0.7
71.01388	20.7
72.01723	0.9
72.76601	0.7
72.99331	2.2
73.02951	10.8
75.00851	1.1
81.03457	1.5
83.01395	3.9
83.05036	2.2
85.02961	7.7
87.00867	1.7
87.04508	1.9
88.98830	1.5
89.02450	11.9
93.03448	0.9
93.39006	0.7
95.01379	1.6
95.05021	4.0
95.51276	0.8
96.05424	0.7
99.00878	1.5
101.02444	16.5
107.13699	0.7
109.02946	2.3
109.06618	1.7
109.97880	0.7
110.06940	1.1
113.02452	12.8
116.92845	1.0
117.03531	0.8
119.03510	4.2
119.05019	1.7
123.04498	0.8
131.03459	1.2
133.02965	2.4
133.05322	2.3
134.03728	2.9
135.04529	16.6
135.08096	1.1
137.02449	2.8
143.03496	1.7
145.02934	0.9
146.03700	0.7
147.04544	4.2
148.05316	51.3
149.05782	2.9
150.01988	0.8
150.03210	1.1
151.03987	1.1
159.03085	1.1
159.04498	0.8
159.10226	0.8
161.02481	6.4
161.04488	5.2
176.03506	4.8
177.04306	2.1
177.09196	5.1
178.05095	30.7
178.09483	5.8
179.03503	1.4
179.05556	3.2
179.06966	0.7
190.05081	9.6
196.10623	0.9
208.10718	1.1
222.08582	1.5
253.08705	1.7
254.05788	0.9
269.08194	1.6
271.19156	1.0
285.04117	2.1
286.15643	0.8
297.10074	12.0
298.10342	1.9
303.14609	1.8
312.12415	100.0
313.07202	1.9
313.12799	11.0
315.51755	0.9
321.15451	1.0
345.19266	2.1
415.23386	7.5
433.24460	7.5
474.14850	1.0
474.20734	11.8
475.21307	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	473.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.0
59.01383	9.3
71.01401	1.0
72.99315	10.6
73.02937	1.0
73.67285	0.8
83.05028	1.2
89.02447	1.2
98.19844	2.3
102.44785	0.8
103.12387	0.8
111.08187	1.6
113.06087	0.8
121.02950	1.3
121.06594	1.3
122.03780	1.0
123.00946	0.9
123.04517	2.8
124.79875	0.7
132.02148	1.8
133.02954	24.8
134.03667	3.3
135.04527	6.2
137.02489	1.8
149.02472	1.8
151.04004	11.9
151.16557	0.9
156.84572	0.9
161.02444	87.5
162.02853	3.9
167.84241	0.7
169.24161	0.8
178.02705	6.2
179.03459	3.9
189.12807	2.8
191.14424	6.2
195.02988	1.4
197.04555	1.0
203.14407	1.6
209.06102	1.3
227.03574	1.5
233.15456	1.1
241.04930	0.9
243.54524	0.9
251.03436	1.9
252.04196	4.9
253.01469	2.9
253.05042	0.9
263.03339	1.3
267.06589	1.2
275.09323	1.3
279.03009	15.5
280.03769	19.6
281.04459	13.3
282.04950	2.0
293.10281	10.4
311.01987	1.9
311.05603	35.6
311.10925	4.3
312.05978	3.5
321.21335	0.9
357.25763	6.3
369.24310	0.9
371.27182	1.5
373.24799	1.9
373.29025	17.5
374.29382	2.0
387.27148	1.3
389.28452	8.7
390.28922	1.4
391.25809	1.1
391.30249	7.1
393.31668	1.6
403.25995	1.0
405.27872	2.6
407.29617	18.6
408.29779	3.6
409.30975	4.5
421.31271	6.8
423.28827	1.7
425.30707	2.6
432.37799	0.9
439.32172	82.4
440.32516	14.0
441.33749	7.9
455.13583	4.9
455.31668	8.5
456.13675	1.2
456.31799	1.2
465.29993	2.2
473.32721	100.0
474.27048	1.6
474.33072	17.3
483.31396	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	473.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03249	0.1
57.03502	0.5
59.01439	1.1
61.98867	0.3
62.49384	0.1
69.03492	0.2
71.01432	0.2
71.04673	0.5
71.05093	7.1
72.99383	0.2
73.02984	0.3
83.05109	0.6
85.03027	0.2
87.25588	0.1
93.40986	0.1
95.05111	0.3
97.06580	2.1
100.18291	0.1
101.02505	0.2
109.06773	0.1
111.08164	0.6
113.02523	0.2
119.05097	0.2
119.08669	1.3
121.06683	0.2
123.08236	0.1
133.03036	0.2
133.06602	0.6
135.04550	0.3
137.09796	0.4
139.07744	0.4
147.08250	0.4
149.09830	0.5
155.08757	0.2
155.10773	2.3
156.11183	0.2
157.06630	0.2
159.08206	0.1
161.02448	1.0
161.09697	0.1
162.02899	0.3
167.10901	0.1
173.09767	0.3
193.12384	0.2
200.99747	0.4
201.13026	0.1
207.14021	0.2
219.13879	0.2
221.15588	0.4
233.15392	1.1
257.15405	1.2
259.17218	0.3
276.15298	0.1
277.16003	0.4
289.19675	0.3
291.17487	0.7
292.18231	0.1
293.19177	0.2
295.16971	0.3
303.17551	0.2
303.20993	0.2
305.19177	0.4
307.20688	3.5
308.20975	0.6
317.22830	0.5
318.22580	0.1
319.20703	1.3
320.20996	0.2
321.18472	0.2
321.22232	0.3
323.20187	0.2
323.23825	0.7
325.21664	0.9
333.22296	0.3
335.23816	0.5
337.21832	0.6
341.21158	0.2
341.24957	0.3
349.21594	0.1
351.23373	0.2
353.25021	0.2
359.20230	0.3
361.21848	0.1
373.24268	0.6
375.23206	1.2
376.23633	0.3
385.23627	0.2
389.27649	0.8
391.26407	19.2
392.26746	3.1
393.24258	0.8
401.27048	0.7
402.27197	0.2
405.28061	0.4
407.29562	14.0
408.24506	0.2
408.29941	2.7
409.27466	6.3
410.27890	0.8
421.27383	0.3
423.28943	0.5
424.29364	0.2
425.30795	6.4
426.31189	1.1
439.28522	1.1
440.28757	0.2
441.26117	1.0
441.30417	0.8
442.30789	0.2
453.30084	0.4
455.31708	2.2
456.31998	0.3
457.29611	5.9
458.29861	1.0
473.32642	100.0
474.33017	17.7
490.29230	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	473.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
59.01382	62.9
61.98840	8.1
71.01361	1.1
73.02946	1.5
73.03335	0.8
73.69128	0.7
73.69539	0.7
78.09779	0.8
78.30203	0.8
98.19732	1.6
108.26077	0.8
111.08131	1.3
126.16051	0.8
133.02956	2.9
134.03273	1.2
150.79135	0.8
161.02451	9.3
162.02766	3.8
189.12907	3.8
191.14404	7.0
192.65616	0.8
215.14333	1.0
234.41432	0.8
281.17740	1.0
389.28387	1.3
407.29510	3.4
410.13058	1.2
421.31165	1.2
425.30426	1.7
427.32748	1.0
429.29938	1.2
435.29333	1.0
439.32199	18.2
440.32556	3.6
441.33582	2.1
443.31705	1.1
455.31778	5.3
456.32169	0.9
473.32712	100.0
474.33011	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	473.3273
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.57862	0.7
57.03423	0.8
59.01373	2.3
61.98827	2.8
66.85332	0.8
70.60801	0.7
70.93950	1.7
71.01394	1.3
71.05035	1.5
73.02970	0.8
83.05032	1.8
85.02979	0.8
86.08435	0.7
108.81683	0.6
111.08179	0.7
133.02945	1.1
148.05290	1.1
151.31052	0.8
161.02448	3.6
162.02740	1.3
189.12804	2.6
191.14424	5.9
214.71085	0.7
253.05087	2.7
255.17484	1.4
281.04669	0.9
294.95242	0.7
306.21667	0.7
309.04001	4.8
310.04410	1.1
355.24036	1.0
357.25824	5.6
363.26639	0.9
371.27454	1.2
373.25363	1.2
373.29044	17.4
374.29449	3.6
389.28455	7.7
390.28772	2.0
391.25778	1.5
391.26764	1.0
391.30127	6.2
392.27130	1.0
403.30356	1.3
405.27975	2.4
407.29526	16.0
408.30023	2.5
409.31250	3.6
421.31027	5.4
423.28906	2.3
425.30777	2.1
429.12799	0.9
439.32144	77.5
440.32483	14.3
441.28503	1.1
441.34634	4.9
452.29379	0.7
453.29974	2.0
455.31732	6.8
456.31854	1.2
465.30035	2.4
473.32693	100.0
474.33112	17.9
483.31195	6.3
484.31631	1.9
485.32480	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	473.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01380	0.7
61.98837	1.3
69.03449	0.2
70.58817	0.1
71.05021	4.0
72.03713	0.1
72.05344	0.1
73.02946	0.3
76.99226	0.2
83.05026	1.3
84.68281	0.1
97.06572	0.5
111.04498	0.3
111.08154	0.6
119.08675	0.3
121.06603	0.2
133.02936	0.2
133.06590	0.2
133.67151	0.2
134.03268	0.2
135.08188	0.3
137.09686	0.4
147.08157	0.3
149.09689	0.5
150.03218	0.3
151.03561	0.2
155.10808	1.6
161.02464	1.3
162.02838	0.8
176.52081	0.2
181.12349	0.2
205.12344	0.2
207.13896	0.2
218.13135	0.4
219.13853	0.3
221.15491	0.3
227.03555	0.2
231.14018	0.2
233.15488	0.7
250.12106	0.4
253.04977	0.1
257.15515	0.6
286.19464	0.3
291.17676	0.2
293.18976	0.4
307.20630	0.6
309.03915	0.3
319.20416	0.3
323.23666	0.6
325.21790	0.2
335.23849	0.3
359.20029	0.2
369.24561	0.2
373.24869	0.3
375.23221	0.4
389.28262	0.4
391.26511	2.1
392.26627	0.4
395.29593	0.3
401.26648	0.3
407.29532	7.3
408.29944	1.1
409.27493	0.5
410.13358	0.2
411.28998	0.9
412.29550	0.3
417.27890	0.2
419.25793	0.2
423.29156	0.5
425.30664	2.5
426.30954	0.5
427.28900	0.1
433.27304	0.7
435.29080	0.5
437.26611	0.4
439.28183	0.2
441.25592	0.2
441.30765	0.3
450.24283	0.2
451.28381	0.3
453.30075	10.9
454.30573	1.8
455.31943	0.8
457.29486	2.5
458.29871	0.2
471.31186	1.0
472.31030	0.2
473.32684	100.0
474.33044	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71469	0.5
59.01382	100.0
60.01727	1.2
61.98829	0.9
62.08205	0.5
67.69692	0.5
69.37835	5.1
71.01388	2.4
72.99321	0.5
73.02953	1.0
73.90179	0.5
74.05873	0.5
83.01382	0.6
85.03007	0.5
87.00805	0.6
89.02444	1.2
93.03452	0.9
98.19749	0.6
101.02456	1.5
109.02949	0.5
113.02496	1.6
117.03480	2.4
119.05045	2.1
120.50388	0.5
123.63680	0.5
135.04526	1.5
137.02451	0.6
145.02969	9.4
161.02478	0.7
161.04590	0.7
163.04025	1.8
165.05554	2.5
187.18726	0.5
239.03513	0.8
240.04472	0.5
268.03735	8.7
269.04471	2.3
276.43356	0.7
291.68805	0.5
307.08243	3.2
341.21875	0.7
353.19611	1.1
371.20883	1.3
413.21930	1.9
473.10043	7.2
473.33163	1.0
476.23038	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	473.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21941	2.8
73.20646	0.9
84.63751	0.8
98.20003	0.8
111.11217	0.7
115.59754	0.8
121.06610	13.5
122.06966	1.2
133.06625	2.4
149.09721	100.0
150.10065	5.6
157.39455	0.9
163.11298	5.4
178.69046	0.8
205.15927	5.2
246.16267	0.8
266.13150	0.9
297.18661	9.0
298.19119	1.2
311.20145	24.6
311.23532	1.4
312.20651	3.1
323.20151	19.5
324.20502	3.6
367.06345	0.9
457.25443	3.0
473.30621	95.2
474.30994	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	473.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89410	0.3
57.03438	1.0
58.00581	0.3
59.01379	2.4
60.38087	0.3
60.54590	0.3
61.98816	0.8
67.78795	0.3
68.24779	0.3
71.01371	0.4
71.05022	9.4
72.22894	0.3
76.49397	0.3
77.66199	0.3
83.05049	1.8
85.02955	0.3
95.05010	0.6
97.06586	2.4
100.55043	0.3
101.06087	0.7
107.05067	0.5
111.08153	0.7
119.08688	0.5
121.02934	0.4
121.06582	2.0
123.08167	7.7
133.02953	0.6
133.06596	2.3
135.04483	0.5
135.08168	2.4
137.09703	1.2
149.09732	0.4
153.09267	0.5
155.10777	2.3
161.02441	2.3
162.02826	0.3
163.11403	0.3
170.77122	0.3
205.12314	0.6
205.16040	0.4
219.13838	0.6
221.15251	0.4
227.03468	1.9
233.15451	0.9
253.16054	0.3
257.15607	0.7
265.18124	1.5
271.17038	0.6
287.20224	1.0
289.17996	2.9
303.19711	0.4
305.21243	3.9
306.21454	0.4
307.20767	1.1
309.04013	0.4
310.04773	1.0
317.21310	0.6
325.21793	0.8
335.23883	0.3
337.21530	0.4
341.24957	0.3
353.21115	0.4
353.24811	0.5
371.25931	1.9
373.24347	0.4
375.23279	0.6
383.25818	0.7
389.27060	3.6
390.27267	0.9
391.26379	4.9
392.27036	0.8
395.25470	0.4
401.26920	2.6
402.27240	0.5
407.29572	8.4
408.29880	1.8
409.27448	2.6
411.28976	1.2
421.27548	0.4
425.30737	6.3
426.31058	0.9
433.27228	0.6
435.29108	0.5
437.31119	2.7
438.31015	0.4
439.28381	1.0
441.30170	4.1
442.30573	0.6
443.31546	0.7
453.30136	12.3
454.30518	2.0
455.31714	13.7
456.31964	2.4
457.29721	2.3
458.30878	0.3
471.31140	1.3
473.32700	100.0
474.33069	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28785	0.7
53.43462	0.8
56.69945	0.6
59.01381	100.0
60.01705	0.8
68.47336	0.8
70.12952	2.1
71.01389	0.8
76.03851	0.7
78.63493	0.7
84.94585	0.7
85.02961	1.0
87.46912	0.8
95.53865	0.6
145.72961	0.8
160.79779	0.7
167.92207	0.8
174.38905	0.7
428.68375	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.28952	0.7
69.62881	3.2
69.63295	2.3
71.01379	1.1
96.06878	0.8
98.19932	1.7
137.52722	0.8
145.02953	1.2
161.09727	1.2
161.83893	0.8
187.11247	1.2
205.12206	0.9
473.20425	3.7
474.20401	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01702	1.1
61.98829	0.7
71.01386	1.9
72.99326	0.4
73.02957	0.9
83.01400	0.4
85.02978	0.9
89.02470	0.6
89.60797	0.2
92.73608	0.2
93.03465	0.3
99.00883	0.4
101.02458	1.5
109.02936	0.4
113.02470	0.8
113.91203	0.2
117.03480	1.3
119.05025	1.7
121.06551	0.2
133.02988	0.4
135.04575	0.6
145.02951	4.4
161.02469	0.6
161.04564	0.5
163.04010	1.3
165.05634	0.9
179.03505	0.4
209.15611	0.3
268.03751	2.8
268.06161	0.3
269.04443	1.1
307.08258	1.3
311.06476	0.2
353.19836	0.7
371.20551	1.2
372.21570	0.3
413.21988	1.2
426.45325	0.2
431.23065	0.4
473.11084	2.1
473.15787	0.8
473.24042	0.6
473.33408	0.3
474.24060	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	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.3
56.66060	1.2
57.03442	5.5
59.01384	100.0
61.98842	2.5
68.00567	1.3
69.32254	13.5
71.01385	15.5
71.04997	1.4
72.99329	1.3
73.02959	8.8
75.00858	1.3
83.01397	4.3
83.05016	2.3
85.02962	9.3
87.00873	8.3
89.02441	5.7
91.01443	1.2
95.01393	2.1
97.06592	4.5
98.19730	2.3
99.00893	2.4
101.02465	16.6
103.00401	2.2
107.05041	11.6
113.02463	8.2
119.03474	1.5
120.05773	3.2
130.02493	1.2
131.44676	1.2
134.03635	1.3
135.04515	20.7
136.97894	1.2
138.42412	1.3
141.05620	2.4
145.02975	3.1
147.84209	1.4
152.04773	1.8
159.02959	1.6
160.01662	3.3
161.02415	3.2
161.04543	8.1
161.09755	16.1
161.13367	12.3
162.13599	1.4
163.03975	2.0
163.11269	2.2
164.04791	28.9
175.04044	3.1
179.07147	21.8
179.10794	2.7
180.07378	1.7
187.09731	2.2
187.11299	25.1
188.23190	1.5
189.09247	17.3
197.18800	1.1
198.98212	1.4
203.10854	1.9
205.12364	16.0
207.10284	7.9
222.58553	1.3
223.08240	15.3
249.11281	10.0
267.12363	3.8
293.08752	1.5
337.09354	3.6
343.11841	1.3
455.19391	1.9
473.20331	74.1
474.20724	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	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02558	0.8
59.01381	100.0
60.01725	1.2
61.98832	7.3
69.48524	2.2
69.48951	3.2
76.29662	0.7
79.88399	0.6
97.78118	0.7
98.20658	1.4
102.97583	0.8
133.02992	2.0
133.06522	0.7
134.03351	0.7
150.03259	1.0
161.02409	6.9
162.02774	4.5
191.14383	1.0
284.95642	0.8
337.98328	0.7
354.90714	0.8
391.30936	0.9
407.29526	1.0
410.13608	1.6
439.32382	3.1
455.31766	0.9
473.32288	15.0
474.33286	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	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52546	0.9
54.51831	0.9
57.03435	2.1
59.01379	95.4
61.98834	10.5
69.03452	4.0
69.91318	4.5
70.78164	1.0
71.00986	1.6
71.01380	23.1
72.99314	5.4
73.02953	14.0
80.23911	1.1
81.03467	10.8
83.01397	4.2
83.05026	15.5
83.98096	1.1
85.02959	12.5
87.00898	2.4
87.04501	2.3
89.02445	13.1
93.03452	4.6
95.01408	2.0
95.05025	24.6
96.05372	1.0
97.06609	1.7
99.00860	3.0
101.02448	18.0
103.04024	4.1
107.05040	2.5
109.02951	4.8
109.06590	16.6
113.02459	10.6
117.03489	2.3
119.03524	2.7
119.05012	4.9
121.02990	1.9
121.06545	1.3
123.04497	7.8
123.08092	1.3
125.02414	1.9
130.62918	1.2
131.04999	2.3
133.02968	3.0
133.06618	1.4
133.10283	1.1
134.03749	2.6
135.04521	15.1
135.08191	9.8
137.02472	2.7
141.05576	4.0
143.03516	2.3
144.31837	1.0
145.02928	2.5
146.03595	1.3
147.04543	11.8
148.04108	1.9
148.05302	35.2
149.06073	4.4
149.09665	1.1
150.03203	1.5
152.07164	1.4
153.05591	1.8
159.04414	1.4
159.08130	3.9
161.02460	8.4
161.04544	6.2
161.06094	5.1
163.04013	1.7
163.06070	1.5
163.11325	1.4
165.59407	1.1
173.06004	1.3
174.03284	1.3
175.07640	4.9
176.03514	2.3
176.08372	1.4
177.09204	68.5
178.05093	20.8
178.09508	3.5
179.03426	2.9
179.07155	3.3
187.03839	1.2
187.07608	3.6
189.05568	2.3
190.05049	9.2
195.10255	2.9
207.10254	3.9
221.08180	20.1
231.10217	2.6
239.09184	1.5
251.11411	2.8
253.08878	2.0
262.09409	2.3
266.05905	1.9
267.06537	3.0
269.17557	4.0
275.09323	1.9
281.06778	2.7
282.05298	1.1
283.06204	1.8
293.04587	2.2
293.10278	3.1
297.10175	8.5
299.63232	1.1
311.05566	3.1
311.11255	2.1
312.12399	85.1
321.04123	1.5
325.11420	2.0
342.16806	1.2
353.06763	2.7
369.09970	1.8
369.15024	4.4
387.16605	4.0
413.08884	3.7
413.21848	2.7
429.17709	3.3
431.23184	1.7
431.42410	1.0
455.19193	5.0
473.20227	100.0
474.14630	1.9
474.20572	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	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42136	2.9
59.01384	100.0
66.38769	2.6
67.47510	2.7
69.94273	2.6
70.90701	6.4
71.01383	20.3
73.02953	24.2
75.12238	3.2
83.01358	3.9
85.02958	5.6
87.00831	3.1
89.02441	10.3
101.02439	15.4
108.02121	3.3
113.02460	10.0
122.03006	2.8
132.02097	5.1
134.03712	8.9
149.06076	3.3
151.26376	3.5
160.01692	19.6
161.04567	3.0
163.11279	5.0
175.03984	26.1
193.05045	11.1
207.10237	13.2
209.03801	2.9
235.06120	4.6
257.40363	2.9
260.34561	3.0
301.65884	2.8
369.15131	3.8
378.70810	3.3
387.16458	11.0
429.17673	80.0
430.17953	9.1
473.16415	30.4
473.22260	3.3
474.16611	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	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01380	100.0
59.76759	1.0
60.01697	2.2
60.26223	1.1
61.98833	6.4
62.52304	1.1
69.38525	4.2
69.38955	4.2
71.01384	16.2
72.01731	1.0
72.99297	1.3
73.02948	14.5
79.05510	1.2
83.01381	4.6
85.02943	6.4
87.00880	2.1
87.04527	1.9
89.02440	6.6
93.03459	3.7
95.01358	2.2
95.05077	1.0
97.02933	1.2
98.19839	2.0
99.00866	1.1
101.02442	17.0
103.00355	4.3
104.57273	1.0
107.05057	1.5
108.04604	1.4
109.02897	1.5
113.02435	7.7
116.92878	4.9
117.03445	1.8
119.03488	1.6
119.05066	4.8
123.04478	1.3
123.84588	0.9
125.02423	1.4
131.03636	1.1
135.04523	10.7
137.02493	1.5
143.03447	2.2
145.02960	3.8
149.02414	1.0
161.02419	3.9
161.04550	4.7
161.05922	1.2
163.03947	2.7
163.11290	9.1
164.03508	1.8
179.03517	1.6
187.11247	1.2
205.05070	1.7
207.10252	24.3
208.10683	1.7
210.09250	1.6
225.10347	2.1
237.10194	2.1
238.08727	1.6
239.40077	1.0
240.04105	1.6
253.09866	3.1
268.03735	17.8
269.04425	6.8
281.09253	7.4
293.05496	1.1
294.06616	5.5
295.06598	1.2
309.08847	11.9
310.09323	2.3
311.06012	1.4
311.10059	1.1
327.10007	1.4
337.08286	5.0
345.50131	1.2
355.09305	14.7
356.09552	2.5
362.21191	1.1
369.10880	4.3
373.10526	5.0
381.05966	2.4
387.23386	1.3
397.10306	3.9
413.21793	6.0
415.11414	32.6
416.11682	3.5
429.17822	3.1
431.22684	4.6
473.10641	14.6
473.24228	21.8
474.24472	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	473.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49088	2.8
56.30836	2.8
57.03441	3.4
59.01379	77.3
61.98835	65.8
69.41151	19.2
69.41574	11.7
71.01368	9.6
72.99310	16.9
73.02937	4.8
80.43633	3.6
83.01376	3.2
85.02966	3.9
87.04509	49.8
93.03462	17.0
101.02441	8.7
106.06678	5.0
107.05083	4.1
113.02467	3.2
114.58904	3.5
117.03411	3.8
119.05034	29.9
123.04539	11.3
133.02917	8.5
134.06113	35.6
135.04524	35.4
145.02951	4.9
148.05263	19.1
161.02429	31.9
162.02863	3.5
163.03998	32.4
163.07639	16.0
175.03955	5.4
179.03413	4.6
181.05061	100.0
182.05304	4.2
190.05115	10.5
207.17531	4.2
222.07727	10.6
234.07851	7.7
247.79953	3.2
269.17578	59.5
270.17761	7.1
293.10034	4.2
293.17587	9.3
309.12448	3.9
311.18442	3.5
313.58783	3.0
337.12048	7.4
369.14496	66.6
429.16605	13.4
473.14597	32.9
473.23331	4.5
474.15009	3.7
474.30826	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	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01380	100.0
59.76759	1.0
60.01697	2.2
60.26223	1.1
61.98833	6.4
62.52304	1.1
69.38525	4.2
69.38955	4.2
71.01384	16.2
72.01731	1.0
72.99297	1.3
73.02948	14.5
79.05510	1.2
83.01381	4.6
85.02943	6.4
87.00880	2.1
87.04527	1.9
89.02440	6.6
93.03459	3.7
95.01358	2.2
95.05077	1.0
97.02933	1.2
98.19839	2.0
99.00866	1.1
101.02442	17.0
103.00355	4.3
104.57273	1.0
107.05057	1.5
108.04604	1.4
109.02897	1.5
113.02435	7.7
116.92878	4.9
117.03445	1.8
119.03488	1.6
119.05066	4.8
123.04478	1.3
123.84588	0.9
125.02423	1.4
131.03636	1.1
135.04523	10.7
137.02493	1.5
143.03447	2.2
145.02960	3.8
149.02414	1.0
161.02419	3.9
161.04550	4.7
161.05922	1.2
163.03947	2.7
163.11290	9.1
164.03508	1.8
179.03517	1.6
187.11247	1.2
205.05070	1.7
207.10252	24.3
208.10683	1.7
210.09250	1.6
225.10347	2.1
237.10194	2.1
238.08727	1.6
239.40077	1.0
240.04105	1.6
253.09866	3.1
268.03735	17.8
269.04425	6.8
281.09253	7.4
293.05496	1.1
294.06616	5.5
295.06598	1.2
309.08847	11.9
310.09323	2.3
311.06012	1.4
311.10059	1.1
327.10007	1.4
337.08286	5.0
345.50131	1.2
355.09305	14.7
356.09552	2.5
362.21191	1.1
369.10880	4.3
373.10526	5.0
381.05966	2.4
387.23386	1.3
397.10306	3.9
413.21793	6.0
415.11414	32.6
416.11682	3.5
429.17822	3.1
431.22684	4.6
473.10641	14.6
473.24228	21.8
474.24472	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	473.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35015	0.6
58.91332	0.5
59.01381	15.4
61.98827	1.3
69.03466	1.3
71.01385	11.4
71.62392	0.7
72.99315	1.6
73.02950	2.3
81.03472	0.7
83.01401	0.7
85.02966	1.9
87.00878	0.8
89.02450	14.9
89.45922	0.6
93.03465	0.7
96.96011	1.8
97.02952	1.7
99.00893	2.7
99.92607	0.7
101.02447	5.0
105.01951	0.6
107.05035	1.3
109.02992	2.2
109.35587	0.6
113.02471	2.6
114.13956	0.7
115.04066	1.1
116.92866	1.9
119.03524	0.8
123.04540	1.9
125.02466	7.1
131.03500	2.7
133.02972	0.9
134.03757	3.4
135.04527	100.0
136.03995	0.5
136.04877	3.8
138.04527	0.6
143.03520	0.9
145.02962	1.1
146.03731	11.0
146.04817	0.9
147.04149	0.9
149.04538	1.3
149.06158	1.2
152.01143	0.7
160.90755	0.6
161.02470	2.6
161.04791	0.8
161.06087	3.6
162.06543	0.7
163.04019	0.6
164.04831	1.5
167.03528	2.3
173.02440	1.4
174.03241	2.4
179.03502	94.4
180.03847	4.9
191.05574	1.2
191.07143	0.7
193.05002	0.5
227.06808	0.7
233.06592	5.4
235.05986	0.6
237.05598	1.0
251.05582	0.9
254.05827	0.8
255.06644	2.0
265.04852	0.7
270.76636	0.6
280.79306	0.6
281.07077	0.7
283.06097	5.0
293.08777	5.0
299.69669	0.6
311.05594	15.6
312.05829	1.1
360.52075	0.6
383.10010	0.8
396.90509	0.6
473.12906	14.8
474.13388	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	473.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36900	0.8
57.03445	0.8
59.01381	50.9
61.98821	1.2
66.52882	0.7
69.03419	0.7
69.41880	5.0
71.01385	12.8
73.02940	2.9
83.01390	1.0
84.34612	0.7
84.61528	0.7
85.02948	4.6
87.00880	0.8
89.02447	14.1
93.03458	1.7
95.01402	0.9
96.95990	1.2
97.02943	1.6
98.19761	0.9
99.00886	2.7
101.02440	8.1
107.05030	15.6
107.37617	0.6
108.05393	0.9
113.02459	5.4
117.03447	0.9
121.03000	3.5
125.02416	4.2
131.03484	1.9
132.02136	1.0
133.03029	0.9
134.03755	5.5
135.04521	6.2
135.06627	0.9
137.02448	1.7
143.03522	1.2
145.02933	0.9
149.04573	2.7
149.05867	0.7
151.03976	1.3
160.01645	11.8
161.02380	2.7
161.04567	1.9
163.04057	0.7
164.04779	2.1
175.02510	1.0
175.04012	14.6
179.03499	100.0
179.06931	1.9
180.03836	5.3
180.05214	0.8
191.05615	1.5
193.05057	6.6
207.06711	0.7
207.10291	0.8
219.03000	1.5
219.22313	0.7
233.06596	2.5
235.05927	0.7
239.09334	0.9
251.07672	3.5
263.85495	0.7
269.17584	2.0
293.08810	3.2
303.07449	0.9
304.91013	0.7
347.13855	1.0
413.21814	4.8
429.17770	2.7
431.23080	1.2
470.61145	0.9
473.16479	15.9
473.23114	1.0
474.16681	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	473.1085
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.80827	0.3
52.17249	0.4
54.52826	0.3
57.03438	0.7
59.01379	14.8
62.60572	0.3
63.02398	1.0
65.00323	0.9
69.68658	2.1
71.01387	2.0
72.99315	0.5
73.02934	1.1
73.92889	0.3
78.58135	0.3
80.13302	0.4
83.01398	1.1
85.02973	0.9
89.02438	0.7
101.02437	1.3
107.01418	2.3
113.02451	1.1
117.03450	2.4
119.05059	0.7
121.02964	0.4
133.02985	0.4
135.04504	1.3
148.01620	0.7
149.02440	1.5
149.99583	0.6
151.00371	4.1
159.04501	0.4
161.02417	0.7
161.09750	0.5
161.13362	0.5
169.44171	0.4
171.04535	0.7
172.05284	0.8
183.04550	0.4
184.05354	0.5
187.11288	1.2
189.09285	0.7
195.04582	0.8
196.05312	0.9
200.04774	1.1
205.12364	0.9
207.10315	0.4
211.03961	1.7
212.04817	0.7
223.08199	0.5
239.03458	4.6
240.04260	4.5
256.89053	0.4
267.02982	1.7
268.03766	100.0
269.04446	23.0
269.14029	1.8
270.04974	1.8
283.06042	0.4
311.05579	0.8
341.21436	0.4
355.09225	0.8
407.99164	0.3
413.21957	0.8
415.11313	1.5
431.22928	0.5
473.10883	77.6
473.24802	1.7
474.11206	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	473.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
59.01380	3.7
61.98837	5.3
71.01386	2.1
71.64222	0.5
72.95256	0.3
72.99298	0.8
73.02945	0.3
74.02469	0.9
78.95926	0.6
85.02913	0.6
87.00848	0.5
87.72926	0.3
89.02442	0.7
96.95991	1.0
99.00872	0.5
99.04533	0.5
99.92581	14.3
100.92606	1.0
100.93391	1.3
101.02458	1.2
102.48254	0.4
103.00350	0.5
108.02171	0.9
109.02995	0.7
111.00850	0.4
113.02448	0.6
114.93378	0.4
114.94899	0.5
115.92078	22.7
116.92860	100.0
117.92874	5.5
122.03743	0.9
123.04540	1.0
125.02432	1.0
128.03569	0.8
135.04517	3.1
137.02507	0.4
140.92889	0.5
141.93680	0.7
142.94446	1.0
148.05202	0.4
152.01190	0.9
153.01933	0.7
156.92392	0.7
158.93828	0.4
161.04564	0.7
163.04024	0.4
167.03523	1.2
177.01924	0.6
179.03511	2.6
184.91826	2.0
189.01692	0.4
212.95007	0.4
220.68590	0.4
221.04620	0.6
224.94969	0.4
242.96045	1.1
244.97580	0.5
264.66898	0.3
302.98157	0.6
311.05603	0.4
329.08777	0.5
368.99188	2.0
369.99799	0.4
387.00137	2.9
388.00363	0.5
411.00073	0.9
429.01196	3.3
430.01553	0.7
473.00293	8.5
473.12897	1.7
474.00452	1.2
474.19440	0.8
478.62549	0.4
497.95984	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	473.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75937	0.4
59.01382	11.0
60.44507	0.5
60.46303	0.5
61.98833	0.9
71.01388	1.8
71.05036	0.5
71.52593	0.5
72.99307	9.3
73.02976	0.5
83.01407	0.5
85.02954	0.7
89.02430	1.0
93.03452	0.6
94.91705	0.5
101.02423	1.1
105.03461	0.9
109.02915	0.7
109.22472	0.4
111.00872	0.8
113.02448	0.5
118.09185	0.5
121.02967	1.4
121.06564	0.6
123.00916	1.6
123.04523	2.1
132.02162	1.4
133.02956	26.8
134.03833	3.2
135.04533	7.3
137.02438	2.5
139.04025	0.8
145.03008	0.6
149.02448	1.1
150.03152	0.9
151.04010	13.0
152.04297	0.5
161.02444	100.0
162.02783	4.7
167.05002	0.5
177.01817	0.6
178.02710	5.9
179.03464	4.4
195.02969	0.8
195.04588	0.9
197.04520	0.6
207.04601	0.8
209.06070	1.5
211.04021	0.7
212.25023	0.6
223.04120	0.9
224.04810	2.0
225.05504	1.6
226.02660	1.4
227.03484	2.5
231.10194	0.9
231.64514	0.5
235.03958	1.6
236.04677	0.6
237.05437	0.7
240.04294	1.3
241.05046	1.1
250.02812	0.7
251.03479	7.8
252.04225	10.1
253.01408	7.3
253.04947	2.8
254.01819	0.7
263.03488	2.5
264.04251	2.9
265.05121	0.5
267.06665	1.0
268.03699	2.5
275.09055	0.9
279.02966	35.9
280.03738	51.9
281.04495	30.4
282.04868	3.1
283.05783	0.7
293.04868	0.6
293.10306	10.4
296.03287	1.8
311.05612	77.4
311.10788	5.1
312.05945	7.6
346.67648	0.5
369.24429	1.4
373.24725	0.5
373.29031	1.8
407.29471	1.2
421.31317	0.6
435.34363	0.5
439.32175	7.6
441.34061	0.5
455.13486	5.4
455.31592	1.7
472.35922	4.9
473.27106	3.1
473.32898	9.5
474.27347	0.6
474.33325	1.1
476.25653	0.5
483.31506	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	472.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72318	1.9
55.55004	2.0
56.71227	2.2
59.01371	4.5
61.98838	11.4
67.03001	4.4
71.63218	3.2
73.02944	2.1
78.80428	1.9
83.01337	2.5
83.02514	3.2
85.02946	3.7
85.69191	2.1
92.05058	24.4
94.04124	3.1
102.05587	6.7
106.04109	4.9
108.02197	10.8
109.02942	8.4
109.04075	6.6
110.03295	2.4
116.92879	12.6
117.04497	2.3
121.39651	2.1
126.06738	7.5
128.03543	47.7
135.04514	12.3
135.05643	8.5
136.04048	8.3
137.02385	2.6
145.73927	2.0
146.04596	10.4
147.05624	4.9
148.04051	18.4
149.04723	2.3
149.06108	4.2
151.17928	2.1
152.01184	12.2
153.01665	8.8
163.06250	9.7
170.43063	2.1
177.10298	11.6
179.03487	5.2
185.07297	2.1
189.05609	2.3
189.10320	7.0
215.08197	3.1
221.04422	2.5
221.09332	13.5
233.09297	24.7
247.31229	2.2
258.08810	2.9
275.11505	10.1
276.11838	2.1
300.11026	61.7
315.07138	2.8
316.07632	5.5
343.11255	12.5
348.36703	2.2
360.16660	4.6
385.16373	20.0
386.14883	2.4
404.15732	56.4
405.16006	7.1
411.14182	8.5
429.15283	21.0
430.14215	3.6
454.14960	4.0
472.16397	100.0
473.16882	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	472.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01374	3.0
61.98832	100.0
71.01395	2.1
71.63324	0.7
76.63235	0.6
89.02473	1.4
93.03483	0.7
96.96025	1.3
99.92591	1.8
101.02434	1.3
109.02883	0.7
111.08158	0.6
113.02451	0.6
114.05643	0.8
115.92110	2.3
116.92869	9.1
125.02390	0.5
128.03584	0.6
131.53960	0.5
134.03766	1.5
135.04526	38.4
137.02429	1.1
152.01128	0.6
167.03528	1.0
177.01942	0.6
179.03499	46.6
265.50470	0.6
311.05685	2.0
379.00665	0.6
384.85968	0.6
401.02435	0.6
409.52341	0.6
472.24207	1.7
473.00540	0.7
473.12894	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	472.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01969	1.5
50.51719	1.6
54.64483	1.7
58.00598	3.2
59.01382	45.3
59.42916	1.3
61.98838	2.4
66.46711	1.5
71.01390	37.7
71.40868	1.4
71.61877	2.1
72.99290	1.7
85.02965	5.1
87.00889	4.6
88.04054	3.3
89.02449	48.0
89.02989	2.7
90.63815	1.6
95.01416	2.8
101.02454	21.5
113.02447	13.2
119.03499	16.2
125.02390	1.5
130.05116	2.5
130.08746	64.7
131.03526	2.9
131.09183	2.1
135.04579	1.8
143.03540	3.9
161.04594	9.7
179.05630	30.2
189.05638	3.0
248.55252	1.5
341.10883	100.0
342.11362	8.0
342.14893	2.1
395.59229	1.7
408.69742	1.6
412.07870	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	472.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
59.06250	0.3
61.98830	17.7
69.67478	1.0
69.67887	0.5
74.46545	0.3
101.02539	0.2
101.14674	0.2
105.03405	0.3
109.02971	0.3
130.07594	0.3
132.02180	1.0
133.02954	25.2
134.03304	1.0
135.04544	0.6
146.03772	0.5
149.02426	1.4
149.06062	0.7
150.03230	5.2
151.03633	0.2
159.04488	0.5
161.02438	100.0
162.02779	4.9
174.03215	2.8
175.04004	1.0
175.07634	0.7
176.04826	0.3
187.07632	0.6
190.06302	0.4
191.07208	0.4
200.04756	1.4
203.03680	0.3
203.07130	6.1
204.07472	0.4
205.08675	1.4
211.07669	0.4
215.07083	0.8
216.07869	0.3
218.05809	0.7
229.08632	2.0
247.09747	6.4
248.10008	0.7
259.31314	0.2
312.06531	0.5
321.11322	1.3
347.12903	0.3
365.13879	2.2
366.14017	0.3
409.12912	7.4
410.13068	1.2
461.04520	0.2
473.32712	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	472.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30719	0.3
59.01374	2.3
61.98833	19.5
64.77589	0.3
67.57864	0.3
69.37576	2.9
71.01406	0.4
71.05012	0.3
72.99306	3.1
85.30565	0.3
87.16850	0.3
109.02978	0.5
116.99074	0.3
117.03438	1.9
118.03806	0.6
119.04986	0.5
121.02905	0.6
123.04523	1.1
132.02185	1.0
133.02960	22.9
134.03665	1.0
135.04541	3.4
137.02441	0.6
145.02965	4.7
146.03273	2.6
148.05292	0.9
149.02467	0.7
150.03220	0.9
151.04001	4.6
161.02444	100.0
162.02762	3.9
163.04030	0.5
163.07628	0.4
174.03252	1.7
175.07698	0.4
178.02769	2.3
179.03496	5.2
195.02954	0.3
200.04811	0.5
203.07152	4.0
218.05807	0.3
229.08687	0.6
237.30658	0.3
247.09756	3.7
248.10114	0.5
254.16176	0.4
293.10226	2.8
311.11432	1.9
319.07098	0.4
409.12994	6.1
410.13239	1.1
423.77957	0.3
451.01367	0.3
455.13300	1.7
472.16891	1.1
473.26773	0.4
473.32544	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	472.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68611	0.6
59.01371	3.7
60.75794	0.6
61.98515	1.2
61.98832	23.0
71.01384	2.4
71.05026	1.2
72.99309	1.0
83.31023	0.7
85.02965	1.7
101.02471	1.0
109.03030	0.5
109.76157	0.6
113.02444	1.6
132.02240	1.3
133.02957	21.3
134.03348	0.8
135.04510	2.3
149.02426	1.6
150.03282	3.1
161.02443	100.0
162.02789	4.8
174.03271	1.0
175.03993	1.1
179.03531	0.6
190.06305	0.9
191.07167	0.8
200.04803	1.2
201.09242	1.0
203.07123	2.7
215.07181	1.0
229.08681	3.5
247.09738	6.6
307.20554	0.8
365.13916	1.9
391.26498	3.8
407.29758	3.1
409.12881	8.3
409.27618	1.3
410.13541	1.0
455.32004	1.7
457.29596	2.1
469.52313	0.7
471.34967	19.3
472.35492	19.9
473.27573	1.7
473.32730	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	472.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98883	0.4
59.01384	2.3
61.98833	24.8
64.14274	0.3
71.01394	3.1
71.04988	1.0
71.65652	0.5
73.02946	0.6
76.56612	0.3
83.05032	0.3
85.02933	1.1
95.01353	0.5
97.06582	0.8
99.00842	0.4
101.02435	0.8
109.02931	0.5
113.02452	3.3
122.74487	0.3
130.37888	0.3
132.02174	1.1
132.26241	0.3
133.02957	22.6
134.03287	0.5
135.04512	1.8
149.02441	0.5
150.03163	0.8
161.02444	100.0
162.02782	6.0
174.03212	0.4
179.03517	0.5
190.02748	1.2
201.09236	1.1
203.10963	0.4
205.08800	0.4
217.08670	0.5
218.09412	2.0
219.10269	0.7
229.08704	1.7
233.15514	0.7
241.93176	0.3
243.13857	0.8
247.09734	7.2
248.10150	0.4
257.15622	1.2
295.06342	0.4
311.05453	0.3
314.20474	0.3
365.14178	1.6
407.29410	0.4
409.12915	9.8
409.17938	0.7
410.13525	1.3
453.30402	1.1
457.29858	1.0
471.35019	17.8
472.35455	12.3
473.32727	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	472.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	1.5
59.01379	28.9
61.98831	36.9
71.01373	2.8
71.05004	2.4
72.98915	1.3
72.99305	12.7
73.02947	2.5
83.01362	0.9
83.05031	0.8
85.02979	1.1
92.25955	0.8
97.06608	2.9
101.02449	1.4
107.05013	1.0
109.02951	33.8
113.02469	0.9
113.06081	1.6
117.03423	1.2
119.04990	0.9
121.02957	4.4
123.04487	3.5
132.02139	0.8
133.02951	27.8
133.06548	2.1
134.03761	4.8
135.04532	23.3
135.05424	0.5
135.05577	0.8
137.02443	3.0
141.01945	0.9
145.02953	3.2
146.03763	1.7
147.04332	1.0
149.02425	2.3
151.03995	14.0
159.04500	2.1
161.02438	100.0
174.03192	3.8
175.04004	1.1
177.01877	0.9
178.02692	7.0
179.03529	8.7
180.03865	1.0
185.06046	2.4
195.02971	1.0
196.05331	0.8
197.04459	1.1
197.06067	2.1
199.07552	2.1
200.08430	1.8
202.02708	16.5
203.03242	1.7
207.13890	1.6
211.07674	1.2
213.05559	0.9
218.13004	1.1
221.06116	1.1
225.05566	1.5
226.06375	1.5
231.10251	1.3
239.06950	1.4
243.10239	4.8
249.05531	2.3
250.06294	1.6
250.12009	1.0
255.10225	1.4
266.05817	1.8
267.06573	9.3
267.66000	0.9
268.06964	2.8
270.05328	14.0
271.19067	3.4
275.09256	1.4
277.49536	0.9
283.06140	1.2
292.07465	1.8
293.07468	1.2
293.10339	15.9
299.09250	16.5
299.81940	0.8
300.09583	2.4
309.19095	0.7
311.05536	2.4
311.11310	6.4
317.18286	1.0
321.11261	4.7
322.11746	0.9
357.24045	1.3
358.24484	0.9
365.13983	0.9
376.23767	0.8
394.24783	1.8
405.27957	4.4
406.28229	5.5
409.12915	79.0
410.13177	11.4
423.29187	3.8
424.29489	5.5
442.26764	2.3
453.29388	0.9
454.12143	1.4
455.13297	8.9
455.84283	0.8
471.31085	12.3
472.17401	1.7
472.31589	18.6
473.32422	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	472.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85398	0.8
54.21188	0.7
59.01384	4.4
60.99304	0.8
61.98833	50.1
70.37241	0.8
70.37576	2.5
78.95936	0.9
133.02956	25.2
140.01118	0.8
149.02461	6.0
150.03247	6.5
161.02444	100.0
162.02788	5.0
190.06096	0.7
214.04803	1.3
239.35196	0.7
240.73215	0.9
247.00174	0.8
247.09732	0.9
312.06491	1.2
356.12064	0.8
407.33353	1.2
409.12924	11.6
410.13156	1.5
424.33145	0.8
471.34799	33.8
472.35147	31.3
473.35657	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	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63883	0.3
59.01361	0.6
66.93011	0.3
69.55310	2.3
98.20560	0.7
170.17613	0.3
277.28857	0.3
405.25610	0.4
407.33231	0.6
425.34143	0.7
427.35779	9.2
428.36053	1.9
453.33713	8.3
454.34177	1.7
471.34744	100.0
472.35123	17.7
477.18442	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	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
60.99310	6.2
70.24316	1.5
78.40389	0.3
80.02667	0.6
104.84895	0.3
133.22914	0.4
137.09708	0.5
163.84212	0.5
175.04053	1.0
213.34753	0.4
250.45030	0.4
253.39781	0.4
364.90631	0.4
379.29950	0.5
409.34744	11.1
410.35120	1.3
414.23715	0.4
425.34619	0.9
471.34772	100.0
472.35147	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	472.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76895	0.8
59.01380	73.5
60.01745	0.8
60.17311	0.9
61.98831	100.0
69.49691	2.2
69.50115	5.1
71.01384	3.8
71.49626	0.8
72.99303	2.4
73.02943	3.0
85.02987	0.9
86.98754	1.0
89.02422	1.4
99.00925	1.2
101.02454	5.9
113.02460	2.4
133.02937	2.9
134.03754	1.7
135.04523	10.5
136.04852	4.0
141.01947	2.1
144.29474	1.0
148.05276	7.2
151.04121	1.6
161.02452	14.2
161.04472	1.6
163.07645	10.1
178.02751	0.9
179.03513	7.8
180.03816	2.8
211.07587	1.0
212.08028	2.1
267.06708	1.5
275.09290	1.4
293.10211	3.6
311.11224	1.2
473.23792	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	471.3474
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01377	1.0
59.12750	0.1
61.98829	1.1
63.54195	0.1
71.01357	0.6
71.47673	0.1
73.02950	0.1
77.53934	0.1
78.10571	0.1
82.05659	0.1
83.01373	0.1
85.02943	0.3
87.04513	0.1
101.02460	0.2
113.02463	0.5
119.05028	0.1
133.02943	0.6
135.04529	0.4
145.02936	0.1
150.03165	0.1
161.02446	2.5
161.04546	0.2
164.10387	0.1
165.44624	0.1
179.03479	0.1
223.16989	0.2
252.90907	0.1
275.74893	0.1
291.71341	0.1
306.36014	0.1
311.22205	0.3
339.04904	0.1
409.13022	0.3
427.32187	0.4
441.30466	0.1
453.29935	0.2
468.52167	0.1
471.34811	100.0
472.35156	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	471.3479
Annotation	3beta,22beta-Dihydroxyolean-12-en-29-oic acid
Peak:m/z	Relative Intensity
59.01391	3.3
60.99310	16.8
61.98836	14.8
68.31419	0.7
68.83720	0.6
69.03455	11.7
71.05028	4.1
76.98804	1.2
80.02695	1.8
85.02956	0.8
86.55806	0.5
118.14206	0.6
133.02951	5.7
134.03810	0.6
137.09709	3.0
149.02451	1.1
149.09720	1.8
150.03242	2.9
156.59125	0.6
161.01080	1.5
161.02443	27.2
210.19745	0.6
338.18829	1.4
359.29556	1.0
365.89603	0.8
373.25070	0.7
375.26959	2.6
377.28345	2.1
391.30096	14.8
392.30579	1.9
393.31836	1.5
399.29016	1.7
400.29562	0.7
405.31952	1.7
407.33197	100.0
408.33566	19.5
409.12915	3.1
409.34833	10.7
410.35229	1.4
411.32837	0.9
419.25864	0.9
421.23505	0.8
421.31445	1.1
423.32681	2.8
425.30325	0.8
427.35977	6.1
428.36124	0.9
435.29160	1.2
437.30563	2.5
441.33685	5.9
442.34262	0.9
451.32184	1.8
453.34348	20.3
454.34433	4.0
455.27573	1.0
471.35300	82.0
472.35699	15.1
485.32657	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	471.348
Annotation	Hispidone
Peak:m/z	Relative Intensity
60.99306	1.6
61.98829	5.2
66.22970	0.4
70.05082	0.9
70.05484	0.8
80.84319	0.3
83.05031	1.0
97.06577	0.9
98.20525	0.5
100.37945	0.4
133.02977	2.5
150.03185	1.0
160.91249	0.4
161.01089	0.5
161.02437	11.1
171.37599	0.4
269.07581	0.4
373.27472	0.5
377.28250	0.6
391.30099	1.5
393.31772	0.4
399.32700	0.4
407.33185	13.3
408.33463	2.5
409.12872	1.0
409.30817	1.8
411.32745	3.2
412.33170	0.5
420.52039	0.4
423.32635	0.6
425.34354	2.5
427.35931	2.3
428.36340	0.6
441.33652	0.5
453.33719	1.2
471.34787	100.0
472.35141	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26538	0.4
55.46911	0.5
55.60968	0.4
70.31168	1.4
126.19604	0.4
131.10323	0.4
159.39212	0.4
178.93059	0.5
194.31607	0.4
232.88132	0.4
321.39340	0.4
370.99854	0.5
471.34784	100.0
472.35123	19.9
472.42065	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	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84270	0.2
52.26070	0.3
59.94538	0.3
65.10826	0.2
70.40946	0.9
75.13748	0.2
78.58578	0.2
89.66179	0.2
93.16537	0.3
97.76943	0.2
103.16692	0.3
147.95158	0.3
163.67159	0.3
165.01102	0.3
205.15886	0.4
249.77522	0.3
279.39590	0.4
377.28333	0.3
407.33130	1.3
425.34399	0.4
471.34793	100.0
472.35123	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	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27208	0.3
63.79280	0.2
68.52505	0.2
98.20607	1.0
101.13104	0.2
159.89235	0.3
210.80464	0.3
272.58224	0.3
471.34775	100.0
472.35110	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38876	0.3
51.67895	0.3
53.39940	0.3
55.12997	0.3
57.01417	0.3
107.44254	0.3
119.67781	0.3
135.17265	0.3
148.83101	0.3
193.80028	0.3
252.98230	0.3
270.53549	0.3
377.28549	0.3
393.31271	0.3
405.31760	0.4
423.32544	0.8
471.34781	100.0
472.35132	21.0
472.42184	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	471.3478
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
65.95278	0.2
70.23223	1.1
71.93407	0.3
98.20672	0.3
100.80883	0.3
116.98603	0.3
301.27924	0.3
304.99161	0.3
471.34781	100.0
472.35123	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	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67587	0.3
69.61190	0.6
69.61593	1.5
86.40468	0.5
142.08711	0.3
146.29518	0.3
182.67334	0.4
227.18454	0.4
242.98155	0.3
286.92743	0.4
352.25113	0.3
372.75836	0.4
420.64096	0.4
471.34775	100.0
472.35101	19.0
472.42035	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37306	0.1
59.01368	0.2
61.98840	0.1
89.52015	0.1
119.28076	0.1
161.02463	0.3
205.15984	0.2
267.16129	0.1
373.25024	0.1
377.28793	0.1
393.31537	0.2
407.33246	1.0
408.33392	0.2
423.32642	0.3
424.32861	0.1
425.34464	0.4
439.32245	0.2
453.29532	0.1
469.33188	0.1
471.34799	100.0
472.35150	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01372	0.9
60.99302	0.4
61.98833	1.4
69.44000	1.8
71.05006	0.4
72.42233	0.2
83.05023	0.5
85.18729	0.2
97.06558	0.3
97.37567	0.2
98.19859	0.4
133.02934	0.9
148.37903	0.2
161.02457	3.3
175.59834	0.2
187.23811	0.2
258.73962	0.2
319.20450	0.3
358.20105	0.2
361.25201	0.3
385.23581	0.2
387.25592	0.3
389.24866	0.9
395.33011	0.2
405.28098	1.0
406.28253	0.3
407.33371	0.5
409.12927	0.5
419.24490	1.0
423.32657	0.7
427.28528	0.7
428.27954	0.3
451.28503	0.9
453.29538	0.5
455.28012	1.9
456.28360	0.4
469.29050	0.4
471.35233	100.0
472.35648	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79989	0.5
62.85107	0.5
63.35298	0.5
67.13453	0.6
67.44333	0.5
71.05022	0.8
97.06565	3.7
98.20628	1.7
184.81256	0.6
227.91408	0.6
268.26947	0.6
375.26773	0.8
389.28543	1.4
391.30008	5.1
392.30777	0.6
405.31653	4.8
407.33206	10.0
408.33618	1.6
423.28812	1.0
441.33725	1.7
442.34625	0.7
451.32190	11.0
452.32523	1.7
453.33722	44.0
454.34152	8.0
454.40219	0.9
471.34756	100.0
472.35083	17.0
472.41901	0.7
481.23099	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	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75776	0.4
60.99319	2.6
71.42770	0.5
82.60578	0.4
86.02417	0.4
97.06580	1.4
100.08925	0.4
103.38407	0.4
137.09747	0.9
143.48705	0.4
180.73035	0.5
186.19768	0.4
222.88231	0.4
257.37198	0.4
273.98767	0.4
303.85675	0.4
389.28467	0.5
391.30069	2.0
397.72672	0.4
405.31653	1.6
407.33167	7.7
408.33691	1.5
421.32043	0.4
425.34363	0.7
427.32074	0.8
439.32144	0.6
441.33755	1.2
451.32037	3.4
452.32596	0.6
453.33719	18.8
454.34048	3.0
471.34790	100.0
472.35132	16.9
472.41953	0.4
498.65121	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18182	0.1
53.80029	0.1
57.03444	0.1
59.01381	0.7
61.29770	0.2
61.98833	0.3
71.01403	0.7
76.68723	0.1
85.02949	0.5
89.02445	0.2
95.01387	0.2
97.03009	0.1
113.02469	1.0
133.02971	0.4
135.04524	0.3
161.02454	1.2
164.04832	0.2
167.05127	0.1
171.47585	0.1
178.92487	0.1
179.03583	0.3
179.07216	0.2
238.53491	0.1
239.95999	0.1
267.14087	0.2
376.54825	0.2
471.34836	100.0
472.35184	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	471.3115
Annotation	Comnostin D
Peak:m/z	Relative Intensity
53.67653	0.3
56.17086	0.3
57.03445	0.7
59.01385	5.3
60.99282	0.4
61.98833	3.0
71.01379	2.3
71.04993	1.4
71.65635	0.4
71.93058	0.4
72.99304	0.5
73.02921	0.7
83.05009	1.5
85.02911	1.4
89.02412	0.6
95.01343	0.4
97.06555	1.2
101.02393	1.1
102.56795	0.3
106.05053	0.3
113.02409	1.3
119.08634	0.7
121.02907	0.4
133.02951	2.5
133.06572	0.5
135.04532	2.3
135.08075	0.5
145.02905	0.6
147.08118	0.7
149.05910	0.4
159.08095	0.6
161.02452	9.7
171.07986	0.4
179.03340	1.0
180.97327	0.3
185.09590	0.7
203.06938	0.5
211.11116	0.4
216.16710	0.4
231.13722	1.1
247.09387	0.5
255.13745	1.3
275.14081	0.4
293.18839	0.5
305.18851	1.2
311.22015	0.8
311.58649	0.3
317.18893	0.4
319.20621	1.9
321.21967	0.5
323.19861	0.6
333.22098	0.9
335.23834	0.4
337.17911	0.4
337.21378	0.5
339.23019	0.6
345.22153	1.9
351.19226	0.6
353.20883	0.7
359.23502	0.9
361.25079	1.2
371.21729	0.4
373.21652	2.2
375.25146	1.0
379.26187	0.7
385.23871	2.8
387.25308	1.0
389.24863	16.6
390.25278	3.2
399.25232	0.8
401.27011	3.8
405.28140	4.4
406.28290	0.7
407.25977	3.1
408.25952	0.8
409.12479	0.7
409.31311	1.6
411.32761	0.6
419.24374	8.4
420.24344	1.3
423.29642	1.7
425.26694	1.2
427.28415	14.7
428.28723	2.0
433.25610	1.1
437.26425	0.9
451.28256	0.4
453.29996	3.9
454.30365	0.4
455.27985	4.8
456.28079	1.0
463.23245	0.6
469.29199	1.2
471.30771	100.0
472.31104	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	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74649	0.3
59.01382	100.0
60.01720	1.0
67.32173	0.3
69.69556	1.8
71.01385	4.0
72.46672	0.3
72.99300	0.3
73.02962	1.3
85.02947	1.5
89.02428	1.4
95.01419	0.4
101.02445	3.1
113.02447	5.9
114.38793	0.3
119.03539	1.0
122.21521	0.3
131.03531	0.7
137.09756	0.3
143.03493	0.6
149.04555	0.6
161.04565	1.9
182.10056	0.3
221.06693	0.4
232.10667	0.3
411.20560	0.5
477.85498	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	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01714	1.3
60.89370	0.3
70.67086	1.2
71.01385	2.5
73.02952	4.2
83.01387	1.1
85.02955	0.4
89.02462	1.1
89.97336	0.4
99.90321	0.3
101.02432	4.1
111.88141	0.3
113.02476	2.2
119.03531	0.8
119.05045	1.2
125.02402	0.4
131.03532	0.7
137.09731	0.8
145.03008	0.5
149.04614	0.6
161.04579	1.4
163.03978	0.7
189.12831	0.4
318.60773	0.4
375.97437	0.4
432.96616	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28294	0.5
59.01381	100.0
60.01735	1.2
69.44823	4.3
69.45159	0.5
71.01389	2.9
73.02943	5.4
83.01383	1.2
85.02948	1.0
89.02451	1.4
94.48096	0.5
101.02439	5.6
108.02194	2.1
109.02962	1.1
113.02464	2.3
119.03473	0.7
137.09776	0.6
143.03525	0.9
149.04634	1.0
152.01129	1.1
161.04572	1.5
179.03735	0.6
189.12946	0.5
267.16064	1.0
376.95920	0.5
471.18280	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	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85829	0.7
52.93875	0.7
57.03441	1.1
59.01382	100.0
60.01707	1.3
61.98830	0.7
66.21157	0.8
69.45135	5.4
69.45546	1.5
71.01390	9.6
72.99306	1.5
73.02951	8.1
74.99099	0.9
83.01393	2.2
85.02950	1.3
87.00871	1.1
89.02435	3.0
96.96004	4.0
98.20587	1.1
99.00887	0.8
101.02440	8.6
101.06087	30.8
107.05059	1.0
109.02930	2.0
113.02440	2.3
115.07658	20.1
118.67964	0.8
118.86129	0.8
118.98101	1.4
119.03475	1.3
129.37065	0.9
131.03445	0.8
133.02982	1.5
134.03720	2.3
135.04527	53.9
136.04851	2.7
141.53320	0.7
143.07101	1.5
146.03757	1.2
147.04480	1.0
159.04480	0.9
161.02411	2.8
161.04529	2.0
163.11235	2.4
163.26266	0.8
179.03499	59.4
180.03804	2.9
185.85318	0.8
203.03424	1.6
207.10271	9.0
207.13849	0.9
211.07518	1.1
225.05574	1.9
249.14992	2.4
267.06638	7.8
268.07266	2.4
283.05966	0.7
290.72171	0.9
297.34317	0.8
303.38962	0.8
311.05460	4.3
312.06372	2.2
369.15549	3.2
453.11707	1.4
453.19553	1.4
471.13211	4.6
471.22256	57.7
472.22510	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	471.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
57.03442	2.4
58.99607	2.1
59.01381	35.6
61.98816	4.9
69.03429	1.9
71.01382	43.9
71.65976	2.0
72.99319	2.1
73.02949	16.7
74.02482	2.0
78.95906	4.5
83.01384	7.8
85.02951	20.8
86.03232	1.5
87.00861	5.4
89.02460	9.9
95.01403	2.4
96.95998	5.4
96.96952	6.9
97.02927	2.5
99.00877	8.3
99.92567	1.5
101.02446	39.0
101.22684	1.6
102.98604	5.9
104.98182	7.9
104.98846	1.3
105.03448	1.8
109.02946	3.3
111.00865	3.4
113.02441	17.2
114.93368	3.8
116.92909	2.5
117.09254	2.0
123.04515	13.5
125.02433	8.5
133.02945	6.4
135.04530	3.3
143.03520	1.7
149.04454	1.3
149.06061	2.0
153.01968	2.0
153.05585	18.1
159.02972	4.4
161.02454	2.3
161.04572	17.4
165.00072	2.0
177.00450	3.0
177.01936	52.7
178.02255	1.9
179.03477	2.0
245.56613	1.7
279.14484	100.0
280.14774	7.9
283.04871	1.9
285.04596	8.2
312.14359	2.1
404.26028	1.7
411.18698	70.2
412.19125	7.8
471.11429	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	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85829	0.7
52.93875	0.7
57.03441	1.1
59.01382	100.0
60.01707	1.3
61.98830	0.7
66.21157	0.8
69.45135	5.4
69.45546	1.5
71.01390	9.6
72.99306	1.5
73.02951	8.1
74.99099	0.9
83.01393	2.2
85.02950	1.3
87.00871	1.1
89.02435	3.0
96.96004	4.0
98.20587	1.1
99.00887	0.8
101.02440	8.6
101.06087	30.8
107.05059	1.0
109.02930	2.0
113.02440	2.3
115.07658	20.1
118.67964	0.8
118.86129	0.8
118.98101	1.4
119.03475	1.3
129.37065	0.9
131.03445	0.8
133.02982	1.5
134.03720	2.3
135.04527	53.9
136.04851	2.7
141.53320	0.7
143.07101	1.5
146.03757	1.2
147.04480	1.0
159.04480	0.9
161.02411	2.8
161.04529	2.0
163.11235	2.4
163.26266	0.8
179.03499	59.4
180.03804	2.9
185.85318	0.8
203.03424	1.6
207.10271	9.0
207.13849	0.9
211.07518	1.1
225.05574	1.9
249.14992	2.4
267.06638	7.8
268.07266	2.4
283.05966	0.7
290.72171	0.9
297.34317	0.8
303.38962	0.8
311.05460	4.3
312.06372	2.2
369.15549	3.2
453.11707	1.4
453.19553	1.4
471.13211	4.6
471.22256	57.7
472.22510	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	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
70.23249	21.4
71.01372	20.7
73.02941	15.6
80.96509	11.8
85.02942	10.1
87.00867	9.4
89.02448	5.8
101.02438	12.1
113.02438	16.2
131.04980	5.7
138.06830	9.0
147.04509	57.3
152.08392	22.3
153.09213	55.2
157.38208	4.6
161.04541	17.5
161.06055	14.3
177.09145	5.7
179.05579	14.2
205.12306	14.3
223.13458	9.0
320.21011	5.2
323.10196	7.9
367.17630	39.1
384.57593	5.1
471.15204	19.1
472.18301	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47324	1.7
59.01380	66.5
62.45923	1.7
69.74096	2.1
69.75433	11.9
71.01380	16.7
73.02950	12.4
78.95908	3.7
83.01391	4.6
85.02969	7.2
89.02464	4.0
93.21254	1.8
97.02947	1.8
97.06594	4.3
99.00894	3.1
101.02456	14.6
109.02949	4.7
113.02435	6.0
118.03326	6.0
119.05068	3.8
123.04488	5.8
125.06011	2.1
127.14227	2.0
132.02161	3.6
134.03740	4.6
135.04494	2.2
138.06897	3.0
145.03014	2.2
147.04527	3.7
151.07643	5.3
152.08382	7.4
152.99533	4.0
153.01900	3.1
153.09209	28.5
160.01620	11.7
161.04651	2.4
161.06122	2.5
163.03998	4.7
175.03996	14.3
179.03456	3.9
189.05544	2.0
193.05054	7.7
199.13412	3.3
203.14427	6.1
205.12318	9.9
207.10191	2.6
221.15422	3.7
223.13322	5.6
225.11343	4.7
235.06067	5.9
243.12361	4.4
267.15994	100.0
268.16238	5.4
309.73291	1.8
367.17505	3.9
385.18488	2.0
397.11292	14.5
398.11505	2.3
471.15790	15.8
472.16528	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	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59912	5.1
54.28357	4.3
57.25973	4.7
58.51008	5.5
59.01384	91.9
71.01382	40.5
71.62246	4.3
71.62633	6.1
72.99323	10.3
73.02948	43.9
78.66050	4.3
79.95728	9.8
80.96525	19.8
83.01392	9.5
85.02959	9.0
87.00855	6.9
87.84466	5.0
89.02457	15.6
96.96019	7.8
99.00883	6.1
99.92582	27.8
101.02448	41.1
108.02184	12.9
109.02948	11.9
113.02462	13.6
115.92096	24.5
116.92870	100.0
117.03444	4.5
117.92850	6.7
119.03455	10.4
121.02963	7.6
123.04568	7.0
128.03548	6.7
132.29730	4.6
134.03766	6.0
135.04530	71.2
137.00662	21.8
137.02409	10.6
145.02907	10.6
147.04546	39.3
149.04631	5.4
151.04016	15.7
151.99387	16.3
152.01149	14.2
153.01941	7.6
161.02440	13.0
161.04585	12.2
161.06102	18.7
165.00133	35.5
165.79971	4.6
167.01738	17.2
177.09282	6.7
179.03499	52.0
208.99109	24.7
211.00732	14.7
214.33247	4.4
217.09290	4.5
229.01747	14.3
267.16034	13.1
471.02283	13.8
471.15567	28.9
472.18127	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	471.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54868	0.2
59.01379	11.2
61.98824	0.2
62.74331	0.2
71.01376	1.6
72.99311	0.5
73.02954	0.8
74.55892	0.2
83.01414	0.3
85.02920	0.4
87.00866	0.2
89.02444	0.9
89.03982	0.2
93.03462	0.3
101.02431	0.9
109.02955	0.3
113.02444	0.8
117.03466	29.4
118.03803	1.0
119.03593	0.2
119.05026	6.7
120.05366	0.5
121.02987	0.4
133.02957	0.2
135.04536	2.5
136.04883	0.2
145.02954	100.0
146.03282	4.7
161.02507	1.0
161.04573	0.2
162.03056	0.2
163.04007	9.0
163.05382	0.5
164.04369	0.3
171.03082	0.2
179.03500	2.0
222.71384	0.2
243.60687	0.2
267.06635	0.5
267.15445	0.2
284.06836	0.2
290.26883	0.3
311.05658	0.4
368.27567	0.2
381.13055	0.2
411.14575	3.2
412.14828	0.5
429.15704	0.4
437.30695	0.3
471.16571	24.3
471.25226	2.2
471.31305	1.0
472.16998	4.0
472.24115	0.3
472.25824	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	471.1659
Annotation	Ananolignan B
Peak:m/z	Relative Intensity
51.36054	0.4
58.00585	0.3
59.01382	11.8
61.98819	0.4
68.99816	2.9
69.55970	2.7
71.01365	2.7
72.99313	0.4
73.02910	0.5
83.01382	0.4
85.02956	0.9
89.02451	2.7
93.03461	0.6
101.02455	1.4
113.02454	1.3
115.05489	0.8
117.03468	31.7
118.03812	0.6
119.05028	17.1
120.05372	0.5
121.02974	0.9
133.02963	1.6
134.03729	0.7
135.04532	24.5
136.04861	1.3
143.05032	21.7
144.05382	1.2
145.02959	100.0
146.03299	4.6
161.02423	2.3
161.06076	1.9
163.04015	10.4
164.04347	0.4
179.03505	18.7
179.06984	0.8
180.03870	1.2
187.04018	36.0
188.04350	2.3
205.05084	1.6
223.06046	2.1
265.07108	0.5
307.08328	0.8
309.09863	0.4
351.10617	0.4
374.34213	0.4
405.27939	1.0
410.91803	0.4
411.14471	5.6
412.14774	1.2
429.15414	3.0
471.16626	34.3
471.30865	3.0
472.16907	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	471.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01382	13.0
62.99619	0.4
67.10439	0.3
69.35782	2.7
71.01381	2.8
72.99305	1.4
73.02962	0.5
83.01435	0.4
83.17750	0.3
85.02945	0.9
89.02455	1.4
101.02431	1.1
113.02464	0.8
113.06087	0.6
117.03467	29.3
118.03816	1.3
119.05026	7.0
121.02980	0.3
133.02943	0.9
134.03734	0.9
135.04532	16.3
136.04791	0.5
145.02954	100.0
146.03287	4.9
147.04507	0.4
161.02466	3.1
163.04019	9.9
164.04311	0.4
178.02724	0.5
179.03496	15.4
180.03871	0.8
291.19711	0.9
309.09927	0.7
357.24307	0.5
411.14462	2.1
412.14560	0.5
429.15482	0.7
429.25040	0.9
470.33578	5.0
471.16714	17.7
471.26089	2.7
471.34354	9.1
472.17081	3.1
472.35080	0.6
480.95166	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	471.1513
Annotation	Sibirioside A
Peak:m/z	Relative Intensity
55.01880	1.2
57.03447	1.7
59.01379	18.9
61.98829	1.9
67.56985	1.1
69.03472	1.2
71.01388	15.8
72.99307	2.7
73.02950	5.0
75.00853	1.0
78.98615	1.3
79.95749	1.4
80.96516	13.3
83.01395	2.8
84.59386	0.9
85.02959	18.2
87.00407	1.3
87.00866	7.3
89.02445	3.4
93.03466	1.2
94.98077	3.8
95.01446	1.0
95.05010	1.6
96.96025	1.2
97.02975	2.0
97.06600	4.0
99.00879	3.3
99.92568	1.0
101.02444	8.7
108.02199	1.8
109.02943	3.2
111.45224	1.1
113.02447	9.4
115.05537	4.5
117.01918	1.2
117.03476	1.9
118.03320	1.8
119.03484	3.6
119.05009	4.5
121.02940	1.0
125.02445	6.0
131.05040	6.9
132.02176	3.2
133.02954	2.9
133.06612	6.3
134.03751	10.5
135.04506	2.2
137.02423	2.4
143.03468	2.4
145.02888	1.5
145.06570	2.5
147.04527	100.0
148.04834	5.5
148.99161	1.5
149.06064	2.8
152.01125	2.9
152.98605	1.3
159.06622	3.4
160.01648	10.7
161.02493	1.6
161.04579	9.9
161.06059	66.7
162.06439	3.9
163.04047	2.8
164.04337	1.6
164.98573	2.4
173.06097	2.6
175.04051	10.7
175.07530	1.0
176.04735	4.4
178.02631	1.6
179.03453	1.6
179.05603	11.1
189.05569	26.4
190.05904	1.0
191.07159	7.2
193.05058	13.8
205.12292	2.0
207.06595	3.1
219.06584	2.2
225.00633	5.1
235.06133	24.2
249.07730	4.1
265.07178	8.0
267.16013	6.5
295.08246	13.1
309.09695	1.4
323.09891	7.3
325.07150	1.7
355.09979	1.5
375.96640	1.1
390.99255	4.6
427.16125	2.6
471.15302	32.6
472.15515	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	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81578	1.2
57.03434	2.0
58.02979	2.4
59.01381	30.9
61.98846	2.9
69.03452	2.0
71.01386	19.8
71.64805	2.1
72.99312	2.9
73.02946	5.9
78.98574	1.2
79.95739	3.7
80.96516	25.6
83.01389	4.7
85.02956	24.7
86.37297	1.1
87.00880	10.9
89.02454	7.2
93.03467	2.9
94.98093	7.1
95.01415	1.4
95.05031	2.4
96.96019	2.1
97.02983	2.4
97.06603	6.8
99.00887	4.3
99.04482	1.4
101.02458	13.2
102.98302	1.2
108.02189	3.9
109.02940	4.3
109.89933	1.2
111.22627	1.2
113.02471	9.5
115.05549	2.9
116.92901	1.6
117.03489	1.6
119.03521	6.5
119.05031	5.4
120.05360	1.3
122.03732	1.7
123.04514	4.0
125.02450	7.4
131.05058	9.4
132.02164	3.3
133.02945	2.4
133.06641	6.6
134.03749	14.1
134.97461	1.4
135.04482	5.1
137.02454	3.9
137.06067	1.5
139.07634	1.2
142.69797	1.1
143.03561	2.6
145.02971	3.4
145.06581	3.9
147.04523	100.0
148.04919	5.5
148.99126	1.9
149.02444	1.6
149.06065	6.8
152.01151	3.1
152.98616	2.4
153.01926	2.6
153.77768	1.3
159.06647	6.7
160.01657	18.1
161.02408	2.2
161.04591	12.6
161.06056	74.3
162.06444	2.6
163.04024	4.3
164.98631	5.3
173.06038	2.8
175.04007	18.0
176.04749	6.8
177.01949	2.9
178.02744	2.0
179.03421	1.8
179.04169	1.6
179.05634	11.6
183.06764	1.6
184.14082	1.2
189.05579	31.8
191.07156	11.5
192.04214	1.6
193.05058	21.8
201.05608	1.4
207.06656	5.3
217.05083	1.5
219.06615	1.7
221.06715	1.4
225.00726	6.8
227.13895	1.4
235.06097	31.2
236.06447	1.6
243.08876	1.5
265.07166	13.6
267.15952	6.4
295.08246	17.3
299.04321	1.3
323.09802	11.5
325.07050	2.3
355.10358	2.7
375.96994	2.3
390.99097	6.6
427.16049	2.6
471.15366	53.2
472.15717	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	471.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.9
61.98837	2.2
71.01385	1.2
72.99315	0.6
73.02944	0.9
78.35045	0.2
85.02985	0.3
85.71388	0.2
89.02457	0.6
91.05529	0.4
101.02446	0.9
101.29529	0.2
102.97097	0.2
107.05032	1.1
109.02944	0.8
113.02488	0.4
117.03413	0.5
133.02971	1.1
134.03746	3.6
135.04529	98.4
136.04851	4.3
137.02478	0.3
145.02965	0.6
146.03661	0.4
147.04529	0.5
159.04503	0.4
161.02477	1.8
162.02809	0.3
163.04071	0.4
178.02757	0.3
179.03500	100.0
180.03841	5.4
197.04634	0.3
203.03593	0.3
211.07642	0.4
225.05551	0.6
239.07111	0.2
267.06647	2.6
267.16135	0.4
268.07281	1.3
283.06134	0.4
311.05542	1.5
312.06372	0.6
313.07196	0.3
350.29797	0.2
417.24493	0.2
419.24371	0.7
453.11816	0.9
471.12686	0.7
471.22195	0.4
471.31314	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	471.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73438	0.2
55.13135	0.2
59.01379	14.9
61.98830	0.9
71.01391	1.2
72.99319	0.2
73.02952	0.9
74.99055	0.2
80.08131	0.2
82.57707	0.2
83.05031	0.8
85.02964	0.3
89.02443	0.7
91.05546	0.4
97.06575	0.4
101.02457	0.6
101.06036	0.2
107.05036	1.0
109.02961	1.4
113.02429	0.3
117.03468	0.3
118.98066	0.4
119.03514	0.3
133.02966	0.8
134.03760	3.3
135.04526	93.9
136.04854	4.3
137.02423	0.4
143.63480	0.2
146.03758	0.3
147.04535	2.6
150.03140	0.2
153.01953	0.3
159.04492	0.8
161.02466	1.1
161.04582	0.2
162.02705	0.2
178.02783	0.4
179.03493	100.0
180.03836	5.9
182.05205	0.2
198.06836	0.4
211.07625	0.4
222.06831	0.2
225.05519	0.5
235.20285	0.2
239.37585	0.2
249.14952	4.0
250.15279	0.4
253.05322	0.2
267.06610	2.3
268.07214	0.9
283.06058	0.3
310.05362	0.2
311.05573	1.0
312.06235	0.8
323.07742	0.4
365.13260	0.2
369.19180	0.2
411.20361	0.3
453.11679	0.7
471.06491	0.4
471.12906	6.4
471.21365	0.6
472.13358	0.9
472.22699	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	471.1146
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.91537	0.1
59.01369	1.0
61.98834	3.0
69.78648	0.4
69.79068	0.7
71.01387	0.7
72.99290	0.2
73.02967	0.2
74.02489	0.4
74.05798	0.1
75.00894	0.2
78.34276	0.2
79.95734	0.2
81.03455	0.5
83.01389	0.2
84.04559	0.2
85.02953	0.4
87.00871	0.4
89.02448	0.3
89.03967	1.8
93.03468	0.4
96.96004	0.7
98.20564	0.4
99.92590	0.3
101.02425	0.3
102.98573	0.2
104.98171	0.3
105.03464	3.3
106.03812	0.2
107.27940	0.2
109.02950	0.9
113.02414	0.5
115.92070	0.2
116.92878	0.8
121.02965	0.2
133.02957	8.3
134.03226	0.4
135.04509	0.6
148.01630	0.2
149.02444	1.2
149.06055	0.4
151.04016	0.2
152.01157	0.3
153.01956	1.0
160.04050	0.6
161.02448	0.2
161.04469	0.2
163.88104	0.2
165.00209	0.2
167.03691	0.2
177.01926	100.0
178.02261	5.4
179.03520	0.7
193.04726	0.2
284.05341	0.3
285.04440	0.3
309.12131	0.3
312.14722	0.9
411.18542	0.5
445.08954	0.2
471.11835	1.8
472.13489	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	471.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82641	0.2
51.85442	0.2
54.20139	0.3
58.56367	0.2
59.01378	12.5
71.01382	2.2
72.99286	0.6
73.02942	0.5
73.51087	0.3
76.14429	0.3
85.02954	0.8
89.02448	0.8
91.05556	0.3
93.03507	0.3
101.02448	0.9
107.05041	1.2
113.02467	1.2
113.06108	0.3
117.03462	12.9
119.03532	0.3
119.05024	3.0
123.04514	0.9
133.02943	0.9
134.03738	3.7
135.04521	100.0
136.04848	4.6
137.02477	0.3
145.02950	44.6
146.03262	1.4
147.04559	2.1
159.04576	0.5
161.02478	1.4
163.04004	3.8
175.02277	0.3
178.02693	0.3
179.03499	90.7
180.03830	4.9
267.06540	0.3
267.19553	0.4
291.19766	0.3
323.07715	1.3
357.24341	0.3
399.29590	0.4
405.27841	0.5
411.14529	1.2
411.23810	0.6
423.28726	0.3
427.32043	0.4
427.60831	0.3
429.24774	1.2
429.30118	0.5
438.79025	0.3
443.27933	0.3
453.30060	0.5
461.29025	0.5
470.29617	0.6
471.12283	3.6
471.16766	6.0
471.25812	2.9
471.31097	6.2
472.12390	0.6
472.17636	0.4
472.26105	0.7
472.31870	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	471.1139
Annotation	Clofazimine
Peak:m/z	Relative Intensity
51.01318	0.6
55.06627	0.7
56.37109	0.7
59.01369	2.5
61.98824	1.6
63.80788	0.5
64.37698	0.7
65.03942	0.8
69.03451	1.4
70.77057	0.8
70.77385	1.5
71.01377	6.1
72.64517	0.7
73.02932	2.6
81.03445	2.2
81.33247	0.7
83.01392	2.9
83.05023	4.5
83.39060	0.7
85.02950	5.0
93.03453	9.7
95.01394	2.8
96.96020	2.3
98.19870	0.7
99.00890	1.6
101.02432	2.5
105.77676	0.7
108.02178	52.0
109.02962	40.1
110.03316	1.5
111.00874	2.7
111.04520	9.9
113.02432	2.6
121.02937	1.3
123.00875	2.2
123.04539	0.9
127.04001	1.2
128.03496	1.2
129.05588	2.0
135.04503	1.0
137.02449	7.1
151.03995	2.4
152.01151	62.9
153.01947	24.6
154.02234	1.0
155.03502	2.5
163.03978	1.5
165.01949	1.4
173.04478	1.3
177.01892	1.4
195.97592	0.7
233.09389	0.7
233.98854	0.7
300.10886	1.3
315.07196	19.8
349.54196	0.7
404.15903	1.1
428.98843	0.8
435.08978	1.5
453.10431	8.9
471.11420	100.0
472.11374	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	470.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07918	0.5
55.01891	0.6
57.03445	0.9
59.01382	8.9
61.98829	4.3
66.51955	0.5
69.03443	0.9
69.39365	1.7
69.39791	2.6
71.01375	10.1
71.73775	0.5
72.99309	6.9
73.02953	3.0
73.29497	0.6
77.35345	0.5
81.03468	1.6
83.01379	0.9
85.02945	6.0
89.02477	2.5
93.03465	3.8
95.01392	2.3
98.20580	0.8
98.86113	0.5
99.00884	1.4
99.92528	0.7
101.02438	4.7
108.02177	59.2
108.81384	0.5
109.02967	40.0
109.06570	0.7
110.03280	1.8
113.02422	4.2
116.92869	2.4
117.03455	0.9
117.92845	1.3
119.03535	0.9
119.05039	1.4
121.02951	2.3
122.03722	0.9
123.00861	2.1
123.04527	2.4
125.02464	0.8
126.09208	1.1
130.08745	13.4
133.02917	2.7
134.03763	0.9
135.04535	5.5
137.02449	6.4
145.02948	1.9
147.04521	4.6
149.02451	1.0
149.06111	2.8
150.03264	1.1
151.04025	1.7
152.01158	65.4
153.01950	23.4
154.02257	1.2
154.08740	7.0
159.04485	0.8
160.01590	0.9
161.02483	3.8
161.04510	1.3
161.06052	0.7
162.02901	1.2
163.03998	5.9
165.01915	1.5
167.03464	0.7
172.09807	7.4
174.03188	0.6
175.04007	1.8
177.01874	0.6
177.09268	0.6
179.03482	2.9
187.07697	0.9
187.26195	0.5
189.05699	0.7
193.05054	2.0
195.02988	0.9
197.04515	3.5
201.54060	0.6
203.03447	0.7
218.24895	0.6
219.02837	0.6
231.10094	1.2
237.03972	0.6
267.16049	0.8
273.11066	1.0
291.08923	1.2
291.12039	4.3
297.06143	1.6
309.09766	5.7
315.07205	8.5
316.07434	0.7
342.92938	0.6
350.95178	0.6
411.16254	1.3
470.16681	100.0
471.17212	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	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
69.64725	0.8
69.65125	0.8
94.09129	0.3
98.20576	0.5
103.08544	0.3
112.85148	0.2
160.39032	0.3
255.23399	0.4
264.48141	0.3
291.62219	0.3
295.21664	0.3
469.33206	100.0
470.33569	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	469.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19748	0.3
53.60798	0.4
71.05023	1.7
71.65483	0.4
90.36096	0.4
97.06586	1.1
125.98456	0.4
343.74362	0.4
395.32974	0.6
407.33267	0.6
409.30978	2.9
410.31268	0.6
425.34384	0.7
439.31747	0.5
451.32153	15.1
452.32410	2.3
469.33209	100.0
470.33557	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	469.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62345	0.1
62.47007	0.2
69.34171	1.6
91.84842	0.2
148.61115	0.2
203.84143	0.2
216.66643	0.2
274.07553	0.2
405.31622	0.2
423.32791	0.3
469.33194	100.0
470.33530	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	470.094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59602	1.3
59.01377	11.5
60.99306	13.6
61.98824	1.2
70.96198	1.0
71.01357	2.4
72.12158	1.1
72.99306	4.5
73.02941	2.4
85.02998	1.7
87.00912	1.3
88.98809	100.0
90.18500	1.0
93.03455	2.7
101.02467	2.0
103.36619	1.2
108.02174	1.3
109.02955	3.7
113.02419	2.2
113.64465	1.2
117.03462	15.4
119.05031	87.6
123.04551	1.6
124.39133	1.0
130.08719	1.2
135.04512	3.0
137.02432	2.1
145.02954	61.7
147.04503	1.9
149.06093	2.3
152.01123	1.1
153.01915	4.6
161.02435	3.4
163.04010	80.1
183.06711	1.2
195.80658	1.1
197.04526	1.2
211.04886	1.7
232.21609	1.2
236.11850	1.2
239.09258	1.4
243.38670	1.2
252.96571	1.1
307.08212	30.0
471.12799	19.4
471.18802	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	469.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23324	0.3
58.46692	0.2
60.78347	0.2
69.64929	1.9
94.74673	0.3
269.05209	0.3
305.45798	0.3
377.28574	0.5
393.31494	0.7
407.29614	0.3
423.32620	0.8
469.33188	100.0
470.33545	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	469.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
60.99300	0.3
61.98793	0.3
69.03452	0.9
70.85147	0.4
70.85529	0.5
125.97398	0.2
130.72490	0.2
149.09698	0.3
160.48297	0.2
167.07793	0.3
323.27426	0.3
369.27902	0.9
389.28476	0.3
391.30276	0.4
393.31851	0.3
405.31665	0.6
407.29037	1.2
409.31116	5.7
410.31238	0.7
421.31125	0.4
423.32764	2.7
424.33060	0.6
425.34256	24.4
426.34634	4.5
439.32141	0.7
457.33356	0.5
469.33212	100.0
470.33572	19.2
472.07526	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	469.2957
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
56.30037	0.2
59.01181	0.3
59.01462	0.7
59.76472	0.3
61.98900	0.3
70.86167	0.2
70.86486	0.4
71.01460	0.3
71.05118	2.5
97.06696	0.6
100.89001	0.2
119.08816	0.3
121.06745	0.6
133.03114	0.6
133.06728	0.3
134.05853	0.2
135.04637	0.4
145.06725	0.5
146.07521	0.5
147.08223	0.5
150.16034	0.3
157.06650	0.2
159.08214	0.4
161.02475	1.9
173.06210	0.8
178.06461	0.4
187.07689	0.2
187.11252	1.5
189.09221	4.9
189.12782	1.2
190.09651	0.3
197.09875	0.3
199.07758	0.5
201.09377	0.7
201.12898	0.3
204.11595	0.2
205.12465	0.9
211.11308	0.2
213.12994	0.6
215.10759	14.9
216.11102	1.3
217.12459	0.5
229.12314	1.8
246.52127	0.2
284.17902	0.6
293.98813	0.2
303.17682	0.6
319.20544	1.0
331.20746	0.6
337.21765	3.3
337.25601	0.4
338.22125	0.5
349.21707	3.4
350.22284	0.5
354.45441	0.2
387.23248	0.3
388.24146	0.2
397.23993	0.3
403.26315	1.8
404.26553	0.2
405.24411	0.7
411.93436	0.2
421.27493	33.0
422.27863	5.0
437.27130	1.0
439.28751	0.5
451.28491	3.1
452.28845	0.8
454.27292	0.3
469.29523	100.0
470.29868	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	469.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
59.01630	0.4
61.01715	0.4
61.98812	0.8
71.01369	0.9
71.05020	2.2
83.05025	0.6
97.06588	1.0
113.02422	1.5
121.06612	0.8
133.02936	1.8
135.04485	0.7
146.07372	0.5
147.08133	1.3
159.08125	0.8
161.02432	4.9
169.10188	0.9
173.05998	0.9
178.06332	0.8
179.03458	0.9
185.13339	1.2
187.11281	1.0
189.09186	7.4
189.12813	1.4
190.09578	0.6
205.12148	1.0
213.09393	0.5
213.12860	3.0
215.10759	16.2
216.11086	1.6
217.12276	1.8
225.12775	1.0
231.13853	1.0
297.18494	1.1
297.86841	0.5
337.21765	3.2
349.21704	3.5
350.22037	0.5
403.26309	1.0
405.24255	0.7
421.27475	25.9
422.27881	4.3
437.26703	0.9
451.28336	3.7
452.28519	0.5
469.29526	100.0
470.29831	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	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.10307	0.2
54.09837	0.2
58.00592	0.7
59.01363	0.7
61.98822	0.2
69.37455	1.4
69.37858	0.5
71.01376	0.3
71.05017	0.3
73.02936	0.4
78.65243	0.2
87.42694	0.2
97.06588	1.1
98.19901	0.6
107.33323	0.2
153.09189	0.3
161.02443	0.3
199.65388	0.3
202.79092	0.2
225.06128	0.2
229.14226	0.3
254.35703	0.2
309.65085	0.2
374.25830	0.3
381.27979	0.4
387.30585	0.7
389.28528	3.7
390.28897	0.7
405.31778	0.7
406.28580	3.6
407.29324	1.9
421.26889	0.3
421.31277	2.7
423.32666	8.2
424.33002	1.5
439.28342	1.2
449.30710	0.5
455.31839	0.6
467.31812	1.6
468.32550	0.3
469.33215	100.0
470.33578	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	469.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03442	2.9
58.99607	13.3
59.01374	9.5
61.98833	3.7
69.66511	1.4
69.66912	3.9
71.01389	11.7
73.02970	3.4
75.00854	1.0
82.48720	0.6
83.01415	1.4
85.02950	4.8
87.00372	1.3
87.00880	17.4
87.54885	0.6
88.98809	0.8
89.02434	4.4
93.03452	1.1
95.01373	1.0
97.06623	0.8
99.00882	1.5
101.02453	5.5
102.98600	77.7
103.98940	1.7
108.02199	1.5
109.02960	2.4
113.02442	5.3
114.58527	0.6
119.03510	1.8
119.04996	1.3
120.99646	3.9
126.90576	0.7
129.09198	4.9
135.04514	0.8
137.02388	0.8
141.09212	5.5
143.03471	0.7
145.02934	1.3
152.01196	0.9
153.01913	2.8
159.02977	0.9
161.04550	5.8
179.03511	0.7
179.05586	0.7
187.03947	0.8
194.55833	0.9
195.06557	0.7
205.07185	0.8
249.06126	10.7
250.06506	1.0
283.04932	100.0
284.05295	5.4
354.88138	0.7
375.28409	0.9
416.97296	0.8
469.09982	3.0
469.17743	6.9
470.12238	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	469.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	4.2
58.99590	2.1
59.01087	4.1
59.01381	77.6
61.98822	7.0
66.56245	1.7
69.91696	1.9
70.90504	5.3
71.01384	71.8
72.99292	2.3
73.02949	14.6
73.18039	1.9
74.04361	1.6
83.01372	3.1
85.02934	10.7
88.97116	2.0
88.98795	2.6
89.02448	100.0
93.03480	2.3
94.85078	1.8
98.20405	2.2
99.00907	2.1
101.02441	49.9
102.98592	4.0
109.02892	2.5
113.02441	13.8
119.03469	8.9
122.73762	2.2
125.02448	2.5
131.03510	30.4
137.02490	4.0
143.03452	3.1
149.04559	91.4
150.04771	2.6
153.01923	3.1
161.04570	3.0
165.02008	2.7
179.05626	4.8
181.93486	1.9
186.63411	1.7
187.03906	2.0
191.05591	15.2
277.12936	2.4
283.04898	7.6
293.08734	1.9
349.42828	1.8
385.90680	2.0
391.38535	2.1
409.17105	14.7
446.54498	2.2
469.10007	5.1
469.17194	2.7
469.22946	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	469.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.4
69.58022	5.7
71.01389	3.0
72.99310	68.8
73.02947	2.0
75.00880	0.9
83.36564	1.0
84.08689	0.8
85.02952	1.3
87.00894	0.9
93.03519	1.0
97.06597	6.7
98.20586	1.9
101.02475	1.8
109.02956	2.4
113.02498	1.2
121.02938	6.4
123.04562	4.8
126.90508	1.0
132.02177	4.1
133.02989	2.9
134.03760	6.1
135.04501	3.5
137.02435	2.5
139.04039	1.0
141.01935	1.0
143.03453	0.9
145.02986	1.2
145.47787	1.1
146.03737	4.1
149.06126	1.6
149.09680	1.1
150.03201	2.2
151.04068	1.8
158.03723	1.3
159.04506	6.2
159.08176	2.6
160.01663	13.0
161.02446	7.2
161.06088	1.7
163.07703	1.5
172.05292	10.9
173.06071	16.7
174.06871	8.3
175.04008	20.0
175.07603	7.4
176.04689	3.4
178.02727	6.0
179.03424	1.5
185.09697	1.4
187.04155	4.7
187.07642	100.0
188.07933	6.9
190.06300	4.7
193.05006	3.7
200.04764	1.4
201.05615	5.9
201.09152	3.5
202.06351	18.8
202.09932	4.3
203.07005	1.9
203.10721	8.3
204.04224	2.3
205.08633	4.2
213.09200	9.3
215.07112	1.7
216.07925	1.7
219.10268	17.4
221.11777	1.3
229.08696	1.8
231.10255	48.5
232.10622	4.9
246.05280	1.3
249.11354	1.7
275.09277	21.0
276.09595	2.2
286.54767	0.9
293.10318	80.9
294.10638	8.3
307.11816	0.9
354.55664	1.0
469.33807	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	469.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39685	0.3
59.01394	0.7
71.01389	1.0
78.83216	0.4
87.00902	0.4
89.02457	1.5
92.92816	1.5
93.03461	2.9
94.92509	2.2
108.90202	1.4
110.89952	1.4
112.89625	0.4
121.02966	0.9
124.16370	0.4
124.69299	0.3
125.02449	0.5
126.90514	100.0
128.03587	1.6
137.02426	4.1
139.04018	12.9
140.04350	0.5
168.91434	0.4
179.05542	0.4
189.75209	0.4
195.51439	0.4
284.10077	0.4
293.08890	2.1
352.71054	0.4
433.13428	4.0
469.10397	1.2
470.11426	0.4
470.18222	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	469.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80683	0.4
54.20535	0.4
55.56450	0.4
57.03450	15.6
59.01387	3.7
59.98425	0.4
60.35437	0.4
61.20631	0.4
61.98837	0.7
68.99564	0.5
69.49760	2.8
71.01384	1.1
72.99305	1.7
73.20555	0.5
78.68388	0.4
81.03437	0.5
93.03452	1.2
96.96017	1.9
99.04519	4.9
101.02441	5.5
108.02187	1.6
109.02942	1.3
112.98577	0.4
113.17882	0.4
119.05028	94.0
120.05376	4.0
125.02448	4.3
126.90507	2.1
133.02942	1.3
135.04514	1.7
137.02434	0.8
139.03955	0.5
142.61232	0.4
145.02913	0.7
152.01138	1.1
153.01871	0.8
156.53777	0.4
161.02426	3.0
163.04007	100.0
164.04352	4.1
172.05388	0.5
179.03546	1.0
187.07625	2.2
265.05026	0.5
275.09302	0.6
307.11917	0.5
325.05844	0.7
325.09317	8.2
326.09839	0.7
367.10178	2.1
383.05508	1.7
407.12323	0.8
469.12817	3.9
470.13782	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	469.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62384	0.5
51.54831	0.5
55.72787	0.6
57.03431	0.9
59.01378	9.7
59.92698	0.6
61.98829	3.0
64.70560	0.5
69.03448	1.2
71.01387	6.0
72.99304	2.9
73.02959	3.7
75.00884	0.6
81.03441	2.3
83.01379	1.8
85.02953	4.5
89.02425	1.6
93.03471	4.6
95.01379	3.3
96.96963	0.7
97.02921	0.9
99.92575	2.0
101.02464	3.4
107.05017	1.6
108.02180	60.8
109.02965	36.6
109.06593	9.7
110.03278	1.3
113.02440	2.8
115.92090	1.7
116.92864	11.7
117.03465	1.2
119.05001	1.8
121.02956	1.7
123.00858	2.1
123.04519	3.1
125.02460	1.0
127.07658	10.7
132.02177	0.6
133.02953	2.4
134.03760	0.8
135.04529	7.1
137.02451	8.8
138.02785	0.9
145.02954	6.1
151.03987	1.5
151.07596	1.3
152.01158	69.8
153.01947	23.8
153.05524	0.9
153.09111	0.8
154.02222	0.8
161.02440	5.3
161.04521	1.4
161.06017	0.7
163.03973	2.8
167.07205	0.7
171.06610	2.7
175.04034	1.0
177.05550	1.2
179.03479	2.4
187.07629	0.8
195.06601	0.9
197.04649	0.8
199.07434	0.7
219.06689	0.9
237.05614	1.3
241.05112	0.8
255.08719	1.1
265.04962	2.5
265.14417	1.5
266.05493	1.0
309.04004	1.5
315.07251	3.4
363.12408	1.5
407.11423	2.7
425.14694	5.4
451.12369	6.7
452.12534	0.9
469.13403	100.0
470.13751	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	467.3167
Annotation	alpha-Kudinlactone
Peak:m/z	Relative Intensity
59.02832	0.5
68.56022	0.4
71.65960	0.9
78.95896	5.7
83.05026	11.2
96.96941	0.8
97.06580	1.6
99.73470	0.5
121.92094	0.5
148.24741	0.5
152.99588	8.0
161.02435	1.8
171.00647	2.0
227.03156	0.5
239.20177	10.9
240.20531	1.2
245.02003	0.9
245.04289	11.5
251.07939	0.5
253.21738	1.5
307.24231	1.5
325.13608	0.5
342.22522	0.5
357.25690	0.7
389.28290	0.6
395.29538	2.3
405.31702	2.7
407.29608	2.5
408.29636	0.8
423.32751	0.8
437.30585	5.8
449.30573	17.8
450.30988	2.6
451.28445	0.6
467.24417	7.1
467.31604	100.0
468.24738	1.3
468.31937	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	469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
57.72074	0.3
59.01382	9.7
61.98834	1.1
69.65124	1.5
71.01385	5.3
72.99307	1.9
75.00865	0.3
80.91690	1.5
83.01405	0.6
85.02954	1.3
86.40870	0.3
87.00909	0.4
89.02450	3.1
92.49720	0.3
93.03452	0.3
95.01376	0.4
96.95968	0.3
97.84345	0.3
98.20617	0.4
101.02445	2.8
109.02974	0.5
113.02458	1.4
115.60179	0.2
119.03503	1.1
119.05045	1.0
121.02936	0.6
123.04510	0.4
125.02498	0.5
126.90513	100.0
133.02939	0.4
135.04533	1.1
137.02428	0.6
151.04044	0.5
161.02446	1.2
161.04501	0.3
162.03256	0.7
163.03992	1.3
168.00708	0.3
179.03543	0.5
201.06749	0.5
244.94672	6.4
245.95145	0.3
260.94348	0.4
265.07028	0.4
275.06644	0.5
275.09399	0.4
279.71558	0.3
288.93674	56.8
289.94019	2.9
306.94693	3.0
315.28021	0.3
338.05701	0.3
348.09497	0.3
387.16479	0.3
409.14584	0.7
425.12686	0.3
426.34662	0.3
469.00006	22.7
470.00406	2.6
470.13019	0.9
492.55865	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	467.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49776	1.2
50.71761	1.1
61.98825	2.5
71.66409	2.2
72.56982	1.1
75.94706	1.1
112.89738	1.2
118.34322	1.2
121.00688	1.1
122.24445	1.1
140.40172	1.1
148.12788	1.1
148.60175	1.2
152.73193	1.2
159.67525	1.3
160.77153	1.3
212.00008	1.2
217.15959	1.2
287.20169	2.1
303.20886	1.1
304.20071	1.3
391.26456	5.7
405.27774	2.6
407.29617	3.6
421.31100	83.0
422.31403	15.0
423.32645	4.6
437.30536	2.2
442.19366	1.2
467.31656	100.0
468.32025	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	467.3166
Annotation	alpha-Kudinlactone
Peak:m/z	Relative Intensity
51.30287	0.6
53.03117	0.6
56.58329	0.8
57.17208	0.6
66.57153	0.7
71.05024	1.2
78.95937	0.8
83.05045	0.6
162.89316	0.7
179.68071	0.6
318.36783	0.7
337.09167	0.7
338.18750	0.7
407.29523	1.2
423.32935	1.2
441.77795	0.7
449.30612	11.7
450.30939	2.0
467.31656	100.0
468.31979	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	467.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36852	0.4
59.01366	0.5
66.07631	0.5
69.50559	3.8
78.95921	3.2
83.81249	0.5
109.62743	0.5
126.62897	0.5
152.99571	4.3
167.01132	0.7
171.00650	0.6
239.20157	2.7
239.22188	0.5
245.04297	3.5
253.21756	1.1
278.16443	0.5
367.73560	0.5
391.30228	0.7
437.30597	60.5
438.30856	9.2
467.31622	100.0
468.31998	17.8
481.92300	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	467.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26310	2.4
55.94629	2.2
59.01379	16.8
61.98827	11.8
64.09745	2.5
69.37193	13.7
69.37620	8.8
71.01399	13.4
73.02964	6.0
83.05025	3.3
85.02954	3.0
93.03438	4.2
95.05006	4.0
97.02927	15.0
101.02454	4.1
105.07079	5.3
107.05027	3.7
108.05809	5.7
109.02945	7.6
111.04535	9.4
113.02454	2.5
113.06094	10.3
119.05022	10.0
119.08670	4.9
121.06551	2.7
122.03729	8.1
123.04515	6.9
123.08152	10.0
123.21158	2.4
125.06076	26.3
135.04501	6.9
136.05305	12.4
137.06104	4.1
138.06879	15.5
139.07672	36.5
145.02971	9.5
148.05278	8.1
149.06104	7.2
151.07645	82.6
152.04799	11.3
152.08459	35.1
153.01897	5.3
153.09270	17.9
159.11777	4.7
161.09712	6.9
163.03976	8.9
163.07616	9.1
167.07079	4.1
186.10408	4.4
187.07555	2.6
189.05609	6.5
189.09138	5.2
200.14850	2.7
201.12842	32.8
202.13210	3.2
203.10699	15.7
204.11539	42.7
205.05074	4.1
219.11879	5.4
219.13892	78.3
220.14258	6.5
228.11548	3.5
235.06140	5.2
240.31197	3.1
243.13814	11.5
245.11792	25.1
263.12866	100.0
264.13297	4.4
287.12952	14.1
305.13730	3.4
467.15970	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	467.1923
Annotation	Paucin
Peak:m/z	Relative Intensity
51.22005	3.2
57.03461	4.8
59.01377	17.8
61.98837	15.6
62.65263	3.2
71.01389	11.8
73.02946	7.7
85.02962	6.3
86.69291	3.5
97.02965	11.9
98.19855	8.8
99.97130	4.0
101.02520	3.8
105.07076	5.9
107.05072	7.2
108.05853	11.2
109.02974	16.3
111.04527	12.8
113.02480	4.9
113.06111	9.1
117.03500	4.0
118.79269	3.9
119.05044	8.9
119.08644	3.7
122.03757	13.7
123.08163	8.6
125.06087	23.8
133.02951	4.6
133.06636	3.5
135.04553	8.9
136.05301	10.7
138.06879	15.8
139.07668	42.6
145.02979	16.1
145.06596	3.8
148.05298	8.2
149.06006	3.8
151.07648	89.8
152.01146	7.4
152.04799	12.3
152.08467	44.1
153.01973	7.9
153.05655	3.3
153.09187	14.0
159.11790	4.5
161.02481	7.1
161.06052	5.3
161.09695	7.7
163.04015	10.1
163.07686	18.6
167.07137	8.1
180.41130	3.6
182.90468	3.5
189.05600	8.2
189.09206	5.8
201.12856	37.7
202.13289	5.7
203.10840	21.2
204.11542	49.0
205.11789	4.1
219.13907	91.3
220.14284	11.4
228.11676	4.7
243.13866	11.8
245.11766	21.1
263.12881	100.0
264.13235	8.7
287.12885	22.9
305.14026	7.6
342.72452	3.6
396.89246	3.6
467.15161	5.7
488.71103	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	467.1557
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
53.92303	0.2
59.01091	0.3
59.01381	5.2
60.72287	0.2
61.98829	1.2
65.03952	0.3
71.01385	0.9
71.62884	0.3
72.99301	0.3
73.02952	0.2
85.02962	0.3
89.02452	0.5
92.39851	0.2
93.03458	41.9
94.03799	1.3
100.20554	0.2
101.02451	0.6
108.02171	0.2
109.02921	0.2
110.82704	0.2
113.02436	0.3
114.60853	0.2
117.03479	1.8
119.05050	1.0
123.04556	0.3
123.08128	0.3
125.02404	0.4
133.02965	0.5
135.04517	1.7
137.02444	100.0
138.02774	3.4
145.02951	4.9
153.01907	0.2
161.02446	1.4
162.03221	0.2
163.04002	0.9
169.01428	0.5
179.03575	0.5
185.08165	0.4
187.04071	0.3
197.04596	0.2
242.08342	0.4
267.06610	0.2
269.04340	0.3
329.12372	1.5
347.13416	1.4
425.12772	0.2
467.15002	5.2
468.15387	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	467.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10490	0.6
55.01887	1.2
58.00579	1.2
59.01380	33.4
60.01713	0.9
61.98831	17.9
69.03467	5.2
69.75673	1.9
69.76086	1.9
71.01384	30.4
72.99308	100.0
73.02944	3.9
73.99628	1.0
74.49658	0.7
75.00876	10.1
83.01402	2.0
85.02952	8.3
87.00878	1.3
89.02445	23.6
95.01382	2.0
97.02950	0.8
99.00883	13.9
101.02439	15.0
113.02430	8.4
117.01929	6.5
119.03513	4.5
123.04561	0.8
125.02461	1.8
127.07652	2.3
131.03493	3.8
135.03000	2.7
135.04527	1.3
137.02463	2.1
138.35493	0.7
143.03545	1.4
149.04604	1.9
152.99577	0.7
159.02937	1.3
161.04546	5.3
174.73875	0.7
179.03520	2.6
179.05588	1.7
183.94055	0.7
197.04562	2.1
239.05589	1.0
249.06046	1.3
250.58618	0.8
267.07211	76.6
268.07516	3.4
278.06992	0.7
282.26160	0.7
299.07745	2.2
305.07797	5.0
305.15997	8.2
323.06216	9.6
323.13348	0.9
407.22491	0.8
467.17117	4.1
467.21591	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	467.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01377	10.7
68.99819	1.9
71.01378	2.1
71.64533	2.0
72.99323	1.3
73.02945	2.0
93.03460	3.5
101.02438	2.3
108.02121	2.0
109.02914	1.7
111.39010	1.1
113.02444	2.0
117.03468	33.1
118.03776	1.4
119.05022	21.9
120.05333	1.4
126.33871	1.2
133.02939	2.2
133.70331	1.2
135.04535	10.1
135.33392	1.3
137.02435	10.3
137.61166	1.5
143.05075	7.2
145.02954	100.0
146.03291	4.8
152.01202	1.6
161.02390	8.7
161.04565	1.7
163.02696	2.3
163.04010	31.7
169.01448	2.0
174.47575	1.4
179.03485	3.3
187.04010	23.8
235.11862	2.4
281.08029	1.7
311.05713	1.4
347.17728	1.2
360.71323	1.3
423.16620	32.4
423.28711	1.4
424.16791	4.9
444.20395	1.2
467.18408	1.5
467.28021	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	467.156
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
59.01381	71.5
60.01701	1.7
61.98822	4.8
69.58343	3.3
69.58768	2.9
70.25719	1.1
71.00994	0.9
71.01385	17.3
72.99305	1.5
73.02948	2.0
81.43290	0.8
83.01395	1.8
85.02951	4.6
87.00840	0.8
89.02457	12.5
93.03462	24.3
95.01398	2.5
101.02445	10.3
107.05051	1.5
108.02164	2.6
109.02972	1.6
113.02450	7.4
119.03477	6.2
121.02969	1.4
123.04549	1.4
123.08169	11.6
135.04558	1.9
136.01674	3.6
137.02448	55.3
138.02823	2.6
140.37512	0.8
145.02934	1.0
151.04028	2.5
152.01106	2.1
161.02365	1.1
163.03918	1.1
167.07114	2.2
171.10271	0.9
179.03468	14.2
185.08147	1.5
195.83578	1.0
200.12202	0.8
209.04449	1.6
239.05545	4.9
329.12338	3.3
347.13452	100.0
348.13754	9.8
407.13489	9.9
408.13916	1.0
449.14557	1.8
467.15613	98.2
468.15894	15.3
468.22211	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	465.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27021	0.3
53.59758	0.3
55.01894	0.3
55.84288	0.3
59.01384	8.1
61.37042	0.3
61.98835	2.8
66.77497	0.4
71.01387	3.2
72.99303	0.8
73.02951	1.9
75.00914	0.3
78.35963	0.3
83.01366	0.6
85.02964	0.7
89.02449	1.4
89.03957	0.3
91.82071	0.3
93.03463	0.7
95.01380	0.4
97.42825	0.3
98.19816	0.7
99.00899	0.4
101.02434	2.1
108.02169	1.0
109.02937	1.0
113.02463	1.1
117.03469	29.9
118.03812	1.1
119.05026	9.6
120.05316	0.5
121.02946	0.6
123.04513	0.6
133.02882	0.4
134.03830	0.3
135.04538	2.4
137.02423	0.6
143.05032	2.4
145.02953	100.0
146.03307	5.2
152.01115	1.1
153.01965	0.4
161.02391	1.1
161.04674	0.6
161.06017	0.5
163.04008	12.7
163.05370	0.7
164.04317	0.6
179.03435	0.9
187.04008	3.7
241.05049	0.8
267.06531	0.4
267.16000	0.4
285.04022	1.3
285.12399	0.9
303.13562	0.7
303.21500	0.3
315.07251	0.3
345.97940	0.3
350.45847	0.4
405.15515	0.9
450.08511	0.4
465.17676	28.7
465.26816	6.5
466.18082	4.0
466.27148	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59793	1.3
55.21359	1.5
57.03437	2.4
58.00593	3.2
59.01382	100.0
60.01712	2.1
61.98833	43.5
63.02395	1.4
67.85654	1.5
71.01388	42.0
71.46027	2.1
72.99310	4.5
73.02944	5.1
83.01393	2.4
85.02955	12.9
87.00877	4.4
89.02447	52.0
89.51865	1.4
95.01370	3.4
96.96056	2.1
97.91833	1.4
99.00908	1.8
99.04564	2.1
101.01775	2.0
101.02444	36.2
109.02965	2.3
109.06593	3.2
112.77626	1.6
113.02458	21.7
116.92870	3.5
119.03516	28.6
119.04302	2.4
125.02502	1.6
127.07661	3.4
131.03514	3.1
135.04581	6.6
136.93243	1.7
137.02440	1.5
137.36269	1.4
143.03511	5.9
149.04530	4.2
159.03059	1.5
161.04552	13.2
179.05612	17.0
228.03806	1.5
243.16022	2.0
405.21307	54.4
406.21594	5.9
413.97418	1.5
416.98477	1.4
465.19760	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.9
58.00597	1.2
58.84747	0.8
59.01383	100.0
60.01725	0.9
60.97762	0.8
61.98838	6.3
68.62658	0.9
69.57121	5.4
71.01389	20.9
72.99324	1.7
83.01401	1.9
83.05015	1.0
85.02959	4.0
87.00871	1.3
89.02450	26.4
95.01361	1.2
101.02445	13.8
112.05338	1.0
113.02454	9.4
113.20882	1.0
116.92879	2.1
119.03502	14.1
125.02443	8.1
131.03488	1.5
134.07391	1.7
134.11487	0.8
137.09741	1.0
139.07614	1.4
141.71725	0.8
143.03529	2.6
149.04552	1.5
149.09729	17.3
150.10072	1.1
150.91789	0.9
150.92990	0.9
151.00386	2.6
153.01935	1.9
153.09227	6.0
161.04559	7.5
167.10776	30.2
168.11119	1.1
175.03998	1.6
177.01932	1.1
178.99858	1.6
179.05617	10.0
198.28644	1.0
209.11865	1.0
217.05090	1.0
225.14963	6.1
243.16048	4.9
275.05704	1.3
285.04080	9.8
303.05078	6.5
405.21280	20.4
406.21484	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	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97728	0.2
51.47288	0.3
59.01385	4.4
61.98832	100.0
69.59409	0.5
69.59814	1.5
71.01376	1.7
72.49623	0.3
72.99313	0.7
73.02964	0.4
74.02471	0.3
83.01402	0.3
85.02983	0.6
89.02448	1.7
101.02458	0.7
113.02471	0.5
115.92093	0.5
116.92130	0.5
116.92860	1.9
117.92880	1.2
119.03512	0.7
123.04543	0.5
125.02470	1.1
126.93934	0.4
137.02444	0.3
137.94518	0.3
139.64099	0.3
153.05602	0.3
161.04514	0.5
180.44507	0.3
181.97919	0.3
285.04068	0.6
303.05228	0.7
345.92331	0.3
357.06454	0.3
405.21509	0.5
447.04337	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	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.5
61.98831	100.0
69.59296	1.0
69.59716	0.7
71.01386	1.9
72.99342	0.4
73.02968	0.4
73.17059	0.3
80.28777	0.2
85.02967	0.4
87.00898	0.4
89.02447	1.8
89.75361	0.2
101.02455	1.2
109.02910	0.3
113.02473	0.6
115.92129	0.5
116.92888	1.1
119.03495	0.8
121.86865	0.2
123.04559	0.9
125.02442	0.6
132.15492	0.3
135.04544	0.4
153.05592	1.1
157.35771	0.3
161.04594	0.4
167.10751	0.4
179.05646	0.4
267.07504	0.3
317.86780	0.3
405.21460	1.1
465.20282	0.4
471.99536	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01009	0.3
56.34441	0.3
59.01378	3.8
61.98832	100.0
63.70812	0.3
64.53616	0.3
68.21473	0.3
69.83104	1.8
71.01386	1.4
89.02462	1.0
96.05494	0.4
96.96054	0.3
98.19951	0.5
101.02536	0.4
113.02445	0.5
116.92868	0.5
119.03503	0.7
159.21526	0.3
161.04597	0.3
202.78661	0.4
279.96030	0.3
404.19357	0.4
405.20920	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	464.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	32.6
60.01704	1.5
61.98835	100.0
65.42060	1.3
71.01385	8.6
71.64695	2.5
72.99294	1.5
73.02939	2.8
74.46106	1.3
74.99093	1.3
75.00843	1.3
76.72768	1.4
78.91876	1.5
83.05054	1.4
85.02950	3.5
89.02444	5.2
89.31086	1.1
92.97854	1.2
93.03455	1.6
95.01398	1.2
95.05051	1.2
99.04507	1.8
101.02432	6.0
109.02940	5.3
109.06584	2.6
111.04521	1.3
113.02454	4.0
114.05600	1.9
116.92826	2.3
119.03487	2.0
123.08156	1.8
124.00769	1.5
124.81300	1.3
126.17445	1.2
127.00314	1.9
135.04483	4.1
135.08151	1.3
135.09718	1.4
136.99185	1.5
137.02432	5.7
139.03960	2.3
145.02919	4.7
153.05527	2.3
161.04510	1.8
163.04025	1.3
167.07159	1.9
177.09091	2.0
179.03668	1.5
181.01378	1.6
195.10219	4.9
197.04536	2.0
207.10254	1.2
215.07375	2.1
239.05568	2.6
239.09262	13.0
241.14644	1.5
243.38145	1.3
257.08185	3.3
267.12286	2.0
285.13458	9.6
303.08701	4.5
303.14395	3.2
311.11295	1.3
341.12338	3.8
346.10809	1.1
369.01944	1.3
390.45679	1.2
401.14377	5.4
402.14932	1.4
404.19910	2.7
421.57541	1.9
429.14105	3.9
440.52289	1.3
465.14188	3.7
465.19742	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	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18377	0.7
55.63450	0.6
59.01377	17.5
61.98831	100.0
71.01389	1.3
73.73859	0.6
85.02925	0.7
96.80684	0.6
99.97584	0.6
101.02452	0.8
117.03464	6.3
119.05070	0.8
135.04501	1.1
145.02948	18.5
146.03380	0.7
161.04523	1.1
183.25534	0.7
208.12256	0.6
209.65997	0.8
229.21445	0.7
245.91655	0.6
259.01749	0.7
294.94086	0.7
295.69156	0.7
298.73337	0.6
315.17993	1.9
321.38681	0.6
333.09732	0.8
352.73395	0.6
383.00589	0.6
464.13617	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	463.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91312	0.3
55.01872	1.0
57.03432	1.0
58.00595	0.9
59.01383	29.0
60.01702	0.5
61.98806	0.6
70.95055	0.5
70.95383	0.4
71.01384	13.8
71.05032	3.3
72.01717	0.4
72.97533	0.5
72.99309	2.5
73.02953	2.4
73.06573	0.4
75.00874	0.4
76.85250	0.3
77.52979	0.3
81.58081	0.3
83.01386	1.5
83.05035	0.7
83.46970	0.3
85.02957	4.2
85.06603	0.6
86.00119	0.3
87.00893	1.6
89.02449	8.1
93.03464	0.9
95.01376	1.3
97.02928	0.4
99.00877	0.6
99.04518	0.5
100.46206	0.3
101.02446	8.5
101.06080	6.5
108.02192	0.4
109.02953	0.7
113.02459	4.8
115.07654	1.0
116.87112	0.3
119.03512	3.4
123.04462	0.4
125.02470	0.4
129.09206	0.5
133.02957	0.5
135.04544	2.9
136.04861	1.0
137.02429	1.4
139.11211	0.4
142.57732	0.3
145.02902	0.7
147.04555	0.4
152.01100	0.3
153.01807	0.5
153.12881	1.7
156.06636	0.4
161.02460	1.7
161.04533	0.5
175.03970	0.6
179.03528	1.4
180.03778	0.4
186.11325	0.4
197.04562	0.4
214.66959	0.4
255.19681	1.8
257.12955	0.7
283.19150	1.4
285.20746	1.0
297.20618	0.6
301.06439	0.4
301.20197	29.2
302.20432	2.5
303.21780	0.8
343.21307	0.7
359.07730	0.4
371.95798	0.3
391.91592	0.4
445.24216	0.5
463.25500	100.0
464.25839	14.2
486.77399	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	464.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.9
61.98835	1.4
65.88371	0.1
68.01423	0.7
69.59137	0.8
71.01392	0.4
72.99306	0.3
73.37386	0.1
78.95902	0.3
81.03500	0.1
85.02953	0.2
89.03973	0.2
93.03460	1.5
97.02970	0.2
98.20615	0.3
109.02946	0.2
116.05083	1.1
117.03470	32.4
118.03786	1.3
119.05029	5.9
120.05365	0.3
121.02956	2.6
123.04530	0.8
131.03775	0.5
131.04868	0.2
133.02953	0.5
133.06590	0.2
134.03760	0.2
135.04506	0.4
143.05046	1.4
144.05383	0.1
145.02957	100.0
146.03296	5.0
146.04469	0.2
147.04526	1.2
152.99619	0.3
158.03702	0.2
158.06064	0.2
159.04541	0.5
161.02458	0.4
161.06059	0.4
162.03244	1.4
163.04019	4.9
164.04323	0.3
169.06575	0.7
171.04422	0.2
171.08127	0.2
172.05286	0.2
172.62517	0.1
173.06070	1.0
179.03438	0.2
185.06062	0.8
187.04015	1.6
187.07643	0.3
197.06056	0.2
211.07515	0.1
213.05603	0.2
215.07054	0.2
217.05045	0.4
227.07121	0.3
229.08617	0.8
249.09383	0.2
260.10843	0.1
273.07666	0.4
275.10849	0.2
333.09784	2.3
334.10291	0.2
336.21262	0.2
358.09290	0.3
404.11249	1.0
422.12396	0.7
423.12979	0.3
437.12509	0.2
464.13504	10.6
465.13898	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	463.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
56.38251	0.4
57.03437	1.0
59.01383	100.0
60.01706	1.0
60.99322	0.6
61.98825	4.1
64.30476	0.4
68.60693	0.4
69.35943	4.6
71.01384	10.2
72.99323	2.4
73.02940	3.6
74.02472	3.9
75.00896	0.6
78.95921	0.7
83.01394	2.6
85.02950	5.8
86.00109	0.6
87.00906	0.6
88.98808	4.7
89.02437	0.8
93.03451	0.6
95.01397	0.9
96.81029	0.6
98.20602	1.1
99.00901	1.4
101.02452	9.3
107.49120	0.5
109.02966	0.7
111.00908	0.7
113.02452	4.9
118.54802	0.4
119.03537	0.6
123.04501	1.1
133.02997	1.0
135.04532	3.6
136.04889	0.5
137.02455	0.6
143.03526	0.6
145.02977	0.7
149.02499	0.7
151.03935	1.0
152.99609	1.2
159.02988	0.6
161.02454	3.3
161.04578	1.7
179.03435	2.1
197.04552	1.7
199.17033	0.7
223.81013	0.5
249.75029	0.5
361.22244	4.2
362.22537	0.5
403.23038	2.4
404.23801	0.5
421.24396	3.7
445.24438	5.8
446.24811	0.7
463.25510	90.5
464.25818	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	463.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16446	0.4
55.01877	0.6
57.03435	0.9
58.00596	0.9
59.01380	24.4
61.98795	0.6
71.01384	12.9
71.05022	2.7
71.41408	0.8
72.99306	1.7
73.02942	2.1
73.06586	0.5
75.00865	0.6
75.26803	0.5
76.17088	0.5
83.01389	1.8
83.05037	0.9
84.02151	0.6
85.02959	3.9
87.00877	1.0
89.02449	8.7
95.01393	0.6
99.00880	0.8
101.02446	9.2
101.06072	4.9
108.02177	1.9
113.02454	4.8
113.77250	0.4
115.07628	0.5
119.03497	2.9
119.05067	0.4
123.04581	0.5
135.04539	1.6
152.01126	0.8
153.01962	0.7
153.12810	1.3
161.02406	1.1
190.71350	0.4
207.61742	0.4
237.18701	0.9
255.19661	1.9
283.19257	1.5
285.20615	0.6
301.20193	23.5
302.20450	2.8
445.24295	0.6
455.98834	0.5
463.25488	100.0
464.25760	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59837	0.4
56.88120	0.6
57.03427	0.7
58.00573	0.6
59.01090	0.9
59.01379	15.2
60.01722	0.5
61.54227	0.4
61.98828	6.2
71.01387	6.6
72.99308	2.0
73.02945	2.2
75.00882	1.5
80.02665	1.0
81.03470	0.9
83.01392	0.8
83.05030	5.5
84.02155	1.2
85.02948	2.5
87.00887	1.6
88.04052	1.0
88.98804	0.9
89.02451	5.4
89.23824	0.4
93.03450	2.5
95.01361	0.8
95.05015	0.8
96.00948	0.7
97.06598	0.6
101.02447	6.0
103.85949	0.6
108.02174	8.2
109.02950	2.3
113.02452	2.3
119.03473	0.9
119.05045	2.5
121.02972	0.7
123.04502	0.6
125.02415	0.7
127.07675	0.8
133.02940	1.2
135.03043	0.6
135.04523	4.5
135.08090	0.7
136.04834	1.1
137.02443	5.3
140.87248	0.5
143.03505	0.7
149.02478	0.8
151.00366	0.6
151.03998	1.1
152.01149	4.0
153.01978	2.7
159.06674	0.7
161.02455	3.6
161.04533	2.2
162.02798	0.6
163.03989	1.5
163.11278	3.3
165.01941	0.6
165.12817	1.8
172.07872	0.5
179.03455	2.0
179.05666	1.0
191.10857	0.9
207.35106	0.6
209.11826	100.0
210.12169	8.1
212.04797	0.6
227.12881	17.2
228.13208	1.1
235.08279	0.6
242.08186	1.6
243.02940	0.7
243.08534	0.7
243.92592	0.5
253.09288	12.3
254.09706	0.7
259.02466	0.6
260.25006	0.5
271.02432	1.3
283.10876	1.0
284.03424	0.7
285.01120	0.7
285.04074	2.0
286.04150	0.5
287.04691	1.2
300.02789	1.4
347.17047	2.3
420.69345	0.6
428.18417	1.5
445.20670	1.2
463.12949	6.9
463.25479	1.7
464.12393	1.1
464.18539	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56981	0.6
57.03450	1.2
59.01382	100.0
60.01717	1.0
61.98833	28.5
62.79771	0.5
70.19736	2.6
71.01385	11.3
72.99345	0.8
73.02956	1.9
75.00876	1.0
81.75985	0.6
83.05017	6.2
85.02956	3.4
85.40767	0.7
87.00913	1.4
89.02451	10.5
95.01397	0.9
96.96007	1.0
97.27357	0.5
98.20026	0.8
99.00880	1.0
101.02448	6.6
109.02920	0.6
109.06610	0.6
113.02457	4.4
116.92871	1.4
118.30635	0.6
119.03508	4.7
123.08166	0.9
125.06084	1.2
127.00464	0.8
131.03488	0.6
135.04549	1.5
137.02496	1.4
143.03522	1.3
151.07684	0.7
152.07173	0.6
153.05641	0.6
153.09232	1.7
161.04538	4.7
165.09198	0.8
167.10779	2.2
179.05629	6.3
187.11348	1.2
194.06868	0.6
197.04530	1.2
205.12360	2.2
206.30148	0.7
217.30812	0.5
223.13374	3.2
237.42783	0.6
241.14481	1.5
385.18793	1.6
403.19736	4.6
463.22321	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46361	0.7
58.00600	1.3
59.01379	100.0
60.01704	1.3
61.98830	9.6
70.99999	1.0
71.00330	1.4
71.01384	23.6
72.99320	2.3
73.02962	1.2
73.38059	0.9
75.00887	0.9
85.02956	4.6
87.00890	2.2
89.02447	30.0
95.01401	1.3
99.00861	1.0
99.92554	1.0
101.02441	16.2
102.09547	0.7
102.98618	1.4
113.02438	12.5
113.63440	0.7
115.92122	1.2
116.92841	6.7
119.03503	13.5
131.03522	1.8
137.02457	0.9
143.03513	3.4
149.04631	1.2
159.03090	0.8
161.04579	5.7
179.05582	6.0
205.12439	1.3
223.13437	3.7
239.24532	0.9
240.45767	0.7
241.14507	2.5
283.05087	1.8
301.03784	1.1
309.17877	0.8
373.18652	1.5
403.19727	4.6
463.21350	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	462.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95347	1.0
59.01380	16.3
61.98832	100.0
69.98242	3.0
71.01376	1.4
87.04527	2.7
114.79962	0.9
119.05077	1.1
133.02934	1.6
135.04526	1.7
145.02969	1.8
149.02396	1.7
151.03958	1.1
152.99576	1.3
161.02498	5.7
175.94844	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	463.0885
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
59.01386	4.9
61.98829	1.4
65.00314	0.9
71.01383	1.3
83.01371	1.5
85.02986	0.6
89.02461	0.7
98.19836	1.2
101.02428	1.2
107.01380	2.9
108.02190	1.9
109.02934	1.5
113.02454	0.7
121.02955	1.8
133.02936	0.7
135.00905	0.9
135.04507	1.4
137.02483	0.7
148.01701	1.5
151.00383	12.2
153.01930	0.9
159.04532	0.8
161.02515	0.7
163.00432	2.1
164.01132	1.1
178.99855	5.6
187.04010	0.7
199.03984	1.2
203.03549	0.7
211.04016	1.3
215.03468	0.8
226.02681	2.0
227.03587	2.8
229.05019	0.8
240.65221	0.6
243.02979	12.3
244.03442	1.6
245.04631	1.0
252.49319	0.6
254.02202	3.5
255.02986	28.6
256.03305	2.3
271.02472	61.5
272.02942	6.6
273.04102	1.2
283.02435	1.3
285.04028	2.6
286.04309	1.7
287.04730	3.3
299.01984	1.4
300.02762	100.0
301.03470	52.6
301.07224	0.8
302.03928	3.9
371.25787	0.6
463.08801	71.3
464.09164	9.5
470.55026	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	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.9
62.59952	0.5
69.03441	0.7
71.01391	1.9
71.63081	0.7
73.02943	1.7
78.95907	6.6
85.02952	0.7
93.03477	0.9
108.02203	0.8
110.98528	5.0
111.08186	1.0
117.03466	38.9
118.03819	1.8
119.05022	8.8
121.02965	3.1
123.04583	0.6
124.01635	1.2
127.11371	0.8
133.02931	1.6
135.04521	0.9
143.05022	3.5
145.02950	100.0
146.03285	5.7
152.01160	5.2
161.02448	1.6
162.03160	1.1
163.04005	6.3
167.01111	2.1
169.06516	1.4
171.10263	1.0
180.54018	0.5
185.02200	6.0
187.04042	2.3
195.13914	7.3
196.14708	0.5
205.12334	0.8
223.13388	6.1
224.13898	0.7
228.13626	1.2
256.13058	1.3
268.03665	0.8
272.22552	0.6
275.20184	6.0
276.20392	0.6
285.04034	6.0
285.18585	1.7
293.21225	76.6
294.21561	8.9
343.36383	0.6
401.19684	2.2
402.20087	1.0
419.20660	2.5
420.20926	0.6
461.22000	64.2
461.32645	1.6
462.22302	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	461.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92525	1.0
53.42712	1.1
59.01383	5.3
59.80220	0.9
61.98817	2.1
69.31953	3.7
69.32387	5.6
71.05018	2.8
78.95901	11.1
97.29601	1.1
98.20647	1.8
110.98534	9.4
113.09718	1.7
133.02969	1.0
161.92282	1.2
167.01147	3.5
171.10275	1.7
180.30357	1.0
185.02182	10.1
223.17009	4.0
232.21725	0.9
235.17026	22.9
236.17361	2.7
263.20013	2.3
264.20410	2.6
268.03769	1.3
274.49872	0.9
275.20126	28.4
276.20486	3.1
285.04034	14.8
293.21228	100.0
294.21515	9.8
461.23044	14.7
462.24313	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	461.2176
Annotation	Caesalpinin E
Peak:m/z	Relative Intensity
57.03443	0.3
59.01380	13.9
59.39304	0.1
60.01702	0.4
67.14822	0.1
69.03456	0.2
71.01379	3.0
72.99312	0.7
73.02951	1.5
78.95896	0.4
83.01405	0.6
85.02944	0.5
89.02444	0.1
89.03973	0.2
92.77081	0.2
93.03452	2.1
95.01382	0.6
98.19877	0.5
101.02444	0.3
108.02196	0.4
109.02934	0.4
110.98524	0.3
113.02464	0.5
117.03465	40.5
118.03780	1.5
119.05016	4.1
120.05307	0.2
121.02958	3.7
122.03200	0.2
123.04498	0.9
125.02434	0.6
126.81201	0.2
127.11298	1.6
129.03496	0.3
129.12868	0.5
130.04213	0.2
131.04982	0.4
132.02139	0.4
133.02945	0.5
134.03804	0.3
135.04527	0.2
137.02443	0.2
138.03207	0.4
143.05035	2.8
144.05360	0.2
145.02950	100.0
146.03291	4.9
147.04480	0.4
150.03201	0.4
155.04930	0.2
156.05803	0.2
157.06575	0.4
158.03694	0.3
159.04489	0.6
160.05234	0.3
161.02454	1.1
162.03210	0.6
163.03998	1.7
169.06560	1.3
171.04523	1.2
171.08131	0.2
172.05312	1.6
173.06126	0.9
173.11821	0.5
184.05254	0.4
185.02229	0.4
185.06070	0.4
186.06898	0.2
187.04007	2.2
187.07663	0.8
195.13937	0.3
198.06827	0.2
199.07663	0.6
200.04765	0.2
213.05496	0.2
215.03427	0.3
215.07112	0.5
216.04277	0.3
217.05051	0.7
227.07175	0.8
229.08638	0.8
235.16960	0.4
275.20187	0.8
285.04062	1.3
285.15402	0.3
285.18585	4.9
286.18826	0.4
293.21243	2.7
294.21719	0.4
329.17459	0.6
362.50760	0.2
389.19714	0.8
401.19638	4.2
402.19983	0.7
410.05212	0.2
419.20743	1.7
461.21799	53.4
462.22141	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	461.13
Annotation	Sibiricose A3
Peak:m/z	Relative Intensity
52.11953	0.7
55.06142	0.8
59.01387	10.2
61.98848	1.0
67.16161	0.8
71.01380	8.5
71.53693	1.3
73.02941	1.1
83.01369	2.1
85.02943	3.5
87.00882	3.2
89.02452	8.0
93.03460	41.7
95.01385	1.8
99.00906	1.1
101.02455	5.2
107.05037	1.0
107.68991	0.9
108.02173	10.2
113.02428	4.3
116.92874	2.8
119.03527	1.2
121.02972	1.3
123.04537	6.7
125.02493	2.5
135.04517	2.1
136.01663	12.9
137.02446	100.0
138.02763	4.4
143.03577	1.1
149.02408	2.1
151.04015	3.6
152.01149	24.1
161.04520	5.0
167.03491	42.7
168.03770	1.9
179.03505	45.8
179.05550	4.6
180.03882	2.2
186.46494	0.8
191.03423	0.8
209.04549	9.8
214.92607	0.7
221.04588	1.4
239.05595	39.2
240.05951	2.3
281.06760	4.5
299.07736	12.0
300.08011	1.0
461.13007	79.5
462.13275	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	461.1454
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
59.01366	3.8
69.49512	1.8
69.49931	3.6
71.01392	2.0
83.01405	0.9
84.84389	0.7
85.02952	1.1
95.05025	1.1
98.20646	1.5
99.00868	0.6
101.02432	1.1
109.02944	0.9
113.02447	1.6
114.26742	0.6
117.03471	22.2
118.03732	0.8
118.98138	0.7
119.05023	12.4
121.02952	1.0
122.03748	0.9
123.04525	81.3
124.04847	3.4
135.04515	6.3
137.02463	2.8
145.02954	100.0
146.03255	4.2
153.05576	74.8
154.05899	2.9
161.02446	0.8
161.06082	0.9
163.04013	11.9
163.11485	0.7
173.38834	0.6
174.53157	0.6
175.04140	0.7
179.03497	1.3
187.03969	1.2
190.16568	0.6
205.05054	1.2
281.06665	2.5
285.04132	2.3
307.08215	71.7
308.08536	4.8
315.07373	0.7
315.10837	1.1
461.14865	6.1
461.24100	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	461.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92714	0.3
59.01384	9.4
61.98832	3.7
68.88404	0.4
71.01376	2.9
71.39499	0.3
72.99313	2.4
73.02945	1.6
74.00648	0.3
74.02459	0.4
75.00875	100.0
76.01219	1.5
77.01297	0.4
85.02956	0.8
89.02449	2.9
93.03468	1.4
101.02457	1.3
109.02974	0.4
113.02465	1.1
119.03571	0.8
125.02426	0.5
131.03513	0.4
133.03009	0.5
135.04558	1.3
137.02446	4.1
145.02965	0.3
148.81163	0.4
150.14977	0.3
161.02422	1.0
161.04573	0.6
169.05156	0.4
176.03468	0.8
179.03517	0.9
179.05641	0.4
221.11887	1.3
237.06212	1.1
238.06418	0.5
239.06871	1.7
239.12927	0.4
250.60947	0.3
285.04056	0.4
357.15594	0.5
406.03818	0.4
428.50681	0.4
461.15292	3.5
461.21460	0.6
473.82904	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	461.1091
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
53.03897	0.4
55.01877	0.6
59.01382	7.5
61.98820	0.8
69.03459	4.4
69.34521	0.9
69.34930	3.4
71.01378	1.0
77.16389	0.5
79.01872	0.9
81.03442	0.9
83.01405	2.5
85.02945	1.1
93.03484	0.7
95.01365	1.7
97.02944	3.8
98.19901	1.2
107.01409	2.2
108.02165	1.0
109.02954	1.7
113.02436	0.8
121.02949	0.6
123.00886	9.1
123.01713	0.7
123.04455	0.8
124.01669	23.5
125.02454	56.4
126.02782	2.1
132.02002	0.5
133.03008	0.5
134.06110	1.0
135.04530	6.2
136.01668	0.9
137.02431	3.5
139.97363	0.5
140.16437	0.5
147.04512	4.1
149.02542	0.7
149.99590	37.7
151.00354	3.0
152.07103	0.7
153.12923	0.5
154.02327	0.5
161.02444	1.6
165.01834	0.6
167.03458	0.7
168.00641	64.8
169.01376	6.0
179.03520	1.5
179.10709	0.5
194.41324	0.4
276.07941	0.5
279.07800	0.5
285.04095	1.2
296.11017	0.8
313.05701	2.1
443.09860	3.9
444.10074	0.8
461.10895	100.0
462.11246	15.5
462.17053	0.4
476.51166	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	461.1092
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
55.33855	0.4
56.44859	0.5
59.01382	29.3
60.01708	1.1
61.01794	0.6
61.98839	2.6
64.10474	0.5
69.03452	3.6
69.51331	2.0
69.51743	1.5
71.01387	6.2
72.99304	1.7
73.02947	2.1
74.77893	0.5
79.01891	0.6
81.03445	1.3
83.01389	2.8
85.02953	3.9
87.00856	0.7
89.02435	1.7
93.03452	4.3
95.01386	2.3
95.98128	0.5
97.02969	3.8
97.55263	0.5
99.00863	0.6
101.02431	4.2
107.01392	1.9
107.05049	0.5
108.02184	0.9
109.02957	1.9
113.02460	2.4
117.03494	0.7
119.03485	0.7
119.05093	0.9
121.02969	0.9
122.03776	0.5
123.00888	8.4
123.04532	0.8
124.01666	25.3
125.02451	57.1
126.02823	2.6
127.07660	1.4
133.02960	2.3
134.03725	0.5
134.06146	0.9
135.04529	11.7
136.01662	0.8
136.04893	0.6
137.02440	11.1
141.01918	0.5
145.02956	1.5
147.04523	4.8
149.99590	37.9
151.00310	2.8
151.04018	0.8
153.01964	0.9
161.02449	6.3
161.04547	1.0
165.01903	0.8
167.03465	1.2
168.00648	62.5
169.01297	6.2
178.02841	0.7
179.03490	7.1
180.03734	0.5
197.04593	1.2
211.02303	0.5
281.09232	0.7
283.05603	0.6
285.04053	3.5
286.04248	0.8
313.05551	1.5
401.25558	1.9
419.22217	2.5
443.09885	3.6
444.10007	0.7
460.35428	0.6
461.10904	100.0
461.24011	13.0
461.31406	2.0
462.11285	14.3
462.16516	0.3
462.17947	0.5
462.24350	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	461.13
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
53.83794	0.3
58.49615	0.3
59.01379	1.5
61.98832	0.3
68.85839	0.3
69.68662	0.3
70.38354	0.9
71.01392	1.4
80.02686	0.4
85.02950	0.3
87.69792	0.3
89.02444	3.8
93.03496	0.9
95.01382	0.4
101.02450	0.5
101.14159	0.3
108.02173	25.2
109.02507	0.7
109.84668	0.3
113.02456	0.3
114.68110	0.3
123.04525	13.3
124.04810	0.6
125.02442	1.8
127.03882	0.3
131.03494	0.7
136.01611	0.4
137.02463	2.1
143.03473	0.4
144.04488	0.4
149.04558	0.6
152.01151	56.0
153.01477	1.7
167.03491	100.0
168.03818	3.7
174.95596	0.3
179.03517	0.4
191.05679	0.5
219.07700	0.7
233.06589	1.3
293.08783	2.8
458.01120	0.3
461.13101	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
57.03441	0.4
58.98377	0.3
59.01381	27.3
59.57809	0.3
60.01712	0.8
61.98840	0.5
65.03958	0.5
71.01390	3.6
71.64647	0.4
72.99302	0.6
73.02945	1.4
75.11652	0.3
83.01396	1.0
85.02957	3.3
87.00889	0.6
89.02459	1.0
92.00957	0.3
93.03458	50.9
94.03802	1.5
95.01360	0.6
99.00881	0.4
101.02454	3.0
107.05045	0.8
109.02930	0.9
113.02452	2.0
117.03446	0.6
119.03505	0.6
119.05001	0.7
121.02957	1.0
122.06076	0.4
123.04551	1.1
125.02460	0.5
133.02946	1.4
134.03735	3.3
135.04526	87.3
136.04857	4.2
137.02443	100.0
138.02760	3.8
145.02986	0.6
151.16455	0.5
160.01683	1.2
161.02493	1.7
161.04575	0.8
175.04002	1.3
178.02812	0.5
179.03493	79.8
180.03839	4.2
195.58565	0.4
216.04141	0.3
230.50288	0.4
257.17554	0.5
281.06625	1.3
285.04031	3.2
286.04477	0.4
301.19937	0.7
323.07700	5.4
323.39755	0.4
324.07901	0.5
337.09369	1.3
341.09000	0.4
375.23923	0.5
401.21814	1.1
417.10199	0.7
419.22849	1.0
439.91638	0.4
443.22870	1.0
460.23529	0.5
461.10956	1.4
461.24042	8.0
462.24442	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	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
54.19565	0.2
58.72119	0.2
65.27148	0.2
71.17688	0.5
96.27698	0.2
107.05029	31.3
108.05354	0.9
147.08139	0.4
163.11282	100.0
164.11621	6.5
238.09906	0.4
265.12366	0.3
280.14706	0.6
283.17023	23.4
284.17331	2.9
290.36090	0.2
295.17010	13.5
296.17377	1.9
341.12973	0.2
437.20184	0.2
459.29031	74.9
460.29358	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	461.0726
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.63616	0.4
59.01373	1.8
63.02399	1.0
65.00334	1.3
66.97502	0.5
69.47165	2.8
71.01383	2.8
71.09373	0.4
72.99297	0.7
75.00869	0.7
83.01383	0.5
85.02952	2.7
87.00859	1.2
89.02455	0.5
95.01412	0.6
98.20656	1.0
99.00880	0.7
105.03496	0.5
107.01390	1.8
109.02934	0.7
113.02462	2.8
115.00354	0.5
120.93169	0.4
121.02993	0.7
128.48627	0.5
133.02953	6.4
137.67041	0.4
149.02434	1.9
149.03568	0.4
151.00392	3.9
160.60233	0.4
171.04436	0.5
173.06032	0.4
175.02589	0.7
175.03999	2.0
182.28418	0.4
185.06012	0.6
199.04016	2.4
201.01819	0.5
213.05661	0.7
217.05002	1.5
241.05043	0.7
267.03259	0.5
285.04047	100.0
286.04382	10.9
327.05142	1.3
357.06140	1.0
461.07278	9.0
462.07556	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.2
61.98820	0.7
65.79057	0.7
68.99812	0.7
71.01379	2.7
80.23111	0.7
80.63116	0.7
81.03477	1.5
83.01392	0.9
85.02941	2.7
89.02447	1.7
93.03455	4.0
95.01350	1.3
96.29769	0.7
98.20723	1.3
101.02448	2.5
108.02179	53.7
109.02962	49.5
110.03288	2.2
113.02431	1.3
117.02731	1.3
117.03480	18.7
119.05017	7.9
121.02992	1.6
123.00877	1.3
133.02968	2.3
134.03667	0.9
135.04491	3.5
137.02441	15.3
138.55952	0.7
145.02963	59.0
146.03387	3.5
151.03946	1.2
152.01158	65.8
153.01947	48.8
153.03038	0.5
153.03262	1.0
154.02257	2.5
161.02415	2.9
163.03995	6.4
164.04655	1.6
165.01881	1.2
177.01909	2.9
178.02306	1.8
179.03648	0.9
179.07130	1.5
213.05588	1.2
225.11171	1.0
281.06674	3.4
285.04047	10.0
299.07886	2.5
307.08255	2.5
310.70132	0.7
315.07217	39.9
316.07504	2.3
326.15521	0.9
417.11685	2.1
461.10803	100.0
462.11200	14.1
462.17413	1.4
462.23849	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	461.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30370	0.5
55.67417	0.5
59.01376	3.5
69.03452	0.6
69.65197	4.0
71.01378	3.0
72.97540	0.5
81.03468	1.5
83.06604	0.5
85.02948	2.1
86.46131	0.6
93.03464	2.5
95.01400	2.3
96.36647	0.6
101.02460	1.2
108.02177	68.8
109.02968	32.2
110.03297	0.8
113.02440	1.8
117.03465	25.5
118.03798	0.7
119.05024	5.9
121.02931	1.4
123.00899	1.3
123.04536	1.1
133.02933	2.2
135.04520	2.5
137.02434	5.8
138.13416	0.6
145.02953	75.8
146.03313	4.2
151.04008	1.3
152.01155	91.1
153.01947	30.8
154.02280	0.9
161.02455	2.7
163.04019	5.2
164.04475	0.7
165.01947	1.4
179.03488	1.3
181.30356	0.6
195.02937	1.0
213.05583	1.6
225.03960	0.9
285.04062	8.3
307.08267	2.4
315.07211	42.1
316.07602	2.8
321.41010	0.6
323.07681	1.1
417.11850	1.7
446.46646	0.6
460.51855	0.6
461.10892	100.0
462.04684	0.7
462.11255	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	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.87173	0.2
57.03453	0.5
58.00592	0.6
58.36580	0.3
59.01380	100.0
60.01720	1.2
64.11520	0.3
69.03444	0.3
71.01385	14.5
71.46495	0.4
72.01737	0.4
72.99309	0.6
73.02948	8.1
76.38022	0.3
83.01401	2.2
85.02950	4.2
87.00840	0.5
87.04546	0.6
89.02440	7.9
95.01388	1.7
97.02976	0.3
97.89326	0.2
99.00890	0.8
101.02448	8.2
108.02163	0.6
109.02956	0.6
113.02455	11.9
114.02814	0.2
119.03490	2.5
120.03871	0.3
121.02936	1.2
122.03742	38.4
123.04092	1.2
123.04556	1.1
125.02462	0.6
131.03514	0.6
133.02957	0.3
135.04536	1.3
137.02493	0.3
137.06113	0.8
143.03517	0.8
147.04520	2.9
149.04518	0.5
152.01071	0.3
161.02473	0.5
161.04544	3.1
162.02901	0.4
162.05013	0.3
165.05565	5.2
166.05956	0.4
167.03598	0.3
177.05585	1.3
179.05627	1.6
179.06961	0.3
189.04616	0.2
216.49123	0.3
241.44040	0.2
252.02977	0.3
253.14359	0.3
255.19676	0.3
268.03824	1.6
329.28741	0.3
399.23889	3.7
400.24240	0.5
415.14023	3.3
415.19086	0.5
416.14291	0.5
417.25009	4.0
418.25439	0.4
423.22180	0.3
459.09286	1.1
459.21951	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
57.03445	0.7
59.01381	100.0
60.01712	1.1
61.98841	0.3
71.01384	8.6
72.99326	0.5
73.02965	2.6
75.84331	0.3
83.01399	1.3
85.02953	4.2
85.03371	0.4
87.00885	0.4
87.04530	1.0
89.02428	2.3
95.01421	1.0
99.00916	1.1
101.02445	4.0
113.02454	8.0
113.03220	0.5
115.77531	0.3
119.03530	0.8
122.03741	2.8
135.04567	0.4
147.04578	0.5
149.06094	1.0
161.02502	0.5
161.04575	3.6
165.05621	0.4
179.03532	0.3
380.29233	0.3
399.23892	6.5
400.24146	0.8
417.25128	2.8
459.22321	2.8
460.22955	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47635	0.2
55.01880	0.5
57.03448	0.6
59.01381	100.0
60.01710	1.2
61.98837	0.4
64.16008	0.2
71.01383	7.6
72.99318	0.6
73.02951	2.6
76.80156	0.2
83.01398	1.1
85.02444	0.3
85.02951	4.3
86.45583	0.2
87.00896	0.4
87.04537	0.8
89.02446	2.2
95.01395	0.9
97.02956	0.2
99.00883	1.1
101.02454	3.8
109.02995	0.2
113.02454	7.1
113.03236	0.4
114.02795	0.2
119.03518	0.8
122.03746	3.2
123.04547	0.5
125.02532	0.2
131.03568	0.2
135.04561	0.8
143.03537	0.5
147.04570	0.6
149.06104	1.4
159.03069	0.3
161.02443	0.6
161.04550	3.3
162.02812	0.2
179.03590	0.5
179.05367	0.2
197.04640	0.2
206.78905	0.2
253.04874	0.2
253.09297	0.3
255.19685	0.3
305.71509	0.2
353.12372	0.2
399.23907	5.5
400.24323	0.7
417.20651	0.2
417.25174	2.5
418.25375	0.3
459.22043	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	459.26
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01877	1.3
56.34647	0.3
57.03450	1.7
58.00592	0.7
58.93124	0.3
59.01382	29.0
60.76508	0.3
61.98823	0.4
69.03470	0.8
71.01384	16.0
71.05022	0.7
71.50893	0.3
72.01730	0.3
72.99306	2.0
73.02944	5.1
75.00860	0.4
76.92471	0.3
81.03445	0.4
83.01386	2.4
83.05034	0.5
85.02957	6.6
86.00097	0.7
87.00877	3.9
89.02445	2.5
95.01388	1.1
97.02948	1.1
99.00883	1.5
101.02436	6.4
106.78114	0.4
111.00904	0.9
112.01669	0.6
113.02452	3.4
119.03482	0.6
119.05013	0.5
124.01680	0.9
125.02439	1.4
129.01955	0.4
133.02930	0.9
135.04532	0.7
143.03447	0.4
161.02448	3.4
162.02736	0.7
179.19902	0.3
209.19090	1.0
237.18620	1.9
255.19650	26.1
256.20074	2.2
267.19754	0.7
269.21237	0.4
283.06143	0.5
297.04004	0.5
297.20694	1.1
399.23859	12.7
400.24136	1.9
417.24924	40.8
418.25336	4.7
441.24802	0.6
459.25986	100.0
460.26291	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	459.202
Annotation	brugunin A
Peak:m/z	Relative Intensity
57.03442	0.3
59.01378	14.3
60.01707	0.3
60.25449	0.2
61.98818	0.3
63.80199	0.2
66.88232	0.2
68.99816	0.3
69.03465	0.2
71.01387	2.7
71.05029	0.2
71.44989	0.4
72.99313	2.0
73.02956	1.1
73.94331	0.2
75.70659	0.2
81.03436	0.2
83.01385	0.8
85.02959	0.9
89.03938	0.2
93.03455	2.1
95.01412	0.2
99.00855	0.2
99.08179	0.4
101.02428	0.6
108.02184	0.3
109.02972	0.5
113.02465	0.7
117.03465	40.8
118.03806	1.8
119.05020	3.5
119.05874	0.3
121.02947	3.3
123.04511	0.9
125.02422	0.6
125.09710	0.4
127.11304	1.9
129.03470	0.8
130.04237	0.3
131.04994	0.3
132.02156	0.2
133.02959	0.8
134.03734	0.3
135.04500	0.6
135.98051	0.2
137.02444	0.4
143.05022	2.7
145.02950	100.0
146.03288	5.2
147.04539	0.4
149.02431	0.3
153.12790	0.2
157.06586	0.3
158.03705	0.5
159.04449	1.2
160.05264	0.2
161.02437	0.7
162.03200	0.3
163.03984	1.8
169.06572	1.0
171.04504	1.5
171.08191	0.3
171.10274	0.4
172.05298	1.0
173.06027	0.7
179.03468	0.3
184.05182	0.2
185.06070	0.6
187.03998	3.3
187.07539	0.6
188.04501	0.2
197.06099	0.3
199.07591	0.3
201.05569	0.4
213.05563	0.4
215.07106	0.5
217.05058	0.4
222.03432	0.2
227.07161	0.3
229.08691	0.9
269.04376	0.4
283.17035	2.0
287.05579	0.9
347.07553	1.0
387.18018	0.5
399.18082	2.8
400.18054	0.3
417.19156	0.9
458.33426	0.2
459.20233	45.2
460.20560	7.2
467.14252	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	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60018	1.3
54.88162	1.2
59.01381	71.5
60.01735	1.2
61.98804	2.4
69.66282	1.3
71.01375	10.5
73.02959	7.8
80.96526	1.6
83.01394	2.4
85.02944	2.8
87.00842	1.5
89.02451	4.9
101.02446	10.3
109.02972	2.5
113.02444	4.6
117.03476	3.7
119.05004	6.5
125.02470	1.6
132.02147	1.6
132.04533	2.2
133.02971	21.7
134.03700	4.0
134.06114	3.8
135.04532	100.0
136.04845	4.5
137.02379	2.2
145.02962	11.4
147.04498	2.6
153.01909	1.5
160.04047	1.3
161.02449	67.9
161.04558	3.2
162.02769	3.2
163.04028	5.2
179.03508	7.6
203.03493	1.6
221.04646	2.6
237.14888	4.2
251.11916	1.5
255.03032	2.0
255.15976	1.7
267.12460	1.6
279.11404	2.7
285.04230	1.7
290.18256	1.3
297.09903	6.3
323.07587	20.4
323.10794	2.2
324.07858	2.2
355.12866	5.6
373.22299	2.5
383.12552	4.4
399.20245	2.5
415.14630	1.7
417.21091	5.1
459.13028	15.3
459.22418	25.2
460.13461	1.5
460.22864	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	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76014	0.9
59.01382	68.1
60.01711	1.3
61.98820	3.9
64.63119	1.0
68.82298	1.0
71.01390	13.1
71.62664	1.5
72.28878	0.9
72.99299	1.7
73.02958	6.2
80.96499	1.3
81.03446	1.1
83.01393	3.0
85.02938	4.3
87.00880	2.0
89.02440	4.3
90.85958	0.9
95.04057	0.9
101.02451	8.2
108.02153	2.6
109.02921	3.0
113.02483	4.9
117.03471	3.5
119.03475	2.2
119.05016	4.0
119.91602	1.0
121.02933	1.7
125.02427	1.2
127.00352	1.3
132.04480	1.3
133.02956	20.5
134.03694	2.3
134.06120	2.6
135.04532	100.0
136.04857	4.4
145.02975	10.0
147.04457	1.0
149.06021	1.7
153.01944	2.4
161.02454	74.4
162.02783	5.2
163.04041	5.7
177.05624	1.4
179.03499	7.7
213.51811	1.2
221.04536	1.8
223.13374	2.0
237.14903	3.3
251.12056	1.4
255.16084	1.7
263.05511	1.1
267.12216	2.2
279.11063	1.1
279.16010	1.7
279.52548	1.0
297.09683	5.0
323.07608	22.0
323.10886	1.5
324.08017	2.5
355.12939	4.0
369.15741	1.7
373.22177	2.9
383.12247	1.6
399.20242	1.7
415.14865	2.1
417.21219	3.6
459.13113	14.2
459.22534	17.4
460.13132	2.4
460.22665	3.7
465.75784	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	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03436	2.0
59.01383	100.0
60.01713	1.5
61.26163	0.7
69.03445	1.2
69.60479	1.6
69.60877	3.5
71.01379	17.8
72.99323	1.8
73.02950	8.5
81.03460	12.6
83.01395	2.6
83.05035	9.2
85.02496	1.1
85.02963	12.0
87.00864	2.1
89.02436	3.4
93.03465	2.1
95.01428	1.3
95.05025	21.5
96.05449	0.8
96.95936	0.8
97.02943	1.3
98.20588	1.6
99.00888	3.0
101.02448	18.1
107.05045	1.1
109.02961	0.9
109.06595	8.0
111.00906	0.9
113.02448	8.3
119.05080	0.7
121.02965	1.8
121.06577	1.4
123.04532	5.9
133.06590	2.1
133.13889	0.8
135.04553	1.0
135.08167	13.6
139.07669	1.2
141.05597	7.8
143.41840	0.8
149.06075	0.9
159.02989	2.3
159.08144	3.4
161.02513	1.2
161.04582	11.2
161.05942	1.2
175.07628	2.1
177.09212	37.9
178.09532	2.2
179.07144	5.2
180.07642	0.8
195.10254	18.3
196.10655	1.4
210.50552	1.0
221.08182	14.2
222.08589	1.3
237.09781	15.8
237.11957	1.4
238.10095	1.4
239.09230	1.9
279.10837	1.0
285.04028	2.1
349.78403	0.9
408.90732	0.8
459.18729	91.3
460.19107	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	459.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10440	0.8
57.03452	1.2
59.01382	100.0
60.01711	1.8
61.01808	1.0
61.78695	0.8
61.98821	5.3
63.34674	0.9
71.01393	13.5
71.64250	1.0
72.99308	1.2
73.02951	5.4
76.40472	0.8
83.01433	2.0
83.84782	0.9
85.02952	3.9
87.00859	1.1
89.02460	6.9
93.95025	1.0
95.47813	1.0
101.02449	15.1
113.02458	4.9
119.03510	2.6
135.04546	3.3
137.02432	1.8
145.02948	1.6
147.04509	0.9
161.02464	1.8
161.04575	1.6
162.03230	3.7
163.03958	1.9
177.05589	3.0
179.03502	1.9
204.25415	1.0
211.13335	1.5
223.13245	1.2
256.89407	1.0
279.61548	0.9
334.57230	1.0
340.29602	0.9
355.17612	2.4
357.19150	1.3
369.15494	1.1
373.18719	4.1
399.20096	2.0
415.19785	6.3
417.21161	2.8
441.21307	3.1
459.22385	50.1
460.22791	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	459.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
59.01383	26.3
69.87376	6.2
69.87784	4.8
71.01392	23.7
72.99327	2.3
73.02952	51.0
74.02458	2.6
75.00903	2.6
85.02958	5.4
85.47225	1.9
89.02460	28.1
95.01402	3.1
99.00872	6.7
99.92589	6.0
101.02448	12.4
108.02180	17.7
109.02975	11.1
113.02466	9.6
116.03577	3.2
116.07211	4.9
116.92864	68.6
117.01945	100.0
117.92867	5.0
118.02306	3.4
118.05104	8.6
118.38242	2.1
119.03501	12.6
139.09073	2.3
152.01160	18.8
153.01930	7.6
161.04558	5.1
179.05620	17.6
201.59326	2.0
253.52710	2.0
291.58826	2.5
315.07101	11.3
341.10852	40.1
342.11160	8.8
357.08249	8.4
397.11386	4.5
432.76892	2.0
440.15448	2.2
459.11496	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	459.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	97.9
60.01704	3.8
63.55576	2.8
65.82811	2.9
71.01392	11.9
72.99316	3.0
85.02980	4.2
89.02427	4.5
101.02436	8.6
104.05081	5.5
106.06638	6.6
113.02447	6.6
119.05038	3.7
124.33886	3.1
132.04546	34.1
134.06122	56.7
135.04533	7.2
143.49567	3.4
144.04533	3.4
145.02936	9.1
145.37326	2.9
148.04018	7.4
152.07169	4.2
153.01938	3.7
158.06126	7.0
161.02504	5.1
163.04105	4.2
163.10155	2.8
176.03479	7.2
188.03577	8.4
195.44273	3.0
208.06075	6.9
229.59241	3.0
251.11868	19.3
255.11359	6.5
267.07208	6.9
279.11426	29.8
295.10788	10.1
297.12204	4.2
323.10440	32.7
324.10574	4.8
337.11890	4.5
355.12961	100.0
356.13300	12.3
383.12573	21.8
415.14969	39.9
416.15527	5.4
459.22961	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	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	1.3
59.01381	26.5
61.98824	1.5
71.01388	12.2
71.56708	1.0
72.99313	10.4
73.02950	2.8
75.00876	43.5
81.03448	0.9
82.24870	0.8
83.01375	2.0
85.02947	3.6
87.00864	2.1
89.02460	8.2
95.01400	0.9
95.05039	1.7
97.02991	1.0
101.02454	8.1
102.26301	0.9
109.02969	1.4
113.02434	3.6
117.03435	1.7
119.03503	2.5
121.05056	3.2
123.04523	3.0
132.02176	16.4
133.02942	2.6
134.03741	29.5
135.03040	1.1
135.04581	7.5
137.02463	0.9
137.88124	1.0
149.06052	3.9
160.01657	72.0
161.02075	3.7
163.04001	1.0
175.04002	84.3
176.04347	5.6
177.09227	1.6
178.02721	1.2
179.03456	4.4
181.05070	1.3
191.07126	1.9
193.03290	1.8
193.05060	37.7
194.05360	2.3
195.10262	1.4
197.04500	7.4
219.05099	1.2
221.08095	1.4
235.06097	3.7
237.06158	45.4
238.06506	3.1
239.09207	4.9
277.84451	0.9
279.07144	1.2
295.08090	1.1
337.09283	1.5
357.16852	1.1
401.10941	1.1
402.39954	1.0
441.14142	2.4
459.15045	100.0
460.15323	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	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63296	2.1
59.01382	27.5
61.59214	1.8
69.44717	1.9
70.07091	9.4
71.01377	18.7
73.02951	56.5
75.95459	2.3
85.02968	3.0
87.00853	2.1
89.02457	23.1
99.00873	5.8
101.02463	12.4
108.02173	12.6
109.02951	8.8
113.02448	8.1
116.92891	10.6
117.01938	100.0
118.02259	2.0
118.05095	7.9
119.03517	12.8
131.51819	2.0
152.01161	11.2
153.01930	6.1
161.04485	3.1
175.87952	1.9
179.05629	14.1
186.50336	2.0
262.09177	2.1
315.07242	6.7
341.10876	37.4
342.11356	4.3
357.08255	7.0
459.11523	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	459.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86521	0.4
55.01876	1.4
57.03450	4.3
58.00595	0.5
59.01380	43.2
60.01707	0.8
65.00329	0.4
68.99828	1.1
69.03465	0.5
71.01382	16.2
71.31783	0.4
72.99306	3.9
73.02950	2.9
75.00871	7.5
83.01397	1.4
84.02150	0.7
85.02952	36.2
86.03300	0.6
87.00881	6.2
89.02446	3.2
94.02142	0.4
95.01389	10.6
99.00877	12.0
101.02438	2.6
103.00373	4.3
107.01380	0.6
111.00890	1.2
113.02454	64.7
114.02796	1.7
115.00366	2.1
117.01931	3.6
129.01952	3.2
139.00359	0.6
148.76199	0.4
151.00345	1.0
157.01424	1.3
171.04456	0.6
172.05301	0.4
175.02490	12.3
176.02826	0.5
196.05151	0.4
200.04776	0.9
211.03938	0.9
212.04651	0.5
217.85609	0.4
239.03519	2.4
240.04242	3.7
267.03040	0.9
268.03757	99.1
269.04138	8.3
283.06113	100.0
284.06436	10.4
399.23734	0.7
417.24832	1.2
459.09424	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	459.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44203	1.1
57.03450	15.9
59.01372	7.5
71.01363	4.6
71.25097	1.9
73.02946	2.0
81.03447	1.5
83.01380	1.0
85.02938	4.2
88.98798	1.6
89.02436	1.2
90.55305	1.0
93.03445	1.7
95.01373	2.5
96.95983	1.0
99.04522	2.9
99.86326	1.0
101.02422	4.0
108.02176	100.0
109.02964	73.7
110.03260	1.9
113.02460	2.1
121.02955	2.0
123.00846	2.6
125.01011	1.2
135.04489	1.8
145.02933	1.1
151.03966	2.8
152.01155	91.0
153.01939	75.2
153.71379	0.9
154.02257	3.6
161.04486	1.7
163.03992	1.8
165.01910	1.8
173.40056	1.0
222.12540	1.0
283.27322	1.1
297.06271	1.3
315.07205	53.9
316.07681	4.9
357.08264	57.8
358.08585	4.0
390.71127	1.0
397.11438	16.0
398.11691	1.5
459.11377	57.3
460.11703	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	458.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.0
59.01371	4.7
60.13665	1.1
61.98838	7.7
69.03474	1.3
69.69515	6.4
70.02987	1.5
71.01382	8.3
72.04537	2.1
73.02933	1.9
74.02475	32.3
81.03436	1.6
83.01405	1.3
85.02939	7.2
88.04041	3.3
89.02464	1.0
93.03443	2.2
95.01379	3.5
96.96970	1.4
98.02476	14.1
98.20564	2.1
99.00915	1.1
99.92612	1.8
101.02450	4.1
108.02178	73.2
109.02971	50.3
112.04061	1.5
113.02440	4.6
116.03541	25.2
116.92884	7.7
121.02954	2.0
123.00898	2.8
123.04530	2.5
125.02424	1.3
130.05075	2.2
133.02950	1.3
135.04549	2.5
137.02460	2.3
147.04524	2.6
151.03975	2.5
152.01158	100.0
153.01952	43.8
153.05511	1.0
154.02307	1.6
159.03047	1.1
161.04550	1.0
163.03961	3.8
165.01869	3.2
165.05559	4.6
167.03505	2.8
179.03410	2.0
181.05057	1.5
207.31618	1.2
227.54866	1.1
263.60117	1.5
297.06189	6.8
297.13443	1.1
315.07202	27.3
316.07248	1.7
357.08228	3.9
377.97668	2.9
414.10443	58.6
415.10803	7.3
428.11932	5.2
440.12180	9.2
441.11862	1.9
458.13043	99.1
459.13324	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	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01695	0.9
72.99304	0.9
74.97349	0.3
98.20625	0.9
101.47448	0.4
121.26170	0.4
124.98286	0.4
133.02988	0.8
136.04845	0.4
145.02921	1.0
149.16763	0.4
161.02448	1.4
164.46481	0.4
262.66760	0.5
457.33673	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	457.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
58.00586	0.6
59.01380	100.0
60.01713	1.0
61.79999	0.4
61.98848	0.6
71.01382	17.8
72.99306	2.4
73.02955	7.0
83.01379	2.2
84.80462	0.4
85.02943	6.2
87.00893	1.4
89.02443	10.5
90.02784	0.4
95.01420	2.1
99.00912	1.2
101.02444	10.1
101.03066	0.8
113.02450	19.1
114.02808	0.7
119.03530	3.3
119.05042	1.7
120.05334	1.0
125.02443	0.8
131.03545	0.8
133.02974	1.0
134.03339	0.6
134.06125	0.9
135.04530	1.1
143.03510	1.1
145.02927	0.8
149.04593	1.0
161.02443	3.6
161.04514	3.0
162.02818	1.8
163.04074	1.1
164.04387	0.6
165.04512	0.6
179.03516	0.7
179.05635	0.9
188.88257	0.5
204.62917	0.4
229.23584	0.5
253.18134	1.0
293.52197	0.4
294.10684	0.5
295.11008	1.6
342.19043	0.4
353.06937	0.5
353.11636	0.7
397.14230	1.0
397.22345	6.5
398.23059	0.6
415.23315	4.9
415.27634	0.4
416.23758	0.7
457.13800	0.6
457.33133	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	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21373	0.4
54.40733	0.4
54.46974	0.4
55.01878	0.4
57.03433	0.6
59.01379	100.0
60.01713	1.5
69.03424	0.5
69.85435	2.4
71.01382	14.5
72.99319	0.9
73.02947	4.6
83.01410	1.7
85.02953	3.1
89.02444	13.2
89.02987	0.7
95.01410	1.4
96.96017	1.1
98.95564	1.0
99.00861	0.6
101.02448	8.7
101.03080	0.7
113.02454	7.6
115.59993	0.4
117.03515	0.7
117.60066	0.4
119.03500	4.2
119.05055	0.4
123.04519	0.5
124.27557	0.4
130.08755	0.8
131.03534	1.0
135.04526	1.0
141.80350	0.5
143.03497	0.7
145.02986	2.3
148.05356	0.7
149.04628	0.5
161.02512	1.8
161.04607	1.7
163.04013	0.7
179.05595	0.7
193.59837	0.4
286.62973	0.5
397.22131	0.5
413.24323	1.2
415.23547	0.7
457.21188	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.5
59.01380	100.0
60.01715	1.1
68.67776	0.3
69.49911	2.7
69.50255	0.5
70.61139	0.3
71.01385	13.2
71.47283	0.3
72.99315	1.0
73.02943	4.7
81.03469	0.4
81.83937	0.3
83.01412	1.2
85.02961	3.3
87.00875	0.5
89.02447	13.1
93.03486	0.4
93.68085	0.3
95.01408	1.3
99.00892	0.4
101.02446	7.1
103.07095	0.3
113.02452	8.1
115.40509	0.3
119.03504	3.6
119.04991	0.6
131.03535	1.1
137.02458	0.8
143.03490	0.8
145.02933	0.4
149.04622	0.4
150.00394	0.3
161.02451	0.7
161.04520	1.7
179.05652	1.0
223.73676	0.4
277.90097	0.4
397.22556	1.1
415.23175	0.6
433.96689	0.4
457.21344	0.4
467.58035	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	457.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.0
59.01376	1.3
60.84291	0.5
61.98821	1.8
71.05014	1.1
71.48148	1.0
83.05041	0.8
95.05082	0.5
97.06592	2.3
107.05112	0.5
109.06662	0.6
111.08141	2.2
137.09677	0.6
189.12851	8.6
190.13197	1.4
191.14410	15.0
192.14742	1.0
205.15895	0.6
229.15942	0.8
229.52438	0.7
264.33167	0.5
265.18030	2.0
289.18048	0.7
345.24231	0.6
346.62216	0.5
383.25980	1.0
387.30612	8.9
388.31033	1.5
389.28687	0.6
391.26111	0.9
393.31671	1.5
395.33398	0.7
403.30252	0.8
405.31937	1.2
406.28772	2.1
407.33301	6.1
408.33746	1.0
413.34427	0.7
421.31168	2.1
423.32724	25.2
424.33057	5.2
425.34274	8.1
426.34439	1.5
437.30872	0.7
439.32132	15.0
440.32330	2.3
455.31915	0.7
457.33224	100.0
458.33554	18.8
467.31677	21.1
468.31985	4.9
469.33249	4.4
470.33572	1.0
483.31195	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	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50973	0.2
51.56376	0.2
55.01863	0.4
59.01382	100.0
60.01722	1.1
61.98839	0.4
69.45755	1.7
71.01387	4.2
73.02946	1.1
73.48636	0.2
83.01383	0.5
85.02958	2.4
87.00896	0.5
89.02470	0.7
95.01403	0.6
96.01059	0.2
97.06658	0.3
99.00913	0.5
101.02441	2.1
108.02202	0.6
109.02951	1.9
113.02445	3.0
113.03142	0.3
119.03522	0.3
121.03057	0.2
135.04587	0.5
137.02473	0.4
143.03465	0.2
152.01170	0.6
153.01945	2.5
159.03011	0.3
160.56783	0.2
161.02460	0.4
161.04535	1.1
176.78496	0.3
179.03545	0.3
182.36108	0.2
202.83911	0.2
253.18118	2.3
307.41068	0.3
315.07281	0.4
397.22345	1.9
398.22668	0.5
415.23325	3.0
416.23788	0.5
440.61935	0.2
457.12701	1.7
457.24652	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	457.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68543	0.7
57.03448	1.6
59.01382	100.0
60.01726	0.8
61.98835	0.8
67.86126	0.7
69.97816	1.9
69.98206	1.8
71.01380	10.6
72.99313	3.6
73.02946	5.9
83.01398	1.1
85.02950	3.5
87.00871	0.8
89.02457	6.1
92.22156	0.7
101.02448	8.2
108.15585	0.7
113.02458	6.4
119.03519	2.2
119.04975	1.0
133.02890	1.0
135.04552	2.0
137.02440	1.0
139.11307	0.9
161.02463	2.1
161.04585	2.2
163.04047	0.8
179.03566	1.7
179.93042	0.8
181.64684	0.7
183.10378	0.9
197.04539	1.5
217.41565	0.7
297.06143	0.8
375.08469	0.8
415.23581	1.5
457.21350	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	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
57.03439	0.5
59.01380	100.0
59.57980	0.2
60.01714	1.3
61.98832	0.5
71.01378	4.3
72.99320	0.3
73.02945	1.5
73.38444	0.3
75.00849	0.3
77.06185	0.3
83.01387	0.6
85.02960	2.6
87.00882	0.5
89.02459	1.0
93.03420	0.2
95.01426	0.5
99.00927	0.5
101.02454	2.1
108.02179	0.7
109.02956	2.7
113.02451	3.1
125.02385	0.2
128.79364	0.2
135.04544	0.6
137.02472	0.5
141.67043	0.2
143.03491	0.3
152.01176	0.9
153.01933	2.9
159.03012	0.3
161.04555	1.2
181.08430	0.3
253.18094	2.3
269.55450	0.3
273.64539	0.3
315.07285	0.3
397.22223	2.5
411.97583	0.3
415.23346	2.9
416.23633	0.4
457.13052	3.0
457.24359	0.5
458.14291	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	457.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62050	1.0
56.70109	0.8
57.03442	1.9
57.85077	0.8
59.01381	100.0
60.01708	1.3
61.10099	0.9
61.98816	1.7
67.36991	0.8
70.84499	0.8
71.01387	10.8
73.02963	6.0
80.37236	0.8
80.96508	2.7
83.01366	2.1
85.02949	3.6
87.00861	1.3
89.02439	3.6
96.96015	5.6
99.00906	1.3
101.02438	5.9
108.02179	2.4
109.02951	1.4
113.02449	3.7
125.76653	1.2
134.06119	2.3
135.04526	2.8
145.02917	1.5
151.04044	0.9
152.01178	1.1
153.01846	0.9
161.02383	1.7
161.04601	3.5
179.03568	1.1
218.04616	0.9
297.12830	0.9
315.07111	1.3
397.13861	3.1
457.15918	4.3
457.33176	2.2
458.16086	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	457.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62050	1.0
56.70109	0.8
57.03442	1.9
57.85077	0.8
59.01381	100.0
60.01708	1.3
61.10099	0.9
61.98816	1.7
67.36991	0.8
70.84499	0.8
71.01387	10.8
73.02963	6.0
80.37236	0.8
80.96508	2.7
83.01366	2.1
85.02949	3.6
87.00861	1.3
89.02439	3.6
96.96015	5.6
99.00906	1.3
101.02438	5.9
108.02179	2.4
109.02951	1.4
113.02449	3.7
125.76653	1.2
134.06119	2.3
135.04526	2.8
145.02917	1.5
151.04044	0.9
152.01178	1.1
153.01846	0.9
161.02383	1.7
161.04601	3.5
179.03568	1.1
218.04616	0.9
297.12830	0.9
315.07111	1.3
397.13861	3.1
457.15918	4.3
457.33176	2.2
458.16086	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	457.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03450	0.3
59.01381	16.5
60.07602	0.3
61.98827	0.7
71.01376	2.0
72.99309	1.5
73.02937	0.9
76.63699	0.3
83.01379	0.3
85.02927	1.1
89.02441	0.5
96.95983	0.4
97.06575	0.4
97.22429	0.3
98.20664	0.6
98.56084	0.3
99.00851	0.3
101.02442	1.3
109.02981	0.4
113.02439	1.0
117.03468	29.5
118.03806	1.0
119.05031	8.9
121.02958	0.5
123.04541	0.4
133.02936	1.3
135.04549	1.6
136.22661	0.3
137.02390	0.5
145.02954	100.0
146.03293	4.6
147.04575	0.5
151.04001	0.9
152.04417	0.4
161.02451	4.5
161.04520	0.6
162.02753	1.9
163.04027	10.8
179.03474	0.9
187.03896	0.5
187.07689	0.4
219.10292	0.3
220.06181	0.3
284.57703	0.3
293.10156	0.4
294.10544	0.5
295.10904	0.6
299.38187	0.3
397.12881	3.9
398.13284	0.7
415.14313	0.3
457.15070	20.5
457.33453	5.6
458.15338	3.1
458.33862	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	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03446	0.7
58.00351	0.6
58.00580	3.4
59.01382	88.7
60.01709	0.8
61.98834	4.2
67.01905	0.6
69.03457	7.7
69.57374	1.3
69.57791	2.2
71.01386	75.9
72.01730	1.2
72.99317	3.3
73.02950	13.9
75.00871	3.1
78.72530	0.5
79.01898	0.7
81.03463	4.9
83.01387	5.0
85.02959	8.2
87.00870	2.5
89.02448	100.0
90.02785	1.9
93.03484	0.5
95.01394	2.1
96.96017	0.7
97.02950	12.8
99.00887	16.5
99.04523	3.1
101.02448	17.4
107.08618	0.5
109.02988	1.1
111.00870	2.0
113.02457	8.7
115.04021	7.9
119.03505	2.0
125.02447	49.1
126.02764	1.5
127.04016	1.8
131.03511	10.7
135.04477	2.0
136.04868	0.6
137.02365	0.6
143.03510	3.6
147.04501	5.1
148.05312	59.7
149.04573	13.6
149.05650	2.5
155.03468	0.7
161.02438	0.8
161.04526	2.5
161.05978	1.2
163.07643	15.2
164.07962	1.2
173.04472	0.9
173.13321	0.9
179.03416	0.6
189.05577	0.5
191.05606	8.5
198.07275	0.5
215.05618	0.9
233.06665	37.0
234.07011	1.6
293.08783	26.3
294.09024	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	457.1505
Annotation	Kadangustin B
Peak:m/z	Relative Intensity
55.01865	0.5
57.03447	0.4
59.01088	0.8
59.01379	13.7
68.99822	3.7
69.84741	2.1
71.01382	3.2
72.86906	0.4
72.99301	7.4
73.02943	1.3
74.23074	0.4
83.01380	0.9
85.02957	1.8
89.02428	0.4
93.03456	0.5
95.01419	0.4
99.00857	0.9
101.02451	2.0
107.05013	0.5
113.02448	1.5
115.05542	1.3
117.03468	30.4
118.03828	1.2
119.05024	15.2
120.05402	0.5
121.02946	0.9
133.02960	3.3
135.04512	1.2
143.05023	22.8
144.05388	1.5
145.02950	100.0
146.03271	4.1
150.03227	0.8
159.03174	0.4
159.04520	2.3
161.02441	11.3
161.04572	1.3
161.06061	1.5
162.02846	0.8
163.04010	9.5
179.03506	0.9
187.03998	34.3
188.04300	2.1
189.09163	2.0
201.09200	1.3
205.05048	1.1
219.10344	1.8
263.09198	3.6
269.10199	2.1
295.11609	0.6
337.09351	0.6
397.12949	7.2
398.13348	0.9
415.14130	3.4
429.02161	0.5
457.15015	29.5
458.15323	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17065	1.4
55.04340	1.6
57.03455	6.2
58.00589	1.5
58.74126	1.5
59.01089	2.8
59.01381	43.8
59.43171	1.4
71.01392	15.9
71.11378	1.5
71.64838	1.7
71.76717	1.4
72.99323	4.4
83.01412	2.3
83.05053	2.3
85.02953	44.5
86.03291	1.9
89.02454	11.2
93.03423	3.6
93.42516	1.4
96.95972	3.7
99.00887	1.6
99.92523	1.8
101.02448	7.3
109.02963	2.3
113.02453	33.3
114.02835	1.7
115.04017	2.1
115.97300	1.6
116.92852	2.5
117.03479	14.7
117.92845	2.1
118.92634	3.9
119.03526	4.5
119.05027	51.0
120.05368	2.6
121.02955	4.6
123.04537	9.6
125.06072	1.7
130.08739	3.9
131.03487	7.7
132.05835	2.3
132.34018	1.7
133.02965	2.0
133.06592	14.9
135.04544	6.1
137.02438	6.8
137.06071	1.7
145.02957	75.6
146.03281	5.0
147.04524	2.1
152.01181	2.3
161.02461	4.0
161.04694	2.2
161.06076	36.9
162.06331	2.6
163.04015	64.1
164.04373	3.0
175.03909	1.9
177.05542	12.2
177.09233	3.6
179.03470	5.1
187.04050	3.2
197.04485	3.0
203.03525	2.9
203.10754	4.7
205.05054	52.2
206.05426	3.3
235.06116	59.1
236.06390	3.9
262.04803	2.6
265.07162	100.0
266.07520	7.4
277.07199	2.8
311.10138	4.1
325.09317	20.3
326.09592	3.0
346.05157	1.8
359.09744	2.3
457.12717	4.8
457.17511	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	456.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
58.90856	0.7
59.01380	43.0
60.01714	1.2
61.98832	100.0
69.03453	0.8
71.01384	5.2
72.99321	1.3
73.02949	1.6
81.03506	1.6
83.05053	1.8
85.02945	3.6
86.00852	0.7
89.02460	1.7
90.39758	0.8
95.01385	0.7
95.05022	3.5
97.06595	3.1
101.02455	3.7
108.02180	5.9
109.02971	3.9
109.06605	1.9
113.02449	1.8
115.81436	0.7
117.03529	0.9
119.05057	1.0
123.04567	1.0
133.02942	1.5
135.04544	3.3
136.04874	0.9
137.02495	1.0
142.05386	0.7
145.03006	3.2
146.03311	1.6
152.01160	7.9
153.01938	3.5
159.06613	0.9
160.01698	0.8
161.02446	4.7
161.04567	1.5
162.02789	1.2
163.04094	0.9
174.75572	0.9
175.04025	0.8
175.07660	1.1
177.09212	7.9
179.03528	1.5
197.04515	0.9
198.05731	0.7
221.08240	2.2
307.17743	3.2
315.24228	0.7
329.68027	0.7
349.18591	1.9
415.23547	1.0
457.13553	8.6
457.19119	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	457.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73755	0.3
59.01380	22.8
61.65822	0.2
68.70156	0.3
71.01378	2.1
72.99306	1.2
73.02947	0.8
75.80020	0.3
78.95924	0.3
79.95736	1.8
85.02951	1.0
87.59074	0.3
89.02448	0.7
96.96011	100.0
97.95947	0.4
98.19740	0.5
99.00908	0.3
99.92618	0.4
101.02453	1.5
104.67018	0.3
108.02173	0.6
109.02964	0.4
112.26855	0.2
113.02428	1.0
123.04553	0.4
127.69916	0.3
133.02954	0.8
135.04515	1.2
138.91019	0.3
145.02992	0.6
145.86842	0.3
147.04514	2.8
152.01105	0.3
161.02448	5.1
161.04498	0.5
161.06081	0.7
163.04013	0.3
179.03511	0.9
197.04527	1.1
242.94131	0.3
253.18005	0.4
309.12091	0.4
359.07736	1.0
415.23691	0.5
457.16586	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	457.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
59.01380	21.1
61.98824	2.2
62.01472	0.7
69.03465	2.1
69.40205	6.2
71.01391	7.4
72.99342	0.9
73.02952	4.6
81.03465	5.4
83.01408	1.6
83.05018	7.0
85.02946	8.0
85.89776	0.6
87.00896	1.6
89.02455	1.5
93.03451	2.0
95.01380	2.1
95.05032	16.1
97.02927	1.0
97.06590	22.6
98.06863	0.9
98.19917	1.5
99.00929	1.0
101.02458	5.3
104.71582	0.6
107.05019	0.7
108.02174	49.7
109.02965	29.7
109.06565	6.1
111.04523	1.1
113.02460	2.8
115.07648	3.2
121.02950	1.2
123.00929	1.2
123.04499	3.7
125.06113	0.7
131.05051	0.9
133.06546	1.2
135.04533	1.3
135.08151	4.3
139.07637	1.2
141.05623	2.3
145.02925	0.9
151.03984	1.7
152.01154	71.1
153.01945	21.6
154.02274	1.3
155.07169	2.8
159.06628	12.3
159.08031	1.8
160.06960	0.9
161.02417	1.4
161.04576	1.9
161.06079	1.3
163.03995	1.5
175.07643	1.8
177.09215	26.6
178.09555	2.0
179.07185	2.1
183.06639	3.9
195.10335	1.7
197.04593	0.8
207.06587	0.8
221.08203	8.4
235.08154	1.1
239.09178	0.9
243.08707	1.7
315.07141	1.9
413.14560	1.9
428.53311	0.8
455.99210	0.8
457.12976	100.0
458.13290	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	455.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47719	0.2
55.69552	0.2
59.01367	0.3
70.87961	0.5
82.10606	0.2
88.58174	0.2
98.49302	0.2
153.09195	0.6
161.02362	0.3
296.43625	0.2
337.13187	0.2
415.46564	0.2
455.35284	100.0
456.35629	19.6
473.26846	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	455.3531
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
61.98849	0.4
70.32498	0.5
70.32845	1.1
98.19886	0.4
119.62646	0.4
120.98918	0.3
221.73524	0.4
297.40170	0.4
455.35287	100.0
456.35638	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	455.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36240	0.3
53.54284	0.3
57.77862	0.3
58.68556	0.4
69.36004	2.9
101.15136	0.3
131.20857	0.3
205.79518	0.3
407.33102	0.6
416.41498	0.4
455.35287	100.0
456.35632	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	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73781	0.8
57.03448	1.4
59.01381	47.4
60.01708	1.1
61.98833	100.0
70.49541	0.9
71.01379	6.3
71.64107	1.2
72.99308	2.8
73.02934	1.9
80.85632	1.0
81.03436	2.0
83.05033	2.8
85.02974	1.9
89.02428	1.9
95.01383	0.9
95.05038	2.6
96.96011	1.3
97.06585	2.1
101.02453	4.5
103.91512	0.9
108.02187	3.9
109.02982	5.8
109.06592	1.8
113.02457	2.8
117.03523	1.1
119.05010	1.4
120.10853	0.9
123.04531	1.8
126.90641	0.9
133.02934	1.4
134.03632	0.9
135.04536	4.8
137.02426	1.6
145.02953	4.0
146.03282	2.3
152.01147	5.4
153.01913	3.9
161.02458	5.2
161.04553	1.7
161.06088	1.4
162.02756	1.2
175.03999	1.0
175.26041	1.0
177.09181	6.6
179.03476	1.5
209.11653	1.4
221.08153	1.4
221.19974	0.9
223.24132	1.0
278.96725	1.1
307.17603	4.0
308.17859	1.3
349.18658	1.6
456.30716	2.7
457.13440	10.4
457.18320	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	455.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61434	0.8
55.01875	2.9
57.03444	3.2
58.00594	2.4
59.01381	51.5
61.98836	4.2
69.03466	2.8
70.26035	2.7
71.01382	68.6
72.01689	1.0
72.99301	5.4
73.02948	22.3
75.00881	1.9
79.95754	1.0
81.03494	1.2
83.01392	9.0
85.02953	24.9
85.06623	1.2
85.20822	0.8
87.00881	5.3
87.45424	0.8
89.02444	52.2
90.02766	1.1
93.03460	28.7
95.01395	5.5
96.96011	42.3
97.02968	4.0
97.06564	0.8
99.00886	15.6
99.04539	1.4
101.02445	57.5
102.02820	1.3
108.02172	1.2
109.02950	4.4
111.00850	1.5
113.02454	22.0
115.04016	4.1
116.92867	2.8
119.03509	9.5
125.02450	6.4
129.01978	0.9
129.09256	1.2
131.03511	8.8
131.07147	7.3
137.02451	40.5
138.02817	1.4
139.03967	0.9
143.03517	3.3
147.11285	0.9
149.04556	17.9
159.02998	3.5
159.04364	1.8
161.04546	17.5
161.11830	5.3
161.15425	0.9
163.83133	0.8
179.05672	3.4
191.05650	4.3
203.03468	1.3
205.03476	0.9
233.06674	5.5
251.07773	1.0
269.08157	1.0
293.08804	3.4
323.17111	48.8
324.17511	4.6
357.06284	2.8
455.21445	100.0
456.11737	1.3
456.21658	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	455.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68091	0.4
59.01360	0.9
67.68672	0.4
71.31268	0.6
72.99283	0.4
74.95434	0.4
78.95897	7.8
80.01879	0.4
81.40288	0.4
133.02899	0.7
150.08044	0.4
151.03993	0.7
152.99586	16.5
161.02422	3.1
171.00655	1.6
181.12312	1.2
227.03256	3.2
227.20161	100.0
228.20464	9.4
245.04323	1.8
293.10596	0.6
326.65634	0.5
455.24213	23.9
455.31079	1.5
455.35895	0.8
456.24545	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	455.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	0.6
59.01379	8.6
71.01377	3.1
71.39655	0.4
72.99308	45.5
73.02945	1.6
73.99608	0.5
83.01391	0.7
85.02978	0.8
87.26744	0.4
89.02448	1.6
90.57938	0.3
93.03441	0.5
97.06586	2.5
101.02445	2.3
105.03481	0.5
109.03018	0.4
113.02525	0.6
113.92210	0.4
119.03515	0.7
121.02961	3.4
122.03724	1.1
123.04517	2.9
132.02179	1.7
133.02957	27.7
134.03658	1.9
135.04527	7.7
137.02437	1.8
146.03714	1.8
147.04477	0.9
149.02435	1.6
150.03221	6.6
151.04037	3.6
156.55087	0.4
158.03709	0.8
159.04498	2.0
161.02444	100.0
162.03214	23.4
162.06842	0.6
163.03651	1.1
172.05350	1.0
173.06114	1.3
174.03235	3.9
175.03876	0.7
175.07707	0.4
176.04747	0.7
177.09146	0.7
178.02718	3.5
179.03482	4.9
180.03853	0.5
185.09683	0.4
187.04034	2.2
187.07640	4.3
187.09337	0.7
188.04761	0.6
191.10802	2.0
192.04318	0.9
198.86000	0.4
201.09201	3.1
202.06325	1.5
203.06871	0.5
203.10785	4.2
205.08662	1.5
205.12358	1.2
206.09505	0.6
213.09189	4.4
214.09654	0.5
215.07089	1.1
216.07861	1.3
218.09421	0.7
219.10260	18.0
220.10634	1.2
221.11769	0.5
229.08763	0.7
231.10255	9.6
232.10516	0.9
247.09805	1.1
249.11310	3.8
265.10727	0.7
274.71362	0.4
275.09201	5.4
293.10309	64.1
294.10648	6.2
455.13760	2.5
455.23318	3.1
456.23230	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	455.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40411	0.6
69.03454	1.2
69.37843	6.5
72.99309	79.8
73.99654	1.7
87.00876	1.0
97.06594	8.8
98.72223	0.8
106.58115	0.8
109.02924	0.8
121.02951	6.5
122.03773	1.3
123.04527	4.5
132.02193	1.0
133.02965	24.1
134.03706	3.0
135.04507	6.3
137.02440	3.3
139.03967	0.9
146.03737	1.2
147.04480	1.3
149.06100	1.1
150.03201	1.3
151.04018	1.8
159.04434	1.5
159.08127	1.7
161.02444	85.2
162.02760	4.8
163.07581	1.6
172.05328	2.3
173.06065	3.5
174.06883	1.0
175.03993	1.8
175.07654	3.7
176.04800	2.1
178.02728	6.5
179.03465	4.4
182.57893	0.7
187.03984	1.0
187.07637	22.5
188.07915	1.9
190.06358	7.9
200.04721	1.2
201.05551	1.2
201.09227	2.8
202.06354	5.5
202.10130	0.8
203.07050	1.2
203.10727	1.6
204.07841	0.9
205.08682	3.4
213.09209	5.9
214.09521	0.8
215.07109	2.4
219.10265	21.0
220.10574	2.5
229.08708	1.5
231.10255	12.1
232.10527	1.5
246.05539	0.7
257.08234	1.6
275.09259	11.6
293.10312	100.0
294.10678	10.9
311.11612	0.9
455.13367	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	455.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.1
61.98830	2.2
65.26157	0.2
71.01382	1.1
71.78376	0.2
72.99300	0.6
73.02941	0.5
78.95918	0.3
83.01405	0.3
85.02946	0.6
89.02447	0.5
93.03476	0.5
96.96028	0.6
96.96934	0.3
98.95607	0.4
99.00883	0.8
99.92588	12.7
100.92596	0.7
100.93369	1.3
101.02431	0.5
103.00391	0.5
107.05030	0.3
108.02173	1.5
109.02992	1.4
113.02469	0.4
115.92081	25.0
116.92863	100.0
117.92882	6.9
117.93699	0.5
119.05033	0.4
124.48486	0.2
133.02954	0.3
135.04527	0.9
137.02463	0.8
140.92857	0.3
141.93610	0.6
142.94437	0.7
144.92368	0.2
145.02971	0.4
152.01112	1.3
153.01898	1.5
153.13730	0.2
156.92339	0.4
157.93143	0.2
158.93901	0.5
161.02385	0.8
163.04008	0.7
169.38968	0.2
169.93152	0.4
170.93922	0.3
174.93359	0.4
179.03499	0.5
181.04958	0.3
184.91875	1.4
184.95470	0.3
185.92496	0.2
186.93437	0.4
193.73410	0.2
196.95389	0.4
197.35677	0.3
205.05060	0.5
205.08635	0.2
219.06688	0.3
226.96732	0.3
231.06557	0.3
251.00258	0.3
251.86995	0.2
259.10028	0.2
291.33804	0.2
293.06607	0.4
315.07211	0.4
333.00851	0.5
351.01773	2.6
352.02243	0.8
369.02893	3.2
370.03018	0.4
393.02756	1.2
411.03870	2.9
412.04153	0.5
419.00729	1.3
455.02887	7.5
455.11353	1.7
456.03125	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	455.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
59.39324	0.3
71.01378	0.6
71.05016	0.3
72.99310	19.0
81.03443	0.3
82.93291	0.3
95.25336	0.3
97.06575	0.7
101.26532	0.3
105.03480	0.7
107.05032	0.4
109.03011	0.7
121.02932	1.9
122.03760	0.8
123.04536	4.1
132.02191	1.4
133.02957	26.8
134.03804	4.4
135.04530	7.4
136.04848	0.4
137.02437	4.7
139.04027	1.7
149.02432	1.6
150.03212	0.7
151.04015	14.3
151.05237	0.8
152.04358	1.0
160.01477	0.4
161.02443	100.0
162.02763	5.8
171.10278	0.7
177.01906	0.8
178.02719	10.3
179.03474	7.8
180.03842	0.4
187.07664	1.0
195.02995	1.9
196.03728	1.6
202.09601	0.5
219.10326	0.6
231.10301	1.3
275.09225	1.6
293.10303	14.3
294.10684	1.3
324.45169	0.4
370.26996	0.4
392.17218	0.3
410.97058	0.4
455.13504	1.1
455.31049	5.1
456.31854	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	454.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07537	0.8
55.01871	1.0
59.01380	39.6
59.71253	0.8
61.60528	0.9
61.98832	100.0
71.01389	5.0
71.62346	1.5
72.34628	1.1
73.02955	1.3
76.06235	1.0
78.40381	0.9
83.01427	1.1
85.02924	2.5
89.02444	2.4
93.03478	1.9
95.01370	1.2
96.96011	2.1
101.02441	3.5
104.90794	1.0
108.02186	3.8
109.02967	3.7
113.02447	3.1
117.12537	1.0
119.05011	2.3
123.04487	1.7
127.00367	1.0
133.02948	1.4
135.04539	4.9
137.02449	2.4
137.93053	0.9
145.02936	3.5
152.01187	3.6
153.01942	2.6
161.02411	2.6
161.04619	1.8
162.02995	1.0
163.04033	3.5
163.38914	0.9
177.05499	1.0
179.03458	1.9
212.43721	0.9
295.21204	1.1
305.15973	2.0
315.07162	1.2
318.57504	1.1
347.17111	2.1
454.20441	1.3
454.26926	1.2
455.11963	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	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.3
61.98833	100.0
71.01388	4.1
72.99305	13.8
84.34364	1.0
89.02452	3.2
98.20635	2.5
101.02459	2.7
109.02991	1.2
113.02438	1.2
121.02874	1.2
123.04501	2.4
133.02960	18.6
134.03717	3.1
135.04523	9.6
137.02422	3.5
151.03999	8.4
161.02448	60.0
162.02902	1.3
178.02707	6.4
179.03458	6.5
180.03790	1.1
187.07652	3.2
215.07271	1.5
219.10257	1.2
228.07387	1.1
231.10310	2.7
275.09158	2.0
275.19962	2.5
277.76160	1.2
293.10287	13.1
316.54196	1.4
371.17532	1.1
416.21069	1.1
454.30289	4.7
455.26309	5.1
455.31714	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	455.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67543	0.2
59.01389	0.4
61.78571	0.2
70.78720	0.2
71.19868	0.2
71.62293	0.4
79.95741	2.7
96.96012	100.0
97.95932	0.4
98.95566	0.7
99.92574	0.8
102.85589	0.2
108.02202	0.3
109.02954	3.7
115.92068	0.4
121.77191	0.2
135.04518	0.5
137.02477	0.2
140.15121	0.2
159.04533	1.1
161.02425	0.4
179.03532	0.3
203.03543	0.5
237.05632	0.3
253.05052	0.8
254.05940	0.3
265.05219	0.4
269.08142	1.5
282.04944	0.4
309.04111	0.6
313.07092	0.7
314.07224	0.3
335.97141	0.3
357.06192	2.3
364.97726	0.3
374.98087	0.4
392.96964	0.4
406.95041	0.2
455.11380	0.3
468.12759	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	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29543	1.7
59.01396	1.9
61.98835	2.6
71.62852	1.6
78.95903	46.9
96.96975	4.8
152.99591	58.1
160.99254	1.6
171.00647	17.4
215.85493	1.7
225.18597	64.1
226.18886	5.8
227.03288	4.0
245.04303	100.0
246.04692	5.5
292.09961	1.6
453.22583	34.2
453.29990	9.3
454.22794	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	453.337
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
60.99288	0.3
69.33950	1.1
69.34361	0.3
71.05013	0.5
83.05014	0.2
85.06588	0.2
95.05022	0.2
97.06590	4.0
100.17464	0.1
110.25056	0.2
154.81154	0.1
156.19469	0.1
188.52776	0.1
246.15334	0.1
248.51527	0.1
251.02306	0.1
355.26395	0.4
374.25925	0.2
375.26935	0.5
377.28506	0.2
385.33456	0.1
389.28586	0.8
390.28683	0.2
391.25034	0.3
391.30066	5.8
392.30405	0.9
399.69577	0.1
403.30078	0.4
405.31610	3.4
406.31812	0.6
407.33203	10.2
408.33548	1.7
423.29065	1.2
424.29391	0.2
425.34048	0.2
437.30664	1.0
438.30936	0.2
439.32315	1.0
440.32507	0.4
441.33722	0.3
449.18726	0.2
451.32391	0.3
453.33731	100.0
454.34064	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	453.3373
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
52.02131	0.2
58.72162	0.2
63.31717	0.2
65.69270	0.2
66.21980	0.2
69.32407	0.2
71.43006	0.3
71.43347	0.2
97.06581	0.3
97.88996	0.2
123.43253	0.2
231.13664	0.2
279.23438	0.2
405.31741	0.3
407.33240	1.0
453.33734	100.0
454.34061	19.3
454.54492	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	453.18
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27754	0.9
57.03445	1.1
58.99607	15.1
59.01385	14.8
61.98835	1.7
65.51735	1.0
66.20866	0.9
68.11063	1.0
71.01379	12.9
71.62785	1.1
72.99323	1.0
73.02947	4.7
83.01361	1.6
85.02943	5.5
86.57510	0.9
87.00877	25.9
88.01180	1.1
89.02432	3.2
99.00878	1.6
101.02434	7.8
102.98598	97.3
108.02153	1.8
109.02954	6.8
113.02424	4.2
117.03452	0.9
119.05086	0.9
129.75832	0.9
134.03738	1.3
135.04541	4.1
137.02399	0.9
139.11287	9.0
145.02945	5.9
147.04572	1.3
149.06088	1.0
152.01183	1.0
153.01888	2.7
159.02908	1.3
159.04527	1.4
161.02414	3.6
161.04549	5.8
163.04004	6.3
175.03946	1.9
179.03532	1.6
179.05603	1.2
203.03534	5.0
203.10991	2.1
249.06166	18.1
250.06502	1.9
262.01563	0.9
267.06546	1.5
283.04922	100.0
284.05167	5.8
365.13785	1.8
409.12299	1.4
453.12866	0.9
453.17905	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	453.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34587	1.8
55.01896	1.3
59.01380	26.2
60.99239	1.2
61.98820	7.2
71.01387	11.9
72.00913	8.6
72.99307	32.2
73.02941	4.4
74.02470	4.7
80.98782	1.5
83.01434	1.3
85.02951	3.6
87.00845	1.7
88.43988	1.4
89.02449	13.3
92.05057	8.7
93.03475	1.8
96.96035	7.2
99.00890	9.1
100.04041	6.0
101.02461	6.5
107.04992	2.0
108.02191	6.1
109.02994	8.0
113.02434	4.2
114.93397	5.3
116.05067	11.7
119.03476	2.1
119.32689	1.2
123.04531	12.8
131.03496	1.9
134.03732	7.5
135.04526	100.0
136.04868	4.2
142.06607	34.5
143.06932	2.6
149.04559	2.3
152.01132	4.8
153.01939	6.6
154.06610	2.0
155.02444	1.6
156.06911	2.7
156.08162	6.8
158.09770	3.3
159.10143	1.3
161.04611	1.9
163.04018	3.1
166.06583	3.9
167.06055	2.1
168.08168	11.6
169.07710	49.3
170.08031	4.1
179.03496	26.4
179.05077	1.6
180.03833	1.6
182.06122	2.4
183.09224	3.2
185.10846	25.1
191.05585	1.8
194.06020	3.7
197.04547	66.2
198.04924	3.6
199.06250	1.9
211.08745	5.1
212.07152	1.4
212.60515	1.3
213.06665	5.5
229.09837	18.6
230.10129	1.8
238.05089	4.3
239.05481	2.3
255.07710	12.0
256.07999	1.5
273.08801	83.1
274.09232	8.9
321.15451	2.2
453.09042	10.2
453.19366	35.4
454.19669	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	452.2783
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
62.96416	0.4
78.95906	19.0
122.00127	0.7
140.01195	4.3
152.99576	1.1
171.00606	0.2
181.31824	0.2
187.11378	0.2
196.03793	9.7
197.04141	0.4
214.04895	1.8
215.05109	0.2
215.28827	0.2
246.19911	0.2
255.23288	100.0
256.23630	9.9
452.27802	24.6
453.28171	3.7
472.87936	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	453.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
61.66285	1.0
61.98838	1.4
69.98513	1.0
72.99333	1.4
93.03458	1.5
96.96014	9.3
98.20628	2.3
107.05045	1.5
108.02182	1.9
109.02953	22.4
109.06589	1.3
110.03252	1.3
110.91441	1.0
119.05032	1.4
123.04483	2.2
129.03514	1.0
133.02945	5.7
135.04541	9.3
137.02417	1.5
145.02968	13.0
146.03716	2.9
147.04514	10.0
148.05197	1.7
149.02458	8.2
149.06097	12.6
150.03209	2.1
151.03963	1.9
151.84114	1.1
152.01120	1.1
159.04491	6.5
161.02441	4.8
161.06096	1.4
162.03181	2.3
163.04010	36.1
164.04253	1.7
169.59038	0.9
172.05283	4.4
173.02446	11.5
173.06084	5.0
174.03030	1.2
175.03963	3.6
175.07614	1.2
176.04787	2.4
177.05611	1.5
179.03551	1.9
185.06041	1.9
187.04028	5.4
187.07642	10.1
188.04773	8.1
189.01952	5.1
189.05498	2.0
189.09076	1.3
190.02713	1.4
191.03499	100.0
192.03838	6.4
193.05113	1.5
196.05280	1.7
197.06085	1.6
199.07579	1.7
200.04739	2.9
201.05516	3.0
201.09190	1.1
202.06076	1.3
203.03511	6.6
205.08655	1.9
211.07654	8.4
213.05576	1.3
214.06378	1.3
215.03679	1.3
215.07080	10.1
216.04378	2.3
216.07755	2.7
217.05042	2.5
217.08681	10.5
229.08690	4.3
244.83038	1.0
255.10309	1.2
256.15057	1.0
257.08316	1.1
259.06134	7.0
275.09323	1.4
277.05038	2.1
278.05768	1.3
278.09604	1.2
291.06354	1.3
292.07346	2.9
296.33051	0.9
299.09128	5.2
307.09689	2.4
311.05661	1.2
317.08017	1.3
321.11359	7.8
322.11841	2.3
336.82846	1.0
347.12857	2.9
351.12302	2.0
365.14050	6.5
374.90485	1.1
391.11789	3.2
409.12939	13.5
410.13007	2.1
453.12799	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	451.283
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17077	0.4
69.78260	2.5
78.95906	13.4
79.68049	0.5
110.98537	10.3
134.85440	0.4
151.45100	0.5
152.99571	0.6
158.28822	0.4
167.01146	10.1
185.02180	2.6
193.33055	0.5
283.26425	100.0
284.26785	11.7
451.28305	19.4
452.28400	2.3
453.28870	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	451.2853
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
54.23891	0.3
59.01373	0.7
60.99308	2.2
61.98820	0.5
71.01390	0.4
71.35201	0.5
71.35529	0.4
73.33642	0.3
83.19119	0.3
96.47003	0.3
101.68062	0.3
102.73558	0.3
119.08655	0.5
145.47156	0.3
148.38609	0.3
169.99869	0.3
187.11206	0.5
219.71957	0.3
221.13286	0.4
225.37733	0.3
245.39145	0.3
318.63474	0.3
337.19626	0.6
339.21329	0.6
353.22766	1.1
354.23160	0.5
355.24399	2.3
371.27396	2.1
373.25211	0.7
375.26917	0.9
379.26346	0.8
387.26834	0.7
403.26404	1.2
407.29578	1.2
419.26514	0.3
421.27475	2.2
422.27661	0.3
433.27509	0.9
451.28537	100.0
452.28882	17.9
452.35394	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	451.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	0.4
59.01384	1.0
61.98815	0.4
65.41455	0.2
71.01392	0.3
71.18892	0.4
71.19234	0.2
72.19613	0.2
75.00871	0.2
80.05043	0.2
81.02973	0.3
81.03459	7.5
83.05026	24.5
84.05369	0.6
89.02397	0.2
93.03465	0.4
100.18913	0.2
107.06143	0.7
108.02203	0.2
108.04552	0.8
123.00861	0.3
124.01683	0.6
125.02425	1.3
125.07201	3.0
126.05606	0.3
135.04497	0.2
137.02431	0.6
143.08252	1.5
149.99608	1.1
153.01915	0.3
157.13477	0.2
168.00626	1.9
196.07117	0.2
207.15033	3.0
208.13399	0.2
224.17676	4.3
225.16078	12.2
226.16376	0.7
242.18730	1.8
250.15617	0.4
268.16495	0.3
281.06674	0.2
290.22415	0.3
307.23938	0.2
309.21808	0.5
324.26514	1.6
325.26807	0.3
333.22940	4.1
334.23184	0.4
351.24103	1.0
367.27109	1.6
385.28171	0.4
409.32703	0.2
433.31784	5.2
434.32220	0.7
451.08722	3.4
451.32886	100.0
452.09186	0.3
452.33221	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	452.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99777	0.5
59.01381	25.6
61.98832	100.0
71.01389	2.1
72.99319	2.5
73.02953	1.2
85.02972	1.0
89.02437	0.6
98.19838	1.3
99.01005	0.9
101.02447	2.5
102.83178	0.6
109.02936	3.8
113.02490	1.0
133.02959	3.5
135.04547	3.3
137.02498	1.0
145.02975	1.9
146.03770	4.6
147.04575	0.7
158.03712	0.6
159.04498	5.7
161.02443	13.7
161.04533	0.5
174.03221	0.8
175.04033	1.2
178.66823	0.6
179.03523	0.8
189.01985	1.0
197.06081	0.8
198.06902	1.4
201.09213	0.6
202.02753	0.8
203.03520	2.7
211.07649	1.6
211.69250	0.7
217.08675	0.9
221.06026	0.6
223.07594	0.6
225.05576	4.6
239.07173	2.3
241.05043	0.7
249.14972	1.6
250.06326	1.1
253.05171	1.8
255.06630	1.3
265.05026	0.7
266.05786	1.3
267.06610	14.5
268.07373	5.9
281.25888	0.7
283.06232	2.5
291.08768	3.2
303.18106	2.8
310.04767	0.7
311.05545	8.0
311.08505	0.7
312.06329	4.4
453.11765	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	451.182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.2
59.01379	22.6
61.98828	1.4
67.66518	0.7
69.33629	5.8
71.01382	13.1
72.99308	100.0
73.02963	0.7
73.59883	0.6
73.99662	1.5
75.00871	10.7
85.02954	1.2
89.02445	20.6
92.12193	0.6
99.00879	15.7
100.01194	0.6
101.02448	2.3
113.02450	2.3
117.01952	7.9
117.03460	1.7
119.03501	0.7
120.99731	0.6
127.95355	0.6
131.03528	1.6
135.02995	2.6
135.04485	1.5
145.02954	5.2
149.04539	2.7
150.69069	0.6
161.02451	1.3
163.03967	1.0
164.66142	0.6
173.00940	0.6
192.53960	0.6
197.04662	0.7
209.06117	0.7
237.05762	0.7
249.06071	0.9
265.04984	1.4
267.07193	80.3
268.07532	4.4
272.13211	0.6
309.04181	0.7
323.06131	4.9
407.11658	1.4
451.09998	1.1
451.17725	4.1
451.28772	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	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61923	0.9
55.01880	0.9
59.01383	42.3
60.01726	0.7
61.98840	6.3
68.99759	0.8
69.03456	1.8
71.01381	10.0
71.62492	0.7
71.62881	1.4
72.99312	3.5
73.02946	4.4
75.00877	1.2
81.03492	0.9
83.01385	3.1
85.02965	5.0
87.00878	4.8
89.02462	4.0
93.03463	47.6
94.03797	2.4
95.01401	1.5
97.02972	2.5
99.00889	3.1
101.02454	8.3
101.10527	0.8
107.01406	0.9
108.02197	3.9
109.02953	3.6
113.02438	5.2
117.03474	5.1
119.03508	1.7
119.05033	3.9
121.02976	1.6
123.00901	9.4
123.04494	1.3
124.00820	1.2
124.01670	16.3
125.02453	38.5
126.02757	1.3
133.02965	2.3
135.04539	3.9
136.01688	1.3
137.02454	70.8
138.02780	4.2
141.01955	1.1
141.09242	5.8
143.05058	3.9
145.02966	15.7
149.99591	32.1
151.00427	4.1
152.01099	1.6
153.01953	5.3
159.03065	1.0
161.02438	3.6
161.04613	2.0
163.03990	4.1
167.03499	2.4
168.00653	75.8
169.01430	12.8
170.01787	0.9
179.03474	2.5
183.04637	1.0
187.04018	6.8
209.06143	2.9
211.04056	1.0
227.03546	5.8
237.05493	4.0
248.04869	1.0
253.05119	1.1
255.06424	0.9
264.04364	1.1
265.05038	5.9
266.05652	1.4
267.06946	3.0
281.04434	1.1
295.04425	1.3
309.03922	2.5
310.04791	1.8
311.05377	0.9
313.05658	20.1
314.06213	1.5
331.06696	35.5
331.17618	7.2
332.07050	2.5
332.17792	1.0
349.18591	10.6
349.22424	1.2
350.18942	1.2
354.03818	1.4
363.12540	1.0
391.19489	5.8
407.11273	5.5
451.08847	100.0
451.15659	3.4
452.09189	14.6
452.15826	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	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12461	0.5
59.01377	0.9
69.03465	1.2
71.01391	0.6
71.45274	0.8
73.49658	0.6
77.33125	0.5
81.03451	0.9
83.01380	0.9
84.88966	0.5
85.02956	0.8
92.17680	0.6
93.03460	39.9
94.03804	1.6
95.01391	1.6
97.02953	2.4
100.22201	0.6
107.01408	1.3
109.02927	1.3
111.28767	0.5
119.04977	0.6
121.02966	0.9
123.00892	7.0
124.01669	20.2
125.02455	36.3
126.02800	1.7
135.04529	1.6
136.01677	0.9
137.02449	63.0
138.02782	2.6
145.02930	1.4
149.99588	35.6
151.00392	3.6
151.04045	0.5
161.02425	1.3
163.04051	0.9
165.01956	0.7
167.03496	1.4
168.00647	73.2
169.01387	8.9
187.04037	0.7
193.01454	0.6
227.03471	5.2
265.05121	1.1
310.04657	0.7
311.05338	0.7
313.05658	20.6
314.05963	1.5
331.06683	39.0
332.07031	3.1
429.26663	0.6
451.08804	100.0
452.02878	1.1
452.09204	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	451.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28156	0.5
55.78112	0.6
59.01091	1.0
59.01382	17.5
59.29634	0.5
61.98832	5.7
67.01876	0.7
68.59896	0.5
69.03440	2.0
69.60313	1.8
69.60748	2.4
71.01379	5.6
73.02943	1.6
75.00872	1.8
79.01871	0.8
81.03458	3.5
81.03851	0.5
83.01377	2.6
83.05035	4.8
85.02937	2.6
87.00864	0.8
89.02428	2.5
93.03467	8.2
95.01380	1.8
97.02937	2.5
101.02441	4.4
107.01366	1.8
108.02174	5.8
109.02964	4.4
111.00858	0.9
113.02419	2.7
119.03486	0.7
121.02937	1.7
123.00886	9.2
123.04522	0.9
124.00822	1.0
124.01666	19.1
125.02453	40.5
126.02777	2.1
127.00337	1.0
133.02994	0.8
135.04510	1.9
136.01639	0.8
137.01419	1.3
137.02448	21.0
138.02844	0.8
149.99583	36.2
151.00366	3.1
151.03987	1.3
153.01920	1.9
159.22305	0.6
161.02434	4.1
161.04536	1.1
167.03433	1.7
168.00647	64.9
169.01390	6.3
177.01971	0.7
179.03465	1.5
181.01332	0.9
182.02164	1.4
183.02878	0.9
197.04472	1.9
224.17732	0.8
225.16081	3.2
228.96780	0.6
271.19260	0.8
281.06665	4.2
283.41711	0.6
289.20074	0.7
313.05505	3.2
314.05731	0.8
331.06711	11.3
332.06866	0.8
333.22845	0.9
341.08926	2.9
391.19376	0.8
407.11328	1.5
407.19171	1.0
433.07779	3.2
433.31918	1.1
451.08670	100.0
451.21182	3.7
451.33023	18.3
452.08932	13.2
452.33472	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	451.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99118	0.7
59.01384	5.3
61.98827	4.9
62.19203	0.7
65.08128	0.6
69.97911	3.4
71.01377	2.3
75.00875	4.8
83.94909	0.7
85.72800	0.6
89.02447	2.6
96.95985	2.3
98.19939	1.0
101.02445	0.8
111.00893	1.3
115.92124	0.9
116.92847	0.9
121.02962	100.0
122.03325	4.4
137.02484	1.1
139.00385	2.6
149.04613	1.1
187.04063	0.9
188.04767	1.1
216.04401	0.8
227.29411	0.7
289.07202	2.1
293.08783	5.3
415.12512	1.4
451.10080	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	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03416	0.8
59.01379	9.8
61.82323	0.8
61.98830	3.3
64.12577	0.8
71.01388	1.2
72.99329	1.3
81.17145	0.8
93.03460	1.3
93.65672	0.7
101.06078	1.3
109.02962	2.0
117.03491	2.7
119.05009	2.5
133.02960	1.4
135.04530	3.4
137.02463	1.4
143.05014	2.4
145.02963	11.0
147.04553	1.4
161.02458	4.4
163.03976	2.6
165.02089	1.0
168.00641	1.1
174.03122	1.0
179.03503	0.9
180.05832	1.4
181.06578	2.0
183.04460	1.2
187.04016	3.0
188.10529	0.8
191.04974	1.5
193.06531	2.3
195.04492	2.4
196.05298	4.1
197.06053	5.1
208.05362	1.3
209.06122	9.9
210.06758	1.7
211.04031	2.9
211.07713	3.8
212.04727	1.6
213.05679	1.3
220.05206	1.3
221.06041	4.8
222.06639	0.9
223.03894	1.1
224.04756	5.1
225.05574	4.5
226.06250	1.1
227.03444	2.1
235.03972	1.6
236.04593	1.4
237.05582	19.0
238.06096	3.7
239.03517	2.7
239.07132	5.2
240.04277	3.0
240.07521	0.9
241.05026	3.6
248.04761	4.6
249.05574	7.1
249.14737	1.1
250.06239	1.9
252.04231	2.7
253.05069	7.6
254.05847	3.7
255.06599	3.2
264.04282	3.6
265.02203	1.7
265.05057	32.2
266.05707	10.8
267.03653	0.9
267.06586	24.7
268.03922	1.2
268.06934	2.7
269.04529	2.1
280.03683	1.2
280.66669	0.9
281.04535	7.4
282.05219	2.8
283.06073	7.6
293.04568	7.1
309.04047	17.0
310.04794	17.0
311.05618	100.0
312.05957	9.7
325.03387	1.1
349.09271	1.3
353.03107	2.0
354.03992	4.5
355.04611	20.0
356.04953	2.5
363.12418	2.1
407.11218	4.5
408.11945	1.2
451.10333	24.1
451.15851	1.0
452.10699	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	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03488	0.6
59.01385	17.2
60.01711	1.3
61.01810	0.9
61.98834	100.0
62.98548	0.6
63.99260	2.7
66.80415	0.6
68.89942	0.6
70.26643	1.4
70.27016	1.3
71.01380	3.7
73.02948	0.7
79.53982	0.5
83.01387	0.6
85.02971	2.4
88.46033	0.7
89.02462	2.8
101.02464	1.7
109.02940	0.8
113.02477	1.7
115.08172	0.6
119.03514	1.0
125.02467	1.8
131.17851	0.6
153.01932	0.6
260.06555	0.8
269.04739	0.7
270.05002	1.0
350.70065	0.7
387.16769	3.6
451.22385	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	450.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01378	0.4
59.01370	1.2
61.98820	1.1
69.61850	1.7
69.62258	1.0
78.95901	7.2
80.23534	0.5
83.31306	0.4
88.24394	0.5
88.88847	0.4
104.72790	0.4
125.88823	0.6
140.01230	2.5
149.89688	0.4
152.99535	1.2
196.03813	1.2
214.04794	2.4
253.21718	100.0
254.19402	0.4
254.22046	11.0
370.08820	0.5
450.26208	8.0
451.27240	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	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03442	1.0
59.01383	21.6
60.01735	0.6
61.01780	0.4
61.98840	4.9
63.22034	0.4
69.03445	1.2
71.01385	13.8
71.20047	1.0
72.99297	1.2
73.02956	4.1
79.01904	0.4
79.88814	0.5
81.03458	1.4
83.01382	1.7
85.02953	7.4
87.00877	1.1
89.02435	5.0
91.01907	0.8
93.03471	0.7
95.01401	2.3
97.02950	1.2
99.00890	1.6
99.04619	0.5
101.02450	8.9
103.04002	1.1
107.01407	1.5
108.02177	36.7
109.02959	45.3
110.03294	2.2
111.00871	1.5
113.02466	5.6
114.05609	0.9
119.03487	2.1
121.02962	0.7
123.00921	2.5
123.04511	1.0
124.01665	0.7
125.02437	2.9
127.07716	0.4
135.00868	1.9
135.04495	1.4
137.02457	1.4
141.09178	0.6
143.03505	1.0
149.04425	0.6
151.04008	1.8
152.01155	49.4
153.01941	59.8
154.02277	2.4
156.50209	0.5
159.03009	0.9
161.02428	0.8
161.04552	3.2
163.03981	1.7
177.01907	1.1
178.99832	0.6
179.03445	0.6
195.02982	2.1
205.06932	0.6
207.02782	0.6
237.04088	0.7
243.02832	0.6
276.44022	0.4
291.06622	0.5
297.06171	9.7
298.06342	0.8
305.16058	2.9
315.07211	9.3
316.07434	0.9
407.09805	16.3
408.10306	1.7
433.07605	1.5
451.08774	100.0
451.22290	6.6
452.09076	12.6
452.15808	0.8
452.16934	0.5
452.22632	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	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
61.98819	1.0
70.30461	2.1
71.32733	0.8
78.95899	4.6
86.13357	0.8
94.47489	0.8
104.67809	0.7
110.98516	3.5
147.63309	0.8
167.01132	2.1
185.02151	2.6
281.24857	100.0
282.25189	12.9
449.26700	7.0
450.27689	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	450.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01129	1.7
59.01385	17.5
61.98833	100.0
69.47760	9.5
71.01376	4.7
89.02434	3.1
98.20626	2.2
101.02427	2.6
113.02425	1.4
119.03485	1.5
158.70496	1.1
163.11259	1.6
207.10202	2.6
312.49417	1.2
331.87720	1.1
387.16614	43.2
388.17130	7.3
451.22009	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	450.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52078	0.4
59.01379	9.8
61.98831	100.0
71.01393	0.8
71.63019	0.5
72.99339	0.4
73.02942	0.5
77.14204	0.4
83.01346	0.4
84.04539	0.4
85.02972	0.6
91.26492	0.4
93.03452	0.6
101.02454	0.7
109.02965	0.8
110.13242	0.4
117.03462	0.7
119.05068	0.8
133.02945	0.8
135.04524	6.5
135.05482	0.6
136.18561	0.4
137.02434	0.9
145.02992	1.7
146.03297	0.5
149.05852	0.4
153.01875	0.5
161.02393	2.2
169.01439	1.1
179.03485	0.6
209.06064	0.9
221.06259	0.4
225.03651	0.4
225.11357	0.8
237.05577	2.6
249.05803	0.5
253.05092	0.8
265.05026	4.5
266.05875	0.9
267.06677	1.4
281.04333	1.0
283.06305	0.5
309.03983	3.7
310.04910	1.5
311.05621	3.4
317.09930	0.4
354.03717	0.7
387.16415	0.7
407.11450	1.0
450.16895	0.5
451.10355	3.3
451.19968	0.9
464.06415	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	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30473	0.6
59.01381	29.2
60.01710	3.4
61.01799	3.3
61.98833	100.0
70.44633	1.8
71.01389	6.5
72.99301	0.7
73.02956	2.2
83.05050	0.7
85.02976	3.1
85.92861	0.6
87.00865	1.4
89.02454	6.4
90.02789	1.1
93.03488	1.0
93.14256	0.6
95.01414	0.8
96.96027	1.5
99.00905	0.8
101.02439	3.0
102.02806	0.7
109.02923	0.8
109.57327	0.6
112.11372	0.6
113.02468	2.7
115.04030	1.0
119.03542	2.2
120.37116	0.7
123.04597	0.7
137.02426	3.8
145.03186	0.6
145.05086	0.9
161.02527	1.4
161.04604	1.3
165.01990	0.7
165.44400	0.6
170.80988	0.6
179.03551	0.8
179.05612	1.3
181.06076	1.0
239.05675	0.7
271.15530	1.7
392.43393	0.7
433.21219	0.8
450.15799	1.3
450.21185	1.2
451.22607	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	449.1816
Annotation	Neoglabrescin A
Peak:m/z	Relative Intensity
54.65559	0.4
59.01379	16.7
60.24053	0.3
61.98856	0.4
68.99818	3.4
71.01392	2.8
71.65627	0.4
73.02955	0.5
83.01425	0.4
85.02954	1.0
87.00847	0.4
89.02449	2.9
90.85524	0.4
93.03468	0.6
95.01404	0.4
101.02447	1.7
109.02956	0.4
113.02465	1.3
115.05527	1.9
117.03469	34.7
118.03815	1.4
119.03518	1.6
119.05025	15.7
120.05339	1.1
121.02918	0.4
125.02406	0.5
131.95799	0.4
133.02982	0.7
135.04495	1.7
143.05022	22.8
144.05341	1.4
145.02953	100.0
146.03294	5.4
157.06596	0.4
159.04562	0.4
161.02432	1.7
161.06113	1.2
163.04015	10.2
164.04408	0.4
179.03467	0.8
179.05675	0.7
187.04004	39.8
188.04367	2.7
200.80051	0.4
205.05066	1.3
223.06099	0.8
231.09839	0.4
249.73813	0.4
307.08066	0.4
329.12170	0.4
389.15994	6.8
390.16333	0.7
407.17102	4.1
408.17474	0.7
449.18146	39.2
450.18503	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	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01384	64.9
62.98207	0.8
67.24886	0.8
69.42259	4.3
69.42686	2.7
71.01390	11.9
72.99335	0.9
82.20789	0.7
85.02950	3.8
89.02449	11.7
95.01397	1.0
98.20567	1.8
99.04529	10.3
101.02434	6.0
106.14905	0.8
107.50615	0.9
109.06628	1.0
113.02442	4.7
119.03501	3.2
120.54796	0.8
165.12819	4.3
189.12849	1.3
202.09340	0.8
207.13873	8.3
209.11826	24.5
210.12306	1.2
225.14943	7.8
251.12920	5.2
269.13940	100.0
270.14307	11.5
287.15036	1.5
341.45319	0.9
449.20294	51.3
450.20718	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	449.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03432	1.7
58.00599	1.5
59.01382	100.0
61.98832	17.9
69.30092	8.7
71.01386	27.3
73.02954	10.7
83.01397	6.3
85.02951	10.4
87.00884	2.3
87.47443	1.0
89.02447	26.0
94.99797	0.9
95.01349	1.3
97.02931	1.6
99.00879	1.3
101.02448	27.6
108.69185	1.1
109.02918	1.0
111.04584	1.0
113.02442	13.1
119.03490	10.1
122.33466	0.9
124.86497	0.9
125.02423	2.2
131.03452	1.6
143.03488	4.1
149.04576	1.2
159.03087	1.1
161.04549	10.3
179.05617	6.2
183.10335	7.2
198.08322	1.3
252.96202	1.0
259.06052	1.8
269.13968	1.1
287.05466	1.4
287.18668	1.1
387.16772	1.6
389.21838	33.8
390.22119	3.8
405.17587	3.7
446.10858	1.0
449.20251	13.4
450.20581	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	449.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78194	0.2
57.64429	0.2
59.01385	1.7
61.98823	0.5
62.35044	0.2
66.48227	0.2
71.01382	0.3
71.62528	0.2
76.03596	0.2
78.95905	3.9
96.95923	0.2
96.96987	0.4
105.03441	0.4
112.44770	0.3
115.01960	0.2
121.02969	0.4
132.02164	2.1
133.02957	31.4
134.03287	1.5
135.04558	0.8
137.02481	0.4
146.03717	0.3
147.04533	0.7
149.02434	3.0
149.06100	0.5
150.03220	4.5
151.03575	0.4
152.99588	7.8
159.04565	0.3
161.02441	100.0
162.02777	5.1
163.04100	0.3
171.00716	0.4
173.02367	0.2
174.03214	8.2
175.03992	3.5
176.04668	0.6
179.03476	0.3
187.03999	0.4
200.04813	1.0
211.07642	0.5
217.61607	0.2
218.05794	2.7
219.06238	0.3
241.08846	0.3
243.10243	5.4
244.10648	0.3
245.11908	0.4
267.06638	0.4
269.11734	1.1
274.49350	0.2
287.09894	0.2
287.12854	4.3
287.15903	0.4
288.13159	0.5
292.07477	0.3
293.08310	0.3
312.06021	0.2
336.10004	0.5
361.14389	0.4
402.03687	0.4
405.17130	0.4
417.05685	0.2
449.09369	0.3
449.16364	0.4
449.22873	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	449.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
61.98832	0.3
81.03461	0.4
93.03475	0.3
98.49310	0.1
108.02183	0.5
109.02964	1.5
117.03416	0.1
121.02940	0.5
133.02954	3.0
135.04532	0.8
136.01663	1.1
137.02449	100.0
138.02791	3.8
145.02945	0.4
149.02434	1.9
150.03188	0.4
159.04425	0.1
161.02444	11.8
162.02795	0.7
172.87267	0.1
174.03136	0.2
179.03537	0.7
193.06558	0.1
197.06117	0.2
201.02180	0.1
211.07724	0.3
221.06181	0.1
228.99640	0.1
238.06477	0.1
239.07156	0.4
249.05766	0.2
250.06369	0.4
265.05087	0.1
266.05765	0.3
267.06607	6.9
268.06992	0.7
269.04535	0.7
283.06198	0.5
299.05640	1.6
300.05865	0.1
308.92114	0.1
311.05606	3.8
312.05991	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	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
60.75434	0.2
63.33781	0.2
65.03958	0.3
71.01389	0.8
80.22562	0.2
81.03460	0.2
83.01344	0.2
83.59351	0.2
85.02944	0.4
88.98811	0.6
89.02450	0.2
90.80879	0.2
90.81473	0.2
93.03462	45.1
94.03790	1.6
99.67313	0.2
101.02399	0.2
107.05067	0.2
113.02473	0.6
116.92888	0.2
122.03754	0.7
123.04526	1.7
125.02431	0.6
135.04478	0.5
137.02449	100.0
138.02789	4.2
161.02426	0.6
161.04523	0.2
165.37886	0.2
167.03522	2.7
171.27457	0.2
198.03134	0.2
256.87851	0.2
281.06674	1.2
405.11832	1.2
449.10944	3.0
450.11136	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08202	0.5
58.00600	0.6
59.01382	14.8
61.98831	4.1
65.57099	0.5
66.05392	0.5
68.99814	0.9
69.64108	0.9
69.64524	2.4
71.01386	10.5
72.99315	1.8
73.02963	2.4
83.01387	2.0
85.02949	5.0
87.00880	0.8
89.02446	2.5
91.01899	0.6
93.03459	42.4
94.03812	1.7
95.01376	1.7
96.99314	0.8
97.02956	0.7
99.00889	1.1
99.04510	0.5
101.02455	7.4
101.36094	0.5
107.01407	0.5
108.02177	39.7
109.02431	0.8
109.03049	0.6
113.02455	5.0
116.62015	0.5
119.05038	0.6
121.02966	1.7
123.00819	0.5
123.04534	20.3
124.04857	1.3
133.02904	0.7
135.04536	5.0
136.01649	2.4
137.02449	64.9
138.02765	3.1
147.04539	1.6
151.00392	3.1
151.01395	0.5
151.04015	1.6
152.01158	77.9
153.01488	3.2
161.02417	1.3
161.04523	0.9
163.04004	1.6
167.03500	100.0
168.03871	4.2
170.87889	0.5
179.03549	1.9
191.03479	1.1
197.04588	0.7
221.04521	0.6
225.04005	1.3
225.14833	0.5
227.13037	0.6
239.05630	0.9
269.14053	3.0
281.06659	67.1
282.07065	5.2
285.03937	1.2
287.05649	3.3
287.14993	1.3
311.07678	1.0
448.50314	0.5
449.10886	65.3
449.20450	2.0
450.11200	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23264	0.4
56.60973	0.3
58.72718	0.5
59.01380	21.4
60.01719	2.6
61.98831	100.0
69.76770	1.8
71.01400	1.5
73.62907	0.4
75.44743	0.4
89.02454	1.1
101.02478	0.6
125.02480	1.1
161.04567	0.9
259.06161	0.9
263.59503	0.5
269.04568	0.9
274.37708	0.4
388.20572	0.5
449.10986	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	449.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86491	1.0
56.06957	1.0
59.01371	6.8
60.99307	16.5
69.53729	8.1
71.01365	1.5
72.99313	9.8
88.98810	100.0
89.99121	1.1
92.08150	1.0
100.90665	1.0
123.04538	4.1
133.02957	10.0
135.04512	13.6
161.02441	67.8
162.02808	3.7
179.03494	8.6
197.04547	15.9
223.54947	1.1
258.20056	1.0
265.67026	1.5
359.07767	20.4
360.08200	1.5
418.54379	1.2
436.95581	1.3
449.09723	1.1
449.20007	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	448.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.9
57.03446	0.8
59.01381	47.8
60.01724	2.6
61.98833	100.0
63.61605	0.8
71.01382	7.9
73.02959	1.4
74.20329	0.7
83.01415	0.9
85.02956	1.8
86.22105	0.8
88.98787	1.9
89.02434	4.5
98.19827	2.1
101.02449	5.9
109.02951	1.1
113.02454	2.2
113.64351	0.7
115.68193	0.9
119.03506	2.5
135.04509	1.7
135.79427	0.8
145.44360	0.9
149.09680	1.3
159.02966	0.8
161.04559	3.5
162.04938	1.1
164.45088	0.8
179.05673	1.9
225.11311	14.6
226.11603	0.7
226.14873	1.0
237.48456	0.9
328.40488	1.0
388.20578	1.5
389.21698	2.3
419.33585	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	447.2238
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01867	2.2
57.03441	1.6
58.00591	1.0
59.01382	55.8
59.24919	0.5
61.98818	0.7
68.98237	0.6
71.01385	26.1
71.05010	0.6
72.01756	0.6
72.41013	0.5
72.99314	1.5
73.02950	17.3
74.89967	0.4
75.00865	0.5
83.01385	6.0
85.02955	8.2
85.06590	3.2
85.31714	0.4
87.00864	2.9
89.02448	8.9
93.03424	0.6
95.01372	2.0
97.06583	0.8
97.74673	0.5
98.20742	1.0
99.00884	4.8
101.02447	20.7
102.02769	0.6
109.02940	2.0
109.34933	0.5
113.02443	7.7
113.09724	1.0
115.92597	0.5
119.03500	3.0
121.02964	3.8
123.04499	0.9
125.02460	0.9
131.03484	0.9
133.02963	2.2
135.04518	5.2
143.03543	0.8
145.02965	1.2
151.04010	0.5
153.12811	0.8
155.13205	0.8
155.14424	11.9
156.14749	0.6
157.05031	0.5
159.02985	0.5
161.02454	4.0
161.04504	3.5
169.65900	0.5
173.02422	2.4
179.03487	1.4
181.12332	1.2
181.15973	3.8
182.16072	0.5
199.13387	21.6
200.13759	1.3
221.06380	0.5
225.14975	5.6
239.07191	0.6
243.19514	0.7
245.17511	0.6
249.05615	0.5
250.06105	0.6
267.06671	2.8
269.08215	0.6
285.03955	1.1
287.63016	0.5
295.06094	11.7
296.06509	1.3
311.05634	0.8
387.20148	11.9
387.24698	0.6
388.20575	1.7
405.21252	24.6
406.21576	2.1
447.22290	100.0
448.22675	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13155	0.7
57.03444	0.9
58.00589	1.1
58.01423	0.9
58.92545	0.7
59.01381	100.0
59.76850	0.8
60.01706	1.4
61.98825	5.0
71.01384	25.4
72.99314	4.3
73.02943	5.0
75.00854	0.8
83.01395	3.3
85.02959	9.9
87.00866	1.6
88.98812	3.4
89.02441	13.0
93.03458	20.0
93.22911	0.9
93.66290	1.0
95.01379	2.5
96.99316	0.9
99.00879	4.2
99.92551	1.5
101.02443	14.4
102.75156	0.7
104.66920	0.7
107.01397	3.1
108.02216	1.2
108.64377	0.7
109.02957	1.9
111.86784	0.8
113.02449	13.5
115.02819	0.8
115.92095	1.7
116.92875	10.3
117.03471	2.5
119.03545	4.6
119.05010	1.1
121.02965	3.0
121.06625	3.7
123.04523	1.5
125.02464	1.1
128.26904	0.8
133.02940	9.5
134.03725	0.8
135.04510	9.7
137.02446	34.2
137.09798	0.9
138.02766	2.2
143.03540	2.6
145.02994	3.6
147.04509	2.5
149.02420	2.9
151.00343	5.0
151.04063	1.2
159.03059	1.3
159.04483	1.1
161.02483	12.2
161.04547	14.2
162.02754	1.1
163.04024	0.9
165.05566	19.1
165.48743	0.8
166.06030	0.9
175.02625	1.1
175.03972	4.2
177.03134	0.8
177.05533	0.8
179.03508	2.8
179.05611	2.4
180.03816	0.8
197.04538	1.1
199.03937	2.8
201.01898	0.8
201.54668	0.8
225.11284	2.0
225.14934	2.4
241.05081	1.4
256.03519	0.9
267.06693	0.8
269.04553	11.9
270.04865	5.6
271.05060	9.3
281.06677	29.0
282.07001	2.4
284.03149	2.9
285.04056	58.3
286.04401	5.6
295.06113	1.6
339.05267	0.9
368.97418	0.8
387.20200	19.7
388.20572	2.7
429.12073	1.6
447.08383	8.8
447.12921	25.4
447.22009	1.5
448.13821	4.7
469.06229	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01720	1.2
61.98833	19.9
69.63893	2.8
69.64291	0.8
71.01382	3.9
73.02947	1.3
73.94261	0.4
85.02966	1.9
85.47649	0.4
89.02429	2.6
101.02425	2.8
113.02424	2.1
119.03533	1.0
123.08196	1.9
137.09721	1.0
153.09265	0.6
159.03050	0.7
161.04576	3.9
163.11375	1.4
179.05595	0.8
189.12807	2.7
207.13905	4.8
225.15004	1.7
252.07198	0.4
266.88849	0.5
331.04214	0.5
387.19955	2.3
417.42731	0.5
447.22418	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68863	0.7
57.03457	1.1
59.01382	100.0
60.01711	1.4
61.98831	0.9
69.68896	1.5
69.69305	1.7
71.01382	15.1
71.01756	0.9
71.83804	0.5
73.02969	3.2
83.01395	0.6
83.36226	0.6
85.02968	4.2
85.95163	0.6
87.00916	0.8
89.02451	13.2
95.01424	0.7
98.19854	0.8
99.00877	1.2
101.02445	10.9
108.85585	0.5
112.27377	0.5
113.02457	7.3
119.03510	7.0
131.03546	1.0
133.03090	0.7
143.03526	1.8
149.04575	0.7
159.03000	0.8
161.04552	7.2
179.05664	2.4
187.56566	0.6
278.38586	0.6
285.04041	3.2
343.17566	8.2
343.21176	0.7
369.19128	4.3
387.20605	3.1
394.04584	0.6
447.09641	1.2
447.22845	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	447.1507
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
51.28784	0.4
59.01376	6.0
61.98825	0.7
65.51526	0.4
69.03442	0.5
71.01381	5.3
71.41042	0.6
72.99313	0.4
73.02944	1.1
75.00874	0.4
85.02966	0.8
86.50096	0.3
88.98799	1.9
89.02441	8.0
93.03474	0.8
95.01430	0.5
95.05025	1.1
97.02965	0.7
99.00877	1.3
101.02453	1.0
109.02995	0.4
113.02474	0.6
115.04061	0.5
121.02846	0.5
122.03719	0.9
123.04527	84.4
124.04839	3.5
125.02435	4.1
131.03519	1.2
137.02496	0.5
137.09702	0.5
149.04564	1.6
153.05579	100.0
154.05913	4.1
167.10794	1.9
191.05612	1.3
197.04413	0.4
213.99089	0.4
233.06657	4.5
255.39850	0.5
260.82697	0.4
293.08768	7.7
294.09128	0.9
295.19202	0.8
300.13080	0.4
369.22928	0.5
447.14969	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.6
59.01381	100.0
60.01718	1.2
64.70053	0.4
70.94508	0.8
71.01386	8.6
71.02039	0.4
85.02940	0.8
87.00896	0.4
89.02451	14.4
101.02442	3.9
102.87774	0.4
113.02454	4.3
116.93375	0.4
119.03506	5.8
131.03539	0.8
143.03537	1.5
149.04532	0.4
157.62169	0.5
161.04594	1.7
179.05589	8.8
189.75595	0.5
193.08086	0.4
325.70850	0.5
427.91711	0.5
447.22464	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13155	0.7
57.03444	0.9
58.00589	1.1
58.01423	0.9
58.92545	0.7
59.01381	100.0
59.76850	0.8
60.01706	1.4
61.98825	5.0
71.01384	25.4
72.99314	4.3
73.02943	5.0
75.00854	0.8
83.01395	3.3
85.02959	9.9
87.00866	1.6
88.98812	3.4
89.02441	13.0
93.03458	20.0
93.22911	0.9
93.66290	1.0
95.01379	2.5
96.99316	0.9
99.00879	4.2
99.92551	1.5
101.02443	14.4
102.75156	0.7
104.66920	0.7
107.01397	3.1
108.02216	1.2
108.64377	0.7
109.02957	1.9
111.86784	0.8
113.02449	13.5
115.02819	0.8
115.92095	1.7
116.92875	10.3
117.03471	2.5
119.03545	4.6
119.05010	1.1
121.02965	3.0
121.06625	3.7
123.04523	1.5
125.02464	1.1
128.26904	0.8
133.02940	9.5
134.03725	0.8
135.04510	9.7
137.02446	34.2
137.09798	0.9
138.02766	2.2
143.03540	2.6
145.02994	3.6
147.04509	2.5
149.02420	2.9
151.00343	5.0
151.04063	1.2
159.03059	1.3
159.04483	1.1
161.02483	12.2
161.04547	14.2
162.02754	1.1
163.04024	0.9
165.05566	19.1
165.48743	0.8
166.06030	0.9
175.02625	1.1
175.03972	4.2
177.03134	0.8
177.05533	0.8
179.03508	2.8
179.05611	2.4
180.03816	0.8
197.04538	1.1
199.03937	2.8
201.01898	0.8
201.54668	0.8
225.11284	2.0
225.14934	2.4
241.05081	1.4
256.03519	0.9
267.06693	0.8
269.04553	11.9
270.04865	5.6
271.05060	9.3
281.06677	29.0
282.07001	2.4
284.03149	2.9
285.04056	58.3
286.04401	5.6
295.06113	1.6
339.05267	0.9
368.97418	0.8
387.20200	19.7
388.20572	2.7
429.12073	1.6
447.08383	8.8
447.12921	25.4
447.22009	1.5
448.13821	4.7
469.06229	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	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77938	0.2
59.01384	1.8
62.96407	1.2
69.43494	2.1
71.01351	0.3
78.95908	40.1
96.36565	0.2
96.96959	2.9
110.43569	0.3
121.02942	1.3
133.02956	0.4
135.04529	0.5
139.57397	0.3
149.00095	19.3
150.00449	0.3
152.99586	0.6
153.09079	0.2
158.92566	1.8
161.02452	1.1
179.01184	2.2
179.03506	0.6
188.09132	0.3
205.15904	1.3
213.23758	0.3
236.76692	0.3
263.38693	0.3
263.89563	0.2
267.11584	0.4
285.03894	0.4
286.04465	0.3
347.08246	0.4
365.46317	0.3
417.12567	0.7
431.10306	2.7
432.11130	0.5
447.13437	100.0
448.13776	13.3
464.09509	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	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46943	0.3
53.18144	0.3
57.54683	0.3
59.01389	0.5
60.74280	0.3
62.96398	1.3
68.12990	0.3
69.55322	2.1
70.38174	0.3
78.95905	34.5
96.96957	2.1
120.77161	0.3
128.84512	0.3
149.00093	16.6
150.00475	0.4
158.92523	1.4
179.01125	2.4
180.51205	0.3
197.59818	0.3
205.15945	1.2
206.85170	0.3
240.96709	0.4
269.04773	0.3
417.12418	1.0
431.09998	2.5
447.13403	100.0
448.13751	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	447.1293
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02367	1.4
55.01886	1.7
55.66563	0.8
58.62079	0.9
59.01379	15.7
61.45452	0.8
69.03455	82.2
69.97627	3.0
70.03781	2.2
71.01364	2.0
72.99302	1.2
79.01883	27.2
79.02354	1.3
81.03448	2.7
85.02950	4.0
90.71116	0.9
93.03460	1.2
95.01382	10.8
97.00761	0.9
97.02951	45.4
97.63322	0.9
98.03270	1.2
101.02480	1.5
107.01387	60.7
108.01546	1.6
108.02193	24.6
109.02975	9.2
113.02467	1.5
115.84199	1.0
119.04979	1.1
121.02966	3.3
123.00881	19.0
125.02445	79.7
126.02814	3.2
133.02954	13.4
134.03772	1.9
135.00887	63.6
135.04518	15.9
136.01759	4.5
136.04839	1.4
137.02444	4.9
145.02911	2.7
149.02429	2.8
150.03188	0.9
151.00366	82.8
152.01157	51.5
153.01927	8.3
161.02434	37.2
162.02800	2.7
163.04007	7.7
177.01910	10.0
177.99937	1.0
179.03476	9.0
191.03426	1.1
197.06052	1.6
198.07088	0.9
201.01871	1.2
220.00432	1.0
225.05580	1.5
242.05835	100.0
243.06575	79.5
243.19556	2.5
244.06886	6.7
249.05783	1.0
263.43362	1.0
267.06586	5.9
285.07764	7.4
286.22522	0.9
311.05637	2.2
323.22372	1.2
339.07269	6.3
387.10989	1.8
400.82913	1.1
405.25092	1.2
447.12970	40.5
447.26001	2.9
448.13495	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	447.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
65.00334	0.5
65.03964	0.3
80.02673	0.4
89.02418	0.2
91.01899	15.6
92.02235	0.6
93.03461	3.1
95.01389	1.0
101.02485	0.3
107.01385	0.3
107.05039	0.7
108.02174	18.9
108.15589	0.2
109.02979	4.9
111.00842	0.4
113.02488	0.3
120.65471	0.2
121.02939	1.2
123.00885	5.8
124.01685	0.4
133.02986	0.6
135.00888	14.4
135.04486	0.7
136.01256	0.8
137.02449	11.2
137.03333	0.2
138.02762	0.3
147.98909	0.2
149.02441	0.7
152.01158	17.5
153.01566	0.8
161.02467	1.2
177.01865	0.3
179.03424	0.3
197.06143	1.2
199.07637	0.4
213.05634	1.3
213.07251	0.2
215.07162	0.8
216.07506	0.3
225.05670	0.4
229.21487	0.2
236.58820	0.2
236.61290	0.3
241.05057	0.4
242.05844	0.3
243.06609	100.0
244.06941	8.9
249.32275	0.2
254.63049	0.2
267.06461	0.4
303.27179	0.3
311.05048	0.3
387.10901	1.2
392.05371	0.3
405.11523	0.3
447.13104	3.9
447.25955	0.5
448.13004	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	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54992	0.2
54.02476	0.2
55.52212	0.2
59.01380	1.5
61.64951	0.2
61.98823	0.5
70.02690	0.5
70.03085	0.6
71.01376	0.4
81.03457	0.4
89.02454	0.5
108.02178	2.3
109.02955	67.8
109.54071	0.3
110.03316	1.9
116.92909	0.3
123.04541	0.5
125.02482	0.3
130.08711	0.5
152.01154	0.5
153.01938	100.0
154.02275	4.0
409.83344	0.3
447.11438	2.7
448.12207	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	447.0932
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
51.11910	0.2
59.01381	7.0
61.98832	2.7
62.52020	0.2
63.02391	0.5
65.00325	1.5
66.62477	0.2
69.76729	1.1
71.01390	2.0
73.02953	0.7
83.01389	1.0
85.02962	0.6
87.00885	0.3
89.02471	1.1
89.02942	0.3
89.29288	0.2
93.03441	0.7
101.02440	1.1
105.03482	0.4
107.01397	3.2
109.02964	0.7
113.02448	0.7
119.03494	0.6
121.02966	1.1
133.02957	10.9
134.03288	0.6
137.02451	1.9
149.02437	2.6
150.99150	0.4
151.00369	6.9
161.04550	1.0
164.04218	0.2
171.04453	0.5
175.03986	3.9
177.01987	0.2
179.05568	0.3
185.06123	0.6
197.06113	0.6
198.03178	0.6
199.04008	3.6
200.04657	0.3
201.01979	1.2
205.12393	0.2
211.04004	0.6
213.05580	0.8
215.03520	0.6
217.05014	2.1
218.05531	0.2
223.04027	0.4
225.15019	0.3
227.03491	0.8
229.05086	0.6
239.03574	0.4
240.04285	0.4
241.04996	1.8
243.02995	1.3
256.03745	1.1
257.04514	0.7
267.03061	0.6
269.04565	0.3
283.02579	0.8
284.03281	5.4
285.04041	100.0
286.04385	9.1
299.05380	0.4
327.05075	1.0
387.20212	2.4
388.21054	0.3
408.28879	0.2
445.74179	0.2
447.09317	54.4
448.09625	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	446.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	21.4
60.01725	0.7
61.98834	100.0
69.27142	1.7
69.27571	2.8
71.01380	1.0
72.43044	0.4
78.95898	3.0
98.20642	0.9
103.59729	0.4
105.96684	0.4
111.02019	0.8
115.02531	0.7
116.02668	0.6
117.00431	1.3
119.00206	1.0
158.55707	0.4
159.01506	10.3
159.02766	0.4
160.01604	6.0
161.01212	6.8
161.98956	20.9
162.99074	1.4
201.02553	2.5
202.02730	2.6
203.02339	2.4
203.99985	6.0
241.01266	1.0
262.01874	0.5
277.88541	0.5
301.02661	1.2
302.02817	7.9
303.02493	11.1
303.82748	0.8
304.00003	53.0
304.02667	6.3
304.82599	0.5
305.00003	8.9
305.03464	0.7
331.49362	0.4
445.90121	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	447.057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31314	0.6
52.90097	0.7
53.66342	0.6
57.75286	0.7
59.01089	1.2
59.01379	22.7
60.01702	0.6
60.99310	14.0
61.98827	1.8
71.01389	4.6
71.62833	0.8
72.99309	1.0
73.02939	2.5
76.53026	0.5
77.88633	0.6
83.01447	0.6
85.02959	1.2
88.98810	100.0
89.02457	3.7
89.99162	1.8
92.57219	0.6
93.03468	2.0
98.42264	0.6
100.75281	0.6
101.02448	2.1
101.72979	0.6
105.01926	0.8
109.02962	9.5
111.86082	0.6
113.02460	2.6
119.03498	1.5
120.51978	0.6
121.02942	0.7
133.02991	0.7
135.04539	1.8
136.43185	0.7
137.02423	2.6
147.04620	0.6
159.04549	2.4
161.02370	1.1
161.04529	1.6
203.03484	1.7
267.06760	1.0
269.08234	4.4
313.07184	2.9
333.04483	0.7
357.06192	7.8
387.20258	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78413	0.8
57.03436	1.1
59.01383	100.0
60.01708	1.3
62.04189	0.8
63.11744	0.7
63.46975	0.7
71.01384	22.6
72.99294	1.5
73.02940	1.1
74.59525	0.7
76.90215	0.7
81.03453	1.3
83.05000	0.8
85.02944	3.9
86.17838	0.7
87.00826	1.0
89.02446	30.4
95.01412	1.4
95.05029	1.9
101.02451	10.5
101.81447	0.7
107.05034	1.0
113.02459	9.6
119.03500	10.3
131.03493	0.9
134.08441	0.8
141.05553	1.1
143.03506	1.4
149.04605	0.9
150.15865	0.7
153.09177	1.0
161.04573	4.2
177.09196	3.4
179.05630	11.0
180.21130	0.8
187.11275	5.3
195.10326	1.5
205.12280	3.2
221.08192	1.6
260.64005	0.9
310.71762	0.8
329.45273	0.8
334.68796	0.9
385.18472	1.7
445.17224	4.9
446.16953	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
58.00598	0.8
59.01382	100.0
60.01732	1.0
61.98838	3.5
69.03478	0.7
71.01387	17.4
71.62627	0.9
72.99306	3.3
73.02943	6.6
73.28874	0.6
83.01398	3.2
85.02946	5.9
87.00883	3.8
89.02451	14.4
93.03480	2.3
93.60745	0.6
95.01385	1.2
97.02970	0.8
99.00893	1.1
101.02446	10.8
107.76424	0.6
109.02996	0.9
109.57090	0.6
113.02453	8.5
117.03477	0.7
119.03509	6.2
119.05042	2.0
121.02977	0.7
123.04531	1.0
125.06124	0.7
131.03519	0.7
133.02979	1.7
134.06172	1.0
135.02971	0.7
135.04543	5.0
137.02484	4.5
137.09767	0.5
143.03554	1.3
143.04790	0.6
145.02998	1.2
149.04411	0.8
151.04051	1.1
151.07660	1.0
152.08444	0.8
153.02005	0.8
153.09238	1.9
159.03104	0.6
159.04434	0.7
160.03989	1.0
161.02480	3.6
161.04532	3.9
163.04018	1.6
177.01950	0.7
179.03474	3.1
179.05647	2.1
197.04590	1.4
205.12343	1.8
223.13428	1.2
227.03578	0.7
241.10777	0.8
242.08336	0.8
269.04544	7.6
284.02539	0.9
285.03989	1.1
295.06036	0.8
297.12399	1.3
339.13510	0.9
385.18741	3.6
393.49774	0.7
401.18106	1.0
403.20239	0.8
445.08777	2.2
445.16736	2.6
445.22089	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01712	1.5
61.98837	1.6
67.36513	1.1
69.27856	8.7
69.28272	3.5
71.01382	20.1
72.99308	2.5
73.02939	1.7
83.05024	1.5
85.02957	4.7
87.00833	1.7
89.02448	37.1
95.01395	1.9
95.05017	2.2
101.02464	10.0
106.56600	1.1
109.06567	1.9
113.02444	8.9
119.03501	13.1
123.04537	7.5
131.03487	1.7
131.46233	1.3
137.02417	2.2
141.05586	1.1
143.03465	3.4
149.04443	1.5
150.06799	1.9
161.04543	3.9
163.07671	1.4
177.09219	5.8
179.03691	1.2
179.03952	1.4
179.05595	11.1
180.07860	3.5
181.08679	4.5
216.83885	1.0
221.08145	2.9
466.63620	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	445.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.96064	1.0
60.01707	1.2
63.02396	1.5
68.16656	0.9
71.01396	3.1
71.63868	1.0
73.47469	1.1
75.00889	1.5
75.64727	0.9
78.95925	4.2
80.79651	1.0
84.38388	1.1
85.02961	6.1
89.02461	1.0
95.01415	1.0
95.87309	1.0
99.00910	2.2
113.02452	9.9
117.03470	2.0
118.56793	1.1
121.03004	1.3
149.00072	6.0
150.03192	1.2
161.02441	4.0
175.02438	1.9
205.15953	4.7
227.24577	0.9
263.09320	1.3
269.04547	38.3
270.05020	2.9
355.16803	25.8
356.17178	2.4
385.17941	13.8
411.86295	1.1
445.19629	2.5
445.25940	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74756	0.7
58.00594	0.7
59.01383	100.0
60.01719	0.9
61.98820	0.8
71.01386	25.3
71.11615	1.3
72.99314	8.4
73.02953	1.9
75.00895	1.0
83.01351	1.2
83.05043	0.6
84.83778	0.6
85.02956	3.8
87.00900	2.0
88.98810	1.1
89.02448	36.5
90.02776	0.8
93.03499	1.0
95.01417	1.4
96.96037	0.7
101.02448	12.9
109.02969	1.0
113.02455	12.4
119.03507	14.6
119.05020	1.0
123.04482	3.3
131.03557	2.1
134.80696	0.7
135.04504	5.8
137.02463	0.9
138.84698	0.7
143.03500	3.8
146.44983	0.7
149.04535	1.1
152.01125	0.9
161.02536	1.3
161.04585	4.4
167.03517	0.9
173.09540	0.7
177.09229	1.4
179.03575	4.3
179.05612	13.2
179.07130	0.8
180.08025	2.0
181.08780	2.7
197.04578	6.5
198.04893	0.8
218.71700	0.8
221.06558	1.0
224.57024	0.7
311.05869	1.0
335.99582	0.8
445.13223	9.3
446.14148	1.0
460.92532	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	445.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
56.31310	1.4
57.03463	1.8
58.00594	1.5
59.01383	100.0
60.84054	1.2
61.98808	1.4
69.03452	2.9
70.76148	2.7
70.99624	1.4
71.01385	23.9
72.99303	1.7
73.02954	7.4
75.00873	8.2
81.03464	12.2
83.01391	2.5
83.05023	18.2
85.02957	14.0
87.00880	2.5
89.02454	21.2
93.03465	4.3
95.01408	1.9
95.05029	25.5
96.05382	1.7
99.00880	2.3
101.02442	18.7
107.05013	2.3
109.06590	18.8
113.02464	12.1
119.03506	8.9
119.05036	1.5
119.57724	1.2
121.02946	1.5
123.04509	7.0
127.04031	1.1
131.03528	1.4
133.06656	1.7
135.03026	1.5
135.04532	2.0
135.08177	12.2
141.05568	4.0
143.03503	1.9
150.55232	1.3
153.09167	2.4
159.02998	1.8
159.08173	4.7
161.04543	7.8
161.05949	2.6
175.07642	4.6
177.09209	75.5
178.09506	5.0
179.05606	8.9
179.07137	3.6
185.15599	1.2
195.04846	1.7
195.10281	5.2
205.12343	3.4
221.08205	23.5
223.08267	8.3
223.13409	1.8
239.09387	1.6
269.04578	4.1
270.94156	1.3
278.21310	1.2
280.29361	1.3
369.15219	1.7
385.18988	3.1
386.19183	1.7
445.17191	94.7
446.17511	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	445.1349
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
56.48831	1.3
57.03449	8.3
58.00577	2.2
59.01382	80.6
60.01706	1.7
61.98838	8.5
62.26336	1.6
68.33360	1.5
71.01382	23.6
71.66017	1.9
72.35406	1.4
72.99311	6.3
73.02953	11.5
74.02467	3.5
75.00902	1.8
82.87415	1.5
83.01395	5.4
85.02947	10.0
87.00843	3.3
88.98821	2.3
89.02455	12.6
93.03458	12.0
96.95978	4.8
97.02943	1.7
99.00881	2.5
99.04506	3.4
100.48021	1.4
101.02453	22.2
102.05584	1.7
108.02189	2.0
109.02946	5.6
111.00885	2.1
111.04560	1.5
113.02456	10.0
115.92110	2.2
116.92863	6.7
119.03505	3.6
121.02945	7.0
122.02529	2.3
123.00912	2.3
123.04549	3.2
124.01689	2.2
125.02490	1.6
127.00356	2.5
128.03531	2.4
131.03497	2.8
133.02959	32.1
135.04529	21.4
135.08189	4.2
137.02444	18.1
139.04019	89.3
139.07608	4.1
140.04370	1.7
143.03496	2.0
149.04562	2.2
151.04002	49.2
151.05234	2.8
153.01962	3.1
155.92038	1.5
161.02449	100.0
161.04562	4.4
161.09714	4.9
162.02795	4.8
163.03983	2.2
165.01962	2.1
179.03485	14.5
179.10773	2.1
197.04527	3.5
205.12340	1.7
205.65666	1.9
223.06177	7.6
223.09747	5.6
223.13303	2.1
239.05588	4.8
241.14119	2.3
258.76385	1.6
259.26459	2.0
269.04562	5.8
283.15335	1.9
301.09219	10.9
325.11517	2.3
341.08688	3.7
343.10330	3.4
385.18494	2.2
389.98154	1.6
403.19696	6.0
409.17316	2.8
445.13525	86.1
445.20596	3.4
446.13513	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	445.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01624	0.3
59.01380	5.3
61.98832	0.4
70.64510	0.3
70.64839	0.7
71.01387	1.3
72.97533	2.7
72.99332	0.3
75.00873	0.3
81.03457	0.6
85.02942	1.3
89.02435	0.6
93.03458	0.3
95.01368	0.4
95.05024	1.0
97.85695	0.3
99.00903	0.3
101.02457	0.8
107.07858	0.3
108.02197	0.7
109.02979	0.5
113.02449	1.7
121.02982	0.5
122.03750	1.2
122.06141	0.5
123.04527	84.6
124.04841	3.8
133.02992	0.5
134.97557	0.6
135.04526	1.1
137.02438	0.4
147.04512	1.6
152.01135	0.5
153.05576	100.0
154.05919	5.6
156.62764	0.3
159.04573	0.3
161.02419	1.2
179.03552	0.5
183.04518	0.3
267.06525	0.3
269.04550	5.1
283.06015	0.8
299.26483	0.3
308.86276	0.3
311.05624	0.5
342.89236	0.3
432.43811	0.3
445.09225	1.9
445.14938	0.4
445.24539	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	445.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99705	0.5
59.01374	2.4
61.98824	3.0
69.72168	3.0
71.01379	0.6
72.00909	8.0
74.02475	11.9
78.95897	0.7
81.82191	0.6
96.96015	2.1
96.96976	1.5
109.02975	0.8
111.38561	0.5
116.05064	42.7
117.05400	2.1
121.09320	0.5
129.05774	1.4
129.59967	0.5
130.06630	9.9
131.06946	0.8
132.04518	0.8
135.04593	0.7
142.06628	13.0
143.07063	0.9
144.04608	1.4
152.01152	0.6
157.07718	2.8
159.09290	9.2
160.09607	0.6
161.04816	1.5
175.08768	0.5
184.37241	0.5
186.05556	2.1
187.05807	0.5
193.05161	0.7
203.08257	100.0
204.08647	7.1
219.07764	3.0
225.06450	0.7
241.03836	47.5
242.04134	3.7
311.05420	0.5
314.04230	0.5
347.13455	0.8
429.97986	0.6
445.12631	5.8
446.13217	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	445.1141
Annotation	Apigenin 7-(6''-methylgalacturonide)
Peak:m/z	Relative Intensity
51.09089	0.3
57.03432	0.8
59.01381	9.1
59.11880	0.3
61.98816	0.4
63.02387	1.1
64.73326	0.4
65.00312	0.3
65.03958	0.4
71.01379	4.4
72.99306	2.0
73.02952	0.9
73.22942	0.4
75.00864	1.2
85.02948	6.8
87.00873	0.9
89.02461	1.8
93.03457	53.8
94.03806	2.6
95.01383	1.9
99.00880	2.8
101.02444	0.8
103.00346	0.9
107.01396	1.1
108.02180	0.6
108.76653	0.3
109.02950	0.9
111.00868	0.4
113.02450	10.7
114.02795	0.6
115.00376	1.1
117.01933	1.0
117.03451	4.5
117.72481	0.3
118.03811	0.3
119.03513	0.4
119.05016	3.3
121.02918	0.8
123.04523	0.7
124.48790	0.4
129.01924	0.8
133.02980	0.6
135.02988	0.4
135.04523	3.4
136.04993	0.4
137.02443	100.0
138.02765	4.4
145.02954	11.1
146.03232	0.4
149.02435	1.2
150.03178	0.4
151.00357	1.0
151.03981	0.6
152.01224	0.4
159.04504	1.4
161.02408	2.6
161.70982	0.3
163.04053	2.0
175.02499	2.5
179.03500	1.4
180.16318	0.3
183.04436	0.8
196.99634	0.3
225.05550	0.9
229.01553	0.5
251.13023	0.4
255.02879	0.6
265.04935	0.4
268.03745	0.3
269.04538	45.7
270.04868	4.6
281.09299	0.6
283.05969	0.4
283.11975	0.9
283.15405	0.5
299.07748	0.9
307.08206	2.5
369.10828	0.5
411.31866	0.4
415.02444	0.4
445.08777	2.2
445.24496	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	445.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03442	0.5
59.01377	4.1
68.99819	0.4
69.27701	2.8
71.01376	4.1
72.99309	0.9
73.02944	0.7
75.00880	0.3
78.47564	0.3
81.96163	0.3
82.51253	0.2
83.01434	0.3
85.02953	1.4
93.03458	12.0
94.03806	0.5
95.01378	0.3
99.00881	0.7
101.02447	3.4
108.01441	0.3
108.02138	0.5
108.28616	0.3
113.02438	3.4
117.03438	0.6
119.05027	100.0
120.05369	4.8
121.02982	0.7
134.06149	2.1
135.04539	1.3
136.01663	0.7
137.02443	23.1
138.02800	1.0
145.03000	0.5
147.03288	0.3
147.04541	0.3
151.04016	0.4
161.02473	0.5
163.04007	46.3
164.04338	3.0
175.02492	0.5
179.03450	1.0
197.04395	0.3
206.04636	1.0
218.04675	0.4
221.04639	0.3
239.05635	0.7
269.04544	5.8
270.05005	0.4
281.06662	32.9
282.06989	2.8
353.11426	2.4
356.55392	0.3
385.14029	1.1
401.12549	1.0
445.11371	25.7
446.11710	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	445.114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05401	0.5
58.10698	0.5
59.01380	6.0
69.03487	0.8
71.01379	1.9
71.62737	0.7
72.99302	0.8
81.03451	1.5
83.01398	0.6
85.02956	2.4
87.32469	0.5
93.03487	3.9
95.01386	2.2
97.82095	0.5
99.00883	0.7
101.02419	0.8
108.02176	100.0
109.02968	51.8
110.03284	1.5
113.02456	2.8
119.05020	7.3
121.02929	0.8
123.00883	1.4
125.02422	0.9
133.03015	1.1
135.00870	0.6
135.04509	2.3
137.02434	7.0
147.04539	3.3
151.04050	1.2
152.01155	70.2
153.01941	56.7
153.03268	1.1
154.02293	1.9
159.04533	0.8
161.02449	1.7
163.04005	5.2
165.01952	1.2
175.02368	0.8
179.03429	1.3
183.08168	0.8
195.08112	0.8
197.06070	1.1
211.07597	2.1
221.06052	0.7
223.14441	0.6
239.07104	6.7
242.08102	0.9
269.04523	9.6
270.04852	0.9
281.06711	1.4
297.06107	0.8
445.11426	71.2
446.11731	12.1
462.72916	0.6
469.01392	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	445.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06235	0.3
59.01380	3.4
69.03467	0.8
69.41767	0.9
69.42188	1.5
71.01385	0.8
78.29201	0.3
81.03471	1.4
83.01369	0.3
85.02965	1.9
89.02483	0.4
93.03461	0.9
95.01405	1.2
97.02923	0.4
103.00412	0.5
107.01360	0.5
108.02177	100.0
109.02981	25.2
109.03547	0.3
110.03298	0.9
113.02450	0.9
121.02985	1.4
122.03779	0.4
123.00890	1.1
123.04527	0.9
125.02460	0.4
125.91117	0.3
133.02960	1.5
134.03745	0.4
135.00891	1.8
135.04529	1.2
137.02458	0.7
147.04541	2.6
151.02971	0.3
151.03993	1.5
152.01152	68.0
153.01945	24.4
154.02304	0.7
161.02461	3.9
163.04007	1.0
163.21613	0.3
165.01903	1.0
167.08633	0.4
179.03497	0.6
183.08118	2.0
193.05034	0.3
193.06587	0.7
195.02969	0.3
195.08148	0.8
197.06055	1.0
210.06831	0.8
211.07610	3.6
212.08026	0.3
221.06062	0.5
238.06378	0.6
239.07130	9.1
240.07426	0.5
269.04602	3.2
270.04840	0.5
276.13513	0.3
281.08218	0.7
283.06046	1.0
297.06125	0.5
445.11365	80.5
446.11740	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48619	0.9
59.01379	100.0
60.01708	1.5
61.98828	5.5
68.04630	0.9
71.62825	1.0
72.99323	1.1
83.05032	0.8
84.81046	0.9
89.02457	1.0
91.03993	6.4
109.02937	1.2
119.05032	1.3
133.02960	1.4
135.04529	1.7
137.02417	1.2
161.02406	5.5
179.03465	1.2
195.13971	1.5
218.30563	1.0
221.15398	1.3
257.91592	1.0
291.19574	4.6
309.20703	21.2
310.20996	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	443.3531
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.13375	1.0
57.03438	1.5
59.01375	1.7
60.99313	16.9
69.03458	2.1
71.01363	1.5
72.02174	1.9
76.98814	0.8
80.02681	2.8
89.74719	1.0
133.85576	0.8
137.09692	2.3
148.03189	0.8
149.09676	1.4
168.08592	0.8
224.99117	0.9
377.28690	2.3
391.29910	2.5
399.32724	7.2
400.33020	2.0
405.31509	1.4
407.33182	100.0
408.33478	20.3
409.34711	17.2
410.35141	3.3
412.45923	1.0
413.33826	4.2
421.30878	1.5
423.32333	1.9
425.34360	4.9
427.35950	10.8
428.36127	2.3
443.29117	2.0
443.35333	14.9
444.35571	3.4
453.27222	1.3
453.33707	27.0
454.33859	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	445.0776
Annotation	Baicalin
Peak:m/z	Relative Intensity
50.87471	0.2
55.01863	0.4
57.03448	2.1
59.01378	7.8
63.02074	0.3
63.02393	3.1
65.00317	1.3
67.01871	0.3
68.99788	0.5
71.01384	6.7
72.01731	0.2
72.99308	1.4
73.02936	0.5
75.00870	3.0
83.01389	0.8
85.02953	13.9
86.03293	0.3
87.00877	2.5
89.02431	1.3
93.03445	0.4
95.01392	4.2
99.00883	5.0
101.02450	0.3
103.00365	1.9
105.03434	0.3
107.01376	2.4
111.00877	0.5
113.02451	20.1
114.02785	0.4
115.00350	1.1
117.02027	1.4
117.03461	6.6
118.03767	0.4
121.02937	0.4
124.47549	0.2
129.01935	0.9
135.04527	0.3
139.00366	0.2
149.02426	1.9
151.00366	2.1
157.01350	0.5
157.06558	0.2
159.04501	2.4
161.02431	1.6
163.51369	0.2
169.06573	0.7
175.02495	3.5
180.05777	0.2
181.06567	0.9
182.03665	0.4
183.04562	1.0
196.05324	0.6
197.06155	0.9
199.04068	0.4
201.05589	0.9
224.04774	0.3
225.05540	1.6
227.03503	0.9
241.05026	0.2
268.03781	0.3
269.04538	100.0
270.04886	9.5
270.07831	0.3
445.07635	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01868	0.5
55.01873	0.9
57.03451	8.1
58.93814	0.5
59.01382	100.0
60.01709	1.4
61.98837	3.8
65.24284	0.6
69.03473	1.0
71.01385	29.0
71.65945	1.0
72.99326	3.2
73.02945	13.3
73.03334	1.0
74.02499	0.9
75.00906	1.8
78.91901	0.8
83.01374	3.6
83.05014	0.7
85.02958	9.7
85.03436	0.7
87.00888	1.5
89.02447	9.7
93.03463	17.8
94.03783	0.6
95.01405	2.3
95.05045	0.8
97.02973	1.3
99.00894	3.1
99.04536	5.1
99.92613	0.7
101.02449	15.8
107.05022	0.7
108.02203	1.4
109.02979	4.5
109.06609	2.1
111.04533	0.8
113.02446	13.4
115.92065	0.7
116.92899	0.7
119.00267	0.6
119.03522	3.4
119.05006	7.4
121.06624	2.5
122.03768	2.4
123.04546	1.2
124.05296	6.1
125.02457	4.0
125.06144	1.2
128.80228	0.6
129.01958	0.8
131.03517	1.0
133.02985	1.5
133.06602	4.1
135.04529	4.6
136.05302	0.8
137.02443	29.9
137.06090	3.5
138.02817	0.7
138.06903	0.8
139.07655	33.0
140.07956	1.2
143.03543	2.1
149.06105	1.5
149.09753	2.6
150.06859	3.6
151.07651	8.9
152.01189	1.3
153.01932	4.4
153.09140	0.8
158.56006	0.6
159.03024	1.6
161.02502	3.3
161.04570	11.9
161.05859	0.5
163.04018	6.5
163.07683	1.2
168.07915	19.4
169.08350	1.5
173.09703	0.8
175.03949	0.7
175.07681	0.9
176.08444	1.2
179.03528	1.3
179.05672	1.7
179.07262	1.1
179.10811	2.0
191.10753	15.8
191.12329	1.0
192.11171	0.8
203.03462	0.8
203.10782	6.9
205.03525	0.6
209.11707	3.0
214.05550	0.6
221.04617	0.7
221.08464	0.6
221.11819	10.8
222.12241	0.9
237.12468	0.9
239.12920	12.8
240.13396	0.9
263.12915	0.7
281.06812	1.0
281.11450	0.8
297.08368	1.9
299.07629	1.3
300.07642	0.6
353.15997	2.9
383.17123	11.7
383.21762	0.8
384.17740	1.7
401.18320	2.0
443.12073	3.6
443.19568	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	443.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95620	2.5
55.01869	5.0
57.03443	8.0
59.01380	51.9
61.98840	6.3
69.03479	4.2
69.83064	9.9
70.53422	2.3
70.89938	2.2
71.01385	24.2
72.99300	6.4
73.02946	28.1
75.00871	12.2
83.01378	8.4
85.02952	7.8
87.00876	15.9
89.02431	5.3
93.03456	46.9
94.03768	2.1
95.01423	3.7
97.55900	1.9
99.00868	10.5
99.04548	3.5
101.02453	23.6
108.02169	11.4
109.02954	8.2
111.00883	100.0
111.01645	5.5
112.01203	4.9
113.02462	13.2
117.03441	10.1
119.05029	6.3
125.02454	6.5
129.01933	22.2
131.03474	3.9
134.03644	2.8
135.04500	7.2
137.02448	91.3
137.03491	5.1
138.02832	3.7
141.01976	15.8
145.02950	39.2
151.07643	2.8
152.01183	10.8
153.01897	9.3
159.02994	76.1
160.01591	3.6
161.02483	2.8
161.04527	2.9
161.05952	3.3
161.09731	4.9
163.04036	14.5
167.03366	3.0
175.03987	6.8
176.01198	3.0
179.03400	2.8
179.10773	3.1
179.54547	2.0
180.75034	2.4
195.06555	3.9
223.13409	10.5
246.14203	3.3
272.81955	2.8
298.54776	2.4
299.07446	3.7
305.08835	3.2
315.06909	2.6
335.14856	6.6
443.10745	6.0
443.16208	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	443.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03431	1.4
58.00585	1.1
59.01381	36.3
60.01721	0.7
61.98823	2.9
66.83424	0.6
69.54118	5.7
71.01383	19.3
72.99320	2.1
73.02945	5.1
75.00878	0.9
83.01388	2.1
85.02950	5.2
87.00861	1.1
89.02443	6.4
93.03477	0.8
95.01358	1.1
97.02965	1.0
99.00870	1.7
99.04500	1.1
101.02444	10.4
108.02174	2.2
109.02957	3.9
113.02435	6.9
115.04028	0.7
115.05550	3.0
119.03506	3.5
119.05014	1.3
123.04578	1.0
125.02406	1.3
131.05031	6.9
133.02945	1.0
133.05052	4.7
133.06587	3.0
135.04524	5.8
137.02440	1.6
138.01936	3.3
143.03456	0.9
145.06592	2.9
147.04521	100.0
148.04880	4.6
149.04436	0.8
151.06136	6.0
151.07288	0.9
153.01923	3.2
153.29842	0.7
159.03082	1.1
159.04529	1.3
159.11789	1.7
161.02431	1.7
161.04599	3.1
161.06075	46.6
161.09712	2.4
162.06393	3.7
167.03455	1.0
173.06007	1.1
175.06129	3.9
177.12862	1.7
179.03632	1.0
181.29649	0.7
189.05582	17.8
190.05890	1.7
203.10754	1.4
211.42081	0.8
217.07149	1.7
219.06622	1.0
219.13918	0.7
221.11774	5.2
253.98810	0.7
295.10327	9.5
296.10519	0.9
307.07779	0.8
443.14706	1.1
443.19330	2.8
444.25638	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	443.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25362	0.6
57.03433	0.8
59.01383	100.0
60.01710	1.3
69.48463	5.7
71.01401	3.1
72.99323	1.7
73.02957	1.8
75.00885	1.3
83.01425	0.9
85.03002	1.3
87.00901	1.0
88.04123	0.8
89.02440	1.1
93.03454	3.7
93.82795	0.6
99.00899	4.1
101.02465	2.3
108.02145	1.0
113.02478	1.5
117.03518	2.3
119.05032	16.6
121.02847	0.7
134.03757	0.8
135.04568	1.4
135.68517	0.6
136.88568	0.7
137.02477	5.4
138.02800	1.0
138.68245	0.7
145.02965	10.0
146.03748	6.3
153.01921	0.7
161.06093	2.5
163.04018	13.6
164.04842	4.4
168.32137	0.7
177.09195	1.3
179.03546	0.7
179.07135	16.4
180.07442	0.9
181.05095	6.0
237.06142	1.3
297.08380	3.8
308.32968	0.7
312.40530	0.7
443.15680	6.8
443.25073	1.0
444.19205	3.5
451.17746	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	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03364	0.8
59.01383	100.0
60.01700	1.2
61.98820	0.9
67.28612	1.0
69.58469	2.0
69.58862	6.3
71.01374	4.0
72.99316	2.1
73.02950	2.9
74.44215	0.9
75.00867	2.9
79.07432	0.8
85.02953	1.8
87.00854	1.5
89.02434	2.0
93.03456	4.0
95.05020	1.0
98.20650	1.0
99.00893	8.5
101.02431	2.6
113.02451	1.8
117.03455	2.4
119.05023	24.6
120.05389	1.1
128.03510	1.5
135.04503	2.7
137.02431	6.4
145.02959	9.6
146.03778	5.8
153.01918	1.1
161.06081	2.9
163.02702	1.8
163.04015	27.3
164.04819	4.4
167.92336	0.9
177.09235	1.3
179.07123	14.5
181.05092	7.1
221.11772	1.3
237.06148	1.1
261.06064	1.6
297.08270	7.6
352.82864	0.8
385.11169	1.6
443.15781	6.6
444.18524	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	443.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.4
61.98833	78.6
65.09129	3.2
66.77197	2.9
70.39195	2.8
71.01382	30.1
71.16936	6.7
72.99334	3.6
74.02463	9.3
80.77142	2.7
85.02974	5.7
88.04041	5.9
89.02427	6.8
93.03467	5.9
96.96032	6.5
101.02442	7.9
108.01555	3.1
108.02151	17.4
109.02972	16.8
111.41721	2.8
113.02509	4.2
116.03529	3.9
119.03518	3.4
119.04981	4.3
135.04521	5.2
137.02463	11.8
146.08232	38.6
152.01180	20.1
153.01930	10.6
161.02422	3.6
161.04678	3.1
163.04010	7.2
213.75566	3.0
281.06708	4.3
308.13464	5.6
315.07321	7.5
320.97983	3.4
348.20596	3.4
380.15598	100.0
381.15918	13.4
393.91049	3.5
414.10565	6.1
426.10568	8.4
444.11368	25.6
467.51315	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	443.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03452	1.6
59.01378	42.3
61.98825	4.2
69.61735	6.2
71.01376	18.4
71.35811	0.9
72.99305	3.5
73.02948	7.3
74.99105	1.4
75.00888	1.0
83.01392	1.7
85.02960	6.1
87.00858	2.2
89.02438	6.8
91.11991	0.8
97.02990	1.4
98.19868	1.7
99.00861	1.2
99.04530	1.9
99.21172	0.8
101.02444	9.8
108.02174	2.3
109.02950	7.7
113.02444	6.4
115.05535	1.9
116.63540	0.8
118.98030	0.9
119.03506	4.6
119.04983	1.4
121.02907	1.1
123.04510	2.1
125.02438	1.1
127.00403	0.9
131.05000	6.8
133.02916	1.7
133.05072	4.5
133.06599	2.4
135.04517	10.3
137.02441	1.7
137.06073	1.3
138.01978	3.1
143.03552	1.4
143.04906	1.2
145.06570	1.9
147.04521	100.0
148.04890	5.0
149.04370	0.9
151.06114	6.5
151.07289	1.1
152.01144	2.1
153.01953	8.0
154.28960	1.0
159.04463	1.5
161.02472	5.3
161.04602	3.7
161.06068	53.0
162.06398	3.5
167.03477	2.6
173.00912	0.9
173.06050	1.2
175.03954	1.5
175.06088	3.7
179.03503	2.3
179.05424	0.9
179.10869	1.2
189.05559	17.8
193.03331	1.2
197.04654	1.0
203.10710	1.7
205.05002	1.2
217.06976	0.9
221.11592	2.2
235.08084	1.2
249.07649	1.3
295.10367	9.0
399.26141	1.1
443.14438	2.5
443.19217	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	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09739	1.1
55.01872	1.3
57.03448	4.8
59.01381	33.9
61.98843	14.4
69.69032	2.0
69.69444	6.0
70.44305	1.3
71.01383	16.7
72.99311	1.6
73.02956	7.6
74.02495	2.2
75.00877	29.5
78.95908	11.2
83.01398	2.7
85.02939	6.0
87.00892	5.6
89.00516	1.2
89.02451	10.4
93.03457	17.9
96.96025	2.4
96.96960	2.8
98.20528	2.5
99.00880	14.3
99.04515	3.3
101.02440	11.8
109.02908	1.6
109.06585	1.1
113.02451	6.0
117.01935	6.7
117.03477	1.6
119.05028	87.7
120.05360	5.3
125.02446	4.8
125.89412	1.1
133.02937	3.6
135.03004	3.7
135.04504	7.7
137.02435	25.8
139.07613	3.0
146.03719	1.4
149.06023	4.0
161.02505	9.9
161.04549	2.3
162.83952	2.7
163.04007	96.3
164.04372	4.9
168.07941	2.0
177.05588	8.9
179.03503	5.3
179.07137	2.7
221.04521	8.7
222.04663	1.4
237.06140	18.9
238.06407	1.8
239.12944	1.9
279.07263	3.2
281.06601	7.3
293.09116	1.2
297.08273	100.0
298.08606	7.2
357.08865	1.7
383.09808	4.1
393.34946	1.3
425.11606	2.0
443.12131	9.6
443.18930	3.1
444.18741	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	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21083	1.0
57.03455	17.4
57.16882	0.8
59.01383	23.6
61.98820	0.8
71.01382	4.8
71.58057	1.0
73.02941	1.7
85.02959	1.4
89.02439	2.2
93.03461	63.4
94.03797	1.8
99.00883	5.5
99.04524	12.2
101.02467	7.3
109.02950	1.0
109.06560	0.9
113.02438	3.2
114.37874	0.9
119.05029	10.2
121.02950	1.5
123.04520	1.0
125.02442	9.9
135.04591	1.8
137.02451	100.0
138.02809	5.0
139.07643	1.4
143.03476	1.7
145.02965	0.8
151.07684	1.4
153.09158	0.9
161.02432	1.3
161.04488	0.9
163.04030	12.6
177.09180	1.3
179.07132	2.4
179.10802	0.9
192.04230	1.2
201.30034	0.8
221.11789	3.4
239.12741	1.3
261.06107	1.5
281.06567	2.0
297.08179	1.1
299.07663	2.9
341.08630	1.6
383.17184	0.9
391.08658	0.9
443.11813	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	443.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28233	1.4
59.01383	35.1
61.98832	100.0
68.01411	3.9
71.01369	5.9
73.02952	1.7
85.02939	2.5
98.20661	3.2
101.02412	1.9
110.02472	3.7
113.02438	3.1
130.90277	1.7
135.04517	4.2
147.04549	3.2
159.02966	1.6
161.04539	3.6
186.45932	1.9
203.05598	3.9
221.11810	2.2
224.47104	1.5
230.06645	8.8
250.22229	1.8
260.92029	1.6
276.08786	2.0
443.14987	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	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	1.1
57.03450	18.0
59.01382	17.5
59.11404	0.6
61.98820	1.0
62.55872	0.6
66.19823	0.6
66.62341	0.7
69.03466	0.7
69.68365	0.5
71.01382	4.1
71.39316	0.7
73.02959	1.5
85.02947	2.0
89.02422	0.9
91.24787	0.6
93.03461	60.0
94.03810	1.9
96.11535	0.7
97.02965	0.7
99.00880	3.4
99.04523	11.8
101.02453	7.2
104.80540	0.5
108.02148	0.8
109.02965	0.8
113.02425	1.6
119.05037	4.9
123.04533	0.9
125.02448	11.5
125.03293	1.0
135.04518	1.5
137.02448	100.0
138.02780	4.9
139.07651	0.8
146.03772	1.0
161.04532	1.6
163.04005	8.2
163.07751	1.0
164.04765	0.7
179.03461	1.2
179.07149	1.9
179.10783	1.2
191.10765	1.5
203.10870	1.3
221.11964	1.7
281.06619	1.6
281.62045	0.6
299.07745	3.4
341.08716	1.7
382.72433	0.7
443.11792	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	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33080	0.3
56.51582	0.4
59.01382	7.0
61.98842	6.0
62.19252	0.3
70.88498	1.0
71.01390	3.1
73.02952	0.6
74.02477	0.6
74.11603	0.4
75.00874	0.9
78.95901	0.4
85.02953	0.6
87.00871	0.6
89.02446	2.0
93.03461	3.1
96.67837	0.4
98.20638	0.4
99.00900	1.6
99.04518	0.6
101.02441	1.3
107.82999	0.4
109.02956	0.5
113.02455	1.1
117.01960	0.6
119.05030	48.6
120.05363	2.3
125.02488	0.5
135.04529	1.3
137.02448	3.6
139.07654	0.8
149.06027	0.4
161.02492	0.9
161.04544	1.0
163.04015	100.0
164.04343	6.3
165.05418	0.4
177.05627	0.7
179.03453	0.6
179.07195	0.7
187.91473	0.5
206.43924	0.4
228.17029	0.4
237.06223	0.6
279.07217	1.7
281.06653	1.3
281.60577	0.4
297.08234	4.7
302.92548	0.4
443.12384	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	441.3372
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
57.03446	0.8
69.03453	1.4
71.05016	2.1
71.65840	0.7
71.79005	0.3
79.95719	0.5
84.60571	0.4
85.06608	0.6
96.96018	3.7
97.06593	2.3
111.08142	2.4
123.08130	0.5
133.02902	0.4
163.11232	0.6
189.12862	6.8
190.13249	0.9
191.14407	12.7
192.14789	0.7
216.81448	0.4
249.18694	0.4
273.18652	1.9
289.21671	1.3
308.57721	0.4
337.21686	0.7
339.23184	0.5
367.26288	1.2
375.26849	0.8
381.93356	0.4
389.28323	0.5
403.30017	0.5
405.31696	1.5
406.31229	0.5
407.29520	1.2
421.31180	3.5
422.31519	1.0
423.32697	13.1
424.33093	2.8
439.32166	1.6
441.25381	2.7
441.33704	100.0
442.34055	19.3
448.34695	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	442.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.6
58.02979	1.0
59.01384	7.3
59.38128	0.5
61.98817	1.7
70.15022	2.5
71.01383	6.5
72.01704	0.6
72.99294	0.6
73.02949	2.0
81.03471	2.1
83.01406	0.8
85.02949	6.4
86.02529	0.5
86.80147	0.5
87.00875	0.6
89.02458	0.8
89.70767	0.6
93.03461	22.3
95.01373	3.7
96.11964	0.6
98.06125	0.8
99.00874	2.8
99.04517	3.7
100.07694	3.1
101.02453	5.6
102.05611	5.8
108.02178	60.0
109.02969	46.6
110.03288	1.5
113.02424	3.5
119.05031	1.9
121.02931	2.0
123.00860	2.7
123.04515	1.7
125.02457	3.4
126.05613	2.8
133.02946	1.0
135.04524	1.4
137.02444	35.1
144.06667	10.8
144.98317	0.5
151.04010	1.7
152.01157	66.8
153.01949	21.6
154.02274	1.3
159.02893	0.6
161.04558	1.9
163.03999	3.5
165.01949	2.1
177.02007	0.6
179.03445	0.6
207.06735	0.7
225.03912	0.7
271.63437	0.6
299.07828	1.0
315.07233	6.1
316.07825	0.7
341.08664	1.1
345.89429	0.7
420.81250	0.6
442.13531	100.0
443.13806	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	443.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96324	0.6
55.58593	0.7
55.58915	0.6
59.01092	0.9
59.01383	16.3
61.98826	2.3
62.64565	0.6
70.80603	1.2
70.80912	0.7
71.05029	0.7
74.19232	0.6
84.06458	0.8
88.02609	0.8
88.56979	0.6
91.16445	0.7
95.05018	0.8
100.27156	0.7
113.02511	0.9
132.02208	1.8
133.02962	25.3
134.03322	1.9
135.04544	2.1
149.90005	0.7
161.02446	77.4
162.02762	7.1
179.03401	0.7
181.06601	1.0
209.06082	4.0
211.03964	1.7
225.05493	3.7
235.03975	2.7
237.05605	1.6
241.17900	0.8
252.04280	1.0
253.05109	5.2
263.03421	4.3
264.04254	10.3
264.94214	0.6
265.04510	1.0
280.03815	3.6
281.04547	100.0
282.04919	9.5
399.08832	0.9
414.28577	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	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03447	1.3
58.00594	1.0
59.01383	100.0
60.01714	1.9
60.66045	0.4
61.98838	5.1
69.03472	0.6
69.58522	1.0
69.58932	1.8
71.01383	13.2
71.05025	5.4
72.05346	0.7
72.60609	0.4
72.99313	1.3
73.02951	11.2
81.03449	0.4
83.01387	3.4
85.02950	2.3
87.00919	0.5
89.02451	4.5
95.01435	1.7
96.96042	0.5
97.06506	0.5
101.02450	9.7
101.03077	0.7
109.02986	1.3
112.01731	0.8
113.02439	3.7
114.02777	0.6
119.03539	1.3
121.10271	0.9
123.04552	0.6
125.02482	0.5
126.90561	0.4
131.03539	1.0
133.03011	0.8
135.04526	3.4
137.02451	0.4
143.03517	0.9
143.10762	2.7
144.11156	1.5
145.03000	1.1
146.03365	0.6
149.02420	0.4
149.04552	0.7
149.12714	0.5
161.02457	3.5
161.04599	1.7
163.04074	0.6
167.14400	2.4
168.14760	2.5
172.05334	1.0
173.06078	0.5
175.15044	0.8
179.03464	2.6
185.11850	1.1
186.12292	1.2
201.09236	1.0
210.05263	0.5
211.13429	2.9
212.13763	2.3
219.13922	3.3
229.14403	4.6
230.14868	4.3
267.06583	0.5
268.07486	1.0
272.18744	0.8
273.19104	1.8
289.50174	0.5
299.09503	0.5
304.49075	0.5
327.23859	1.0
382.14276	0.9
409.31418	0.9
421.31250	0.7
422.74542	0.4
439.32391	2.9
440.32556	0.6
441.06052	0.5
441.15707	1.7
441.21442	4.3
441.31067	3.7
441.33517	2.6
442.17651	0.6
442.33969	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	441.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36602	4.5
56.54055	4.8
59.01382	95.8
61.13817	4.7
64.38980	4.6
71.63565	5.0
72.74921	5.3
77.69823	4.4
79.73746	4.7
79.95734	11.0
96.35977	5.0
96.96004	82.7
195.86061	4.1
441.25311	100.0
442.25494	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	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
58.00601	0.9
59.01381	100.0
60.01721	1.9
61.98854	1.0
66.74712	0.5
71.01384	11.0
71.05032	0.8
72.99318	1.3
73.02558	0.4
73.02946	6.9
83.01390	2.1
83.05017	0.6
85.02965	2.4
87.00885	0.5
89.02447	5.8
95.01415	0.9
99.00949	0.4
101.02438	7.9
109.02959	1.0
111.73313	0.4
113.02443	4.5
116.92803	0.6
117.03468	0.7
119.03535	1.5
131.03429	0.6
133.02998	0.7
134.06049	0.4
135.04501	2.1
140.25018	0.5
143.03542	0.7
145.03009	1.2
146.03331	0.6
159.04570	0.7
161.02458	2.9
161.04597	1.2
163.04018	0.5
173.21587	0.4
175.14923	0.6
179.03540	1.3
190.85088	0.5
201.09145	1.2
212.98164	0.4
219.14058	0.9
283.93921	0.5
347.77414	0.4
382.14215	0.8
400.15021	0.5
439.32260	1.1
441.15958	1.1
441.21347	1.0
441.26447	0.9
441.33173	0.9
442.17474	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01712	1.4
69.37583	1.0
69.37988	3.1
71.01384	6.5
73.02939	2.9
83.01412	0.9
85.02959	2.2
89.02452	4.6
90.65233	0.4
93.03478	2.0
99.00877	0.5
101.02444	4.8
101.26836	0.5
113.02454	3.3
119.03516	1.8
123.90202	0.4
133.02965	1.2
135.04550	0.7
137.02429	3.8
143.03600	0.6
144.30716	0.4
150.03262	0.5
161.02449	3.8
161.04617	1.1
179.03662	0.6
179.05577	0.5
182.82724	0.5
240.94615	0.5
399.23758	1.5
441.30200	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	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01868	0.5
59.01380	100.0
60.01715	1.2
61.61677	0.4
67.38735	0.4
69.48270	3.0
71.01379	5.9
72.99306	0.6
73.02946	2.5
83.01411	0.6
85.02953	2.0
85.56535	0.5
87.00831	0.4
89.02442	3.5
92.62266	0.4
93.03467	1.7
95.01419	0.5
101.02452	3.5
113.02463	3.1
119.03540	1.2
121.47810	0.4
128.60651	0.4
131.03513	0.4
133.02904	0.7
135.04576	0.5
137.02463	2.4
153.01857	0.4
161.02440	3.3
161.04550	0.5
179.03651	0.5
204.74806	0.4
237.18666	0.5
249.31209	0.4
259.73892	0.4
277.95837	0.4
305.51166	0.4
381.22980	0.6
399.23993	1.2
405.22266	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	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87203	1.2
57.03450	3.8
58.00610	2.7
59.01381	53.3
61.98845	6.5
69.85461	7.0
69.85763	1.5
70.48703	1.3
71.01386	31.1
72.18326	1.3
72.99308	6.4
73.02953	4.2
75.00886	1.8
81.03482	2.7
81.94240	1.6
83.01410	2.4
83.05054	2.7
85.02942	7.7
87.00881	2.7
89.02451	33.4
93.03485	2.1
95.01410	3.0
96.96024	3.3
97.06600	2.6
98.19713	1.3
99.04567	2.5
101.02453	18.6
107.05077	1.6
108.02161	7.8
109.02957	8.2
109.06631	1.7
111.04562	1.8
113.02461	8.9
119.03517	13.6
119.05025	3.5
121.06623	5.2
123.04552	1.7
123.08199	2.0
125.06107	2.9
130.51700	1.3
131.03484	3.0
133.02959	2.2
133.06612	1.6
135.04524	15.5
136.05002	1.6
137.02448	1.9
137.06076	2.0
137.09734	1.3
139.07674	1.7
143.03448	2.0
145.03003	4.3
147.11798	3.7
149.06079	1.4
151.07660	23.6
151.11348	3.5
152.01112	2.6
152.08350	1.4
153.01953	4.6
160.01672	1.9
161.02480	7.5
161.04578	4.2
161.06067	2.9
163.04051	3.8
165.09256	1.5
167.07147	5.1
171.11835	2.8
173.09775	3.5
175.04065	1.9
175.11301	1.8
177.05591	2.0
179.02231	1.3
179.03592	4.6
179.05652	10.8
179.07173	5.1
184.08954	9.1
185.11790	1.9
187.07634	2.0
187.11398	4.4
189.12872	8.4
197.04599	2.4
199.11263	6.8
201.09236	6.9
202.09917	3.2
205.05106	4.3
205.12486	2.7
213.81789	1.5
215.10829	4.4
217.12329	55.0
217.14392	2.8
218.12752	3.7
235.06161	1.6
235.13460	12.0
261.11407	5.4
279.12473	2.3
295.10425	4.3
305.05557	1.3
330.13480	1.6
373.97021	1.3
397.15012	1.3
441.17865	100.0
442.18369	12.1
449.20053	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	441.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80727	0.2
56.28779	0.2
59.01089	0.2
59.01380	4.1
69.35709	1.6
71.01384	0.5
71.04988	0.2
85.02944	0.3
89.02492	0.2
89.03947	0.2
101.02438	0.3
103.56609	0.1
105.03456	0.4
109.02952	0.6
115.01888	0.2
117.03439	0.3
119.05054	0.2
123.04564	0.2
132.02161	2.3
133.02954	32.1
134.03287	1.7
135.04529	1.1
145.02937	0.5
146.03720	0.8
147.04475	0.4
149.02460	0.3
149.06044	0.6
150.03212	0.8
151.04033	0.2
159.04492	0.4
161.02441	100.0
162.02776	6.2
163.04005	0.2
165.89857	0.2
173.05873	0.2
174.03206	2.6
175.04008	2.6
175.07584	0.6
176.04276	0.2
177.05501	0.3
179.03394	0.4
186.03111	0.2
187.03951	0.4
187.07635	0.5
189.05507	0.3
200.04791	1.4
201.09138	0.4
202.06322	0.2
203.03438	0.2
203.07118	3.6
204.07571	0.3
205.08673	0.5
210.22351	0.2
211.07674	0.8
215.06960	0.2
218.05792	1.8
229.08672	1.3
237.11497	0.2
247.09741	3.1
248.10074	0.3
279.12390	3.9
280.12744	0.3
321.11273	0.8
347.12833	0.3
355.12158	0.2
365.13922	0.6
395.14359	0.2
399.23370	0.2
441.15790	0.8
441.34390	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	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91271	0.9
53.43899	0.6
59.01384	18.9
69.03432	1.1
69.39788	1.7
69.40194	4.6
71.01382	16.0
72.99312	4.3
73.02953	1.6
75.00877	100.0
76.01232	0.8
83.01363	1.1
84.25108	0.7
85.02942	2.3
89.02457	2.3
93.03478	0.8
96.96013	31.1
97.62775	0.7
101.02446	3.6
109.02878	0.8
113.02438	3.2
115.05544	2.0
117.03484	0.9
119.05048	1.0
131.03523	3.9
131.05029	6.3
132.05373	0.8
133.02994	1.1
133.06573	3.0
135.04507	2.7
136.04837	0.9
136.49826	0.7
137.02437	1.7
143.05034	1.1
145.02959	1.6
145.06589	2.5
147.04524	60.7
148.04909	3.4
149.04570	2.8
154.04610	0.8
157.45279	0.9
161.02489	4.8
161.06078	63.3
162.06400	3.9
163.07594	1.6
173.06085	1.3
181.73465	0.8
189.05554	20.0
190.05911	1.3
249.07774	1.0
441.13998	98.8
442.14310	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	441.1401
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
52.00616	0.7
57.03446	0.9
59.01389	9.9
66.83671	0.7
71.01386	100.0
72.01710	0.8
72.99313	13.2
73.02943	5.2
75.00878	9.5
80.57107	0.7
85.02953	7.7
87.00877	1.5
89.02448	6.1
97.02933	0.7
98.20717	1.3
99.00890	2.0
101.02438	7.7
113.02447	8.2
115.00384	12.9
119.05077	1.6
125.02454	1.1
131.03487	1.4
131.05049	1.2
133.06598	1.7
135.04532	2.7
137.02478	1.4
143.03525	1.9
145.02942	0.8
145.06645	0.8
147.03511	0.6
147.04523	15.7
147.05618	1.4
148.05315	35.8
149.04614	0.9
149.05756	1.5
159.02991	2.5
161.02533	1.6
161.04568	26.5
161.06082	16.8
162.05026	0.7
163.07646	23.9
164.07979	1.3
181.85818	0.7
189.05589	4.8
190.06050	1.0
198.03563	0.8
238.53212	0.6
252.89729	0.7
259.04565	1.2
323.72281	0.7
325.12933	2.6
333.88309	0.7
350.75131	0.7
382.13837	1.4
413.29578	0.7
423.13055	2.8
441.13943	21.8
442.14136	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	440.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03173	1.2
57.03447	13.8
57.58220	0.6
59.01378	38.0
60.01713	0.8
61.98516	1.2
61.98831	20.2
69.03462	0.9
71.01378	4.8
71.05022	49.6
72.05341	1.0
73.02959	4.2
77.40838	0.7
83.01383	1.3
83.05032	1.3
84.08205	0.7
85.02938	1.5
85.06609	1.0
89.02464	0.9
93.33670	0.6
95.01400	1.0
96.08186	1.4
97.06580	1.3
99.08147	0.7
101.02465	4.2
104.53372	0.7
111.08169	2.3
113.02435	2.0
113.06090	4.3
114.09238	3.7
117.03454	2.5
118.03789	0.8
119.05029	1.1
120.05393	0.9
125.09743	1.5
129.09206	0.9
131.07138	2.1
133.02927	0.7
134.03700	0.8
135.04494	1.8
143.10774	47.1
144.11111	2.3
145.02960	7.9
146.03271	1.4
161.02426	2.5
163.04028	1.1
165.12845	1.6
167.14403	55.0
168.14729	3.8
180.13927	1.0
185.11824	35.4
186.12106	1.9
210.14993	1.1
211.13383	71.4
212.13713	5.2
214.09505	0.6
219.13821	0.9
226.18173	0.9
228.16031	2.8
229.14432	100.0
230.14754	7.1
254.17627	6.3
272.18646	39.3
273.19000	4.7
281.21210	9.0
282.21497	1.0
291.17926	1.0
299.22244	2.7
325.20160	10.3
326.23386	19.6
327.23520	2.3
353.26950	0.6
374.83670	0.7
422.29065	3.6
423.29605	0.7
440.30139	63.4
441.21100	1.4
441.30331	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	440.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66763	0.6
52.70238	0.7
53.69145	0.6
57.03448	3.4
59.01379	37.5
60.01694	1.0
61.98832	100.0
71.01402	3.6
71.05022	11.5
71.23804	0.9
72.99323	0.7
73.02953	3.3
83.01389	0.9
85.02987	1.1
89.02441	1.1
101.02423	3.9
111.08187	0.9
113.02435	1.5
113.06097	1.3
114.09256	1.5
117.03474	2.6
119.03445	0.6
119.05070	0.7
131.53212	0.7
135.04543	3.2
143.10765	12.0
145.02960	7.5
146.03320	1.5
157.75861	0.8
161.02470	3.3
161.04623	0.7
163.04062	1.7
167.12999	0.9
167.14407	14.9
168.14752	0.8
179.03549	0.9
185.11806	8.9
211.13399	18.4
212.13744	2.1
229.14436	27.8
230.14870	1.9
254.17714	2.0
272.18683	9.8
281.21259	2.2
291.18219	2.0
325.20349	2.9
326.23581	4.6
327.23596	0.7
399.20508	0.8
422.29095	1.5
429.53442	0.7
433.99173	0.7
440.14597	1.5
440.30136	20.8
441.21457	1.4
441.30695	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	440.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79448	0.2
55.01913	0.2
59.01380	4.4
61.98836	0.2
71.01393	2.7
72.99320	0.4
73.02950	2.2
83.01385	0.6
85.02964	1.3
89.02431	0.2
92.94755	0.2
98.19823	0.5
99.00891	0.3
101.02441	2.3
113.02448	1.6
117.03470	27.9
118.03792	1.1
119.05032	10.5
120.05368	0.8
121.02996	0.3
125.01078	0.2
133.02968	0.3
135.04556	0.9
136.04832	0.2
143.03519	0.3
145.02957	100.0
146.03294	5.6
159.02934	0.2
161.02429	0.7
161.04547	1.3
163.04012	16.0
164.04358	0.7
170.17804	0.2
175.14822	0.3
179.03520	0.3
182.24072	0.2
194.01808	0.2
214.53204	0.2
215.86493	0.2
241.60399	0.2
307.08313	2.2
406.90189	0.2
439.32294	0.2
440.13486	14.4
441.13757	2.6
441.21170	0.4
446.66031	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	439.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
58.71881	1.0
59.01373	1.8
60.47087	1.1
61.98836	1.1
71.01372	1.0
73.02965	2.2
74.51701	0.9
83.05016	4.7
96.58909	1.1
133.02936	1.4
145.02966	1.4
161.02412	4.7
179.03516	1.3
231.67137	1.1
266.28958	1.0
302.11218	0.9
302.21451	1.2
321.22229	3.2
357.25888	15.4
358.26300	2.8
363.26886	2.4
371.27371	2.5
373.28986	58.5
374.29257	12.1
389.28531	4.1
391.30090	16.6
392.26639	2.2
392.31027	2.2
403.30286	1.9
405.28201	6.6
406.28586	1.6
407.29587	9.5
408.29990	2.8
421.31174	12.2
422.31851	2.0
423.29196	4.9
439.32166	100.0
440.32532	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	439.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68459	0.4
59.01379	100.0
60.01720	1.3
61.98820	0.5
69.44741	1.5
69.45169	2.0
71.01384	5.1
72.99308	18.2
73.02949	1.6
78.60374	0.4
83.01407	0.7
84.47730	0.4
85.02945	2.7
85.16048	0.4
89.02449	1.8
95.01350	0.6
97.06592	1.8
101.02444	2.8
109.02940	0.7
113.02464	2.6
117.03470	20.4
119.03547	0.8
119.05025	10.2
119.05880	0.5
121.02967	1.6
123.04552	1.3
131.03778	0.5
133.02965	0.5
134.03729	0.6
135.04517	3.7
137.02484	0.9
145.02953	73.7
146.03682	0.7
147.04561	0.8
150.03215	0.5
154.39891	0.4
158.03738	0.6
159.03044	0.7
159.04518	1.4
161.02429	2.8
161.04543	1.5
161.05960	0.8
162.06960	0.5
163.04004	14.3
172.05298	3.5
173.06017	2.5
174.06834	1.0
175.04019	0.5
175.07613	2.0
176.04785	0.5
178.02692	1.3
179.03503	0.9
181.05067	6.0
183.04523	0.7
184.78023	0.4
187.07634	25.9
188.07999	1.9
189.05577	0.6
190.06366	1.8
199.03987	1.5
200.04724	0.5
201.05504	1.5
201.09264	0.8
202.06308	3.3
202.10025	0.8
203.10803	0.9
204.04282	0.9
205.08685	1.1
210.04906	0.5
213.09129	3.3
215.07060	2.1
216.07652	0.6
219.10255	3.7
227.03467	1.6
228.04213	2.1
229.08684	0.6
231.06757	0.5
231.10260	8.1
232.10414	0.6
257.08167	8.1
258.08527	0.6
275.09302	4.9
293.10306	19.5
294.10660	2.0
307.08267	1.6
397.22165	1.9
421.27438	0.6
440.13492	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	439.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
59.01379	100.0
60.01694	1.0
61.98822	3.7
69.03439	2.7
70.27217	3.5
70.27655	1.9
71.01377	12.2
71.05013	10.4
72.99300	8.9
73.02942	6.3
73.03292	1.0
75.00861	4.0
81.00468	1.0
83.01379	3.7
83.05022	3.9
85.02946	4.4
86.00093	8.0
87.00880	1.1
87.04506	1.4
89.02442	3.3
95.01364	2.6
97.06599	1.8
98.19930	1.2
99.00889	2.0
101.02444	9.6
109.02940	3.0
111.00846	3.6
113.02451	7.8
115.07645	3.6
117.03448	7.4
119.03436	0.9
119.05016	12.1
121.02935	1.3
123.00863	2.5
125.02446	1.6
132.87894	1.0
133.02916	6.6
134.03699	3.8
135.04521	13.0
136.04836	1.6
137.09718	1.1
141.01933	2.0
143.03557	1.3
143.10779	1.8
145.02956	19.7
146.03256	1.5
149.02449	2.9
150.03253	1.1
151.04016	5.4
156.10262	3.3
158.11824	3.3
159.04504	1.1
161.02463	15.7
161.04533	2.5
162.02844	1.8
163.04039	5.2
165.12788	1.6
167.10760	1.4
177.01924	1.2
178.02745	2.5
179.03464	5.4
181.12396	1.1
185.11768	1.1
187.07648	2.6
197.15331	1.5
209.11838	2.0
227.12944	6.3
229.14316	1.5
231.10136	1.1
237.18597	1.6
239.16577	1.1
249.18578	1.5
254.09410	1.8
257.08017	1.2
257.17456	3.4
267.06561	2.4
279.19583	2.6
293.10172	3.8
299.18607	2.4
311.05463	1.2
315.49359	1.1
375.60837	1.2
379.21201	1.4
397.22137	2.5
407.17477	1.6
439.14771	1.2
439.27042	1.7
439.33057	6.5
440.30096	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	439.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.3
57.03451	4.6
58.00581	2.1
59.01380	34.8
61.98808	1.6
64.33250	0.5
69.03461	1.3
69.43716	3.9
71.01383	61.5
72.01699	0.9
72.99319	2.7
73.02948	23.6
74.03264	0.6
75.00853	1.5
79.95726	0.6
80.69988	0.5
81.03432	0.7
83.01387	11.4
85.02953	31.1
87.00874	3.7
89.01909	0.7
89.02448	14.7
93.03461	2.1
95.01387	4.4
96.95950	1.5
97.02959	2.8
99.00887	10.4
101.02444	51.0
102.02743	1.8
108.86678	0.6
109.03001	0.6
111.00885	3.8
113.02449	22.1
115.03984	1.8
119.03480	2.4
125.02428	3.7
129.01953	2.2
131.03497	1.8
133.02937	0.9
135.04503	5.0
136.04893	0.6
137.02458	2.6
138.02716	0.6
141.01926	0.7
143.03488	3.1
145.02913	1.3
145.12326	1.9
149.04501	2.1
159.02966	4.6
161.02370	1.9
161.04558	27.2
162.04950	0.8
179.03377	0.5
179.05608	0.6
191.05742	0.7
197.04414	0.8
205.03452	0.9
211.03156	0.5
215.00203	1.0
215.12912	0.5
231.98396	0.7
232.99054	0.8
233.06671	1.5
258.99210	1.1
293.08673	0.5
307.17609	100.0
308.17981	8.7
364.81357	0.7
439.03043	1.1
439.21838	45.6
440.22128	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	439.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
70.34792	1.3
74.23849	0.3
78.95909	22.6
79.95724	2.1
89.02415	0.6
96.92224	0.6
96.96024	100.0
96.96968	47.4
99.40012	0.4
104.40601	0.4
212.38046	0.4
236.93246	0.4
239.26761	0.4
292.72232	0.4
331.85229	0.4
386.52820	0.4
392.38309	0.4
439.08640	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	438.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	79.9
61.98828	100.0
64.06036	1.0
69.22222	1.0
71.01377	3.9
72.99304	2.8
73.02954	3.0
79.95728	2.6
85.02953	2.0
89.02422	1.1
93.03476	1.1
96.95991	2.2
98.19917	2.4
101.02437	2.7
109.02966	1.3
113.02460	1.3
117.03473	1.3
119.05028	2.1
133.02962	3.6
134.03694	1.5
135.04517	21.7
136.04837	4.6
145.02956	2.5
145.09996	1.1
147.04539	2.0
161.02449	12.4
161.04527	1.1
163.03967	2.4
179.03488	10.9
180.03807	4.0
197.04553	2.2
227.07112	1.2
271.93994	1.2
289.16769	1.7
403.08096	1.2
438.30710	3.1
439.15945	1.1
439.23615	4.3
439.32141	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	437.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65297	0.4
55.01882	6.7
57.03448	9.4
58.00588	2.1
59.01381	40.6
68.99813	0.7
69.03452	2.3
71.01383	100.0
71.05012	3.9
72.01720	1.7
72.02099	0.6
72.99310	2.3
73.02949	30.8
74.03279	0.6
75.00882	1.7
77.94327	0.6
79.55239	0.6
81.03456	1.7
83.01384	13.9
84.18660	0.5
85.02953	44.7
86.03287	1.2
87.00887	3.9
89.02445	22.2
95.01388	7.8
97.02964	4.4
99.00879	14.1
101.02444	62.9
102.01572	0.5
102.02764	1.5
111.00877	1.9
113.02454	37.4
114.02791	1.2
119.03484	2.2
125.02441	5.5
126.02798	0.7
129.01947	2.3
131.03505	3.8
143.03522	4.3
143.10793	6.7
144.11235	0.6
149.04555	3.9
159.02986	8.1
161.04559	53.0
162.04866	1.9
183.10167	0.6
191.05542	1.3
205.03604	0.9
207.39055	0.5
215.05632	0.5
227.12848	1.2
233.06638	1.9
293.08783	1.7
305.16049	90.5
306.16388	8.9
322.99646	0.6
343.71344	0.6
407.25381	0.5
437.20261	15.4
438.20486	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	437.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.7
57.03451	8.2
57.54417	0.5
58.00597	2.6
59.01380	43.9
60.01688	0.4
65.12188	0.5
68.99818	0.9
69.03458	2.6
71.01385	100.0
71.62779	0.5
72.01730	1.7
72.99319	2.6
73.02949	27.5
75.00874	1.9
81.03476	1.4
83.01389	13.6
84.02172	0.9
85.02953	40.2
85.06602	4.0
86.03291	0.7
87.00888	4.5
87.50763	0.5
89.02446	30.1
90.02763	0.7
93.03465	1.5
95.01392	6.7
96.78112	0.5
97.02945	4.3
99.00887	13.2
99.04519	0.6
101.02448	59.8
102.02783	1.8
111.00869	1.8
113.02454	34.7
113.06100	2.0
114.02811	0.9
119.03531	3.7
120.01254	0.5
125.02448	7.6
125.09705	0.9
126.90482	0.5
129.01955	2.7
131.03522	5.7
135.04483	0.5
137.02448	2.6
141.09235	1.2
143.03511	5.3
143.09671	0.9
143.10780	14.9
144.11115	0.5
149.04555	5.0
153.01880	0.6
159.02995	8.5
161.04561	51.5
162.04907	2.0
179.05656	0.6
191.05614	2.1
195.65793	0.5
201.11389	0.8
205.03575	1.0
227.12833	1.1
233.06757	2.4
293.08771	2.4
305.16043	66.0
306.16400	6.5
347.88477	0.5
380.30286	0.6
400.09894	0.5
437.10458	0.6
437.15247	0.8
437.20416	12.4
438.20206	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	437.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.5
61.98832	23.0
68.97174	6.7
70.33906	19.4
71.01391	13.1
72.99298	7.5
96.96098	10.1
106.22565	6.4
109.02969	52.5
115.92074	10.1
116.92863	45.0
121.02864	6.8
137.02454	20.5
165.01923	62.3
257.02060	8.8
275.05780	42.4
387.30188	7.3
437.10785	11.5
437.15945	100.0
438.16229	11.1
444.08560	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	437.158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85813	3.3
59.01381	47.1
61.98840	32.3
64.92045	3.4
71.01382	20.4
71.62253	4.8
72.99301	3.3
75.00867	3.5
85.02965	4.3
87.00880	3.2
89.02428	12.1
94.41072	2.9
94.98045	3.8
96.96010	3.5
99.92601	4.8
101.02429	9.5
113.02469	6.4
115.92049	4.4
119.03502	5.5
135.04553	5.8
146.08240	8.8
161.02426	5.0
179.05574	7.8
185.02556	3.5
239.12993	6.6
250.87929	3.5
265.64981	3.9
299.44788	3.8
401.18182	6.4
437.15802	100.0
437.21616	6.8
438.16000	16.8
444.79489	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	436.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.8
61.98832	100.0
69.49873	4.0
71.01393	0.9
72.99311	0.6
76.05238	0.4
79.06429	0.4
85.02946	0.5
88.66518	0.5
89.02466	0.6
93.03522	0.5
98.20650	0.9
107.05020	1.2
109.02974	1.1
111.00869	0.5
117.03496	1.6
119.05074	0.5
120.05436	0.5
133.03000	1.8
133.24702	0.4
134.03741	3.4
135.04533	44.6
136.04883	1.9
137.02466	0.7
143.83443	0.5
145.02956	3.4
146.03337	1.6
161.02461	3.7
161.95596	0.5
163.04018	0.6
177.01984	0.4
178.02299	0.6
179.03505	34.1
180.03857	1.6
251.07173	1.4
363.10562	0.5
373.09277	30.2
374.09619	4.3
405.15369	0.5
456.85724	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	436.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17589	0.7
56.72169	0.7
59.01387	7.5
59.17155	0.6
61.98830	100.0
67.59337	0.8
71.01385	2.2
71.10052	0.8
71.36944	0.9
72.05376	0.7
73.02946	0.7
83.17061	0.8
86.78311	0.7
89.02456	1.4
97.02959	2.0
101.02521	0.9
101.44936	0.7
113.02473	0.8
115.92069	0.7
116.92800	1.0
125.02452	12.5
147.77811	0.7
179.05661	1.0
201.99437	1.6
437.01938	3.3
437.15973	2.3
454.54971	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	435.2235
Annotation	HC Toxin
Peak:m/z	Relative Intensity
53.31178	0.4
55.01859	0.6
57.03458	0.7
59.01381	100.0
60.01717	1.9
61.98830	3.2
71.01383	8.8
71.05015	0.4
71.65270	0.7
72.99304	0.9
73.02952	2.9
83.01400	1.8
85.02944	5.4
87.00886	0.6
87.04517	30.1
88.04852	0.7
88.62160	0.4
89.02442	1.3
92.85495	0.4
93.03465	1.8
93.49884	0.4
94.13145	0.4
95.01383	0.7
97.02975	0.8
99.00883	1.1
100.73196	0.4
101.02449	6.9
105.29981	0.5
108.02181	1.7
109.02971	1.4
111.00890	0.4
113.02438	4.0
123.04530	0.6
125.02460	0.5
133.02933	0.5
135.04527	1.8
137.02451	2.3
145.02965	1.0
152.01126	1.6
153.01950	0.8
159.02930	0.4
161.02444	1.3
161.04550	1.7
161.22198	0.4
167.03500	1.3
179.03477	0.8
198.61113	0.4
205.05070	0.7
206.05426	0.7
216.99913	0.4
273.07678	1.8
297.06299	0.5
305.16046	0.8
313.06686	0.4
331.21295	0.5
333.19238	2.4
372.08063	0.6
375.20096	1.2
393.20853	2.0
417.21201	3.2
418.21497	0.6
435.09854	2.5
435.22336	53.4
436.22723	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	435.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.0
61.87185	0.3
61.98830	1.3
68.99816	1.4
71.01375	3.2
71.64616	0.5
72.99305	0.5
73.02946	1.0
83.01419	0.4
85.02957	0.8
87.42073	0.3
89.02443	1.6
93.03455	1.2
100.17931	0.3
101.02446	1.8
104.19866	0.3
108.02187	0.8
109.02995	0.8
110.59770	0.3
113.02438	0.7
115.05586	0.9
117.03464	29.7
118.03823	1.4
119.03558	0.6
119.05022	10.9
120.05339	0.4
121.02988	0.6
133.02966	0.4
135.04527	1.6
137.02431	2.1
143.03856	0.5
143.05019	11.4
144.05350	0.4
145.02950	100.0
146.03288	5.7
152.01149	1.1
153.01926	0.9
161.02492	1.6
161.04567	0.3
161.06061	0.4
163.04018	8.8
174.67123	0.3
178.70030	0.3
179.03503	1.3
187.04004	21.0
188.04332	1.0
263.27344	0.3
267.06677	0.4
315.07147	0.5
331.95108	0.3
375.14471	2.7
376.14709	0.4
393.15439	1.5
435.09915	1.3
435.16534	30.9
436.11069	0.6
436.16852	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	435.1658
Annotation	Piptocarphin B
Peak:m/z	Relative Intensity
59.01377	20.0
61.87185	0.3
61.98830	1.3
68.99816	1.4
71.01375	3.2
71.64616	0.5
72.99305	0.5
73.02946	1.0
83.01419	0.4
85.02957	0.8
87.42073	0.3
89.02443	1.6
93.03455	1.2
100.17931	0.3
101.02446	1.8
104.19866	0.3
108.02187	0.8
109.02995	0.8
110.59770	0.3
113.02438	0.7
115.05586	0.9
117.03464	29.7
118.03823	1.4
119.03558	0.6
119.05022	10.9
120.05339	0.4
121.02988	0.6
133.02966	0.4
135.04527	1.6
137.02431	2.1
143.03856	0.5
143.05019	11.4
144.05350	0.4
145.02950	100.0
146.03288	5.7
152.01149	1.1
153.01926	0.9
161.02492	1.6
161.04567	0.3
161.06061	0.4
163.04018	8.8
174.67123	0.3
178.70030	0.3
179.03503	1.3
187.04004	21.0
188.04332	1.0
263.27344	0.3
267.06677	0.4
315.07147	0.5
331.95108	0.3
375.14471	2.7
376.14709	0.4
393.15439	1.5
435.09915	1.3
435.16534	30.9
436.11069	0.6
436.16852	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	435.1296
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
55.01876	1.2
56.02534	0.4
57.03426	0.6
58.00594	0.5
59.01379	8.2
61.98829	3.5
68.99847	0.6
69.43996	3.4
71.01381	10.1
72.99316	0.9
73.02941	2.0
80.14584	0.4
83.01375	2.3
85.02959	4.1
87.00894	0.4
89.02437	1.4
93.03461	24.0
94.03810	0.7
95.01395	1.5
95.05024	1.0
97.02962	0.5
99.00896	1.1
101.02439	7.8
101.03078	0.7
106.52029	0.4
108.01485	0.4
108.02169	2.1
109.02952	0.8
113.02459	4.1
115.92084	0.5
116.92876	1.7
119.05050	0.4
121.02963	2.1
122.03749	1.3
123.04530	90.7
124.04861	4.4
135.04500	2.2
136.01680	1.3
137.02449	49.7
138.02776	2.6
147.04471	0.5
149.02466	0.6
151.04007	1.3
152.01138	0.8
153.05576	69.8
154.05931	2.9
156.44633	0.4
161.02422	0.8
161.04538	0.7
162.02853	0.5
163.04010	1.0
179.03554	0.6
209.02771	0.7
210.03096	0.7
210.44897	0.3
211.02365	1.8
247.25464	0.4
255.01312	1.0
255.15953	0.9
281.06668	100.0
282.06989	8.0
289.44751	0.4
315.10864	0.6
435.13559	4.7
435.22098	3.5
436.13608	1.0
436.22818	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	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
65.03961	4.2
67.01897	1.7
69.39748	2.9
69.40073	0.4
71.01405	0.7
72.99283	0.4
83.08774	0.3
85.02937	0.6
90.97665	0.4
91.01903	1.1
93.03458	47.9
94.03815	2.0
109.02953	30.1
110.03295	1.1
117.03465	1.7
118.69048	0.3
122.37549	0.4
124.56876	0.4
133.03012	0.7
135.00887	9.3
135.04503	1.0
137.02444	77.1
138.02802	3.8
142.79510	0.3
145.02963	4.6
147.04619	0.4
152.01137	0.5
153.01935	100.0
154.02290	4.5
161.02425	1.2
163.03928	0.5
177.01944	1.5
198.55740	0.4
281.06641	0.7
297.06268	0.8
369.25848	1.3
435.09311	10.3
435.16452	1.1
435.28842	1.3
436.09558	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	435.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.53707	0.4
57.03461	0.5
59.01382	58.5
60.01714	1.2
61.98831	1.2
64.06423	0.4
65.03962	6.3
67.01890	2.9
69.33953	4.2
71.01386	8.0
72.48076	0.4
72.99307	0.5
73.02954	1.8
83.01399	1.8
85.02958	3.1
89.02441	1.7
91.01914	1.1
93.03462	17.8
95.01405	1.0
101.02437	5.0
108.02188	1.4
109.02956	66.7
110.03247	2.6
113.02422	2.3
115.04073	0.8
117.03526	0.5
119.04981	0.6
121.03000	1.1
123.04554	0.5
135.00891	9.9
135.04503	1.8
136.01689	0.8
137.02448	34.6
138.02789	1.4
145.02950	0.4
147.04544	0.5
148.05302	1.7
151.04045	0.6
152.01190	1.0
153.01938	100.0
154.02284	4.5
161.02448	1.5
161.88330	0.4
163.07619	1.0
165.01939	1.8
173.08154	0.5
179.03470	1.3
180.04359	0.7
180.84462	0.4
195.06604	1.4
225.07657	1.0
255.15903	1.0
281.06674	26.8
282.06958	2.1
315.07211	1.0
333.19598	0.5
358.30334	0.4
375.20047	0.7
387.14645	0.6
391.10287	3.2
412.64142	0.4
435.09308	19.5
435.22336	5.6
436.09637	2.4
436.22617	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	435.0931
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
55.01866	0.7
57.03448	0.6
59.01363	1.7
68.16721	0.6
69.03461	0.7
71.01377	5.6
71.04447	1.2
73.02934	1.6
81.03445	1.5
83.01389	1.7
85.02943	3.4
92.99281	0.7
93.03458	17.4
94.03709	0.6
95.01391	2.7
96.99299	0.9
99.00873	1.0
101.02442	4.5
103.06541	0.6
107.04964	0.6
108.02177	75.0
109.02977	37.5
109.44938	0.5
110.03297	1.1
112.98661	0.6
113.02449	2.3
121.02946	1.3
123.00887	1.3
123.04571	1.0
136.01701	1.1
137.02443	22.2
138.02713	1.0
143.16435	0.7
151.03993	0.9
152.01158	77.6
153.01949	25.2
154.02248	1.0
161.95374	0.6
163.04001	0.8
165.01929	0.8
281.06702	7.4
315.07217	10.7
316.07535	1.5
365.53003	0.7
391.10532	2.2
405.25748	0.7
435.09308	100.0
436.09641	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	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87038	0.4
57.39782	0.3
59.01374	2.0
61.98819	0.4
65.03967	0.7
65.07949	0.3
65.81075	0.3
66.34058	0.3
69.03444	0.4
69.90068	0.9
69.90481	0.8
71.01041	0.3
71.01369	2.1
72.99316	0.4
73.02962	0.8
81.03457	1.1
85.02949	2.2
93.03460	70.4
94.03777	2.5
95.01392	1.5
95.40609	0.3
101.02473	0.7
107.01369	0.4
108.02178	72.9
109.02979	28.1
109.03769	0.5
110.03287	1.1
113.02431	0.6
121.02929	1.1
123.00888	0.7
123.04562	0.5
131.81133	0.4
133.03030	0.4
135.00925	0.7
135.04552	0.7
137.02448	100.0
138.02805	3.7
151.03992	1.4
152.01155	89.5
153.01949	35.3
154.02272	1.7
161.02432	1.1
163.04025	1.7
165.01961	0.9
170.35136	0.4
179.03540	0.6
195.02986	1.2
207.02936	0.5
234.17702	0.3
236.93697	0.3
297.06149	20.3
298.06558	1.6
315.07217	18.6
316.07443	1.7
323.25439	0.3
435.09320	90.5
436.09659	13.2
441.40750	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	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19569	0.4
59.01090	0.7
59.01381	13.6
61.98820	1.7
65.03969	0.7
69.38371	3.1
71.01384	2.9
73.02936	0.5
74.58407	0.4
81.03480	0.8
83.01382	0.4
85.02940	1.3
87.04528	4.5
88.98805	0.6
89.02456	1.0
93.03459	38.6
94.03793	1.4
101.02447	1.6
108.02150	4.0
109.02952	86.9
110.03293	2.8
113.02407	0.7
119.03570	0.5
125.02460	0.9
135.04539	1.5
137.02446	75.0
138.02786	3.4
142.06923	0.5
145.02991	0.7
152.01144	1.6
153.01938	100.0
154.02264	4.4
161.02458	1.1
168.00667	0.6
168.43828	0.4
231.16141	0.8
241.06755	0.4
294.62881	0.4
297.06158	11.9
298.06442	1.3
315.07294	1.1
374.72083	0.4
375.24158	0.6
393.21088	0.7
435.09384	5.5
435.14737	0.5
435.16043	0.6
435.22311	9.2
436.09537	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	434.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17535	0.7
51.65209	0.6
59.01382	10.1
61.98833	100.0
66.17693	0.6
69.29173	5.5
71.01395	2.0
72.99313	0.8
80.40858	0.6
89.02448	1.7
93.03492	0.8
99.04543	1.3
101.02467	1.3
109.02961	12.5
113.02457	0.8
117.03464	0.7
119.05149	0.6
121.03025	1.1
135.00868	0.8
135.04614	1.1
145.02962	19.5
145.04092	1.1
146.03754	17.4
146.04840	1.1
147.04535	2.7
153.01973	1.5
159.04572	2.2
161.02473	3.8
163.04056	2.2
173.02455	10.9
174.02942	1.2
175.04001	1.1
177.05638	2.4
187.04036	1.0
188.04790	0.9
190.02745	11.1
191.03322	1.1
202.02774	0.9
203.03578	1.4
204.04361	2.9
205.05066	69.0
206.05431	5.3
207.13962	0.9
209.14584	1.0
210.46332	0.7
217.05046	10.8
229.01372	2.9
249.05653	1.2
251.12971	1.7
252.13255	1.8
253.13507	2.2
254.13837	1.5
261.04080	3.4
267.06638	4.5
268.07315	1.1
277.05167	2.3
278.05646	0.7
295.06131	7.4
327.08722	20.3
328.09286	2.6
339.05096	5.0
348.55130	0.7
367.06110	0.7
371.07727	31.7
372.08002	4.3
434.20215	1.4
435.19211	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	433.2595
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01376	2.4
61.27039	0.6
61.98817	0.8
71.63074	1.0
75.17010	0.6
78.95887	1.3
117.02645	0.8
117.03472	15.2
119.05035	24.9
120.05322	1.1
121.02950	1.4
139.84488	0.5
145.02960	100.0
146.03273	5.8
152.99586	1.8
163.04013	16.8
164.04364	1.1
176.10587	0.6
197.27609	0.7
233.29594	0.5
254.12163	0.6
269.21246	2.1
287.22253	6.4
289.05246	0.6
318.75391	0.6
383.81058	0.7
433.25986	36.4
434.26306	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	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01725	1.1
61.98808	0.7
63.94738	0.6
71.01373	4.7
73.02951	1.2
83.01414	0.8
85.02971	2.4
89.02459	0.9
99.00877	0.7
101.02435	3.9
113.02464	1.9
141.84615	0.7
142.21425	0.6
161.02467	0.9
161.04573	3.9
174.84737	0.6
229.77359	0.6
356.50504	0.6
373.22437	7.4
374.22849	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	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07010	0.5
57.57717	0.5
59.01384	100.0
60.01717	1.9
61.98851	0.6
71.01391	4.4
71.79234	0.4
73.02960	1.5
78.62357	0.5
79.69090	0.4
83.01388	0.9
85.02973	1.4
87.00928	0.6
89.02457	1.8
89.15196	0.4
92.61106	0.4
98.19859	1.4
99.00941	0.8
101.02444	3.1
113.02477	2.0
115.39635	0.5
119.03527	0.7
145.03009	0.7
157.82877	0.5
159.03221	0.5
161.02510	0.6
161.04570	2.6
179.03433	0.5
179.05597	0.7
191.67087	0.5
209.02815	0.6
373.22281	4.3
374.23004	0.9
433.24854	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40915	0.5
54.90115	0.5
56.48213	0.5
59.01382	100.0
60.01720	1.5
62.85960	0.4
62.89940	0.4
64.54153	0.4
71.01392	4.1
73.02958	1.4
74.78810	0.4
85.02943	2.3
89.02458	0.7
99.00904	0.7
101.02439	4.7
103.00481	0.5
113.02475	1.8
157.81700	0.5
159.03088	0.6
161.04584	3.5
184.39352	0.5
213.29440	0.4
229.47008	0.5
323.81091	0.4
344.66559	0.5
373.01047	0.6
373.22336	7.0
374.22812	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	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07010	0.5
57.57717	0.5
59.01384	100.0
60.01717	1.9
61.98851	0.6
71.01391	4.4
71.79234	0.4
73.02960	1.5
78.62357	0.5
79.69090	0.4
83.01388	0.9
85.02973	1.4
87.00928	0.6
89.02457	1.8
89.15196	0.4
92.61106	0.4
98.19859	1.4
99.00941	0.8
101.02444	3.1
113.02477	2.0
115.39635	0.5
119.03527	0.7
145.03009	0.7
157.82877	0.5
159.03221	0.5
161.02510	0.6
161.04570	2.6
179.03433	0.5
179.05597	0.7
191.67087	0.5
209.02815	0.6
373.22281	4.3
374.23004	0.9
433.24854	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13475	0.7
57.03497	1.3
58.00639	1.1
59.01109	3.0
59.01434	48.1
60.01754	1.3
61.01823	1.3
61.98834	4.6
68.23769	0.6
70.01492	0.6
70.01775	3.1
71.01384	16.4
71.24001	0.5
72.99317	6.3
73.02941	3.2
74.08157	0.6
78.00253	0.6
83.01444	1.7
83.05110	0.8
85.02956	5.7
87.00912	1.3
87.04556	0.8
89.02452	11.7
93.03520	2.0
95.01440	1.4
97.06648	1.2
99.00928	1.2
99.04549	0.7
101.02445	10.6
108.02255	2.5
109.03013	2.7
111.00941	0.8
111.08223	1.8
113.02446	6.1
115.04077	2.0
117.03506	0.9
119.03514	5.4
121.03038	0.7
123.04603	2.4
125.02518	2.0
133.03026	2.0
134.03778	2.2
135.04526	48.8
136.04871	2.2
137.02452	3.3
139.00345	0.9
140.77629	0.5
141.05585	3.8
143.03496	0.9
143.07114	0.8
145.03003	1.5
147.04529	5.1
149.02534	1.1
149.04628	0.7
151.04051	1.9
152.01183	1.9
153.01985	2.8
158.03712	0.7
159.04596	1.2
160.01683	1.1
161.01103	0.8
161.01389	0.4
161.02457	21.4
161.04610	2.4
162.02979	1.8
163.04013	22.6
164.04376	0.8
173.02391	1.3
174.03180	1.6
175.04004	17.1
175.05478	1.3
176.04597	1.1
179.03517	3.0
179.05658	1.1
181.03261	1.1
183.10318	0.9
190.99162	0.6
191.01768	10.0
191.03540	0.9
191.14464	1.6
192.02139	0.7
192.99641	2.2
194.00494	0.6
197.04582	2.8
201.01927	1.5
209.02769	100.0
210.03076	6.3
216.99597	1.1
235.00716	11.2
235.13333	0.8
236.00798	0.8
240.48203	0.7
253.01755	43.1
253.14415	10.2
254.02173	2.9
254.14801	0.9
267.07010	0.6
269.04648	3.0
270.04785	2.8
271.05060	6.6
271.15619	0.9
271.19180	1.2
326.91562	0.6
391.18942	0.6
433.05579	25.1
433.10510	4.2
433.20358	24.1
433.25281	1.1
434.05847	3.5
434.11096	0.8
434.20837	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01725	1.3
69.99100	1.3
71.01389	1.8
71.66499	0.5
73.02956	0.6
76.48449	0.5
81.70762	0.4
85.02959	1.0
89.02437	1.2
95.85524	0.5
98.20670	0.6
101.02469	1.7
108.02179	0.5
109.02950	1.3
113.02441	1.3
115.86913	0.5
119.03562	0.5
135.04564	1.5
137.02452	0.7
152.01176	0.6
153.01949	2.6
161.02438	0.7
209.02707	2.5
253.01849	1.3
331.17648	0.6
373.18680	0.6
433.07196	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	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43240	0.7
55.01882	10.8
55.28480	0.8
57.03447	1.7
57.32286	0.7
58.00621	1.9
59.01379	43.4
61.98842	0.9
69.65363	2.6
69.65774	2.6
71.01385	34.0
72.01721	1.0
72.57155	0.8
72.99322	4.1
73.02948	1.5
74.71217	0.8
83.01382	14.6
85.02955	5.9
87.00884	3.0
89.02447	36.0
90.02803	1.1
95.01410	0.8
98.20620	1.0
99.00861	2.0
101.02437	3.7
109.56119	0.9
111.00883	60.6
112.01239	1.9
113.02447	7.0
119.03548	1.2
127.00352	2.4
128.01291	0.8
129.01927	1.0
131.03505	5.2
138.01930	2.4
139.00377	100.0
140.00728	3.8
141.01927	2.2
149.04550	10.4
157.01405	4.6
199.02515	1.2
224.04938	0.9
248.35251	0.9
254.12003	1.0
283.11899	2.2
289.05661	28.4
290.06079	2.5
306.05753	0.9
433.17084	26.7
434.17392	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	433.1351
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
52.42132	0.2
53.75830	0.2
59.01376	4.7
59.88623	0.2
67.01878	0.3
69.03455	0.5
69.52296	1.4
71.01385	5.2
72.99314	0.5
73.02942	0.7
75.00898	0.3
81.03479	0.4
83.01388	0.3
85.02953	0.6
89.02444	7.0
90.02754	0.4
93.03458	7.4
94.03787	0.5
95.01424	0.2
97.02936	0.9
98.20561	0.5
99.00871	1.2
101.02419	1.3
113.02461	0.7
115.03990	0.6
121.02955	7.9
122.03281	0.4
124.01640	1.7
125.02453	4.3
131.03531	1.1
137.02480	1.3
139.04012	100.0
140.04347	4.3
143.03410	0.4
149.04533	1.5
161.04514	0.3
165.01942	0.5
169.54158	0.2
191.05638	0.8
196.12590	0.3
233.06657	2.7
261.41693	0.2
293.08777	4.9
409.11331	0.2
433.13522	3.8
434.14072	0.6
459.53784	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	431.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30670	1.1
59.01379	100.0
60.01704	3.6
61.98822	2.6
71.77052	1.1
75.90400	1.3
76.71960	1.3
78.95913	14.4
89.32658	1.2
96.96929	1.4
117.03517	1.4
119.05022	3.4
145.02965	10.8
152.99594	18.3
154.30504	1.2
161.26440	1.2
163.03951	2.6
263.20135	1.5
268.03680	1.2
273.89612	1.3
320.33005	1.2
337.62692	1.5
396.65186	1.3
417.86606	1.2
431.23941	4.2
431.31845	3.4
432.24701	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	433.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.4
61.51799	0.3
61.98832	0.7
65.03954	0.5
69.03454	0.5
71.01382	1.5
73.02952	0.6
81.03468	1.9
83.01368	0.4
85.02947	2.7
88.78022	0.4
89.02432	1.1
93.03459	51.4
94.03816	1.7
95.01423	2.0
99.00854	0.8
101.02460	1.1
108.02177	21.1
109.02958	37.4
109.64270	0.4
110.03282	1.2
111.00851	0.7
113.02453	2.4
119.03520	0.6
121.03000	0.6
123.00856	1.1
123.04490	0.4
135.00888	0.4
135.04524	1.1
137.02444	87.4
138.02777	3.7
141.01964	1.2
151.00333	0.5
152.01163	7.0
153.01935	100.0
154.02289	3.8
159.03012	0.5
161.02460	1.1
161.04578	0.8
165.01939	1.4
179.03391	0.5
181.01398	0.6
190.80099	0.4
195.02956	1.6
279.05252	0.4
295.04562	11.1
296.04797	0.6
370.18130	0.4
373.22385	1.5
430.89676	0.4
433.07590	2.0
433.20102	0.6
433.25201	0.6
434.08472	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	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01719	1.3
60.98799	0.4
61.98835	7.2
71.01385	6.1
73.02940	2.5
83.01419	0.8
84.54315	0.4
85.02972	1.8
87.00906	0.8
89.02447	5.3
98.20619	1.3
101.02442	4.5
105.07150	0.4
108.85969	0.5
113.02447	2.5
117.03461	3.2
119.03500	3.3
119.05040	1.4
123.04527	3.5
135.04538	0.7
137.06047	0.5
143.03500	0.5
145.02957	11.4
146.03296	0.7
150.69600	0.4
161.04601	2.0
163.04053	1.3
163.36038	0.5
179.05658	1.4
183.10231	0.5
188.69017	0.5
240.44020	0.5
307.08209	2.2
371.20966	0.5
431.14236	2.3
431.19238	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	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.3
57.03465	0.6
59.01382	100.0
60.01720	1.1
61.98822	0.9
63.02390	0.6
65.00328	0.3
69.03472	0.4
69.53853	2.2
71.01383	7.0
71.01759	0.5
72.99311	1.0
73.02948	1.9
82.95573	0.3
83.01379	0.9
84.71058	0.3
85.02943	2.3
87.00884	0.6
89.02448	4.4
93.03458	0.4
95.01440	0.5
95.86470	0.3
99.00914	0.5
101.02446	4.3
107.01371	0.4
111.00912	0.3
113.02459	3.3
117.03467	2.5
119.03532	1.5
119.05072	0.5
123.04533	0.6
125.02496	0.4
131.41653	0.3
133.03004	0.4
135.04498	2.0
137.02451	0.4
145.02959	4.5
149.02467	0.7
151.00446	0.8
159.03061	0.7
159.04512	0.6
161.02469	2.6
161.04553	3.3
163.04022	0.3
169.06590	0.4
179.03583	0.5
179.05659	0.9
183.04562	0.6
192.03117	0.8
224.05661	0.7
225.05699	0.8
269.04544	17.1
270.04987	1.6
271.15649	1.6
283.06241	0.5
307.08286	0.5
311.05710	0.7
332.09952	0.3
338.82574	0.3
371.20892	0.6
431.09509	7.3
431.23334	0.7
431.31406	0.9
432.10379	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	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03440	0.6
59.01382	100.0
60.01713	1.3
69.68217	0.3
70.93240	0.6
71.01387	6.1
71.05012	0.5
72.99316	0.3
73.02948	1.4
78.43871	0.2
83.01390	0.9
85.02950	2.5
89.02438	1.9
90.69386	0.2
92.07259	0.2
93.03465	0.7
93.37770	0.3
95.01384	0.5
97.02960	0.3
99.00896	0.7
100.06697	0.3
101.02451	4.0
108.01994	0.3
113.02451	3.6
117.03458	0.4
119.03530	0.8
125.02413	0.4
135.04552	0.9
137.02481	1.0
147.11870	0.4
159.03055	0.3
161.02542	0.6
161.04584	1.7
166.02777	1.1
167.03545	0.3
188.72845	0.2
227.16794	0.4
267.07205	0.5
281.04816	0.2
283.06122	1.8
311.05591	3.4
341.06784	0.6
371.09839	0.7
371.20721	2.7
372.21088	0.4
389.21823	4.4
389.26608	0.4
390.22192	0.4
431.04660	0.4
431.09598	1.7
431.23169	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03453	0.9
58.00588	0.8
59.01382	100.0
60.01717	1.9
61.01791	0.3
61.98832	0.6
69.03448	0.5
69.64871	1.8
71.01386	10.8
71.05009	0.3
72.01731	0.4
72.99332	0.9
73.02950	6.9
75.00847	0.3
83.01385	2.3
85.02959	4.2
85.03444	0.4
87.00883	0.8
87.77608	0.3
89.02446	5.5
93.03465	1.1
95.01405	1.0
97.02964	0.4
99.00897	0.7
101.02449	8.0
101.03066	0.5
103.04029	0.3
105.01945	1.1
113.02452	6.3
119.03519	1.5
121.02968	3.0
123.04523	8.9
125.02437	0.4
128.82811	0.3
132.04558	0.6
135.04517	1.3
137.02463	1.7
142.21089	0.3
143.03491	0.6
149.02489	0.4
150.05611	0.7
159.03043	0.4
161.02446	1.1
161.04567	2.0
165.12923	0.4
166.02744	0.8
179.03334	0.3
209.11967	0.5
209.15530	0.4
227.16589	0.5
268.03726	0.3
269.04535	0.4
271.15601	0.3
337.71960	0.3
339.09912	0.4
353.11237	0.4
371.12814	1.0
371.20728	4.3
372.21262	0.8
386.17529	0.3
389.21906	6.1
390.22244	0.6
431.19141	2.5
431.31833	0.4
432.19888	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07085	0.4
57.03449	1.4
58.00597	1.1
59.01382	100.0
60.01728	1.9
62.81554	0.4
69.03465	1.2
71.01384	30.5
72.01734	0.4
72.99310	1.1
73.02949	37.0
74.03305	0.9
75.00876	0.6
81.03465	0.7
83.01391	9.8
83.01859	0.6
85.02953	5.7
85.03439	0.5
87.00904	1.6
89.02441	9.8
95.01395	2.0
95.83861	0.3
97.02985	0.8
99.00897	1.3
101.02445	31.7
102.02783	1.1
111.08151	2.0
113.02448	13.6
113.03224	0.8
115.04037	0.8
119.03519	3.7
125.02470	1.3
131.03519	2.5
135.04561	1.5
143.03516	3.0
149.04572	3.7
150.03296	0.4
150.09242	0.4
150.98494	0.4
153.09215	11.2
154.09587	0.4
155.03499	1.1
155.10818	0.6
161.02449	1.4
161.04564	7.4
179.03639	0.5
179.05635	1.1
184.30264	0.5
185.11812	2.3
191.14427	0.7
203.05608	0.7
209.15462	10.2
210.15845	1.0
221.06744	1.0
227.16669	1.5
268.03793	1.4
269.04504	0.6
339.26178	0.4
371.20538	2.7
372.21210	0.5
389.21826	2.6
393.31915	0.5
431.09998	1.7
431.22961	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	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03443	1.1
59.01379	100.0
60.01725	1.6
65.80119	0.5
69.51089	4.4
70.93394	0.6
71.01386	17.7
72.99316	1.6
73.02942	6.3
79.15782	0.5
83.01398	3.5
85.02945	7.7
87.00912	0.9
87.04542	1.4
89.02451	8.2
95.01382	1.6
98.20592	0.9
99.00883	2.0
99.04521	0.5
101.02444	15.2
113.02457	7.4
113.03158	1.0
119.03481	3.1
129.01956	0.7
131.67999	0.5
135.04497	0.9
137.02472	0.6
143.03477	1.5
156.47264	0.6
159.02907	1.0
161.02475	1.2
161.04567	5.7
176.84457	0.6
179.03552	0.6
179.05685	1.4
209.11835	0.6
209.15367	0.7
251.12772	1.4
268.03738	1.7
269.04456	0.8
269.13916	2.5
371.16745	1.0
371.20755	6.6
372.20929	0.7
389.21643	1.0
429.50055	0.6
431.09494	2.5
431.22830	32.3
432.22940	4.4
446.22217	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.75824	0.7
57.03442	1.1
59.01382	100.0
60.01727	1.7
61.98835	1.0
64.51743	0.7
69.03462	0.8
69.16805	0.6
71.01385	20.3
71.42149	1.7
72.99323	1.6
73.02950	17.0
81.44360	0.9
83.01387	6.4
85.02967	4.7
87.00908	2.0
89.02448	5.8
93.03468	2.0
95.01443	1.1
99.00910	1.5
99.04551	1.1
101.02446	16.9
107.05054	1.5
111.08186	1.1
113.02452	9.6
119.03497	1.7
129.71465	0.7
131.03522	1.1
133.03023	0.7
135.04573	3.6
137.02472	3.0
143.03566	1.3
149.04619	1.6
153.09225	5.8
155.03590	0.8
161.02478	3.4
161.04533	5.0
177.01964	0.7
178.51042	0.7
179.03549	1.4
192.07484	0.7
193.50040	0.7
195.01250	1.2
197.04530	0.9
203.74918	0.7
209.15471	5.0
224.10103	0.9
225.05965	2.2
239.03665	1.0
268.03738	10.4
269.04456	3.8
269.14072	4.1
270.04733	0.8
311.15118	1.1
371.20868	3.3
389.21686	1.1
431.09766	7.4
431.23245	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	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03447	1.2
58.00596	2.2
58.31723	0.3
59.01381	68.4
59.98523	0.9
60.01729	0.7
61.98843	0.4
69.03486	0.4
69.52062	2.3
71.01384	28.9
72.01737	0.6
72.99321	1.3
73.02951	3.1
75.00850	0.5
83.01393	1.9
85.02953	7.8
85.03444	0.6
87.00875	1.6
89.02447	21.4
90.02802	0.5
95.01406	1.9
98.03740	0.5
98.20605	0.5
99.00897	1.1
99.04521	29.0
100.04856	1.1
101.02442	13.6
101.06107	0.6
102.02797	0.3
105.46490	0.3
109.02973	0.3
111.04520	1.1
113.02451	10.4
114.02777	0.3
119.03496	8.1
120.03840	0.3
121.06577	0.5
125.02420	0.6
131.03520	0.3
135.08205	0.4
137.02475	0.3
137.09764	0.3
143.03474	1.3
149.04544	0.5
155.76730	0.3
159.03058	0.4
161.02448	0.6
161.04562	4.3
163.14960	0.3
165.12866	1.2
171.11761	0.4
179.05597	1.7
189.12836	5.2
190.13194	0.5
203.05595	0.6
207.13895	31.9
208.14259	2.6
209.11810	0.9
209.15565	0.3
227.16476	0.8
233.11855	0.8
251.12869	100.0
252.13232	8.2
268.03799	0.6
269.04517	0.6
269.13959	1.2
269.55383	0.4
371.20773	2.7
389.21786	1.8
390.22119	0.5
431.19113	30.0
432.19443	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	431.2201
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
59.01370	1.5
66.55125	0.4
71.40208	0.8
78.95905	54.7
96.96965	6.6
103.00398	0.4
150.98032	1.5
152.99586	100.0
153.99913	1.8
171.00638	4.5
194.14101	0.4
277.21838	0.7
283.62466	0.4
376.59189	0.4
431.21973	4.7
432.22272	0.7
450.78531	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	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.9
59.01379	55.7
61.98803	1.0
69.03450	1.7
71.01383	11.0
72.63721	0.6
72.99307	1.4
73.02947	14.4
74.03255	0.6
75.00867	1.0
83.01389	13.0
85.02959	2.6
87.00915	1.1
89.02446	2.6
95.01382	1.0
96.35213	0.7
97.06591	2.0
97.89137	0.6
99.04520	16.4
101.02440	8.9
109.02967	0.7
109.06580	1.4
113.02453	6.3
119.03527	1.2
131.03452	1.0
135.04510	1.5
146.03751	4.3
151.11299	0.7
161.02448	1.6
161.04541	2.5
161.06071	1.9
163.07661	0.9
164.04790	3.3
165.12856	2.9
179.05652	1.2
179.07083	5.9
184.29153	0.6
189.12845	3.1
201.12383	0.7
205.05046	0.8
207.13892	9.8
208.14139	0.9
209.11823	34.2
210.12129	2.1
220.07561	1.0
225.14909	6.1
231.13904	0.9
251.12912	6.0
267.16077	1.1
269.13934	100.0
270.14255	8.6
275.12827	3.7
293.13873	0.7
311.14944	7.7
341.10712	0.8
341.16074	2.8
353.23087	0.7
371.17242	6.6
372.17325	1.1
431.19135	16.2
432.19434	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	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03446	1.0
58.00589	1.4
59.01382	51.1
59.98524	0.9
60.01706	0.7
68.34315	0.4
69.42068	3.0
69.42474	0.8
71.01383	22.5
72.99321	2.0
73.02953	1.7
83.01390	1.6
83.17907	0.4
83.80923	0.4
85.02958	5.1
87.00888	1.2
89.02444	19.2
90.02753	0.5
95.01395	1.5
98.03725	0.6
98.19868	0.6
99.00905	0.5
99.04522	29.5
100.04894	0.7
101.02442	11.1
104.68745	0.4
111.04530	0.9
113.02457	8.1
119.03500	7.2
131.03528	0.8
143.03506	1.2
149.04437	0.5
161.04579	2.6
163.14920	0.4
165.12814	0.7
166.79568	0.4
171.11838	0.6
179.05656	1.4
183.69327	0.4
189.12843	6.0
190.13179	0.9
206.26036	0.4
207.13898	29.9
208.14268	2.4
227.16519	0.4
233.11844	0.7
251.12877	100.0
252.13248	9.5
269.13879	1.4
366.35410	0.4
371.20840	0.5
389.21844	1.4
431.19177	30.8
432.19516	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	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18501	0.5
59.01382	100.0
60.01718	1.7
61.98844	1.2
71.01365	0.5
71.14754	0.9
71.15080	0.7
93.03497	0.9
113.02465	0.6
117.50564	0.6
137.02435	1.2
151.04100	0.7
161.02403	3.2
176.04813	2.4
179.03506	5.4
191.07098	0.7
194.05827	6.1
209.08188	17.9
210.08560	1.9
239.09270	1.0
247.61647	0.6
431.11938	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	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10625	1.5
54.86378	1.4
55.89241	1.4
57.03437	2.2
59.01379	79.7
61.98825	1.7
66.97153	1.5
69.64146	6.8
69.64550	3.5
71.01383	17.9
71.51287	1.4
72.99294	4.6
73.02951	21.6
75.00871	41.7
83.01377	2.5
83.05009	1.8
85.02973	10.0
87.00876	2.7
89.02438	14.7
93.02924	2.2
93.03459	29.2
94.03768	2.3
95.01408	3.2
96.20959	1.6
97.33389	1.7
99.00883	1.9
101.02449	17.7
103.04010	9.1
108.02164	2.6
109.02944	3.7
109.06576	1.9
110.12625	1.5
113.02471	10.3
116.26626	1.4
119.03468	4.6
123.04533	61.4
124.04887	2.0
125.02439	2.9
131.03496	3.1
134.12929	1.3
135.04517	4.1
135.08125	1.7
136.01671	13.2
137.02458	80.4
138.01907	2.3
138.02870	2.9
139.00397	2.2
141.05537	1.5
143.03514	1.7
149.02435	3.7
151.04027	8.7
151.29027	1.5
153.05669	1.4
154.30464	1.7
159.02765	1.6
161.02419	2.6
161.04507	4.8
177.09259	1.8
179.03502	45.3
180.03920	3.5
195.06564	1.9
195.10245	9.0
195.38098	1.5
207.09978	1.8
209.04506	6.5
239.05623	27.1
239.09239	31.3
240.09605	4.1
299.07626	2.4
311.09821	25.4
312.10223	2.5
338.26407	1.6
341.12350	3.3
355.10327	15.9
431.11835	100.0
432.12271	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	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48002	0.2
55.33038	0.1
59.01377	1.2
61.98819	0.4
65.26494	0.1
66.59418	0.2
67.03712	0.1
68.16938	0.1
70.03096	0.3
70.03512	0.5
71.01389	0.3
72.53824	0.1
81.03467	0.3
85.73036	0.1
88.98804	0.7
89.02468	0.2
93.03468	0.6
98.19823	0.2
108.02171	0.7
109.02929	0.8
111.30478	0.2
111.90837	0.2
120.01280	0.2
129.06477	0.2
135.04478	0.2
136.01671	1.6
137.02446	100.0
138.02789	4.8
148.79332	0.1
149.06088	1.0
153.01866	0.2
179.03503	0.2
183.04878	0.4
228.07535	0.2
267.95300	0.2
431.11905	1.5
432.13162	0.5
442.05072	0.2
447.66626	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	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32298	0.3
54.83416	0.3
58.87322	0.3
59.01385	1.8
61.29993	0.2
64.32359	0.3
70.14117	1.1
70.14473	0.3
71.01391	2.9
88.98827	0.5
89.02454	3.8
93.03462	76.9
94.03801	2.5
95.66037	0.3
99.00895	0.7
100.36002	0.3
101.02437	0.5
113.02473	0.6
119.84305	0.3
125.02435	1.1
131.03537	0.6
137.02451	100.0
138.02800	4.2
149.04549	0.5
166.87209	0.4
191.05556	0.5
233.06715	1.6
293.08783	3.6
431.12097	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	431.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01379	24.4
61.98840	1.2
69.03452	3.4
69.63080	0.6
71.01382	5.3
71.43249	0.7
71.62447	0.9
72.99313	1.3
73.02940	2.3
83.01383	2.7
83.05055	0.6
85.02938	2.3
87.00890	1.5
89.02442	3.0
93.03477	0.7
95.01379	3.1
97.02953	2.8
101.02469	3.8
107.01382	1.1
108.02160	1.4
109.02957	2.4
113.02463	3.1
117.05597	3.6
119.03490	0.7
121.02916	1.0
121.17529	0.7
123.00874	6.3
124.01666	23.3
125.02451	54.1
126.02778	1.8
133.11887	0.7
135.04538	1.7
135.08218	1.0
137.02408	3.4
147.11780	2.1
147.27673	0.6
149.06062	0.8
149.99590	31.6
151.00223	2.3
151.03996	0.8
153.02036	1.6
161.02409	1.4
161.04619	0.8
167.03487	2.0
168.00641	62.9
168.88293	0.7
169.01379	6.3
173.45363	0.6
179.03520	2.5
209.11836	2.0
227.12845	0.8
239.09270	0.8
251.12770	0.8
266.56262	0.6
311.11469	0.9
313.05637	2.8
331.06799	1.2
371.17004	4.9
373.07877	0.9
389.18265	1.9
413.11081	2.6
431.11954	100.0
431.18805	9.2
432.12320	13.8
432.19061	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	431.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01094	1.7
59.01380	32.9
61.98830	1.7
69.03461	4.0
69.75047	5.1
71.01376	8.8
72.99298	2.1
73.02942	3.4
74.02483	0.9
75.00874	1.0
79.05495	1.2
80.96503	1.1
81.03448	1.0
83.01377	2.9
85.02963	4.9
88.98802	1.3
89.02460	5.4
93.03463	1.6
95.01378	2.0
97.02930	1.7
98.67830	0.9
99.00867	1.2
101.02438	8.0
107.01355	1.4
108.02157	1.8
109.02958	4.0
111.00906	0.9
111.48265	0.8
112.42666	0.8
113.02442	4.8
115.28141	0.9
117.05573	3.3
119.03508	1.7
123.00891	5.6
124.01663	24.3
125.02453	50.3
126.02733	2.4
129.57245	0.8
135.04509	2.7
137.02490	5.9
141.95343	1.0
143.95203	0.9
147.11772	3.2
149.06029	0.7
149.99580	25.6
151.00267	1.8
151.03993	0.9
152.01132	1.8
153.01930	4.2
161.02438	2.4
161.04561	2.1
165.12849	1.4
167.03493	1.0
168.00641	58.4
169.01294	5.5
171.49731	0.9
179.03510	1.7
209.11806	3.5
217.14403	1.4
251.13002	1.1
283.06253	1.1
284.10925	0.9
313.05591	2.0
371.16943	8.0
372.17514	1.2
386.18875	0.9
389.18280	4.6
413.10733	2.8
431.11926	100.0
431.18951	14.4
432.12277	11.3
432.19199	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	431.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.5
60.99310	13.2
69.71566	0.7
71.01382	2.0
71.61588	1.3
72.99278	1.0
88.98809	100.0
89.02442	10.6
89.99120	1.2
93.03461	15.0
94.03810	0.8
101.56967	0.7
135.04495	1.7
137.02455	24.9
138.02768	1.6
152.01099	0.9
163.75569	0.7
172.69440	0.7
293.08643	0.9
341.10843	2.3
344.37952	0.8
431.11499	1.2
447.77280	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	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63119	0.2
58.57065	0.2
59.01382	75.0
60.01709	0.8
63.02393	2.2
65.00328	1.8
69.60471	1.3
69.60876	0.4
71.01383	3.9
72.99301	0.3
73.02969	1.0
75.93680	0.2
77.18068	0.2
83.01384	0.9
83.62891	0.2
85.02949	1.3
86.07680	0.2
87.00912	0.4
89.02448	3.4
93.03457	1.4
95.01406	0.2
97.02939	0.2
98.20580	0.5
99.00909	0.3
101.02439	3.0
105.03487	0.3
107.01387	3.8
113.02439	1.9
117.02630	0.4
117.03464	7.5
118.03785	0.3
119.03516	2.2
121.02950	1.1
131.03444	0.3
133.02983	0.2
135.04536	0.8
143.03520	0.5
149.02440	3.4
151.00380	3.4
155.05013	0.5
157.06627	0.6
159.04520	2.7
161.02454	2.9
161.04547	1.3
169.06587	1.1
171.04445	0.2
173.06163	0.3
179.05602	0.8
180.05795	0.6
181.06618	1.3
182.03726	0.5
183.04498	3.6
195.04553	0.5
196.05275	1.2
197.06068	1.8
199.04010	0.4
201.05539	1.6
203.03395	0.2
207.88953	0.2
213.05617	0.4
224.04700	1.1
225.05565	4.9
226.05869	0.6
227.03424	1.0
237.05507	0.2
240.04263	0.9
241.05049	0.4
250.46259	0.2
253.05058	0.3
255.06628	0.3
268.03726	1.0
269.04541	100.0
270.04883	9.7
270.07867	0.4
271.15198	0.2
281.04590	0.3
283.06079	0.6
293.09323	0.3
311.05722	1.4
371.20697	0.7
431.09808	47.3
432.10172	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	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78935	0.6
59.01382	51.9
60.01713	0.8
61.98854	0.8
66.83261	0.5
70.04283	2.6
71.01392	8.8
72.99320	1.1
73.02946	3.7
73.76942	0.5
74.02515	0.6
74.21504	0.6
77.03977	3.9
79.01914	1.5
82.46905	0.5
83.01400	0.6
85.02950	3.0
87.00911	0.6
89.02459	5.1
93.03463	4.6
95.01373	1.5
99.00904	0.7
99.10466	0.6
101.02448	5.6
105.01939	3.4
105.03488	1.0
107.01414	1.0
113.02454	5.6
117.03471	14.9
118.03765	0.8
119.03542	1.8
119.05024	1.4
121.02966	3.2
123.04577	0.6
133.02948	0.8
135.04552	3.9
137.02463	4.4
145.03012	0.7
147.04497	0.6
147.11786	0.7
149.02449	3.1
159.04518	3.5
161.02432	7.2
161.04605	1.6
162.02847	0.8
163.00505	0.6
163.04004	5.1
165.01949	1.6
169.06598	0.8
173.02477	0.7
173.06094	0.7
175.04015	0.7
177.01949	0.5
179.03600	0.7
183.04510	0.7
191.03583	1.2
193.01483	0.5
197.06175	1.2
203.03520	1.3
209.11867	0.7
211.07617	0.8
224.04720	1.3
225.05522	0.8
227.16522	0.5
237.05554	1.0
239.07158	2.4
243.06660	0.8
251.12849	0.6
268.03723	2.9
269.04605	4.3
281.04520	5.7
282.05347	3.8
283.06119	64.8
284.06421	6.6
293.04483	2.7
295.06223	3.2
295.09042	0.5
298.01489	0.6
309.04080	1.4
311.05612	100.0
312.05933	10.5
312.09256	1.0
314.04272	1.5
323.05649	5.4
324.05942	0.7
341.02441	0.8
341.06622	15.3
342.06863	1.3
353.06949	0.9
371.20706	3.9
389.21863	5.4
395.07571	0.7
413.08951	1.6
431.09793	54.0
432.10123	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	431.0982
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.00702	0.3
59.01381	15.2
63.02401	0.9
65.00332	0.7
67.54772	0.3
69.99906	1.4
71.01376	1.1
73.02939	0.5
78.41954	0.3
83.01392	1.3
85.40549	0.3
89.02450	0.4
101.02442	0.8
107.01389	1.9
113.02425	0.5
117.03457	1.7
134.06145	0.5
135.04524	0.3
145.02980	0.3
148.01704	0.3
149.02437	1.4
151.00356	3.4
161.02394	0.6
161.04497	0.4
171.04532	0.6
172.05283	0.8
178.12962	0.3
183.04564	0.4
184.05351	0.6
195.04532	0.6
196.05309	0.7
199.03943	0.4
200.04707	0.6
201.05530	0.7
211.03969	1.7
212.04750	1.0
225.05499	0.5
225.14163	0.3
239.03482	3.1
240.04242	4.5
256.06329	0.3
267.03012	1.8
268.03760	100.0
269.04431	32.4
270.04898	2.5
281.96655	0.3
283.06076	0.6
306.82254	0.3
311.05615	1.1
362.15591	0.3
371.16345	0.4
431.09802	71.4
432.10156	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	431.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80530	0.4
59.01382	9.0
65.69409	0.4
69.55900	2.9
71.01382	1.3
72.99308	1.5
75.00870	0.4
85.02968	0.5
89.02466	0.5
99.92593	8.1
100.92560	0.7
101.02462	0.6
101.07902	0.4
104.86550	0.3
109.03029	0.4
113.02467	0.7
116.92862	100.0
117.03468	0.9
117.91571	0.3
117.92889	7.0
121.02980	0.6
123.04534	0.6
131.09839	0.4
133.02946	3.7
134.03160	0.6
134.99168	0.4
135.02988	2.6
135.04514	3.1
135.15771	0.3
145.02979	1.4
149.02448	2.9
150.03130	0.5
161.02452	10.7
161.04483	0.6
162.02815	1.6
177.75940	0.4
179.03535	1.7
198.28482	0.4
238.61975	0.4
267.06540	1.2
268.06921	0.5
290.24835	0.4
305.01208	0.5
311.05634	0.8
313.06888	0.8
371.20840	0.5
387.16766	1.3
388.17032	0.8
431.16965	0.4
431.22510	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	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17434	1.2
59.01379	100.0
69.46713	10.3
80.14129	1.1
83.81703	1.1
85.02255	1.2
98.20702	1.7
117.90493	1.3
123.40513	1.2
129.58273	1.2
131.37909	1.3
176.54471	1.3
295.22800	9.4
394.71179	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50563	0.9
55.40664	0.9
56.37812	0.8
59.01382	100.0
60.01721	1.2
67.24274	1.0
70.77540	2.8
91.04008	1.6
106.48907	0.9
108.83978	1.0
131.01529	1.0
133.03008	1.3
145.29005	1.0
161.02440	3.6
162.02841	2.5
244.49028	1.1
260.99252	1.0
295.22797	3.7
312.46902	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	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
58.00600	0.9
59.01382	100.0
60.01714	1.0
70.11039	1.2
71.01385	14.4
71.05051	0.4
72.99327	1.2
73.02950	12.8
78.95900	0.6
81.03454	0.4
83.01402	3.5
85.02957	3.2
87.00891	1.6
89.02443	5.3
93.03455	0.6
95.01402	1.2
99.00910	0.4
99.04555	1.2
101.02448	14.8
102.02798	0.6
108.02196	0.8
109.02997	1.1
113.02441	5.7
119.03535	1.7
121.02959	3.0
123.04522	7.6
125.02468	2.0
127.00412	0.4
131.03572	0.8
132.02194	2.2
133.03004	0.7
134.03755	2.7
134.62016	0.4
135.02756	5.8
135.04451	0.6
137.02444	0.6
143.03529	0.8
147.04556	0.6
149.04544	0.5
149.06158	0.7
152.01213	1.4
153.01987	0.5
153.09267	0.6
160.01666	11.3
160.03017	0.6
161.02161	0.9
161.04610	2.1
163.11296	3.3
167.03586	0.5
168.00705	0.5
171.10342	0.7
175.03999	15.6
176.04404	1.6
179.01701	5.3
179.03261	0.6
193.05049	4.3
198.53941	0.3
203.05550	0.6
207.10237	7.4
207.14061	1.2
208.10661	0.7
225.11464	0.4
225.15059	0.8
232.12840	0.4
244.11372	0.5
331.06696	0.5
336.25388	0.4
369.15433	1.9
369.19611	0.5
387.16541	5.6
388.17084	0.7
429.17990	39.0
430.18283	5.8
436.10327	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	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05247	0.3
55.01865	0.4
57.03447	0.6
59.01381	100.0
60.01723	1.4
69.64413	2.4
71.01379	7.3
71.05058	0.4
72.92008	0.3
72.99311	0.6
73.02956	1.8
74.32722	0.3
81.62837	0.3
83.01400	1.3
85.02944	2.7
87.00884	0.5
89.02443	3.5
95.01417	0.7
99.00906	0.7
101.02457	4.3
108.02184	1.3
109.02970	1.1
113.02445	5.4
119.03507	1.4
121.02986	0.4
125.02482	0.3
127.00481	0.6
135.04530	3.0
137.02441	0.7
143.03490	0.7
145.02937	0.7
151.64262	0.3
152.01176	1.0
153.01953	0.5
161.04588	1.2
189.12898	0.5
192.11780	0.3
195.13942	0.9
198.12625	0.3
200.11082	0.4
207.10272	0.5
207.13919	0.6
225.14992	1.5
367.16736	0.4
369.19199	3.7
370.19531	0.4
387.20224	1.9
429.13284	0.6
429.17847	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10582	0.4
57.03469	0.9
58.00603	0.7
59.01380	100.0
60.01717	2.3
71.01385	12.8
72.99309	1.0
73.02973	2.2
75.00879	0.5
83.01392	1.0
85.02934	2.2
87.00891	1.6
89.02447	15.1
93.03472	0.8
95.01402	0.8
98.20652	1.1
99.00887	0.6
101.02441	6.7
107.05054	0.8
113.02448	6.1
119.03493	6.6
131.03561	0.8
133.02971	0.6
135.04529	1.5
137.02509	1.1
137.09714	2.1
143.03539	1.2
144.03963	0.5
152.04691	0.4
161.02473	2.3
161.04568	2.1
161.09727	1.6
161.13388	1.1
163.11305	1.0
165.12959	0.6
175.36607	0.5
179.03456	0.5
179.04182	0.6
179.05595	4.0
187.11287	2.5
189.09235	0.5
203.10806	0.5
205.12354	1.5
206.12827	0.5
207.10402	0.7
223.13385	8.4
224.13791	0.8
229.12396	0.9
249.11441	1.6
250.12085	0.4
267.12366	7.1
291.12512	0.6
305.81564	0.5
309.13449	0.7
339.14532	1.0
369.15414	2.7
369.19669	0.5
370.15924	0.5
429.17197	1.1
429.22064	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87738	0.5
58.00597	0.7
59.01381	100.0
60.01716	1.4
70.03679	1.0
70.04076	1.3
71.01386	11.8
73.02936	0.6
83.01424	0.8
85.02955	1.4
87.00901	1.8
89.02445	16.0
89.02982	0.8
92.24569	0.7
101.02444	6.7
113.02454	6.0
119.03501	5.8
124.97692	0.5
131.03474	0.9
137.09743	2.1
143.03523	1.3
149.04500	0.6
156.50154	0.6
161.04488	0.8
161.09822	0.9
179.05670	2.5
179.38127	0.5
186.08147	0.6
187.11322	1.6
189.09161	0.8
223.13380	7.4
224.13826	0.7
267.12421	4.0
339.14386	0.7
369.15710	2.5
403.71426	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.50486	0.7
57.03445	1.2
59.01383	100.0
60.01711	1.1
64.15044	0.7
69.78775	4.7
71.01387	13.2
71.05032	1.5
71.89188	0.8
72.99312	13.2
73.02959	5.0
74.51999	0.7
81.03458	1.7
82.72693	0.7
83.01385	1.7
83.05021	2.5
85.02965	6.5
85.06592	2.5
87.00864	1.1
89.02454	5.8
93.03426	1.0
95.01398	1.4
95.05030	2.6
99.00867	1.5
99.08184	1.0
101.02451	8.6
108.02175	4.4
109.02962	13.6
109.06588	2.0
113.02435	7.4
119.03490	2.6
121.02914	1.1
122.03712	0.7
123.04518	6.0
124.04897	0.8
127.00360	1.5
131.07167	5.1
133.02919	0.9
135.04536	10.7
135.08214	1.0
137.09676	1.3
143.03444	0.9
152.01160	6.2
153.01939	13.5
153.09180	1.9
157.01434	0.9
161.02411	2.1
161.04565	2.9
161.09634	1.0
163.11240	1.1
177.09210	6.7
179.03522	7.3
179.07024	1.0
197.04576	12.8
198.04922	0.9
205.12331	3.3
207.08604	1.1
207.10368	1.4
207.13876	2.3
221.08156	2.4
223.13396	1.8
225.14987	8.2
267.12219	1.7
369.15332	0.8
369.19287	10.1
370.19397	1.8
387.20462	10.5
388.20645	1.1
429.13327	22.2
429.18594	2.7
430.14261	2.9
430.27658	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	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66590	0.1
59.01377	0.1
61.98819	0.1
69.80779	0.4
69.81188	0.3
71.01368	0.1
92.33306	0.2
99.92587	5.2
100.92689	0.2
100.93362	4.3
101.93375	0.3
113.92581	0.2
115.92081	100.0
116.92086	5.8
116.92869	5.6
117.92850	0.3
132.92360	1.1
142.94437	0.2
155.95235	0.2
172.95470	4.7
173.95613	0.4
255.23250	0.7
280.00400	0.1
355.15884	0.8
355.19702	0.1
356.16098	0.2
371.15051	0.2
381.17401	1.0
411.17886	0.1
417.41379	0.1
429.13983	0.3
429.19470	3.5
430.20047	0.8
430.25775	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	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87378	0.4
57.03462	0.6
58.00582	0.5
59.01381	100.0
60.01721	2.0
69.03457	0.5
71.01382	13.1
71.22163	0.5
72.01737	0.6
72.99313	0.7
73.02953	15.0
83.01407	3.9
85.02957	2.5
87.00906	1.2
89.02449	4.3
89.02927	0.5
95.01402	1.0
99.00916	0.8
101.02438	11.0
101.03053	0.7
108.02193	1.2
109.02967	0.8
113.02438	4.2
119.03540	1.5
121.70882	0.5
123.04540	1.3
125.02457	0.7
131.03519	0.9
132.02159	2.1
134.03755	3.0
135.02747	3.2
152.01135	1.1
153.01988	0.7
160.01665	10.4
161.02104	0.5
161.04604	1.8
163.11266	3.5
167.03534	0.5
175.04010	18.5
176.04361	1.3
179.01726	2.6
193.05049	4.8
201.15369	0.4
207.10263	8.4
207.13832	0.4
208.10718	1.2
213.00793	0.4
253.09412	0.9
339.88437	0.4
369.15475	2.5
387.16467	5.4
388.17072	0.7
396.56018	0.5
408.37790	0.5
409.49182	0.5
418.72110	0.4
425.66837	0.5
429.17966	45.4
430.18256	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38791	1.3
57.03444	3.8
59.01383	100.0
60.01723	2.1
70.80361	3.1
70.80729	2.5
71.01383	13.9
71.05046	1.7
72.99280	1.4
73.02952	2.8
83.01384	1.9
83.05015	1.7
85.02940	5.0
87.00883	7.9
89.02431	8.2
93.03467	2.6
97.06609	3.3
99.04518	1.2
101.02449	9.7
107.05022	5.0
109.02962	2.8
113.02447	4.2
119.03511	3.6
119.05022	1.9
120.05850	3.1
134.06169	3.2
135.04520	3.8
137.02458	5.6
149.81940	1.2
153.01941	1.6
153.41238	1.4
159.11823	3.3
161.02425	1.5
161.04556	1.5
161.09708	13.0
161.13351	7.1
163.11244	1.8
185.13361	3.4
187.11259	19.5
188.11673	2.0
189.09178	7.7
203.10820	5.6
205.12331	9.0
223.13400	71.3
224.13771	6.5
229.12332	6.0
249.11311	8.0
267.12366	48.6
267.15240	2.9
268.12747	5.0
269.04770	1.6
291.12302	5.8
309.13580	8.3
339.14523	7.3
369.15469	38.9
370.15665	4.1
429.08542	2.1
429.17581	12.0
430.17691	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24972	0.7
57.03442	1.8
59.01382	100.0
60.01717	1.9
61.98842	1.7
69.03474	0.6
71.01387	16.9
71.01761	1.3
72.99321	2.4
73.02952	21.0
75.00854	0.7
81.58916	0.6
83.01403	5.3
83.05047	0.7
84.30926	0.7
85.02946	3.3
87.00887	3.1
89.02445	5.7
93.03460	11.6
95.05024	3.4
99.00916	0.8
100.30614	0.6
101.02448	14.4
105.12487	0.7
107.05044	4.9
113.02442	4.9
119.03515	2.0
120.05841	1.3
121.02991	0.7
127.00349	0.9
129.54251	0.7
133.02988	1.5
135.04526	6.2
137.02475	3.0
143.03529	1.5
149.04506	1.6
159.11754	0.9
161.02455	6.6
161.04573	3.6
161.09712	5.9
161.13380	2.0
163.11282	33.3
164.11565	1.7
179.03575	2.6
185.13367	1.2
187.11301	5.7
189.09244	2.0
197.04623	1.8
203.10841	2.1
205.12367	2.4
207.10260	65.6
208.10550	5.0
223.13382	28.4
224.13818	1.6
227.86896	0.8
229.12399	1.0
249.11444	2.2
267.12372	18.8
267.15848	0.9
268.03867	2.4
268.12787	2.1
269.04541	3.4
271.15588	0.9
273.08072	0.7
281.09567	0.9
291.12408	2.3
305.85040	0.8
309.08838	0.7
309.13480	2.4
323.07977	0.8
339.14514	2.9
355.09430	1.9
355.88257	0.8
369.10977	1.6
369.15509	14.1
370.16098	1.6
415.11639	2.6
429.08325	2.3
429.17371	7.9
430.17743	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.00612	1.0
59.01381	100.0
60.01713	0.9
60.73533	0.7
71.01380	12.0
71.05033	0.9
72.99316	1.2
73.02959	1.7
83.01400	1.1
83.05070	1.2
85.02976	2.7
87.00867	4.8
89.02447	11.1
97.06590	1.4
101.02438	6.4
103.37659	0.7
107.05041	2.0
113.02468	5.0
119.03481	3.5
120.05843	1.9
135.04602	1.3
143.03551	1.2
159.08191	0.9
159.11794	1.2
161.04568	2.8
161.09711	6.1
161.13358	3.9
179.05656	2.2
185.13379	1.0
187.11270	9.6
188.11627	1.4
189.09177	3.8
203.10919	3.7
205.12354	3.6
223.13380	35.8
224.13745	3.0
229.12312	3.7
249.11389	5.4
267.12369	22.8
268.12772	2.3
283.31839	0.7
286.23953	0.8
291.12372	2.4
309.13428	4.9
339.14413	4.8
350.26010	0.8
367.06042	0.7
369.15518	20.5
370.11877	0.8
370.16074	2.6
387.20090	0.8
429.17273	5.7
430.18372	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
58.00586	0.7
59.01381	100.0
60.01717	1.1
69.03452	0.8
69.43668	1.2
69.44073	5.9
71.01381	14.3
71.05012	0.9
72.99303	3.6
73.02946	3.2
73.63378	0.7
78.46699	0.7
83.01415	2.2
83.04987	1.2
85.02962	4.5
85.80942	0.7
87.00882	5.5
89.02444	11.6
95.01355	1.4
97.06593	4.4
98.20605	1.7
101.02442	7.6
107.05031	12.3
108.02145	0.8
109.02988	1.6
109.80669	0.8
113.02467	6.8
119.03535	3.2
120.05825	2.6
135.04523	4.5
141.05623	1.4
147.08234	1.0
152.01106	1.5
153.01982	1.9
153.79674	0.9
159.08138	1.2
161.02452	1.4
161.04546	1.3
161.09729	8.2
161.13382	2.5
163.11273	1.9
179.05591	1.3
187.11287	12.9
188.11687	1.2
189.09207	3.4
203.10838	1.2
205.12241	4.8
207.10291	2.3
217.17740	0.8
223.13379	51.7
224.13718	4.1
229.12079	1.1
231.10374	1.2
249.11301	6.3
267.12366	49.8
268.12662	4.3
276.08228	0.8
355.12845	0.8
369.15326	1.5
369.19339	1.3
387.20163	1.1
429.17712	6.1
430.25766	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	429.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.3
68.44303	0.6
106.06635	7.2
119.21414	0.6
122.06114	2.1
130.02994	1.7
131.03767	2.6
132.04576	3.6
134.06123	56.5
135.06441	2.4
144.04549	1.7
146.06136	1.2
148.04066	1.0
152.07176	1.7
158.02460	4.8
160.04060	1.1
162.05605	2.3
176.03548	0.9
186.60329	0.7
188.07127	0.6
190.05089	18.4
191.05334	1.3
194.08293	1.5
202.05045	3.2
203.05898	1.7
216.06508	1.7
221.91048	0.6
222.05544	0.7
222.07712	13.2
223.08052	0.6
223.12497	0.6
234.07677	10.8
235.08716	2.1
248.09338	1.2
249.10321	3.3
250.11035	1.0
251.11862	2.1
253.04955	1.1
263.08267	2.1
267.11536	0.6
277.09763	4.5
278.10654	1.1
279.07870	1.1
279.11255	1.8
293.09406	0.9
295.10837	1.6
305.09354	2.7
307.10828	0.7
309.12439	7.4
322.09277	0.7
323.10547	1.1
337.11966	12.8
338.12253	2.4
339.09113	0.7
341.15054	1.9
369.14545	100.0
370.14874	18.2
387.15686	4.1
429.16718	13.0
430.16830	2.8
439.70761	0.6
451.86612	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	429.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	49.9
63.31052	0.5
71.01381	2.0
72.99307	0.9
73.02934	1.1
83.01405	0.7
85.02988	0.7
89.02457	1.0
92.05115	0.5
98.19838	1.5
101.02444	0.8
106.06636	5.7
113.02450	1.0
122.06125	3.0
130.02991	1.3
131.03754	2.2
132.04561	7.5
133.02965	1.3
133.04953	0.6
134.06125	57.7
135.04524	1.8
135.06474	2.5
137.02507	0.7
144.04565	1.9
145.02924	1.6
145.05307	0.5
146.03348	0.5
146.06119	1.7
148.04024	0.9
152.07181	2.2
158.02472	3.8
158.06070	0.7
160.03999	1.2
161.02443	2.5
162.05573	2.2
172.04033	0.7
176.03546	0.6
178.91701	0.6
179.03581	0.7
179.10826	0.6
190.05106	17.4
191.05464	1.1
192.06647	0.8
194.08244	1.7
202.05185	2.9
203.05873	0.9
207.09218	0.7
216.06647	1.5
219.05354	0.7
222.07715	14.4
222.09744	0.9
223.08150	0.6
223.13538	1.0
233.07219	0.5
233.79901	0.5
234.07697	10.9
235.08711	2.2
241.99747	0.6
248.09451	1.6
249.10269	2.3
251.11819	1.7
263.08286	1.7
267.07007	0.6
267.11905	0.6
277.09885	3.5
278.10419	1.1
279.08096	0.8
279.11362	2.7
281.13083	0.8
293.09354	1.1
295.10950	1.1
305.09344	1.7
307.07608	0.8
309.08853	0.8
309.12439	7.3
310.12955	1.2
320.62546	0.6
323.10349	1.1
337.11954	13.0
338.12393	1.5
341.15207	1.5
369.14551	100.0
370.14890	15.5
387.15698	3.9
388.16086	1.2
429.16617	16.0
429.21252	1.0
430.17007	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	429.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20201	0.7
56.84881	0.6
59.01377	2.3
59.37050	0.6
61.98832	9.3
70.94746	0.7
70.95087	1.5
71.01378	0.8
72.00904	11.5
72.99279	0.7
74.02473	14.9
75.02870	0.7
85.02956	0.8
87.00843	0.8
93.03465	2.1
98.01266	0.7
111.00946	0.8
113.02440	1.7
116.05066	51.0
117.05380	2.1
123.04534	1.4
129.05875	1.2
130.05734	1.3
130.06633	13.5
135.04517	0.9
137.02412	3.6
142.06628	14.0
143.06924	0.9
157.07715	2.1
159.09277	10.4
161.04811	1.4
172.44711	0.6
186.05626	2.1
203.08264	100.0
204.08614	6.7
211.11148	0.7
220.02841	0.7
225.06453	68.2
226.06805	5.0
269.05447	1.6
429.06464	0.9
429.15436	24.1
430.15790	4.8
430.20993	0.8
440.19019	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86332	0.7
59.01381	100.0
59.36041	0.8
60.01727	1.9
71.44962	1.3
91.04010	0.9
128.90199	0.8
132.02133	0.9
133.02956	14.3
134.75824	0.8
136.01671	3.0
149.02386	2.5
150.03204	2.6
151.85204	0.9
158.03543	0.8
161.02441	50.8
162.02750	2.5
190.04362	0.8
235.16986	3.4
275.20184	5.5
293.21219	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	429.1401
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
52.13743	0.6
55.01884	1.0
57.03432	1.3
58.00587	0.7
59.01382	89.7
59.93528	0.6
61.98840	1.0
65.26700	0.5
68.99818	0.7
69.03470	2.5
69.88299	3.3
71.01386	23.5
72.99316	1.2
73.02947	16.0
79.65657	0.6
81.03480	2.0
83.01397	5.9
85.02950	9.0
87.00876	1.4
88.04008	0.7
89.02451	7.7
93.03501	0.9
95.01392	4.8
97.02960	1.0
99.00896	2.0
101.01765	1.4
101.02442	20.8
108.02180	80.1
109.02971	60.0
110.03303	2.2
113.02448	11.5
116.10785	0.7
118.94469	0.5
119.03522	2.8
121.02972	2.0
123.00907	3.4
123.04542	1.6
125.02489	0.8
127.00352	0.9
131.03485	1.5
133.02980	0.8
135.04555	5.6
137.02461	1.0
143.03490	1.4
146.68983	0.6
149.04504	0.8
151.04028	1.5
152.01160	82.5
152.08435	2.3
153.01953	30.0
153.05559	0.7
154.02260	1.8
159.02982	0.7
161.02492	0.8
161.04601	3.7
163.04005	2.2
165.01967	1.9
167.03534	1.0
179.01785	0.7
179.03282	0.7
179.93407	0.6
188.64247	0.6
220.85510	0.6
225.04181	0.7
225.14946	2.2
297.06030	1.0
313.05338	0.7
315.07300	5.9
319.80273	0.7
357.08270	14.0
358.08490	1.4
369.19095	7.6
387.20227	16.3
388.20547	2.3
411.12866	5.4
412.13382	1.3
429.13959	100.0
430.14236	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	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25119	1.9
59.01379	100.0
70.03033	4.6
70.03426	3.8
75.68915	1.6
81.19080	2.0
87.99278	1.8
97.85746	1.6
106.49086	1.6
159.34756	1.7
161.02414	3.5
163.07623	1.7
240.59149	2.0
255.77000	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83711	1.0
59.01382	78.2
60.01702	1.6
71.62957	1.1
97.28874	1.1
97.36627	0.9
132.02180	1.3
133.02959	26.5
134.03214	1.2
135.04510	1.1
149.02489	4.4
150.03215	7.1
161.02451	100.0
162.02788	5.6
171.10240	1.6
212.91353	0.9
216.43053	0.9
216.89555	1.0
247.09807	1.1
268.07150	1.2
275.20169	1.7
293.21371	4.5
329.78204	0.9
409.12906	2.6
427.34912	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84000	0.7
59.01383	100.0
59.77154	0.7
60.01715	1.6
65.01762	0.9
71.59940	1.5
78.01344	0.8
79.78679	0.8
91.03999	3.0
93.33236	0.9
105.89333	0.8
106.84521	0.8
133.02957	15.2
141.62563	0.7
149.02397	1.9
150.03229	4.0
161.02449	46.6
162.02777	3.2
275.20148	2.3
293.21262	10.8
294.21384	1.8
390.19968	0.9
398.10800	0.8
409.12698	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01707	1.6
69.03472	0.6
71.08693	0.7
81.95476	0.8
82.91639	0.6
91.04019	1.7
121.02921	0.9
133.02957	14.8
133.03860	1.2
136.01686	2.7
137.02437	1.0
148.05429	0.8
149.02417	3.2
150.03233	3.1
161.02443	48.8
162.02815	3.0
165.79892	0.7
172.69868	0.7
177.41557	0.7
184.26637	0.7
192.70766	0.7
235.17006	4.1
275.20157	5.2
293.21356	2.7
313.85565	0.7
409.13055	1.0
427.26569	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
59.01380	100.0
66.68911	1.8
69.56913	6.7
69.57334	4.9
71.01388	18.0
73.02950	14.5
73.87380	1.6
74.20129	1.5
83.01381	3.5
85.02947	6.3
86.22413	1.5
89.02432	7.1
101.02438	13.7
113.02449	8.5
113.06014	1.6
120.56201	1.7
135.04506	3.7
138.06850	9.1
139.07625	2.5
151.07607	8.0
152.08418	18.0
153.09224	51.9
154.09595	2.4
161.04555	4.9
165.09123	2.0
171.58395	1.7
174.23213	1.5
179.03503	4.0
205.12314	14.3
223.13338	7.1
246.92035	1.8
338.71725	1.5
367.17432	4.8
427.19531	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98895	0.5
55.01879	0.8
57.03439	0.7
59.01381	100.0
60.01716	1.2
60.94273	0.5
69.74237	3.1
69.74529	1.0
71.01385	12.1
72.01742	0.6
73.02953	4.8
83.01393	1.6
85.02947	4.3
89.02449	3.1
94.58160	0.5
95.01424	1.6
97.02946	1.0
97.10527	0.5
99.00920	0.7
101.02450	5.0
113.02454	8.4
113.06155	0.7
119.03544	0.6
125.06076	0.6
136.05336	1.9
138.06883	4.1
139.07668	2.0
143.03539	0.8
150.50696	0.6
151.07622	4.0
152.08432	14.7
153.09213	25.6
154.09576	1.1
161.04565	3.2
165.09259	1.5
205.12303	12.7
206.12735	1.2
208.63525	0.7
223.13402	3.1
367.17624	12.1
367.21835	0.9
368.18082	1.6
385.18790	1.7
427.20120	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03445	1.1
58.00587	0.9
58.77332	0.9
59.01378	100.0
60.01708	0.9
61.87142	0.9
71.01382	25.5
71.65079	1.6
72.99304	3.5
73.02946	8.4
78.22743	1.2
83.01362	1.7
85.02940	4.6
85.06577	1.3
87.00876	1.4
89.02441	32.9
90.02791	1.1
95.01401	1.8
98.76601	1.0
101.02444	16.2
103.13083	0.9
108.02216	4.5
109.02972	5.2
112.93740	2.1
113.02441	11.9
117.05516	1.0
119.03489	12.3
131.03479	2.4
131.07111	3.0
133.02989	1.0
135.04517	4.5
137.02477	1.8
143.03506	3.9
147.04526	7.1
149.04533	1.1
152.01152	3.2
153.01939	10.8
153.09216	2.6
161.02432	3.9
161.04568	3.8
162.02803	1.2
163.04018	1.2
175.03969	1.1
179.05634	9.8
187.11279	15.7
188.11630	1.1
205.12306	13.3
253.05360	1.1
265.10706	1.0
427.12411	2.6
427.20114	4.8
428.20319	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53441	0.6
54.45721	0.5
55.01894	0.9
56.70967	0.6
57.03457	1.8
58.00600	0.8
59.01381	100.0
60.01732	1.2
61.98832	2.6
69.03478	0.7
70.66769	0.5
71.01383	32.4
71.63023	0.7
72.99321	2.1
73.02949	30.5
74.77948	0.5
75.00877	1.1
78.01807	0.6
79.95786	0.5
83.01399	8.5
85.02946	6.7
85.06589	0.7
87.00881	1.1
87.99230	0.6
88.97674	0.6
89.02450	10.9
89.02986	0.8
93.03481	1.8
94.65908	0.6
95.01381	2.1
97.02951	1.1
97.44855	0.6
98.96676	0.6
99.00910	1.8
101.02445	34.0
102.02771	0.9
107.05023	0.7
108.02186	2.2
109.02979	2.8
113.02451	12.6
119.03539	5.1
119.05010	0.8
121.02889	0.6
123.08125	0.9
125.02474	1.1
127.00415	2.1
128.49236	0.6
131.03552	2.0
131.07176	2.2
133.02939	0.8
135.04559	3.2
135.08250	0.8
137.02469	2.5
143.03517	2.6
145.02983	1.2
147.04552	1.4
147.08159	0.6
149.04573	1.6
151.07661	1.2
152.01192	1.6
152.08334	0.8
153.01929	6.3
153.09207	8.4
161.02481	2.6
161.04552	8.5
163.03999	0.6
165.05574	1.4
165.09177	0.9
166.05919	0.6
175.91856	0.7
176.78813	0.6
179.03496	1.1
179.05667	1.4
187.11308	1.6
200.65092	0.6
203.10741	1.5
205.12326	12.2
221.06703	0.7
223.13422	2.5
247.09810	0.6
327.73502	0.6
367.17636	3.3
376.10739	0.6
385.18613	3.1
427.12534	1.3
427.20267	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31407	0.3
58.05715	0.3
59.01381	100.0
60.01720	1.3
61.94620	0.3
71.01373	0.6
71.41476	0.4
72.99297	0.4
124.01730	0.4
125.02441	1.0
135.04541	2.0
148.05313	11.1
149.05641	0.7
163.07658	14.3
164.04802	0.7
164.08002	0.5
165.02837	0.3
168.00694	0.5
179.07207	0.5
203.05699	0.5
427.12579	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	426.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33349	0.5
54.85305	0.5
59.01383	14.8
60.01720	1.2
61.98833	100.0
69.59451	0.5
69.64718	1.4
69.65141	2.2
71.01392	4.2
72.99303	0.6
73.02956	1.5
78.95944	1.1
82.58087	0.5
83.01424	0.9
85.02968	2.1
87.00891	1.4
88.32780	0.5
88.98810	0.9
89.02446	3.2
93.03436	0.6
99.00910	0.8
99.92598	1.3
100.92641	1.3
101.02475	3.1
108.02181	1.2
109.02972	2.7
111.00874	0.9
113.02476	1.6
115.07765	0.7
115.92079	1.6
119.05025	0.9
120.99660	1.8
127.00375	0.6
133.02968	2.0
135.04546	4.1
137.02472	1.5
145.02991	1.1
149.02435	0.6
149.06119	0.8
152.01151	0.9
153.01979	1.5
155.94353	0.6
159.04613	0.9
161.01224	0.9
161.02451	6.9
161.04585	1.2
163.04092	0.9
175.04054	1.0
177.09599	2.2
179.03539	2.4
203.03523	1.8
211.09850	0.6
213.91910	0.6
235.11900	0.7
249.06183	1.2
265.07236	0.8
268.95407	0.6
306.16574	0.6
324.17233	0.7
367.16025	3.1
426.02347	1.3
427.08478	0.7
427.16562	5.1
427.25040	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	425.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.1
61.98825	0.8
71.01384	2.6
71.91318	0.6
72.99320	1.6
73.02951	0.8
75.00873	0.8
83.05000	0.7
85.02962	0.9
86.00565	0.5
87.00837	0.5
88.98840	0.6
89.02435	0.5
92.48860	0.5
93.03447	2.8
95.01426	0.8
97.02941	1.3
97.06587	0.6
98.19904	1.2
101.02415	0.9
103.29670	0.5
105.07103	0.7
108.02187	0.7
108.05820	1.5
109.02951	2.2
109.06574	0.8
111.04523	2.0
113.02436	1.0
113.06088	1.5
117.03465	1.4
119.05026	100.0
120.05355	5.5
121.06664	0.8
122.03718	1.0
123.08176	1.3
125.06081	2.8
127.00361	0.5
133.02954	1.2
134.03773	0.7
135.04533	5.0
136.05305	1.1
137.02448	3.5
137.06020	0.8
138.06854	1.9
139.07666	5.2
145.02957	3.9
148.05118	0.6
149.06110	0.7
151.04030	0.6
151.07648	10.0
152.04716	0.6
152.08443	4.5
153.09195	1.6
155.88879	0.6
161.02448	6.8
161.09732	0.8
163.04008	83.6
163.07643	1.5
164.04329	4.2
167.07179	0.5
169.65193	0.6
179.03477	1.3
189.05670	0.8
189.09198	0.6
197.04492	1.1
199.80339	0.5
201.12834	3.0
203.10788	2.7
203.25412	0.6
204.11526	5.8
217.71680	0.6
219.13870	9.8
243.14001	0.7
245.11728	1.4
263.12872	14.1
264.13260	1.5
287.13092	1.2
305.13989	0.9
307.08554	0.7
364.72623	0.6
375.03622	0.5
385.41406	0.6
425.14401	1.8
428.78455	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	425.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16348	0.3
59.01371	1.4
69.44267	0.6
69.44681	2.3
71.01366	0.5
72.99314	0.5
75.00829	0.6
93.03444	0.9
97.02934	0.3
105.07088	0.5
111.04545	0.3
114.99481	0.4
119.05029	100.0
120.05360	5.3
122.03706	0.5
125.06091	0.8
133.02924	1.1
135.03003	0.4
135.04498	1.9
136.05295	0.7
137.02444	1.3
138.06845	0.4
139.07619	1.2
145.02879	0.5
151.07672	3.1
152.01126	0.5
152.08415	1.6
153.09154	0.8
161.02448	2.9
163.04012	78.1
164.04362	4.8
174.31668	0.4
179.03462	0.4
189.08922	0.4
193.44073	0.4
197.04552	0.5
201.12856	1.3
203.10759	0.8
204.11578	1.8
219.13916	2.5
245.11819	0.4
249.64131	0.3
263.12878	4.3
277.84573	0.4
287.12753	0.7
307.08215	1.1
425.14542	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	425.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	45.0
69.03461	12.5
69.43024	40.5
71.01381	31.8
71.05019	33.5
72.99319	7.7
73.02953	27.6
83.01398	6.9
87.02123	3.9
93.03453	15.2
101.02457	13.1
105.03468	7.9
113.02465	11.9
121.02950	24.7
133.02954	13.3
134.03738	6.6
135.04518	25.3
137.02451	26.0
138.71910	4.3
145.02989	5.4
147.04572	5.4
149.02449	7.0
149.09779	5.2
157.21756	4.6
159.04576	6.2
161.02448	100.0
162.01628	4.7
162.02888	7.8
177.09198	7.1
179.03549	13.4
189.01846	7.7
201.93564	4.0
213.57881	4.7
219.03017	12.2
221.08183	98.5
222.08528	9.5
278.79578	4.9
339.04944	6.0
410.30103	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	425.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.7
61.98818	4.0
62.28272	1.1
71.01378	5.6
72.00913	27.1
72.99313	2.0
76.54172	1.1
82.03023	1.4
84.34647	1.0
84.86982	1.2
85.02948	3.5
89.02434	3.3
100.00409	96.3
100.04047	8.4
101.00732	2.0
101.02428	4.6
108.02183	1.5
109.02961	1.5
113.02444	3.0
117.05575	2.2
135.04533	1.7
137.02380	1.9
140.07214	2.4
141.07570	1.3
144.03024	100.0
145.03317	3.0
147.11720	1.3
148.06207	2.2
151.07576	1.4
153.01906	1.3
161.02428	2.2
177.09541	1.3
202.41843	1.3
228.52090	1.2
262.10782	1.3
265.11179	2.1
293.15762	1.7
389.18173	19.5
390.18484	2.2
424.21786	1.4
425.16483	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	424.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43822	3.9
57.03447	6.2
59.01366	4.9
61.98829	5.2
67.98431	4.4
69.53281	5.8
69.53686	27.0
71.05006	7.6
83.28330	4.2
84.95739	4.6
115.07652	70.7
128.10822	6.1
131.03877	4.2
142.82086	3.9
156.10297	63.3
158.11859	63.0
161.02422	4.7
167.14394	56.6
197.02631	5.5
211.13356	61.8
213.96933	4.9
229.14438	80.4
230.14880	5.0
237.18550	5.1
241.15700	7.0
241.18074	100.0
242.18369	6.7
265.18085	23.0
265.21362	5.4
283.19138	89.8
283.22473	3.9
284.19409	11.1
308.22253	19.5
309.20636	11.6
326.23306	14.1
424.30542	99.8
425.30774	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	424.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.4
60.48249	1.0
64.94333	1.2
69.34744	8.6
69.35162	3.2
71.05023	12.9
75.33195	1.2
97.06608	1.7
99.08157	1.1
114.09243	4.6
115.07652	64.5
116.07992	2.2
128.10794	3.3
130.03397	1.6
133.02975	4.1
138.09259	2.2
149.91823	1.2
156.10289	33.1
157.10623	1.7
158.11867	38.1
159.12212	1.7
161.02425	6.0
165.12782	1.4
167.14412	51.8
168.14784	2.6
169.12343	4.6
182.15608	1.4
211.13397	76.4
212.13719	4.9
223.16977	2.9
227.16518	2.6
229.14442	56.2
230.14749	4.3
237.18648	2.6
241.18086	100.0
242.18443	8.6
265.18097	19.4
265.21683	3.6
270.20724	1.4
273.71957	1.1
283.19153	74.3
284.19485	6.9
290.21234	1.7
303.22528	1.4
308.22363	14.8
309.20541	5.7
326.23315	9.9
406.29358	1.4
424.30652	73.4
425.30923	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	424.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
59.01382	10.1
60.01694	0.6
61.98819	0.9
71.01375	1.5
71.05020	11.9
71.62887	0.5
72.00896	1.1
76.68412	0.5
83.05036	1.0
85.02946	0.7
92.24503	0.6
93.29325	0.5
97.06586	1.8
99.08158	1.3
113.96811	0.5
114.09226	3.4
115.07648	56.9
116.07970	2.0
127.11272	0.7
128.10817	2.4
138.09232	1.4
139.11273	0.8
140.10838	0.9
150.34225	0.5
156.10287	31.9
157.10612	2.0
158.11861	35.0
159.12163	2.1
161.02353	1.3
165.12869	0.8
167.14415	44.8
168.14716	2.4
182.15575	1.0
197.19072	0.6
206.41048	0.7
211.13385	57.1
212.13721	3.8
212.16701	0.7
221.19069	0.6
223.17007	2.6
227.16502	1.8
229.14432	54.2
230.14778	5.1
237.18593	2.9
241.18076	100.0
242.18422	9.4
247.17021	0.7
265.18073	18.9
265.21628	3.3
266.18420	1.7
266.22101	0.8
267.19577	0.9
270.20605	1.2
272.18634	0.8
278.05081	0.6
283.19135	79.9
284.19498	8.4
290.21158	1.1
308.22311	15.6
309.20441	6.3
326.23383	7.5
327.23694	1.0
406.29440	0.9
424.30661	69.1
425.30911	11.2
425.79800	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	423.3267
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.76653	0.8
58.00601	3.8
59.01370	1.1
71.01367	1.5
97.06592	10.0
113.06104	0.6
160.01666	2.8
165.61966	0.8
175.03973	3.3
221.36888	0.9
307.20657	1.8
371.27536	1.5
373.25201	0.8
375.27063	0.9
381.27997	2.8
387.30560	52.5
388.30984	10.5
389.28445	4.3
390.28940	1.3
393.31763	0.8
405.31766	9.5
406.28613	31.9
407.29099	7.3
421.31134	8.5
422.31366	2.1
423.32690	100.0
424.28070	0.8
424.33008	23.7
424.38794	1.3
439.28381	0.9
441.33975	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	424.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01388	2.3
71.05021	12.3
84.08195	0.5
97.06599	3.1
113.09746	0.4
114.09272	0.4
115.07648	5.2
127.11295	17.1
128.11647	0.7
132.44669	0.4
135.04552	0.5
151.11298	1.8
153.12852	2.1
156.10353	1.1
158.11888	1.6
161.02443	0.9
164.14436	1.2
165.12840	1.3
167.14426	48.1
168.14745	3.2
169.12352	51.2
170.12714	3.4
182.15529	3.2
185.15453	0.8
211.13406	56.8
212.13805	4.4
212.16447	2.4
226.18210	1.0
229.14444	100.0
230.14763	7.8
241.18118	2.2
254.17621	4.9
265.21716	5.3
272.18665	27.2
273.19037	2.3
283.19144	1.5
283.22446	0.8
308.22717	0.5
309.20718	4.2
310.20987	0.7
326.23355	13.6
327.23874	2.2
363.25323	0.5
406.29523	2.6
422.31464	0.5
424.30655	26.5
425.30853	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58804	0.7
70.59149	0.7
78.95909	13.7
84.64980	0.3
104.97457	0.7
110.98532	8.4
113.34195	0.3
152.99579	0.3
166.99712	0.4
167.01147	12.1
185.02118	2.4
255.23294	100.0
256.23651	10.3
423.25165	17.1
424.25516	2.5
438.39734	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	423.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97340	0.6
59.01380	100.0
60.01715	1.2
61.38139	0.5
61.98820	0.9
69.34201	6.2
70.28716	0.6
71.01366	3.3
73.02948	0.8
76.14313	0.6
76.31242	0.5
85.02925	0.7
98.60347	0.6
99.92568	0.7
101.02504	1.5
101.47923	0.5
109.02956	1.3
109.06606	1.4
113.02442	1.4
114.09145	0.6
115.07658	3.9
126.26544	0.7
132.02232	1.0
133.02983	0.9
150.03232	1.1
153.01959	1.4
156.10355	2.6
158.11890	2.5
160.01677	3.3
161.02486	2.4
161.04645	1.0
167.14421	4.1
175.03996	4.9
203.07253	0.7
211.13290	3.0
229.14429	3.3
241.18036	5.6
265.18155	0.8
283.19177	3.8
287.22290	0.8
308.22488	0.8
381.22958	1.2
423.24118	1.9
423.28934	1.4
424.30502	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	423.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93056	0.5
55.01864	0.5
56.28265	0.6
59.01381	100.0
60.01725	1.2
61.98829	0.6
68.26611	0.5
71.01386	2.6
71.63312	0.6
72.99315	0.6
73.02943	1.1
73.44653	0.5
84.18927	0.5
85.02962	0.7
101.02461	2.3
103.57578	0.5
113.02442	0.8
115.07652	3.1
133.03032	0.6
153.95654	0.5
156.10309	1.5
158.11909	1.8
161.02498	1.3
161.04608	0.8
167.14410	3.3
171.38860	0.5
174.59343	0.7
211.13344	3.4
219.17624	0.7
229.14421	3.2
241.18109	6.0
265.18155	1.2
283.19122	4.5
326.23306	0.6
381.23016	1.2
423.33188	1.3
424.30533	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	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53599	1.0
55.01881	6.5
57.03435	5.5
58.00582	2.4
59.01382	45.3
62.46689	1.0
69.03461	0.9
71.01385	77.6
72.01705	1.8
72.99303	4.0
73.02949	40.0
74.03288	1.1
75.00864	2.1
81.03440	1.9
83.01392	14.4
85.02953	40.8
86.00093	1.5
87.00858	3.7
89.02450	15.5
89.03027	1.2
89.03126	0.8
95.01389	6.3
97.02934	4.2
99.00883	14.8
101.02444	76.2
102.02776	2.2
102.30795	1.0
105.51521	1.2
109.02941	2.3
111.00857	1.8
113.02454	27.9
114.02755	1.4
115.04016	3.1
117.03471	8.1
119.04996	2.4
125.02402	5.5
129.01898	1.8
129.12817	1.0
131.03473	3.0
133.02953	3.1
135.04527	6.6
143.03482	5.8
145.02950	26.7
146.03264	1.2
149.04512	2.2
159.03012	6.6
159.04163	1.4
161.02509	6.4
161.04550	30.6
163.03981	1.4
175.59708	1.1
175.96762	1.2
179.03479	2.8
187.03986	2.9
188.54686	1.2
205.03520	1.1
216.43594	1.0
233.06621	3.6
291.18137	100.0
292.18457	10.9
423.16782	7.8
423.22281	98.0
424.22577	11.4
447.28162	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	423.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
58.48079	1.1
59.01382	100.0
60.01724	1.1
61.98837	14.7
71.01382	19.6
71.05010	2.0
72.99308	3.0
73.02956	2.7
74.60316	1.1
74.99121	1.2
75.00881	2.7
78.91880	1.2
78.95914	9.2
80.91683	5.7
81.03430	1.0
82.98534	1.2
83.01366	1.5
85.02966	6.7
87.00901	1.8
87.04516	32.8
89.02451	15.2
93.03432	1.5
95.01401	1.9
96.96013	2.6
96.96967	14.5
97.02939	1.0
99.00874	1.4
101.02438	14.9
103.04094	1.1
112.04061	3.5
113.02444	10.0
115.03992	1.7
119.03535	7.2
119.05028	4.7
121.02946	1.8
123.04523	2.7
130.08716	1.3
133.23088	1.3
134.03743	1.2
135.04544	5.1
137.02470	1.2
139.11273	6.9
143.03526	1.6
143.07169	1.1
149.02481	6.2
150.03224	3.2
150.05598	3.0
152.01253	1.4
153.01971	1.2
154.05113	4.4
157.16344	1.0
161.02443	1.6
161.04555	4.7
163.04004	3.0
164.04770	5.9
165.05589	2.5
171.18700	1.1
172.06241	1.9
179.03448	2.1
179.05650	3.2
179.07179	3.0
183.10249	1.5
193.01445	2.1
193.39636	1.0
197.04662	1.2
200.99615	4.5
201.11327	53.6
202.11685	4.1
208.03732	7.0
223.06133	17.6
224.06429	1.9
225.11330	8.1
242.94824	2.7
243.12271	3.7
255.12413	1.2
261.09695	2.0
261.13312	1.2
267.11392	1.6
285.12415	2.2
291.14441	2.7
303.49579	1.0
311.10522	1.4
348.29449	1.2
360.15005	1.0
360.27997	1.1
363.16586	4.4
375.14429	1.7
423.01755	2.0
423.10001	1.4
423.18900	5.1
424.16263	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.8
59.01388	73.4
60.05043	9.1
61.98819	10.6
69.49010	44.6
69.49429	23.6
71.01381	42.1
72.99301	10.1
73.02985	13.3
77.77144	11.0
82.67197	8.5
85.02946	28.9
89.02441	12.5
96.96037	21.6
96.96992	13.0
99.00845	10.8
101.02460	14.6
111.08174	67.7
113.02425	19.8
145.02951	26.7
150.03229	10.8
155.70686	8.5
173.08167	66.7
200.70642	8.2
210.70641	9.6
249.06123	12.5
346.06598	11.0
361.43765	9.5
379.18903	10.4
387.16373	12.1
393.27222	10.0
423.14648	100.0
424.15518	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.8
59.01388	73.4
60.05043	9.1
61.98819	10.6
69.49010	44.6
69.49429	23.6
71.01381	42.1
72.99301	10.1
73.02985	13.3
77.77144	11.0
82.67197	8.5
85.02946	28.9
89.02441	12.5
96.96037	21.6
96.96992	13.0
99.00845	10.8
101.02460	14.6
111.08174	67.7
113.02425	19.8
145.02951	26.7
150.03229	10.8
155.70686	8.5
173.08167	66.7
200.70642	8.2
210.70641	9.6
249.06123	12.5
346.06598	11.0
361.43765	9.5
379.18903	10.4
387.16373	12.1
393.27222	10.0
423.14648	100.0
424.15518	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	423.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75878	3.6
59.01385	100.0
60.97359	4.2
61.98828	13.0
69.74380	25.8
71.01380	25.0
72.99312	5.9
73.02949	11.0
77.08919	4.8
80.91683	99.0
83.01367	4.3
83.05000	4.2
85.02944	12.7
89.01979	4.1
89.02437	23.5
93.03441	7.3
97.06630	4.7
98.20593	6.9
101.02422	16.6
102.36642	3.7
113.02442	10.0
116.16529	4.2
119.03503	8.6
133.02960	6.7
135.04494	12.7
137.02415	12.1
139.04025	9.8
153.05530	5.4
161.02505	7.3
161.04541	9.0
162.85513	4.3
165.07498	4.2
179.03539	10.1
179.05489	5.6
198.95793	11.5
199.13530	4.0
201.11264	7.4
242.94815	61.2
243.12317	11.7
243.95117	4.5
261.13361	14.3
303.14322	5.3
363.16360	5.8
379.43604	3.9
387.12967	10.4
391.80136	4.4
423.01254	23.6
423.10437	13.5
423.18011	37.3
424.17374	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52380	5.4
59.01385	57.8
61.88236	4.7
61.98822	11.3
67.38435	5.5
67.76962	5.0
69.91853	31.2
71.01380	47.7
72.99306	6.5
73.02955	11.5
74.60374	4.3
75.00885	10.1
83.01393	7.8
84.54850	5.2
85.02972	14.0
89.02440	17.1
93.02911	7.9
93.03462	75.8
101.02434	33.7
108.02156	15.3
109.02962	13.8
113.02444	22.8
119.03569	6.0
119.04962	5.7
123.04520	8.9
125.09694	12.2
131.03476	4.7
133.02904	9.7
135.04561	26.8
137.02438	100.0
138.02882	6.1
139.04047	5.2
145.02921	9.2
152.01160	16.2
155.10747	6.4
161.02452	24.5
161.04541	16.2
165.01952	8.3
173.11850	7.5
179.01311	5.1
179.03502	9.9
179.05574	8.5
186.95721	6.1
187.09680	8.3
220.22974	4.7
221.06653	7.7
260.09280	9.6
261.09589	15.9
285.04141	7.5
315.06927	12.4
423.18460	53.3
424.18591	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	423.1661
Annotation	Grandidentatin
Peak:m/z	Relative Intensity
54.52962	0.2
57.03458	0.2
59.01381	6.5
59.16533	0.3
64.35019	0.2
66.03481	0.8
67.24539	0.2
68.99818	0.7
71.01380	1.8
72.06522	0.3
72.99307	1.9
73.02953	0.8
75.34103	0.2
83.01385	0.4
83.61063	0.2
85.02950	0.7
98.19865	0.9
101.02451	1.4
102.80155	0.3
105.34698	0.3
109.02948	1.1
113.02467	0.7
115.05603	0.4
117.03468	31.4
118.03752	1.2
119.05029	8.8
119.05882	0.3
120.05358	0.3
121.02975	1.0
133.02937	1.7
134.03625	0.3
135.04555	1.3
143.05026	5.0
144.05360	0.6
145.02953	100.0
146.03291	5.9
147.04524	1.0
161.02452	4.0
161.04587	0.4
161.06047	0.4
163.04016	7.3
164.04428	0.4
179.03493	0.7
181.12428	0.5
187.03998	8.4
188.04355	0.4
188.07172	0.4
200.07150	0.5
203.03551	0.3
225.11281	1.4
229.46037	0.3
235.11897	1.1
240.59981	0.2
262.07181	2.1
267.06744	0.4
269.08237	0.7
272.99612	0.3
275.09308	0.4
295.87186	0.3
311.05551	0.4
313.07199	0.3
327.14508	0.4
339.05588	0.3
363.14423	0.6
387.16772	0.9
406.95691	0.2
423.16605	28.0
424.16928	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	423.1661
Annotation	Grandidentatin
Peak:m/z	Relative Intensity
54.42520	0.4
55.01861	0.8
59.01381	11.2
61.98824	1.0
66.31713	0.4
68.99828	2.5
69.48219	2.8
71.01382	3.7
72.99314	1.9
73.02938	1.3
73.06608	0.4
79.14495	0.4
83.01406	0.7
85.02950	1.9
89.02468	0.6
93.03480	0.7
101.02449	3.2
109.02948	1.2
113.02451	1.6
115.05573	1.0
117.03468	27.3
118.03815	1.3
119.05029	13.9
120.05338	0.7
121.02962	1.0
125.02515	0.5
133.02956	1.8
135.04544	5.4
137.02451	0.4
143.05026	16.9
144.05363	1.2
145.02951	100.0
146.03290	5.3
147.04507	1.0
151.04001	0.6
157.06569	0.4
159.04495	0.5
161.02454	6.0
161.04536	1.0
161.06032	0.9
162.02863	1.0
163.04013	8.5
164.04446	0.4
176.03539	1.3
179.03481	1.9
185.78137	0.4
187.03995	27.7
188.04318	1.3
197.04529	0.8
205.05099	0.9
235.11853	2.2
261.18436	0.6
303.10797	0.6
313.07199	0.6
339.04974	0.8
363.14413	5.5
381.15454	2.4
423.16614	37.9
423.23236	1.6
424.17041	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	423.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25249	0.3
56.33058	0.4
59.01381	11.6
61.98825	1.1
62.54314	0.4
66.03491	0.5
68.01011	0.4
71.01390	2.7
72.99312	1.1
73.02946	1.2
77.24059	0.3
78.91846	0.4
81.31617	0.4
83.01403	0.5
85.02952	1.2
89.02481	0.6
89.51950	0.3
99.00941	0.4
101.02439	2.6
104.68925	0.4
109.02955	3.6
113.02441	0.9
115.05507	0.5
117.03470	27.7
118.03799	0.8
119.05029	7.9
121.02969	1.4
133.02965	2.1
134.03729	0.5
135.04523	5.3
137.02414	0.4
143.05011	5.0
145.02954	100.0
146.03275	5.7
147.04515	3.9
149.02473	0.8
153.97847	0.4
159.04510	1.8
161.02454	5.4
161.04601	0.7
162.03015	0.5
163.04018	7.9
174.03140	0.4
179.03517	2.4
181.12389	0.7
187.02290	0.5
187.04008	7.9
188.04311	0.6
197.04582	0.4
203.03458	0.8
225.11317	2.0
229.01389	1.0
235.11946	0.8
262.07196	1.6
267.06631	1.3
269.08093	1.8
283.05984	0.4
291.18155	1.6
311.05655	1.3
313.07233	1.1
321.19229	0.6
331.08542	0.4
339.05267	0.8
387.16629	1.7
423.16623	29.0
424.17007	4.5
445.09201	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	423.1663
Annotation	Grandidentatin
Peak:m/z	Relative Intensity
52.22972	0.3
59.01383	9.9
63.31502	0.4
64.03502	0.3
68.99816	2.8
69.53754	2.7
71.01385	2.3
71.04991	0.3
72.99299	0.4
73.02958	1.0
76.17207	0.3
77.51678	0.3
83.01389	0.9
85.02956	1.8
93.03471	0.4
101.02441	2.7
109.02961	1.1
113.02478	1.0
113.39934	0.3
115.05540	1.1
117.03467	28.9
118.03816	1.5
119.05023	14.1
119.05887	0.4
120.05376	0.7
120.08192	0.6
121.02934	0.5
133.02899	0.7
135.04533	1.5
143.05025	22.0
143.43138	0.3
144.05356	0.8
145.02954	100.0
146.03284	4.8
147.04515	1.2
149.02403	0.4
151.63591	0.4
159.04469	1.0
161.02455	1.6
161.04665	0.6
161.06082	1.1
163.04022	8.4
176.05000	0.3
177.01974	0.9
179.03505	0.6
187.04016	33.5
188.04330	2.5
205.05006	0.7
209.94925	0.3
226.33525	0.3
235.11864	2.7
244.44498	0.4
269.08215	0.5
286.31784	0.4
363.14548	5.7
364.14774	0.5
381.15536	3.3
389.90015	0.3
423.16599	36.6
424.16940	5.4
445.21225	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	423.1662
Annotation	Grandidentatin
Peak:m/z	Relative Intensity
58.62825	0.5
59.01383	13.2
60.77753	0.5
61.98823	1.5
68.99812	2.4
69.35205	1.3
69.35623	3.7
71.01373	4.5
72.99321	1.7
73.02939	1.8
79.95733	0.6
83.01376	1.3
85.02949	2.0
87.00883	0.8
88.40958	0.5
89.02447	1.0
91.91190	0.5
95.01373	0.6
99.00893	1.0
101.02443	2.9
109.02966	1.9
113.02466	2.0
117.03468	27.6
118.03791	1.3
119.05020	13.6
120.05399	1.0
121.02966	1.3
123.04541	1.2
133.02962	3.7
134.03717	1.0
135.04553	8.3
136.04822	0.9
137.02429	1.0
143.05025	18.5
144.05341	1.2
145.02953	100.0
146.03276	5.6
147.04520	1.1
151.04005	0.8
159.04477	0.7
161.02441	10.5
161.04552	1.3
161.06067	1.5
162.02852	0.8
163.04007	9.2
164.04324	0.9
165.01849	0.6
175.77362	0.5
176.03604	1.1
177.01930	0.5
179.03493	4.3
187.03999	31.7
188.04347	1.9
197.04431	1.1
205.05156	0.8
235.11775	3.0
240.04337	0.7
241.05057	1.2
261.18558	0.6
267.06708	1.4
297.71405	0.5
311.05765	0.7
339.05084	0.7
348.84518	0.6
363.14496	4.5
381.15594	3.7
423.16623	39.8
423.23599	4.1
423.28894	1.2
424.17111	6.5
424.23782	0.9
437.08731	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	423.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98808	21.2
67.16425	8.2
69.73439	15.4
69.73849	28.9
71.01383	49.3
72.99337	9.4
73.02946	16.0
75.00880	10.7
78.59254	7.8
89.02432	15.9
99.00826	9.1
101.02431	25.8
111.08157	38.7
113.02482	14.0
117.03453	16.1
118.98123	17.6
119.33468	8.3
145.02942	48.6
146.08249	13.9
161.02432	10.7
163.02737	8.1
163.04156	10.0
165.22391	7.2
173.08192	27.6
180.77048	7.6
243.12361	13.2
354.50009	8.9
379.18576	28.1
387.16522	55.7
423.14597	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63065	1.6
59.01383	100.0
60.01705	1.9
61.98840	2.6
71.63115	2.7
72.99302	2.0
84.67709	1.6
97.02950	3.9
135.04527	1.9
160.01694	1.9
161.02458	3.9
175.04071	2.3
176.53621	1.4
423.16034	3.8
423.33163	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	422.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16247	0.5
59.01387	7.8
61.98833	100.0
70.46557	0.5
71.01382	4.0
72.99313	0.7
73.02947	0.8
75.00887	0.6
81.03452	2.5
83.05062	0.6
83.67588	0.5
85.02995	1.2
89.02482	2.5
95.05005	0.5
98.20631	1.2
101.02469	1.9
109.06557	0.9
113.02475	1.0
115.03967	0.7
115.92074	0.7
119.03551	1.0
119.05091	0.5
123.04533	4.6
128.03534	0.6
130.32246	0.5
161.04555	0.8
167.03571	0.8
173.08182	0.7
211.02629	1.1
217.61479	0.5
243.12502	0.5
285.12439	0.8
289.05460	0.6
357.13034	0.5
363.16724	1.6
422.20477	3.3
423.18619	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	422.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98830	0.2
62.82082	0.2
71.01382	1.4
71.64675	0.2
71.65368	0.2
73.02954	0.4
82.96389	0.2
83.01382	0.3
85.02956	0.6
87.59126	0.2
89.02441	0.6
99.00873	0.3
101.02438	1.1
108.02170	1.0
109.02967	0.3
113.02468	0.6
119.03516	0.3
120.04597	0.4
122.06173	0.3
135.04547	0.3
149.02449	0.4
161.04594	0.4
172.05267	0.4
187.06113	0.3
187.07648	3.6
188.07968	0.3
201.07959	0.3
203.07170	0.4
214.05081	0.2
215.05772	1.4
228.06660	3.2
229.07423	22.0
230.08131	6.7
231.08554	0.4
231.58212	0.2
242.08261	1.7
243.08505	0.2
258.07770	0.2
259.08405	0.7
260.09265	100.0
261.09613	9.8
261.13531	0.4
269.07214	0.2
352.95978	0.2
406.21909	0.2
409.26910	0.2
422.14539	10.4
423.14368	1.4
423.19766	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	422.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.9
61.98827	17.0
64.44041	0.7
69.41805	0.8
69.42043	2.3
69.42464	4.6
72.99307	13.9
85.93533	0.7
98.20696	1.0
104.34723	0.7
111.59038	0.9
123.04535	6.2
125.57288	0.7
130.51103	0.9
133.02948	16.4
134.03281	0.8
135.04523	14.3
135.05467	1.1
151.03989	0.9
161.02443	100.0
162.02760	6.6
177.11127	0.8
179.03468	13.3
197.04543	22.1
198.04831	2.0
359.07693	20.9
360.08014	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98780	0.6
63.66082	0.5
69.06024	0.5
69.22984	0.5
69.94212	3.0
78.95903	31.4
91.01031	0.7
96.38485	0.6
98.19955	0.7
110.98532	52.4
152.99570	4.6
167.01216	1.3
185.02194	100.0
186.02545	2.2
193.14220	0.5
253.21712	27.3
254.22113	3.6
313.72180	0.6
318.03247	0.6
343.25360	0.6
421.23679	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	421.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03458	2.5
58.00594	1.9
59.01381	56.3
59.65770	0.9
60.01728	0.9
61.98846	2.3
65.71889	0.8
69.02364	0.9
71.01385	47.7
71.05030	1.2
72.01705	1.2
72.99326	2.7
73.02955	6.2
75.00876	1.6
81.73144	0.8
83.01418	3.1
85.02953	8.5
85.06612	1.7
87.00880	1.9
89.02444	22.7
95.01399	1.1
99.00911	2.1
99.92608	1.4
101.02446	19.2
101.03065	1.3
101.52853	0.8
108.02179	3.9
109.03019	1.3
113.02452	9.4
113.06189	0.9
115.92099	2.4
116.92862	12.3
117.92933	1.1
119.03493	6.2
123.04578	1.4
123.08234	1.0
131.03575	1.1
135.04546	1.3
143.03583	1.2
143.10831	2.2
152.01234	1.8
159.02994	0.9
161.02451	1.0
161.04605	2.9
167.07187	1.0
169.37495	0.8
179.05676	2.8
197.11963	2.7
211.52594	1.0
215.12849	7.1
241.10889	2.4
241.14423	1.3
260.09406	1.1
321.42484	0.9
359.17270	1.5
377.18155	100.0
378.18457	11.5
403.19507	3.8
421.11386	1.4
421.21072	49.4
422.21249	6.1
440.02411	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47783	0.8
55.01875	1.7
57.03453	6.4
58.00588	1.5
59.01381	47.3
61.98820	6.6
62.99921	0.9
65.25545	0.9
70.02972	2.3
71.01384	26.5
71.05013	4.3
71.66203	1.3
72.99312	1.6
73.02950	5.3
75.00865	1.1
83.01392	3.8
85.02953	8.1
85.06588	5.0
87.00887	1.3
87.05656	1.4
89.02449	15.1
93.03447	1.8
95.01399	1.2
97.06579	1.1
99.00895	6.2
99.04516	2.4
100.78752	0.9
101.01768	1.4
101.02442	27.1
109.02937	1.2
111.08194	2.2
113.02444	9.8
119.03513	5.1
129.01953	1.3
129.05650	1.0
130.03371	1.1
135.04552	1.8
137.02454	3.9
146.08226	16.7
147.04523	1.1
148.04842	1.2
149.02431	1.7
161.02458	1.4
161.04593	1.2
169.12329	1.2
171.13895	3.2
174.01627	0.8
179.05573	0.9
197.11880	1.1
208.03769	2.0
215.12877	13.7
217.11980	4.9
223.06061	4.2
241.14456	6.5
259.11877	1.2
261.37241	0.9
270.08548	1.5
277.12289	24.7
278.12680	2.1
314.07455	1.3
358.06741	1.2
385.11365	1.5
421.20856	100.0
422.16263	1.7
422.21188	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	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47403	0.8
55.01875	2.5
57.02262	0.9
57.03454	3.1
58.00599	2.3
59.01383	69.4
60.01712	1.0
61.98833	2.3
65.95789	0.9
71.01385	50.1
71.05047	1.1
72.01728	1.0
72.99323	3.5
73.02946	5.6
80.79966	0.8
83.01386	5.9
83.05054	1.1
85.02952	9.6
85.06600	1.5
87.00881	2.3
89.02445	20.6
95.01393	2.3
99.00909	2.6
99.92620	3.5
101.02454	23.5
101.03075	1.8
108.02180	9.5
109.02480	2.9
109.03112	1.1
113.02453	11.9
115.92089	7.7
116.92867	32.8
117.92907	2.0
119.03503	5.7
123.04485	2.1
135.04593	1.1
138.05739	1.1
143.10800	3.1
152.01222	4.9
153.01643	2.1
154.02242	1.1
161.04633	2.3
164.62291	0.9
179.05667	2.0
179.10962	1.3
197.11919	2.5
215.12862	8.3
241.10773	1.8
241.14738	1.5
244.79002	1.0
259.12283	0.9
317.03391	1.2
359.17221	3.2
377.18170	100.0
378.18466	11.2
378.22421	1.2
403.19702	4.3
421.04572	2.5
421.09869	9.6
421.21021	57.0
422.21414	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
57.03461	5.3
58.00590	2.3
59.01384	43.6
60.01706	1.4
61.98826	6.2
62.15218	1.2
67.07087	1.1
69.71575	4.5
69.71981	1.6
70.02987	3.3
71.01382	24.7
71.05014	6.1
72.99308	2.2
73.02940	4.9
73.62230	1.0
77.56588	0.9
83.01406	4.0
85.02949	8.8
85.06594	4.4
87.00880	1.2
87.05634	1.4
89.02449	13.9
93.03449	1.3
95.01394	2.0
97.06566	1.9
99.00884	6.4
99.04523	2.4
101.02442	23.0
111.08186	1.9
113.02459	8.4
116.07241	1.2
119.03494	6.0
130.03304	2.7
135.04559	1.5
137.02448	2.8
146.08240	24.9
147.05855	1.1
161.04567	1.4
169.12329	1.2
171.13892	1.9
197.15295	1.2
208.03714	1.9
215.12881	13.2
217.11977	5.3
223.06142	3.8
241.14459	7.8
270.08432	1.4
277.12274	29.9
278.12500	2.9
358.06601	1.2
421.20853	100.0
422.21313	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	420.2752
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
50.71548	0.3
59.01378	0.8
61.98841	0.4
70.50642	0.3
71.62647	0.3
72.99318	0.3
81.17278	0.3
93.03460	1.0
93.95857	0.3
108.02135	0.3
109.02965	0.5
121.02954	100.0
122.03301	4.9
133.02963	0.7
135.04521	0.8
149.02426	1.0
158.04886	0.3
161.02431	3.3
162.02797	0.9
163.07622	0.5
165.01988	0.3
173.15984	0.2
177.59067	0.3
179.03497	0.5
191.07149	0.7
207.50101	0.3
217.05087	0.4
267.06683	0.3
277.91907	0.3
329.20486	0.3
342.47433	0.4
371.64120	0.4
380.58051	0.3
406.19876	0.7
420.27539	53.3
421.22314	0.9
421.27789	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	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60793	0.7
59.01381	14.9
60.09765	0.7
61.98820	2.1
62.92147	0.7
71.01373	9.1
71.62392	0.8
72.99294	1.6
73.02943	2.8
74.35379	0.7
83.01401	1.8
83.05034	0.8
85.02959	3.5
87.00871	1.4
89.02458	2.9
90.19657	0.7
93.03458	22.2
101.02431	7.5
113.02460	3.7
119.05048	0.7
121.02969	12.6
123.08155	1.0
131.07051	0.7
133.02957	0.9
135.03003	0.8
135.04514	2.5
136.01642	1.3
137.02448	35.9
138.02740	1.2
139.04013	100.0
140.04311	5.0
151.04012	1.0
161.02428	3.0
165.02005	1.1
179.03506	1.2
182.00508	0.9
237.77542	0.7
242.08252	2.8
244.00227	0.8
259.02838	2.5
260.09192	8.2
267.28079	0.7
281.06668	70.0
282.06982	5.1
377.08789	1.0
421.11945	4.6
421.16498	2.1
421.20712	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	420.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93084	1.0
57.99955	1.1
59.01385	8.9
61.98834	17.1
66.54888	1.0
69.58954	2.5
69.59362	4.5
71.01385	3.5
72.99310	1.7
85.56653	1.2
97.14713	1.1
98.19964	2.1
99.93050	1.0
108.02194	2.4
109.02950	24.1
109.03651	1.7
119.05025	4.9
121.02993	2.2
123.04530	2.4
126.19837	1.0
129.03471	7.6
130.04222	1.1
135.04547	2.4
145.02927	8.6
146.03738	6.8
147.04527	100.0
148.04884	5.6
149.97411	1.0
153.01924	1.4
158.03738	1.2
159.04527	16.2
180.04362	1.3
195.64973	1.0
209.08224	1.5
238.50075	1.0
267.58466	1.1
268.07428	1.0
269.08194	57.3
270.08502	5.8
313.07169	15.7
314.07422	3.1
420.14404	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	420.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64549	0.2
59.01376	0.8
61.98832	100.0
70.18610	0.2
83.93822	0.2
92.01210	0.2
109.02951	4.8
110.03175	0.2
129.03497	0.2
135.04553	0.3
146.03745	0.3
147.04529	2.3
159.04523	7.3
160.04895	0.5
229.42030	0.2
244.02222	0.2
257.45352	0.2
264.09839	0.2
269.08209	3.2
270.08597	0.4
284.61960	0.2
357.06247	0.6
420.06000	0.4
420.13983	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01714	1.0
61.98818	0.4
71.01401	0.6
75.87460	0.4
77.39192	0.4
88.94491	0.4
119.04962	0.6
119.42598	0.4
120.38605	0.5
164.07532	0.5
312.72754	0.5
317.19934	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	420.057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79596	2.0
59.01391	10.1
61.98832	77.7
71.01387	5.9
79.43180	2.1
84.38082	2.1
89.02446	4.2
98.20666	6.5
101.02441	5.6
108.02153	3.6
109.02956	100.0
110.03311	4.9
116.92887	2.9
123.04429	2.5
124.56541	2.1
129.03444	2.4
133.02950	5.0
135.04506	9.7
145.03021	2.6
145.19366	2.1
147.04494	6.9
159.04518	33.9
161.02411	4.8
175.03973	8.3
179.03531	3.1
179.52481	2.1
181.67064	2.2
203.03477	20.5
237.05457	2.7
251.07158	2.4
254.05695	4.0
267.06580	3.7
269.08179	44.1
270.08426	5.7
281.51086	2.3
287.43173	2.1
295.06079	3.5
313.07153	28.1
357.06152	64.3
358.06436	10.6
377.18134	5.0
421.20737	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96727	0.5
57.20203	0.5
59.01381	78.2
60.01707	1.1
64.23973	0.5
66.76008	0.5
70.65999	1.8
82.74342	0.5
87.04517	100.0
88.04863	2.2
93.26373	0.5
93.44138	0.5
104.86266	0.6
117.01097	0.6
140.35686	0.5
161.02434	0.6
297.92316	0.5
406.70111	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	419.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.1
60.01710	0.4
61.98827	0.7
63.21910	0.3
70.05491	0.3
71.01378	0.5
71.47771	0.3
72.99330	0.3
80.61561	0.3
80.98613	0.3
85.02932	0.4
87.04515	100.0
88.04841	2.6
101.02403	0.3
126.90526	0.7
135.04561	0.5
156.07042	0.3
161.02357	0.6
179.03380	0.5
238.15233	0.3
263.64627	0.3
284.20676	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	419.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60929	0.4
53.54311	0.5
56.47906	0.4
57.74911	0.5
59.01381	98.1
60.01723	1.3
69.45343	4.4
71.01390	2.8
73.02976	0.9
87.04513	100.0
88.04858	2.8
96.19266	0.5
101.02473	1.5
101.79694	0.5
113.02425	1.2
157.31241	0.5
258.19708	0.6
278.88403	0.5
307.17554	1.3
429.59360	0.6
444.08759	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	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01721	1.5
61.98831	3.6
69.00209	0.3
69.46585	2.5
71.01390	1.0
72.99304	0.6
73.02951	0.5
85.02969	0.6
87.00876	0.3
89.02461	0.8
93.03477	0.4
94.03835	0.3
101.02464	1.0
105.43815	0.3
109.03012	0.4
113.02475	0.5
119.05015	0.4
121.02949	0.4
123.04523	0.6
123.29208	0.3
125.02522	0.3
135.04541	1.6
137.02440	1.5
161.02467	0.8
161.04617	0.5
163.04054	0.6
179.03525	0.4
180.04283	0.6
195.06630	1.0
196.07019	0.6
197.07115	0.5
231.03004	0.6
257.48126	0.3
269.13947	0.3
357.06030	2.5
360.33847	0.3
419.08344	0.6
419.19470	1.0
421.59982	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	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01721	1.5
61.98831	3.6
69.00209	0.3
69.46585	2.5
71.01390	1.0
72.99304	0.6
73.02951	0.5
85.02969	0.6
87.00876	0.3
89.02461	0.8
93.03477	0.4
94.03835	0.3
101.02464	1.0
105.43815	0.3
109.03012	0.4
113.02475	0.5
119.05015	0.4
121.02949	0.4
123.04523	0.6
123.29208	0.3
125.02522	0.3
135.04541	1.6
137.02440	1.5
161.02467	0.8
161.04617	0.5
163.04054	0.6
179.03525	0.4
180.04283	0.6
195.06630	1.0
196.07019	0.6
197.07115	0.5
231.03004	0.6
257.48126	0.3
269.13947	0.3
357.06030	2.5
360.33847	0.3
419.08344	0.6
419.19470	1.0
421.59982	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01706	1.0
61.98841	1.4
67.61981	0.5
71.01379	3.1
71.62949	0.7
72.99312	1.2
73.02947	3.1
75.09447	0.5
85.02949	1.0
89.02474	1.8
93.13212	0.4
95.89213	0.5
99.92611	1.9
101.02450	3.0
109.02975	0.7
112.11974	0.5
113.02440	2.5
115.92083	0.9
116.92886	1.7
119.03544	1.1
120.04572	0.8
127.07633	0.8
135.04562	1.0
137.02489	0.8
143.03583	0.6
149.04547	0.6
159.03014	0.6
161.04573	1.9
162.05328	0.5
176.03737	0.5
177.02026	0.6
179.03545	0.8
193.05124	0.9
265.97675	0.8
278.98489	1.2
281.09360	1.0
354.42627	0.6
419.10880	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71413	1.0
53.19971	1.0
55.01875	1.1
57.03448	3.2
59.01382	100.0
61.98831	13.4
63.09026	0.9
71.01385	21.9
71.02551	2.3
72.99319	1.9
73.02945	5.6
75.00887	1.3
81.03462	4.7
83.01386	2.4
83.05009	1.2
85.02962	7.9
87.00901	2.2
89.02454	4.6
93.03447	1.1
95.01392	1.5
95.05038	2.4
99.00896	2.5
99.04536	5.1
101.02450	14.1
109.02966	9.4
113.02452	8.9
119.03526	2.6
121.06571	2.0
123.04533	1.9
135.04514	1.6
137.09631	1.0
138.01385	0.9
143.03525	2.0
151.11258	1.7
159.02985	2.3
159.04520	2.9
161.04565	32.3
161.09726	8.2
162.04860	1.4
163.04037	1.2
164.08380	1.7
167.03564	1.0
175.03957	1.0
179.03560	0.9
179.05640	2.1
179.10780	41.3
180.11098	2.7
190.24034	0.9
197.04552	1.1
197.08224	1.9
203.03479	2.1
205.03595	1.2
257.10196	1.3
269.08270	4.3
313.07178	3.8
334.01532	0.9
341.15939	2.1
357.06122	6.2
369.48538	0.8
387.50027	0.9
419.15115	2.4
419.19897	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	419.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96158	0.3
52.27368	0.2
59.01387	2.6
61.98822	0.6
62.13006	0.2
65.03957	0.4
69.53972	0.6
69.54377	1.5
71.01385	1.0
72.99322	0.3
73.02938	0.5
83.07677	0.3
89.02457	0.4
93.03460	63.7
94.03792	1.5
97.02930	0.3
98.19897	0.6
101.02451	0.8
106.04207	0.5
107.05032	1.0
113.02442	0.8
119.05009	0.5
135.04533	0.9
137.02448	100.0
138.02789	5.0
161.02446	1.1
179.03534	0.5
213.09219	1.5
281.06674	3.3
382.42368	0.3
389.12698	0.3
419.13376	2.4
419.22339	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	419.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.9
60.01694	0.2
61.01808	0.2
61.98830	1.2
65.03957	0.3
69.48244	0.5
69.48653	1.3
71.01376	1.9
72.99306	0.4
73.02947	0.6
75.24762	0.2
79.44294	0.3
83.01379	0.3
85.02952	0.9
89.02470	0.3
93.03459	56.2
94.03803	1.8
96.99309	0.3
98.20625	0.4
101.02462	1.4
113.02450	0.6
133.02917	0.4
135.04533	1.0
137.02448	100.0
138.02774	4.5
142.43025	0.3
161.02451	1.0
162.02834	0.2
163.04080	0.3
179.03493	0.6
228.67752	0.2
281.06668	4.1
282.07230	0.4
320.85739	0.3
357.06195	1.0
401.21704	0.2
419.09708	0.3
419.21716	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	419.0984
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
55.01865	0.5
56.24905	0.3
59.01378	7.8
61.79782	0.4
63.64524	0.3
65.03969	0.3
68.99814	0.5
71.01384	4.5
73.02941	1.3
83.01395	1.0
85.02942	1.4
87.39584	0.3
89.02443	0.8
92.02704	0.4
93.03458	87.5
94.03786	3.0
95.01367	0.7
96.99319	0.8
97.02941	0.4
99.00838	0.3
101.02437	4.3
108.02174	0.6
113.02442	2.1
120.65634	0.4
121.02936	1.1
135.04549	0.6
136.01636	1.3
137.02446	100.0
138.02786	4.9
147.04550	0.6
151.03999	0.5
161.04440	0.3
177.05597	0.3
179.03494	0.7
191.03453	0.7
216.21257	0.3
221.04445	0.7
281.06668	42.5
282.06979	4.2
419.09811	26.9
420.10193	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	419.0983
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
55.40860	0.3
56.32216	0.3
59.01383	2.2
61.98825	1.4
69.37502	2.8
71.01395	0.4
74.66843	0.3
81.03461	0.7
82.61341	0.3
85.02959	0.7
93.03467	1.3
95.01414	0.4
98.20649	0.5
108.02178	100.0
109.03008	13.4
119.05078	0.7
121.02950	4.1
123.00893	0.5
123.04539	0.9
132.75392	0.3
133.02943	0.7
133.19412	0.3
134.03745	0.4
135.00906	0.4
135.04529	1.0
137.02444	1.3
142.17448	0.4
151.04021	2.2
152.01157	52.5
153.01950	17.0
154.02249	0.6
161.02451	0.7
163.04012	2.2
165.01913	0.6
179.03502	0.5
192.10007	0.3
219.70416	0.4
225.04019	0.5
281.75055	0.4
297.06104	0.5
318.23108	0.3
353.90750	0.3
419.09827	53.4
420.10175	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	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15724	1.0
53.64442	0.8
59.01382	36.4
60.01729	0.8
61.98833	100.0
62.78173	0.8
71.01385	5.3
72.99313	1.6
73.02944	3.1
83.01408	1.5
85.02957	2.6
89.02460	1.8
93.03447	1.4
94.59566	0.8
98.19893	2.2
101.02446	4.0
102.02812	0.9
109.02978	1.2
113.02443	2.4
113.04170	0.9
118.36633	1.0
135.02971	0.9
135.04536	1.8
137.02431	1.8
152.01250	1.4
153.01884	1.2
160.04073	1.3
161.04550	2.5
236.05563	1.3
269.10315	3.3
329.31219	1.2
358.15738	1.2
418.17932	3.5
419.18954	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	419.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06513	0.3
59.01377	4.2
61.98831	0.6
65.03968	0.4
66.08971	0.3
69.84719	1.5
70.25028	0.3
71.01391	0.4
73.02951	0.5
79.49662	0.3
85.02930	0.4
93.03458	54.0
94.03830	2.1
94.04348	0.3
99.28674	0.4
135.04526	0.7
137.02444	100.0
138.02785	4.6
151.62988	0.3
161.02452	0.5
193.73897	0.3
205.26344	0.3
275.83511	0.3
290.81836	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	418.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14553	0.7
57.03441	0.9
59.01382	16.6
60.01730	1.0
61.98832	100.0
63.24517	0.7
65.39464	0.6
69.21569	0.7
69.73367	4.5
71.01385	8.8
72.99313	3.9
73.02959	1.8
75.00885	2.7
83.01414	1.0
85.02970	2.0
89.02454	3.7
89.26673	0.8
90.35032	0.7
93.03470	0.9
95.01415	1.3
99.92508	0.9
101.02430	3.6
109.02978	1.3
110.03326	0.9
113.02470	2.7
118.26496	0.7
119.03534	1.8
122.03316	0.8
135.03001	3.2
135.04567	2.2
139.07709	2.0
139.38799	0.7
143.03500	0.9
152.01187	1.1
161.04538	4.5
162.04939	0.9
163.03993	0.8
165.09236	1.0
168.28653	0.8
175.48779	0.9
179.05551	0.9
186.56656	0.7
239.13000	1.9
276.16516	0.8
306.07520	0.8
311.05710	1.8
355.05606	0.8
358.16077	1.4
418.13678	2.6
419.19760	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	418.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.4
57.03443	2.7
58.00586	1.8
59.01381	67.4
59.70290	1.2
60.01711	1.7
61.98827	13.0
65.41075	1.2
69.03454	1.3
69.36884	7.9
69.37301	4.0
70.33321	1.4
71.01384	66.5
72.01698	3.3
72.99317	4.5
73.02943	14.3
74.02422	1.2
83.01392	6.9
85.02953	28.4
86.03284	1.9
87.00861	2.8
89.02444	31.2
89.28456	1.2
95.01374	4.1
99.00896	7.2
101.02444	43.4
102.02768	3.6
111.00887	1.8
113.02460	28.0
114.02822	1.4
119.03498	9.5
121.31831	1.2
125.02433	1.5
129.01961	1.4
132.02184	1.5
133.02972	11.5
134.06068	1.9
135.04518	4.5
136.68385	1.4
137.02449	20.2
139.00374	2.0
143.03535	2.7
157.80905	1.8
159.02953	4.3
161.02455	49.9
161.04532	25.8
162.02716	3.0
162.04906	3.2
163.00272	1.5
164.01166	6.5
165.01939	19.7
179.03459	2.3
179.05638	3.1
193.01416	100.0
194.01775	7.5
244.43536	1.2
343.40277	1.5
355.04675	2.1
357.13992	1.9
359.20731	1.3
417.20642	4.6
417.25574	16.1
418.20511	2.3
418.25934	10.2
419.22784	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	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03436	0.9
58.00601	1.3
59.01384	34.8
60.01719	0.5
61.98829	1.1
65.73903	0.4
68.87839	0.4
71.01387	22.1
72.01748	0.8
72.99316	2.9
73.02953	3.3
83.01390	2.7
83.05048	0.5
85.02956	7.3
86.03236	0.4
87.00887	1.7
89.02448	13.5
93.03463	9.6
94.03781	0.6
95.01382	2.9
98.20656	1.0
99.00883	1.0
101.02448	15.6
102.02764	0.6
107.05022	0.6
109.02966	0.5
111.00903	0.5
113.02460	6.7
114.02825	0.6
119.03512	5.1
123.04551	0.6
127.07663	0.7
133.02966	0.6
134.03787	3.0
135.04529	77.0
136.01645	0.8
136.04843	3.2
137.02452	19.7
138.02811	1.0
143.03543	0.7
150.03194	0.5
161.02434	1.6
161.04596	0.8
175.14932	1.1
179.03526	1.0
193.16008	2.7
207.13858	1.4
219.13945	1.6
225.15007	1.3
237.14963	17.0
238.15352	1.4
255.16026	16.1
256.16391	1.3
281.06674	31.1
282.07065	2.6
294.39572	0.5
417.21280	100.0
418.21622	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	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89373	0.5
55.01879	1.1
57.03444	1.2
58.00582	1.1
59.01382	48.3
60.01698	1.0
61.98840	5.4
67.53024	0.5
71.01385	23.0
71.66409	0.6
72.99302	3.9
73.02950	5.2
75.00877	0.6
81.03456	0.7
83.01385	3.4
85.02952	6.5
87.00873	1.0
89.02444	13.5
93.03468	3.6
95.01361	2.2
95.04994	0.6
99.00861	1.3
101.02445	13.2
102.02757	0.8
106.15487	0.6
108.02180	4.3
109.02953	4.1
113.02453	9.3
117.03452	0.7
119.03506	3.8
121.02916	1.0
123.04523	1.3
133.02966	3.3
134.03783	1.0
135.04536	7.6
136.01651	2.3
137.02460	7.3
143.03465	1.1
145.02939	2.6
147.04517	1.0
149.02394	0.7
150.03140	0.7
151.00302	0.8
151.04012	2.1
152.01149	4.1
153.01880	2.0
159.04480	1.7
161.02472	7.3
161.04550	2.4
163.03940	0.9
165.05553	0.8
167.03461	1.3
175.04002	1.3
175.14882	1.0
179.03500	2.2
181.05011	0.9
197.04538	1.4
207.13956	0.7
217.01324	0.9
219.13899	4.0
225.14882	4.2
237.14923	10.1
238.15375	1.0
255.11662	0.7
255.16005	16.0
255.18486	1.2
256.16296	2.0
267.06604	1.7
269.08041	0.7
285.04056	10.2
286.04321	1.2
291.67892	0.6
297.12433	2.4
309.08664	1.0
327.12323	1.7
341.11438	1.7
343.21033	1.0
357.19324	0.6
358.37964	0.7
367.90707	0.7
385.10638	0.7
399.20160	1.7
404.94089	0.6
417.08667	8.0
417.21268	100.0
418.08679	1.3
418.21609	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
56.11063	1.0
57.03453	2.6
59.01382	70.3
61.98819	2.3
65.13069	0.9
71.01385	30.0
71.66064	1.8
72.99319	2.9
73.02946	9.1
73.50986	1.1
83.01388	3.8
85.02959	12.8
85.06628	1.0
86.00121	1.5
87.00864	4.4
87.04514	1.2
89.02453	5.7
95.01378	3.3
99.00879	3.7
101.02448	19.3
109.02967	1.7
113.02450	9.7
116.50272	1.2
119.03513	1.6
121.02963	6.9
125.09721	1.6
133.02956	3.8
135.04524	8.4
136.04872	1.5
141.09222	2.0
143.10760	1.7
149.02473	2.2
161.02448	12.5
161.04530	4.7
162.02800	1.1
165.01935	4.6
179.03491	4.5
193.16017	2.5
197.04611	1.3
200.17337	1.4
207.02910	1.5
237.15054	1.5
255.16017	4.8
267.06616	1.7
334.57605	1.1
387.79364	1.3
417.21326	100.0
417.25980	3.5
418.21576	15.3
418.26904	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	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	1.5
60.50628	0.1
60.73502	0.1
62.48792	0.1
69.34956	1.3
71.01397	0.3
73.02935	0.1
74.39217	0.1
96.53516	0.1
101.02483	0.2
103.22718	0.1
113.02415	0.3
125.37040	0.1
135.04564	0.2
137.02515	0.2
161.02460	0.2
162.76434	0.1
179.03749	0.2
296.96594	0.1
347.08075	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	417.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37854	0.7
59.01393	4.1
69.34052	8.2
78.95907	5.3
85.02942	1.3
93.05172	0.9
104.93776	0.9
110.98531	3.8
117.02814	0.8
121.02976	4.2
156.16104	0.8
167.01152	1.5
185.02202	5.0
205.19585	1.3
249.18585	100.0
250.18922	9.5
315.28442	0.9
417.09955	1.1
417.20667	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
56.38375	0.5
57.03464	1.0
58.00608	0.8
58.42459	0.5
59.01383	100.0
60.01702	1.0
61.98840	2.3
69.50135	4.5
71.01385	21.3
72.99328	2.6
73.02955	3.9
75.00882	0.9
83.01418	2.0
85.02952	6.2
87.00906	1.4
89.02449	17.5
89.02985	1.0
95.01427	1.5
99.00924	1.5
101.02448	14.8
108.02191	1.1
113.02442	8.7
119.03512	7.6
124.07711	0.6
125.02472	0.9
131.03526	1.1
135.03017	1.1
143.03548	2.1
152.01212	0.9
159.03081	1.7
161.02542	0.8
161.04562	14.2
177.09224	5.3
179.05649	4.8
180.06027	0.6
183.04259	0.6
195.10362	0.5
207.49780	0.6
232.00313	0.5
348.09927	0.6
357.15555	18.9
357.19778	1.0
357.62613	0.6
358.16107	2.0
417.13193	1.5
417.18091	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03450	2.0
58.42169	1.1
59.01381	100.0
59.75182	0.8
60.01737	1.0
61.98523	1.0
61.98836	19.1
71.01384	25.8
71.11779	1.8
72.99289	1.0
73.02947	7.1
78.24131	0.9
83.01381	3.6
85.02950	9.0
87.00841	1.5
89.02433	3.1
93.03472	2.7
95.01399	1.7
99.00857	2.7
101.01845	1.5
101.02447	15.4
101.82765	1.0
102.05624	1.1
109.02934	1.1
109.84581	1.3
112.50206	0.9
113.02436	9.4
114.02689	1.0
123.04504	1.2
128.03552	2.2
133.06610	1.3
135.04515	3.4
137.02477	4.8
159.02992	2.2
161.02367	3.0
161.04562	29.8
165.09181	4.0
166.02682	1.0
169.08672	2.8
175.62904	1.0
176.00822	0.8
179.03436	1.6
255.08777	2.7
357.15567	13.3
358.15839	2.0
417.08926	1.5
417.17712	1.4
418.16705	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	4.9
63.41536	1.6
68.66699	1.4
69.53158	1.3
71.01389	11.3
72.99312	2.6
73.02956	3.7
73.38410	1.2
77.59639	1.2
83.01409	1.8
85.02976	3.8
89.02447	9.3
93.03461	3.3
95.05006	1.6
101.02434	8.3
107.05048	2.4
108.02254	1.1
109.02966	1.8
113.02459	7.2
119.03492	3.2
119.72086	1.2
124.34278	1.2
133.02095	1.3
133.02928	6.2
135.04506	5.4
137.02455	5.4
149.44585	1.2
149.48383	1.3
161.02426	3.7
161.04622	1.6
163.69064	1.6
177.01886	2.6
179.03511	2.2
197.04498	1.7
229.15164	1.3
237.14903	2.4
281.06580	1.7
417.21606	7.6
436.11182	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88805	1.3
59.01382	100.0
60.01725	1.8
61.98829	5.5
63.21469	1.1
71.01379	13.8
71.62447	1.4
71.62833	2.0
72.99297	3.4
73.02938	4.3
83.01411	2.2
85.02961	4.0
85.56956	1.2
89.02457	8.1
91.02827	1.0
92.36109	1.2
93.03468	4.1
95.02382	1.2
99.00896	1.7
101.02448	8.8
105.03495	1.1
107.05019	1.7
109.02955	3.7
113.02453	6.8
119.03521	3.4
119.70892	1.1
131.03543	1.9
133.02959	5.2
135.04523	6.0
137.02444	5.9
152.17352	1.2
161.02443	4.2
161.04543	1.8
162.02788	1.6
177.01938	2.6
179.03502	2.2
179.05591	1.6
237.14890	1.5
281.06705	3.1
330.59061	1.1
354.70267	1.1
417.21405	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	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
58.00579	4.2
59.01381	61.5
61.98826	4.0
69.03455	6.6
70.66454	2.9
70.66817	1.2
71.01385	76.5
72.90768	1.1
72.99307	4.0
73.02955	10.4
75.00878	18.4
80.37148	1.1
81.03461	4.2
83.01376	5.2
85.02954	8.6
87.00878	3.4
88.04051	3.2
89.02445	100.0
93.03441	1.8
95.01405	3.2
95.05029	7.6
97.02959	14.3
99.00878	17.4
99.04539	2.0
101.02442	17.1
111.00871	2.7
113.02435	8.7
115.04022	9.8
119.03502	1.7
123.00906	1.7
123.04527	84.3
124.04850	3.4
125.02445	46.5
126.02804	1.3
131.03490	11.8
135.04514	1.7
142.53827	1.1
143.03502	3.7
146.08249	3.6
149.02475	1.4
149.04546	14.9
161.04533	2.7
163.03993	1.5
164.07198	3.9
165.07407	1.5
181.03363	1.1
181.05173	1.3
191.05551	8.7
215.05637	1.5
218.10277	7.1
219.10704	1.5
225.55980	1.2
233.06650	36.4
234.06963	3.6
269.84583	1.4
293.08780	46.3
294.09100	2.9
341.10965	3.4
343.10199	1.5
354.98358	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	416.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	1.6
59.01086	2.5
59.01382	31.4
61.98829	15.4
65.86313	1.4
69.03461	3.8
71.01385	40.8
71.05020	1.4
71.64890	2.3
72.00912	9.8
72.31508	1.3
72.99312	5.9
73.02956	4.4
75.00868	11.7
81.03462	3.0
83.01372	2.4
85.02955	4.6
87.00880	1.6
88.04047	16.1
89.02448	46.5
93.03436	1.4
95.05051	2.2
96.96959	1.3
97.02956	6.6
99.00888	7.3
99.04524	2.0
100.00389	6.4
101.02438	7.6
108.02200	1.7
109.02967	3.3
113.02467	5.7
115.04031	3.0
119.05019	1.7
121.02990	1.6
123.00906	2.6
123.04530	43.3
125.02453	23.6
131.03510	5.5
135.04539	2.8
137.02390	1.9
146.08235	14.0
146.30371	1.3
147.04529	33.5
149.04547	9.3
163.04018	1.9
164.07166	100.0
165.07515	6.1
176.53220	1.4
179.05605	1.4
180.03061	4.0
181.05054	2.8
191.05655	3.8
195.05302	4.4
216.63002	1.5
218.10327	35.9
219.10696	3.0
233.06612	20.6
253.72606	1.4
254.06680	5.7
260.11426	4.5
270.30273	1.4
272.49786	1.6
293.08807	22.4
320.13028	1.4
341.10748	2.4
343.10266	3.1
359.76990	1.5
416.12726	4.2
429.53601	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	416.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98836	4.7
71.01379	1.2
71.61349	1.2
74.02475	6.4
75.00873	3.4
78.42361	0.6
82.71699	0.6
85.02982	0.9
86.58866	0.6
89.02452	1.2
91.99272	0.7
95.01389	3.6
100.00414	85.0
101.00736	2.0
108.02170	0.6
119.05012	1.0
121.02953	2.4
123.00906	5.5
128.00865	0.6
137.02466	1.2
138.03238	15.8
139.03488	0.8
142.26244	0.6
152.03532	8.8
153.01930	1.7
153.05579	22.1
154.05984	1.0
163.03957	1.1
164.03535	1.1
178.01509	1.2
179.02232	1.3
180.03038	68.0
181.03448	3.0
181.05022	0.8
193.03770	4.5
194.04538	3.4
195.05383	67.4
196.05699	4.1
208.06158	5.2
210.07741	30.0
210.09781	1.0
211.08026	1.9
213.55745	0.6
245.76706	0.8
254.06712	100.0
255.07047	7.2
296.07819	2.2
343.10513	1.2
416.11972	25.7
417.12311	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	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01729	1.4
61.39135	0.7
68.56552	0.6
69.44547	5.8
71.01409	1.1
78.47759	0.7
85.02982	1.3
89.02454	0.7
101.02461	1.4
106.06680	1.0
110.53438	0.6
121.46089	0.8
132.04590	3.7
134.03535	0.7
134.06107	6.0
145.96506	0.6
148.04070	1.0
151.50119	0.8
161.04616	1.0
176.03630	1.0
180.18602	0.7
251.11951	2.6
255.11447	0.8
279.11340	3.9
295.10919	1.3
323.10355	5.6
324.10806	0.9
355.13040	7.3
356.13434	1.3
373.22314	1.6
383.12549	4.1
415.14978	0.8
425.90085	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	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40850	0.3
52.15974	0.4
55.01876	0.7
55.22353	0.3
57.03444	0.6
57.95387	0.3
59.01379	100.0
60.01426	0.3
60.01725	1.2
60.62820	0.3
61.44299	0.3
69.29292	3.7
69.29634	0.7
71.01381	4.1
71.53017	0.3
71.68003	0.3
73.02921	2.3
83.01394	1.4
85.02945	2.2
88.98837	0.6
93.48712	0.4
95.01402	0.4
99.00889	0.7
101.02454	2.4
113.02432	1.6
134.06201	0.4
135.04565	0.6
143.03683	0.4
143.15335	0.3
152.47583	0.4
159.03061	0.4
161.02510	1.0
161.04607	1.3
246.54791	0.4
302.09641	0.3
355.21417	0.9
373.22305	3.3
374.22803	0.5
388.53214	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	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01730	1.3
64.98841	0.3
69.37918	2.7
71.01380	3.8
72.99314	0.3
73.02951	0.9
75.84867	0.3
77.80185	0.3
83.01421	0.4
85.02926	1.3
87.00888	0.4
89.02455	1.3
95.01354	0.4
99.00908	0.3
101.02448	2.3
109.02953	0.6
113.02440	1.4
117.03457	0.5
119.03519	0.6
125.02537	0.3
132.04587	0.7
133.02936	1.3
134.06137	0.8
135.04543	1.4
145.02946	0.5
149.02472	0.4
158.06163	0.4
161.02454	3.1
161.04634	0.7
179.03569	1.1
185.31602	0.3
267.06735	0.4
279.11438	0.4
311.05960	0.4
312.53726	0.2
323.10834	0.5
373.22247	2.5
374.22842	0.4
383.12604	1.1
415.23981	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	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.4
59.01383	100.0
60.01717	1.2
71.01381	7.7
73.02954	7.4
81.27846	0.4
83.01417	2.3
85.02973	1.7
89.02469	2.3
95.01433	0.6
98.20636	0.9
99.49250	0.4
101.02454	7.9
113.02433	2.8
119.03529	0.9
131.03481	0.4
133.02946	0.7
134.06151	0.6
135.04533	0.9
139.33603	0.4
143.03531	0.6
145.02994	0.6
147.12567	0.4
149.04608	0.5
149.13367	13.2
150.13725	0.6
161.02463	2.0
161.04610	1.7
179.03467	0.6
210.57887	0.4
216.10973	0.4
232.96780	0.4
253.05252	1.1
373.18478	0.6
373.22552	1.4
383.12695	0.5
415.19308	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	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58105	0.5
59.01369	0.8
60.02212	0.4
71.12002	0.5
71.12376	1.2
74.99099	7.1
77.00667	74.1
78.00999	0.9
80.16848	0.4
89.02463	0.5
99.04520	0.9
101.17136	0.5
109.06543	0.6
147.08177	1.6
149.09666	1.5
161.09708	1.3
163.11272	3.3
187.11299	2.3
241.04445	0.5
272.96060	0.5
279.13879	1.0
280.14691	1.6
289.21744	0.9
307.16776	0.7
309.22250	2.0
337.21719	100.0
338.22070	16.9
338.26144	0.9
371.25970	1.2
380.97379	0.5
415.23154	11.8
416.23474	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	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03445	0.5
58.00581	0.5
59.01382	100.0
60.01716	1.4
69.03472	0.6
71.01386	22.7
72.99305	1.1
73.02949	32.9
75.00896	0.7
83.01393	8.3
85.02962	3.9
89.02442	6.3
95.01385	1.1
98.20703	1.1
99.00909	0.5
101.02445	23.6
102.02798	0.9
109.02923	0.5
113.02457	7.3
119.03494	2.2
125.02429	0.9
131.03522	2.1
134.06184	0.7
135.04503	1.5
143.03494	1.4
149.04559	1.4
149.13361	60.5
150.13707	3.9
161.02501	2.1
161.04536	4.3
163.25806	0.4
179.03529	0.6
179.05647	0.5
195.90456	0.4
197.90356	0.5
201.84888	0.5
221.06662	0.5
222.30275	0.5
253.05064	2.9
355.17535	1.4
373.18573	1.4
394.04211	0.5
415.10297	0.9
415.19608	5.5
416.19763	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	415.1974
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01856	1.4
57.03443	4.6
58.00586	2.2
59.01380	81.2
60.01709	3.2
61.01788	1.7
69.03458	1.2
71.01385	39.7
72.01720	1.2
72.25536	1.2
72.77332	1.0
72.99294	4.1
73.02950	7.0
74.02483	1.4
83.01369	2.8
85.02956	14.6
87.00876	3.9
89.02448	24.5
95.01386	4.7
97.02904	1.1
97.06583	1.2
99.00880	2.5
101.02441	21.1
113.02444	15.8
116.61284	1.0
119.03501	10.6
122.26930	1.2
133.02982	1.5
134.06107	1.8
135.04500	3.8
137.02466	1.0
143.03476	3.1
145.02943	1.1
147.11801	1.6
161.02437	3.7
161.04570	2.7
167.14453	1.7
179.03580	1.0
179.05566	2.5
193.12340	13.2
211.13402	31.7
212.13728	3.9
235.13205	1.2
323.10309	1.2
355.17587	100.0
356.17923	12.9
373.18597	36.8
374.18909	4.7
415.19623	29.3
416.20090	4.1
416.26117	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03436	1.9
58.47995	0.8
59.01382	100.0
60.01710	1.3
69.49747	5.7
69.50146	1.9
69.53401	0.8
71.01385	18.0
72.01752	1.2
72.99306	3.1
73.02945	7.5
81.03459	10.7
83.01402	4.4
83.05025	7.2
85.02955	11.8
87.00873	1.7
89.02451	3.3
93.03464	16.6
95.01399	1.5
95.05022	16.5
97.02916	1.3
97.06557	1.1
99.00894	2.5
101.02444	24.1
107.05034	2.0
108.02194	2.1
109.02962	2.2
109.06596	8.3
111.00899	0.9
113.02450	10.1
119.03503	1.7
121.02964	1.4
123.04516	5.2
123.55258	1.0
125.09711	3.4
133.06610	2.5
135.04515	5.1
135.08171	12.7
136.01672	7.6
137.02455	34.5
138.02866	1.0
139.03986	1.5
141.05595	11.4
149.02492	1.5
151.03999	4.9
152.01126	1.8
152.07584	1.0
152.99640	2.3
153.02003	1.2
153.05554	1.6
159.08127	2.2
161.02415	2.6
161.04608	4.9
175.07655	2.7
177.09219	36.0
178.09512	2.5
179.03491	30.3
179.07072	4.8
180.03790	2.4
180.07663	0.9
187.09766	3.0
193.07173	33.8
193.08774	1.2
194.07492	2.2
195.10271	17.1
209.04510	4.8
221.08192	14.6
235.08075	1.8
239.05623	15.2
239.09271	2.2
239.39058	0.9
240.05923	1.6
295.10294	6.8
299.07532	1.5
415.12021	11.8
415.16721	52.9
416.16940	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	415.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.1
57.03445	3.6
58.00589	5.2
59.01382	95.3
59.83360	1.0
60.01706	1.4
63.66403	0.9
66.04181	0.9
68.99796	1.0
69.03457	3.3
71.01384	79.9
72.01715	1.6
72.99314	7.4
73.02944	10.5
73.09556	0.9
75.00864	1.1
81.03458	1.6
83.01379	7.7
85.02951	18.2
85.81165	0.9
87.00875	15.1
89.02446	85.3
90.02013	0.9
90.02777	1.7
91.04020	1.7
95.01401	4.8
97.02952	8.6
98.19906	2.6
99.00870	3.7
101.02443	65.0
102.02803	1.5
103.00374	1.0
103.68906	0.8
109.02943	1.2
111.00945	1.2
113.02460	27.0
115.04025	1.2
119.03503	28.0
121.02911	1.6
125.02448	16.6
131.03500	4.1
143.03505	13.0
149.04565	2.7
157.27541	1.0
161.04558	13.1
179.05608	27.1
180.05937	1.1
185.04523	2.0
188.60815	0.9
221.06662	5.3
235.08173	12.3
253.09294	8.5
263.07773	4.6
287.07718	2.4
305.08887	2.4
323.10056	2.0
397.13809	1.3
415.14566	100.0
416.14856	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.62976	0.6
57.03440	1.6
58.00587	0.5
59.01383	35.5
61.98828	0.7
65.03969	7.9
66.00469	0.6
67.01897	3.1
69.36204	2.3
69.36625	3.2
71.01388	17.3
72.99314	2.3
73.02953	4.5
75.00874	2.5
78.95895	1.1
83.01375	1.9
84.05333	0.5
85.02954	8.4
87.00896	1.6
89.02441	5.2
91.01937	0.6
95.01407	1.6
97.16878	0.6
98.19909	1.2
99.00888	1.8
101.02449	9.9
109.02956	100.0
110.03283	4.6
111.00925	0.7
113.02448	10.1
117.05585	2.5
119.03507	1.6
119.05029	1.1
121.02972	3.2
121.80640	0.5
123.04520	1.5
133.02943	1.4
135.00882	7.2
135.04514	4.6
139.03981	0.9
143.03548	0.9
145.02977	2.2
151.04085	0.8
153.01944	75.4
154.02267	4.3
159.03003	0.8
161.02443	2.1
161.04559	5.3
163.04053	1.5
167.03435	1.1
174.00414	0.6
179.03564	1.0
180.99608	0.6
203.03703	0.6
235.13341	1.4
253.07115	0.9
253.18195	1.9
262.88657	0.6
285.03912	0.7
288.88678	0.6
415.12527	23.5
415.19617	7.3
415.23822	4.7
416.12839	2.4
416.19919	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	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94632	0.6
59.01379	8.8
66.72729	0.7
69.03427	1.0
70.43710	1.1
70.44092	1.3
71.01381	4.9
72.99311	11.3
73.02953	1.6
75.00871	2.7
81.03458	2.2
85.02965	5.6
93.03455	1.5
95.01394	3.5
96.95154	0.6
99.00889	0.9
101.02434	2.6
108.02177	87.8
109.02965	81.8
110.03271	2.9
112.56315	0.6
113.02426	1.0
117.01952	0.7
117.05553	1.3
121.02966	1.0
121.37658	0.7
123.00867	3.0
123.04500	0.9
130.16974	0.7
135.00891	0.7
135.02989	6.9
135.04536	1.3
147.02963	0.7
151.04036	2.0
151.15489	0.7
152.01152	84.0
153.01941	53.1
154.02284	2.8
154.28888	0.7
161.02448	0.7
161.04535	1.1
162.31081	0.7
163.04071	1.1
165.01927	1.8
167.03496	3.0
191.01981	2.5
252.05670	0.7
288.74420	0.6
297.06299	1.2
315.07291	3.7
357.08234	13.1
358.08362	0.8
397.11316	5.1
415.12408	100.0
416.12808	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	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.1
62.21420	0.5
69.55935	1.1
69.56362	3.7
71.01382	4.1
73.02945	1.3
81.03457	1.9
83.01401	0.6
85.02955	5.2
93.03468	1.7
94.47582	0.7
95.01394	2.6
99.00872	1.0
101.02453	2.1
104.34879	0.6
108.02176	89.1
109.02967	64.7
110.03306	3.2
113.02431	1.9
117.05564	0.7
121.02958	0.9
123.00866	1.4
123.04516	0.8
130.58549	0.7
135.00877	0.8
151.04044	1.5
152.01151	81.1
153.01950	27.6
154.02249	0.9
163.03949	1.5
165.01907	1.4
167.20728	0.6
181.05156	0.6
216.87569	0.7
297.06210	0.6
300.40308	0.7
315.07141	4.2
357.08249	15.7
358.08542	1.4
367.94775	0.6
397.11453	5.8
406.26196	0.7
415.12445	100.0
416.12796	13.5
428.34000	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	415.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03444	1.3
59.01383	19.8
61.98827	2.3
70.11309	3.3
71.01379	10.2
71.05010	4.0
72.99310	31.5
73.02941	3.1
75.00871	2.6
81.03465	3.2
83.05106	1.0
85.02953	5.7
86.18229	1.0
87.00877	1.6
87.04498	2.2
89.02431	3.6
93.03445	5.9
95.01394	4.5
99.00887	1.8
99.21162	1.0
101.02451	4.4
108.02181	63.1
109.02966	69.1
110.03281	4.0
113.02418	3.7
117.01900	1.5
117.05589	16.4
119.03519	1.4
121.02920	1.5
123.00868	2.2
123.04491	3.7
128.53238	1.0
128.74510	1.0
135.03017	6.2
135.04488	4.8
135.05406	1.2
136.01682	1.6
137.02451	10.4
140.42912	1.3
145.02933	1.5
147.02980	1.7
151.03973	1.5
152.01164	65.0
153.01949	51.1
154.02301	3.0
160.28772	1.2
161.02437	1.5
161.04515	2.1
163.03983	1.8
165.02071	1.2
167.03508	1.0
179.03485	5.7
181.04967	1.2
191.01952	4.4
224.05376	1.1
229.19310	1.2
232.95793	1.1
239.05615	2.9
295.10260	2.6
297.06137	3.2
315.07321	1.9
372.12482	1.2
397.11206	2.3
406.79022	1.3
415.12363	100.0
416.12659	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	414.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
59.31117	0.3
59.83488	0.4
69.37424	3.1
78.95906	100.0
110.98534	70.9
111.98896	0.5
124.27414	0.4
126.80211	0.4
142.67267	0.4
154.02728	1.5
163.99051	0.4
184.95908	0.4
414.24146	54.6
415.24463	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	415.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66764	0.4
61.98833	100.0
70.18317	0.5
70.81007	0.5
70.81336	1.0
71.01368	0.8
72.99295	0.8
81.29996	0.4
91.55861	0.5
97.94225	0.5
99.57749	0.5
109.03022	0.6
115.92085	0.7
116.92877	0.4
121.02994	1.4
135.04707	0.4
153.01939	0.5
318.01126	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	1.3
71.18253	1.1
98.20670	1.9
99.36710	1.2
105.30798	1.1
121.15919	1.2
127.65255	1.2
165.46631	1.1
172.47627	1.1
180.78200	1.1
181.74367	1.3
226.10536	1.2
281.81775	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	414.1043
Annotation	Dafadine-B
Peak:m/z	Relative Intensity
59.01377	6.1
61.98831	20.3
65.11175	0.7
68.89386	0.8
69.03452	1.1
71.01383	7.4
71.12037	1.0
71.12376	1.5
72.04549	1.3
72.23060	0.8
72.99310	2.3
73.02950	3.3
74.02475	32.5
81.03467	1.1
85.02940	5.1
89.02439	3.1
93.03452	3.3
95.01387	3.1
97.02943	1.5
98.02483	12.3
99.00887	1.1
101.02453	3.1
108.02179	58.6
109.02973	40.9
110.03300	1.1
113.02467	1.3
115.00394	1.8
116.02914	0.9
116.03533	25.4
121.02956	67.0
123.00884	2.7
125.02456	1.7
129.05566	3.1
136.04042	9.5
137.02425	3.9
151.04039	2.1
152.01155	73.3
153.01945	34.5
163.03935	2.6
165.01863	1.6
166.81331	1.0
179.03458	1.0
197.04550	1.1
252.05099	1.1
285.06647	0.9
297.06174	6.0
315.07278	7.6
370.12012	0.9
379.16107	0.9
414.10394	100.0
415.10794	13.6
415.15787	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	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01720	1.0
63.31285	0.4
69.61745	3.4
69.62072	0.4
71.01392	2.2
73.02980	0.6
77.87319	0.4
101.02469	0.8
113.02465	1.4
122.03761	0.9
161.04593	0.5
302.76489	0.5
398.35928	0.5
400.19785	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79848	1.7
55.92960	1.6
56.29683	1.6
59.01382	100.0
61.98833	2.7
62.95570	1.6
69.97961	4.9
69.98366	3.9
84.51641	1.6
92.96861	1.6
103.45933	1.7
117.43756	1.6
125.83380	1.8
147.57741	1.8
154.79558	1.6
287.78699	1.7
296.96930	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	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48703	0.3
59.01380	100.0
60.01709	1.4
69.61749	1.8
69.91769	0.2
71.01389	0.9
85.02943	0.3
89.02470	0.3
97.50603	0.2
101.02454	0.5
109.02960	1.1
113.02482	0.5
115.52772	0.3
124.82374	0.3
136.85561	0.3
146.34993	0.3
153.01978	0.8
161.02403	0.2
213.26505	0.2
231.63519	0.3
333.89691	0.2
358.89673	0.3
413.18127	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54437	0.3
55.01871	0.3
57.03441	0.3
59.01381	100.0
60.01718	1.5
65.69357	0.2
69.31548	1.4
69.31971	1.1
71.01392	4.1
71.96686	0.3
72.99307	0.2
73.02952	1.3
83.01411	0.8
85.02966	1.8
89.02467	0.7
95.01409	0.3
97.06567	0.2
99.00912	0.5
101.02465	2.7
113.02449	2.0
127.15881	0.3
135.04543	0.5
137.09766	1.0
139.11287	0.9
143.03551	0.4
146.06693	0.3
159.02939	0.3
161.04555	1.8
163.04050	0.3
209.15430	2.1
258.34537	0.2
327.18054	0.4
335.18655	0.3
353.19821	1.0
371.20758	0.7
439.63565	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	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77962	0.4
54.35192	0.4
59.01381	100.0
60.01712	1.5
60.58193	0.5
62.16777	0.4
69.67544	2.1
71.01391	1.6
74.38634	0.5
85.02950	0.7
89.02493	0.6
92.08321	0.4
93.03490	0.6
98.19861	0.7
101.02454	1.2
113.02438	1.0
137.02400	0.6
223.28313	0.4
288.64114	0.4
331.31058	0.4
371.20731	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55529	0.3
57.03454	1.1
59.01379	100.0
60.01718	1.1
69.28963	0.7
69.29377	2.4
71.01386	2.8
71.38124	0.2
72.99306	0.3
73.02951	1.2
83.01415	0.4
85.02946	1.4
89.02437	1.4
95.01381	0.3
101.02439	1.8
101.36575	0.3
107.03310	0.3
113.02470	1.1
114.12629	0.3
119.03525	0.7
122.22932	0.3
135.04564	0.4
161.04619	0.7
172.46829	0.3
179.14420	0.4
209.15552	0.9
285.44745	0.3
371.20901	0.3
413.21756	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	413.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71773	1.0
59.01366	2.4
63.41778	0.9
71.63331	1.3
73.94157	1.0
75.40934	1.0
78.95882	2.4
83.61684	1.0
83.66503	0.9
96.42661	1.1
99.92574	1.1
116.21893	1.1
152.99593	12.2
172.64211	1.1
233.82979	1.2
260.60913	0.9
277.21707	100.0
278.22025	12.1
413.20901	4.5
414.12387	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.1
59.01380	95.8
60.01708	1.8
61.30307	1.0
69.03445	1.7
70.76994	3.0
70.77373	1.4
71.01382	25.7
71.05024	1.3
72.99304	3.4
73.02948	25.1
74.20920	1.0
75.49070	1.0
81.03463	1.3
83.01371	6.3
85.02946	10.0
87.00877	1.9
89.02446	10.7
93.03466	2.8
95.01379	2.1
99.00892	1.6
101.02444	21.8
108.02173	100.0
109.02995	20.5
110.03326	1.8
113.02448	8.5
115.07643	4.3
119.03502	4.6
123.00849	1.1
123.04440	1.8
125.02425	2.6
131.03493	4.2
133.02951	2.9
134.03677	0.9
135.04501	2.9
137.02443	3.6
139.11215	1.7
143.03465	1.1
145.02969	1.5
147.11812	5.4
149.04497	1.5
151.00409	1.6
151.04053	1.4
152.01146	51.6
153.01936	19.1
161.02420	2.6
161.04530	2.8
163.03998	1.4
165.12794	2.4
169.01404	5.1
190.79892	1.0
191.10745	2.5
202.76221	1.0
209.11823	8.1
234.01190	1.1
353.15891	3.8
371.17072	7.4
388.30692	1.1
413.14417	61.6
413.18265	15.5
414.14316	10.3
437.25052	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03448	57.2
59.01382	68.6
61.98826	2.3
69.03455	4.6
71.01385	22.4
71.66469	2.4
72.99313	3.4
73.02949	7.8
81.03477	1.8
83.01389	4.0
85.02942	9.8
87.00865	2.7
89.02436	6.2
93.03457	15.3
95.01386	2.9
96.85708	1.5
97.02948	2.1
99.00862	4.7
99.04525	44.0
100.04828	1.7
101.02450	29.4
108.02195	7.2
109.02949	6.7
113.02464	10.4
121.02961	2.1
123.00889	1.8
125.01602	2.2
125.02444	21.1
125.48388	1.5
127.00365	3.5
132.02168	19.7
133.02962	7.2
134.03726	12.7
135.04488	6.8
137.02438	19.4
148.07626	1.4
149.06012	2.1
151.00371	5.4
151.23607	1.7
152.01180	8.8
152.99577	1.6
153.01912	6.5
159.02887	2.6
160.01665	82.1
161.02434	10.7
161.04536	8.2
175.04002	100.0
176.04305	6.2
179.03438	5.3
193.05055	14.8
194.05408	1.8
269.10342	13.2
376.32800	1.6
413.14438	70.2
414.14737	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
59.01380	12.3
61.98831	4.3
68.99811	0.9
69.03437	1.4
71.01379	6.1
71.05000	0.7
71.64366	0.8
72.99290	1.0
73.02946	3.6
76.17120	0.9
78.95885	1.0
81.03430	2.6
83.01351	1.5
83.05000	1.5
85.02957	6.8
87.00895	1.0
88.71210	0.8
89.02436	1.8
90.42663	0.7
93.03467	7.3
95.01382	3.7
97.02874	0.8
99.00857	1.4
101.02439	4.1
107.05059	0.9
108.02175	67.8
109.02962	60.0
110.03267	2.6
111.00848	2.7
113.02446	7.2
114.05570	2.1
115.05074	2.1
115.05840	0.9
117.03484	6.0
117.04903	0.9
117.05579	10.6
119.04964	2.1
121.02909	1.4
123.00862	2.1
123.04504	2.0
135.00917	1.5
135.04466	2.4
137.01610	0.8
137.02443	9.3
139.04031	0.8
141.01875	3.2
145.01852	1.1
145.02954	20.7
146.03169	1.0
151.03922	1.5
152.01154	62.5
153.01941	100.0
154.02275	4.8
161.02400	0.8
163.03973	3.3
165.01947	1.4
175.45596	1.0
179.03500	1.4
181.01291	0.9
209.11824	0.9
217.14452	4.5
246.48596	0.8
273.98215	0.8
315.07199	50.8
316.07565	5.8
355.06500	0.9
363.47592	0.9
395.09381	1.7
413.10577	55.7
413.19745	1.4
414.10944	7.1
414.18744	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	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74159	1.0
55.01873	1.1
57.03445	1.2
59.01386	11.1
69.03429	1.8
69.73502	4.1
69.73907	1.8
71.01384	6.3
71.05007	1.8
73.02908	4.2
73.04047	1.0
81.03433	2.4
83.01368	2.3
85.02953	8.5
89.02438	1.9
93.03433	2.0
95.01345	3.8
97.02927	1.0
98.20587	1.8
99.00828	2.5
101.02414	2.5
108.02175	87.2
109.02964	69.9
110.03247	3.2
111.00844	2.2
113.02467	7.8
114.05523	1.2
115.05085	1.3
116.60411	1.0
117.03465	9.3
117.05580	10.6
119.04968	2.6
121.02946	1.8
123.00825	3.1
123.04449	2.4
125.02401	1.3
126.73116	1.0
130.80611	0.9
133.02922	1.4
135.04491	1.2
137.02394	3.5
141.01915	1.3
145.02951	34.2
151.03909	2.3
152.01158	83.3
153.01942	100.0
154.02197	4.2
161.02419	1.6
161.04465	1.2
163.04010	7.7
165.01852	1.3
179.03426	3.4
298.45499	1.1
315.07202	84.5
316.07538	8.1
355.06573	1.1
400.54819	1.2
413.10568	60.2
414.10968	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
68.99823	3.3
71.40414	4.0
72.75379	2.2
72.95658	2.7
75.88378	2.7
94.31356	2.3
104.14028	2.4
119.01349	3.6
147.00853	4.4
148.01622	12.6
149.02374	5.6
163.04117	2.7
165.90674	2.3
175.00327	5.9
175.92122	2.3
179.03487	14.2
180.04237	7.2
207.02985	9.0
208.03812	6.1
407.60107	2.8
411.21713	47.3
412.22141	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51483	0.9
59.01382	100.0
64.31611	0.9
71.33724	2.3
75.97216	0.8
95.45686	0.9
171.00868	1.0
224.46469	0.9
296.90646	0.9
348.77948	1.0
356.50803	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	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26589	0.4
57.03438	0.8
58.00597	1.0
59.01380	100.0
60.01707	2.0
63.53178	0.3
69.03449	0.8
69.51523	1.3
69.51945	1.6
71.01385	20.0
72.01711	0.7
72.99321	1.3
73.02531	0.9
73.02947	18.6
83.01389	5.9
85.02950	4.3
85.03360	0.4
85.20745	0.4
87.00892	1.2
89.02445	13.1
89.02989	0.6
95.01421	1.3
99.00905	0.8
101.02447	19.2
108.02193	0.7
109.02972	0.8
113.02456	10.3
115.07700	0.5
119.03503	4.9
119.04994	0.8
125.02481	1.1
131.03500	1.6
133.02943	0.6
135.04536	1.3
139.44707	0.4
143.03491	2.3
149.04591	1.3
152.01189	0.7
153.01947	1.2
161.02509	0.7
161.04562	4.0
179.03510	0.4
179.05630	1.9
192.55481	0.4
203.05554	0.4
225.63295	0.4
249.14987	1.4
253.87685	0.4
284.31390	0.4
351.18118	1.9
353.08545	0.4
357.35413	0.4
369.19193	7.0
370.19635	1.0
411.12689	0.5
411.20349	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	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01381	100.0
60.01700	0.7
60.32203	0.7
60.78267	0.7
61.53318	0.7
61.53666	0.7
63.97873	0.6
63.98198	0.9
69.53830	3.1
69.54253	2.3
71.01381	12.4
73.02945	12.0
73.68335	0.7
74.35241	0.7
83.01412	3.2
85.02960	2.4
89.02416	3.6
101.02444	13.1
101.03076	1.1
113.02463	6.2
119.03527	1.9
120.37837	0.7
131.03513	1.1
137.09741	4.3
143.03500	1.1
144.88200	0.8
161.04549	1.5
175.34065	0.7
203.16721	0.7
216.73778	0.8
281.58813	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	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02793	0.6
55.01888	0.8
56.50471	0.7
59.01380	100.0
60.01724	1.1
60.62853	0.8
69.03448	0.8
69.43966	6.3
71.01385	19.5
71.01761	1.3
73.02534	1.3
73.02951	24.3
83.01398	6.0
83.35267	0.8
85.02981	3.4
89.02448	7.4
92.75883	0.7
95.01371	0.8
101.02450	21.7
109.03007	0.9
113.02439	11.1
119.03526	2.2
119.27596	0.7
121.06593	0.8
125.02512	0.8
131.03546	2.6
137.09734	8.2
139.79529	0.8
143.03482	1.5
144.39612	0.7
161.04564	3.0
200.04733	0.7
255.23489	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	411.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.9
59.01629	2.0
71.01385	10.9
71.64298	2.0
71.64724	2.4
73.02942	3.2
77.94682	2.1
85.02953	6.4
97.02917	2.1
101.02441	5.3
108.02177	89.6
109.02972	63.7
111.00910	2.3
113.02421	4.7
123.00851	3.0
134.03777	2.9
135.04500	5.9
148.05307	86.2
149.05598	4.2
152.01157	100.0
153.01933	28.7
163.07643	59.9
164.08003	5.4
179.03441	7.6
197.10580	2.3
205.08714	3.4
239.88664	2.1
309.67981	2.1
315.07178	14.0
411.12927	99.1
412.13126	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	411.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27756	0.5
55.01873	0.6
59.01379	8.7
69.03465	0.7
69.38663	3.3
69.39065	0.8
71.01383	8.3
73.02953	3.7
81.03461	2.4
83.01395	1.5
85.02953	6.5
87.00883	0.7
89.02466	0.7
89.58279	0.5
93.03440	1.1
95.01395	4.3
95.05007	1.2
97.02893	0.5
97.06648	0.4
98.20624	0.9
99.00889	1.5
101.02446	3.9
102.70936	0.5
108.02176	100.0
109.02964	66.2
110.03307	2.7
113.02449	4.1
113.06090	2.8
121.02940	1.6
123.00886	2.3
123.04494	0.5
125.02407	0.6
133.02983	0.7
134.03726	1.4
135.00838	0.7
135.04523	1.7
140.78238	0.4
147.04480	1.1
151.03989	1.9
152.01154	97.2
153.01944	41.2
154.02306	1.6
159.03014	0.7
161.02432	0.9
161.04523	2.2
163.04008	1.1
165.01941	1.8
177.01921	0.6
179.03497	1.0
196.66423	0.4
205.08691	1.1
275.82742	0.6
315.07211	20.8
316.07642	1.9
411.12955	84.8
412.13275	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	411.1297
Annotation	Paashaanolactone
Peak:m/z	Relative Intensity
55.01886	1.3
57.67380	1.0
59.01383	33.9
61.98838	4.8
64.16560	1.1
68.99813	1.5
71.01386	14.5
71.62965	1.7
72.99316	1.9
73.02932	5.6
75.00879	1.4
83.01371	2.7
85.02939	6.4
89.02450	5.7
93.03461	53.9
94.03801	2.4
95.01365	2.4
96.96013	5.6
97.02988	1.4
99.00891	3.4
101.02444	13.4
108.02184	2.6
109.02939	1.2
111.00922	1.5
113.02475	6.2
114.98524	1.4
117.03441	1.6
119.03583	1.7
119.05042	12.4
121.02935	1.7
127.00347	3.2
134.03732	1.9
135.03032	1.2
135.04564	7.3
136.01659	7.5
137.02448	100.0
138.02760	3.9
143.03511	1.3
145.02942	8.1
146.03294	1.3
147.04544	1.6
149.02403	1.0
151.03998	1.8
152.40134	1.1
153.01900	1.3
161.02470	4.4
161.04610	2.4
161.51076	1.1
163.04022	11.2
164.04364	1.1
179.03508	13.8
204.59518	1.1
209.04523	1.7
217.16063	1.2
233.15425	1.6
239.05595	7.2
247.11769	1.3
263.16544	2.2
281.06488	1.1
291.11035	5.8
299.07703	1.3
307.08334	1.9
367.13953	71.6
368.14236	9.8
393.11771	6.6
411.12747	33.1
411.21075	1.9
412.13187	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	411.127
Annotation	t(6)a
Peak:m/z	Relative Intensity
59.01377	6.4
61.98825	3.2
66.16152	1.1
69.99348	5.7
69.99725	2.2
71.01385	3.5
72.00909	24.1
74.02474	19.7
83.01369	1.1
85.02943	2.2
89.02417	1.3
89.18904	1.1
100.00409	25.0
101.02426	2.8
118.05106	100.0
119.05479	1.4
123.19643	1.2
124.52800	1.2
134.04759	1.2
144.03033	22.9
147.00882	1.2
160.02661	3.9
161.04504	2.2
186.40668	1.1
279.14511	3.4
411.13733	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	411.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14240	0.3
56.78590	0.3
59.01381	1.8
66.86314	0.3
69.27293	1.8
69.27718	1.8
71.59492	0.3
79.95742	2.7
96.96011	100.0
109.02964	1.0
127.53469	0.4
133.02946	1.3
149.71660	0.3
161.02440	4.6
270.75421	0.4
304.35938	0.4
313.07092	1.0
318.07007	0.4
412.12442	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	411.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14954	1.8
52.20893	1.4
59.01386	28.8
61.98835	10.0
69.84169	2.1
69.84583	6.7
71.01391	9.9
72.99315	1.5
73.02956	7.3
78.15756	1.6
85.02963	2.1
86.03283	1.4
87.00846	2.0
89.02444	2.7
93.03438	2.0
98.19816	1.6
101.02444	7.8
101.06088	5.3
108.02170	3.1
109.02985	2.8
111.00893	1.6
116.71084	1.5
117.03467	25.5
119.05030	20.9
120.05344	1.9
125.09731	2.7
127.00330	1.6
131.05009	3.0
133.06549	4.3
134.63441	1.6
135.04549	3.5
143.04991	3.1
145.02957	100.0
146.03279	6.6
152.01176	1.9
153.01923	6.2
158.03656	2.2
159.04498	7.8
161.04788	2.1
161.06046	7.7
163.04019	19.4
177.05582	2.0
187.04013	41.1
187.07567	2.0
188.04434	2.9
205.05049	3.3
215.12907	1.7
267.15921	2.3
275.09113	3.1
306.22186	1.9
320.02814	1.8
367.10321	2.9
411.12836	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	410.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06070	0.7
53.07343	0.7
53.26709	0.6
59.01382	29.7
60.01711	1.6
61.98833	100.0
63.27423	0.7
69.35898	0.8
69.77000	4.2
70.34930	0.6
71.01381	4.6
73.02949	4.1
83.01394	1.4
85.02962	1.5
89.02467	1.7
90.89993	0.7
99.00847	0.8
101.02450	4.3
113.02444	1.4
119.03548	0.8
127.00420	2.6
132.04510	0.9
135.04558	3.1
149.04526	1.0
161.04620	1.3
179.03439	1.0
198.80800	0.7
216.02721	1.1
279.11584	0.9
309.16986	0.7
329.26706	0.8
351.13455	1.1
411.15948	1.1
411.20697	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	410.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.9
61.98833	100.0
68.51868	0.6
71.01389	1.0
71.71156	0.6
83.01370	0.5
98.19821	1.3
99.92587	8.2
100.93354	0.6
101.02470	1.1
106.17094	0.5
113.02432	1.0
115.92071	5.4
116.92863	9.5
125.92945	1.7
127.00435	0.7
132.90599	2.3
134.03745	1.1
135.04541	5.6
137.02472	1.1
137.09715	1.1
169.12431	0.7
179.03461	6.0
199.94809	2.0
201.96480	1.4
217.95862	0.8
247.97838	0.7
366.01196	1.2
411.20630	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01712	1.4
61.98839	1.3
69.77884	0.8
69.78288	1.8
71.01378	2.0
73.02944	2.4
81.45970	0.4
85.02933	0.7
90.17282	0.4
93.74162	0.4
101.02460	1.0
108.02174	0.5
117.03482	2.3
119.05007	2.8
131.05045	0.5
135.04535	2.0
145.02953	8.6
146.03377	0.4
161.02501	1.0
161.04622	0.6
161.06050	0.8
163.03993	2.9
187.04088	1.6
189.05569	0.5
204.07901	6.3
205.08684	2.3
247.09848	0.4
409.19925	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03452	1.9
58.00593	1.1
59.01382	100.0
60.01719	1.2
61.98831	2.3
69.80008	2.2
69.80417	2.3
71.00989	1.9
71.01385	36.9
71.05018	0.9
72.99313	5.4
73.02948	22.1
74.99059	1.0
75.00877	4.0
79.03226	0.8
83.01400	8.4
85.02952	9.7
87.00888	3.6
87.04527	3.6
89.02448	23.4
95.01408	1.8
95.05017	1.2
96.96005	1.1
97.06578	3.2
98.20568	1.6
99.00889	2.7
99.04507	1.2
101.02451	33.5
109.02921	0.9
111.04562	0.8
112.98778	1.3
113.02451	14.9
114.02840	0.9
115.07663	1.5
119.03495	11.4
121.52018	0.7
123.47267	0.8
125.02438	1.8
127.00407	0.8
131.03537	2.5
133.87213	0.7
135.04529	3.2
135.98372	1.2
141.09265	1.1
143.03535	4.1
143.07211	0.8
144.03981	0.8
146.57245	0.8
149.04517	1.5
159.06633	1.7
159.10257	1.1
161.04564	9.5
179.05566	5.6
187.13371	0.8
196.10777	0.8
205.14462	12.9
276.99484	0.9
346.66272	0.9
349.18649	15.7
350.19016	1.7
367.19739	14.1
368.20010	2.6
409.16202	6.0
409.21851	5.3
409.97388	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	409.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17710	1.8
53.66125	2.0
57.03453	5.4
59.01381	100.0
60.01726	2.8
61.98825	4.9
69.03458	2.6
69.32831	9.1
69.33263	8.7
71.01381	19.5
71.05000	2.2
72.99303	6.3
73.02940	8.7
75.00883	3.3
76.56090	1.9
78.91890	2.3
81.40360	1.9
82.89042	1.8
83.01396	4.5
83.05032	4.2
85.02949	9.6
86.00106	4.4
87.00887	9.4
87.04509	6.1
89.49153	2.2
95.01399	3.9
97.02955	4.0
97.18915	2.2
99.00880	6.6
101.02449	14.9
109.02956	6.8
111.00862	7.6
111.04543	2.3
113.02457	12.1
114.06630	1.9
115.04056	2.2
117.03475	4.2
121.06618	4.9
123.00864	3.4
123.04516	2.9
125.02454	2.5
127.04014	4.0
129.01924	6.0
133.02939	12.4
135.04543	23.1
136.04889	2.9
137.02460	3.0
137.09721	68.8
138.10051	2.7
139.04001	6.7
141.01933	12.3
145.02940	7.3
147.04561	3.4
149.09721	2.2
159.02994	25.1
161.02458	25.8
162.02852	3.1
166.47626	2.3
175.11288	2.8
179.03487	12.9
181.05070	2.6
185.09137	2.1
187.11336	2.7
203.10764	13.4
203.14413	4.0
211.13409	4.7
221.11786	13.8
223.13423	4.9
226.92572	2.4
231.13866	3.2
259.13446	13.6
260.13541	2.2
265.14542	3.6
267.06583	2.1
277.14417	3.2
331.15683	3.0
349.16815	2.0
409.14261	4.1
409.19156	2.7
409.24127	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	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79813	0.4
51.10659	0.5
54.39254	0.5
55.01886	1.1
57.03439	1.5
58.00591	3.1
59.01379	73.2
60.01721	1.0
61.98808	0.7
68.99789	0.6
69.03459	1.0
69.97542	2.3
71.01382	71.1
72.01730	1.5
72.77137	0.4
72.99311	3.7
73.02949	12.3
76.90571	0.4
79.73322	0.4
81.03455	0.5
83.01377	3.5
84.76533	0.5
85.02951	11.4
85.06596	0.6
87.00887	2.9
89.02445	100.0
90.02779	2.5
95.01368	1.1
96.96008	0.5
97.02953	1.2
99.00882	2.0
101.02444	37.4
102.02766	0.9
113.02441	13.1
115.07636	1.3
119.02750	0.6
119.03509	7.6
119.04903	0.5
125.02441	3.0
129.85110	0.5
131.03503	27.6
132.03806	0.9
143.03465	1.4
149.04553	56.8
150.04863	1.4
161.04543	3.5
179.05580	2.4
191.03970	0.7
191.05612	10.2
251.07603	0.5
277.12689	1.4
323.44006	0.5
409.17017	0.8
420.31546	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	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01374	3.5
59.36145	0.4
62.62313	0.4
68.99812	0.4
69.03480	0.7
71.01374	1.1
71.66166	0.7
72.19962	0.4
73.02948	1.2
81.03484	0.6
83.01387	0.6
85.02961	0.9
87.00877	0.5
93.03453	0.8
95.01396	1.1
96.96016	0.7
99.00913	0.6
101.02448	1.2
108.02173	13.3
109.02966	16.7
111.00867	1.9
113.02451	3.3
113.06078	2.0
119.05027	100.0
120.05370	5.5
121.02995	1.1
123.00905	0.6
123.04536	0.9
129.01923	0.7
133.02953	1.4
135.04521	1.9
137.02455	0.5
141.01961	1.5
149.06059	0.5
152.01161	13.2
153.01944	34.1
154.02245	1.4
159.03032	4.5
159.04317	0.8
159.11797	0.8
161.02483	3.8
163.04018	67.2
164.04384	4.5
179.03503	1.5
187.07658	0.7
222.20508	0.4
223.13301	1.0
225.05460	1.0
229.34891	0.5
247.09782	1.1
267.06686	2.4
313.05780	0.5
329.06876	0.9
377.45325	0.5
409.11392	10.7
409.30981	0.8
425.12750	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	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01374	3.5
59.36145	0.4
62.62313	0.4
68.99812	0.4
69.03480	0.7
71.01374	1.1
71.66166	0.7
72.19962	0.4
73.02948	1.2
81.03484	0.6
83.01387	0.6
85.02961	0.9
87.00877	0.5
93.03453	0.8
95.01396	1.1
96.96016	0.7
99.00913	0.6
101.02448	1.2
108.02173	13.3
109.02966	16.7
111.00867	1.9
113.02451	3.3
113.06078	2.0
119.05027	100.0
120.05370	5.5
121.02995	1.1
123.00905	0.6
123.04536	0.9
129.01923	0.7
133.02953	1.4
135.04521	1.9
137.02455	0.5
141.01961	1.5
149.06059	0.5
152.01161	13.2
153.01944	34.1
154.02245	1.4
159.03032	4.5
159.04317	0.8
159.11797	0.8
161.02483	3.8
163.04018	67.2
164.04384	4.5
179.03503	1.5
187.07658	0.7
222.20508	0.4
223.13301	1.0
225.05460	1.0
229.34891	0.5
247.09782	1.1
267.06686	2.4
313.05780	0.5
329.06876	0.9
377.45325	0.5
409.11392	10.7
409.30981	0.8
425.12750	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	409.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52907	0.1
69.60679	0.7
76.09001	0.1
77.03975	0.1
82.77924	0.1
83.78458	0.1
89.03973	0.3
95.05009	0.1
98.20612	0.2
104.02699	0.1
105.03458	0.6
109.02964	0.5
115.01884	0.2
121.02921	0.1
132.02153	1.8
133.02954	32.7
134.03294	1.9
134.04291	0.1
135.04521	0.4
143.32854	0.1
146.03743	1.1
147.04498	0.3
149.02455	1.5
149.06062	0.5
150.03217	4.9
151.03558	0.2
159.04451	0.5
161.02438	100.0
162.02774	5.9
162.04166	0.2
163.04092	0.1
171.04495	0.1
172.05333	0.3
173.06081	0.3
174.03214	3.8
174.06744	0.2
175.04002	1.3
175.07596	1.2
176.04698	0.2
176.08070	0.1
177.05550	0.3
186.03203	0.2
186.06883	0.1
187.04010	0.2
187.07559	0.3
189.05545	0.3
190.06314	0.2
191.07129	0.3
199.04010	0.2
200.04790	1.8
201.05383	0.3
201.09201	0.2
202.06297	0.2
203.07127	6.9
204.07442	0.6
204.18269	0.1
205.08662	0.7
211.07660	0.5
213.05318	0.1
215.07129	0.4
216.07863	0.2
217.08624	0.2
218.05774	0.7
228.07886	0.2
229.08669	2.0
230.09138	0.2
247.09726	5.0
248.10115	0.3
253.69875	0.1
255.10339	0.2
267.06653	0.1
306.08975	0.1
312.06360	0.1
321.11325	0.8
365.13846	0.6
409.12924	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	409.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29687	0.1
69.32819	0.1
69.54858	1.1
73.74334	0.2
77.03968	0.3
89.03988	0.2
91.55442	0.1
91.99619	0.1
93.03456	0.2
95.05016	0.2
98.20636	0.1
102.49637	0.2
105.03466	0.5
115.01896	0.3
121.02988	0.8
122.03803	0.2
123.04536	0.2
132.02162	1.9
133.02956	32.0
134.03282	1.7
135.04507	0.3
149.02441	7.0
150.03230	10.0
151.03545	0.6
160.01697	0.2
161.02441	100.0
162.02774	6.3
163.03989	0.3
178.63237	0.1
191.69124	0.2
241.36940	0.1
247.09683	0.8
261.02057	0.1
268.07361	0.6
312.06406	0.4
407.33215	2.4
408.33707	0.4
409.12933	1.0
409.34866	0.3
427.35910	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	409.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90309	0.1
54.00917	0.1
59.01379	0.2
64.67094	0.2
69.33409	0.5
69.33836	0.9
70.14336	0.2
77.03954	0.1
77.52510	0.1
80.18811	0.1
87.37743	0.1
97.86103	0.2
105.03474	0.5
114.15911	0.2
115.01889	0.2
121.02899	0.2
132.02158	1.7
133.02960	31.2
134.03279	1.6
135.04547	1.3
137.02423	0.2
146.03725	1.3
149.02473	0.3
150.03230	0.5
159.04445	0.2
160.01712	0.2
161.02446	100.0
162.02789	5.7
163.07634	0.6
172.05305	0.2
174.03204	3.4
174.06761	0.2
175.04010	0.7
175.07645	1.3
178.02641	0.2
179.03510	2.0
186.03130	0.2
200.04765	1.3
202.06326	0.3
203.07138	6.6
204.07486	0.5
218.05814	0.4
229.08720	0.6
247.09738	3.6
248.10083	0.4
267.06482	0.2
409.12781	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	409.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
59.11534	0.2
62.61457	0.2
69.01946	0.2
69.39490	0.7
69.39918	1.5
69.64651	0.2
71.05019	0.2
87.53561	0.2
105.03494	0.3
109.02914	0.4
114.72312	0.2
115.01926	0.3
132.02190	1.8
133.02959	29.6
134.03294	1.1
135.04530	0.6
146.03732	0.5
147.04440	0.2
149.02440	0.4
149.06097	0.3
150.03206	1.3
159.04510	0.3
161.02448	100.0
162.02777	5.5
163.04068	0.4
174.03203	1.4
175.04013	0.6
175.07603	0.3
187.03989	0.4
190.02692	0.6
190.06339	0.3
200.04799	0.6
201.09259	1.1
203.07146	1.1
205.08675	0.5
215.07019	0.3
217.08731	0.4
218.05870	0.2
218.09477	1.0
219.10107	0.6
229.08699	1.9
241.65462	0.2
247.09714	5.2
248.10088	0.6
273.07870	0.3
365.14026	0.8
409.12943	0.8
409.31235	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	409.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42901	0.2
67.32547	0.2
69.39630	1.6
71.56792	0.2
71.66873	0.2
77.03963	0.4
83.01516	0.2
89.04030	0.2
89.57597	0.2
90.49548	0.2
93.03462	0.4
95.01380	0.2
98.19804	0.4
105.03481	0.6
115.01899	0.3
117.03461	0.3
121.02934	1.1
132.02141	2.0
133.02956	32.1
134.03288	1.6
135.04587	0.3
149.02440	8.2
150.03226	13.7
151.03564	0.7
161.02443	100.0
162.02777	5.4
163.04082	0.2
175.07648	0.5
190.44582	0.3
247.09781	1.0
268.07330	1.4
312.06406	0.6
409.12891	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	409.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00007	0.2
60.99294	0.4
70.23034	0.7
77.03979	0.3
80.02683	0.3
81.55933	0.2
89.03980	0.2
93.03451	0.3
104.02631	0.2
105.03472	0.4
109.02911	0.2
116.38591	0.2
121.02961	1.0
122.03770	0.3
122.38091	0.2
132.02168	1.7
133.02954	33.1
134.03270	1.3
135.04538	0.4
137.09735	0.3
149.02448	5.8
150.03223	12.9
151.02489	0.2
151.03555	0.7
152.69414	0.2
160.01688	0.2
161.02438	100.0
161.15930	0.2
161.90636	0.2
162.02774	5.7
163.04010	0.5
247.09703	0.8
263.88614	0.2
268.07327	0.8
268.77078	0.2
311.05585	0.2
312.06406	0.4
350.03131	0.2
377.28659	0.2
391.29810	0.3
405.31665	0.2
407.33179	10.4
408.33524	1.6
409.12891	0.7
409.35010	1.3
427.35843	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	409.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98833	1.6
70.03389	1.5
71.01382	2.2
72.99284	0.4
73.02956	0.7
75.00877	0.8
79.95735	3.5
80.96518	3.4
85.02965	1.1
87.00879	0.8
96.96014	100.0
97.95959	0.7
99.00881	0.6
99.14638	0.3
101.02423	1.0
108.02174	0.9
113.02444	0.8
114.53576	0.3
118.62436	0.3
122.97565	0.5
123.04539	0.7
138.97066	9.3
143.03513	0.4
150.97066	1.0
152.01134	1.9
159.14915	0.3
164.98590	1.1
167.03510	2.8
168.98172	0.7
180.98125	0.5
222.99170	2.1
241.00237	47.1
242.00571	2.1
270.16516	0.4
278.42801	0.4
317.87015	0.3
409.04446	29.8
410.04840	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	407.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.23316	0.6
60.01723	0.8
61.69134	0.7
61.98827	0.7
71.01395	0.9
72.99321	2.9
77.93324	0.6
81.09819	0.7
81.36246	0.7
109.02957	1.4
115.39111	0.6
124.17574	0.5
133.02948	4.3
134.03665	0.9
135.04541	4.2
136.04837	0.7
149.02510	1.0
151.04015	1.4
152.71773	0.6
161.02457	11.2
161.03688	0.8
162.02855	1.4
179.03549	2.2
187.03967	0.7
201.05550	1.4
202.06378	0.9
237.02040	1.3
245.08249	1.4
253.05043	1.0
261.00003	0.6
270.85538	0.7
290.02277	1.7
291.03152	2.8
310.04785	0.8
347.17175	0.8
389.10291	1.5
404.89310	0.7
407.11490	7.1
407.16635	1.1
407.29440	3.0
408.11935	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.49709	0.8
60.01705	1.0
70.60654	2.4
70.61021	0.8
71.01382	1.7
73.02962	1.0
101.02493	1.1
113.02467	1.2
161.04704	0.8
287.14578	0.9
305.15982	1.5
347.16995	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71154	0.5
59.01381	100.0
60.01706	1.6
61.98832	1.0
63.22466	0.5
69.52698	1.2
69.53118	2.4
71.01379	3.6
71.05016	0.7
72.99332	0.6
73.02953	2.2
74.99088	0.8
83.01390	0.7
83.05028	0.5
85.02961	1.0
85.97555	0.5
89.02451	1.7
93.49633	0.5
101.02451	3.6
113.02488	1.5
115.07832	0.5
119.03523	0.8
123.66451	0.5
125.02437	0.9
135.04567	0.8
150.87292	0.5
159.10263	1.2
161.04573	1.4
189.33482	0.5
190.05124	0.9
217.96696	0.5
231.07831	0.6
243.04099	0.8
243.11263	0.6
257.05579	0.6
259.07281	1.6
271.07294	0.7
287.10483	3.0
305.16125	0.6
313.08313	3.8
314.08649	0.7
331.09445	1.8
347.16971	2.7
362.25781	0.5
365.18250	1.2
373.14401	0.5
375.08630	0.8
407.10788	2.5
407.19168	3.2
407.26511	1.6
408.19434	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	407.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69601	4.9
54.57779	4.8
56.63227	4.1
59.01384	7.7
59.61663	4.6
61.98839	9.8
65.99448	4.6
66.81225	4.8
69.88657	28.6
74.02464	11.5
109.02728	4.7
116.05068	34.5
128.55959	4.7
142.06613	8.6
159.09128	7.7
172.31624	5.2
203.08264	100.0
204.08527	14.2
218.24191	5.1
221.47383	5.3
257.20346	4.8
321.24051	5.1
429.26434	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	407.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90213	2.8
59.01380	100.0
61.98819	11.3
69.87009	5.6
69.87412	11.5
71.01381	10.4
73.02935	4.8
73.54874	2.8
74.89366	3.4
75.00877	4.8
83.01379	4.1
85.02960	5.6
93.03452	4.0
98.19898	4.4
101.02431	8.2
109.02936	13.6
113.02447	3.9
117.03468	9.3
119.05053	7.0
121.02897	4.8
123.04549	5.1
125.02415	10.4
133.03006	3.9
135.04552	8.8
137.02415	9.2
142.41353	2.9
145.02933	19.0
149.02435	3.9
161.02451	6.3
162.03215	3.5
163.04005	8.8
164.01180	5.3
166.02719	6.8
171.10353	6.5
205.05032	3.5
235.06082	3.6
237.05736	11.2
243.02109	2.9
267.02719	5.2
270.48871	2.9
278.71545	3.3
281.06717	4.9
284.03229	6.6
285.04105	4.2
296.06168	4.3
407.11057	10.3
407.18900	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	407.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98824	7.5
64.29733	1.7
64.57446	1.8
69.77534	3.1
69.77950	7.8
71.01382	29.0
72.98000	2.1
72.99309	7.6
73.02948	18.8
83.01384	3.7
83.05064	2.5
85.02959	8.2
87.00875	5.7
89.02431	16.7
99.92603	2.3
101.02446	21.1
113.02479	12.4
115.00388	5.8
115.07634	3.1
116.05068	4.3
119.03490	4.2
119.05002	4.6
121.02997	3.1
124.81246	1.9
135.04417	2.5
144.45480	1.9
145.02997	3.6
146.73917	2.1
150.03152	2.0
151.03999	2.1
158.06113	3.9
159.02992	2.2
161.04533	7.8
165.05554	2.7
175.02477	16.7
179.03424	3.9
179.05592	3.8
185.02150	6.0
194.05975	2.8
209.08107	4.8
227.12721	4.1
243.09909	2.4
347.17133	6.7
407.15985	3.3
407.19516	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	406.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35566	1.4
57.03432	3.8
58.00573	1.7
58.02974	15.4
59.01381	82.6
60.01704	4.6
61.98815	3.0
71.01385	33.3
71.05016	1.6
71.62611	2.4
72.00919	1.7
72.01716	2.6
72.99289	4.4
73.02584	2.2
73.02950	27.1
74.02477	29.9
74.03287	3.8
75.00864	3.2
81.04558	1.7
82.02969	5.8
83.01379	9.7
84.04541	2.1
84.85639	1.3
85.02944	10.8
85.24249	1.3
86.02489	13.5
86.06108	2.7
87.00880	8.5
87.04507	4.6
87.05624	4.4
89.02448	16.1
95.01404	1.7
95.04986	1.5
97.02930	1.3
97.04053	5.2
97.06573	3.3
98.02464	2.2
99.00878	2.6
99.05650	27.8
101.02442	32.0
101.07205	4.5
102.02784	5.0
102.05590	5.4
107.06126	2.9
109.04073	4.2
111.00873	4.3
111.05650	2.3
112.02812	1.5
112.04065	3.1
112.98830	2.6
113.02454	13.1
113.04300	2.3
115.00351	3.0
115.03969	1.4
115.07645	1.8
119.03489	5.9
123.05579	1.7
124.03994	2.3
125.03570	3.6
127.05123	5.7
128.03543	74.3
129.01865	1.7
129.03853	2.2
129.09210	3.3
130.06189	2.7
131.03494	1.9
133.06941	18.4
135.04692	2.6
135.05617	10.2
137.07181	2.1
139.07581	1.8
140.44926	1.4
141.06631	3.0
143.04622	100.0
144.04959	3.9
145.06192	3.8
146.04622	13.5
149.04521	1.9
153.06735	7.5
155.08273	2.4
157.08690	4.7
159.10258	15.1
161.04512	6.0
161.08247	1.6
165.09169	1.8
166.09836	5.2
167.04588	3.5
167.08228	5.3
170.03232	2.0
171.04076	3.8
175.02475	6.8
179.03214	2.3
179.04597	23.8
181.06288	3.1
183.10245	17.6
184.10640	17.0
185.05634	1.9
192.07687	2.5
195.16605	1.4
197.05682	5.7
203.12930	1.9
210.08855	24.0
227.12776	1.6
228.09758	1.5
231.46864	1.3
249.06311	2.0
254.07809	54.0
255.08002	4.1
272.08871	53.6
272.11887	2.5
273.09076	4.9
277.12195	9.6
341.25452	1.5
347.17029	10.6
359.64969	1.6
365.18082	12.9
378.10425	1.7
388.11334	1.9
388.15430	10.6
406.16632	71.4
407.15842	10.7
407.18887	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	406.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21775	1.8
57.03424	1.6
57.59093	1.5
58.02971	14.5
59.01382	40.9
61.98829	1.6
66.03502	1.9
69.50095	9.4
69.50504	2.6
71.01378	15.5
72.00901	3.2
72.99296	13.3
73.02947	8.2
74.02473	26.8
78.02026	1.7
81.04575	2.1
82.02989	4.1
83.01397	2.8
85.02945	4.9
86.02473	13.0
87.00866	4.1
87.02735	2.1
87.05616	6.3
89.02429	8.9
97.04050	4.4
98.20648	2.7
99.05642	27.9
101.02441	13.6
101.07195	5.5
102.05594	5.3
107.06144	2.4
109.02938	2.1
109.04044	5.5
111.05637	3.3
112.04029	3.7
113.02437	7.3
119.03501	4.1
123.04594	2.2
123.05583	3.3
124.07579	1.9
125.03546	4.5
127.05140	7.0
128.03546	77.8
129.03824	2.2
133.06929	17.6
135.05676	7.9
141.06696	3.6
143.04623	100.0
144.04944	2.5
145.06177	5.1
146.04599	9.3
153.06682	5.7
159.10242	1.8
161.04538	3.6
166.09836	4.6
167.04607	5.1
167.08214	6.9
170.03342	3.5
171.04120	3.1
179.03183	2.1
179.04587	23.8
181.06206	3.1
183.10263	4.1
184.10754	4.6
185.05693	3.8
192.07715	2.2
197.05650	6.6
210.08842	24.1
211.09229	1.9
220.10008	2.4
228.09843	2.1
254.07828	52.3
255.08107	4.1
272.08884	51.0
273.09241	3.8
277.12234	5.3
344.12524	2.4
347.17120	3.1
365.18121	4.3
388.15411	7.4
389.15793	2.4
406.16507	60.0
407.16556	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	406.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	6.5
61.98516	1.4
61.98833	26.8
65.67928	0.8
69.50310	5.2
71.01389	3.9
72.99314	6.8
89.02429	2.9
90.67204	0.7
101.02449	1.8
109.02978	1.2
113.02470	0.9
119.05020	5.0
120.97661	0.8
123.04477	1.1
133.02962	16.4
134.03671	0.7
135.04523	19.0
136.04852	0.8
137.02492	1.1
161.02446	100.0
162.02774	6.5
163.04027	9.4
179.03445	4.5
181.05063	25.8
182.05420	2.0
187.07677	2.7
195.62227	0.7
197.04611	2.2
231.10320	0.9
275.09286	1.0
293.10269	2.6
343.08252	12.9
344.08490	1.6
405.21478	1.4
406.21744	7.3
415.84592	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	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01714	1.3
61.98838	0.9
71.66180	0.5
72.99310	3.4
88.98807	0.9
109.02933	0.4
132.02188	0.8
133.02954	6.6
134.03737	1.0
135.04510	3.6
159.04544	0.7
161.02452	16.6
162.03236	0.7
172.05421	0.5
174.03340	0.6
178.02742	0.6
179.03442	2.8
187.64426	0.4
197.04584	1.0
211.33531	0.6
217.08615	1.0
247.09825	0.8
291.08768	1.4
305.22894	0.4
359.07761	1.1
405.27750	0.7
429.21158	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03439	2.5
58.00578	1.8
58.02965	2.0
59.01383	100.0
60.01718	1.4
61.98815	1.5
69.03453	2.2
69.34904	2.2
69.35305	8.0
71.01386	47.3
72.01752	1.3
72.99307	3.8
73.02950	76.9
74.02474	6.1
75.00880	1.3
83.01393	20.9
85.02952	6.1
86.02475	1.3
87.00868	1.2
87.05674	1.3
89.02442	12.1
93.07088	1.6
95.01398	1.4
97.02949	1.5
99.00886	1.6
99.05654	3.7
101.02448	56.4
101.07167	1.1
102.02780	1.3
113.02459	13.1
119.03497	6.0
121.10233	8.5
123.03261	1.7
125.02464	2.0
125.03534	1.2
127.05145	1.2
128.03542	14.0
131.03496	3.6
133.06964	2.4
135.05658	1.9
136.83022	0.9
138.05591	3.4
141.06642	1.0
143.03526	2.8
143.04614	18.4
145.06288	1.1
146.04591	1.5
149.04579	4.7
153.06665	1.9
155.03571	1.6
159.02965	1.3
161.04567	14.7
165.09224	7.0
179.04625	4.0
183.10265	85.7
184.10561	6.9
190.05162	1.1
204.06595	1.6
204.50418	1.0
210.08824	3.9
220.06154	2.1
221.06644	1.2
222.07680	4.3
249.72374	1.0
254.07741	10.2
272.08902	10.2
277.12341	1.8
343.54309	1.0
344.12411	1.0
345.15460	1.5
363.16534	4.0
373.10428	1.1
388.15784	1.9
405.17664	38.7
406.16724	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	405.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39223	11.1
58.57195	10.1
59.01383	100.0
61.98840	11.9
71.01382	23.2
73.02942	14.9
79.98896	11.7
82.29536	11.9
83.33013	10.7
98.20715	21.5
100.82335	9.3
161.02544	10.8
230.32996	14.3
277.35382	10.6
365.55133	11.9
405.16956	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
58.00605	1.3
59.01385	28.6
71.01388	15.4
72.99313	1.5
73.02943	3.2
85.02946	3.7
87.00903	0.6
89.02448	16.0
95.01384	1.5
95.05019	1.2
99.04511	0.8
101.02449	7.5
113.02452	4.7
119.03494	5.4
143.03482	0.6
147.12706	0.6
163.11272	3.9
178.13972	0.6
179.05602	1.1
181.12343	25.1
182.12698	1.9
207.10182	0.9
225.11319	100.0
226.11642	7.3
243.12411	1.5
278.07761	0.6
283.11026	0.7
327.10205	0.7
373.09390	1.3
374.86395	0.7
405.17596	31.1
406.18073	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	405.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73612	0.4
55.01881	1.1
56.15464	0.5
57.03445	0.6
59.01383	23.3
62.33364	0.5
68.99793	1.0
69.86372	2.2
71.01382	8.8
71.01759	0.7
72.99292	0.6
73.02940	2.6
77.03991	0.5
83.01401	1.7
85.02961	3.9
89.02447	1.8
93.03461	28.7
94.03796	1.0
95.00864	0.4
95.01363	2.1
95.05026	5.1
96.99312	1.4
99.00884	0.6
101.02447	6.5
105.03477	0.7
105.44397	0.5
108.02200	1.4
113.02464	4.6
121.02949	2.7
123.04527	100.0
124.04840	4.7
127.40058	0.5
135.04544	0.8
136.01657	2.5
137.02448	51.4
138.02795	2.0
139.11284	1.0
147.04539	1.0
149.02457	1.8
151.04059	0.7
161.02438	0.5
161.04596	0.8
161.07263	0.5
163.04092	0.6
179.03453	0.7
183.10271	13.2
184.10574	1.1
190.02394	0.5
191.03539	1.0
204.61691	0.4
207.10225	0.6
221.04520	1.2
243.12425	2.1
281.06665	61.1
282.07019	5.7
285.12555	1.9
311.10269	2.1
345.14917	0.8
384.40045	0.5
404.53745	0.4
405.11911	38.2
406.12152	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	404.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34908	0.2
59.01375	1.3
61.98831	4.0
65.28903	0.3
69.30700	1.8
69.31117	0.5
71.01371	1.0
72.99294	0.4
73.02948	0.3
85.02985	0.2
89.02454	0.3
92.05044	0.3
93.21671	0.2
96.96030	0.5
109.02975	0.5
120.04546	0.3
121.02914	0.4
123.82884	0.2
133.05365	0.4
134.06146	0.4
135.04538	0.4
146.03690	0.3
149.02422	0.9
161.02434	0.9
162.02718	0.2
171.08090	0.3
172.03975	0.2
174.05643	0.3
176.19814	0.2
179.03354	0.4
179.36597	0.2
184.05258	0.3
187.07622	0.4
196.07643	0.5
197.06108	0.3
199.06119	0.5
199.07855	1.8
213.04355	0.5
213.07854	0.3
214.08719	0.9
215.07159	0.5
223.06436	0.2
224.07109	1.3
226.05063	2.8
227.05853	3.7
228.06276	0.3
240.06711	1.9
241.07350	1.3
242.08226	100.0
243.08556	9.7
259.04773	0.4
404.13562	5.9
404.19189	0.4
404.25012	0.4
405.09207	0.3
405.13852	0.8
405.21002	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	404.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	59.0
60.01722	2.3
61.98834	100.0
69.03461	1.6
69.64084	6.2
71.01387	17.3
72.99326	3.0
73.02968	4.1
74.61761	1.2
75.00871	1.3
83.01376	1.5
83.05043	1.4
85.02965	5.6
87.00897	4.4
89.02445	15.2
90.02803	1.4
94.57536	1.3
95.51985	1.2
99.00888	2.8
100.55176	1.3
101.02454	11.0
109.02952	2.2
111.00930	1.2
111.99817	1.1
113.02434	7.2
115.00369	2.9
116.92884	2.2
119.03502	5.3
119.05047	1.4
121.82931	1.1
135.04533	33.7
135.08243	1.4
135.19675	1.2
136.04869	2.4
137.02519	1.7
149.04613	1.3
149.11043	1.2
151.07281	1.2
151.12456	1.5
155.71745	1.2
161.02458	3.4
161.04515	3.4
162.06950	1.5
162.10014	1.3
163.07613	1.2
163.11223	2.4
165.09215	2.6
166.05103	2.4
169.08727	3.0
175.02473	8.3
179.03493	46.9
179.05145	2.4
180.03871	3.3
180.07928	2.9
181.08540	7.0
181.77515	1.2
182.09010	5.4
183.10281	14.2
213.07739	1.7
223.09799	1.6
224.10176	2.8
225.11180	2.0
232.73500	1.1
281.06668	2.8
341.08768	20.1
342.09192	1.8
404.11603	2.0
404.15991	8.1
405.13498	1.8
405.17673	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	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	25.9
61.98840	100.0
63.85294	18.1
65.94766	15.3
78.95905	19.7
79.68156	18.7
98.20716	39.6
113.70097	17.1
133.02950	19.6
161.02477	22.3
197.78212	16.5
215.04291	17.3
257.55630	17.9
259.04260	18.9
269.04340	18.9
270.28101	18.9
306.15048	20.4
375.85522	20.8
393.80264	19.0
403.15558	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	404.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
61.98832	100.0
70.43990	0.5
70.63728	0.8
70.64090	0.9
71.01385	1.2
73.34042	0.4
74.71755	0.4
75.08950	0.4
79.51082	0.4
85.02970	0.6
89.02440	1.2
91.43658	0.4
101.02443	0.9
113.02446	0.7
117.16111	0.4
135.04544	6.6
161.02477	0.8
179.03482	12.6
180.03876	0.7
214.80247	0.5
260.35916	0.5
293.44019	0.5
341.08731	2.1
404.16620	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	403.1972
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
51.76177	0.6
55.01879	2.0
57.03444	2.3
57.68373	0.5
58.00592	1.0
59.01384	64.1
60.01727	0.9
60.61652	0.6
61.98831	3.9
63.35894	0.7
69.03465	1.2
69.37876	1.4
69.38282	4.7
71.01387	30.3
71.05008	0.9
72.99314	2.3
73.02949	11.6
81.03423	0.7
82.60159	0.6
83.01379	5.3
85.02953	10.6
86.00117	1.1
87.00870	5.7
89.02449	7.9
89.36079	0.6
93.03443	0.7
95.01396	2.5
97.02968	1.4
99.00893	2.5
101.02451	19.0
102.02747	0.8
109.02933	0.9
113.02444	7.3
119.03487	2.3
121.02979	1.0
122.03751	0.7
124.01731	0.9
125.02437	2.1
131.03560	0.6
131.69157	0.6
133.02890	0.9
135.04510	2.2
137.02437	1.0
141.09219	0.6
143.03508	1.1
161.02461	1.5
161.04579	1.2
167.03569	0.9
167.14522	0.6
175.12730	0.7
179.03452	1.3
181.12332	6.3
199.13394	7.3
199.51183	0.6
209.02774	1.0
242.08328	0.9
266.08224	1.1
317.19809	0.9
343.17627	19.7
344.17957	2.2
358.12793	2.9
359.13416	0.7
361.18677	43.2
362.19028	5.7
403.05099	1.9
403.19736	100.0
404.20074	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	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
50.96551	1.4
57.03436	3.1
58.00589	2.7
59.01382	94.4
61.98830	11.5
67.05533	1.7
69.67432	7.5
71.00982	2.8
71.01385	50.8
72.99311	7.6
73.02956	8.4
83.01363	2.2
83.05052	1.6
85.02946	10.4
86.73429	1.5
87.00880	3.6
87.04525	4.1
89.02448	59.0
93.03467	3.5
95.01393	3.3
97.02950	4.8
98.19943	2.4
99.04525	5.6
101.02448	23.1
109.02935	1.6
113.02448	23.5
115.25420	1.6
119.03506	24.3
123.04544	2.8
123.08202	4.5
124.05353	3.1
130.08838	1.6
131.03482	2.7
133.10269	1.9
135.04550	4.8
135.11809	3.9
137.02461	4.7
139.00381	2.1
143.03465	3.4
145.03006	1.6
161.02541	2.9
161.04640	4.2
161.09694	2.3
167.07100	12.2
177.09305	1.7
179.03528	2.9
179.05649	7.5
179.10774	42.8
180.06647	1.8
180.11171	3.3
193.05096	1.9
197.11723	3.6
223.09752	100.0
224.10046	9.2
241.10832	17.9
242.08202	4.1
260.09302	2.0
299.95480	1.8
311.10101	2.2
343.12692	7.1
373.13144	3.1
385.14355	2.3
402.22528	1.7
403.15674	14.3
403.19955	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83347	0.9
55.01854	1.1
57.03437	2.4
58.00581	4.2
59.01382	100.0
60.01701	1.5
61.98832	3.6
71.01385	45.7
72.99310	4.4
73.02943	4.5
75.00918	1.1
83.01382	2.4
85.02961	11.2
85.21631	1.0
87.00869	2.8
89.02451	53.1
95.01379	4.2
99.00880	1.9
101.02444	32.6
113.02458	17.7
119.03498	25.7
123.08159	2.2
131.03529	1.3
137.02467	1.4
143.03503	2.9
145.09802	1.9
148.03993	1.7
161.04564	4.1
162.09859	1.1
163.07668	1.2
175.02663	1.4
176.03452	2.0
179.05583	3.4
179.10768	43.3
180.11104	4.4
181.08676	1.8
197.11781	6.0
204.03014	2.1
223.09752	16.4
224.10075	1.2
225.11317	4.2
227.08397	1.6
231.84317	1.1
241.10884	7.8
283.11310	1.7
309.08786	2.4
327.09924	2.6
343.13937	2.3
359.12799	1.9
359.17007	9.9
385.14877	1.3
403.11612	5.9
403.16052	90.9
404.11670	2.7
404.16403	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	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03445	2.7
59.01381	96.0
60.01726	2.1
61.98823	8.0
69.03438	1.7
71.01385	16.1
71.62209	2.3
72.99323	1.8
73.02951	17.8
74.02460	1.6
83.01360	2.7
83.05009	1.6
85.02950	5.0
87.00871	3.1
87.04513	9.7
89.02448	10.5
93.03443	1.9
97.02967	5.5
99.04514	3.1
101.02448	8.4
107.04974	1.1
108.02138	1.9
109.02936	4.3
111.04568	1.4
113.02462	5.9
115.04003	2.7
119.03487	4.6
119.08663	1.4
121.06612	1.6
123.08138	5.7
133.02969	1.9
135.04529	3.0
135.11844	1.6
137.02451	3.6
137.09721	5.1
153.01917	1.4
161.02400	4.0
161.04536	1.9
161.09712	4.1
163.07637	1.6
167.07138	22.1
179.03456	1.3
179.05652	1.7
179.10764	7.7
181.08707	7.8
197.11818	35.5
198.12093	3.4
199.13423	1.3
220.06097	1.5
221.06606	1.0
223.09831	8.1
241.10815	100.0
242.11134	8.2
261.98248	1.1
264.04953	1.3
265.10855	3.2
278.47595	1.4
283.11957	3.3
284.12054	1.3
313.12787	2.4
338.33997	1.1
343.13934	5.7
343.21136	1.4
352.03793	1.2
403.11356	2.1
403.15866	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	403.1608
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
53.81810	1.2
53.85173	1.2
56.65050	1.2
58.00585	4.7
59.01379	100.0
61.86668	1.3
62.30841	1.4
64.07494	1.5
70.66079	4.6
71.01383	50.1
72.99311	3.8
83.01406	1.7
85.02959	10.1
87.00843	1.8
89.02444	59.8
95.01376	3.3
101.02443	32.7
106.63166	1.5
108.29634	1.3
113.02455	22.2
115.34686	1.4
119.03499	26.9
131.03470	1.4
139.86891	1.5
143.03581	2.9
149.04517	2.4
161.04573	3.0
179.05594	4.8
179.10770	49.0
180.11057	4.4
195.39090	1.5
197.11842	3.5
198.12225	1.5
223.09746	17.1
224.10158	1.6
241.10757	4.6
359.17123	10.2
403.16058	89.7
404.16440	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	403.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02687	1.2
55.01868	1.8
57.03453	2.8
58.00583	1.9
59.01377	81.9
60.01695	1.5
60.77081	1.1
61.98829	49.0
67.01870	1.2
68.99827	1.7
69.03433	1.5
71.01385	39.2
71.62005	1.9
72.99310	3.8
73.02940	2.7
74.12831	1.1
74.13226	1.2
76.62688	1.1
78.95893	1.3
82.78479	1.0
83.01387	5.4
84.60702	1.4
85.02936	9.7
85.03328	1.0
87.00880	2.4
89.02442	33.4
90.02806	1.9
93.03458	22.4
95.01386	6.9
95.05009	1.4
97.06614	1.9
99.00879	1.9
101.02442	25.1
107.05005	2.0
108.02161	3.1
109.02962	2.1
109.06602	2.3
111.00895	4.1
113.02438	11.7
119.03499	16.0
121.03029	1.3
121.05149	1.6
121.06525	1.1
123.00890	17.0
123.04538	1.6
127.00380	2.8
129.09248	1.5
131.03500	1.4
135.04567	2.2
135.08133	6.6
136.01682	1.3
136.98824	1.9
137.02444	53.8
138.03258	8.3
139.00348	9.5
139.07634	4.5
140.07951	1.8
145.06569	2.3
149.04474	1.5
149.09689	2.1
151.00401	2.1
152.01161	3.0
152.04799	1.5
153.01796	1.5
153.05557	2.8
161.02452	6.2
161.04556	3.2
161.09723	16.1
162.10075	1.6
165.01898	9.9
166.02202	1.2
179.03523	9.0
179.05621	2.8
179.10812	8.1
180.04187	3.9
191.10783	2.7
193.01405	20.7
194.01852	2.1
207.02966	1.9
208.03741	43.0
209.04196	2.6
219.22606	1.1
223.06113	100.0
223.09535	25.2
224.06509	7.3
224.10045	1.9
239.05534	3.0
281.06433	1.4
304.02612	1.3
323.56189	1.2
341.08740	3.9
403.12195	35.6
403.16156	40.7
404.12344	4.2
404.16556	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13128	1.3
55.01869	2.0
57.03445	2.9
58.00581	2.7
59.01384	83.3
60.01707	1.9
61.98832	55.2
65.83921	1.2
69.52741	5.0
69.53168	5.3
71.01385	38.3
72.99297	5.0
73.02938	2.8
73.48946	1.4
75.28400	1.3
83.01385	2.8
84.05915	1.3
85.02963	11.4
87.00867	3.8
89.02452	32.6
93.03462	22.2
95.01389	5.8
95.05006	2.2
99.00876	1.3
101.02445	24.3
102.02738	1.4
107.05013	2.7
108.02187	4.8
109.02975	1.9
111.00864	3.3
113.02464	12.7
119.03516	12.7
121.05012	1.6
121.06524	1.6
123.00890	16.4
127.00398	3.3
133.27290	1.5
135.04515	1.9
135.08150	10.9
136.01662	1.6
136.98863	1.9
137.02449	60.1
137.62248	1.3
138.03146	5.6
139.00394	10.2
139.07628	4.3
140.07970	1.7
149.09682	2.1
151.00389	1.9
151.04030	1.9
152.01125	2.2
152.04832	2.0
153.01874	1.6
153.05563	3.2
154.02782	1.5
161.02434	5.2
161.04541	3.8
161.09721	19.3
162.10052	1.7
165.01936	9.6
167.03535	1.9
177.90106	1.3
179.03458	6.4
179.05634	2.9
179.10751	7.5
180.04227	5.0
191.10728	1.6
193.01402	20.2
207.02928	3.4
208.03769	43.3
208.09163	1.5
209.04218	2.4
223.06122	100.0
223.09575	26.5
224.06464	7.5
224.10068	2.3
234.31557	1.4
239.05534	2.6
239.12662	1.4
278.69824	1.4
341.08777	2.5
399.37848	1.3
403.12195	37.9
403.16153	42.9
404.12045	3.5
404.17358	6.7
420.34927	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	403.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76776	0.7
54.85804	0.7
58.00596	1.2
59.01382	45.7
61.98830	17.5
63.06056	0.7
65.60480	0.7
68.99792	0.8
69.70380	0.8
70.94998	0.8
71.01385	22.3
72.99310	2.5
73.02944	3.1
75.00882	1.0
75.62343	0.8
83.01392	2.3
85.02949	6.4
87.00864	1.4
89.02453	17.6
93.03460	36.7
94.03785	2.0
95.01377	1.9
95.05036	1.4
99.00906	1.1
101.02443	13.0
107.04988	1.5
108.02167	1.5
109.02954	1.2
113.02440	7.3
119.03487	5.1
121.05071	3.8
124.05124	0.6
125.02469	1.0
133.02919	1.6
135.04515	1.9
135.08122	1.4
136.01671	2.5
137.02448	100.0
138.02794	5.1
143.03473	1.3
149.09705	0.8
151.04059	1.5
153.01942	1.0
161.02460	7.8
161.04503	1.3
161.09738	5.0
163.03986	1.2
179.03511	12.2
179.05580	1.3
179.10757	2.3
181.08737	0.9
189.63962	0.8
223.06352	1.0
223.09776	9.2
224.10199	1.2
239.05597	5.0
281.06610	2.3
293.16364	0.9
341.08667	4.2
373.18683	1.8
403.12280	65.3
403.16348	24.4
404.12137	8.2
404.16653	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	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67089	0.8
55.01857	1.1
57.25660	1.0
58.00595	3.1
59.01380	53.5
61.98832	100.0
69.03452	7.0
71.01385	63.4
71.56351	1.3
71.56687	1.3
72.01737	1.5
72.99313	2.8
73.02963	8.8
75.00865	2.6
81.03447	3.4
83.01408	4.5
83.76892	1.0
85.02950	9.9
87.00889	3.5
89.02446	72.7
90.02774	0.9
95.01363	2.7
97.02946	10.1
99.00887	14.2
99.04533	3.0
101.02448	14.8
102.02810	0.9
108.02180	11.9
108.93752	2.6
109.02966	16.0
111.00876	1.6
113.02430	7.9
115.04025	6.9
119.03493	3.2
121.02976	1.2
121.06488	1.0
123.00889	2.2
123.04510	2.7
125.02450	37.6
125.03525	4.0
126.02705	1.2
131.03499	9.3
137.02478	1.9
143.03506	3.2
149.04564	13.0
152.01122	0.9
161.04567	6.1
161.09709	0.9
162.71889	0.9
179.07079	1.1
183.57724	0.9
191.05638	6.4
214.97917	1.9
223.09805	1.5
233.06654	31.4
234.07001	1.8
240.93692	0.9
240.95741	5.9
244.07321	0.9
271.79196	1.1
285.39001	0.9
293.08810	31.5
294.09128	3.4
313.80429	0.9
329.08688	1.0
403.01407	1.2
403.12100	5.0
403.16739	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	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.8
61.98827	2.1
63.08378	1.1
69.88804	5.2
69.89218	2.5
71.01388	2.6
72.99309	3.5
73.02961	2.2
80.05052	2.4
82.17462	1.3
93.03467	7.6
98.19954	2.3
101.02390	2.3
107.39098	1.3
113.02464	1.2
121.02995	2.7
122.06139	8.6
123.00913	1.6
124.07680	3.7
130.02975	2.5
132.04552	25.4
133.02957	7.7
134.03746	1.5
134.06050	1.2
135.04523	11.5
137.02448	10.2
137.09709	1.4
146.02617	1.5
146.06039	1.5
147.03291	5.0
148.04047	3.2
150.05624	3.3
155.10756	7.0
158.02475	9.3
160.04036	11.5
161.02460	18.7
161.04628	2.6
162.05614	4.5
174.05592	3.5
176.03537	11.9
176.07173	5.0
179.03497	7.7
180.08240	1.5
183.09293	2.2
184.07678	1.9
190.05080	24.5
196.11401	2.2
199.09903	3.0
200.07101	1.3
209.07277	2.5
211.08698	1.1
211.12405	6.8
212.05760	2.8
212.10867	3.5
213.06688	2.6
215.11943	4.5
220.02400	2.4
223.04732	1.5
223.08826	3.5
224.07304	2.2
224.09474	15.7
225.06583	2.0
226.07541	3.9
227.08276	7.2
234.04070	4.7
235.04814	2.0
239.08279	3.3
239.11880	33.8
240.10229	7.2
240.12315	3.3
241.05084	1.4
241.09731	10.6
242.08206	5.6
243.12367	1.6
250.07507	2.3
252.05336	2.5
253.06177	26.9
253.09990	1.4
254.03613	2.6
254.06685	4.8
255.07597	4.3
255.11386	7.9
256.08377	2.3
265.09833	4.0
266.07779	1.6
267.07800	7.9
268.08478	12.8
281.09366	7.8
283.10895	77.5
284.11334	9.6
309.08844	21.8
310.09100	1.7
315.13681	2.1
327.09851	100.0
328.10126	13.9
341.11615	3.1
350.96426	1.3
353.07886	5.1
359.12363	4.7
371.08838	78.0
372.09094	9.6
403.11481	55.9
403.19757	2.3
404.11755	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	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.9
62.70768	1.2
65.83055	1.2
69.70326	8.6
71.01377	2.0
80.05038	2.2
93.72716	1.3
101.02417	1.4
104.05098	2.9
108.04568	2.1
113.78490	1.2
120.04555	2.1
122.06121	10.7
124.07654	2.6
130.02982	2.7
131.03792	2.1
132.04559	21.8
133.02991	1.5
134.06111	2.6
135.04555	2.7
136.04065	8.1
146.02438	2.1
146.06123	2.2
147.03258	3.3
148.03998	2.8
149.06326	1.2
150.05591	5.7
158.02473	7.0
160.04007	10.8
161.02425	1.7
161.04765	2.7
162.05591	3.5
163.02676	2.2
164.03539	22.7
174.05634	2.7
175.02771	1.5
176.03554	19.7
176.07127	3.9
183.09171	1.4
184.07668	2.3
190.05118	21.3
191.05565	1.8
196.11299	2.9
197.04793	1.7
199.08711	1.5
199.97670	1.2
204.03050	2.2
209.07135	2.6
211.06743	1.6
211.08688	2.9
211.12416	6.2
212.05887	4.2
212.10764	3.5
213.06479	2.3
213.10327	1.4
215.11830	5.4
220.02557	2.1
223.08797	4.8
224.07326	2.4
224.09496	16.2
225.06499	2.3
225.09923	1.8
226.07509	3.7
227.08315	9.6
228.08867	1.6
234.04170	1.8
237.10371	1.6
239.04521	1.9
239.08228	4.1
239.11896	34.1
240.10519	8.7
240.12390	2.2
241.09773	14.9
242.08150	3.5
250.07469	3.0
252.05403	2.0
253.06209	34.3
253.09328	2.0
253.09767	1.9
254.06706	4.5
255.07854	5.9
255.11331	9.5
255.73494	1.4
256.08115	2.0
265.09787	4.0
267.07733	10.7
268.08499	12.9
269.08994	2.8
271.07208	1.8
281.09314	8.5
283.10889	89.9
284.11176	10.1
294.06354	1.5
309.08820	28.0
310.09311	2.9
311.10233	10.2
312.10559	2.2
315.13345	1.8
327.09869	95.6
328.10217	13.0
341.11401	4.6
343.09393	1.4
343.13022	6.3
344.13068	1.4
353.07761	4.4
359.12387	3.0
371.08795	100.0
371.12579	5.2
372.09116	15.4
403.11392	57.7
403.16547	2.6
404.11597	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	402.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28592	26.4
61.98833	83.1
72.93150	33.4
80.45841	30.0
88.40574	28.1
88.91618	26.0
99.04520	30.9
121.03004	34.6
161.16301	31.2
165.05328	35.7
283.90131	29.7
336.52975	35.5
338.22598	38.9
402.27231	100.0
403.19705	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71766	0.4
59.01377	1.4
60.99309	15.5
62.61739	0.4
68.56439	0.4
71.62812	0.6
72.24728	0.5
87.92211	0.4
88.98809	100.0
89.99143	2.3
109.02930	0.5
119.83156	0.4
123.04485	1.0
129.71104	0.5
133.02982	4.1
135.04581	0.8
147.03438	0.4
151.03990	0.6
156.27979	0.4
161.02443	17.6
162.02809	1.5
269.08362	0.6
308.10864	0.5
313.07166	3.5
321.07700	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	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12180	1.8
55.01875	3.6
57.03447	10.8
58.00598	3.4
59.01379	100.0
60.01725	1.7
61.98814	1.9
71.01383	69.8
71.22375	3.5
72.01716	2.0
72.99320	9.7
73.02950	12.4
75.00869	11.0
83.01383	7.5
85.02953	26.7
87.00864	4.7
89.02447	51.1
90.02766	1.8
93.80838	1.7
95.01374	5.5
96.95981	2.3
97.20650	1.8
98.14921	1.9
99.00873	6.8
99.29970	1.9
101.02439	42.6
102.02757	2.2
107.05080	1.6
109.02946	6.2
109.06583	3.3
113.02448	34.3
119.03499	25.8
121.02946	4.4
129.01941	2.5
133.03032	1.8
135.04510	7.9
137.02486	2.0
138.01915	2.7
140.25673	1.6
143.03490	4.0
145.06519	2.1
151.07617	6.0
159.02916	3.0
159.11789	17.7
160.01688	2.6
161.02322	6.0
161.04591	15.2
161.09732	19.5
162.02185	1.8
164.04762	6.8
171.58961	1.9
175.04016	3.3
177.04512	2.0
177.12859	21.5
179.05655	3.9
179.07115	8.8
179.10817	2.1
182.02209	1.9
193.05028	2.2
197.04526	3.7
203.10802	13.8
221.11816	55.0
222.12083	5.1
230.46931	1.7
239.09174	10.3
239.12914	5.6
271.15604	1.7
286.13348	2.2
304.54193	1.8
311.65900	1.8
357.19263	3.2
363.35471	2.0
401.13971	3.7
401.18146	66.5
402.18433	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	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03460	1.9
58.00599	2.7
59.01381	100.0
60.01706	1.4
61.98836	2.6
67.42142	0.6
69.60129	3.9
71.01385	49.9
72.01720	1.5
72.99302	4.5
73.02966	3.6
83.01385	3.2
85.02953	10.5
87.00890	2.9
89.02446	58.6
90.02807	1.6
95.01407	3.4
95.05055	1.1
97.02961	1.7
98.19807	0.8
101.02445	26.4
107.05047	1.1
108.02174	11.6
108.02865	0.7
109.02969	12.4
109.06612	2.8
111.04532	0.6
113.02456	19.8
113.03238	1.3
114.02776	0.8
119.03506	23.9
121.02842	0.7
123.04545	3.0
127.00408	1.4
131.03539	2.6
135.04538	1.7
135.08167	1.7
136.05307	3.6
139.07733	0.9
141.05688	0.8
143.03534	3.5
146.03732	3.8
149.04605	1.8
152.01167	9.9
153.01958	5.4
161.04605	5.0
161.06097	3.1
163.11330	1.4
165.09218	1.3
176.08403	1.0
177.09233	1.5
179.05612	7.1
179.07185	7.6
190.35956	0.7
191.10785	8.4
195.10266	2.3
197.04558	0.9
198.89471	0.7
203.11057	0.6
209.11812	9.4
209.13440	0.7
221.11861	3.0
239.09250	7.6
239.12860	12.5
263.09097	0.9
271.92740	0.8
315.07532	1.1
335.75650	0.8
360.95969	0.7
383.17194	2.7
401.10492	12.0
401.18460	13.1
402.11179	1.3
402.18570	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	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01879	2.7
57.03447	9.6
58.00587	2.9
59.01384	84.3
61.98851	5.4
62.77866	0.8
68.99815	0.9
69.03452	1.0
69.75992	0.8
70.24097	0.8
70.30159	2.6
70.30537	1.7
71.01387	78.9
72.01720	1.7
72.53872	0.8
72.99309	7.8
73.02956	12.6
75.00860	6.2
81.03487	2.0
83.01393	4.9
85.02954	29.7
87.00874	4.5
89.02448	51.0
90.02807	1.3
93.03476	2.5
94.04287	0.9
95.01398	8.1
95.05039	2.9
97.02971	4.3
99.00903	8.5
101.02445	37.3
107.05033	3.8
108.02179	32.8
109.02966	20.4
109.06599	3.0
111.04524	2.1
113.02459	37.4
114.02808	2.1
119.03505	17.0
121.06612	4.5
122.03763	7.3
123.00872	1.2
123.04518	3.5
124.05305	18.0
125.02390	1.3
125.06131	4.6
127.03968	1.1
129.01952	1.9
131.03490	1.9
133.02962	2.4
133.06601	2.7
135.04514	14.9
136.05223	0.8
137.02451	2.4
137.06091	6.5
139.07655	100.0
140.07988	5.8
143.03519	2.9
147.08200	1.1
149.09711	8.5
151.03983	5.2
151.07654	1.4
152.01158	29.2
152.67320	0.9
153.01941	11.4
153.09192	1.0
159.02992	3.0
159.55165	0.8
161.04559	25.5
162.04871	2.0
163.07639	2.6
168.07916	58.4
169.08453	3.9
173.09682	2.0
175.07634	3.6
176.08417	3.1
177.09207	1.0
179.03493	3.4
179.05611	6.0
179.07037	1.5
179.10767	4.3
182.92442	1.1
191.10789	44.4
192.11150	3.8
195.10330	1.0
197.04506	1.9
209.11862	13.7
210.12090	1.0
221.11824	27.9
222.12224	2.1
231.05052	0.9
239.12880	46.6
240.13091	4.5
249.06091	6.5
267.07211	16.0
315.07208	1.4
357.08310	17.4
358.08737	1.9
371.17163	9.9
372.17523	1.3
383.10144	1.2
401.10867	40.3
401.18167	14.3
402.11053	4.5
402.18567	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	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71275	0.7
55.01876	1.5
57.03447	2.1
58.00595	3.4
59.01383	100.0
60.01715	1.7
61.98829	5.2
65.75848	0.7
69.03459	1.0
71.01385	59.6
71.62694	0.7
71.65745	0.7
72.01727	1.0
72.99305	5.4
73.02949	6.9
74.02478	1.6
75.00877	1.3
81.03464	1.7
83.01389	3.9
85.02950	14.3
85.03426	1.0
87.00889	2.3
87.04511	0.6
89.02451	58.0
90.02798	1.0
95.01416	4.0
95.01927	0.7
95.05021	1.5
96.26422	0.7
96.96073	0.9
97.02989	2.5
99.00890	1.6
101.02445	30.8
102.02830	0.7
104.74931	0.6
107.05064	0.9
108.02170	11.3
109.02966	10.5
109.06614	2.2
111.04530	1.1
113.02451	22.3
118.60239	0.6
119.03506	22.5
119.04950	0.9
121.02989	1.2
122.03762	1.6
123.04533	2.5
123.08178	0.7
125.02462	1.3
125.06056	0.8
127.00397	1.5
131.03542	2.9
133.02980	0.7
135.04546	2.8
135.08223	1.4
136.05298	2.7
137.06094	1.4
138.06850	3.9
139.07684	1.6
141.05553	0.8
143.03517	3.9
146.03760	4.1
149.04590	2.0
151.04079	0.7
151.07643	4.4
152.01160	10.0
152.08443	1.8
153.01921	4.2
153.09212	17.1
154.09544	1.5
159.03030	0.9
159.08034	0.6
161.02467	0.9
161.04594	9.8
161.06075	2.5
161.09785	1.3
163.11305	0.9
165.09187	5.6
166.09647	0.8
167.03531	1.3
176.08449	0.9
177.09264	1.9
179.03671	1.0
179.05638	6.1
179.07181	8.2
179.10803	1.4
191.10768	5.7
195.10248	3.6
203.10835	2.6
206.09496	2.0
209.11827	7.5
219.10271	1.2
221.08421	1.0
221.11801	13.3
221.99791	0.7
223.06219	0.7
237.06145	1.1
238.78406	0.7
239.09286	12.8
239.12863	14.5
240.09561	1.3
240.13400	1.3
311.19821	0.8
357.15454	0.8
357.21649	1.6
369.20984	0.7
383.17447	2.0
392.94757	0.7
401.10498	12.2
401.18439	10.9
402.11273	1.6
402.18747	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	401.1813
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
54.12180	1.8
55.01875	3.6
57.03447	10.8
58.00598	3.4
59.01379	100.0
60.01725	1.7
61.98814	1.9
71.01383	69.8
71.22375	3.5
72.01716	2.0
72.99320	9.7
73.02950	12.4
75.00869	11.0
83.01383	7.5
85.02953	26.7
87.00864	4.7
89.02447	51.1
90.02766	1.8
93.80838	1.7
95.01374	5.5
96.95981	2.3
97.20650	1.8
98.14921	1.9
99.00873	6.8
99.29970	1.9
101.02439	42.6
102.02757	2.2
107.05080	1.6
109.02946	6.2
109.06583	3.3
113.02448	34.3
119.03499	25.8
121.02946	4.4
129.01941	2.5
133.03032	1.8
135.04510	7.9
137.02486	2.0
138.01915	2.7
140.25673	1.6
143.03490	4.0
145.06519	2.1
151.07617	6.0
159.02916	3.0
159.11789	17.7
160.01688	2.6
161.02322	6.0
161.04591	15.2
161.09732	19.5
162.02185	1.8
164.04762	6.8
171.58961	1.9
175.04016	3.3
177.04512	2.0
177.12859	21.5
179.05655	3.9
179.07115	8.8
179.10817	2.1
182.02209	1.9
193.05028	2.2
197.04526	3.7
203.10802	13.8
221.11816	55.0
222.12083	5.1
230.46931	1.7
239.09174	10.3
239.12914	5.6
271.15604	1.7
286.13348	2.2
304.54193	1.8
311.65900	1.8
357.19263	3.2
363.35471	2.0
401.13971	3.7
401.18146	66.5
402.18433	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35071	0.5
58.00570	0.7
59.01381	67.0
70.88204	0.7
70.88528	1.4
71.01381	7.1
72.99321	4.7
73.02943	1.6
78.50912	0.6
85.02943	2.2
89.02449	7.9
95.01346	0.8
99.00874	0.9
101.02456	4.9
108.02184	6.3
109.02957	4.6
109.06566	0.9
113.02417	3.1
119.03510	2.5
120.96478	0.6
123.04531	1.9
124.05286	0.7
127.00327	0.6
134.03717	1.8
135.04526	100.0
136.04860	6.4
137.67595	0.5
139.07684	2.2
145.24312	0.7
146.03743	12.8
147.04202	0.8
151.04050	1.5
152.01138	5.8
153.01903	1.9
153.09273	0.7
159.12050	0.6
161.04597	1.9
161.06081	3.9
164.04788	9.1
168.07928	1.5
177.09161	0.8
179.03522	9.3
179.07127	35.4
180.03940	0.7
180.07491	2.4
191.10727	1.5
197.04538	4.7
209.11852	0.7
221.04601	0.9
221.08258	0.7
221.11835	1.0
239.05591	3.3
239.09286	1.9
239.12868	0.9
297.09787	2.8
341.08630	8.7
359.09976	3.4
401.10822	16.8
401.16400	0.8
401.18570	1.0
402.11099	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08349	0.6
59.01382	76.4
59.67056	0.7
64.77566	0.8
65.03925	0.8
67.01896	0.7
69.82324	3.9
71.01379	4.0
73.02927	2.0
75.65731	0.7
81.03461	4.9
83.01391	1.8
83.05027	4.9
85.02957	1.8
95.05026	7.8
97.02944	0.7
97.06599	2.0
101.02438	3.9
107.04974	0.7
109.02954	7.5
109.06613	9.8
111.04537	4.4
113.02465	2.4
120.10680	0.7
121.06606	1.2
123.04517	2.7
123.08238	0.8
131.03546	0.9
131.61612	0.8
135.08156	8.6
141.05589	7.9
143.03410	1.1
151.11292	1.2
159.08147	1.8
175.07664	1.6
175.11293	1.4
177.09213	18.7
178.09558	1.0
179.07156	1.3
195.10262	22.2
196.10646	2.6
201.59889	0.8
204.22862	0.8
219.10274	3.4
221.08247	5.9
225.11336	1.4
231.10078	1.5
239.09248	100.0
240.09540	7.6
241.78194	0.8
263.09283	7.2
281.10217	4.0
283.77573	0.8
311.11438	1.7
341.12421	7.6
380.61807	0.9
401.14508	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	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	84.9
65.68756	8.8
67.33257	10.2
70.65534	8.4
70.65862	20.6
71.01380	62.7
72.99308	10.6
75.00941	11.1
85.02959	19.6
87.00894	13.2
87.57436	8.0
89.02450	70.7
101.02431	26.7
108.02190	72.4
108.76608	9.1
109.02997	47.8
113.02448	34.3
119.03480	26.5
133.03020	9.2
135.04520	68.0
136.50183	10.5
137.56581	10.3
142.05089	19.5
147.37367	8.3
151.04042	11.3
152.01149	59.6
153.01903	20.2
179.05588	35.1
179.07045	13.1
249.06007	13.7
265.07071	11.0
267.07062	14.2
341.10989	100.0
357.08258	39.6
401.10825	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46016	0.8
55.65981	0.8
57.03432	1.3
59.01381	67.4
64.54853	0.8
71.01382	3.6
73.02930	0.9
81.00591	1.0
81.03459	4.9
83.01376	1.8
83.05027	4.4
85.02958	2.2
89.02444	2.5
95.05024	7.6
96.13911	0.8
97.06603	2.1
101.02435	4.7
109.02943	5.6
109.06593	10.1
111.04512	3.9
113.02468	2.6
115.88559	0.8
121.06532	0.9
123.04504	2.3
123.08158	2.0
127.73850	0.8
135.04494	1.0
135.08182	7.2
139.03998	1.9
141.05580	8.1
151.11243	1.2
159.08139	1.2
161.30402	0.9
177.09203	17.8
179.07106	1.7
195.10269	24.8
196.10542	2.0
203.10716	0.9
219.10272	3.1
221.08215	5.4
221.11734	1.1
229.49197	1.0
231.10240	1.1
239.09251	100.0
240.09602	10.4
263.09189	7.2
270.67102	0.8
281.10205	2.9
288.15961	0.8
311.11169	1.4
341.12369	9.6
342.12573	1.8
401.14560	4.4
402.14758	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	72.2
71.01377	7.6
71.62403	2.2
73.02939	2.2
73.75662	1.4
85.02924	2.2
87.00895	1.4
89.02441	4.6
93.03463	2.9
101.02428	5.6
103.06612	1.5
105.71806	1.4
107.05035	12.7
109.02959	9.7
110.93456	1.3
113.02429	4.1
119.03522	2.6
121.02964	2.1
125.02451	3.2
133.42683	1.3
135.04518	6.0
137.02444	4.7
137.06079	1.4
141.28792	1.4
153.01920	5.5
161.02437	5.9
161.04501	3.2
164.04762	1.9
169.01413	2.6
177.09196	2.4
177.70119	1.4
179.03491	100.0
180.03816	7.4
180.06241	1.4
197.08054	2.5
197.11803	1.6
198.18991	1.4
237.14305	1.4
239.09135	10.2
401.14127	3.2
401.18451	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03440	1.1
59.01382	15.9
59.67403	0.3
60.01701	0.7
61.18884	0.4
65.03969	7.8
67.01899	3.2
68.65392	0.4
71.01388	12.3
71.62602	0.4
72.99313	1.2
73.02950	8.9
75.00906	0.4
83.01387	1.6
85.02959	5.5
87.00893	2.0
87.04540	0.6
89.02454	4.2
91.01931	0.7
93.03436	0.4
95.01383	1.3
95.05051	0.4
99.00890	1.3
99.04513	0.3
101.02451	8.2
101.03082	0.7
103.04019	5.6
109.02956	100.0
110.03298	3.9
113.02460	4.6
119.03510	1.6
121.02964	0.5
127.00382	0.6
133.02942	1.3
135.00887	6.1
135.04529	1.6
137.09720	0.8
138.05629	0.6
143.03513	0.4
143.76285	0.4
145.05142	0.7
145.10132	0.4
151.03970	0.7
151.11258	0.4
153.01939	82.2
154.02266	3.9
159.02991	1.2
161.02444	1.3
161.04556	6.3
163.04031	0.5
165.09195	0.9
167.53123	0.4
169.44931	0.4
179.03627	0.4
179.05550	0.5
195.10258	0.8
202.58511	0.4
221.11893	0.9
221.15463	1.2
235.08194	1.7
239.05682	0.4
239.09235	1.0
253.07210	1.4
330.35205	0.4
344.10953	0.4
401.10886	15.6
401.18066	4.1
401.22147	1.0
402.11316	1.7
402.18011	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36762	1.2
57.03455	1.2
59.01380	55.4
60.00118	1.2
61.98831	2.4
69.03462	1.8
69.91393	5.8
71.01395	7.4
73.02956	10.5
73.19407	1.1
81.03454	6.0
83.01373	4.5
83.05016	3.1
85.02954	7.6
89.02412	1.7
93.03432	1.2
95.01395	3.6
95.05048	5.3
96.56422	1.1
97.06620	1.6
98.12264	1.0
98.19933	1.4
101.02477	6.1
103.03996	2.9
104.24802	1.1
108.02177	78.1
108.13683	1.1
109.02964	66.5
109.06598	9.4
110.03290	2.9
111.04510	4.0
113.02438	4.2
121.02950	1.8
123.00877	4.1
123.04504	3.1
123.08147	1.7
135.08192	6.7
141.05589	5.5
151.03990	1.6
152.01149	73.6
153.01949	35.3
154.02267	2.2
177.09200	11.2
179.07034	1.7
187.06581	1.1
195.10263	17.3
219.10231	1.9
221.08206	2.0
239.09242	69.1
240.09604	6.0
263.09158	6.0
276.88165	1.1
281.10364	3.1
315.07184	2.3
341.12253	3.3
357.08319	3.8
358.08835	1.5
371.10013	2.1
383.09875	6.7
401.10843	100.0
402.11145	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64000	0.8
55.86745	0.8
59.01091	1.8
59.01380	28.5
69.38834	4.9
69.39261	2.6
71.01386	5.6
72.99331	0.8
73.02943	9.9
77.40318	0.9
78.90814	0.8
81.03464	3.7
83.01384	1.3
83.05011	1.2
85.02962	5.7
95.01385	3.1
95.05012	3.7
98.20658	1.8
101.02431	4.5
103.04002	3.6
108.02177	76.3
109.02966	60.0
109.06562	4.3
110.03255	2.5
111.04515	2.3
113.02440	1.4
115.38573	0.9
121.02905	1.2
122.56692	1.0
123.00862	2.3
123.04538	1.5
135.08131	3.6
141.05577	3.1
151.03972	1.4
152.01154	74.6
153.01945	26.1
154.00932	1.0
161.04636	1.5
163.03998	0.9
165.01918	1.6
177.09209	6.7
195.10265	12.8
217.59163	0.9
219.10283	0.9
221.08284	1.6
239.09235	46.4
240.09569	4.6
263.09192	3.7
281.10178	1.1
297.06427	1.4
311.11325	1.2
315.07050	1.4
341.12421	3.4
371.09671	3.4
383.09842	5.3
383.73370	1.0
401.10846	100.0
402.11151	11.7
421.24182	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.0
59.01095	1.6
59.01380	26.1
60.70450	1.0
61.98821	1.3
68.99816	1.9
69.03434	1.3
69.98064	1.6
69.98468	3.1
71.01382	21.3
72.99306	4.0
73.02941	3.8
75.00873	17.5
81.03448	2.1
83.01395	1.4
85.02950	23.4
87.00880	8.3
89.02435	7.8
91.01928	1.1
93.03460	2.9
95.01374	5.9
96.01680	1.3
98.20595	1.7
99.00879	9.6
101.02458	1.8
103.00408	1.8
106.04249	1.5
107.05050	11.2
108.02203	8.5
109.02992	4.9
111.00893	1.9
113.02450	31.7
114.02747	1.3
114.66467	1.0
115.00391	1.6
117.01926	3.3
121.02940	2.3
123.04484	5.2
129.01961	1.3
133.02989	9.1
135.04532	17.8
146.03743	1.2
151.04028	18.1
152.01114	5.0
153.01929	2.6
157.01331	1.2
158.31456	1.1
161.04565	1.5
163.03996	1.1
165.01849	1.3
175.02478	2.4
179.03488	4.0
179.07095	3.8
186.91037	1.3
191.10851	1.2
197.04572	1.5
203.70427	1.2
205.51401	1.3
231.04892	1.3
241.07074	1.0
249.06131	26.2
267.07202	47.9
268.07675	1.9
342.49704	1.0
359.09811	1.3
383.10001	2.8
401.10840	100.0
402.11163	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	401.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
59.01088	2.5
59.01378	37.7
61.98819	6.1
68.99823	1.6
69.77052	8.2
71.01382	36.1
72.99313	7.1
73.02921	7.7
75.00870	8.7
80.02622	1.5
81.03478	2.4
83.01400	3.8
85.02955	19.0
87.00875	5.7
87.69313	1.4
89.02454	15.4
91.03966	2.0
93.03471	2.6
95.01384	6.4
99.00893	7.6
99.92619	2.1
101.02452	12.1
103.00397	1.9
105.16669	1.5
107.05036	4.8
108.02175	100.0
109.02972	43.8
110.03287	2.0
113.02447	20.0
117.01894	2.1
119.03516	3.8
121.02975	2.2
123.04548	3.2
124.05268	3.7
129.01939	1.7
131.03477	1.7
133.02974	3.9
135.04530	37.6
137.02400	3.7
137.06075	2.9
139.07648	22.4
149.09624	1.5
151.04027	12.7
152.01152	66.4
153.01947	31.7
161.04575	8.0
161.05708	1.4
163.03897	1.8
165.01990	2.8
168.07930	11.3
174.57802	1.5
175.02484	2.7
177.01950	2.4
178.88086	1.4
179.03546	9.9
179.05592	2.6
179.07106	3.0
191.10770	10.4
197.04523	2.6
209.11749	4.3
221.11819	6.5
231.04997	2.2
239.09229	1.5
239.12819	10.4
249.06157	13.6
250.06549	1.8
267.07172	27.3
315.07269	2.9
340.67554	1.5
357.08261	73.1
358.08716	9.0
359.09732	1.8
401.10818	68.5
402.11218	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	399.3269
Annotation	7-Ketocholesterol
Peak:m/z	Relative Intensity
57.03450	4.3
59.01382	10.2
61.98809	1.9
69.37448	7.7
69.37858	4.5
93.11168	1.5
107.18190	1.4
130.93384	1.5
135.04535	1.6
137.02449	26.1
161.02373	1.5
285.20605	2.3
383.29596	4.7
384.29773	1.5
392.49115	1.7
399.21838	8.6
399.32660	100.0
400.33014	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	400.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.4
60.37071	1.0
61.98819	4.6
67.04606	0.9
71.01382	15.7
71.20969	1.9
72.98922	1.6
72.99310	23.5
83.01386	1.1
85.02962	1.6
89.02455	7.5
89.26850	1.0
92.05072	9.0
101.02434	3.5
101.61096	1.1
108.02162	3.3
109.02927	1.9
113.02462	2.6
116.05062	1.3
119.03497	3.5
120.04549	3.7
120.08207	1.4
120.78786	1.0
128.05069	19.5
130.06628	100.0
131.03787	9.4
131.06947	6.0
133.06607	2.3
135.00722	1.0
135.04512	1.8
137.02419	3.0
138.08328	1.0
139.07603	1.2
142.42696	1.0
144.04555	4.2
146.06117	31.9
147.06406	2.8
148.04037	5.1
148.07680	3.8
152.01149	1.3
153.01906	1.6
158.06108	19.7
172.04024	4.5
174.05547	4.2
176.07172	36.5
177.07503	2.4
220.06146	60.8
221.06477	3.4
299.91339	1.3
300.20471	1.1
336.39075	1.3
376.75842	1.1
400.12482	99.7
401.12906	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	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01714	1.3
60.93055	0.7
69.28079	5.7
69.28498	1.8
71.01389	2.7
71.05032	1.0
72.99316	12.2
74.02483	0.9
75.00887	2.1
87.32002	0.7
93.03474	3.1
94.96181	0.9
98.20598	1.4
101.02472	1.3
103.43205	0.7
108.02183	1.4
109.02990	1.4
111.04535	1.1
113.02495	0.8
115.07713	0.7
117.05594	2.7
123.04526	1.4
133.02980	1.5
135.03012	6.1
135.04555	2.5
137.02449	7.3
147.03061	0.8
152.01120	1.2
154.01665	1.3
161.02431	4.6
169.64899	0.8
179.03520	1.7
191.02026	1.3
195.10365	0.7
197.94589	0.7
238.07370	1.1
279.10907	2.4
307.56573	0.8
380.69989	0.7
399.12534	6.1
399.20929	1.3
400.13489	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	399.2177
Annotation	Juniferinin
Peak:m/z	Relative Intensity
59.01376	1.4
61.98841	0.3
69.44797	2.3
73.03344	0.2
81.03442	0.4
93.03462	0.3
108.02192	0.8
109.02932	0.5
114.40789	0.2
115.92071	0.4
126.25805	0.3
135.04503	1.0
136.01653	1.1
137.02444	100.0
138.02773	5.7
161.02425	0.6
179.03488	0.5
229.14555	0.4
233.36345	0.2
285.20505	0.3
324.58206	0.3
350.57687	0.3
382.58716	0.3
399.21667	4.2
400.21747	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	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13463	0.2
59.01391	1.8
61.98843	0.2
65.03964	8.4
65.11431	0.2
66.04272	0.3
66.23461	0.2
67.01887	3.1
71.01383	0.9
71.66132	0.3
73.02966	0.3
85.02960	0.3
89.02452	0.9
91.01890	0.8
91.55492	0.2
100.19624	0.3
101.02480	0.5
101.06094	2.7
101.47023	0.2
109.02953	100.0
110.03288	4.0
113.02448	0.8
119.03532	0.4
123.04496	0.3
123.58763	0.2
127.39274	0.2
133.02975	0.9
135.00894	5.2
135.04524	1.0
149.02293	0.3
151.04037	0.3
153.01936	60.9
154.02289	2.7
161.02467	2.2
162.02820	0.3
170.09576	0.2
179.03473	0.4
213.95209	0.2
267.51315	0.2
304.93845	0.3
334.44205	0.2
399.12946	12.8
400.13361	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	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17336	0.4
59.01086	0.5
59.01380	7.1
61.98817	1.0
65.03977	0.6
65.07790	0.3
69.36950	2.7
71.01389	2.0
72.99313	0.6
73.02946	0.9
73.67070	0.3
75.00874	0.5
83.01416	0.4
85.02951	1.3
93.03460	60.2
94.03799	2.1
95.01354	0.4
97.81158	0.3
99.00903	0.5
101.02399	0.7
109.02951	0.5
113.02441	1.2
117.05569	0.5
123.04517	0.4
133.02962	0.4
135.04546	1.2
137.02451	100.0
138.02786	4.9
145.02956	0.4
157.24414	0.3
161.02472	1.5
161.04607	0.4
169.30495	0.3
207.01396	0.3
245.02699	0.3
319.42151	0.3
399.12296	0.5
399.17108	1.6
400.23840	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	399.1296
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01860	1.7
56.90445	0.8
57.03432	1.6
59.01382	73.8
60.01703	1.3
61.98814	1.4
71.01386	25.0
71.62855	1.4
72.99300	2.4
73.02950	8.1
73.14610	0.8
77.29455	0.9
83.01382	5.7
85.02950	11.0
87.00865	2.4
89.02444	7.6
93.03468	1.5
95.01392	3.6
96.95998	3.4
99.00879	2.8
101.02449	23.5
102.02742	1.1
109.02962	1.3
113.02465	9.5
115.00381	1.1
117.05570	0.9
119.03525	2.1
121.02960	4.7
121.54031	0.9
123.04478	1.0
125.02440	1.2
127.00387	1.1
129.01851	1.1
132.02184	14.0
133.03014	4.5
134.03749	13.7
135.04457	3.2
137.02435	5.3
139.07677	1.3
143.03535	1.1
149.06078	3.1
150.89590	1.0
152.99541	1.0
156.66957	1.0
159.03006	1.7
160.01660	79.1
161.02135	7.7
161.04547	14.4
171.10266	1.9
173.06978	1.0
175.04005	100.0
176.04364	8.4
177.01952	1.2
178.02673	1.3
179.03447	2.7
179.05600	0.9
193.05048	17.4
194.05437	1.6
200.68031	1.1
251.08839	1.9
251.11357	32.2
252.11642	2.5
384.10678	1.2
399.12866	75.4
400.13214	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	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
57.03437	1.2
59.01379	22.3
62.51138	0.6
66.93160	0.6
71.01379	5.1
71.66386	0.8
72.99297	1.5
73.02941	4.5
75.00874	0.9
83.01366	0.7
85.02943	3.6
87.00876	5.7
89.02460	2.5
93.03459	80.2
94.03799	3.6
95.01389	0.8
99.00933	1.1
101.02451	5.3
101.99595	0.6
103.04003	4.3
105.01923	1.0
108.02170	6.8
109.02950	8.9
111.00868	1.5
113.02434	3.3
113.06019	0.8
117.03466	6.8
119.05029	2.6
123.04533	2.7
127.00377	2.4
135.04509	2.5
136.05177	0.7
137.02448	100.0
138.02774	3.9
139.04420	0.7
145.02956	35.9
146.03299	2.7
150.03172	0.7
152.01186	5.5
153.01935	19.5
154.02330	1.0
161.02441	1.1
161.09706	1.0
163.04042	4.6
175.03999	0.7
192.75752	0.7
193.05028	0.8
195.06644	1.2
197.11850	2.1
207.10237	2.2
241.10814	1.5
267.12347	14.1
268.12689	1.3
273.42151	0.7
281.06583	0.7
301.64484	0.6
351.67661	0.6
355.13882	7.7
356.14627	0.7
399.08908	3.6
399.12839	8.9
399.16776	11.6
400.12973	1.7
400.17542	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	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.1
61.98812	0.4
63.76577	0.3
69.42596	2.8
71.01392	0.9
81.03453	1.3
85.02941	0.6
91.01849	0.4
97.29475	0.4
101.06091	2.3
108.02177	12.6
109.02954	100.0
110.03278	4.2
119.05072	0.5
121.02927	0.4
123.00909	1.6
123.04530	0.7
133.03052	0.4
135.04520	1.3
137.02423	0.7
151.03926	0.7
152.01157	14.6
153.01938	66.8
154.02272	3.4
160.28261	0.3
161.02463	0.6
179.03461	0.8
195.02963	0.4
197.81937	0.3
281.00824	1.0
297.06091	1.2
309.00348	0.9
399.12936	68.7
400.13269	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	398.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25932	1.1
70.95319	2.7
76.61877	1.1
99.92592	77.3
100.92592	4.2
108.01951	1.2
109.07908	1.1
115.92101	13.8
116.92860	13.7
118.89980	100.0
119.27410	1.2
119.89980	6.2
134.89488	8.3
135.90262	23.3
141.93629	1.9
150.88994	7.4
211.07080	1.2
246.46989	1.0
253.75372	1.2
273.99884	1.2
279.23431	1.6
316.05167	1.2
362.15491	17.6
363.15970	3.1
398.13208	64.2
399.13455	16.0
403.09848	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	399.1294
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
50.70376	0.2
53.79120	0.2
54.27605	0.2
59.01376	0.9
70.56517	0.3
70.56871	0.5
71.01398	0.5
81.03453	1.0
85.02957	1.0
93.03467	0.6
95.01397	0.9
101.02443	0.3
101.06084	3.2
108.02176	100.0
109.02995	18.7
110.03305	0.9
113.02428	0.3
121.02946	0.8
122.03735	0.5
122.06155	0.2
123.00863	0.9
123.04534	0.7
133.02962	0.6
134.03732	0.3
134.06128	1.2
135.00940	0.3
135.04488	0.3
151.04030	1.3
152.01154	54.9
153.01947	17.4
154.02246	0.7
163.03987	1.2
165.01935	1.0
165.41106	0.3
181.05060	0.3
192.06667	0.6
195.03125	0.2
225.04153	0.4
339.13513	2.1
391.44562	0.2
399.12939	60.5
400.13278	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	398.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76012	1.2
59.01381	31.8
59.62332	0.9
61.98833	100.0
67.59877	0.9
71.01367	3.8
71.62649	1.4
72.99290	1.9
77.86953	1.0
81.30074	0.9
83.01369	1.9
85.02934	3.4
89.02473	1.7
93.03464	2.3
101.02446	3.7
113.02431	1.9
117.03419	1.1
119.05026	1.4
123.04478	1.3
127.45028	1.0
135.04524	8.6
136.04851	2.5
137.02443	5.4
145.02934	2.2
146.03409	1.2
149.05974	1.4
150.06827	1.2
150.08730	1.0
151.03958	1.5
151.07573	1.2
161.02434	3.8
161.04642	1.3
164.04637	1.2
176.08424	1.7
177.09207	9.5
179.03549	8.2
179.07069	4.2
180.04112	6.3
181.24648	1.0
192.08037	1.2
193.08606	1.5
193.98734	1.1
194.09477	16.7
195.06543	3.6
195.10217	9.1
197.04536	1.2
249.13416	2.6
269.04510	2.5
278.07376	1.0
295.80563	1.2
399.07776	1.5
399.16574	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	398.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76012	1.2
59.01381	31.8
59.62332	0.9
61.98833	100.0
67.59877	0.9
71.01367	3.8
71.62649	1.4
72.99290	1.9
77.86953	1.0
81.30074	0.9
83.01369	1.9
85.02934	3.4
89.02473	1.7
93.03464	2.3
101.02446	3.7
113.02431	1.9
117.03419	1.1
119.05026	1.4
123.04478	1.3
127.45028	1.0
135.04524	8.6
136.04851	2.5
137.02443	5.4
145.02934	2.2
146.03409	1.2
149.05974	1.4
150.06827	1.2
150.08730	1.0
151.03958	1.5
151.07573	1.2
161.02434	3.8
161.04642	1.3
164.04637	1.2
176.08424	1.7
177.09207	9.5
179.03549	8.2
179.07069	4.2
180.04112	6.3
181.24648	1.0
192.08037	1.2
193.08606	1.5
193.98734	1.1
194.09477	16.7
195.06543	3.6
195.10217	9.1
197.04536	1.2
249.13416	2.6
269.04510	2.5
278.07376	1.0
295.80563	1.2
399.07776	1.5
399.16574	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	397.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.9
57.03442	3.2
58.00592	6.4
59.01380	90.8
65.13266	2.0
68.99832	1.7
69.03461	6.6
71.01384	100.0
71.63168	2.7
72.01749	2.9
72.99306	8.9
73.02950	21.3
74.50835	1.7
75.00883	2.3
81.03455	4.6
81.90723	1.8
83.01382	13.5
85.02946	21.2
86.00114	2.6
87.00877	23.8
89.02444	79.4
95.01400	10.0
97.02956	20.9
99.00881	5.1
101.02444	80.3
102.02776	3.6
103.04002	2.1
104.03462	1.7
104.81547	1.5
111.04526	5.2
113.02452	31.2
115.04016	2.4
119.03503	31.7
121.02944	4.0
125.02448	22.8
131.03496	3.2
133.05075	6.0
137.02385	2.4
139.04027	3.6
141.01938	3.5
143.03526	12.0
149.04494	2.0
157.71941	1.6
161.04567	13.5
169.05139	2.2
179.05557	5.5
190.02832	1.7
203.05537	2.3
217.07106	5.0
221.06607	2.8
229.04988	3.8
230.05867	3.1
235.08199	25.5
236.08528	2.5
243.06670	5.3
245.06429	2.1
253.09261	2.3
277.09406	2.1
287.07721	2.6
314.78711	2.1
343.95447	1.8
379.12769	2.3
379.14493	2.4
379.19135	18.5
380.19131	3.2
397.13477	79.3
397.19958	13.3
398.13803	11.1
398.20667	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	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93800	0.6
59.01384	5.3
59.43032	0.7
68.99813	0.8
69.03447	1.1
69.87009	0.6
70.19713	1.4
70.20078	2.3
71.01386	8.9
72.99316	1.4
73.02937	2.1
75.89168	0.6
78.79713	0.6
81.03457	2.6
81.43234	0.6
83.01399	1.5
85.02951	8.8
87.00863	0.8
89.02417	0.8
93.03458	4.8
95.01377	5.1
95.03219	0.6
95.66168	0.6
99.00885	1.7
99.04520	5.6
101.02439	3.5
105.01945	0.7
108.02180	100.0
109.02967	61.6
109.03764	0.7
109.86292	0.6
110.03297	1.9
113.02455	2.9
121.02934	1.3
123.00892	4.0
123.04514	0.9
125.02432	3.9
135.00905	0.7
135.04536	4.7
137.02435	7.0
145.02960	1.6
147.04517	3.4
151.04066	1.4
152.01158	95.8
153.01950	26.1
154.02267	1.9
161.02423	2.5
161.04561	1.8
163.03996	1.8
165.01964	1.6
168.06512	0.7
175.03932	0.8
179.03532	1.2
184.27043	0.6
191.07077	0.9
224.47186	0.8
225.03978	0.9
234.03288	2.0
235.03920	1.2
243.39828	0.7
251.03435	0.9
262.02737	1.1
263.03464	2.0
263.79880	0.7
264.04132	1.3
265.04916	0.6
266.05740	0.9
276.58038	0.7
279.02951	0.9
294.05487	3.6
294.08466	0.7
295.06082	1.6
306.01642	3.6
307.01971	0.7
315.07275	5.6
322.04868	2.1
323.05386	1.0
334.01187	5.3
335.01898	2.1
338.04272	0.7
361.66461	0.7
366.03665	6.3
397.11377	98.1
398.11771	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	396.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
66.63055	1.4
69.48418	12.1
71.01399	3.4
85.02953	2.1
88.63419	1.7
89.02479	1.8
89.62348	1.5
95.25478	1.7
98.19852	3.2
100.03776	1.6
101.02454	2.8
106.95493	1.6
107.03628	1.9
130.82280	1.5
135.04494	1.5
137.31870	2.0
147.04510	14.9
158.06065	3.4
161.04387	2.0
167.82799	1.6
170.05652	2.0
247.43112	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	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94893	0.5
57.03448	1.2
59.01373	2.0
65.29577	0.6
68.99808	0.8
69.03473	1.5
71.01382	3.5
72.04409	0.5
75.00848	0.8
75.25502	0.5
81.03467	2.7
82.39254	0.6
83.01385	0.6
85.02956	4.1
88.26460	0.6
93.03460	2.9
95.01392	3.5
97.02969	1.1
98.20618	1.9
99.00885	1.2
101.02454	1.0
101.05418	1.3
101.06084	22.5
108.02177	51.5
109.02962	48.1
110.03313	2.7
111.00900	3.4
113.02457	10.3
118.94152	0.6
123.00877	1.8
135.00871	1.0
135.04533	1.2
137.02477	2.3
139.04036	2.1
141.01971	3.2
151.04027	0.5
152.01157	41.7
153.01939	100.0
154.02260	4.4
156.70395	0.6
163.04039	1.7
170.23871	0.5
178.06371	1.5
181.01459	0.8
193.08696	1.6
223.02554	1.2
229.75423	0.8
303.52209	0.7
375.06665	0.7
397.11383	33.3
398.11749	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	396.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16418	0.8
52.16670	0.7
57.61146	0.9
59.01373	2.7
71.64717	1.3
75.55492	1.0
81.18478	0.8
91.30724	0.8
96.96008	6.5
99.92580	57.8
100.92596	4.4
115.92083	12.1
116.92858	9.9
118.89974	100.0
119.89990	6.1
126.37425	1.0
134.89490	6.3
135.90237	16.2
136.90244	1.2
138.41943	0.9
139.91127	0.9
141.93547	1.4
150.88963	6.8
167.49237	0.9
360.13919	14.8
361.14023	2.7
364.25461	0.9
396.11606	43.8
397.11954	8.7
397.22595	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	395.1558
Annotation	Mirabegron
Peak:m/z	Relative Intensity
55.01868	0.6
57.67557	0.5
58.00595	1.0
59.01381	18.3
60.89905	0.5
63.28426	0.5
69.03448	1.6
70.04973	0.5
71.01388	9.8
71.15347	0.5
71.64775	0.9
72.99319	3.5
73.02943	1.2
75.00874	78.0
76.01183	0.9
83.01412	1.1
85.02978	2.7
87.04514	2.2
89.02448	2.3
95.62726	0.6
96.16402	0.5
96.29209	0.5
97.02969	0.6
99.00873	1.3
101.02437	5.2
101.06084	45.0
102.06415	1.2
110.65605	0.5
113.02457	3.1
113.06094	1.3
115.07653	60.3
116.07993	2.3
123.27808	0.5
125.02419	0.7
131.03500	2.5
143.07146	7.7
144.07565	0.6
145.02939	1.5
149.04597	0.8
159.06671	0.7
161.02490	0.7
161.04506	0.7
173.08203	0.9
197.08081	0.6
203.09244	2.3
276.18362	0.6
395.15570	100.0
396.16006	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	395.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34216	0.5
51.39210	0.7
52.46739	0.6
58.06495	0.6
59.01384	33.1
61.98846	0.7
63.12372	0.6
71.01388	1.0
71.21350	1.1
71.21677	0.8
72.99313	7.5
73.02929	0.8
76.08777	0.6
91.05537	0.5
107.05056	1.8
109.02947	7.0
119.05029	0.7
120.02150	0.7
121.23949	0.6
123.04536	2.0
126.58916	0.6
133.02972	7.4
134.03770	4.8
135.04532	100.0
136.04836	5.0
139.99232	0.6
151.04027	0.8
151.84256	0.6
153.05620	1.8
161.02449	35.6
162.02797	2.6
162.73387	0.7
163.04025	1.0
179.03508	24.7
180.03911	1.5
197.04581	8.4
223.02402	0.6
237.04175	1.0
276.82266	0.7
300.02759	0.9
315.01959	0.7
315.05136	3.7
359.07742	23.1
360.08145	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	394.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03450	1.2
58.00586	1.1
59.01381	29.9
60.01704	0.9
61.98825	1.9
70.63603	0.6
70.64123	1.2
70.64485	0.9
71.01384	39.4
72.01736	0.8
72.99307	1.9
73.02937	2.6
75.00867	1.3
81.03456	0.7
83.01404	1.7
83.05016	1.2
85.02962	5.3
85.06592	13.7
85.98978	0.5
87.00883	1.4
88.04047	6.3
89.02446	13.3
95.01393	1.2
96.18506	0.6
97.06558	0.5
99.00900	1.0
99.92608	1.1
100.92642	0.9
101.02444	12.5
109.02943	2.1
113.02465	6.3
113.06087	2.7
115.92062	1.2
116.03537	1.1
116.92867	1.2
119.03518	4.9
127.07742	0.6
128.17256	0.6
129.05556	0.6
130.08728	1.6
131.03566	0.5
131.07150	1.2
132.41823	0.5
134.69049	0.6
135.04506	0.6
142.08723	2.9
143.03452	0.6
143.07184	0.6
145.08699	4.6
160.09793	45.4
161.02428	0.8
161.04578	2.2
161.10107	2.5
203.03458	1.4
214.10843	1.3
232.11900	0.9
249.06184	0.9
265.90817	0.6
267.07101	0.8
277.13147	0.9
293.12128	1.2
307.04004	0.8
322.15033	6.8
335.17191	1.0
376.16019	2.4
394.17181	100.0
395.01697	1.6
395.17606	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03449	2.4
58.00602	1.2
58.85519	0.6
59.01381	100.0
60.01717	1.5
60.62666	0.8
64.92432	0.7
70.93855	2.0
71.01387	27.2
72.99315	1.4
73.02950	10.3
83.01370	3.7
85.02959	10.6
87.00846	1.5
89.02451	16.0
95.01413	2.8
97.02959	1.1
99.00883	1.9
101.02443	20.0
101.03069	1.2
102.02767	1.0
105.64155	0.8
113.02471	14.6
119.03502	5.0
131.03496	1.0
133.15544	0.7
135.03055	1.2
137.53789	0.7
143.03542	2.2
143.10835	1.2
149.04616	1.2
150.03256	1.0
159.03032	1.2
161.04570	6.7
179.05713	1.0
189.14960	14.5
190.15250	0.8
333.19135	9.1
351.20242	29.4
352.20547	4.5
393.21399	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25543	0.6
59.01381	100.0
60.01712	1.1
66.28658	0.6
66.32731	0.6
69.36497	3.6
69.36919	1.9
71.01388	0.7
98.20622	1.3
103.12661	0.5
112.13869	0.5
119.05103	0.6
126.03382	0.6
135.04517	0.7
161.02470	1.5
315.24832	0.6
393.14197	0.8
393.19342	0.8
393.27875	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	393.2071
Annotation	3,5-Dihydroxy-4-geranylbibenzyl-2-carboxylic acid
Peak:m/z	Relative Intensity
54.56787	0.9
59.01363	2.7
71.63274	1.0
78.70979	0.9
93.03472	1.4
94.55872	1.0
100.70567	1.0
106.04231	1.1
107.05029	8.8
119.05013	2.5
122.34622	0.9
122.66235	0.9
135.04523	17.6
147.04565	1.1
149.02396	1.5
157.06569	1.6
159.08116	1.9
171.08101	1.1
177.12857	3.9
189.09236	3.3
213.09071	1.4
215.06981	1.5
225.09196	13.1
226.09932	8.4
227.10667	3.4
227.14293	1.4
237.09245	2.3
239.10680	1.7
249.79022	1.0
251.07173	2.0
261.12912	4.6
263.07211	1.3
265.12415	1.1
277.12314	2.0
279.14011	1.4
305.11975	1.5
305.19086	10.0
306.19470	1.5
311.16791	1.3
331.20612	2.6
349.21729	20.7
350.22171	4.4
375.19647	40.0
376.20010	8.2
393.20712	100.0
394.21011	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
57.03449	1.6
58.00601	3.0
59.01381	100.0
60.01727	1.5
61.47552	0.6
63.33630	0.7
69.03451	1.3
70.35696	1.4
71.01384	69.5
72.01720	1.5
72.99314	3.2
73.02944	11.0
75.00887	1.5
75.19530	0.7
83.01393	2.8
83.15909	0.8
85.02959	12.5
87.00871	3.5
89.02448	97.2
90.02783	1.0
95.01392	2.9
97.02942	0.8
99.00879	4.5
100.01244	0.8
101.02447	35.2
102.02769	1.3
107.69107	0.6
113.02454	22.8
119.03506	21.1
122.04793	0.7
125.02415	3.4
131.03514	17.1
143.03479	5.5
149.04558	27.4
150.04814	1.7
161.04544	6.4
163.49127	0.8
171.13261	0.8
179.05611	11.3
191.05623	5.5
213.09329	0.7
243.72192	0.9
261.13315	3.2
351.20016	1.9
373.05521	0.8
393.17618	5.9
394.17880	1.3
397.23135	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37865	0.8
55.01882	1.4
57.03452	1.3
58.00592	3.0
59.01382	100.0
60.01720	1.8
61.98863	0.7
71.01385	61.6
72.01707	1.3
72.99300	3.3
73.02956	7.5
75.00867	1.4
83.01395	2.7
85.02956	11.1
85.03444	1.0
87.00895	3.9
89.02448	80.9
90.02814	1.3
95.01416	2.9
97.02964	1.3
98.19846	2.1
99.00890	3.2
101.02448	30.7
102.02798	1.2
109.03001	0.8
113.02452	18.9
119.03509	19.7
125.02484	2.4
126.19347	0.6
131.03494	12.5
131.04404	0.9
135.02991	1.2
135.04541	1.6
143.03499	4.9
149.04555	23.0
150.05016	1.0
161.04555	5.5
169.12383	1.0
171.10336	1.0
179.05623	10.3
189.15001	1.9
191.05583	5.6
198.68271	0.7
231.12396	1.1
242.82607	0.7
261.13522	2.5
267.65869	0.8
275.09305	1.1
333.19357	2.9
351.20087	5.7
393.11548	0.7
393.17468	3.8
411.29382	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	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	8.6
61.98835	100.0
69.94178	2.8
98.20667	3.7
131.43689	2.3
133.44403	2.3
135.04437	4.2
223.80226	2.2
333.54010	2.2
408.73672	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	393.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19589	0.6
59.01382	10.6
61.98840	0.7
69.31511	4.1
69.31920	1.1
71.01387	3.2
73.02954	1.9
85.02974	0.7
89.02462	1.5
95.01330	0.8
96.20006	0.6
101.02460	1.7
105.03464	0.7
108.02149	0.7
109.02954	70.1
110.03296	2.3
113.02492	0.8
116.76260	0.7
119.03484	1.3
119.05038	2.0
121.02962	1.7
123.04533	2.5
129.03473	2.0
131.05064	1.5
135.04533	3.5
145.02957	1.0
146.03706	2.4
147.04523	25.8
148.04874	1.8
158.03755	2.3
159.04517	100.0
160.04829	7.0
161.02493	1.0
161.04515	1.1
161.06013	0.8
173.56754	0.6
175.04059	1.4
179.03429	0.8
237.05467	0.6
241.05034	0.7
251.07141	1.1
252.07974	1.7
252.75969	0.6
267.06766	0.9
268.07352	0.9
269.08179	40.3
270.08533	6.0
299.90970	0.6
351.20239	1.8
352.20715	0.6
357.06131	9.7
358.06430	1.4
393.03833	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
59.01382	100.0
60.01714	2.2
61.98834	13.9
67.39367	1.1
71.01386	34.5
72.99302	4.3
73.02950	15.9
74.33787	1.1
75.00899	2.0
80.20589	1.0
83.01380	5.6
85.02949	21.0
87.00880	15.6
89.02441	13.8
93.03459	9.0
95.01398	3.8
98.20608	2.8
99.00886	3.2
99.08153	5.2
101.02450	29.4
102.02780	1.4
109.02940	2.5
111.00877	2.9
111.04548	1.4
113.02468	11.9
113.06083	1.6
115.07681	1.5
117.03454	1.3
119.03512	4.1
123.04520	8.7
125.02381	1.2
127.07644	4.7
129.09192	5.2
133.02950	3.1
135.04523	7.0
137.02443	24.1
137.06052	3.6
139.04120	1.5
141.01949	2.2
143.03502	2.7
143.10699	1.4
145.02946	2.7
149.02452	1.3
155.06906	1.4
159.03004	1.8
161.02470	8.4
161.04541	11.6
167.03494	41.2
169.12279	3.9
179.03542	2.2
179.05406	1.1
187.13368	3.8
189.21632	1.2
229.01538	1.5
259.15540	1.6
329.06680	9.8
331.17593	6.8
349.18677	35.4
350.18964	4.7
389.39853	1.1
391.20023	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03452	1.0
58.00605	1.1
59.01381	100.0
60.01708	1.3
61.98833	10.9
69.03442	0.9
69.52086	4.0
71.01385	28.7
72.99319	2.9
73.02952	21.9
75.00869	1.0
83.01389	7.8
85.02951	7.3
87.00894	1.8
89.02448	14.5
90.98618	0.6
95.01405	1.9
97.02981	0.7
99.00879	1.6
101.02443	27.7
102.02789	0.9
109.02963	1.7
113.02454	11.3
117.03481	0.8
119.03497	7.6
123.04545	2.2
125.02467	1.5
126.99556	4.1
127.04063	1.1
131.03539	2.6
133.02956	1.4
134.03751	0.8
135.04533	4.4
143.03505	2.8
145.02946	1.3
149.04521	3.8
155.03612	0.8
161.02502	3.3
161.04553	10.0
179.03542	2.8
179.05588	1.8
179.32727	0.7
184.14214	0.8
187.13403	4.0
197.04529	1.0
203.05655	1.0
221.06679	1.1
227.93201	2.1
228.94029	0.8
229.14490	1.1
247.77664	0.8
269.04526	3.9
270.04639	0.7
323.08017	0.8
331.17566	9.1
332.17941	1.7
346.28513	0.8
348.38153	1.0
349.18689	9.4
390.99115	1.6
391.19846	8.0
391.27106	2.7
392.20474	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
59.01381	100.0
60.01705	1.6
70.91438	0.3
71.01382	9.7
73.02961	2.8
76.60129	0.3
83.01391	1.0
83.04387	0.3
85.02954	3.8
87.00880	0.4
89.02438	5.7
95.01396	0.8
97.02953	0.4
98.20592	0.6
99.00906	1.0
101.02450	6.1
107.40313	0.3
107.51980	0.3
113.02438	4.7
113.03103	0.4
119.03488	2.9
135.04553	0.8
143.03508	0.6
145.03067	0.5
159.03044	0.7
161.02496	0.5
161.04546	8.2
162.04893	0.5
179.03476	0.5
179.05644	0.8
184.36571	0.3
203.21184	0.3
219.03035	1.0
244.02977	0.4
267.06021	0.5
331.17606	5.6
349.18845	1.5
369.08911	0.4
391.19806	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86808	0.4
55.01873	0.7
57.03447	2.3
58.00597	1.7
59.01381	100.0
60.01723	1.0
65.89479	0.5
69.03450	0.7
69.61577	3.2
71.01386	23.4
72.51751	0.5
72.99303	6.5
73.02951	12.2
74.90084	0.4
75.00873	3.2
81.03477	1.1
83.01396	3.7
85.02954	14.9
87.00890	2.5
87.04533	1.3
89.02451	11.1
89.02978	0.7
90.02832	0.6
95.01386	3.9
95.85568	0.5
97.02953	0.6
97.42657	0.5
99.00893	4.4
101.02443	12.7
101.03062	0.8
101.06083	0.5
103.00388	1.0
106.72783	0.5
113.02451	26.8
114.02795	1.0
114.59722	0.4
115.00394	0.9
117.01944	1.3
119.03512	3.8
123.04516	3.1
125.02470	0.9
129.02032	0.7
131.03539	0.7
134.03799	0.7
135.04527	15.3
139.00423	0.5
143.03531	1.7
149.04613	0.6
161.04561	5.9
161.05695	0.6
167.03532	1.0
175.02519	3.1
175.03943	1.0
179.03500	4.3
185.11807	0.6
187.13409	9.2
187.14975	0.6
188.13904	0.6
197.04536	6.1
217.70464	0.5
260.09384	0.8
263.17731	0.4
327.54297	0.6
331.17545	7.4
332.17889	0.7
349.18658	14.4
350.18893	2.3
355.10184	0.7
391.08267	2.0
391.19797	2.1
392.09775	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	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
56.98502	1.1
57.03452	16.7
58.00603	1.8
59.01379	71.3
61.98812	3.2
69.03450	2.7
69.59994	7.5
71.01383	41.3
72.99316	6.2
73.02950	5.2
74.02477	1.5
74.39777	1.0
77.51482	1.0
81.03449	1.3
83.01391	3.1
85.02942	10.8
87.00891	4.0
89.02446	35.4
90.02812	1.5
95.01408	3.2
95.05038	4.2
97.02955	3.2
97.06589	19.3
98.19838	2.1
99.00912	2.3
101.02445	27.7
107.05048	1.7
109.02946	1.3
109.06597	3.8
111.04509	2.4
111.08098	1.7
113.02452	15.0
113.06068	3.0
119.03507	15.0
121.06594	2.7
123.04560	3.4
123.08169	54.8
124.08492	4.2
124.31605	1.2
125.02448	3.0
126.90428	1.3
134.03773	2.8
135.04546	11.1
137.02481	1.6
143.03438	1.7
147.08321	1.6
149.04581	1.6
149.09726	7.4
159.02950	1.1
161.04576	5.7
163.02039	1.7
167.10793	12.4
179.03510	3.5
179.05634	4.5
188.25235	1.1
190.86592	1.2
193.05151	2.6
193.08693	7.6
197.04561	2.6
211.09750	100.0
212.10100	6.1
212.63531	1.2
229.10759	2.3
230.10297	2.2
332.13510	1.6
373.15115	2.3
391.16113	17.8
392.15991	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	391.067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.6
58.08791	0.6
58.77817	0.5
59.01383	30.8
60.01719	0.8
61.98829	5.0
63.09607	0.5
69.64816	3.4
71.01381	6.4
72.99310	31.4
73.02947	4.1
73.99654	0.7
76.54559	0.5
81.03461	4.6
81.33912	0.6
83.01384	1.5
85.02961	3.0
87.00893	1.0
89.02472	3.6
93.03480	0.8
95.01383	0.9
97.06601	1.4
98.20605	0.9
99.00880	0.8
101.02454	4.0
103.25880	0.6
107.05028	1.6
109.02962	1.5
111.04491	0.7
113.02460	3.2
117.03419	0.6
119.03522	1.2
121.02905	0.9
123.04525	22.9
124.04844	1.0
134.03766	5.4
135.04527	100.0
136.04868	4.3
149.02461	1.8
151.04010	1.0
161.02420	1.8
161.04549	1.3
167.03516	6.4
179.03493	26.4
180.03848	1.4
193.05046	0.8
193.08667	1.1
197.04543	52.6
198.04895	3.0
229.03566	1.8
253.48869	0.6
260.09308	1.0
269.04617	2.2
331.17419	1.4
347.07806	0.8
391.19391	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
69.92118	18.6
98.20584	6.0
108.96339	4.3
123.91267	4.1
175.03784	4.1
380.71570	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	390.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34410	0.5
59.01371	1.6
61.98832	100.0
70.05902	2.5
72.99309	4.8
133.02989	2.3
134.03345	1.7
135.04549	1.3
137.02472	1.1
142.06650	0.5
150.03172	1.0
151.03938	0.8
152.04437	0.7
161.02451	8.9
162.02798	7.1
175.04092	0.9
175.07700	0.5
179.03545	1.3
188.07985	0.8
195.02994	1.3
196.03275	1.1
205.62877	0.6
228.06122	0.7
230.09320	0.9
284.50168	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89886	1.8
59.01376	33.9
61.98832	100.0
62.47158	1.9
65.69695	1.8
73.30637	1.8
83.36422	1.8
85.52485	1.8
98.20773	2.9
130.09726	2.2
143.57393	1.9
145.02930	2.0
161.02457	2.1
164.18315	1.7
210.45107	1.8
229.21353	2.3
287.17368	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	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23509	12.9
57.13466	11.3
59.01378	13.0
62.85433	12.8
69.50845	100.0
99.77800	12.4
112.36450	12.6
135.78506	14.5
150.47687	12.8
162.01483	12.6
342.10196	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	55.4
69.85612	39.1
69.86025	100.0
77.09154	27.5
89.19047	24.9
98.19952	58.9
103.09004	29.1
152.99612	46.4
161.58742	29.1
241.21330	27.1
280.48859	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	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
51.09473	0.7
53.10209	0.8
57.03449	1.1
58.06454	0.7
59.01377	20.1
64.10264	0.7
68.38110	0.7
69.03447	1.2
69.50853	5.5
71.01392	5.6
72.99311	2.4
73.02948	1.9
75.31297	0.8
80.96514	0.8
81.60962	0.7
85.02957	2.6
89.02457	3.3
92.26981	0.7
101.02444	4.3
111.08145	2.5
113.02441	3.3
119.03483	1.2
120.04493	0.8
122.06115	1.4
133.02974	1.6
135.04494	2.2
137.02489	0.9
139.71982	0.7
145.02921	2.6
152.07161	2.1
161.02428	5.2
161.04607	1.1
163.04004	0.9
165.12840	23.1
166.13185	2.5
179.03497	1.1
183.13901	70.2
184.14252	5.9
195.02959	1.3
197.15463	2.6
207.13901	2.0
209.11819	2.8
221.82875	0.7
225.15010	1.2
227.12894	100.0
228.13177	8.3
251.12895	5.8
252.13214	0.9
269.13962	3.1
283.13489	0.9
293.13980	0.9
329.16196	3.0
389.17377	2.5
389.25290	2.6
408.96631	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01865	5.0
57.03454	18.1
58.00577	5.0
59.01382	100.0
60.01695	1.8
71.01383	70.3
71.43407	2.0
72.99285	5.4
73.02952	34.4
75.00858	1.9
83.01365	5.8
85.02953	22.3
87.00865	2.7
88.87569	1.4
89.02446	49.8
93.03438	2.5
95.01361	4.0
99.00881	3.7
101.02445	47.3
102.02753	1.9
103.02666	1.5
109.02927	2.7
111.00874	1.9
113.02456	24.5
119.03515	19.3
135.04506	5.0
137.02441	9.5
138.02773	1.9
139.00298	1.6
143.03444	3.0
147.11800	46.8
148.12057	3.6
149.04546	2.6
159.02962	3.7
161.02449	2.4
161.04567	16.9
167.10703	2.8
177.01836	1.6
179.05556	4.0
209.11839	34.6
210.12172	1.7
211.13179	1.5
327.08707	1.8
347.17340	1.6
376.84766	1.6
389.17972	70.2
389.21994	8.3
390.18250	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	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37593	0.5
55.01882	1.1
56.60685	0.5
57.03452	0.5
58.00592	2.0
59.01382	100.0
60.01718	1.2
69.03455	2.2
69.32459	4.9
69.32861	1.4
71.01384	45.2
72.01746	0.9
72.99312	2.7
73.02949	77.5
74.03288	1.8
75.00880	0.9
79.31024	0.5
83.01390	18.6
84.01753	0.7
85.02959	4.7
87.00888	2.1
87.75983	0.5
89.02444	14.3
95.01405	1.5
97.02955	1.3
99.00889	1.4
99.08186	0.7
101.02448	58.0
102.02789	1.6
113.02456	10.1
115.03995	1.0
119.03500	4.2
119.67157	0.6
125.02464	1.6
125.77059	0.5
131.03513	4.3
143.03506	4.0
149.04515	2.9
155.03474	1.4
161.02509	0.9
161.04567	9.7
167.10776	50.0
168.11070	3.8
170.30722	0.6
185.11816	1.8
221.06667	1.1
240.31213	0.6
329.15942	2.8
347.17081	10.0
348.17538	0.9
357.98944	0.7
389.18143	37.7
390.18369	4.6
402.26236	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	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01876	0.7
57.03443	1.2
57.10979	0.7
58.00586	0.9
59.01384	29.5
59.46778	0.6
63.27478	0.6
63.50664	0.7
71.01383	12.4
71.40634	0.8
71.40971	1.1
72.99310	1.5
73.02964	1.6
79.05547	2.0
83.01382	0.8
85.02956	3.9
87.00888	0.8
89.02447	12.1
95.01379	1.2
97.06592	1.0
101.02446	9.0
104.61012	0.7
109.02965	1.8
109.06580	0.6
113.02464	5.3
119.03526	5.1
135.04532	0.8
137.02412	0.8
139.82111	0.6
147.11801	21.4
148.12163	1.7
161.09602	0.7
165.12848	8.5
166.13187	0.6
179.03481	0.9
191.10793	2.6
209.11823	20.3
210.12286	1.3
227.12889	10.6
255.01250	0.6
331.38971	0.7
389.18170	100.0
390.18524	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	389.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
56.19270	0.3
56.92483	0.3
59.01381	18.0
60.01711	0.4
61.98825	0.4
63.05326	0.3
70.10154	0.8
70.10580	1.0
70.19501	0.3
71.01384	8.9
72.01711	0.4
72.99297	1.4
73.02946	1.9
80.05005	0.3
83.01375	1.1
83.44048	0.4
85.02956	3.2
87.00854	0.4
87.43603	0.3
89.02455	7.3
93.03520	0.4
95.01379	0.6
99.00887	0.9
101.02437	6.1
103.34196	0.4
105.03450	0.8
108.02188	0.5
108.04577	0.5
109.02949	2.8
109.06591	0.4
113.02450	3.6
118.98093	0.4
119.03515	2.9
121.02927	0.4
122.03770	0.5
122.06104	0.8
123.04537	6.4
124.04898	0.4
127.00362	0.3
127.07609	0.5
131.03587	0.3
132.02179	1.1
133.02962	25.7
134.03319	1.0
134.06139	0.9
135.04521	1.9
136.07681	0.7
137.49165	0.4
144.04637	0.7
147.11800	0.6
149.02469	1.0
149.06024	0.3
150.03215	1.5
151.04016	10.2
152.07175	0.7
153.09172	0.4
155.10710	0.4
159.03027	0.8
159.04515	1.1
161.02448	100.0
162.02783	5.9
162.05605	1.4
179.03546	0.8
179.05571	0.6
180.06674	0.8
203.05898	0.3
206.04543	0.5
209.01997	0.4
209.11845	0.4
220.06134	0.6
236.09586	0.5
239.11861	0.4
251.11862	0.7
253.09892	0.3
265.06216	0.5
267.11475	0.5
269.08087	1.8
269.12808	0.4
271.86823	0.3
280.08395	1.6
281.09052	0.4
295.10901	4.0
296.11035	0.5
313.07217	6.0
313.11960	5.3
314.07465	0.7
314.12427	0.6
327.13708	0.8
328.13998	0.4
339.09598	0.8
357.10922	2.9
358.11356	1.0
389.08783	0.6
389.13644	2.5
389.18076	4.3
389.22745	2.2
390.18124	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	389.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
61.98833	7.6
65.03970	0.4
70.29460	0.7
70.29853	0.6
71.01382	0.9
72.99310	6.4
80.96516	0.4
81.03464	0.4
81.27692	0.3
87.00858	0.4
89.02445	0.7
91.47299	0.3
95.05029	1.2
96.32699	0.3
100.98767	0.3
102.41418	0.3
105.03489	0.8
107.04986	0.4
108.02205	0.8
109.02959	1.2
112.85983	0.3
121.02949	0.7
123.00912	0.4
123.04526	7.1
124.01656	1.0
132.02174	1.2
133.02959	28.7
134.03333	1.1
135.04527	8.6
136.04852	0.6
137.02449	10.6
138.03275	2.7
139.03993	0.9
145.02913	0.4
149.02434	0.6
150.03220	4.1
151.04010	15.7
152.04349	0.9
153.05568	0.4
159.04506	0.4
161.02443	100.0
162.02780	7.1
165.05533	0.9
167.03448	0.4
173.06073	0.4
174.03244	0.3
179.03503	5.9
180.03932	0.3
194.02129	0.5
195.02975	15.1
196.03333	1.0
197.04581	0.4
201.05569	0.5
209.04436	0.8
212.03250	3.8
218.09430	0.3
227.05617	7.9
247.09842	0.3
270.04861	1.0
283.13385	2.2
301.14380	1.0
307.06549	0.4
326.07404	3.5
327.16168	0.6
345.17291	0.4
389.09018	1.5
389.15842	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	389.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35139	0.3
59.01375	1.3
59.01687	0.2
59.85965	0.3
61.98829	1.4
69.38863	2.8
71.01405	0.5
72.99313	9.4
81.03478	0.6
86.06489	0.3
95.05042	1.0
105.03451	0.4
107.05038	0.5
108.02191	0.5
109.02975	1.8
110.03299	0.4
121.02917	0.5
121.71323	0.3
123.04539	6.8
123.08170	0.4
124.01656	1.0
132.02182	1.3
133.02963	28.5
134.03354	1.2
135.04529	7.6
137.02452	9.9
138.03265	2.3
139.03972	0.6
149.02449	0.8
150.03227	4.4
151.04015	13.7
151.05232	0.7
152.04320	1.0
153.05542	0.4
159.04544	0.5
161.02448	100.0
162.02783	7.7
165.05591	0.7
172.05260	0.4
173.06053	0.8
174.06824	0.4
175.07626	1.3
178.02615	0.5
179.03494	6.6
180.03781	0.4
186.06909	0.3
187.07632	0.9
195.02986	15.1
196.03329	1.1
201.05589	0.7
201.09244	0.6
203.07162	1.3
209.04512	0.8
212.03313	4.3
215.07201	0.5
218.09509	1.2
225.17841	0.3
227.05592	9.1
228.06010	0.8
229.08679	0.6
247.09894	0.7
253.03679	0.4
279.76550	0.3
311.46802	0.3
375.96997	0.4
389.08707	1.9
389.16006	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	389.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	2.4
58.00602	3.3
59.01091	3.0
59.01380	51.6
59.03367	1.7
59.74658	1.7
69.38892	8.6
69.39323	7.6
70.73770	1.9
71.01385	21.6
71.48466	1.8
72.99311	3.0
73.02956	2.6
77.19898	2.1
82.65776	1.7
83.01403	2.1
85.02963	5.4
87.00887	2.3
89.02444	11.5
95.01397	2.0
98.20692	2.5
101.02450	14.5
105.03429	2.5
109.02955	74.2
110.03314	2.6
113.02457	7.8
118.28931	1.7
119.03499	8.0
121.02947	2.0
123.04543	9.4
131.05000	2.5
133.02940	18.9
134.03632	2.0
135.04535	41.6
137.02440	5.6
145.02943	9.9
146.03629	2.4
147.04500	6.4
147.11797	16.1
151.03992	6.4
159.04501	19.0
160.05043	2.1
161.02458	29.3
163.04079	3.2
165.12881	8.6
175.04045	4.3
177.01924	3.6
179.03510	50.5
180.03859	2.5
191.03499	2.3
195.02936	2.3
203.03534	8.3
206.55139	2.2
209.11803	17.2
227.12961	9.3
237.05559	2.9
254.05786	3.4
255.06627	28.0
256.07010	3.8
269.08203	30.2
270.08496	4.3
287.08145	1.9
294.62894	1.8
295.06079	5.5
313.07101	23.7
314.07642	2.8
357.06168	7.2
389.18201	100.0
390.18527	9.1
406.83243	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	389.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82917	0.3
57.22207	0.2
59.01379	1.2
60.00789	0.3
61.98838	0.5
65.03958	0.4
70.03882	1.0
72.73300	0.2
72.99308	12.5
74.53450	0.3
76.34212	0.2
81.03477	0.5
87.00877	0.8
93.03449	0.5
95.05015	0.9
96.20609	0.3
98.20020	0.5
105.03465	0.6
107.05016	0.5
108.02146	0.5
108.67392	0.2
109.02946	1.0
115.01935	0.3
121.02956	0.4
122.03756	0.3
123.04525	7.1
124.01669	0.9
132.02171	1.3
133.02959	25.8
134.03323	1.1
135.04526	7.9
136.04895	0.3
137.02443	9.5
137.03499	0.6
138.03268	2.3
139.04025	0.6
146.03749	0.6
146.78780	0.3
147.04518	0.4
149.02467	0.4
150.03212	3.7
151.04013	14.2
152.04315	0.6
159.04546	0.7
161.02443	100.0
162.02780	6.4
165.05574	0.7
167.03360	0.5
172.05280	0.4
173.06081	0.7
174.06853	0.9
175.07674	2.0
179.03491	6.2
180.03848	0.4
187.07608	1.6
189.05571	0.4
190.06267	0.3
194.02194	0.6
195.02980	16.5
196.03360	0.7
201.05576	1.1
201.09259	0.6
203.07115	2.6
209.04576	0.9
212.03249	4.3
214.06520	0.3
215.07137	1.0
218.09526	1.7
227.05609	7.7
228.05901	0.5
229.08739	1.0
230.09422	0.7
247.09769	1.6
253.03412	0.3
263.09283	0.3
389.08920	2.1
389.16116	1.7
390.16388	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	389.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85717	0.3
55.32388	0.3
59.01382	2.9
67.60629	0.3
69.67699	1.9
71.01383	1.6
72.99308	3.7
73.02948	0.5
79.55907	0.3
81.03472	0.6
85.02962	0.5
87.00880	0.3
89.02464	0.4
93.03471	0.5
95.05049	0.8
98.19917	0.6
101.02451	0.7
105.03496	0.7
107.05013	0.4
108.02175	0.4
109.02982	1.5
113.02471	0.4
121.03004	0.6
122.03734	0.3
123.04532	7.7
124.01664	0.6
132.02171	1.3
133.02959	26.9
134.03374	1.0
135.04524	9.1
136.04878	0.3
137.02444	10.5
138.03275	2.4
139.03976	0.8
149.02470	0.8
150.03235	3.9
151.04021	15.4
152.04346	0.8
153.05553	0.6
161.02452	100.0
162.02783	6.5
165.05605	1.1
179.03516	5.4
180.03853	0.5
194.02197	0.6
195.02992	15.3
196.03371	1.2
204.16003	0.3
209.04558	0.8
212.03267	4.1
227.05614	8.7
228.05946	0.6
253.03377	0.4
257.17636	0.4
313.10919	0.9
347.17242	0.8
357.10034	0.4
389.08911	1.7
389.18155	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	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98845	8.2
62.65602	8.6
69.46409	47.3
69.46816	12.8
82.88272	8.2
98.19859	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	388.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79790	0.5
56.81664	0.5
59.01391	2.7
61.98830	100.0
70.04848	2.0
70.05226	0.9
71.01369	0.5
72.99326	2.0
76.68386	0.6
109.02943	0.8
120.72353	0.5
123.04539	2.0
133.02966	6.4
135.04526	3.5
137.02483	2.8
150.03244	1.3
151.04016	3.9
161.02448	29.8
165.49025	0.5
165.51793	0.4
177.01920	0.5
179.03505	2.5
195.02960	3.7
212.03096	0.6
213.64705	0.5
227.05638	1.7
242.08313	0.8
254.05820	1.3
265.05081	0.9
266.05826	0.9
269.04517	14.6
270.05173	2.3
273.84821	0.4
325.07156	51.6
326.07538	6.9
344.27011	0.5
389.08975	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	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	32.4
60.02060	1.5
60.59493	1.4
61.98830	100.0
66.06026	1.4
69.03475	3.9
69.47799	5.3
69.48235	5.7
71.01387	9.3
71.04999	1.4
72.99294	4.1
73.02938	1.5
74.03316	1.5
79.85208	1.4
85.02945	2.5
86.47084	1.7
87.00865	4.7
89.02431	7.4
90.02760	1.9
93.03461	2.5
101.02437	5.2
109.02955	9.8
113.02438	4.5
119.03495	2.5
123.04519	4.1
135.04529	4.3
137.02432	4.8
138.02780	1.5
139.03992	2.1
140.04323	1.8
153.05521	1.6
159.04501	3.0
161.02408	4.3
164.03488	2.4
179.03436	7.4
209.08115	1.8
211.06094	2.9
226.08369	2.0
255.06572	3.4
269.08212	3.4
313.07352	2.7
327.08810	2.5
388.12628	2.9
388.16937	12.8
389.18307	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.37693	46.7
61.57021	48.5
61.98826	89.5
71.62756	60.5
71.63155	56.7
108.78907	51.5
111.39257	49.1
115.37948	58.6
126.83675	51.7
139.54251	53.4
178.30858	55.1
207.95001	50.6
246.08218	54.5
283.07513	59.7
312.54425	57.9
355.40027	56.9
358.81247	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19005	42.3
70.84747	100.0
70.85108	86.2
73.13652	41.2
79.12228	38.1
84.52846	50.1
87.38972	42.4
102.02722	49.1
116.52895	40.2
362.95514	53.2
385.19202	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03434	2.6
58.00581	1.5
59.01379	100.0
60.01725	1.5
71.01381	19.2
71.40133	2.0
72.99295	0.9
73.02950	7.1
83.01378	3.3
85.02948	8.4
86.03732	0.9
87.00877	1.6
87.04469	1.1
89.02441	4.6
95.01357	1.1
97.02933	1.2
97.06616	1.3
98.15600	1.0
99.00890	1.5
99.04504	2.2
101.02434	15.9
109.02949	2.0
113.02450	6.6
119.03488	1.4
130.66527	0.8
135.04524	4.2
137.02429	1.7
143.03465	0.8
146.49771	0.9
161.02435	1.3
161.04568	8.6
163.11292	3.4
165.12857	6.1
173.58398	0.8
177.12813	1.2
179.03519	2.6
181.12350	12.1
195.13867	3.7
207.10303	2.0
223.13464	1.3
225.04076	2.2
225.11320	43.6
226.11656	2.8
239.12900	2.7
267.12390	9.9
268.12567	1.1
327.14392	6.3
327.18146	3.2
345.15173	1.7
345.19150	21.6
385.23749	2.1
387.16528	5.2
387.24915	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94413	1.4
55.01860	2.5
58.00597	1.5
59.01383	100.0
59.09014	1.6
61.98832	4.1
69.67657	10.3
71.01383	36.5
72.99306	3.6
73.02928	4.6
83.01360	4.3
85.02965	9.4
85.45924	1.3
89.02445	30.2
95.01359	2.7
98.19733	1.5
99.00858	2.0
101.02441	26.3
113.02442	12.8
119.03519	11.6
123.08144	6.2
137.09703	1.5
146.49817	1.4
152.08308	1.7
153.09212	2.8
161.04553	5.1
163.11314	11.1
189.12793	10.2
207.10291	13.1
207.13867	11.3
218.30173	1.5
218.32507	1.5
387.16534	83.8
387.65485	1.5
388.16855	13.9
412.44998	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	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01877	1.3
57.03429	0.9
58.00597	2.6
59.01381	42.6
59.36360	0.5
60.51749	0.6
60.68959	0.5
71.01382	10.0
71.13414	1.4
72.99314	1.3
73.02950	6.4
83.01385	1.3
85.02953	7.7
86.03734	1.6
87.00864	0.6
87.04534	3.7
89.02441	2.4
95.01378	0.6
95.05028	1.3
97.00695	0.6
97.02921	0.6
99.00855	1.1
99.04519	5.2
101.02449	8.8
109.06593	0.6
111.04577	0.5
111.08181	0.6
113.02438	2.1
125.02467	1.1
127.07664	0.7
161.04530	2.2
163.11293	8.0
164.11736	0.6
165.12843	1.1
177.12862	1.6
181.12341	30.3
182.12672	2.3
188.03271	0.4
193.12341	0.6
195.13907	11.0
196.14305	0.7
205.12167	0.7
207.10294	4.4
223.13351	4.0
225.11317	100.0
226.11671	8.9
239.12926	5.3
267.12381	19.1
268.12747	2.0
273.10950	0.6
297.13522	2.9
327.14471	16.3
327.18381	0.8
328.14780	1.7
345.19202	5.0
385.23688	0.9
387.16571	11.0
387.21201	0.9
387.25629	0.7
388.16928	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	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.00780	0.5
55.01860	0.6
59.01384	46.1
60.01713	0.7
70.62471	1.4
71.01385	9.5
72.01723	0.5
72.99305	0.7
79.21676	0.5
83.01398	0.9
85.02942	1.4
89.02450	12.0
95.01412	0.6
98.20494	0.6
101.02448	6.8
113.02455	3.7
119.03506	5.1
143.03592	0.6
163.11267	3.1
179.05690	0.5
187.04347	0.6
207.08311	0.8
207.10254	14.5
208.10500	1.0
287.81183	0.6
305.47043	0.5
357.53897	0.5
387.16602	100.0
388.16940	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	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01381	100.0
62.10753	1.4
71.01385	33.5
72.99306	3.4
73.02954	10.9
83.01398	4.1
85.02959	6.0
87.00883	2.9
89.02451	33.3
90.08907	1.7
93.03458	14.8
95.01410	3.1
95.05003	7.6
97.02953	1.6
98.20701	3.8
101.02448	19.0
107.05029	4.1
113.02455	12.9
119.03513	13.3
131.03499	2.9
136.01671	3.5
139.03958	2.5
140.24872	1.4
143.03465	3.2
151.03947	4.1
161.02467	2.5
161.04547	3.6
163.11295	41.1
164.11729	3.3
166.02686	1.6
179.05608	3.5
181.04999	2.4
207.10260	92.7
208.10640	9.1
230.06665	1.5
347.04468	1.6
387.11594	2.3
387.16580	26.3
388.17029	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	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
58.00597	0.5
59.01384	20.7
69.03476	0.7
69.67838	2.8
70.36315	0.4
71.01382	9.8
72.99340	1.2
73.02948	5.8
76.00320	0.5
79.10724	0.5
81.03481	0.7
83.01379	2.3
85.02956	4.0
85.48926	0.4
87.00922	0.5
89.02455	4.3
90.17035	0.4
93.03483	1.8
95.01436	1.6
95.05058	0.8
96.66354	0.5
99.00900	0.9
101.02444	9.4
101.03056	0.7
101.99651	0.5
105.84808	0.4
107.05095	0.9
108.02162	2.7
109.02967	4.5
111.00907	0.5
113.02463	4.0
119.03532	1.5
119.04977	0.4
121.02958	6.1
121.06618	0.8
121.10249	0.6
122.03783	2.6
123.00890	4.0
123.04572	1.3
124.01687	0.6
125.02451	1.4
133.03047	0.6
134.03708	0.8
135.04532	2.7
136.01663	75.3
137.02483	17.5
138.02817	0.6
139.00323	0.8
139.04022	1.2
143.03548	0.6
147.04504	0.5
149.02484	2.2
149.06081	1.1
151.00391	18.2
151.04008	100.0
152.01064	1.6
152.04340	4.7
154.02698	0.7
158.03831	0.5
159.04503	1.3
160.05295	1.6
161.02472	2.3
161.04564	1.5
161.05937	0.4
162.03238	2.0
163.04007	1.9
163.11304	1.7
164.04808	0.8
164.11594	0.5
165.01927	1.2
165.09184	1.8
166.02711	40.0
167.03230	3.4
175.04027	1.4
175.07582	1.5
177.01949	2.6
177.05547	1.9
178.03000	0.5
179.03474	1.9
179.05554	0.6
179.07100	0.7
181.05067	62.2
182.05397	3.3
184.03740	0.9
187.03943	0.8
189.05551	0.8
190.06303	1.0
191.03537	0.9
192.04245	1.1
193.05086	0.7
195.02940	0.9
199.34015	0.5
205.05028	1.7
205.08655	1.3
207.10208	3.2
219.06564	0.7
271.09015	0.5
284.06708	0.6
299.09058	1.2
311.10107	1.1
324.59042	0.5
326.11719	0.6
327.08514	1.1
327.14481	1.1
329.10355	3.7
341.13654	1.5
345.15561	2.4
346.15671	0.6
357.09799	18.8
358.10226	2.4
372.12128	14.7
373.12134	1.8
387.14261	38.4
388.14526	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	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.2
71.01389	6.8
72.99323	2.7
73.02957	2.0
83.01436	1.0
84.02152	0.8
85.02975	3.2
87.00896	1.1
89.02435	5.4
93.03472	2.0
95.01402	2.9
96.96036	2.8
98.17010	0.7
99.00864	0.9
101.02458	5.6
102.62318	0.8
108.02190	2.8
108.04546	0.9
109.02976	5.7
113.02464	2.7
119.03521	2.6
121.02960	7.3
122.03786	1.3
123.00865	4.2
123.04552	2.3
125.02435	2.1
132.02092	0.9
133.02945	1.0
134.02580	1.2
134.03738	3.9
135.04546	7.8
136.01662	71.5
137.02490	18.5
139.04012	1.2
145.02972	2.6
147.04527	1.8
149.02419	2.1
149.06061	2.6
150.03206	0.7
151.00395	17.1
151.04005	100.0
152.01060	2.3
152.04482	5.3
154.02751	0.7
159.04558	1.5
160.05237	1.5
161.02487	3.3
161.04555	1.7
161.05934	0.7
162.03217	2.3
163.04010	2.6
163.11266	1.8
165.01927	1.1
165.12831	0.9
166.02718	41.3
166.04955	1.2
167.03412	4.2
167.07132	1.7
175.03973	2.7
175.07651	1.5
176.07857	0.7
177.01913	3.5
177.05577	2.1
179.03490	3.2
179.07027	0.8
181.05064	56.1
182.05424	3.3
184.03802	1.5
187.04092	0.8
189.05597	0.8
190.02725	0.8
190.04837	0.7
190.06432	0.9
191.03543	1.2
191.07057	0.9
192.04280	0.9
193.05048	0.8
197.04433	1.3
205.05089	1.5
205.08704	1.5
207.06613	1.5
207.10240	2.9
207.13895	0.9
227.03194	0.7
237.05647	0.9
239.07063	0.9
241.05006	1.0
256.11014	1.3
267.06522	2.2
269.07889	0.8
283.10129	1.3
284.10645	1.8
295.09634	1.6
296.10577	1.5
297.11252	1.7
299.09335	2.0
300.09976	4.0
311.05786	1.0
311.09567	3.7
312.06781	1.2
312.10043	10.9
313.10342	1.5
315.12375	7.3
326.11603	0.9
327.09082	1.2
327.12363	14.2
328.12564	2.1
329.10123	3.0
337.06784	0.7
341.13953	1.5
343.12756	0.9
345.13504	4.9
346.13794	1.2
355.09219	4.5
357.09818	21.7
358.10013	3.6
372.08057	1.0
372.12173	14.8
373.12454	1.8
387.14380	50.7
388.14563	6.9
389.76804	0.8
397.05493	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	387.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24057	1.7
55.01867	2.2
59.01383	52.2
60.01704	1.8
60.47234	1.4
61.14573	1.5
62.46742	1.6
69.65388	4.8
69.65822	4.4
71.01386	39.4
72.99306	7.0
73.02953	9.8
78.00902	1.3
83.01373	4.7
85.02946	12.1
87.00873	3.3
89.02446	25.1
89.48791	1.3
93.03463	42.3
95.01367	3.7
101.02447	24.7
103.04018	2.2
105.05567	1.9
109.02946	2.6
113.02451	14.9
117.17976	1.4
119.03502	11.5
121.02967	7.7
123.04536	9.8
125.02418	2.4
135.04416	1.6
136.01686	2.3
136.77692	1.5
137.02451	100.0
138.02771	4.7
139.04018	61.5
140.04347	3.7
143.03343	1.5
153.05565	8.3
161.04491	4.3
163.03993	1.8
163.11247	6.3
164.03568	10.3
165.04108	1.7
177.01877	5.3
179.03416	1.7
179.05673	1.7
192.04213	4.1
207.06682	14.7
221.41768	1.5
287.91678	1.5
311.05511	2.3
343.08325	2.0
372.24911	1.4
387.12796	87.4
387.16714	8.6
388.13181	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	387.1299
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
52.61754	1.7
55.01883	2.7
57.03436	3.1
57.23038	1.5
58.00597	1.6
59.01382	87.3
59.85685	1.5
60.01695	1.5
61.98831	9.4
71.01386	53.1
71.05032	1.6
72.01717	1.8
72.99306	10.0
73.02943	12.4
74.02475	3.0
75.00885	1.8
83.01389	6.5
85.02951	16.0
86.68451	1.5
87.00883	4.3
88.04046	2.4
89.02452	39.9
93.03461	37.8
94.03834	2.3
95.01382	6.0
97.02950	3.7
99.00885	4.7
99.04506	2.2
101.02449	29.7
105.05556	2.0
108.02198	4.4
109.02934	6.8
111.00892	2.1
113.02456	18.5
119.03511	15.0
120.99634	3.0
121.02979	9.2
123.04537	39.8
124.04799	1.7
125.02426	3.9
133.02980	2.2
135.04507	5.0
136.01686	2.3
137.02457	100.0
138.02785	5.0
139.04022	41.1
140.04343	2.1
143.03525	2.2
147.04472	1.7
149.02481	3.2
150.03284	1.6
151.04005	2.6
152.01141	4.8
153.01958	3.4
153.05591	42.3
153.06837	2.1
153.09256	1.7
161.02414	5.1
161.04575	4.1
163.03963	2.4
163.07735	2.4
163.11270	6.2
164.03555	7.5
165.05559	1.8
173.66170	1.6
177.01930	4.9
179.03537	4.9
179.05542	2.2
187.10889	2.0
191.03485	2.1
192.04305	8.7
203.03435	2.4
207.06627	20.3
207.10298	7.7
208.07010	1.7
225.07712	3.3
227.03415	2.8
233.06622	3.0
247.02780	1.6
253.05153	2.7
269.04388	1.6
281.06641	3.2
293.08609	1.7
300.15781	2.6
308.47504	1.8
311.05667	4.0
343.08267	2.2
387.12848	85.8
387.16806	30.3
388.12656	8.6
388.16965	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	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40400	0.8
57.03453	0.9
59.01386	9.5
61.44357	1.0
70.09811	2.2
70.10201	2.9
71.01386	5.5
73.02937	3.0
81.03465	2.3
82.93066	0.9
83.01353	1.5
85.02961	6.4
89.02447	6.8
90.87023	0.9
93.03460	1.2
95.01406	5.0
98.19991	1.2
101.02425	2.3
108.02178	89.8
109.02969	69.0
110.03279	4.0
121.02962	2.3
123.00876	2.7
123.04499	1.7
130.14885	0.9
135.04506	2.7
137.02419	1.5
137.09702	1.1
151.03999	1.7
152.01157	87.2
153.01953	37.3
154.02182	0.9
161.02415	0.9
163.04010	2.7
165.01938	2.5
167.03419	1.5
167.10770	3.8
183.06598	1.2
271.64926	1.0
315.07297	4.3
357.08197	2.5
369.08282	16.8
387.09323	100.0
388.09653	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	387.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11201	0.8
50.34904	0.7
59.01385	16.5
71.01376	5.8
72.99293	1.4
73.02947	3.6
83.01374	1.0
85.02962	2.1
87.00861	2.3
89.02439	2.7
98.19865	2.4
101.02474	4.2
101.92166	0.8
108.04558	4.9
111.99370	0.9
113.02480	2.0
116.92846	0.9
119.03434	1.0
122.06122	3.0
123.35960	0.9
125.99815	0.9
132.04573	2.5
135.04518	2.3
136.04027	1.3
137.02437	1.1
137.04245	2.7
139.04077	0.9
139.31157	0.8
148.04031	0.8
159.03215	1.4
160.04048	21.1
161.02428	2.3
161.04510	3.4
162.05598	1.4
173.86240	0.8
175.02708	2.1
176.07150	0.9
182.08466	0.9
186.01906	1.6
188.03534	12.4
189.04039	1.4
190.05087	2.2
204.02956	5.6
210.05518	0.9
210.07950	1.2
211.08757	1.7
211.12260	2.1
218.04599	15.5
219.05092	2.0
220.06146	1.9
224.09520	0.8
225.10451	1.1
239.11888	4.9
240.05434	1.8
240.10284	2.2
241.06093	1.7
243.11363	2.0
251.08354	2.0
252.08966	3.9
253.06242	2.1
254.06783	1.9
255.07677	3.6
255.11366	1.2
266.08218	1.4
267.07611	2.7
267.11356	16.4
268.09601	2.7
268.12042	1.5
269.09302	4.0
280.05219	1.0
281.05658	13.4
282.06308	2.5
283.07306	1.8
283.10910	4.5
293.09219	1.7
295.07224	3.8
296.07983	5.5
297.08017	1.1
309.08777	2.8
311.10370	100.0
312.10706	14.0
315.09552	1.2
323.12186	0.8
327.12488	1.2
337.08258	12.9
338.08398	1.5
343.12897	2.6
345.13443	1.1
355.09354	33.3
356.09833	4.8
387.11893	12.2
387.16458	3.0
388.12198	1.6
401.69623	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	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67517	0.3
57.03444	0.4
58.00583	0.2
58.24788	0.2
59.01378	3.2
61.82397	0.3
65.08337	0.2
68.99817	0.4
69.49567	2.1
71.01383	3.0
72.99306	0.6
73.02946	0.3
75.00875	1.8
79.09170	0.2
81.96100	0.3
83.01383	0.3
85.02952	2.0
87.00883	0.6
87.32384	0.2
89.02430	0.9
89.02930	0.2
89.29205	0.2
91.53708	0.2
93.03460	48.2
94.03793	1.5
95.01357	0.4
99.00864	0.9
101.02428	0.4
113.02454	1.7
117.01952	0.4
119.03511	0.3
137.02446	100.0
138.02777	4.9
142.54146	0.3
153.01930	1.2
168.04298	1.1
183.06673	0.5
189.12906	0.3
249.06149	18.6
250.06503	1.2
252.92459	0.3
269.07852	0.4
387.09158	3.4
387.16754	0.6
388.09781	0.5
413.34952	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	387.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03447	0.8
58.13551	0.5
59.01381	11.7
71.01385	9.8
71.64738	0.6
72.99310	30.5
73.02949	2.0
83.01401	0.7
85.02965	4.0
87.00879	1.2
89.02454	4.8
93.03460	1.2
99.00885	0.8
101.02448	7.1
107.05032	1.9
108.02188	0.8
109.02964	1.6
113.02446	4.1
117.03467	2.5
119.03492	2.0
121.02955	0.9
122.03756	0.7
122.06118	1.7
123.04527	13.6
132.04570	0.8
133.02962	5.7
134.03789	3.6
135.04529	76.1
136.04848	5.1
137.02470	2.6
138.03181	0.8
145.02950	3.7
149.02434	1.1
151.04012	33.6
152.04352	2.1
159.02989	0.8
161.01091	1.1
161.02449	20.2
161.04480	2.9
162.02989	1.2
163.04010	58.6
164.04361	3.4
166.02745	1.0
179.03497	32.3
180.03929	1.4
181.05078	2.4
197.04559	26.4
198.04851	1.8
207.02982	8.1
207.10381	0.8
225.04048	100.0
226.02287	0.9
226.04393	8.1
227.03418	1.7
228.04388	0.7
229.04590	0.6
255.15866	0.6
311.05545	2.5
311.10223	2.9
355.09171	1.3
386.22351	0.7
387.07248	4.3
387.11621	1.2
387.16315	2.2
387.20688	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	386.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50845	2.6
59.01383	100.0
61.96414	2.6
61.98827	4.7
70.87766	6.5
103.03706	2.6
133.38441	2.4
163.99579	3.6
192.43459	3.2
341.46478	2.6
343.26611	5.1
387.25183	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	387.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.7
61.38409	0.6
63.15595	0.5
65.03992	0.5
68.99834	0.7
71.01395	0.7
72.99302	1.0
73.02931	0.5
82.29959	0.6
85.02974	1.0
89.03990	0.7
91.05587	1.0
101.02458	1.0
107.05032	2.3
109.02953	11.8
117.03403	1.2
119.01379	2.3
123.00867	1.6
133.02922	1.2
134.03749	10.1
135.04530	100.0
136.04860	5.2
137.02454	37.7
138.02800	2.1
147.00856	3.7
148.01677	13.3
149.02432	1.6
161.02423	3.6
175.00429	3.0
177.01913	1.1
179.03500	80.7
180.03867	4.5
207.00996	0.7
207.02980	24.1
208.03342	2.6
225.04047	32.8
226.04410	2.5
280.35284	0.6
284.03223	1.0
377.38806	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	385.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08153	0.5
52.54314	0.4
59.01382	3.2
61.98832	100.0
69.94255	1.7
83.30772	0.6
98.19911	0.4
104.23892	0.5
114.99520	0.4
115.00283	0.4
118.39867	0.5
125.92360	0.4
130.08749	3.9
150.20361	0.4
153.09277	0.5
161.02538	0.6
179.03540	0.6
180.70313	0.4
187.25691	0.4
196.63168	0.4
280.06094	0.5
322.20395	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	385.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34322	10.0
53.34571	11.4
57.13807	10.6
57.32616	11.6
59.01389	100.0
61.98820	35.9
69.52405	85.1
69.90599	10.2
82.77383	10.7
97.29095	9.9
97.42584	10.1
106.76463	9.1
134.08380	11.7
161.24135	10.2
244.05894	10.7
276.25208	10.9
320.32553	10.4
332.15295	10.7
337.59116	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	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05350	0.7
55.01867	3.7
57.03450	4.7
58.00598	4.7
59.01381	100.0
61.54087	0.6
67.01901	1.1
68.99831	1.0
69.03450	1.7
69.76060	5.1
71.01385	87.3
72.01743	1.6
72.99301	6.3
73.02947	14.9
75.00879	2.4
81.03464	1.2
83.01404	6.5
85.02952	28.8
86.03316	1.2
87.00883	8.9
89.02448	60.1
90.02779	1.0
93.03389	1.0
95.01404	6.1
95.05021	1.3
96.95984	1.3
97.02947	4.4
99.00881	6.4
101.02448	47.6
102.02788	1.0
108.02178	2.2
108.05788	1.6
109.02986	1.4
109.06588	1.0
111.00871	1.9
113.02450	32.1
113.06085	2.0
114.02776	1.2
119.03506	24.9
119.04844	0.9
120.03825	1.1
121.02953	35.9
121.06593	0.9
122.03202	1.4
123.08135	3.1
124.01673	0.9
125.02451	1.8
125.06063	2.0
127.00379	2.5
129.01936	1.5
131.03465	1.7
135.04495	1.4
136.05281	2.3
137.02455	6.3
137.06113	2.0
137.09744	1.4
138.06865	13.8
139.07661	5.4
141.01865	1.5
143.03513	4.8
149.04575	1.5
149.06021	1.1
151.06548	0.9
151.07651	12.6
152.01167	1.6
152.04814	1.4
152.08444	28.0
153.09215	61.6
154.09541	3.0
159.02998	3.8
161.04553	16.8
161.09705	2.5
163.11314	1.9
166.06337	1.0
167.07056	1.1
171.10432	1.2
175.07651	1.3
175.11279	1.5
176.08397	2.2
179.05644	3.9
179.10701	1.2
181.05063	2.1
181.08678	2.8
187.09720	1.4
187.11284	14.9
188.11633	1.5
189.09132	2.8
190.10011	4.8
204.11548	4.8
205.12332	33.1
206.12704	2.8
215.03722	0.9
215.10699	2.1
223.13388	8.8
225.11044	0.8
233.11859	7.9
249.06076	2.7
259.13458	1.3
263.07733	7.5
267.07144	5.4
277.14325	3.4
283.36353	0.9
286.45020	0.9
325.12903	3.8
343.13681	1.6
370.88452	0.8
385.05841	2.2
385.11340	7.7
385.18707	7.4
386.11792	1.1
386.18808	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
57.03447	2.9
58.00602	2.5
59.01379	69.9
60.01702	1.4
68.60436	0.4
69.03472	0.9
69.61201	3.5
71.01382	66.1
72.01723	1.0
72.99314	3.0
73.02947	12.1
81.03452	0.8
83.01396	4.3
83.05029	1.3
85.02951	21.3
87.00884	3.3
89.02446	33.9
95.01393	5.3
95.05023	2.0
97.02962	5.2
97.06586	0.8
99.00865	6.2
101.02445	34.0
102.02776	0.7
105.07112	0.6
107.05042	0.7
108.05814	2.0
109.02961	0.7
109.06617	1.0
111.00859	1.4
111.04523	0.7
113.02449	26.0
113.06086	3.0
114.02796	1.0
119.03510	11.4
121.06604	0.8
122.03718	1.7
123.08155	3.9
125.02445	1.0
125.06071	3.4
129.01924	0.9
131.03548	1.2
132.97768	0.5
135.08212	1.3
136.05305	3.7
137.06081	1.4
138.06873	20.9
139.07686	9.0
143.03452	3.0
147.08170	0.7
149.04576	0.8
149.06050	0.7
151.07651	21.9
152.04910	2.7
152.08430	43.0
153.09213	100.0
153.36790	0.5
154.09569	6.9
157.98637	0.5
159.02979	4.0
161.04559	20.8
161.09767	0.7
162.04916	0.6
163.11267	3.0
165.09203	2.1
165.35110	0.6
167.07141	1.9
179.05623	2.5
187.11201	0.6
189.09213	1.0
189.55298	0.5
190.09982	2.0
205.12320	30.5
206.12659	3.1
223.13390	13.8
224.13693	2.1
225.11307	20.6
226.11548	1.3
298.28973	0.5
351.42593	0.5
373.31427	0.5
385.14243	0.7
385.18686	8.8
386.18839	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	385.1867
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
55.01881	2.3
57.03447	2.9
58.00602	2.5
59.01379	69.9
60.01702	1.4
68.60436	0.4
69.03472	0.9
69.61201	3.5
71.01382	66.1
72.01723	1.0
72.99314	3.0
73.02947	12.1
81.03452	0.8
83.01396	4.3
83.05029	1.3
85.02951	21.3
87.00884	3.3
89.02446	33.9
95.01393	5.3
95.05023	2.0
97.02962	5.2
97.06586	0.8
99.00865	6.2
101.02445	34.0
102.02776	0.7
105.07112	0.6
107.05042	0.7
108.05814	2.0
109.02961	0.7
109.06617	1.0
111.00859	1.4
111.04523	0.7
113.02449	26.0
113.06086	3.0
114.02796	1.0
119.03510	11.4
121.06604	0.8
122.03718	1.7
123.08155	3.9
125.02445	1.0
125.06071	3.4
129.01924	0.9
131.03548	1.2
132.97768	0.5
135.08212	1.3
136.05305	3.7
137.06081	1.4
138.06873	20.9
139.07686	9.0
143.03452	3.0
147.08170	0.7
149.04576	0.8
149.06050	0.7
151.07651	21.9
152.04910	2.7
152.08430	43.0
153.09213	100.0
153.36790	0.5
154.09569	6.9
157.98637	0.5
159.02979	4.0
161.04559	20.8
161.09767	0.7
162.04916	0.6
163.11267	3.0
165.09203	2.1
165.35110	0.6
167.07141	1.9
179.05623	2.5
187.11201	0.6
189.09213	1.0
189.55298	0.5
190.09982	2.0
205.12320	30.5
206.12659	3.1
223.13390	13.8
224.13693	2.1
225.11307	20.6
226.11548	1.3
298.28973	0.5
351.42593	0.5
373.31427	0.5
385.14243	0.7
385.18686	8.8
386.18839	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69250	1.4
58.00612	1.7
59.01382	100.0
60.01730	1.3
69.57282	9.1
69.57634	1.5
71.01381	21.1
72.99319	3.8
73.02946	4.1
79.63125	1.1
81.60740	1.0
83.01398	1.3
85.02966	6.1
85.21727	1.3
87.00865	6.9
89.02448	23.2
94.19810	1.1
95.01418	2.1
97.06606	2.8
99.00862	2.2
101.02444	11.8
111.00911	3.4
113.02467	9.7
119.03516	10.4
131.03537	1.4
135.08153	1.3
143.03506	2.1
147.08127	2.4
153.09238	2.6
159.02985	1.6
160.02010	1.2
164.88472	1.3
165.09111	1.3
172.63643	1.2
179.05623	2.9
187.11440	1.1
205.12317	3.9
225.11324	96.8
226.11632	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
62.51088	0.9
69.64141	7.3
71.01386	7.2
72.99307	15.7
73.02947	3.2
75.00891	6.0
78.82742	1.0
83.01360	1.9
85.02945	3.6
87.00877	1.6
87.04504	1.4
89.02441	4.9
101.02445	4.9
108.02175	39.6
109.02986	10.9
113.02448	3.9
119.03499	3.0
126.88855	1.0
127.00329	1.5
135.03000	15.8
135.04529	2.6
137.02423	1.5
137.09804	1.2
149.04472	1.0
151.04005	1.4
152.01166	22.7
153.01947	12.4
161.04546	1.9
163.04013	1.2
165.01709	1.2
185.72343	1.2
191.02013	1.3
205.12212	1.4
207.13977	1.6
249.48438	1.2
251.12999	1.1
272.51904	1.1
385.11240	23.7
385.18723	2.5
385.22681	2.1
386.11786	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14676	0.9
55.01867	2.7
57.03438	3.0
58.00594	2.2
59.01380	100.0
59.07197	0.8
60.01716	1.8
61.98816	2.9
68.99826	1.1
69.03452	1.9
70.90000	1.5
70.90340	2.0
71.01382	41.2
72.99305	3.9
73.02947	10.2
75.00867	1.2
83.01379	6.0
85.02952	16.3
87.00880	6.2
87.04503	1.6
89.02448	30.5
93.03455	5.8
95.01391	4.6
96.96011	3.6
97.02953	1.3
99.00861	3.7
99.92516	1.2
101.02444	27.6
103.03999	1.9
108.02152	7.7
109.02935	3.1
111.00892	2.4
112.01665	1.9
113.02453	17.2
115.03993	1.2
115.92061	2.6
116.92867	2.6
118.95964	1.0
119.03511	14.0
121.02915	4.5
122.03754	1.2
125.02435	2.9
125.99598	2.8
127.00356	4.4
129.01947	2.0
131.03493	1.8
133.02962	1.1
135.04536	4.3
135.08110	1.0
136.01642	1.1
137.02446	31.7
137.09595	0.9
137.15639	0.9
138.02837	1.2
141.01956	15.7
143.03494	2.2
145.02959	2.2
149.04572	1.2
151.03879	0.9
151.07617	1.3
152.01186	4.4
152.08403	1.1
153.09151	4.4
159.03084	2.0
159.04338	0.9
161.02408	2.7
161.04565	5.1
161.09698	1.5
163.04033	0.9
166.06346	17.0
167.07076	2.2
169.63188	0.9
176.08366	1.6
179.03435	1.2
179.05602	3.9
181.08702	23.5
182.08975	2.2
187.11256	7.1
188.11749	1.0
189.09338	1.0
190.09923	1.7
195.06570	1.7
199.03961	1.6
204.11539	2.5
205.12358	10.3
211.04027	1.3
223.06346	1.1
223.09773	1.4
223.13321	1.5
225.11316	16.1
226.02605	1.5
226.11717	1.6
227.03525	1.1
230.02132	1.5
233.11745	4.9
237.05739	1.8
241.05299	1.0
243.02931	7.3
265.09198	1.4
267.07071	2.2
277.14301	1.5
281.04437	1.0
310.10541	1.5
325.12891	44.3
326.13174	5.2
343.13925	28.4
344.14243	3.7
367.04437	1.2
385.05615	17.8
385.11298	8.8
385.18787	2.9
385.22479	2.6
386.05896	2.5
386.11230	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	385.1142
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
54.25083	0.5
59.01379	9.3
60.22288	0.6
66.92284	0.6
69.31236	4.3
69.31656	1.9
71.01385	2.8
85.02950	0.6
87.00864	3.5
89.02457	0.7
93.03467	8.0
98.20677	0.9
101.02479	0.9
109.02949	0.7
113.02454	0.6
121.02951	7.2
127.00405	1.7
133.02962	0.8
135.04521	4.7
137.02441	9.4
149.02440	41.1
150.02806	2.2
150.06836	0.7
152.01157	7.6
161.02460	1.9
162.06873	1.2
163.04002	5.0
163.07664	1.0
164.04796	30.7
165.01958	2.2
165.05080	1.4
167.03494	0.8
169.05084	2.9
179.03490	0.8
179.07143	10.2
180.07956	3.3
181.08733	1.9
190.02808	0.8
193.01410	18.1
193.75722	0.6
208.03757	36.6
209.04085	2.5
223.06110	100.0
224.06479	5.9
225.11331	9.8
226.11597	1.3
385.11502	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	385.1138
Annotation	Axitinib
Peak:m/z	Relative Intensity
59.01382	17.4
63.73577	0.3
69.33880	2.2
69.34294	0.9
71.01385	1.1
72.99313	0.5
73.02950	1.0
74.90453	0.3
75.36610	0.4
81.03481	0.9
85.02960	1.8
87.04510	3.1
93.03450	0.6
95.01390	1.3
101.02437	1.2
107.05047	0.5
108.02179	100.0
109.02998	19.5
110.03309	0.5
112.77093	0.3
113.02421	0.8
121.02943	0.7
123.00888	1.0
123.04534	1.0
133.02873	0.9
135.04504	0.7
137.02390	0.6
151.04007	1.7
152.01158	55.1
153.01956	18.3
153.09187	0.5
154.02271	1.0
161.02397	0.6
161.04468	0.5
163.04012	0.8
165.01932	1.1
182.49622	0.4
242.85178	0.4
296.29041	0.4
309.99219	0.4
371.82089	0.4
385.11386	60.6
386.11761	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	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10909	0.6
52.29982	0.6
55.01911	0.9
57.03453	4.3
59.01378	27.3
62.35266	0.6
67.01916	0.8
68.99846	2.2
69.03464	1.7
69.90665	0.6
71.01382	30.1
71.64920	1.2
72.01747	0.7
72.99310	6.5
73.02972	2.8
75.00874	21.2
75.01273	1.1
75.47078	0.6
81.03515	0.9
83.01418	2.1
83.61008	0.7
85.02952	31.6
87.00877	12.1
87.01344	0.9
89.02451	10.3
91.05534	22.3
91.06085	1.2
93.03503	1.1
95.01392	6.9
96.96043	0.7
97.02971	1.2
97.06635	1.0
99.00887	13.2
99.01503	1.1
101.02445	3.7
103.00386	2.3
103.04028	1.0
104.89795	0.7
106.73745	0.6
109.02985	0.8
111.00900	1.7
112.01657	0.9
113.02452	38.8
114.02829	1.1
115.00379	2.1
117.01994	2.9
117.03444	5.3
119.03512	1.2
123.04566	0.8
125.09744	0.9
126.10100	0.8
127.00385	4.5
127.43792	0.7
129.01962	2.6
131.03510	1.1
135.04530	10.6
137.02470	7.0
138.06879	1.3
139.00400	0.9
139.44632	0.7
151.07684	1.7
152.08464	2.0
153.09274	4.7
157.01434	1.5
161.04546	1.1
162.89391	1.0
175.02530	3.2
183.67238	0.7
188.10175	0.9
205.07190	2.0
205.12323	2.1
207.05093	2.0
223.08112	1.6
223.13187	0.7
225.05684	0.8
225.11313	4.6
226.11647	0.7
231.05148	1.7
237.05771	0.8
249.06139	35.0
250.06523	3.1
267.07205	100.0
268.07535	6.6
281.04468	1.5
298.04694	0.9
309.04034	3.9
326.04193	1.3
341.06506	2.6
385.05759	2.6
385.11328	35.3
386.11859	4.3
394.98639	0.7
400.31946	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	385.1142
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01377	1.8
69.39914	1.9
69.40337	2.6
71.01387	1.6
73.71181	0.4
79.00761	0.6
93.03465	1.3
101.02481	0.7
109.02953	0.6
113.02480	0.6
118.28954	0.6
121.02953	9.6
135.04533	2.1
137.02414	0.6
149.02448	76.0
150.02762	4.7
152.01149	3.6
153.01926	1.8
162.03160	0.6
163.04013	4.3
164.04796	70.5
165.01982	0.9
165.05119	3.9
167.03461	0.7
169.05069	1.6
179.07141	23.0
180.07471	1.4
193.01416	6.7
208.03770	23.3
209.04112	1.9
223.06111	100.0
224.06447	8.5
224.31833	0.5
265.07233	1.0
335.49625	0.5
341.06345	0.6
385.07916	0.8
385.13260	2.9
385.22116	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	384.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98832	1.6
81.22622	1.5
85.02866	1.2
87.35260	1.3
87.90450	1.3
99.62535	1.2
115.21858	1.2
116.79519	1.3
129.35988	1.7
135.04350	1.4
137.96242	1.6
146.02664	1.4
219.37321	1.6
229.13832	1.3
284.98819	1.4
296.89340	1.6
324.28845	1.6
384.22491	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	385.1141
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01382	11.3
69.27757	7.3
71.01371	1.8
85.02969	0.9
87.00871	2.7
93.03467	1.6
101.02476	0.8
101.82121	0.7
110.80937	0.6
121.02961	6.4
127.00417	1.0
133.02936	1.9
134.03654	0.7
135.04518	3.2
149.02449	40.9
150.02811	1.6
151.04018	1.2
152.01140	6.8
153.01468	0.9
161.02435	4.4
162.06866	0.8
163.04022	6.4
164.04803	35.3
165.01956	2.6
165.05141	2.4
167.03481	1.2
169.05064	2.9
179.07138	11.8
180.07883	1.6
181.08556	0.9
193.01419	16.2
205.04979	1.2
207.02948	0.9
208.03766	39.6
209.04120	3.2
223.06114	100.0
224.06422	9.5
225.11328	15.6
226.11694	2.2
267.07324	1.9
289.11249	0.7
329.55713	0.8
385.11340	4.9
385.15564	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77452	0.3
55.01866	0.4
55.29039	0.4
57.03460	0.6
59.01091	0.7
59.01379	9.4
69.61530	2.7
71.01383	4.7
72.99311	1.2
73.02948	5.9
83.01405	0.5
85.02960	2.0
87.00880	0.5
89.02442	2.2
89.93727	0.3
93.03461	58.9
93.66023	0.4
94.03817	2.1
94.19995	0.4
99.00900	0.5
99.86327	0.4
101.02456	2.7
103.04010	2.1
113.02481	1.8
119.03514	1.0
127.00407	1.2
131.03531	0.5
135.04495	0.7
137.02449	100.0
138.02763	4.8
152.08485	0.6
153.09250	2.1
161.02348	0.5
161.04553	1.5
163.11272	2.0
175.11287	1.5
179.03377	0.8
205.12332	7.5
206.12686	0.9
221.06691	0.6
225.11392	0.8
346.43616	0.4
371.04510	0.4
385.10721	0.5
385.15088	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	383.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.18776	24.1
61.01807	37.3
61.98829	99.6
78.84126	20.7
80.65874	19.5
89.73069	23.9
98.20612	66.7
108.36729	27.3
129.07434	25.7
170.13820	26.7
383.22455	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	383.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80775	1.5
53.35824	1.6
55.18480	1.6
58.00576	2.8
59.01382	67.8
71.01389	28.1
71.66299	2.1
72.99315	2.1
73.02940	2.1
83.01385	2.3
85.02939	7.7
87.04507	2.3
89.02451	39.8
90.02762	1.6
95.01376	2.0
95.68127	1.7
96.73554	1.5
101.02442	22.7
101.99620	2.7
106.06637	3.1
108.02178	6.3
109.02943	6.6
113.02449	12.6
119.02708	2.5
119.03500	14.1
127.00385	1.7
131.03598	1.5
132.04572	10.2
134.06134	18.0
135.04544	4.0
139.98329	1.9
147.04567	3.2
152.01270	3.3
153.01962	8.4
158.06120	7.4
161.02357	3.5
167.10780	17.1
176.03557	3.8
178.82460	1.4
179.05595	4.5
179.07053	2.4
185.11835	1.7
219.22054	1.8
242.22882	1.8
251.11871	5.3
279.11301	10.3
295.10947	3.9
323.10315	27.3
324.10477	4.8
347.17096	100.0
348.17471	9.5
381.55478	1.8
383.07980	2.2
383.12320	11.9
383.17087	15.6
384.17422	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	383.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92291	3.8
58.00575	5.0
59.01090	6.4
59.01378	81.7
59.08701	3.8
61.98833	100.0
70.86192	11.3
71.01391	62.5
72.00909	6.1
74.02464	15.4
77.47109	5.0
85.02948	6.7
87.00883	4.6
89.02448	81.6
95.01418	4.9
95.92379	4.5
101.02470	25.7
107.28035	4.3
113.02494	21.9
113.99899	4.2
116.05061	46.7
119.03480	17.9
125.61739	4.2
137.02455	8.4
142.06638	13.7
159.09222	5.3
161.04564	7.0
179.05591	10.5
203.08253	94.8
204.08499	9.4
327.31314	5.0
332.33740	4.8
345.19238	5.6
347.13385	16.6
351.89993	4.4
383.16821	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	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19527	0.3
59.01379	13.9
69.65224	1.6
69.65626	0.9
71.01366	0.7
93.03456	56.1
94.03781	1.8
96.96002	1.7
101.06082	1.2
104.05061	1.5
106.06614	2.8
108.04527	0.6
121.02959	0.4
130.06656	0.5
132.04539	12.0
133.04887	0.6
134.06117	16.3
135.04503	0.9
135.06424	0.7
137.02440	64.8
138.02748	2.8
144.04527	1.1
148.03995	0.6
152.07036	0.4
158.06116	7.0
160.04013	2.0
163.04024	2.1
164.04785	100.0
165.05112	6.7
176.03470	2.6
177.09175	0.7
179.07124	83.5
180.07455	5.7
188.03534	1.2
189.04308	0.5
202.05069	1.5
221.07098	0.4
225.10376	0.6
235.08833	0.8
237.01456	0.5
251.11908	6.1
252.12103	0.5
253.09850	1.4
279.11356	9.4
280.11679	1.4
294.10132	0.5
295.10892	4.2
296.11102	0.5
323.10339	25.1
324.10693	3.7
326.37247	0.4
339.13525	1.5
341.11642	0.6
355.12854	0.5
383.12537	15.6
383.17212	0.6
384.12799	3.3
386.75021	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	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
59.01380	68.6
59.12061	0.7
60.01714	0.9
61.98846	0.7
69.33637	0.7
69.46056	6.1
71.01389	4.6
72.99310	1.2
73.02940	0.8
83.01385	1.8
85.02950	1.2
87.00861	2.7
92.24131	0.7
97.06608	1.2
98.19867	1.1
99.00907	4.2
99.01424	0.7
113.02473	1.6
115.00359	1.2
127.00375	92.3
128.00729	2.4
129.01877	0.8
131.33672	0.7
133.16148	0.8
135.04520	3.1
135.08206	1.3
139.00334	1.7
145.29649	0.7
147.08159	2.1
157.01422	36.1
158.01752	1.8
161.02448	1.5
165.09137	0.8
173.59828	0.9
175.02493	1.3
177.01950	1.8
178.53423	0.8
179.03534	2.8
192.04201	1.8
207.06631	1.7
225.11313	100.0
226.11668	8.9
239.09323	0.8
339.05026	1.1
383.04596	1.0
383.08725	0.8
383.13528	15.4
384.13791	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	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.40593	0.6
60.01711	1.2
70.22784	2.4
78.95988	0.6
83.02728	0.5
87.56091	0.6
98.19843	0.7
113.79185	0.5
169.54825	0.6
175.52138	0.6
322.27557	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	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01743	0.3
59.01383	9.7
67.01904	0.3
69.62870	0.5
69.63270	1.8
71.01404	0.7
83.01412	0.4
85.02967	0.8
97.02974	1.9
101.02470	0.6
119.05074	0.3
135.04536	1.2
137.02473	1.1
145.02954	0.4
161.02454	0.3
161.06061	1.1
162.03258	4.0
163.04016	5.5
164.04794	100.0
165.05121	5.9
177.05562	7.1
177.50987	0.3
178.06328	3.7
179.07135	89.1
180.07466	6.3
185.56302	0.3
189.05577	1.1
221.08186	5.8
222.08366	0.5
245.08163	1.3
323.11368	10.9
324.11682	1.5
341.12460	4.5
342.12820	0.7
383.13382	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	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30703	0.4
69.53957	3.5
69.54319	0.7
95.72868	0.5
100.16019	0.5
101.06126	0.7
107.24230	0.4
109.02973	0.7
112.59983	0.4
119.63184	0.5
130.01813	0.5
133.02966	0.8
138.04158	0.5
149.06125	0.8
151.07716	1.6
162.95003	0.5
170.05849	4.0
177.01939	6.8
199.13394	0.8
233.19142	2.3
235.20692	1.4
236.21072	0.7
249.18752	0.8
251.20171	3.7
277.18079	83.4
278.18396	10.5
279.19644	26.1
280.19940	3.2
295.19125	100.0
296.19498	13.6
345.24255	0.7
363.25369	17.3
364.25610	3.1
381.20728	3.4
381.26389	6.3
382.26572	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13542	0.5
53.16520	0.5
59.01381	100.0
60.01717	1.6
61.98837	1.7
67.19873	0.5
71.01395	4.1
71.66061	0.7
72.99307	0.9
73.02956	1.2
75.00886	1.3
77.28895	0.5
85.02970	1.8
87.00890	1.1
87.04533	2.1
89.02456	2.7
99.92587	1.1
101.02448	2.5
101.06120	2.3
103.04038	2.0
105.03503	0.6
113.02462	1.9
115.92086	2.2
116.92855	2.6
119.03544	0.9
119.05032	1.0
127.00424	0.6
132.04590	1.0
133.03030	0.6
135.04547	3.3
136.04919	0.6
137.02461	0.7
137.05161	0.9
142.99843	0.6
145.05135	0.9
147.04546	0.7
158.06139	3.0
161.02411	0.6
172.95555	0.9
177.01924	8.5
202.05147	1.2
220.06052	0.7
249.06224	0.5
279.14563	0.7
340.64786	0.6
381.07986	0.8
381.13937	2.2
381.19193	1.8
382.11581	1.8
390.23563	0.5
402.33035	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	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41576	0.6
71.36673	0.5
76.80715	0.5
95.05045	0.9
98.19882	1.8
105.03448	3.5
129.75401	0.6
133.02963	17.9
134.03297	0.8
152.99553	0.5
153.12814	2.7
154.17342	0.6
162.99306	0.6
163.11284	1.5
165.12828	3.7
170.05844	2.9
177.01926	13.0
179.10774	10.1
181.12344	32.9
182.12689	2.2
195.10251	1.7
197.11806	2.4
199.13393	100.0
200.13785	6.9
215.12846	3.3
222.57892	0.6
310.44312	0.7
337.21686	0.8
344.11282	0.6
363.25314	4.6
364.25742	0.9
381.20679	7.0
381.26398	4.6
382.20938	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94014	0.6
59.01382	100.0
60.01708	1.5
63.27370	0.4
64.96503	0.4
68.75542	0.5
69.62938	2.9
71.01383	0.9
72.99331	0.9
87.07915	0.4
101.02448	0.6
117.03464	0.9
119.03545	0.5
119.05035	0.5
127.00378	2.3
135.04555	1.4
145.03004	1.2
161.02473	1.5
163.04066	0.5
176.52005	0.5
179.03546	0.5
235.62094	0.5
242.08298	1.9
322.12912	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	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
59.96719	1.7
60.97488	1.1
74.99070	19.5
75.96218	2.8
81.70409	1.2
91.02206	45.1
92.02173	1.6
93.00134	19.7
98.20622	3.1
99.92605	1.1
104.02964	1.0
109.75211	1.1
114.67190	1.1
159.08469	100.0
160.08601	4.6
161.06409	10.3
167.90425	1.1
177.09470	1.5
183.24852	1.2
238.37926	1.2
365.10870	1.8
381.20715	4.2
383.11905	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	381.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
58.00582	0.9
59.01381	18.8
67.01874	1.3
68.63824	0.9
68.99827	1.6
69.03436	2.4
69.48540	1.0
71.01386	20.1
71.63974	1.1
72.99310	6.8
73.02939	3.6
73.99103	0.9
75.00875	32.8
76.68876	0.9
79.27069	1.0
83.01368	1.5
85.02955	21.4
86.03284	1.0
87.00886	8.2
89.02477	4.3
93.03453	1.1
95.01405	4.8
99.00883	12.2
101.02448	2.4
101.06071	1.4
103.00378	2.2
109.02946	1.5
111.00867	2.4
111.04465	1.0
113.02448	25.4
115.00375	2.1
115.21144	1.1
117.01943	4.0
127.00376	22.1
128.00684	1.4
129.01924	2.2
130.11304	1.0
131.07141	100.0
132.07471	4.0
135.04579	1.1
137.09683	3.0
157.01439	1.3
159.02997	1.9
175.02464	2.4
177.01926	2.4
217.15929	1.0
231.05075	6.1
231.13757	1.0
245.19032	1.2
249.06161	48.8
249.13406	2.5
250.06490	3.3
257.18982	1.1
267.07260	1.2
273.18439	1.4
321.11951	1.4
321.16208	0.9
335.18808	0.9
337.16342	1.9
337.20203	27.3
338.20532	4.2
363.12784	2.0
381.13974	60.4
381.19122	82.0
382.14243	6.2
382.19498	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	380.1561
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
58.00568	0.7
59.01088	1.0
59.01382	18.7
62.81750	0.7
70.07784	3.1
71.01385	34.3
71.05025	5.9
72.01708	0.8
73.02946	1.2
74.88128	0.5
78.56532	0.6
83.01404	1.6
85.02952	2.6
87.65144	0.6
88.04034	4.3
89.02443	8.0
95.01379	0.8
99.04519	2.5
101.02450	6.9
113.02451	3.7
116.07182	1.3
119.03490	2.6
128.07178	2.6
146.08232	60.7
147.08556	2.2
151.22546	0.6
161.04550	1.5
164.69666	0.7
200.09346	1.1
263.11151	1.1
308.13510	6.3
362.14526	1.8
380.15601	100.0
381.15985	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	381.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78717	0.1
59.01381	7.4
60.29311	0.1
61.98827	0.3
71.01380	1.0
72.99302	0.4
73.02958	0.4
75.00867	0.2
83.01363	0.3
85.02966	0.4
87.04456	0.1
93.03453	1.2
95.01406	0.3
99.00898	0.5
101.02451	0.5
105.03473	1.3
106.03826	0.2
108.02174	1.7
111.00903	0.2
113.02434	0.3
113.48877	0.2
120.02171	0.6
121.02969	1.7
123.04527	1.5
127.00379	8.3
128.00708	0.3
132.02180	0.5
133.02956	2.5
134.03314	0.2
137.02481	0.3
148.01643	1.0
149.02444	2.2
157.01395	0.5
159.02980	0.4
161.02608	0.2
175.04059	0.3
176.01154	10.6
177.01927	100.0
178.02271	6.8
184.53242	0.2
239.09116	0.2
249.13496	0.7
321.06168	0.9
339.07248	0.5
354.27139	0.2
356.21506	0.2
381.08255	14.1
381.16388	0.5
381.18503	0.4
382.08536	1.6
382.16614	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	379.1915
Annotation	Gancaonin U
Peak:m/z	Relative Intensity
54.24364	0.3
56.07877	0.3
59.01374	0.7
61.03807	0.3
65.18499	0.3
67.02438	0.4
67.93516	0.3
70.96722	0.8
114.30438	0.3
119.36742	0.3
121.06558	0.4
130.24159	0.3
137.02435	1.1
145.06569	2.3
148.01707	0.4
173.06129	1.9
175.04031	0.8
188.04755	2.5
190.02650	0.5
203.03520	2.8
204.04268	2.4
214.02716	0.5
216.04292	0.9
217.05045	29.4
218.05350	1.9
223.65700	0.3
229.05034	5.4
230.05826	2.9
231.03027	1.0
236.03146	0.5
283.61526	0.4
295.09790	1.3
309.11340	0.4
335.19876	0.4
349.14529	1.2
379.19131	100.0
380.19464	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	378.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83300	0.4
56.19158	0.4
59.01375	0.8
61.98833	100.0
65.13975	0.4
66.28725	0.4
96.09636	0.4
96.96047	1.5
97.66499	0.5
98.19736	0.7
99.64648	0.5
132.05775	0.4
213.28049	0.4
256.06842	0.5
378.19022	4.9
379.18747	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18388	0.7
59.01382	100.0
60.01730	0.6
69.47979	5.8
71.01389	3.1
72.99294	0.9
73.02965	2.9
83.01398	1.1
85.02962	1.1
89.02458	1.9
89.54605	0.6
101.02467	3.1
113.02486	1.4
135.04532	11.9
136.04904	1.0
161.04596	1.7
164.07225	0.8
179.03514	1.4
199.09869	1.1
233.61104	0.7
319.13959	0.9
341.08798	1.4
379.04510	1.0
379.16089	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09567	0.5
59.01382	100.0
60.01712	0.8
68.37679	0.5
69.96355	2.1
71.01390	2.4
72.71896	0.5
73.02960	2.7
83.01394	0.5
89.02463	1.1
101.02471	2.9
113.02470	2.0
119.03500	0.6
130.07785	0.5
131.03542	0.7
135.04533	5.1
161.04556	1.0
341.08963	0.7
379.16324	2.2
381.02396	0.6
383.34576	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	378.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06891	0.5
52.28540	0.5
59.01379	1.5
61.98832	100.0
65.19111	0.5
69.88176	2.7
98.19827	0.7
113.02465	0.6
152.75313	0.6
153.05545	0.8
275.79172	0.6
309.93491	0.6
357.11102	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	377.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86381	0.4
54.86307	0.3
56.34124	0.4
57.03454	0.6
58.02977	0.4
59.01386	5.7
61.98836	0.6
63.56703	0.4
68.02538	67.4
69.02080	1.7
69.02877	0.7
71.01376	2.0
71.21093	0.6
71.21409	0.5
72.99313	4.0
73.02950	0.5
81.03470	0.7
83.05020	0.5
84.04548	24.0
85.02942	1.1
85.04865	0.4
86.02478	8.9
86.78067	0.4
89.02453	1.7
95.05042	0.7
101.02448	1.3
107.05049	0.8
108.02162	0.4
109.06618	0.4
111.08118	0.4
113.02450	1.1
119.03391	0.5
119.04957	0.4
123.04509	2.4
123.08147	1.8
128.03548	0.5
133.02928	2.7
134.03696	1.6
135.04523	100.0
135.08125	1.3
136.04854	6.1
137.02464	0.9
138.05722	0.4
151.04025	1.3
153.05559	0.5
155.05766	2.9
155.06833	0.6
159.08159	0.6
161.02449	11.6
161.04521	0.6
162.02794	0.9
163.04074	0.6
163.23611	0.3
166.08676	1.2
176.11575	0.4
177.09157	0.9
179.03481	9.6
180.03894	0.7
181.02605	0.4
197.04532	6.7
198.04924	0.3
202.12341	1.3
215.03291	0.5
215.09142	0.5
220.13391	2.7
229.76768	0.4
242.85138	0.4
246.11266	2.0
264.12396	4.5
265.12720	0.6
290.10406	2.0
297.09781	4.0
298.10074	0.4
308.11380	19.5
309.11713	1.9
341.08557	11.5
342.09113	1.4
347.07693	1.5
359.07816	0.9
377.06653	1.2
377.14523	12.8
378.14795	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	377.1426
Annotation	Go 6976
Peak:m/z	Relative Intensity
59.01372	2.1
61.98825	3.3
69.71541	5.9
78.10585	0.9
96.96033	1.9
98.20592	1.6
99.92590	84.0
100.90416	1.7
100.92624	4.4
100.93282	1.1
115.92081	43.5
116.92861	100.0
117.92916	6.9
131.91524	1.6
188.91336	0.8
215.79941	0.9
277.21667	1.8
308.07141	2.6
313.89264	1.1
359.13126	1.9
373.11127	2.2
377.14291	44.4
378.09927	1.4
378.14459	9.8
391.12180	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	377.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.6
61.98831	0.7
69.65858	3.2
69.66248	1.1
71.01387	2.5
71.54147	0.6
72.99310	21.4
73.02964	0.7
73.56842	0.5
74.89902	0.5
84.39568	0.5
85.02942	0.6
89.02443	0.9
99.94497	0.5
101.02454	0.7
105.03561	0.5
107.05029	0.8
109.02945	1.3
111.34663	0.6
123.04523	10.0
125.09764	0.8
132.02167	0.5
133.02963	17.8
134.03784	3.8
135.04532	73.3
136.04848	3.9
137.02458	4.9
147.67270	0.5
151.03998	1.7
152.04308	0.9
153.09193	2.2
161.02449	100.0
162.02763	6.2
179.03506	21.8
180.03755	1.4
197.04553	32.4
198.04868	2.3
215.09253	6.0
216.09509	0.6
223.02260	0.7
257.10318	1.0
317.12436	1.6
359.07718	8.5
360.08127	0.8
376.97424	1.9
377.08783	0.9
377.13950	1.0
377.17950	2.0
377.21985	1.8
377.97424	0.5
401.93307	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	377.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01379	6.2
64.82224	0.5
68.80629	0.4
69.02055	0.6
69.41139	0.4
71.01370	1.3
71.64742	0.5
72.99310	17.8
73.02953	0.9
74.60863	0.5
89.02430	1.0
101.02445	0.8
107.05057	0.5
109.02943	1.4
113.02431	1.3
115.81336	0.4
117.07498	0.4
123.04531	7.7
124.04813	0.5
132.02206	0.8
133.02954	19.9
134.03627	1.0
135.04526	32.4
136.03200	0.4
136.04851	2.0
137.02441	7.8
151.04018	1.0
153.09195	0.8
155.07152	0.5
161.02443	100.0
162.02769	6.8
179.03493	14.4
180.03790	1.2
197.04549	24.9
198.04897	1.5
215.09247	1.4
353.25302	0.5
359.07748	7.2
360.08179	1.3
377.09152	0.5
377.14447	1.1
377.21829	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	376.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46941	0.3
61.98831	46.5
71.08765	0.3
85.18642	0.3
95.29614	0.3
105.03432	0.4
109.02950	0.8
123.04549	2.2
132.02194	1.0
133.02963	20.1
134.03310	1.1
150.03256	0.8
151.04027	5.2
152.04338	0.4
159.04552	0.5
161.02452	100.0
162.02780	6.2
203.03410	0.3
241.61035	0.4
250.60519	0.3
269.08163	1.4
313.07169	16.9
314.07507	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	376.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78836	0.8
56.67070	0.8
59.69422	0.8
60.92165	0.7
61.61921	0.8
61.98829	77.6
80.88568	0.8
98.19799	1.2
123.04510	3.1
132.02150	1.1
133.02956	19.6
134.03281	1.0
150.03201	1.5
151.04053	5.4
159.96211	0.9
161.02444	100.0
162.02795	6.9
165.69572	0.9
166.44249	0.9
171.43488	0.9
299.02460	1.0
313.07175	22.2
314.07404	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
57.03444	1.1
58.00584	2.1
59.01380	48.0
69.46224	3.9
71.01385	23.0
72.99311	2.2
73.02957	1.2
83.01387	1.4
85.02952	5.8
87.00878	1.3
89.02447	18.8
91.08192	0.6
95.01394	2.1
99.00878	0.7
101.01777	0.9
101.02447	14.0
113.02459	9.1
119.02745	0.6
119.03523	6.3
133.02936	0.7
133.67662	0.5
135.04518	5.5
161.02382	1.3
179.03510	2.2
183.13914	0.6
195.13885	10.3
202.06171	0.6
210.81346	0.5
213.14966	3.7
223.44733	0.5
357.19037	0.8
375.20239	100.0
376.20599	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29024	2.3
53.35154	2.7
54.38484	2.7
57.03456	2.3
58.91550	2.5
59.01376	46.2
61.70008	2.4
61.98826	6.1
68.00954	2.2
69.42343	23.0
95.05035	4.0
98.17164	2.7
99.92599	3.1
103.80943	3.5
121.10235	33.6
125.09810	3.0
133.03020	5.1
161.02386	8.8
166.04056	2.9
171.10265	62.3
172.10667	3.0
183.13840	3.6
207.09944	3.5
231.21184	5.9
275.20139	100.0
276.20599	13.2
278.11282	11.7
293.21234	100.0
294.21439	14.7
297.18259	3.0
315.19357	47.7
316.19846	6.3
324.83066	2.5
359.18307	9.8
375.21481	33.4
376.21448	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43766	0.3
62.25966	0.4
69.69768	2.2
74.99067	2.6
80.96519	0.3
93.00124	1.2
98.19957	0.7
149.00958	0.7
159.08473	12.4
160.08688	1.0
161.02505	0.7
161.06390	2.9
162.06659	0.4
166.96970	0.3
192.98116	0.9
194.99504	0.4
197.20381	0.3
203.36552	0.4
203.38599	0.4
209.01323	2.1
210.99159	0.3
217.07205	1.5
225.00749	0.4
256.08951	0.4
275.05978	1.3
277.07516	2.5
289.07382	1.7
290.07529	0.4
291.09091	100.0
292.09213	16.6
309.10110	1.3
310.10034	0.4
357.13632	1.9
359.15338	98.0
360.15497	21.3
375.18469	6.5
376.18683	1.4
377.16281	0.9
378.16104	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61867	0.8
54.16655	0.7
55.38932	1.0
57.92004	0.8
61.98819	1.5
70.85712	2.4
74.99067	2.1
93.00127	1.3
118.96715	0.8
159.08456	10.8
160.08752	1.6
161.02480	1.2
161.06383	2.8
206.20380	0.8
209.01277	1.9
217.07069	1.4
275.06091	1.3
277.07672	0.9
289.07422	1.5
291.09094	99.1
292.09207	16.6
357.13925	1.7
359.15326	100.0
360.15500	20.4
375.18530	6.9
376.18439	1.5
377.16064	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.2
57.03443	4.7
58.00587	3.1
59.01383	71.9
59.74522	1.0
69.03472	1.0
69.67109	8.2
71.01386	56.4
72.01695	1.8
72.99306	3.6
73.02945	12.0
83.01386	11.1
85.02958	19.8
85.19750	1.1
87.00876	4.4
89.02448	41.1
95.01411	3.6
97.06577	1.4
98.20647	2.0
99.00882	4.4
101.02442	44.9
113.02444	18.7
119.03516	18.4
123.04507	4.4
125.02408	1.5
129.01929	1.5
131.03517	2.3
133.02913	1.7
135.04532	9.1
137.02464	1.4
141.01981	1.2
143.03503	4.8
159.03030	1.5
161.04547	6.0
164.66104	1.0
169.12325	2.1
177.01970	1.4
177.09253	8.7
179.05608	6.5
179.24991	1.1
195.02965	1.9
195.10277	1.7
213.11385	1.5
255.08905	9.0
331.17786	1.5
357.15527	28.4
357.19791	1.7
358.15839	3.8
375.16580	100.0
376.16949	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	375.1296
Annotation	Vebraside
Peak:m/z	Relative Intensity
59.01379	46.9
61.98827	4.1
67.05532	8.2
68.45047	1.7
69.03458	5.2
71.01385	21.3
71.61465	2.4
71.61826	2.1
72.99303	27.6
73.02959	3.4
77.10419	1.8
79.94702	1.7
85.02950	6.7
87.00863	2.3
89.02452	11.5
93.03474	10.6
101.02452	10.5
105.07025	2.1
107.08663	16.2
109.02956	4.6
109.06573	2.3
113.02467	5.0
119.03490	3.2
121.06612	2.6
123.04549	15.8
123.08150	18.5
131.08563	3.4
133.02977	15.0
133.06602	17.2
135.04536	15.7
137.02493	2.6
149.06087	12.9
151.04002	45.1
151.07639	40.9
152.04378	2.3
152.08037	1.9
161.02452	25.6
161.04570	2.8
163.07611	3.3
169.08705	100.0
170.09081	6.0
175.07654	5.3
177.01988	3.9
177.05507	3.6
179.03488	7.1
195.06627	37.8
213.07681	89.4
214.08057	6.8
237.07668	3.8
255.08739	15.1
285.09763	9.4
315.10831	41.3
316.11182	4.6
331.13971	15.2
337.05560	3.3
375.12863	45.6
375.20346	2.4
376.13309	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	375.1298
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.60685	1.6
59.01381	70.8
60.55080	2.1
61.98828	6.1
67.05528	4.8
69.03461	4.5
70.08022	7.3
71.01391	23.6
72.99310	25.3
73.02956	5.3
75.00877	4.9
81.03490	1.7
83.01385	2.4
83.05026	2.6
85.02958	7.8
87.00896	6.0
89.02438	10.5
93.03470	9.6
96.96014	2.9
101.02452	12.1
107.08038	1.8
107.08650	12.0
109.02947	9.8
111.00928	2.3
113.02454	6.3
113.06113	1.7
119.03495	3.6
121.02939	3.3
121.06573	3.2
122.03698	2.1
123.04523	35.6
123.08157	10.8
127.87277	1.7
131.08678	2.7
133.02960	28.7
133.06598	8.0
135.04530	27.6
137.02419	5.2
143.03523	1.9
149.06094	17.2
151.04012	100.0
151.07637	24.9
152.04402	4.6
152.08005	2.1
161.02448	71.8
162.02780	4.0
163.07570	2.8
169.08711	70.9
170.09029	5.2
175.07635	3.6
177.01904	7.1
177.05583	3.5
179.03505	22.7
195.06602	26.4
196.07002	2.2
201.71838	1.8
213.04120	5.5
213.07683	72.6
214.08105	4.0
237.04097	2.2
237.07697	2.8
255.08827	9.8
269.08005	1.9
277.03510	2.4
282.09131	1.9
285.09830	7.7
313.07227	5.7
315.10803	29.2
316.11185	2.6
331.13962	10.1
337.05548	5.3
375.12802	24.3
375.16644	4.0
375.20450	4.2
376.13306	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	375.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
69.33501	1.5
69.33911	0.3
70.16794	0.2
78.17130	0.2
79.05522	0.2
91.05537	0.7
93.03446	0.2
97.28551	0.2
106.04294	0.4
107.05041	1.7
108.02169	0.2
109.02962	1.3
110.50486	0.2
117.03466	0.6
121.02929	0.3
133.02969	2.3
134.02689	0.3
134.03743	8.4
135.04523	100.0
136.04845	5.2
137.02478	0.4
142.01509	0.2
148.01630	2.1
150.03181	1.4
161.02441	3.7
165.01915	0.8
165.05557	2.4
174.03206	0.5
179.03490	55.7
180.03830	3.4
195.06544	0.2
233.04536	3.8
234.04822	0.2
268.07419	0.2
276.28268	0.2
285.04086	0.2
343.08212	0.5
375.06027	0.3
375.10858	4.9
375.19904	0.2
375.27383	1.2
376.11172	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	375.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85216	0.9
57.53212	0.8
59.01094	1.1
59.01384	16.5
61.98842	1.2
67.05530	3.6
69.03444	2.8
71.01382	7.4
72.99305	13.5
73.02935	2.7
77.36147	0.9
83.01355	1.1
85.02953	2.5
89.02453	4.2
91.15160	1.0
93.03474	7.1
95.01335	1.1
95.05013	1.7
97.02921	1.5
98.19849	2.7
99.00868	0.8
101.02450	3.2
105.03433	1.1
105.51302	0.7
107.08678	4.8
108.02136	1.3
109.02965	7.3
113.02414	2.1
119.03500	1.0
121.02971	1.9
121.06563	2.8
122.03709	2.5
123.04530	31.2
123.08166	7.7
124.04839	1.9
128.29770	0.8
133.02965	19.8
133.06601	8.1
135.04526	15.3
137.02422	3.2
149.02415	1.7
149.06033	6.6
150.03185	1.4
151.04007	100.0
151.07637	15.9
152.04369	4.2
159.04494	1.5
161.02443	67.1
162.02824	4.2
163.07620	1.9
169.08705	48.5
169.23962	1.0
170.09007	3.0
175.07631	2.0
177.01938	1.5
177.05559	3.6
179.03484	17.8
180.03844	1.5
195.04984	0.7
195.06616	16.7
213.04025	5.0
213.07677	51.9
214.08049	3.7
214.69594	0.9
219.06592	1.5
221.04578	1.2
229.08882	1.3
237.07655	1.2
255.08705	7.6
263.13858	1.1
267.08615	1.0
274.85971	1.0
285.09833	5.1
313.07117	3.9
315.10849	21.7
316.11047	2.3
375.07736	1.8
375.12808	9.6
375.16672	2.4
376.13071	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	375.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93941	0.5
59.01381	5.5
69.61340	3.3
71.01379	1.6
72.99300	1.1
73.02947	0.5
79.17043	0.4
80.69982	0.5
81.03456	0.9
89.02473	0.5
93.03426	0.6
95.05045	0.6
98.33310	0.4
101.02434	1.0
103.00333	0.7
105.03455	1.9
108.02138	1.0
109.02954	4.5
111.00879	0.6
113.02489	0.5
116.61172	0.6
119.03543	0.5
121.02968	0.9
122.03748	3.0
123.04525	33.7
124.04870	1.1
132.02182	1.1
133.02951	14.8
134.03574	0.5
135.04532	14.5
137.02426	3.2
149.02371	1.2
149.06065	1.5
150.03242	0.9
151.04007	100.0
152.04381	4.8
161.02444	52.0
162.02774	3.2
177.05574	2.3
179.03500	18.1
180.03877	0.9
184.44580	0.5
203.03543	0.8
213.04092	4.4
221.04515	0.9
308.81476	0.5
313.07236	3.6
314.07568	0.6
375.07159	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	374.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21515	0.2
51.10416	0.2
59.01381	2.8
70.86330	0.6
72.90772	0.2
100.46159	0.2
101.06093	1.0
122.95154	0.2
124.07652	0.5
125.41817	0.2
165.10361	0.3
189.10345	0.5
203.82948	0.2
210.83212	0.2
222.55162	0.2
232.10898	10.3
233.11256	0.9
258.04239	0.2
272.17764	0.4
273.16031	0.3
276.10080	0.3
289.17914	1.7
290.18735	2.7
316.16574	1.9
318.18259	0.3
358.21359	0.8
374.24466	100.0
375.24786	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	374.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03167	0.3
59.01382	66.8
60.01715	1.2
61.98829	2.0
62.77339	0.3
71.61233	0.4
73.81094	0.3
90.97146	1.2
114.98882	1.2
118.96644	0.5
129.74423	0.3
132.98198	2.6
156.63011	0.3
156.99902	2.5
160.97723	0.3
171.97406	0.6
172.97523	0.5
174.99245	23.8
175.99547	0.8
201.02545	2.8
202.02711	0.5
204.92970	0.3
217.00298	100.0
218.00624	4.2
218.98271	0.6
230.55951	0.3
231.99457	0.5
254.66513	0.3
271.42001	0.3
290.97095	0.4
314.98712	1.4
332.98294	0.5
367.31885	0.3
374.99216	5.4
375.99744	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	374.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.3
61.98834	10.1
65.64542	2.3
66.03496	6.1
70.82398	7.5
82.02989	10.5
94.02991	2.7
106.90185	2.1
110.02481	48.3
111.02012	16.6
122.02478	4.0
124.04057	2.9
130.08743	72.0
140.03549	6.7
152.03522	10.2
153.03104	5.3
165.92802	2.9
174.99268	8.3
175.36823	2.6
180.46387	2.2
192.37769	2.4
200.05675	24.7
217.00314	34.1
243.06210	100.0
244.06532	7.6
290.02435	2.3
374.99561	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	374.132
Annotation	ZM323881
Peak:m/z	Relative Intensity
54.18029	2.2
60.41122	2.1
61.98835	4.4
74.67364	2.1
78.95895	2.5
80.96521	3.8
81.13275	2.2
99.92590	88.2
100.92589	5.1
110.78642	2.3
114.10653	3.1
114.53542	2.3
115.92085	16.3
116.92179	2.8
116.92871	16.7
118.89975	62.2
119.89971	2.7
134.89481	9.5
135.89400	3.1
135.90266	30.2
141.93616	2.7
150.89003	4.4
186.89864	2.5
291.98785	2.2
338.15652	20.1
339.15823	4.1
374.08313	4.8
374.13184	100.0
375.13339	18.8
375.25699	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	373.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72265	0.7
55.01878	10.1
57.03452	7.0
58.00594	3.0
59.01382	60.4
60.01742	0.9
60.82503	0.9
65.63398	0.7
66.99218	0.8
68.99841	0.9
69.03462	1.6
69.31302	8.0
69.31669	1.2
71.01384	100.0
72.01730	2.5
72.99322	4.4
73.02947	36.6
74.03269	1.1
75.00872	2.0
83.01385	19.1
85.02954	51.0
86.00083	2.2
86.03281	1.2
87.00874	5.3
89.02447	22.6
95.01397	6.6
95.81084	0.7
97.02956	2.5
99.00887	14.8
101.02445	89.8
102.02781	2.4
109.02976	0.8
111.00873	2.1
111.26992	0.9
113.02451	45.2
114.02786	1.3
119.03506	6.5
122.06118	1.1
123.00946	0.9
125.02430	3.2
125.36379	0.7
129.01956	1.2
130.24016	0.7
132.04568	2.4
135.04530	3.1
135.98320	1.0
137.02470	0.9
143.03485	4.5
149.02539	1.1
152.07193	3.4
159.02994	10.8
161.04561	46.5
162.04913	2.0
179.03386	0.9
181.37271	0.9
205.03549	1.6
248.77605	0.7
325.57498	0.7
341.11411	2.8
373.17844	1.6
373.22311	28.5
374.22757	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	373.2231
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
54.72265	0.7
55.01878	10.1
57.03452	7.0
58.00594	3.0
59.01382	60.4
60.01742	0.9
60.82503	0.9
65.63398	0.7
66.99218	0.8
68.99841	0.9
69.03462	1.6
69.31302	8.0
69.31669	1.2
71.01384	100.0
72.01730	2.5
72.99322	4.4
73.02947	36.6
74.03269	1.1
75.00872	2.0
83.01385	19.1
85.02954	51.0
86.00083	2.2
86.03281	1.2
87.00874	5.3
89.02447	22.6
95.01397	6.6
95.81084	0.7
97.02956	2.5
99.00887	14.8
101.02445	89.8
102.02781	2.4
109.02976	0.8
111.00873	2.1
111.26992	0.9
113.02451	45.2
114.02786	1.3
119.03506	6.5
122.06118	1.1
123.00946	0.9
125.02430	3.2
125.36379	0.7
129.01956	1.2
130.24016	0.7
132.04568	2.4
135.04530	3.1
135.98320	1.0
137.02470	0.9
143.03485	4.5
149.02539	1.1
152.07193	3.4
159.02994	10.8
161.04561	46.5
162.04913	2.0
179.03386	0.9
181.37271	0.9
205.03549	1.6
248.77605	0.7
325.57498	0.7
341.11411	2.8
373.17844	1.6
373.22311	28.5
374.22757	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01380	100.0
59.92619	0.5
60.01713	1.6
64.69784	0.5
69.41238	4.2
69.41595	0.5
71.01382	4.8
73.02939	1.0
83.01402	0.7
83.82346	0.5
85.02962	2.0
89.02448	2.3
98.19837	0.9
101.02442	3.0
113.02445	2.6
115.77763	0.5
119.03510	0.7
121.60390	0.5
148.63358	0.5
161.04584	2.0
167.77226	0.5
331.17734	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	373.1866
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
55.01868	2.1
56.97327	0.5
57.03446	1.9
58.00585	1.3
59.01379	37.7
60.01705	0.8
71.01384	24.8
72.01739	0.4
72.99316	1.1
73.02945	4.7
75.65790	0.4
79.71965	0.4
83.01393	3.4
85.02953	8.8
86.03328	0.6
87.00880	0.8
89.02447	17.0
95.01399	2.0
97.06584	1.6
98.19723	0.9
99.00886	2.6
101.02444	21.0
111.55669	0.5
113.02446	8.9
119.03494	6.7
123.72438	0.5
125.02428	0.6
143.03490	1.4
147.11768	0.9
149.04591	0.6
150.20076	0.4
156.27370	0.5
159.02928	0.7
161.04555	4.0
165.12834	0.8
167.14412	1.7
170.50053	0.6
171.35701	0.5
193.12312	14.4
194.12646	1.2
211.13368	23.2
212.13680	2.3
373.18640	100.0
374.19012	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87972	0.3
59.01381	100.0
60.01722	1.2
60.50220	0.3
60.51343	0.3
69.61531	0.3
70.64452	0.3
71.01385	4.2
72.99310	1.0
73.02966	0.7
77.56416	0.3
85.02970	1.3
89.02435	2.6
95.01408	0.4
99.00903	0.4
101.02441	2.5
107.39277	0.3
109.02981	0.6
109.86758	0.3
113.02482	1.3
119.03542	1.0
135.04562	1.9
161.02489	0.9
161.04590	1.0
171.40785	0.3
222.53819	0.4
240.04616	0.4
240.07567	0.4
251.45038	0.3
309.03943	0.4
313.10867	0.4
330.35236	0.4
331.17697	0.4
341.06784	0.6
341.11316	0.5
373.18359	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	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60722	0.6
59.01382	100.0
59.12879	0.6
60.01725	1.8
71.01389	7.1
72.99315	2.6
73.02951	3.5
83.01385	1.2
85.02958	1.7
89.02448	3.4
99.00891	1.1
101.02454	4.3
109.02971	1.0
113.02477	3.2
114.19061	0.7
119.03488	1.2
121.02970	2.1
122.06160	1.9
123.00890	0.9
123.04554	1.3
132.04535	3.5
133.02965	1.3
135.04523	7.8
135.98354	1.2
137.02484	1.2
149.02451	2.0
152.07199	3.3
161.02463	1.2
161.04630	1.5
167.03468	1.2
179.03537	3.1
193.01514	2.0
197.04555	2.7
261.36453	0.6
297.12314	1.0
313.23160	0.8
341.11453	4.6
354.37378	0.6
373.13852	1.6
373.18729	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	373.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03469	0.6
58.00594	1.9
59.01383	78.9
60.01715	1.7
61.98833	1.3
69.83932	3.3
69.84340	1.2
71.01388	23.0
72.97533	1.0
72.99316	3.1
73.02938	2.0
73.04044	1.0
74.02462	1.9
75.00878	2.0
77.16661	0.7
80.96558	1.0
83.01387	2.3
85.02958	7.0
87.00900	1.9
89.02451	21.4
93.03461	14.1
95.01402	2.2
95.05007	2.2
101.02448	16.4
101.03079	1.3
106.06641	0.7
107.05029	1.2
109.02962	5.4
113.02447	8.2
119.03503	7.1
122.02529	1.0
123.04513	1.5
124.07694	1.3
125.02464	2.9
131.03494	0.9
133.02960	1.3
133.06599	1.7
134.97517	0.7
135.04550	2.2
136.03972	0.7
137.02448	44.0
138.02818	1.3
138.05629	0.8
139.07680	1.7
148.04056	0.9
149.06113	1.4
149.09723	64.9
150.05464	0.7
150.10075	4.4
151.04057	1.8
153.01941	3.9
161.02432	2.8
161.04582	3.9
168.06662	2.2
169.01491	1.0
179.03589	1.3
179.05557	1.2
191.03622	0.8
198.39923	0.7
207.03062	0.8
211.04335	1.1
219.02985	1.7
253.09384	1.3
281.06641	1.7
285.07520	1.0
311.05606	1.2
337.05444	1.0
369.06799	0.7
373.11169	19.2
373.15067	100.0
374.11472	3.1
374.15427	12.2
386.11365	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	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.34886	1.0
58.00597	1.3
59.01382	54.8
61.98844	1.0
67.17535	0.8
70.64386	1.4
71.01385	23.7
72.97527	1.4
72.99328	2.7
73.02959	2.3
77.71787	0.8
83.01406	2.2
85.02951	6.9
87.00889	2.5
89.02444	20.3
91.04058	0.8
93.03456	29.5
94.03772	1.2
95.01401	2.7
95.05059	1.4
98.19998	1.2
99.00859	0.9
101.02449	22.2
101.03069	1.6
106.06651	2.5
109.02953	1.5
113.02458	7.7
119.03510	5.9
121.02956	1.8
124.07724	2.0
125.02476	1.8
133.06604	0.9
137.02448	100.0
138.02768	4.4
140.98259	0.8
149.04506	0.9
149.06125	1.6
149.09720	36.6
150.10063	2.5
161.02399	2.1
161.04567	3.5
168.06674	5.9
175.03973	1.4
179.03572	1.1
179.05554	1.0
211.07748	1.5
213.09146	0.9
220.69838	0.9
253.09312	3.6
257.08344	1.0
261.59952	0.9
281.06711	3.5
297.41257	0.9
337.05750	1.3
373.11310	56.3
373.15131	44.2
374.11172	6.7
374.15872	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	373.0928
Annotation	Clinopodic acid B
Peak:m/z	Relative Intensity
54.60921	0.6
59.01380	6.5
68.13955	0.6
69.29066	3.2
69.29494	2.5
71.01367	1.2
72.99310	29.1
101.02442	0.6
107.05038	1.9
109.02950	4.9
110.22544	0.6
122.06113	0.8
123.04525	12.9
124.04922	0.7
132.02180	8.2
133.02957	4.1
134.03763	9.7
134.06125	1.3
135.04532	100.0
136.04877	5.3
137.02483	1.3
145.02936	1.0
146.03604	1.3
149.06075	0.7
150.03276	1.2
160.01663	31.9
161.02458	12.7
162.02805	1.0
175.04007	47.1
176.04320	3.5
178.02681	0.6
179.03503	21.1
180.03839	1.3
189.01855	0.6
190.02660	0.6
193.05005	2.9
197.04552	36.9
198.04924	2.4
203.03474	0.8
204.04317	1.0
205.05064	2.3
206.05371	1.4
207.05684	1.5
211.04012	2.2
211.06145	5.2
212.04596	0.8
217.05060	1.4
225.05598	2.4
227.03494	1.2
228.04196	0.9
235.04091	0.7
237.05482	1.6
239.03520	1.3
240.04286	2.1
241.05014	1.2
243.06685	0.8
253.05038	3.9
254.05771	1.6
255.02879	1.1
264.04279	0.9
267.06479	0.8
270.05408	0.7
281.04572	1.8
282.05209	0.8
285.07645	0.9
286.05096	0.6
295.06250	1.5
296.07101	0.7
298.05051	0.9
299.05695	0.8
309.04056	0.9
313.07138	3.5
313.11993	1.9
329.09402	1.0
341.06631	1.1
373.09277	30.0
373.13327	1.1
373.18509	5.3
374.09671	4.6
374.19183	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	373.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89907	4.3
59.01090	4.1
59.01374	18.9
61.26279	5.4
63.95847	4.4
64.55393	4.9
69.03463	8.5
69.57373	33.5
71.01380	4.9
72.99316	13.0
85.02967	4.7
85.16201	4.2
89.02454	10.1
93.03477	14.9
108.02193	6.0
109.02946	100.0
110.03269	4.5
111.00910	6.5
113.02442	4.9
119.04960	7.4
121.02966	14.1
123.04545	13.6
124.01654	9.3
125.02451	73.8
133.02939	15.9
135.04524	41.9
135.78889	4.8
137.02460	72.1
145.02942	14.9
147.04500	31.0
149.02446	20.9
151.04022	17.8
152.01118	7.4
159.04541	15.7
161.02420	36.1
162.02963	4.9
163.03992	51.0
167.03485	11.0
173.02426	10.7
175.04012	62.5
176.04463	6.0
177.01900	33.1
179.03459	9.4
185.06349	4.8
191.03497	73.6
193.01376	9.5
203.03485	44.2
207.02974	34.8
219.03006	28.6
241.05025	5.4
257.08075	6.0
267.06583	6.2
270.05368	5.8
283.06107	11.9
285.07666	40.0
286.07944	6.7
297.04053	19.1
298.04697	11.2
299.05508	38.5
311.05673	24.6
329.06616	48.3
330.07156	5.0
349.20575	4.6
373.05582	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	372.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34695	2.8
55.26840	2.6
59.01383	26.9
64.01931	4.4
71.01376	5.8
71.21395	5.6
72.99316	60.5
85.02950	3.3
89.02433	5.3
92.05046	11.7
94.02979	5.2
95.01385	3.6
96.04551	6.7
99.06730	2.6
101.02429	5.0
101.71539	2.4
106.02972	4.9
107.46246	2.8
108.04538	10.8
109.02961	9.2
113.02438	4.2
117.12337	2.7
120.04558	15.2
121.02956	6.8
122.02496	59.3
123.04511	5.8
124.04092	3.4
130.08733	3.4
133.02946	14.7
135.04524	68.7
136.04031	58.8
136.04985	6.1
137.02419	4.9
138.05569	7.9
143.11868	3.4
146.02480	7.6
148.04047	59.6
149.06129	4.6
149.09679	12.4
161.01077	4.7
161.02434	92.5
164.03522	6.6
166.05092	100.0
167.05441	6.1
174.01939	8.3
175.02660	6.1
175.04057	4.4
179.03485	55.2
179.04935	5.3
180.03854	4.4
192.03036	31.2
200.14078	3.5
210.04073	64.8
211.04449	3.5
248.56403	3.0
283.04886	26.4
284.05667	40.5
326.13632	5.6
372.07202	4.4
372.14331	6.3
372.21289	4.5
373.15204	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	371.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85749	0.6
55.01877	8.1
57.03453	8.3
58.00594	3.8
59.01381	67.7
60.01714	0.9
64.20050	0.6
69.03464	1.3
70.09913	0.6
70.32767	0.7
70.33102	2.5
71.01382	100.0
72.01719	2.1
72.99308	4.3
73.02945	31.1
75.00878	2.1
79.95728	0.7
82.70238	0.7
83.01387	15.3
84.01733	0.7
85.02953	49.9
86.00101	1.0
86.03284	1.2
87.00866	3.7
89.02442	29.9
95.01390	7.2
97.02945	2.1
99.00877	14.7
101.02440	85.5
102.02778	1.8
103.04002	0.9
108.02180	0.8
109.02949	2.4
111.00873	1.7
113.02454	44.9
114.02778	1.0
115.04003	1.1
116.05075	3.9
116.94204	0.6
119.03504	12.2
121.02950	1.1
123.04618	0.7
125.02435	2.4
129.01898	2.0
131.03513	1.0
133.22531	0.6
134.03751	1.1
135.04512	15.7
136.04861	1.9
137.02515	0.7
137.09760	1.1
138.02034	0.7
143.03497	5.6
146.02557	1.4
147.11729	1.1
149.02420	1.8
149.04662	0.6
149.09708	0.8
150.01938	1.1
159.02995	9.2
159.04341	0.7
160.82591	0.7
161.04553	47.9
162.04887	1.6
165.12932	0.6
179.03479	6.0
179.05690	0.8
205.03413	1.2
205.05144	1.0
209.08095	0.7
209.15480	9.7
210.07722	1.1
223.56744	0.7
243.06544	1.3
261.04102	1.8
267.06555	1.2
271.09796	1.0
294.05496	0.6
295.06137	1.9
295.10907	1.3
296.05859	0.6
297.07602	1.2
339.05106	1.8
371.07565	1.3
371.17108	2.5
371.20782	38.0
372.07928	0.7
372.21136	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	371.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.8
59.01384	100.0
60.01718	1.7
60.44642	1.4
69.51001	11.0
71.01383	26.5
72.99306	9.7
73.02573	2.2
73.02946	17.2
79.94410	1.7
83.01385	6.5
85.02972	7.7
86.00099	1.7
86.43079	1.4
89.02457	11.2
93.03478	1.8
101.02448	22.1
104.07983	1.6
107.05002	1.4
108.02180	2.4
109.02951	9.9
111.00854	1.5
113.02457	14.6
117.03457	1.8
119.03474	4.5
119.04994	1.7
121.02917	3.4
123.00893	1.8
123.04538	3.8
125.02419	1.9
126.00719	1.6
133.02965	2.6
134.03734	2.5
135.04538	17.1
137.02426	6.2
139.04065	1.7
143.03537	2.1
145.02956	3.5
149.09708	5.9
151.04001	5.0
153.01909	6.7
153.02992	1.4
155.03517	1.5
161.02437	5.8
161.04510	3.3
162.03185	1.7
163.04012	48.1
164.04408	2.1
167.03581	2.2
168.27492	1.5
177.01891	1.7
179.03511	5.0
191.47195	1.7
193.01379	2.0
197.04524	3.4
207.02979	4.9
209.00856	1.5
225.04082	10.7
254.05862	2.9
264.31516	1.5
267.06555	7.6
269.04547	3.9
281.04440	2.6
296.03098	1.9
297.04013	2.8
309.04044	2.1
309.43286	1.4
322.59366	1.5
329.10492	3.5
357.09781	16.9
371.07648	20.3
371.11975	2.5
371.16837	2.7
371.25177	1.6
372.07986	3.4
372.12134	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	371.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
58.57424	1.8
59.01383	100.0
68.11871	1.5
69.52595	11.5
71.01385	30.1
72.99310	6.5
73.02948	19.9
83.01384	6.0
84.91721	1.3
85.02952	7.7
89.02457	8.4
95.01384	1.9
101.02444	20.1
109.02964	9.9
111.00865	1.9
113.02450	10.6
119.03496	3.4
119.05042	1.6
121.02985	4.4
123.00909	3.3
123.04518	2.4
130.08661	1.6
133.02991	2.1
135.04526	13.7
137.02466	4.9
145.02969	2.9
149.04547	1.6
149.09750	9.7
151.03989	4.2
152.01228	2.4
153.01955	5.4
161.02429	3.8
161.04541	3.4
163.04027	35.3
164.04318	2.1
167.03487	1.7
171.95850	1.6
177.01929	2.6
179.02034	1.7
179.03558	3.6
189.63896	1.5
193.05028	1.6
197.04620	3.5
207.02965	4.4
217.05438	1.6
225.04045	9.2
267.06668	2.8
269.04507	2.4
281.04520	3.1
285.03900	2.6
357.09842	13.6
371.07404	11.3
371.11826	1.9
371.17139	2.8
372.08078	3.0
372.12177	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	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03438	1.0
59.01382	10.2
69.38021	3.6
69.38447	1.9
71.01384	12.1
71.05020	0.7
73.02945	3.4
83.01405	1.2
85.02955	4.7
87.00878	1.1
89.02460	2.6
95.01415	1.2
99.00908	0.7
101.02441	7.3
109.02917	1.1
113.02466	4.4
119.03553	0.9
133.02972	2.7
134.03719	0.7
135.04478	3.2
137.02452	0.8
137.09723	2.5
139.11292	2.2
146.03703	1.0
149.02406	0.6
151.98317	0.6
159.03020	1.4
161.02463	2.0
161.04547	4.6
167.10779	100.0
168.11111	6.9
177.01920	1.2
178.02750	0.8
179.03487	2.7
192.36014	0.6
193.05063	7.2
194.05298	0.8
205.05161	0.8
209.15485	4.5
283.13220	1.0
371.16934	1.5
372.17056	0.8
375.82767	0.6
384.58295	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37236	1.1
55.01871	3.5
57.03438	3.3
58.00587	4.3
59.01381	100.0
60.01717	1.7
69.60289	8.3
71.01385	63.9
72.01742	1.6
72.99302	11.3
73.02939	6.0
75.00867	14.7
76.07756	1.2
83.01400	6.0
85.02956	39.3
87.00877	10.1
89.02445	67.6
90.02781	1.8
91.05570	1.7
93.03468	1.9
95.01398	8.3
99.00864	8.8
101.02438	32.0
101.03072	2.0
102.02731	1.3
103.00375	2.8
108.02210	2.0
109.02925	2.0
113.02449	42.4
115.00359	1.8
117.01932	2.4
117.48090	1.4
119.03509	29.3
121.02953	75.0
122.03281	4.6
122.06117	1.8
123.04510	7.2
129.01913	2.2
131.03476	3.9
133.02960	1.5
135.04530	2.6
137.02451	4.6
139.07681	1.3
143.03488	2.9
146.03639	1.2
147.04553	1.4
147.08131	3.1
147.30692	1.3
149.02438	1.2
150.05618	6.2
152.01241	1.4
161.02394	3.1
161.04561	3.1
162.87517	1.2
175.02461	3.3
175.03978	1.1
177.01997	1.3
179.05615	4.4
181.06619	1.2
191.07179	7.9
193.03470	1.2
193.05051	2.2
198.03156	1.3
199.04074	1.5
211.09654	1.2
221.92932	1.2
223.09753	2.6
226.02687	3.4
227.03168	1.5
231.05096	3.4
235.04004	3.8
237.05591	2.3
243.02798	3.0
244.03783	3.8
249.06119	22.2
250.06410	1.9
253.05061	4.8
255.06523	1.9
281.04529	2.5
283.06082	3.2
291.03006	6.3
309.04001	8.9
327.05035	6.7
328.05499	1.9
371.09644	42.5
371.13522	67.8
372.10074	4.5
372.14249	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03437	2.4
58.00599	1.2
59.01089	1.2
59.01381	18.5
61.29987	0.7
67.01875	1.0
68.33369	0.7
68.99823	1.5
69.03452	1.7
70.79367	2.1
71.01385	17.8
72.99317	5.4
73.02958	1.8
75.00880	18.9
75.63158	0.7
81.03447	1.5
83.01406	1.4
85.02954	18.3
87.00879	6.2
89.02437	5.3
93.03423	1.8
95.01385	5.4
99.00887	12.4
103.00356	2.6
104.82370	0.7
109.02996	1.0
113.02452	24.9
115.00401	1.3
117.01939	4.0
121.02958	100.0
122.03288	4.3
129.01961	1.8
144.83946	0.7
175.02423	2.4
180.26497	0.8
189.04086	0.8
231.05135	6.9
249.06151	67.5
250.06584	2.8
323.43088	0.8
353.08722	1.6
371.09833	40.3
372.10110	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01382	35.3
61.77636	0.9
63.33679	0.8
63.98914	0.9
65.00457	0.9
71.01379	3.3
72.99310	1.1
73.02954	5.2
75.00872	1.2
81.03426	1.6
82.97656	0.9
83.01375	1.0
85.02940	4.6
93.03466	2.0
93.37037	0.8
95.01382	1.6
99.04511	2.4
101.02444	2.4
108.02176	100.0
109.02981	31.1
110.03268	2.3
113.02423	2.2
121.02987	6.3
123.00868	1.2
123.04517	1.2
130.08739	1.9
133.02951	2.1
135.04503	2.6
137.02475	4.4
143.03534	1.6
146.03662	2.6
146.46962	0.9
151.03981	2.2
152.01157	61.4
153.01949	20.6
154.02213	1.2
159.04562	5.1
163.03954	1.5
225.05566	1.4
239.07091	3.7
249.06087	3.4
250.06340	2.8
251.07080	3.1
253.04932	5.6
265.05054	1.3
266.05829	2.6
267.06586	23.6
268.07193	5.2
283.06580	1.5
283.09717	16.1
284.09924	1.4
327.05200	2.0
327.08716	13.8
371.09756	64.9
371.13306	3.7
372.10199	10.1
372.21115	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01382	21.0
60.01727	0.3
69.03455	13.7
69.03838	0.7
69.54498	2.1
70.03792	0.6
71.01389	3.6
71.05025	3.4
72.96527	0.3
72.99297	0.4
73.02936	0.7
73.06600	0.6
79.01886	6.1
81.03455	1.2
83.01391	1.6
85.02951	2.6
85.82813	0.3
87.00890	0.3
89.02448	1.2
91.01891	0.4
93.03465	0.7
95.01395	2.8
96.31271	0.3
97.02954	7.5
99.00866	0.3
101.02442	1.3
103.04006	0.4
107.01392	19.2
108.01700	0.9
108.02286	0.4
109.02996	0.7
113.02431	3.6
120.99723	0.4
121.02938	1.5
122.03744	0.3
123.00886	3.4
123.04541	0.4
125.02451	16.7
126.02779	0.4
133.02950	0.8
135.00894	16.1
135.04533	0.6
136.01582	1.2
137.02451	1.1
145.02959	0.3
149.02440	1.0
151.00371	18.7
152.00749	0.7
153.01932	0.9
155.55397	0.3
158.17873	0.3
161.02493	0.5
161.04524	0.6
163.04022	1.3
163.11253	0.9
165.01930	0.9
166.02713	100.0
167.03488	29.6
168.03854	1.6
169.04849	0.3
177.01923	3.5
177.12788	0.4
179.03508	0.4
189.01985	0.4
191.03529	0.7
207.10231	1.9
209.04562	3.3
209.15459	0.3
221.04523	0.7
227.16573	0.7
283.09546	0.4
306.62482	0.3
311.07840	0.4
339.07187	0.9
371.09836	9.4
371.17090	10.3
371.20959	2.5
372.10147	1.2
372.17123	1.5
372.21381	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	371.0982
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01857	2.3
57.03425	3.5
59.01379	29.2
61.98819	1.3
70.28255	2.9
71.01382	20.4
72.99303	6.4
73.02928	3.1
75.00876	20.1
80.10870	0.9
83.01394	1.8
85.02952	22.9
87.00877	6.4
89.02444	12.5
95.01407	4.5
95.22905	0.9
99.00887	9.9
101.02421	5.5
103.00365	3.6
109.02936	1.0
110.14433	0.7
113.02449	33.4
114.02717	1.0
115.00365	1.8
117.01910	2.1
119.03524	4.4
119.04206	0.8
121.02954	100.0
122.03341	4.2
129.01912	1.5
131.03481	1.3
157.01445	1.5
175.02428	3.6
193.03445	1.9
199.37094	1.0
231.05035	3.6
235.04012	1.2
237.29625	0.9
249.06123	25.5
250.06502	1.4
291.02945	2.2
309.03943	1.8
311.07559	1.2
353.08432	2.0
371.09689	60.0
371.13544	7.2
372.10046	7.7
372.14011	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	371.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33848	0.4
58.62882	0.3
59.01381	100.0
60.01717	1.5
62.33165	0.4
70.93773	0.8
71.01393	0.9
82.18785	0.4
89.02473	0.6
99.30283	0.4
101.02454	0.5
108.02201	1.5
109.02968	6.0
110.03274	0.4
113.99397	0.3
123.04536	1.3
133.02989	1.3
134.03745	0.4
145.02937	0.7
146.03734	3.9
147.04565	0.6
158.03773	1.4
159.04526	8.5
160.04837	0.6
161.02452	0.5
175.04031	0.4
197.06088	0.6
209.06183	0.5
211.07735	1.0
221.06084	0.7
222.06882	0.7
225.05560	1.7
234.42519	0.3
237.05659	0.7
238.06403	0.9
239.07059	3.2
240.07974	0.4
241.43314	0.4
249.05692	1.2
250.06320	4.3
251.07133	4.4
252.07509	0.8
253.05046	4.6
253.07138	0.4
254.05763	0.5
265.05228	1.0
266.05872	3.9
267.06613	37.7
268.07178	9.9
269.07748	0.6
281.08066	0.5
283.09756	24.8
284.10101	2.6
308.22601	0.4
327.08728	17.1
328.09088	2.2
371.13675	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	371.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16621	1.3
59.01381	40.7
60.77999	1.4
71.01415	3.0
79.01904	1.4
83.05009	3.2
85.02954	3.3
89.02456	1.6
92.00778	1.6
93.03440	2.4
98.20682	2.7
100.98816	3.0
101.02426	1.5
107.01411	3.9
108.02155	13.1
109.02956	56.0
113.02473	3.3
119.04995	1.5
121.02962	4.5
122.03748	1.4
123.04514	14.1
124.04890	1.4
126.07340	1.4
127.62212	1.4
131.05066	1.6
132.02179	3.9
133.02956	10.8
134.03734	4.8
135.04494	3.3
145.02954	11.4
146.03741	35.2
147.04543	14.8
150.03209	2.1
151.00397	2.5
151.03975	8.4
158.03729	14.7
159.04521	42.9
160.01671	10.3
160.04877	1.9
161.02470	7.2
161.06055	3.7
162.03212	1.5
163.04015	2.5
166.02716	11.8
167.03391	2.2
173.02432	17.0
174.03217	10.7
175.04019	13.3
177.01924	2.9
179.22913	1.3
189.05583	4.0
193.04953	1.7
197.06119	2.7
202.02678	16.3
203.03490	8.6
207.08180	1.5
209.06038	1.5
211.07576	3.4
217.05058	47.5
217.07135	2.9
218.05426	3.9
221.06021	2.2
222.06717	1.9
223.07655	3.1
223.36224	1.4
225.05612	4.6
226.06242	1.9
237.05544	3.2
238.06374	2.9
239.07115	12.8
240.07600	2.3
243.17108	1.5
249.05649	3.9
250.06322	11.4
251.07137	14.0
252.07646	3.2
253.05029	18.5
254.05769	11.1
255.06502	3.4
258.92487	1.5
261.03952	2.5
265.05072	5.6
266.05753	10.2
267.06610	100.0
268.07278	37.4
268.10226	1.9
269.08139	20.3
270.08585	3.3
281.08191	1.8
282.05350	4.7
283.09744	94.3
284.10037	13.0
297.07632	5.8
299.09167	4.6
309.07553	2.0
312.06616	2.3
325.07404	1.7
327.08737	57.4
328.09055	8.0
371.07690	30.8
371.12747	2.5
371.21707	5.3
372.08060	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	371.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
57.03445	6.9
58.00584	3.2
59.01382	68.2
65.00320	7.6
69.63005	16.0
71.01386	69.3
72.99303	17.5
73.02953	21.7
83.01383	14.1
85.02950	31.9
87.00856	3.4
89.02457	19.6
93.03452	5.0
94.79618	2.2
95.01408	7.8
97.02950	2.1
99.00889	7.0
101.02438	47.8
105.03468	2.2
108.02171	4.3
109.02955	68.1
111.73085	1.9
113.02440	28.6
117.03454	3.0
119.03517	5.8
121.02968	8.0
123.00869	2.3
123.04523	5.3
124.01662	3.1
125.02457	2.9
129.01973	2.1
129.09250	2.1
132.02138	3.6
133.02982	19.4
134.03741	8.5
135.04529	27.3
137.02460	8.4
139.04022	18.4
145.02940	38.2
146.03748	42.0
147.04559	13.5
147.11790	2.5
148.01656	3.2
149.02446	73.0
149.06075	3.9
150.02846	3.7
151.04002	3.5
158.03683	2.4
159.03030	3.8
159.04500	6.4
161.01041	3.9
161.02443	30.7
161.04539	26.4
163.04002	9.8
165.01915	8.4
166.02512	2.3
173.02443	15.6
174.03201	4.8
175.03897	3.6
177.01915	9.2
177.05544	4.0
178.02652	4.0
179.03531	22.3
180.04292	14.2
181.05032	23.4
182.05460	2.6
187.04019	3.1
188.04776	2.7
189.01942	3.3
190.02721	23.2
191.03310	3.1
202.02742	27.4
203.03371	4.4
204.04233	6.2
205.05045	100.0
206.05360	6.6
209.06381	2.4
209.08221	5.2
209.15549	5.0
211.04089	2.6
211.13402	3.5
217.05070	24.3
218.02242	4.9
218.05380	2.8
229.01395	9.1
233.04482	11.8
239.07056	2.8
244.01575	2.4
249.05402	3.2
261.04016	86.3
262.04358	9.8
267.06564	11.4
268.06985	3.1
274.34735	2.3
277.05020	2.6
285.08099	2.3
291.48126	2.5
295.06067	10.3
327.08719	54.7
328.08948	6.6
339.05124	4.3
352.16428	2.2
356.09186	11.9
371.07617	41.0
371.11588	15.9
371.16470	5.2
371.20746	15.6
371.24542	4.1
372.07922	9.3
372.12006	3.5
372.21143	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	371.0771
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01377	1.6
60.90818	0.2
61.98841	0.3
87.00884	0.7
93.03414	0.3
104.89722	0.2
121.02956	100.0
122.03288	4.6
135.04515	0.3
149.02480	0.7
150.03223	0.3
151.04076	0.3
161.02467	0.3
173.06091	0.2
179.03497	10.2
180.03865	0.5
181.06580	0.5
187.07584	0.5
211.07652	0.3
214.06386	0.4
215.07185	0.2
225.05623	0.5
229.08606	0.3
239.07068	0.3
257.29272	0.2
271.78461	0.2
274.08484	0.3
275.57138	0.2
371.07693	11.6
372.08154	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	371.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
65.00333	0.5
65.32800	0.3
67.48302	0.3
69.89177	1.1
69.89576	0.6
71.01381	2.6
72.99290	0.6
73.02942	1.1
83.01398	0.7
85.02962	0.8
87.00884	0.6
89.02463	1.5
93.03451	0.5
98.20487	0.5
101.02444	2.8
108.02182	0.9
109.02955	16.6
110.03307	0.8
113.02464	1.0
117.03459	2.3
119.03517	0.7
121.02936	1.5
123.04569	0.4
129.03455	0.5
131.04926	0.4
133.02937	1.1
134.03708	1.1
135.04559	1.0
143.03456	0.4
143.04996	0.5
145.02954	33.7
146.03749	30.1
147.04567	3.9
149.02460	0.6
157.02957	1.6
158.03720	1.6
159.04529	4.3
161.02455	4.7
161.04538	0.6
161.06059	0.6
162.02953	0.6
163.03998	3.8
165.12904	0.8
173.00920	0.6
173.02437	12.2
174.03117	1.9
175.03989	1.8
177.05579	3.4
178.05876	0.4
179.03546	0.7
180.62967	0.3
186.03215	0.4
187.04033	2.1
188.04823	1.6
189.01901	1.2
190.02715	17.1
191.03304	1.7
193.06532	0.4
202.02718	0.8
203.03505	2.2
204.04274	4.8
205.05046	100.0
206.05380	7.8
207.13951	0.4
209.15457	0.4
211.07703	0.8
217.05037	15.0
218.05473	1.1
221.06065	1.0
224.04781	0.5
225.05571	0.6
227.16553	0.5
229.01393	6.1
230.01723	0.5
239.07170	0.9
248.04836	0.7
249.05544	2.9
250.06319	1.4
251.07004	0.6
253.05128	0.6
254.05907	0.4
261.03900	1.7
265.04941	0.9
266.05850	1.0
267.06622	6.9
268.07156	1.6
277.04987	3.9
278.05713	1.3
293.04593	0.9
294.05237	0.8
295.06091	7.3
295.09387	0.4
296.06448	1.2
309.07620	0.6
327.08716	21.5
328.09067	3.1
339.05103	4.7
340.05432	0.4
371.07657	3.0
371.20700	1.0
372.08023	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	371.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.8
71.01388	1.5
73.02952	0.4
83.01418	0.6
85.02940	0.6
87.00873	0.6
89.02462	1.0
93.03481	0.6
96.49374	0.5
101.02443	1.5
108.02174	0.8
109.02956	19.6
110.03300	1.1
113.02459	1.0
117.03501	1.9
121.02967	1.6
123.04530	0.8
130.04256	0.6
131.05054	0.7
133.02971	1.3
134.03705	0.9
135.04510	0.9
137.02481	1.2
139.04073	0.4
143.05028	0.8
145.02956	38.0
146.03754	32.5
146.04678	0.3
147.04556	3.8
149.02415	1.0
157.02968	1.6
158.03673	1.9
159.04515	4.0
161.02466	5.1
161.04549	0.5
161.06104	0.5
162.03082	0.6
163.03995	3.8
165.12837	0.7
172.56453	0.5
173.02441	14.3
174.02957	1.5
175.03992	1.6
177.05519	3.1
179.03523	0.9
187.03998	2.7
188.04750	1.2
189.01961	1.7
190.02713	16.7
191.03178	1.4
197.06143	0.6
202.02551	1.0
203.03535	2.3
204.04253	6.0
205.05052	100.0
206.05394	8.3
206.07138	0.8
209.05966	0.5
217.05043	14.7
218.05426	1.5
219.06625	0.5
221.06070	0.5
222.06696	0.4
225.05611	0.4
229.01431	5.8
230.01849	1.0
237.05344	0.6
239.07159	1.4
248.04893	0.5
249.05515	2.3
250.06299	1.2
253.05109	0.6
261.04102	2.1
265.05139	0.7
266.05917	1.2
267.06619	7.3
268.07150	1.4
277.05072	4.0
278.05801	0.9
293.04657	0.8
294.05252	0.7
295.06107	8.4
296.06638	1.0
309.07669	0.7
327.08740	23.1
328.09055	3.1
339.05121	5.1
340.05475	0.7
371.07773	3.3
371.20862	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	371.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03442	2.1
59.01382	100.0
70.28299	3.5
71.01385	13.2
72.99306	5.3
73.02959	1.8
75.00883	11.8
76.45877	1.4
81.03472	4.4
83.01400	5.3
83.05034	2.3
85.02942	14.1
87.00890	5.6
87.81257	1.3
89.02457	5.3
93.03469	4.2
95.01389	6.3
99.00878	9.0
99.01400	1.1
99.04555	2.6
101.02435	1.8
103.00398	3.0
108.02171	11.0
109.02976	6.9
109.06619	2.7
111.30684	1.2
113.02442	16.9
115.00391	1.9
117.01999	2.4
121.02963	63.0
122.03314	3.7
123.04533	14.3
125.02460	3.1
127.48326	1.2
129.01924	1.8
135.04524	3.6
137.02414	3.5
143.04944	1.3
145.02939	1.6
146.03685	1.9
147.04512	1.6
149.02496	2.1
152.01161	6.2
153.01920	4.6
159.04477	5.8
161.02464	3.7
167.03503	41.3
168.03879	2.1
171.04507	4.1
175.02554	1.8
179.03526	1.5
187.03967	3.2
189.04086	1.5
195.04526	1.3
195.10211	5.8
197.02545	1.8
197.06108	2.5
198.03259	3.8
199.04066	5.7
209.06068	5.2
211.04034	2.9
211.07542	1.4
212.04655	2.1
213.05406	1.9
213.07343	1.4
215.03442	3.8
223.04024	2.0
224.04842	2.4
224.39108	1.2
225.01945	2.0
225.05614	6.5
226.02654	3.9
227.03421	4.0
228.03903	1.6
231.05125	3.3
235.03937	2.2
237.05656	3.4
238.06311	1.7
239.07140	2.3
239.09262	14.5
240.04330	2.0
240.09641	1.5
241.05125	1.9
243.02972	50.2
244.03737	85.1
245.04192	7.1
249.06136	44.3
250.06398	5.5
251.03606	1.9
251.06728	1.3
253.05035	10.3
254.05605	1.3
255.03154	1.3
255.06569	2.1
265.05084	6.4
266.05777	1.7
267.06616	12.9
268.07260	4.3
269.04437	1.4
270.05334	3.7
271.06189	3.0
280.03754	2.7
281.04504	10.3
283.06183	4.5
283.09769	12.4
284.10193	2.0
299.05615	8.3
309.04047	6.7
327.05130	81.1
327.08667	6.1
328.05457	13.1
328.09042	2.1
353.08710	1.6
370.23514	2.2
371.04706	2.4
371.09735	37.3
371.13406	3.0
371.23502	1.7
372.10178	4.4
391.30746	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	371.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03439	1.7
58.00601	2.2
59.01381	48.8
61.83731	1.4
61.98811	1.9
71.01377	24.2
71.65805	1.4
72.99302	6.5
73.02943	2.4
81.80945	1.5
82.03011	1.4
83.01394	7.3
85.02963	17.6
87.00887	4.3
89.02445	28.7
93.03466	3.0
95.01379	2.2
96.96024	1.5
98.02480	1.2
99.00874	3.0
101.02441	15.2
108.04623	1.4
109.02959	4.3
113.02477	9.9
119.03499	10.9
119.04946	1.2
121.02957	5.8
122.02494	2.2
122.06157	1.4
123.04511	7.8
123.99322	1.3
124.77092	1.3
125.02448	2.7
128.03543	1.8
130.08757	2.6
133.02945	5.5
134.03841	1.6
135.04532	8.9
136.04021	3.5
137.02423	6.9
141.93973	1.2
143.05040	3.7
143.11900	3.9
145.02946	1.5
147.04501	2.4
148.03966	2.6
149.02403	2.2
149.06070	1.8
150.05591	9.7
151.04129	1.6
152.01212	1.7
155.04987	1.9
159.04478	5.1
161.02423	11.6
161.04578	2.2
165.05534	1.4
166.02602	1.4
166.05057	4.1
167.03520	6.3
167.04848	1.9
169.06525	1.5
170.03764	1.3
171.04494	8.0
172.05226	3.9
173.05977	1.9
175.03949	2.1
177.01979	1.4
179.03482	8.6
179.05702	2.2
181.06590	2.2
183.04448	3.9
183.07994	1.5
185.06030	2.7
187.04034	1.9
191.03479	2.1
191.07167	7.0
192.03015	1.9
193.04984	2.2
193.06631	2.1
194.05833	4.8
195.04593	2.0
196.05272	6.9
197.06058	7.4
198.03214	38.7
199.03947	16.6
199.07547	2.8
200.04608	3.8
200.13979	1.9
207.04509	1.8
207.33490	1.4
208.05310	1.9
208.07333	1.5
209.04512	1.6
209.06078	14.3
209.08199	11.5
210.04086	2.6
210.06638	3.5
211.03983	11.2
211.07594	5.4
211.09569	1.9
212.04689	4.8
213.05505	3.4
215.03503	4.6
221.06047	3.1
223.09776	1.7
224.04764	5.9
225.05524	10.7
226.02713	100.0
226.06184	2.8
227.03340	17.3
227.07071	7.7
228.04070	4.0
229.05063	3.5
235.04031	7.5
236.04601	3.9
237.05586	22.0
238.06215	2.9
239.03557	9.4
239.07103	5.2
240.04225	9.6
241.05092	10.8
242.05473	2.7
243.03024	12.8
244.03705	6.2
251.03366	3.2
252.04189	2.2
253.05081	13.5
255.06606	14.4
256.06827	1.9
257.04440	1.6
263.03464	2.9
264.04190	3.7
265.05048	14.0
266.05667	3.0
267.02948	4.0
268.03745	1.8
269.04535	1.8
279.02896	1.6
280.03760	2.6
281.04474	12.6
283.06146	16.3
284.05988	2.3
291.03088	9.7
298.04950	1.3
299.05655	4.4
309.04050	33.0
310.04263	4.5
326.13608	3.9
327.05090	31.4
328.05344	3.7
371.04138	20.0
371.09518	4.2
371.13660	20.5
372.04047	1.9
372.14084	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	369.1342
Annotation	Fragransol D
Peak:m/z	Relative Intensity
59.01378	4.7
59.54000	0.9
61.04538	0.8
71.01389	1.2
71.63098	1.1
73.02929	1.1
85.02930	1.4
101.02405	1.5
119.28652	1.0
127.00392	1.7
130.08844	0.9
132.02148	3.6
135.04512	2.3
135.08107	1.1
142.19147	1.0
145.02953	1.6
146.03731	3.4
160.01660	13.5
161.02371	2.8
161.05992	1.3
163.03967	1.8
179.07124	8.4
196.05121	1.0
211.07722	1.5
219.08047	1.0
221.06049	1.8
222.06889	5.3
223.07564	1.9
224.08385	1.7
225.05515	3.6
226.06464	1.1
233.06027	1.7
234.06752	1.6
237.05521	1.2
238.06235	2.7
239.07141	2.1
240.07965	11.7
243.06616	5.6
244.07376	5.3
249.05463	1.6
250.06313	3.3
251.07034	3.7
252.07803	3.0
255.10223	4.6
262.06265	2.2
263.07117	2.3
265.08557	1.6
267.06622	3.0
267.10251	1.8
268.07388	18.6
269.07901	1.6
278.05872	1.7
279.06552	6.6
280.07349	19.5
281.07898	4.8
283.09766	15.4
284.10107	1.4
290.05774	1.2
291.06802	1.8
293.08121	4.5
294.08826	1.9
295.06125	4.7
296.06891	13.1
297.07224	2.4
306.05466	2.0
307.06000	5.1
308.06931	19.6
309.07605	19.6
310.08197	2.2
311.09161	7.2
321.07553	4.8
322.08411	9.7
323.09232	38.7
324.06302	17.5
324.09912	17.8
325.06750	2.6
325.10452	3.0
337.10706	7.6
338.11566	20.3
339.08719	100.0
339.12341	11.2
340.09055	14.7
340.12781	1.8
353.10269	8.6
354.11084	70.5
355.11392	10.5
369.13425	62.2
369.22925	3.2
370.13757	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	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76989	0.7
56.99872	0.7
57.03438	1.2
59.01384	100.0
71.01392	6.2
71.64256	1.2
72.99318	1.4
73.02948	1.5
83.01374	0.8
85.02952	2.1
87.00910	1.4
89.02467	1.9
95.01453	0.9
96.96040	1.5
101.02451	2.9
113.02447	4.4
119.03496	1.7
122.03722	7.5
127.00385	1.9
130.08739	1.2
131.04990	0.8
133.06616	1.6
137.02438	1.5
141.01974	1.0
147.04529	71.9
148.04852	5.0
161.04735	0.8
161.06067	2.3
161.09688	2.3
161.13377	1.2
165.01915	3.3
167.03574	1.0
186.47678	0.8
187.11272	2.8
189.05588	2.8
203.10942	0.9
205.12384	1.0
219.06549	0.8
223.13416	5.1
227.03503	1.5
267.12531	1.6
302.84995	0.9
369.05978	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	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45789	1.0
59.01382	7.3
63.70701	1.1
69.24893	1.0
71.01376	1.4
78.24327	1.2
89.02435	3.1
91.04016	11.2
91.09480	1.0
93.34268	1.1
98.19918	3.0
135.77390	1.1
171.10268	1.6
179.14375	1.3
195.13870	8.0
196.14175	1.2
223.13422	4.7
235.17560	1.1
256.13251	1.4
265.21649	1.4
275.20074	8.2
276.20462	1.7
285.13901	1.3
293.21234	100.0
294.21619	12.7
367.15631	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	367.2642
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
55.48360	0.4
58.65308	0.3
61.98818	0.4
70.85564	0.4
70.85898	1.0
79.76389	0.4
87.52947	0.4
133.06575	2.1
149.09718	87.5
150.10048	5.8
189.12915	0.6
205.15964	84.7
206.16318	7.6
210.28166	0.5
260.96490	0.4
285.37683	0.4
325.60342	0.4
367.26407	100.0
368.26767	17.4
368.31497	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	367.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.2
57.03446	2.8
58.00587	1.3
59.01380	100.0
60.01703	2.4
61.01809	1.9
61.98815	1.9
66.56496	1.4
69.03447	2.0
69.17854	1.3
69.93169	3.0
69.93579	4.1
70.90311	1.3
71.01385	45.8
72.99294	2.4
73.02947	25.2
75.00864	2.2
83.01381	10.2
85.02956	26.9
87.00880	4.7
87.04520	3.4
89.02455	10.8
95.01392	3.1
97.02947	3.7
98.19956	2.5
99.00890	14.2
101.02444	54.0
102.02813	1.2
109.12011	1.2
113.02453	19.1
115.03988	2.3
117.03442	4.1
119.03505	1.9
119.05036	5.9
123.04469	1.5
125.02446	3.4
129.01927	2.1
131.03439	2.8
134.03758	6.4
135.04550	1.7
143.03474	2.3
145.02957	7.7
145.06300	1.5
159.02974	3.5
161.04539	17.0
163.03986	6.6
186.06845	2.1
193.05121	7.5
205.05133	2.1
235.11868	76.0
236.12184	4.6
238.94760	1.3
257.57648	1.7
265.12854	5.8
279.10968	1.5
323.37540	1.4
346.01843	1.7
367.10773	3.7
367.16068	59.6
368.16351	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	367.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
60.78210	0.6
67.18059	0.5
69.84630	3.1
121.02939	1.3
122.67491	0.6
136.78957	0.6
147.04536	2.2
148.05310	100.0
149.05640	7.2
163.07658	59.9
163.09105	1.1
164.08015	4.6
246.98779	0.5
249.37927	0.7
277.26791	0.6
311.49655	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	367.1034
Annotation	CHEBI:67971
Peak:m/z	Relative Intensity
50.26942	0.9
51.65351	0.7
59.01380	12.1
61.52571	0.9
67.43982	0.7
67.60912	0.8
71.01385	13.3
71.65460	0.9
72.99324	2.5
73.02956	1.5
75.00877	97.2
76.01217	1.8
83.01369	1.4
85.02959	1.6
87.00883	2.9
89.02442	2.7
96.96017	1.8
99.00855	2.0
101.02433	2.0
103.05615	1.0
113.02485	1.3
115.05563	1.0
117.01942	2.3
119.05022	2.8
127.00365	2.3
129.01936	2.4
131.04996	2.2
133.06543	1.7
135.04495	1.5
143.04930	0.7
145.02945	3.2
147.04527	100.0
148.04878	6.6
152.20311	0.8
155.05482	0.8
159.02899	0.9
161.06094	16.5
162.06383	1.4
163.04062	2.3
163.07668	1.6
189.05573	3.1
199.13417	2.6
219.05095	11.8
300.23264	0.8
304.46283	0.9
367.10321	82.3
368.10657	10.2
380.89102	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	367.1034
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
55.01871	0.9
57.03447	1.5
58.00581	0.4
59.01379	13.5
69.22816	0.4
69.82870	1.1
69.83276	1.6
71.01382	16.6
72.99302	0.7
73.02942	6.5
83.01391	2.5
85.02952	9.4
89.02453	2.8
93.03459	0.8
95.01383	3.1
97.02957	0.8
98.19898	0.6
99.00876	1.4
101.02437	5.8
113.02456	10.9
117.03467	25.2
118.03802	0.7
119.05029	28.7
120.05331	1.4
125.02428	0.7
130.04242	0.8
131.05061	1.1
132.05804	0.7
133.06569	2.5
135.04506	0.8
135.08096	0.6
136.05354	1.1
138.06850	1.6
143.03473	0.7
145.02953	100.0
146.03276	6.4
151.07642	1.3
152.08432	9.5
153.09201	7.7
154.09544	0.6
158.03734	0.9
159.04530	4.7
161.04568	1.3
161.06094	4.4
161.09673	0.6
163.04005	29.6
163.26138	0.4
164.04404	1.6
165.09161	0.6
173.06075	0.6
177.05611	0.9
185.06161	0.7
187.04007	22.4
188.04315	2.4
190.10161	0.4
191.05545	1.1
201.05557	0.6
205.05118	2.8
205.12326	8.3
206.12680	0.8
210.44408	0.5
216.70882	0.5
223.13454	0.8
229.05038	1.0
235.06152	0.6
265.07230	1.2
307.08237	2.0
314.66476	0.5
332.40503	0.4
367.10266	1.9
367.17630	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	365.2695
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
59.01372	7.4
59.82429	2.0
70.39249	4.3
70.39643	3.5
76.24767	1.9
79.26704	2.1
85.36920	2.0
96.60551	1.8
99.92546	2.2
118.85553	2.1
146.18083	1.9
149.49937	1.8
165.12804	2.5
199.13374	26.5
200.13751	2.1
347.25842	6.9
365.23401	4.9
365.26981	100.0
366.27313	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	366.096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.1
57.26405	1.6
59.01385	22.2
61.98822	11.1
62.60549	1.8
71.01387	10.3
71.16444	3.0
72.99306	7.5
73.02938	2.9
75.00892	2.0
85.02958	4.7
86.00088	2.5
87.00879	19.8
89.02453	5.5
101.02438	18.0
102.05620	1.8
103.04012	3.0
108.04500	2.3
109.02972	1.9
111.00878	3.4
113.02440	6.5
119.03510	3.3
122.06133	30.5
123.04550	3.0
126.05553	2.7
130.08748	39.4
134.06134	4.7
136.04068	3.5
136.07686	15.5
138.05594	3.7
144.06622	5.9
148.04018	4.0
148.07719	2.8
150.05608	95.6
150.54982	2.0
151.03995	6.7
151.05936	6.5
152.07172	7.4
158.06076	2.2
158.38693	1.9
160.04030	5.3
161.04532	2.4
162.05675	2.5
166.05142	2.4
167.03499	1.9
168.06671	10.9
174.05562	3.5
175.06310	4.2
176.07187	8.9
179.05682	1.8
192.06619	2.8
194.08177	4.1
222.07669	3.5
249.06142	1.9
266.98184	4.6
307.19751	2.3
312.10889	45.0
313.11163	2.8
330.11942	100.0
331.12509	10.6
333.23911	1.8
366.08597	4.9
385.07709	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	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26942	0.9
51.65351	0.7
59.01380	12.1
61.52571	0.9
67.43982	0.7
67.60912	0.8
71.01385	13.3
71.65460	0.9
72.99324	2.5
73.02956	1.5
75.00877	97.2
76.01217	1.8
83.01369	1.4
85.02959	1.6
87.00883	2.9
89.02442	2.7
96.96017	1.8
99.00855	2.0
101.02433	2.0
103.05615	1.0
113.02485	1.3
115.05563	1.0
117.01942	2.3
119.05022	2.8
127.00365	2.3
129.01936	2.4
131.04996	2.2
133.06543	1.7
135.04495	1.5
143.04930	0.7
145.02945	3.2
147.04527	100.0
148.04878	6.6
152.20311	0.8
155.05482	0.8
159.02899	0.9
161.06094	16.5
162.06383	1.4
163.04062	2.3
163.07668	1.6
189.05573	3.1
199.13417	2.6
219.05095	11.8
300.23264	0.8
304.46283	0.9
367.10321	82.3
368.10657	10.2
380.89102	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56595	0.5
52.02013	0.5
55.01881	0.9
57.03443	1.9
58.00592	1.1
59.01380	100.0
60.01724	1.5
63.60596	0.5
67.70854	0.5
71.01385	17.4
71.11211	0.9
72.99321	1.6
73.02944	4.2
75.40874	0.5
81.49040	0.6
83.01391	1.8
84.50085	0.5
85.02956	6.1
87.00860	1.0
89.02448	10.4
95.01414	1.3
95.05032	1.1
97.02970	0.6
97.06564	3.8
99.00876	1.0
99.04519	1.4
101.02448	13.3
109.02925	0.7
113.02440	7.5
119.03513	6.0
123.04451	0.6
133.02950	0.7
135.04544	1.8
148.04099	1.4
159.02954	0.6
159.06639	2.5
159.10275	1.0
161.02489	4.5
161.04529	5.6
165.84132	0.6
179.03467	1.1
179.05602	0.6
185.11861	1.4
203.12862	2.0
253.77499	0.5
305.16000	4.9
323.17111	2.0
347.17212	1.1
365.14587	1.7
365.18219	21.0
366.18704	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
58.21923	1.3
59.01380	100.0
60.01702	1.5
71.01382	18.4
72.99316	3.4
73.02949	3.4
75.29857	1.1
76.41769	1.2
83.01393	2.4
85.02958	6.4
87.00863	2.2
87.04562	1.5
89.02453	15.6
95.01396	1.4
99.00926	1.3
101.02451	15.4
110.02501	1.1
113.02436	7.9
119.03477	5.8
135.04526	3.4
143.83182	1.3
159.03020	1.8
159.10287	4.7
161.02388	2.5
161.04582	5.3
164.84843	1.2
190.72415	1.1
203.12930	1.7
230.20518	1.2
259.13422	2.0
305.16168	5.8
323.28720	1.2
365.18362	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32325	0.7
54.25989	0.7
59.01381	100.0
60.01720	0.8
81.66489	0.6
105.22478	0.6
111.00913	1.7
122.59794	0.6
123.04534	1.3
129.34535	0.8
131.83615	0.6
133.02957	0.8
135.04550	1.8
153.58946	0.6
161.02502	1.9
167.03477	5.2
170.08737	0.7
179.03546	1.1
202.09543	0.7
229.50122	1.0
329.06747	0.7
365.19876	1.1
368.37262	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	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43435	0.5
57.03450	2.0
59.01384	17.7
64.77567	0.6
66.95779	0.5
68.99816	0.8
69.03455	1.1
69.44505	0.5
69.76688	2.8
71.01386	14.2
72.99319	4.4
73.02946	0.7
74.42978	0.6
75.00875	16.8
83.01389	0.6
85.02955	17.4
87.00881	6.1
89.02435	4.3
95.01392	5.0
95.93949	0.6
97.02918	0.8
98.19878	1.1
99.00886	8.5
101.02434	1.3
103.00376	1.9
111.00916	0.8
113.02451	22.1
115.00387	1.8
115.07653	100.0
116.05051	3.4
116.08010	4.3
117.01927	3.5
119.05068	0.7
124.65079	0.5
127.04053	0.8
129.01930	2.0
135.04503	1.9
157.01448	1.3
161.02448	1.2
163.03970	0.7
175.02448	2.6
179.03496	1.0
186.85460	0.6
193.52934	0.5
204.01192	1.0
205.07187	1.2
231.05046	2.4
231.10194	0.6
249.06139	17.9
250.06381	1.1
267.07205	2.5
305.12418	1.0
347.13477	2.5
365.14511	70.2
366.14914	8.7
386.54895	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	365.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48924	2.1
59.01382	59.9
61.98835	10.6
70.50610	6.1
71.01385	21.5
72.99311	5.7
73.02953	8.4
75.00878	6.6
85.02961	8.7
87.00874	4.7
89.02433	15.0
93.03454	2.5
99.00865	2.4
101.02464	8.8
105.38386	1.9
108.02174	29.9
113.02441	9.5
115.04021	3.2
119.03505	6.8
123.04537	20.1
123.08190	2.2
127.00372	4.1
146.54768	2.0
152.01160	31.6
153.05582	14.7
157.01421	7.0
161.04512	4.3
165.01949	4.5
167.03503	100.0
167.07100	3.6
168.03825	5.9
176.10573	1.7
185.08197	7.2
187.68312	1.8
203.03368	1.9
224.76988	2.1
291.10849	5.2
305.12418	4.8
329.08694	10.6
361.96652	2.0
365.04059	2.0
365.10541	3.4
365.14523	6.9
365.18497	2.5
366.14429	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
58.00585	0.6
59.01383	18.9
61.69366	0.7
68.99821	1.2
69.03439	0.7
70.54826	0.6
71.01384	14.2
72.99316	5.5
73.02949	1.7
75.00875	13.9
84.13212	0.7
85.02952	15.8
85.46289	0.6
87.00873	6.9
89.02451	4.2
95.01397	4.3
99.00893	8.3
101.02448	1.5
101.06072	1.3
103.00385	1.6
109.02975	0.9
111.00871	0.8
113.02454	21.8
114.84068	0.6
115.00386	1.7
115.07652	100.0
116.07992	4.2
117.01941	2.5
129.01921	1.1
134.03656	0.6
135.04504	2.5
138.86476	0.6
157.01465	0.8
161.02480	1.5
175.02480	2.6
185.11856	2.1
189.04115	0.6
205.07205	1.6
231.05139	1.5
249.06160	15.5
250.06560	0.8
267.07095	3.0
269.68732	0.7
347.13470	3.2
365.14459	57.2
365.18237	4.9
366.14862	6.4
366.18823	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	364.9636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77730	0.4
59.01379	3.7
61.98831	100.0
63.99263	0.6
71.62011	0.5
75.66293	0.3
76.46295	0.3
79.36386	0.3
80.91699	0.8
90.80791	0.4
121.03014	0.4
123.00877	0.4
133.43080	0.4
135.95657	0.8
164.96385	0.4
177.35318	0.3
178.98602	0.4
180.92557	0.6
180.94151	7.5
180.95688	0.6
203.02261	0.7
203.95915	0.4
203.99939	0.7
206.97417	4.6
219.97714	1.3
220.97757	0.5
220.99731	2.5
221.98193	0.5
222.95204	72.3
223.46063	0.4
223.95238	0.8
223.97095	1.1
243.08632	0.4
329.86041	0.4
364.96530	1.2
370.74557	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
57.03438	1.8
58.00597	1.8
59.01088	1.6
59.01382	32.7
64.51756	0.8
69.03439	1.3
69.61733	3.3
69.62165	2.8
71.01385	23.5
71.05016	21.6
72.99312	3.2
73.02937	2.0
75.00872	6.6
75.40425	0.9
81.28271	0.7
82.02985	1.1
83.01389	1.0
85.02958	11.9
85.06613	1.0
85.65526	0.8
87.00867	3.3
89.02445	15.8
92.66177	0.7
95.01408	3.0
95.05048	1.0
95.81811	0.8
97.02943	0.9
99.00877	5.3
101.02449	9.7
113.02451	19.7
113.06092	11.7
113.54579	0.7
117.01921	1.1
118.03337	0.8
119.03511	5.0
129.01933	0.9
135.04553	1.0
136.04048	1.2
137.09715	1.0
139.11281	16.6
143.03470	0.8
161.49409	0.8
164.03519	1.8
165.09219	4.1
178.85405	0.9
179.05519	1.4
183.10257	100.0
184.10588	5.9
194.04588	0.8
196.06067	1.3
227.84837	1.1
249.06134	9.7
267.07239	17.4
268.07590	1.4
269.45819	0.8
287.10349	3.3
301.27133	0.8
307.06219	1.0
321.15799	1.2
331.09433	1.3
363.12851	16.7
363.16693	16.3
363.23602	4.0
364.13068	2.6
364.17059	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46783	0.4
55.01865	1.2
57.03450	2.0
58.00582	1.1
59.01383	17.2
61.98812	0.4
62.21058	0.3
69.54053	0.3
69.54465	0.4
71.01389	13.1
71.05055	0.3
72.98923	0.8
72.99310	14.8
73.02944	4.1
73.99644	0.4
75.00865	0.5
83.01376	3.3
83.35750	0.4
85.02956	6.5
86.00098	0.7
87.00879	1.4
89.02450	5.3
95.01369	1.1
96.96010	0.8
99.00871	2.4
101.01772	0.6
101.02445	11.6
109.02972	0.5
111.00890	0.7
112.26728	0.4
112.74063	0.4
113.02438	3.4
119.03506	1.7
121.10190	0.7
137.09770	0.6
139.11340	0.6
140.12466	0.3
155.10802	0.5
161.04572	0.8
165.09312	0.4
165.77063	0.4
166.63072	0.4
179.05539	0.6
183.10258	3.8
191.58365	0.4
201.11368	3.2
202.11610	0.6
234.07578	0.4
241.00275	0.8
317.15936	0.7
345.15390	1.6
363.16608	100.0
364.16971	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55354	1.2
55.01876	1.6
58.00597	3.3
59.01381	100.0
70.27890	1.0
70.62447	3.2
71.01383	48.2
72.99309	4.6
83.01389	3.2
83.40447	1.1
85.02944	8.7
87.00887	1.9
89.02447	60.7
90.02778	1.4
93.07120	1.5
95.01405	2.6
101.02441	30.4
102.02766	1.5
113.02452	22.4
119.03517	27.4
119.05014	3.6
119.08606	1.6
120.03833	1.1
121.10214	5.1
131.03502	2.5
137.69974	1.3
138.81975	1.1
143.03523	3.1
149.04533	3.0
161.04503	3.6
163.03984	3.6
165.09233	5.6
173.13911	1.3
173.25645	1.3
179.05615	9.5
183.10265	63.7
184.10638	3.2
201.11261	2.6
218.78883	1.2
261.69275	1.2
278.67590	1.2
363.16595	53.2
364.16891	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	363.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
56.58062	1.2
57.03434	4.4
57.17144	1.4
59.01379	62.3
62.16008	1.5
63.74892	1.2
67.01876	2.2
68.99822	2.7
69.03446	1.9
69.65898	7.8
71.01386	43.4
71.05021	5.1
72.99309	11.4
73.02941	4.8
75.00871	37.3
76.38660	1.5
82.02984	9.6
83.01376	4.4
85.02950	48.5
86.03278	1.4
87.00870	16.7
87.74718	1.3
89.02448	18.3
91.04018	1.6
93.52258	1.3
95.01401	9.7
95.05036	1.8
98.19952	2.6
99.00877	18.7
101.02449	6.6
103.00368	3.4
111.00874	2.4
113.02451	61.5
113.06088	72.8
114.02810	1.3
114.06364	2.9
114.98827	1.3
115.00368	4.1
117.01918	5.5
119.03506	3.6
121.10246	2.2
123.09699	1.7
129.01945	3.7
131.03479	1.9
133.02980	1.5
136.04050	6.6
139.11272	3.0
157.01454	1.7
161.02444	2.1
164.03496	11.2
175.02437	4.2
179.05605	1.6
183.10263	22.1
194.04613	5.3
196.06099	6.1
201.07677	2.0
205.07178	3.7
231.05084	5.3
231.07310	1.7
249.06143	52.9
250.06555	4.1
267.07193	100.0
268.07550	7.2
287.10406	25.4
288.10684	2.8
321.15479	1.9
331.09235	7.2
345.11813	2.0
363.12857	82.4
363.16733	10.6
363.23465	8.8
364.13272	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	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03438	6.5
58.00577	1.8
59.01381	66.7
61.66923	1.6
66.00413	1.6
67.01873	2.7
68.99809	2.6
69.03447	2.5
71.01386	53.8
71.05016	6.4
71.66243	2.0
72.01738	1.5
72.99314	9.3
73.02929	5.3
75.00874	37.2
82.02956	2.8
83.01411	3.9
83.62203	1.9
85.02950	52.3
86.03288	2.9
87.00883	18.4
87.24567	1.4
89.02448	21.3
95.01399	12.5
96.78227	1.4
99.00886	21.5
101.02456	6.0
103.00350	6.2
103.32156	1.5
104.35416	1.4
107.14749	1.4
111.00859	2.2
113.02454	74.2
113.06091	70.9
114.06442	2.1
115.00320	4.8
117.01933	5.9
119.03474	2.5
129.01927	5.1
130.22813	1.7
131.03497	1.7
136.04074	2.9
139.03946	1.5
139.11295	6.7
139.88991	3.4
148.19464	1.7
157.01350	3.0
164.03366	2.0
173.15511	1.6
175.02452	5.5
183.10278	28.0
183.87843	3.1
184.10527	2.5
205.07248	5.2
223.08214	2.8
231.05051	4.9
231.15933	2.6
249.06143	52.4
267.07214	100.0
268.07510	6.6
287.10355	5.9
303.10846	2.5
331.09454	3.1
363.12891	99.2
363.16718	11.8
363.23856	4.2
364.13181	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	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14878	1.5
50.43962	1.8
56.41309	1.7
57.03430	5.4
58.00583	3.4
59.01381	100.0
61.98824	4.3
67.01892	1.9
69.03445	2.6
69.53820	11.4
71.00986	3.2
71.01383	53.1
72.99306	12.6
73.02953	4.4
74.20899	2.1
75.00874	37.7
83.01379	2.3
85.02950	44.5
87.00871	18.7
88.96784	1.7
89.02458	23.5
95.01368	10.0
99.00891	20.1
101.02426	7.7
102.76112	1.7
103.00361	7.7
111.00854	2.4
112.93709	2.4
113.01676	3.7
113.02449	62.1
113.06089	71.1
113.06880	4.1
114.06371	3.4
115.00364	3.7
117.01907	5.9
119.03500	2.1
121.10210	6.3
121.43070	1.8
123.08100	2.4
127.07600	1.9
129.01910	4.2
131.03499	2.5
135.04546	2.5
140.94162	1.8
141.09190	2.0
164.03400	1.8
168.60205	1.8
175.02441	5.5
183.10274	9.2
194.04636	2.5
201.11082	1.8
205.07121	3.9
223.08162	2.4
231.05092	6.0
231.07376	1.9
231.16040	2.1
249.06157	56.3
250.06412	3.5
267.07208	86.2
268.07590	6.2
287.10428	3.1
303.21732	2.2
345.22900	2.5
363.12903	91.1
363.16705	8.8
363.23813	58.6
364.13452	9.6
364.24109	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	362.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53962	0.9
56.98118	1.0
59.01385	6.9
61.98833	100.0
71.01361	2.6
71.34206	2.3
85.02937	1.3
89.02415	1.6
94.07233	1.0
101.02463	2.0
109.02983	1.1
137.01419	1.9
137.02448	35.7
138.02765	1.7
285.68954	1.0
299.07730	3.5
306.81638	1.0
362.14749	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	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41038	1.7
59.01384	100.0
61.74844	2.2
61.98831	25.2
65.87464	1.9
71.01379	18.6
72.49027	2.1
72.99300	4.5
85.02958	2.6
89.02451	14.2
93.03429	2.6
99.92600	2.0
101.02441	7.8
107.56435	2.0
113.02421	5.1
116.28415	2.0
119.03487	8.8
119.05058	2.0
124.00266	2.3
137.02431	5.9
139.00278	2.2
139.07602	2.7
143.03447	2.5
162.83868	5.1
174.06453	1.8
179.05646	3.7
197.04323	2.1
198.04984	2.1
199.48108	2.2
362.10938	3.4
363.12692	2.9
363.16846	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	363.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
57.88963	0.2
59.01387	0.4
65.03959	0.2
65.87669	0.1
69.35256	1.4
74.02457	0.2
79.01874	0.2
81.03455	0.5
83.01396	0.7
92.99837	0.2
93.03465	1.0
94.60940	0.2
95.01390	0.9
96.02175	0.3
99.00889	0.3
107.01355	0.2
108.02171	1.8
108.39641	0.2
109.02957	1.0
110.00111	0.3
117.03505	0.3
119.05028	100.0
120.05363	5.0
120.99313	0.6
123.00937	0.2
123.04529	0.2
124.01659	0.6
136.98724	0.2
137.02438	0.6
139.04021	0.4
140.01154	0.7
141.05539	0.5
145.02983	0.2
151.00365	0.6
152.01181	0.3
153.01962	2.2
166.99860	1.7
167.03493	1.8
168.00648	1.1
168.03798	0.2
172.00171	0.4
178.99821	0.3
181.01450	1.0
183.02982	1.3
185.04541	2.9
208.44070	0.2
211.02475	3.5
215.05656	0.4
220.02312	0.2
229.03642	0.2
299.05566	1.4
331.08221	22.2
332.08539	2.6
345.09531	0.3
363.10806	5.9
363.17508	0.2
363.21680	0.5
364.11166	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	361.9891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.7
60.01725	0.6
61.01824	0.3
61.98832	100.0
62.98523	0.3
66.91921	0.3
69.49568	0.7
69.49985	1.6
114.50361	0.3
121.02939	0.3
139.33638	0.3
147.36647	0.2
159.97252	0.4
174.99223	1.0
175.99605	0.5
177.96761	0.4
178.98508	0.6
198.87724	0.3
201.02510	1.4
203.02296	0.4
203.99980	4.1
204.02789	0.8
206.97432	0.5
211.94218	0.3
217.00302	2.3
218.00647	2.9
219.00748	0.8
219.97752	50.0
220.99680	3.3
319.97778	0.5
361.98419	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	362.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80924	1.2
59.01379	25.9
61.98833	100.0
62.78608	1.2
63.14422	1.2
66.50471	1.2
71.01391	13.5
72.99319	2.2
73.02955	2.0
85.02978	2.4
89.02439	9.6
90.49420	1.4
91.70254	1.3
93.03455	10.8
94.94100	1.2
101.02447	8.9
102.02796	1.6
106.12908	1.3
111.08142	3.3
113.02472	4.7
114.02814	1.6
119.03505	6.6
122.03718	3.5
123.04047	1.9
137.02441	33.1
137.06067	17.2
138.02776	1.9
138.06439	16.4
161.04570	2.1
179.05588	1.7
181.05054	2.3
182.05322	3.1
199.06255	1.7
201.07713	1.7
229.19257	1.7
277.95673	1.5
299.07642	5.7
362.11118	2.7
363.12277	1.6
363.16476	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	361.2384
Annotation	(plusmn)19,20-DiHDPA
Peak:m/z	Relative Intensity
59.01378	2.5
67.01891	0.7
69.03442	1.1
80.02682	0.7
83.01389	6.2
85.02940	3.3
97.02994	0.9
98.05371	0.7
107.05028	1.9
108.02162	1.1
109.02955	1.5
119.00549	0.6
121.02959	2.1
123.00951	0.7
123.08175	0.9
124.01672	6.7
125.02399	0.7
135.08136	1.1
137.02483	0.6
152.90559	0.7
159.04576	0.8
163.07622	3.7
174.06815	3.2
177.05609	1.0
181.57530	0.7
191.07106	1.3
192.07927	2.4
223.09750	1.0
238.99422	0.6
239.09200	1.4
285.22186	2.3
301.16458	1.2
301.21591	1.4
310.24316	0.8
329.21259	1.1
341.69052	0.7
361.23831	100.0
362.24139	16.8
377.75241	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	361.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67217	8.9
52.87458	10.5
53.52089	10.7
55.53595	10.2
59.01380	100.0
63.45930	9.7
71.12350	15.1
81.82309	10.7
99.92505	9.9
118.98267	12.3
158.32608	13.7
191.17421	9.8
296.62112	10.7
361.19995	12.9
363.65558	11.1
377.26926	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	361.1505
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
55.25555	0.9
57.03446	3.0
58.00599	2.5
59.01383	46.4
65.45547	0.9
69.56642	1.5
69.57052	5.3
71.01380	21.3
72.99300	4.6
73.02960	1.5
85.02951	5.2
89.02444	17.9
93.07093	5.4
95.01379	1.5
99.00910	1.1
101.02443	12.2
107.08650	3.6
109.02972	1.8
109.06566	1.3
113.02455	7.5
119.03510	7.7
119.08667	15.1
120.08983	1.1
135.04538	1.2
135.08144	3.1
137.09695	3.2
138.01964	2.5
139.02255	1.2
143.03479	1.1
146.73117	1.0
163.07628	4.6
179.05592	1.0
181.08699	20.4
182.09058	2.2
199.09758	24.3
200.09991	0.9
209.78777	1.0
273.30823	1.1
361.15039	100.0
362.15341	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	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87921	0.7
58.86624	0.6
59.01094	1.0
59.01384	19.0
69.69722	5.1
78.87814	0.8
81.35451	0.8
161.14584	0.7
183.16795	0.7
220.62953	0.8
223.04268	0.7
279.23282	100.0
280.23651	12.6
361.15884	4.2
361.23581	19.8
362.15494	0.9
362.23880	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	361.1503
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
55.01886	0.8
57.03452	0.7
58.00601	1.1
59.01381	38.6
69.59348	3.7
71.01383	18.8
72.98919	0.9
72.99311	12.4
73.02953	1.7
75.08131	0.6
83.01385	2.0
85.02960	4.7
87.00888	0.9
89.02443	12.0
95.01402	1.3
99.00857	1.0
101.02444	11.1
109.02976	1.0
113.02465	6.9
119.03507	3.8
119.05021	1.1
119.08681	3.7
130.34602	0.6
133.06602	1.6
134.47791	0.5
135.08168	2.2
136.75157	0.6
137.09761	1.4
145.02922	1.4
161.02455	0.7
163.07678	5.2
181.08699	12.2
182.09146	1.2
192.43556	0.6
199.09798	2.3
247.40607	0.7
265.07184	0.9
276.94150	0.6
277.20959	0.6
292.17969	0.6
361.15039	100.0
362.15393	10.7
362.95868	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	361.1143
Annotation	Scabroside
Peak:m/z	Relative Intensity
50.00844	3.3
50.18672	3.2
50.83596	2.8
59.01378	71.5
59.28874	3.3
61.98832	50.9
69.34734	3.1
69.91386	17.4
71.01388	23.8
72.99306	4.9
73.02932	3.2
75.00867	3.6
78.95884	4.2
85.02958	10.6
87.00880	3.9
89.02449	11.1
92.00266	3.2
93.03477	3.8
95.01385	4.9
98.20588	5.9
99.00890	3.2
101.02455	17.8
109.02999	3.5
111.00905	4.3
111.08169	4.0
113.02426	13.9
119.03474	3.9
121.02966	5.7
123.00888	100.0
124.01708	26.9
135.04504	8.6
137.02412	7.1
137.05138	5.6
137.06058	22.8
138.03242	77.6
139.04054	22.4
143.03459	4.4
149.02420	3.5
159.02917	3.2
161.04535	26.8
166.02711	4.1
177.51691	3.3
179.03508	3.5
181.05084	13.6
188.93469	3.3
197.04466	3.5
199.06250	18.2
202.98705	3.7
301.09290	33.4
315.01587	3.6
361.10562	12.3
372.19351	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	360.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80093	12.3
69.43498	100.0
69.43913	19.9
98.19774	22.9
128.16360	12.8
138.80785	12.9
139.03635	13.1
159.97261	13.6
161.02475	17.1
162.02841	20.2
195.64703	12.9
360.22406	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	361.1139
Annotation	Procumboside
Peak:m/z	Relative Intensity
55.01870	1.7
58.00583	1.0
58.62314	0.7
59.01093	1.4
59.01382	26.3
61.49920	0.6
61.98832	24.0
62.70151	0.6
65.03157	0.5
70.22962	0.6
71.01387	16.7
71.61426	1.0
72.01720	0.7
72.99319	1.6
73.02939	1.1
74.20940	0.6
74.52937	0.6
83.01389	0.9
85.02953	3.9
87.00862	0.9
88.11058	0.7
89.02443	17.8
90.35144	1.0
93.03456	3.1
95.01375	1.2
101.02452	9.3
111.08152	8.1
113.02460	7.3
119.03490	8.4
119.05057	1.1
121.21056	0.6
122.03745	21.4
125.02435	0.7
135.04567	1.0
137.02480	9.6
137.06082	100.0
138.06438	6.1
139.00348	0.7
139.71039	0.7
143.03479	0.8
149.90166	0.8
154.02693	1.2
155.07143	2.5
158.22177	0.6
161.04559	1.9
163.03940	1.9
179.05588	1.7
181.05061	20.5
181.48656	0.7
182.05399	0.9
199.06194	8.9
199.09772	0.9
215.84889	0.6
258.29053	0.7
299.07867	1.1
361.11044	6.6
362.11584	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	360.102
Annotation	bezafibrate
Peak:m/z	Relative Intensity
57.16918	1.5
59.01384	19.7
61.98820	4.3
66.03477	1.6
71.01383	9.2
72.99310	83.7
73.02953	2.0
73.99643	13.1
74.02473	1.4
74.99735	2.0
75.00889	1.7
81.34858	1.5
85.02955	3.5
85.10667	1.5
87.00893	1.4
89.02462	5.3
93.08755	1.5
95.01394	1.8
97.02956	2.2
101.02456	5.7
109.02950	4.9
110.02507	3.6
110.03310	2.6
111.00889	1.9
113.02428	4.9
123.00864	2.0
123.04524	20.6
124.01626	1.7
124.04854	15.1
135.04535	37.4
136.03998	2.3
136.04880	31.3
136.07683	2.0
137.05144	1.9
137.06047	7.9
138.01915	1.7
139.03992	1.9
143.23123	1.4
147.85922	1.5
160.84216	3.3
162.83882	2.7
176.99632	1.6
179.03510	28.5
180.03864	30.3
182.02191	1.7
183.02733	1.6
197.04544	55.8
198.04892	72.6
199.04915	5.2
249.06154	3.9
267.07053	2.0
360.10165	100.0
361.10550	18.3
361.15152	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	359.1501
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
57.03428	0.6
58.89224	0.4
59.01383	13.0
61.98832	4.3
71.01382	6.9
71.61869	0.9
72.00912	0.8
72.99310	3.9
73.02923	0.7
74.02448	0.7
75.00874	2.9
78.95910	1.3
81.03458	1.0
82.06638	0.6
83.01385	0.5
84.08192	0.7
85.02966	1.3
87.00903	1.1
87.04538	1.4
89.02457	4.0
90.97134	1.6
97.02962	0.9
98.02467	0.5
99.00886	1.1
101.02437	3.4
110.98543	0.9
111.37008	0.5
113.02499	2.2
116.03537	0.5
119.03486	1.4
121.03008	0.7
123.00880	1.3
123.04531	1.2
127.96671	0.5
128.07193	1.2
130.08742	100.0
131.09093	3.5
134.04723	4.3
135.04535	4.5
138.03212	1.0
143.03502	4.1
145.05031	0.6
153.01973	0.6
153.05580	1.2
160.06160	1.0
161.04532	2.3
174.99190	0.9
179.03513	2.4
179.05658	0.7
180.06618	0.8
182.02176	1.1
197.04561	9.4
201.02625	1.4
204.05560	0.5
211.06088	0.4
213.05469	0.9
217.00313	5.8
227.97804	3.9
235.08264	0.9
239.05644	1.6
244.05054	1.2
245.98900	0.6
246.06688	0.7
266.49487	0.5
274.06082	0.7
286.06128	0.6
315.12701	0.9
323.06192	0.8
323.09863	16.0
323.13687	0.9
324.10141	1.5
359.10077	7.5
359.14972	84.5
360.07031	1.7
360.15356	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	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.82279	1.0
58.00594	2.5
59.01382	72.2
69.98546	1.2
70.06476	5.1
71.01383	37.0
72.99302	2.9
83.01391	3.0
85.02960	7.6
87.00894	1.2
89.02444	29.7
95.01382	3.7
101.02442	16.9
101.68132	1.1
109.02919	2.6
110.00072	1.4
111.00889	1.2
113.02454	15.5
119.03497	10.4
121.02946	7.2
123.00873	3.8
123.82547	1.3
124.70052	1.2
125.02473	1.4
125.99545	1.1
127.20068	1.0
127.76598	1.0
132.58058	1.1
137.02477	7.1
137.03433	1.5
137.99652	1.7
138.03220	2.9
139.00345	2.4
139.04019	1.9
143.03508	1.5
153.05609	9.1
161.02515	1.6
165.01880	1.9
166.99838	3.4
180.04266	2.2
181.01448	5.9
182.02187	9.9
183.03009	2.0
195.06645	2.6
196.03784	6.0
197.04546	60.0
198.04855	2.8
211.06088	10.8
214.73843	1.4
224.03264	4.5
225.03906	2.5
239.05591	40.2
240.05920	3.2
269.06741	4.0
299.07727	7.1
306.05002	1.1
315.07834	1.1
344.07364	2.5
359.09833	100.0
360.10165	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	359.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.6
58.62583	1.1
59.01382	100.0
60.51935	1.2
61.98822	4.3
65.00329	1.4
69.03476	1.1
71.01385	26.2
71.60975	1.8
72.65264	1.1
72.99313	20.0
73.02938	2.1
75.00863	1.8
81.03455	1.8
83.01377	1.8
85.02959	6.5
87.00835	2.7
87.04497	1.3
88.04051	1.4
89.02451	18.9
90.97144	1.5
94.02960	2.9
95.01401	2.6
99.00881	2.0
101.02447	15.6
109.02964	2.5
111.00887	1.3
113.02446	8.5
119.03497	7.0
121.02947	5.2
123.00896	11.1
123.04513	8.2
125.02457	1.8
134.03751	2.0
135.04530	46.1
136.04854	2.8
137.02472	6.3
138.01955	5.4
138.03212	11.7
139.00340	1.4
139.04050	1.1
143.03465	1.7
149.06140	1.3
153.01936	3.2
153.05608	11.9
156.21059	1.2
159.02902	1.4
161.02431	2.5
161.04553	9.1
165.01923	1.5
165.43880	1.2
166.99855	3.6
174.99248	13.6
175.02682	1.5
179.03503	13.3
180.04126	1.4
181.01399	4.5
181.04936	1.6
182.02251	13.1
183.02762	1.7
195.06650	1.7
196.03806	4.3
196.05896	1.1
197.04547	74.9
198.04875	5.1
201.00813	2.3
201.02533	16.5
202.02652	2.0
211.06149	5.9
214.98653	1.6
217.00299	73.3
218.00659	3.3
224.03299	1.9
239.05611	18.5
240.06032	1.5
269.06516	1.5
297.09811	2.4
299.07632	1.9
323.09833	3.5
359.09805	70.3
360.10104	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	359.0979
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.16085	1.0
57.03455	1.0
57.97277	1.0
58.00584	3.0
59.01383	56.1
60.95447	1.1
67.70671	1.0
70.95874	1.1
71.01383	36.0
71.62378	1.5
72.99309	26.8
75.00852	2.4
81.03447	1.3
83.01359	1.7
85.02943	8.9
87.00867	1.6
89.02443	28.9
95.01389	3.4
95.04990	0.9
99.00908	2.1
101.02441	18.6
102.02752	1.1
109.02955	1.1
111.00903	1.1
112.52609	1.0
112.80631	1.2
113.02466	12.4
118.01797	1.1
119.03510	10.6
121.02966	6.6
123.00886	8.3
123.04524	11.3
132.88644	1.1
135.04524	28.7
136.04887	1.6
137.02458	6.7
138.03188	6.9
139.00398	1.7
139.04094	1.2
140.03526	1.1
143.03510	3.1
146.86661	1.4
146.92314	1.1
149.04568	1.3
153.01933	1.2
153.05588	13.0
161.02472	2.5
161.04539	2.1
165.01935	3.8
166.99873	3.3
170.96024	1.0
179.03506	18.2
179.05261	1.9
179.05566	1.7
180.04054	1.7
181.01427	5.7
182.02216	10.7
183.02873	1.8
196.03745	4.2
197.04550	83.1
198.04860	5.4
198.99237	2.4
200.71964	1.0
211.06114	8.8
224.03186	2.1
227.05608	2.1
239.05612	28.5
240.05978	1.9
258.97742	1.8
269.06689	3.0
299.07724	4.7
314.86212	1.1
323.09708	8.2
327.07272	1.4
344.07556	3.1
348.48834	1.0
359.09830	100.0
360.10156	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	359.0771
Annotation	rosmarinic acid
Peak:m/z	Relative Intensity
57.13683	0.3
63.56569	0.3
71.11974	0.8
72.99306	18.9
94.35947	0.3
95.05047	0.4
107.05024	0.8
107.54491	0.3
109.02952	1.2
109.10816	0.3
123.04518	8.4
132.02188	1.1
133.02959	23.2
134.03424	1.1
135.04524	19.1
136.04897	0.7
139.63828	0.3
151.03969	0.8
159.00645	0.3
161.02443	100.0
162.02774	5.8
179.03491	14.9
179.05139	0.6
180.03871	0.7
193.79370	0.4
197.04547	26.9
198.04918	1.3
233.28502	0.4
359.07611	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	359.0771
Annotation	rosmarinic acid
Peak:m/z	Relative Intensity
53.43972	0.2
59.92701	0.2
71.41325	0.4
71.97072	0.3
72.99309	18.1
77.03967	0.3
89.03977	0.3
102.47747	0.2
107.05039	0.7
109.02939	0.5
119.67751	0.2
120.36176	0.3
123.04526	9.2
124.04852	0.4
132.02184	1.0
132.77699	0.2
133.02960	23.7
134.03470	0.8
135.04524	20.9
136.04877	0.8
151.04016	0.8
161.02441	100.0
162.02789	5.2
165.11285	0.3
177.60612	0.2
179.03493	14.6
180.03806	0.9
197.04547	26.2
198.04906	1.6
224.50359	0.2
264.95963	0.2
281.43747	0.3
357.22220	0.3
359.07614	2.5
360.07690	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	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	87.8
60.01711	1.3
61.98840	1.0
63.19177	0.6
68.20831	0.6
69.95313	3.5
72.99305	1.0
75.69839	0.6
89.79380	0.7
90.97115	0.7
93.35762	0.6
98.19820	0.9
108.16030	0.6
112.59036	0.6
131.03029	0.7
132.98212	1.7
145.23734	0.6
157.03545	2.2
159.01575	1.0
174.99245	23.7
175.99689	0.9
180.45682	0.7
201.02544	27.3
202.02754	2.2
217.00298	100.0
218.00761	2.8
247.87102	2.3
248.37134	0.7
248.87038	1.4
256.87735	7.8
257.87866	1.1
271.86395	1.2
274.88760	16.0
275.88672	3.3
287.84995	2.7
288.35074	1.8
288.84970	1.2
289.87469	6.2
290.87466	1.0
298.88779	6.3
299.88861	0.9
316.89755	19.1
317.89828	3.6
359.01392	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	359.0771
Annotation	Rosmarinate
Peak:m/z	Relative Intensity
56.31285	0.2
65.35818	0.2
66.96104	0.2
71.14165	0.4
72.99310	13.7
85.60986	0.2
95.05011	0.3
105.03466	0.2
107.05042	0.2
109.02928	0.3
115.01852	0.2
123.04527	6.3
132.02194	1.1
133.02962	18.3
134.03815	0.4
135.04529	16.2
136.04880	0.3
151.04005	0.4
161.02446	100.0
162.02773	5.0
172.08791	0.2
179.03500	12.8
180.03796	0.5
197.04550	28.5
198.04868	1.1
223.02496	0.2
359.07703	2.3
360.08029	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	358.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00594	6.0
66.37057	7.1
72.99300	15.1
101.19489	6.3
133.02954	24.4
135.04514	19.7
152.44200	6.6
161.02455	100.0
161.07036	7.0
179.03502	16.9
185.63235	6.4
197.04498	13.8
267.86600	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	358.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	5.4
59.01383	100.0
67.58923	2.4
71.64785	3.5
75.33762	2.4
133.02940	6.1
135.04524	4.2
161.02461	30.6
179.03461	6.3
182.62111	2.4
197.04507	6.1
200.19223	2.5
205.05052	3.6
227.86870	2.9
261.99841	2.8
334.39197	2.5
358.20837	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16323	0.9
59.01384	100.0
65.28747	1.1
68.34644	0.9
71.01385	6.7
73.02961	2.5
75.61980	0.8
85.02940	2.6
99.00858	1.3
101.02443	3.5
109.02954	10.5
110.24937	0.9
113.02477	2.3
135.04512	2.1
159.03094	0.8
159.04523	3.6
161.04536	3.9
166.19650	0.9
175.04036	0.9
178.15567	0.8
195.04430	0.9
203.03465	2.9
269.08282	4.1
270.08481	1.1
313.07150	3.1
317.11392	1.0
339.77667	1.0
357.06207	1.3
379.42789	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	357.0979
Annotation	Cimiracemate B
Peak:m/z	Relative Intensity
52.32352	0.8
59.01371	1.0
72.99309	10.4
107.05028	1.6
109.02953	39.4
110.03258	1.6
119.05025	43.8
120.05382	1.8
121.02935	1.4
123.04504	3.1
131.04982	1.3
132.02155	14.9
133.03006	5.9
134.03748	7.4
135.04527	36.3
136.04845	1.9
145.02867	1.0
147.04520	3.4
149.05925	1.0
151.03952	1.1
159.04541	11.3
160.01659	60.9
161.02429	10.1
163.04007	39.1
164.04378	2.0
175.04007	100.0
176.04346	6.0
178.02686	1.4
179.03494	4.4
181.05072	86.6
182.05389	3.8
193.05051	3.1
197.04510	1.4
203.03539	7.5
215.89410	1.0
223.07840	1.0
237.05466	1.6
247.11057	1.0
251.07115	1.4
253.05232	1.0
254.05841	2.1
267.06540	1.6
269.08197	15.8
270.08505	2.2
313.07144	7.7
357.06027	7.0
357.09879	1.7
357.17383	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	357.0616
Annotation	Phellinsin A
Peak:m/z	Relative Intensity
56.55746	0.4
59.01355	0.5
59.07019	0.4
59.12537	0.4
65.07677	0.3
70.04567	0.5
72.47670	0.3
81.03441	0.8
88.98832	0.5
91.01884	0.5
93.03471	0.5
98.20624	1.1
108.02164	3.3
109.02953	100.0
110.03275	3.7
115.05527	1.1
117.03397	0.4
119.05013	1.1
121.02950	1.1
122.03732	0.5
123.04539	3.9
129.03413	0.8
130.04257	1.0
131.05042	2.6
132.02206	0.5
133.02957	7.2
135.04520	10.2
136.04854	0.6
137.02409	0.6
145.02962	3.1
146.03807	1.9
147.04514	8.3
151.03993	1.2
158.03752	2.0
159.04512	28.5
160.04842	2.2
161.02443	6.2
161.06088	0.4
163.04053	1.0
173.02338	0.6
174.03210	1.3
175.04016	6.3
177.01994	0.6
179.03493	4.1
185.06012	0.5
191.03510	1.1
195.08151	0.4
197.06070	0.7
198.06834	1.2
199.07585	1.2
203.03490	22.1
204.03853	1.9
209.06122	0.8
211.07565	0.5
213.09145	0.8
221.06096	0.5
222.06892	0.8
223.07640	1.6
225.05646	1.1
226.06328	1.0
234.56311	0.4
236.04984	0.4
237.05547	2.4
238.06087	0.5
239.07066	1.1
241.08618	0.4
247.02525	1.7
249.05548	0.6
250.06224	0.8
251.07083	2.7
252.07843	1.2
253.05125	2.1
254.05798	5.0
255.06609	2.0
257.08264	0.5
266.05786	0.9
267.06595	4.1
268.07178	1.0
269.08173	46.8
270.08594	5.7
285.07504	0.6
295.06079	2.5
313.07144	20.2
314.07520	2.4
357.06152	12.2
358.06522	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	357.0614
Annotation	Epiphyllic acid
Peak:m/z	Relative Intensity
56.19866	0.8
57.60313	0.8
66.85178	0.6
69.33143	3.7
69.33566	3.0
81.03466	0.8
88.82782	0.7
91.01917	1.1
103.36224	0.8
108.02171	2.9
109.02954	100.0
110.03288	3.7
118.69648	0.8
119.05082	0.9
121.02856	1.0
123.04523	2.0
123.86578	0.8
129.03432	0.8
131.05043	2.7
133.02983	5.9
135.04532	9.1
145.02925	2.6
146.03712	2.0
147.04544	6.4
148.04874	0.7
151.04013	1.6
158.03685	1.4
159.04521	33.2
160.04892	2.5
161.02455	4.9
175.03972	5.1
179.03490	4.3
185.06213	0.8
191.03525	2.0
198.06810	1.2
199.07516	1.2
203.03510	33.1
204.03848	2.9
225.05531	1.6
234.14700	0.7
237.05615	1.9
247.02451	3.2
250.06525	0.8
251.07169	2.4
253.05093	2.9
254.05788	4.7
255.06709	1.1
266.05807	1.0
267.06589	4.2
268.07324	0.9
269.08185	65.9
270.08496	8.8
295.06042	3.6
313.07181	31.3
314.07382	4.5
357.06152	18.0
358.06494	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	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66038	3.3
58.91247	3.1
61.98832	100.0
70.09213	16.1
74.36713	3.3
94.08803	3.1
109.02981	19.6
121.02956	7.4
123.81297	3.3
159.04530	4.1
269.07953	8.3
322.03940	3.6
357.05585	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	357.0615
Annotation	Phellinsin A
Peak:m/z	Relative Intensity
62.73023	1.4
65.59107	1.1
72.99311	5.0
89.86117	1.2
96.72919	1.2
107.05015	1.5
108.02188	3.4
109.02956	100.0
109.10961	1.4
110.03273	2.6
119.05017	1.2
121.02920	2.9
123.04539	7.3
128.08296	1.1
131.05043	2.2
133.02968	14.3
134.03802	2.4
135.04527	34.9
136.04898	1.3
145.02936	4.3
146.03705	1.4
147.04515	9.4
149.02458	2.7
151.03963	7.5
158.03653	1.6
159.04506	27.1
161.02457	27.1
163.03992	2.2
175.04019	8.9
177.01842	2.7
179.03499	13.3
189.01796	1.9
191.03456	1.9
192.57719	1.4
195.02924	1.5
197.04460	2.6
203.03508	23.9
204.03964	1.8
207.02934	1.5
207.46693	1.2
212.04939	1.6
223.07516	1.7
225.05635	1.3
237.05426	2.0
241.05074	1.4
247.02341	2.0
251.07030	2.4
253.05043	2.8
254.05847	4.4
255.06531	5.3
267.06540	6.0
269.08191	48.9
270.08633	6.0
295.06042	5.9
305.71606	1.4
313.07169	18.9
314.07535	2.7
316.58408	1.2
345.02310	1.5
357.06168	18.3
358.06412	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	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01365	1.4
61.98846	1.6
71.02880	2.7
85.02949	2.4
101.06120	2.3
105.35300	1.4
106.61113	1.3
107.05019	1.7
109.02945	4.5
114.69256	1.3
122.03734	11.8
125.06016	1.4
127.07635	1.8
130.24858	1.4
135.04510	32.4
147.08127	3.1
149.06134	1.8
149.09662	9.2
151.07642	3.9
154.02707	3.2
160.50787	1.2
161.09714	9.1
163.07675	3.3
163.11282	63.8
164.08415	18.5
164.11572	4.1
165.09164	12.0
177.07608	2.6
177.09200	84.2
178.09962	25.8
179.10767	85.3
180.11110	4.8
183.10262	2.3
187.11197	2.1
191.10779	15.2
192.11084	1.5
193.08727	10.6
280.14810	3.7
298.15720	64.8
299.16162	6.9
301.36176	1.3
307.17020	1.7
309.22205	1.7
313.22052	1.6
321.18787	1.8
322.19263	1.6
337.17569	1.9
337.21713	51.9
338.21964	11.6
340.20410	89.7
341.20819	15.1
355.22803	100.0
356.23087	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	355.1188
Annotation	Kalmiatin
Peak:m/z	Relative Intensity
53.07090	1.1
69.57159	5.3
69.57576	2.4
93.03456	4.6
98.20689	1.5
106.04273	5.3
109.02958	2.7
111.00885	2.4
121.02963	13.9
133.02966	57.7
134.03752	83.0
135.04002	3.1
137.02451	85.1
138.02759	3.8
139.04013	28.8
149.02443	3.7
150.03230	7.7
158.45128	1.2
161.02461	6.6
162.02849	1.4
165.01939	3.2
178.02730	70.3
179.03061	3.3
193.05051	6.2
241.05130	2.0
271.09808	3.6
281.08157	1.7
296.10690	1.2
311.12927	10.1
312.13593	1.4
333.40729	1.1
355.11862	100.0
356.12277	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.4
59.01382	36.9
61.88104	2.4
66.42713	3.0
70.95036	4.2
70.95377	6.0
71.01385	32.3
72.99303	3.3
82.41725	2.5
85.02953	13.5
89.02453	11.1
95.61757	2.9
97.02959	2.8
99.00927	3.4
101.02455	13.2
113.02458	11.1
114.31613	2.3
117.03429	2.8
119.03436	2.5
119.05029	14.9
129.01920	7.6
132.02187	8.7
133.02963	7.6
134.03741	79.7
135.04282	3.6
137.02478	4.1
145.02953	3.9
147.04533	12.7
148.05305	4.8
149.06090	29.7
160.01653	57.3
161.02269	6.0
161.04536	4.8
163.04001	31.5
175.03998	70.1
176.04720	27.0
177.01888	3.6
178.02719	14.1
191.07126	32.6
192.07498	3.4
193.05042	100.0
194.05339	9.7
207.06604	10.8
209.06622	30.7
217.05057	4.6
220.03659	5.2
235.06110	66.3
236.06665	4.2
265.04718	4.7
265.07199	40.5
267.06564	9.1
295.08249	79.9
296.08429	5.9
311.05554	13.9
355.04605	9.3
355.10208	8.8
355.18057	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99937	1.7
57.03439	1.9
58.00603	1.8
59.01380	43.0
59.40965	1.8
69.70300	11.8
71.01387	25.1
72.99295	2.6
73.02944	3.0
84.67725	1.7
84.85930	1.8
85.02954	8.4
87.00883	2.6
89.02446	11.0
93.03461	2.8
95.01415	2.6
99.00868	2.3
101.02458	9.1
109.02953	5.1
113.02440	6.0
117.03497	3.0
119.03526	2.8
119.05035	6.3
121.02959	2.9
129.01950	2.4
132.02187	12.7
133.02972	9.7
134.03743	84.6
135.04437	3.2
137.02446	9.9
142.82109	2.0
145.02998	3.5
147.04535	10.8
148.05284	5.1
149.06070	22.7
160.01656	53.3
161.02419	8.7
163.04013	8.4
164.04825	1.6
173.06003	2.1
175.04007	69.4
175.14108	1.8
176.04785	26.9
177.01964	4.4
177.05188	2.7
178.02740	13.7
179.03340	3.3
191.07112	35.3
192.07448	3.3
193.05049	100.0
194.05412	6.7
202.02676	3.7
207.06679	9.5
209.06645	11.5
212.95543	1.9
217.05069	5.9
220.03712	5.5
224.04474	2.8
225.05652	2.5
227.03471	10.0
228.04210	4.5
235.06114	74.0
236.06537	3.8
237.05579	4.0
238.06180	2.8
240.04245	2.3
241.05107	4.0
249.05429	2.3
251.03374	2.1
265.07156	40.8
266.07581	2.7
267.06607	19.1
268.06897	2.3
295.08221	75.7
296.08606	7.7
311.05609	24.8
355.04639	11.7
355.10159	16.0
355.13962	2.9
356.04965	1.9
356.10730	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	355.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.9
61.98832	100.0
69.80332	5.2
71.01384	3.2
71.08192	0.9
73.02923	1.5
75.22081	0.8
89.02470	1.6
93.03452	1.1
98.20576	1.1
101.02425	2.1
109.02966	1.8
113.02438	1.3
131.03534	0.9
134.03734	2.2
150.05583	1.6
193.05016	1.3
194.04510	1.6
209.06099	1.3
211.04033	1.0
213.05644	1.2
221.05890	0.9
225.05304	1.3
227.03477	2.9
228.04141	1.1
236.04692	1.3
237.05565	3.1
238.06250	1.2
239.07269	2.0
240.04282	2.2
241.05106	1.6
245.89842	0.8
255.06702	2.0
265.05026	3.6
267.06625	10.8
268.06937	1.6
269.04437	1.0
283.06036	3.4
293.04510	3.7
294.05359	1.2
311.05640	28.2
312.05972	2.3
355.04413	9.6
355.10736	1.0
356.04868	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	355.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02267	2.0
59.48898	2.2
71.11266	5.5
74.96796	2.2
88.95078	2.5
93.92616	2.3
111.16525	2.5
134.03760	2.9
145.36421	2.3
151.34288	2.6
183.04538	2.9
193.05000	2.3
197.06020	2.7
199.04008	5.5
209.06062	5.5
211.04039	11.1
224.04811	6.6
225.05458	4.8
227.03511	62.1
228.04243	24.2
229.04703	2.7
237.05534	7.7
238.06297	5.3
239.03528	5.6
239.07077	6.7
240.04280	27.4
241.04895	4.5
249.05495	6.2
253.04999	5.5
254.05855	4.6
255.06616	5.7
265.04895	6.0
266.05661	6.0
267.06595	24.1
283.06097	7.8
293.04486	2.5
311.05615	100.0
312.05972	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	355.046
Annotation	Xerocomic acid
Peak:m/z	Relative Intensity
51.32722	1.4
59.01374	4.5
71.01395	1.9
71.66304	2.1
83.01394	3.7
87.01588	1.5
109.02965	2.4
124.79583	1.6
134.03741	1.8
168.84872	1.6
171.04535	4.4
175.04048	3.0
183.04501	2.5
185.44348	1.6
193.05087	4.6
195.04579	2.2
196.05246	2.7
197.06117	3.5
198.03104	1.8
199.04051	9.0
199.07689	1.9
206.96945	1.6
209.06021	3.9
210.03207	3.2
211.04031	14.5
211.07620	2.1
212.04733	3.2
213.05405	2.2
221.06027	2.2
223.04080	2.7
224.04759	5.7
225.05528	3.2
226.02725	2.7
227.03491	68.6
227.06967	2.6
228.04224	36.3
229.04541	2.2
235.03951	1.8
235.06091	2.8
237.05553	6.6
238.06285	8.0
239.03450	2.3
239.07095	3.9
240.04309	16.8
241.05064	10.7
243.02969	4.5
248.04890	2.1
249.05548	4.7
252.04366	2.8
255.06668	10.4
265.05142	3.7
266.05911	1.8
267.06653	13.9
267.12433	2.5
283.06000	7.5
293.04575	3.5
295.08228	2.3
311.05612	100.0
312.05957	13.8
355.04471	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	355.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94107	1.0
53.44190	1.1
59.16841	0.9
70.15063	4.0
90.15255	0.9
95.68932	1.2
125.02390	1.0
175.04015	1.1
193.06564	1.7
196.05281	3.7
197.06096	1.9
199.03940	1.7
199.37943	1.2
209.06125	3.5
210.06677	1.2
211.03963	3.1
211.07666	4.0
219.04584	1.3
220.05292	2.3
221.06059	5.2
222.06830	2.9
223.03847	1.1
224.04767	10.1
225.05591	7.8
226.02711	1.8
226.05750	1.2
227.03503	21.7
228.04250	5.5
234.05971	1.2
235.03986	1.2
237.05519	6.8
238.06300	5.3
239.07137	8.1
240.04248	9.1
241.05081	9.6
246.86330	1.1
247.04024	1.8
248.04767	4.2
249.05585	11.7
250.06302	7.5
252.04306	1.6
253.05077	4.1
264.04184	4.9
265.05020	10.2
266.05804	14.5
267.06613	100.0
268.06927	11.5
281.04630	2.7
283.06079	2.9
293.04523	1.7
299.67145	1.2
311.05609	59.7
312.05954	8.1
355.04584	49.2
356.05063	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	355.046
Annotation	Xerocomic acid
Peak:m/z	Relative Intensity
57.36849	0.6
59.01387	1.0
59.43036	0.6
61.57566	0.6
61.98814	1.3
67.94304	0.6
69.35088	0.6
70.51929	1.5
70.52283	1.0
75.75860	0.7
78.29794	0.6
79.56130	0.6
85.02953	0.9
101.11930	0.7
107.20337	0.7
109.02957	5.5
136.85338	0.7
145.02924	1.2
146.80252	0.7
150.05643	1.1
162.99730	0.6
173.02509	2.0
174.03246	2.6
180.05928	1.1
181.06612	1.2
183.04594	1.4
183.08153	0.9
185.06093	0.7
194.04626	1.3
195.04573	1.6
196.05299	2.1
197.06123	2.4
199.07700	1.1
201.02026	1.3
208.05289	0.9
209.06052	5.2
211.04123	2.1
211.07674	2.9
212.04793	2.7
213.05533	2.6
221.05980	1.2
222.06703	0.6
224.04816	3.6
225.05560	2.2
225.19977	0.6
226.06337	1.3
227.03549	2.5
227.07208	1.8
237.05585	8.6
238.06305	2.8
239.03421	1.4
239.07129	3.6
240.04341	5.6
241.05020	5.8
248.04721	1.1
249.05629	3.5
252.04192	3.7
253.04945	3.3
254.03352	0.7
254.05811	2.9
255.06604	5.4
264.04279	1.4
265.05084	10.3
266.05597	2.6
267.06567	7.5
268.06720	1.1
269.04541	2.7
281.04556	1.0
283.06143	17.7
284.06470	1.8
293.04587	12.2
294.04947	1.4
311.05630	100.0
312.05957	9.8
329.90213	0.6
355.04584	22.5
356.04849	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	355.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67451	0.8
52.81122	1.1
58.97678	0.9
59.01377	2.9
60.24727	0.8
62.43182	1.0
64.16862	0.9
70.55675	0.8
71.01419	1.3
83.01391	4.1
86.51785	1.0
87.00889	1.0
94.68373	0.8
98.88097	0.9
101.49734	0.9
129.11038	1.0
132.02107	1.2
134.03847	1.5
145.02965	1.8
160.01659	8.3
167.04942	0.9
171.04514	3.8
175.03995	11.7
178.02777	1.3
181.06590	1.9
182.03758	0.9
183.04533	1.7
193.04987	3.0
193.06584	2.1
195.04559	1.4
195.65343	1.0
196.05281	3.1
197.06082	3.1
198.03183	2.4
199.04007	8.5
199.07646	1.6
209.06136	7.2
210.03261	1.0
210.06743	1.4
211.04024	13.5
211.07603	3.9
212.04721	3.5
221.06064	1.8
223.03932	3.2
224.04791	6.3
225.05611	4.6
226.02664	1.9
226.06207	1.1
227.03514	65.1
227.07135	3.6
228.04247	27.9
229.04578	2.2
235.06085	1.4
237.05577	4.4
238.06398	8.4
239.03453	1.9
239.07062	5.6
240.04291	11.2
241.05037	9.9
248.04677	1.5
249.05577	3.7
252.04178	1.9
253.04990	1.5
254.05817	2.1
255.06622	7.5
265.05048	4.4
267.06586	13.8
268.24838	1.1
276.70242	1.0
283.06146	6.9
292.43118	1.1
311.05630	100.0
312.05902	10.7
351.49948	1.0
355.04623	15.2
356.04880	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	355.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64644	1.6
54.10313	1.5
59.01387	36.8
61.98837	9.4
64.51793	1.3
71.01392	9.7
71.17483	3.3
71.17805	2.2
72.16645	1.6
73.02940	4.5
74.16220	1.6
83.01394	3.3
85.02948	7.1
86.24673	1.4
93.03466	4.5
101.02438	5.6
109.03017	1.7
113.02447	5.2
137.02441	1.5
151.03989	5.6
158.01193	2.1
161.04556	7.0
171.04468	2.1
175.04031	2.3
181.06592	1.8
181.87717	1.5
183.04483	3.6
193.06557	4.0
196.05371	4.5
197.06038	2.1
199.04022	8.8
209.06049	7.1
211.04030	15.8
211.07559	3.2
212.04736	4.3
214.08607	1.7
220.05305	4.6
220.92529	1.8
221.05977	3.7
223.04062	2.4
224.04770	8.7
225.05495	7.4
226.02722	2.2
227.03511	75.6
228.04268	35.0
229.04675	2.7
237.05595	13.9
238.06267	11.7
239.03551	6.8
239.07079	8.4
240.04286	35.7
240.06602	1.9
241.04970	8.3
248.04726	6.6
249.05547	16.4
250.06146	5.7
253.05055	4.9
254.05751	4.2
255.06633	3.4
264.04340	3.8
265.05096	11.5
266.05780	9.6
267.06616	67.4
268.04294	1.8
268.06989	9.0
269.04453	5.7
269.10223	8.8
272.32315	1.7
282.05377	1.7
283.06073	7.9
293.04459	2.4
311.05609	100.0
312.05963	11.7
313.09048	1.8
355.04520	31.3
355.10141	10.4
356.04959	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	355.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42850	0.5
62.00355	0.4
69.47733	4.0
72.99291	0.9
75.02425	0.8
80.66415	0.6
93.03439	0.6
96.91151	0.5
109.02953	1.0
114.13477	0.6
121.02936	0.6
132.02165	1.4
133.02956	17.5
134.03737	0.8
135.03590	0.8
135.04536	9.5
137.02448	30.9
137.77892	0.5
138.02798	1.4
139.04015	0.8
147.00874	1.2
161.02446	50.8
162.02766	3.3
163.00363	2.2
164.01151	13.6
165.01927	27.7
166.02234	1.6
192.00650	1.7
193.01421	100.0
194.01753	5.5
228.04453	0.6
263.03445	4.5
267.06647	0.7
311.05621	1.6
323.99133	0.5
335.01935	4.5
348.16891	0.6
355.04648	1.2
355.25946	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	354.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33545	1.3
55.01883	3.5
59.01384	99.9
61.98814	4.4
71.01385	42.3
72.99307	1.7
73.02949	12.4
83.01387	4.5
85.02950	18.9
85.03434	2.0
89.02467	4.0
92.42294	1.3
93.09126	1.2
95.01401	3.7
96.96026	6.8
99.00884	6.8
101.02447	26.8
109.02943	3.0
113.02456	21.7
122.03761	4.5
134.03741	5.2
135.04607	1.8
136.07661	3.1
137.02492	1.8
137.90012	1.3
138.05609	1.7
143.03528	3.1
145.02959	2.7
159.03017	7.2
160.01752	2.1
161.04567	100.0
162.04971	3.0
175.04071	3.4
177.01900	1.7
188.05672	8.3
193.05064	4.1
193.06653	1.7
205.03418	2.4
209.06055	1.4
211.04018	2.7
221.06111	2.9
224.04839	2.8
225.05666	2.5
227.03482	10.6
228.04243	2.2
229.61438	1.7
235.06010	2.8
237.05641	3.1
239.03618	1.6
239.07210	2.1
240.04269	6.4
247.03619	1.4
249.05472	2.7
251.03514	1.6
263.19995	1.6
265.05045	3.6
266.05692	2.9
266.51630	1.4
267.06601	17.9
269.04346	2.0
293.04593	3.0
295.08252	2.0
301.67902	1.4
311.05643	24.8
325.07248	1.8
327.05042	1.5
355.04587	10.5
355.14081	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	354.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55980	1.3
57.03456	2.6
59.01382	97.5
70.21591	5.8
71.00989	2.6
71.01385	45.2
72.99314	2.4
73.02947	13.1
75.00889	2.0
79.91933	1.5
83.01401	4.9
85.02958	20.6
89.02460	3.7
93.03454	1.7
95.01406	4.2
98.88641	1.3
99.00877	6.2
101.02447	23.5
109.02992	2.1
113.02446	21.2
115.02923	1.8
119.05000	3.5
120.14785	1.6
129.01959	1.8
129.76385	1.3
133.02901	1.9
134.03754	3.6
135.04517	2.1
137.02454	1.9
143.03496	2.0
149.05991	1.4
159.03021	5.5
160.01707	1.7
161.04561	100.0
162.04918	3.4
163.03986	4.0
175.04004	3.7
188.05714	6.5
193.05110	4.1
205.03545	3.4
209.06660	5.4
227.03487	3.6
233.63164	1.5
235.06036	1.9
237.05363	1.5
238.06071	1.4
240.55327	1.5
267.06650	5.6
284.45169	1.4
295.08215	2.7
311.05579	8.1
354.06552	3.7
355.04578	3.3
355.10178	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	353.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35033	1.4
58.02973	4.8
59.01382	100.0
60.01702	1.8
64.48217	1.6
70.02961	3.6
70.03522	7.4
71.01382	1.5
74.35872	1.2
85.02977	2.0
89.21127	1.4
90.14507	1.4
96.00948	2.5
98.20010	2.2
101.02433	1.9
111.44998	1.6
113.03560	4.6
114.01981	2.6
131.04602	9.1
141.59700	1.3
141.71019	1.4
150.05562	1.9
153.01924	1.8
166.84277	1.2
191.05539	7.0
209.06105	3.4
211.03983	2.6
224.04767	1.6
225.05624	1.6
235.03923	1.6
237.05600	8.7
238.10791	1.9
239.03629	1.9
244.49162	1.6
251.03305	1.8
253.04982	5.3
265.05197	6.8
281.04413	5.5
291.13492	2.4
309.04047	13.9
310.04544	2.4
335.12186	2.1
353.13431	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	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
75.60403	0.2
79.95738	0.6
96.96017	5.0
98.19864	0.9
107.05030	0.3
122.08995	0.2
122.97549	0.5
161.06044	0.5
163.11285	92.1
164.10249	0.3
164.11624	6.2
177.09204	68.4
178.09543	5.1
190.10020	0.4
211.22240	0.3
222.08929	0.7
230.06718	0.4
263.10721	0.3
353.21176	100.0
354.21530	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	353.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35033	1.4
58.02973	4.8
59.01382	100.0
60.01702	1.8
64.48217	1.6
70.02961	3.6
70.03522	7.4
71.01382	1.5
74.35872	1.2
85.02977	2.0
89.21127	1.4
90.14507	1.4
96.00948	2.5
98.20010	2.2
101.02433	1.9
111.44998	1.6
113.03560	4.6
114.01981	2.6
131.04602	9.1
141.59700	1.3
141.71019	1.4
150.05562	1.9
153.01924	1.8
166.84277	1.2
191.05539	7.0
209.06105	3.4
211.03983	2.6
224.04767	1.6
225.05624	1.6
235.03923	1.6
237.05600	8.7
238.10791	1.9
239.03629	1.9
244.49162	1.6
251.03305	1.8
253.04982	5.3
265.05197	6.8
281.04413	5.5
291.13492	2.4
309.04047	13.9
310.04544	2.4
335.12186	2.1
353.13431	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	353.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33978	0.2
57.03453	0.2
59.01379	0.7
70.64979	0.5
71.01395	0.4
72.35340	0.2
85.02958	0.7
89.29050	0.2
95.01389	1.2
108.02187	0.5
108.86217	0.2
110.91261	0.2
113.02417	1.0
122.03745	0.8
123.00880	1.9
130.08737	0.9
131.05008	0.2
131.09099	0.5
141.01906	0.3
147.04520	1.9
148.05315	2.6
149.06079	100.0
150.06419	5.7
152.43199	0.2
157.44080	0.2
170.92854	0.2
191.07124	0.4
203.34457	0.2
232.90277	0.2
293.10300	0.3
311.11230	0.2
353.12576	0.3
353.18347	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	353.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01380	0.6
61.18414	0.1
67.01898	0.2
68.99807	0.2
69.67018	0.9
71.01389	0.3
72.80064	0.1
84.29289	0.1
85.02947	0.9
93.03517	0.2
95.01399	1.5
108.02184	0.5
113.02468	1.2
122.03729	0.8
123.00880	2.3
130.04294	0.2
130.08754	0.7
131.05048	0.2
131.09068	0.3
141.01947	0.2
147.04546	1.4
148.05316	2.3
149.06084	100.0
150.06421	5.9
191.07127	0.2
217.65018	0.1
226.02278	0.1
270.90552	0.1
309.19193	0.2
311.11423	0.2
353.12354	0.3
353.19330	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	353.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
69.75965	1.0
71.01372	0.4
85.02933	0.4
95.01408	0.2
108.02202	0.4
113.02481	0.5
122.03735	0.6
128.78111	0.2
131.05005	0.3
147.04512	1.2
148.05325	2.0
149.06079	100.0
150.06415	6.4
209.15440	0.4
226.43517	0.2
237.37654	0.2
252.67567	0.2
279.21539	0.2
287.27426	0.2
353.12402	0.3
353.19641	0.5
374.31177	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	352.1765
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
50.14483	0.4
52.37465	0.5
58.02977	2.6
59.01372	1.7
60.31161	0.4
60.74273	0.4
61.07209	0.4
64.03072	0.4
69.65395	0.4
73.65520	0.5
81.03479	1.3
84.76034	0.5
85.02943	0.5
95.01406	0.4
95.05036	1.8
106.18018	0.4
109.06593	1.2
110.09789	0.9
113.02434	0.5
123.04523	1.2
128.10818	8.4
129.11205	0.5
130.08743	100.0
131.09108	2.8
135.04510	0.5
135.08174	1.6
147.04530	1.8
148.05318	0.9
149.06085	39.8
154.08740	2.1
159.08186	0.5
172.09799	3.5
177.09229	1.2
179.07169	0.6
181.08759	0.7
246.18541	1.1
254.14038	0.6
261.68015	0.5
290.17538	2.5
291.17801	0.7
293.10233	0.8
308.18658	12.8
309.19028	1.7
334.16614	4.8
335.16971	0.5
352.17645	34.1
353.17905	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55019	1.0
57.10082	1.0
59.01383	100.0
60.01706	1.0
69.44527	5.4
69.44945	1.5
71.01388	17.3
72.99312	1.6
73.02954	9.1
79.93952	1.1
81.93545	6.8
83.05045	1.0
85.02962	11.7
87.00860	1.4
87.04512	12.3
89.02460	8.3
95.01376	1.7
97.02927	1.5
97.06618	1.2
98.20647	2.0
99.00861	0.9
99.04496	4.7
101.02439	9.9
103.04011	11.0
108.04545	2.3
108.61488	0.9
113.02456	8.5
115.04025	4.7
119.03497	4.0
119.83440	0.9
122.06133	2.2
125.23775	0.9
127.04013	0.9
136.04057	1.8
138.05615	2.7
138.49561	0.9
139.36539	1.1
145.05078	2.1
145.09804	1.1
146.06122	2.9
151.04169	1.3
152.03574	1.6
161.04564	6.8
161.08409	0.9
166.05083	3.5
167.05836	3.1
168.06656	1.3
175.64099	0.9
179.05556	1.1
188.07202	1.0
202.12286	1.2
204.06889	1.2
210.04077	1.4
229.09779	1.1
231.11508	1.4
233.01115	1.6
234.01701	1.7
235.08388	2.1
247.08296	1.8
264.12439	1.6
277.03510	1.7
286.51486	0.9
289.11880	4.0
291.14478	7.3
307.13004	10.2
321.11752	1.7
333.11462	3.3
351.12045	11.5
351.16464	7.1
351.20615	1.7
352.11581	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	352.1038
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
55.01886	2.0
55.60103	1.1
59.01382	100.0
60.01698	2.5
69.03439	1.6
71.01385	33.0
72.99293	4.3
73.02947	29.6
75.00851	3.8
77.62893	1.1
83.01401	8.0
85.02951	8.7
86.03268	1.6
87.00879	8.2
89.02425	4.7
92.05047	4.1
96.95956	1.1
97.69430	1.1
99.00848	1.2
99.04547	2.3
101.02447	20.0
102.02744	1.2
111.84529	1.1
113.02452	13.1
113.21815	1.3
114.02779	2.5
116.05022	3.7
118.02958	4.2
118.59767	1.2
119.03475	2.8
120.04518	4.0
126.90498	1.6
129.01863	1.2
131.03656	2.7
132.04559	9.8
142.06587	1.5
144.04530	12.1
146.02486	55.1
146.06117	2.0
147.03271	49.0
148.04076	9.0
149.04369	1.4
150.05597	2.1
153.03903	1.5
158.06047	3.4
160.04047	59.8
161.04497	7.7
166.05069	1.5
172.04027	11.9
173.04500	1.7
174.05588	9.7
178.02686	2.1
179.02228	6.9
183.04276	1.7
185.04701	3.2
186.05492	8.2
190.05200	1.6
191.05487	1.7
197.06105	2.5
198.03188	3.8
202.05128	9.6
204.06602	1.9
207.04509	1.6
209.06096	5.8
211.03937	3.3
214.05116	13.0
219.04533	2.0
223.04054	1.9
224.04733	3.8
225.05418	7.0
226.02739	8.5
231.60788	1.3
235.04070	5.7
236.04738	2.8
237.05521	10.1
239.03473	2.4
251.03448	5.8
252.04254	1.9
252.06660	1.4
253.05072	13.7
263.03455	4.0
264.04211	2.5
265.04901	3.5
267.02875	2.2
280.03629	2.3
281.04538	13.7
291.02966	6.8
292.08289	5.8
293.15979	3.6
308.13263	4.1
309.04013	26.4
310.09250	7.2
321.50864	1.2
347.74533	1.3
352.06012	2.4
352.10254	45.9
352.16489	7.5
353.03110	14.8
353.10776	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
58.00557	0.7
59.01384	13.9
67.01884	0.8
68.99842	1.1
71.01384	13.4
71.19270	1.2
72.99315	5.5
73.02953	1.3
75.00877	15.5
83.01365	0.8
85.02953	16.6
87.00875	6.8
89.02435	2.2
95.01370	3.8
99.00884	7.5
101.06084	100.0
102.06419	2.7
103.00388	2.4
113.02459	19.1
115.00382	2.0
116.78924	0.7
117.01967	2.5
129.01971	1.4
133.65799	0.6
157.01375	0.9
175.02493	2.5
205.07166	0.8
231.05069	2.7
233.03963	0.7
249.06166	17.2
249.08728	0.9
250.06534	1.1
258.79105	0.7
267.07303	1.9
291.10712	0.9
333.11844	2.4
351.05853	2.2
351.12961	61.6
352.13361	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24113	1.0
55.01881	1.2
57.03440	4.4
59.01380	45.2
63.35687	1.1
69.57147	0.9
69.71692	2.0
69.72096	4.6
71.01383	28.7
71.38483	1.1
72.99311	7.6
73.02935	4.3
75.00871	17.8
83.01381	2.2
84.70386	1.0
85.02957	24.5
87.00877	7.8
89.02431	9.2
95.01398	7.0
99.00892	13.9
101.02425	4.5
101.06083	100.0
102.06419	4.1
103.00357	3.4
103.42418	1.0
108.04575	1.9
111.00897	1.0
113.02451	35.9
115.00332	1.8
117.01927	4.3
118.37616	1.0
122.06100	2.1
126.90535	2.1
129.01921	1.5
138.05574	2.1
146.02458	3.3
147.03268	4.9
148.04088	1.1
149.04785	4.6
151.01717	1.1
160.04018	3.6
161.04572	1.4
166.05130	2.6
167.05927	1.8
171.10210	1.8
175.02481	4.0
205.07202	3.3
212.05850	1.2
223.08351	1.1
229.09785	2.7
231.05119	1.1
235.08601	1.5
240.00121	1.4
243.11186	2.4
249.06105	6.7
267.07138	6.4
271.10782	7.0
289.11868	4.3
290.00882	1.2
292.08304	2.0
307.13055	6.9
333.11807	3.1
351.12906	87.7
351.16495	5.3
352.09589	2.0
352.13721	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03445	2.4
58.00589	3.0
58.47113	0.9
59.01383	100.0
60.01710	1.4
62.83220	0.9
71.01383	44.3
71.36942	2.0
72.01706	1.1
72.99313	7.2
73.02946	4.3
75.00874	3.9
75.53636	1.0
83.01390	3.2
85.02952	12.9
87.00883	4.3
89.02448	36.9
95.01395	3.6
99.00883	2.9
99.04528	1.5
101.02447	27.9
101.06061	2.1
103.00387	1.2
108.04543	1.6
109.02880	1.0
111.70059	1.1
113.02453	20.6
114.02785	1.1
119.03502	20.5
122.06067	1.6
131.03532	1.7
132.04607	1.0
133.01552	2.3
138.05580	1.9
143.03494	1.3
147.03227	1.5
149.04607	1.4
152.03549	1.5
159.06609	1.4
161.04524	3.8
166.05098	1.6
166.52449	1.2
167.05925	1.2
168.06580	1.1
171.10252	3.9
175.02423	1.2
177.01828	1.2
178.07370	3.1
179.05542	2.5
187.18237	1.0
189.11324	2.6
193.03505	2.7
202.08809	1.0
231.11134	1.2
251.06383	1.1
264.40845	0.9
269.07730	1.5
271.10886	1.2
283.74243	1.1
289.11789	3.1
291.14493	2.3
307.13205	7.1
309.15381	1.2
351.01559	1.5
351.05609	9.0
351.12000	10.2
351.16534	44.8
352.12949	1.4
352.17102	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	351.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.7
61.59079	1.8
68.44571	2.0
70.22551	2.1
71.01375	14.0
71.65417	2.8
72.99325	2.8
73.02946	9.1
83.01405	4.2
85.02960	3.4
87.00871	2.8
95.01414	2.6
101.02499	5.1
111.00874	6.8
113.02485	5.7
127.29047	2.0
131.05087	5.1
133.06543	3.5
135.04514	3.0
139.00348	4.6
145.06599	3.6
147.04527	100.0
148.04868	3.2
161.06059	9.9
163.07639	3.9
189.05606	11.4
190.06024	2.5
207.06421	2.6
219.06577	5.2
323.45947	2.4
351.18146	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	351.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
64.68791	0.7
66.26483	0.7
67.67510	0.8
69.55320	5.6
71.01376	1.5
89.02446	2.4
93.03429	1.3
98.19882	1.8
101.02419	1.9
106.11069	0.7
108.02189	0.8
109.02971	0.9
113.02448	1.1
122.38840	0.7
123.04529	49.2
124.04819	2.1
126.90394	1.0
127.07652	1.1
128.89223	4.7
129.05460	0.7
137.02426	1.3
153.05576	100.0
153.33142	0.8
154.05927	5.4
188.92584	0.8
189.07661	1.3
241.91057	0.8
276.94363	1.2
291.10684	0.9
313.11386	4.5
315.10831	19.1
316.11203	2.3
351.08255	1.3
351.12933	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	351.0569
Annotation	4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate
Peak:m/z	Relative Intensity
51.59653	0.5
55.01875	1.0
57.03447	5.0
58.00605	1.0
59.01382	26.6
60.01691	0.7
66.93880	0.6
67.01897	1.2
68.95914	0.6
68.99792	0.8
69.03445	0.9
71.01385	40.3
71.62527	1.0
72.01704	0.6
72.08215	0.5
72.99310	32.9
73.02946	6.4
73.99660	0.8
75.00877	16.6
83.01396	5.7
85.02951	36.4
86.03307	0.9
87.00881	9.1
89.02439	7.3
95.01383	9.1
97.02928	0.5
99.00883	13.0
100.01196	0.6
101.02448	7.1
103.00370	9.7
109.02953	1.1
111.00861	1.6
113.02452	54.5
114.02786	2.1
115.00388	2.7
117.01959	2.7
119.05009	1.4
129.01926	2.9
131.03500	4.7
133.01431	2.3
133.02972	1.1
135.04539	5.6
138.99297	0.5
139.00362	1.4
141.48476	0.6
149.02411	0.5
151.04077	0.6
157.01468	2.5
161.02441	3.7
162.02773	0.7
163.02502	0.8
163.03970	0.9
171.42583	0.7
175.02487	11.0
179.03450	1.4
181.05046	0.8
193.03532	32.7
194.03876	1.5
235.04590	1.1
263.04147	0.7
267.06790	0.7
289.05627	5.5
290.06000	0.7
296.21051	0.5
307.06735	0.9
307.15863	0.5
333.04492	1.0
351.05667	100.0
351.18176	1.6
352.05991	9.6
355.08322	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	351.0566
Annotation	4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate
Peak:m/z	Relative Intensity
51.73206	0.6
55.01862	1.5
57.03450	4.7
58.00600	0.9
59.01382	40.8
60.01694	0.8
65.20335	0.7
67.01884	0.9
68.03815	0.7
68.04198	0.7
68.99828	1.1
69.03458	1.2
69.65560	0.7
71.01384	42.9
72.01719	1.6
72.99309	31.7
73.02950	6.9
75.00880	16.9
75.60535	0.7
75.67074	0.8
78.67316	0.7
83.01403	5.5
84.02194	0.7
84.21958	0.8
85.02954	36.2
86.03307	1.0
87.00879	11.4
89.02439	9.6
92.94158	0.7
95.01384	8.1
96.83026	0.7
99.00890	16.1
101.02441	7.3
103.00388	8.8
108.04607	0.8
111.00902	1.7
113.02453	52.6
114.02775	2.0
115.00382	2.6
117.01955	3.1
129.01921	2.7
131.03500	5.5
133.01433	2.3
157.01462	1.9
163.02449	1.3
166.05049	0.8
174.66731	0.8
175.02489	13.5
193.03522	34.2
194.03917	1.7
210.84663	0.8
236.46336	0.8
287.04974	0.8
289.05640	6.1
307.06619	1.1
307.12903	2.6
311.22003	0.7
333.11285	0.8
351.05673	100.0
352.05981	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
59.01380	100.0
60.01719	0.9
60.16050	0.6
66.56649	0.6
69.74609	4.0
71.01385	4.2
72.99332	1.5
73.02959	2.5
83.01398	1.2
85.02971	1.4
87.78751	0.6
91.72388	0.6
101.02433	4.0
105.80257	0.5
108.15659	0.6
109.02908	0.7
113.02480	1.5
117.40992	0.5
123.08262	0.6
125.09732	3.0
128.38412	0.6
135.04526	1.9
141.72037	0.6
160.37311	0.6
161.02507	1.0
161.04587	1.7
166.39412	0.6
187.09735	5.6
197.04628	1.0
211.09851	0.8
229.10785	1.2
307.17548	3.1
339.05133	0.7
349.13940	0.7
350.16162	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03440	1.6
59.01379	100.0
59.97067	0.6
59.98158	0.8
60.01701	1.4
63.73296	0.8
64.44142	0.7
71.01391	3.8
73.02968	1.7
82.00802	0.6
83.01383	0.8
83.53708	0.7
84.55336	0.6
85.02966	3.0
89.02444	1.3
89.55852	0.7
95.01408	1.1
97.06595	4.9
101.02449	3.0
113.02460	2.2
116.64983	0.7
122.33681	0.8
123.08194	2.7
125.09721	46.3
126.10062	2.3
133.88654	0.7
135.04524	1.5
161.04590	1.6
167.10779	2.0
169.08694	2.3
178.07910	0.7
179.03555	1.1
187.00372	0.8
187.09750	86.8
188.10095	4.7
201.11351	2.9
211.09776	6.0
229.10881	3.1
289.12756	0.9
295.46182	0.7
307.17657	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	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86029	0.8
59.01381	100.0
60.01719	1.0
69.58177	6.1
71.01388	5.5
72.99315	2.0
73.02937	2.4
75.57256	0.8
83.01376	1.3
85.02962	2.2
95.01371	0.8
101.02450	4.5
104.76355	0.8
109.35081	0.7
112.99448	0.8
113.02473	2.0
123.04595	0.9
135.04515	2.8
161.04515	1.8
179.03461	1.0
187.09773	1.2
197.04530	2.4
229.01338	1.6
307.17566	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	349.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01381	100.0
60.01722	1.7
71.01391	4.8
72.99306	2.9
73.02947	1.2
75.05191	0.5
77.98679	0.5
83.01383	0.9
85.02953	1.7
85.13582	0.5
87.00879	0.8
89.02446	1.0
93.25493	0.5
95.01414	0.6
99.00880	0.8
101.02434	3.9
104.78156	0.6
105.01956	4.0
109.03000	0.9
113.02490	1.7
115.25841	0.6
117.66078	0.6
121.17018	0.5
123.04500	1.0
125.09691	1.4
135.03033	0.9
135.04564	2.2
142.95163	0.6
149.02419	0.7
161.02472	0.8
161.04607	1.2
167.03490	0.8
168.03841	0.7
169.03978	0.9
187.09779	1.6
197.04591	1.4
229.01631	0.9
230.01773	0.9
273.84286	0.6
307.17767	3.0
349.13635	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	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01379	52.9
60.01719	0.9
69.46128	2.5
71.01374	2.5
72.99297	1.0
73.02944	0.8
83.01395	0.5
85.02955	1.6
89.02458	0.5
89.40532	0.5
95.01382	0.6
97.06583	6.0
98.19724	0.4
99.24348	0.4
101.02450	2.1
113.02428	2.5
114.02811	0.4
123.08173	3.2
125.09723	55.8
126.10056	2.2
135.04497	1.2
143.10822	0.8
161.02455	0.6
161.04544	0.8
167.10744	1.4
169.08693	1.3
179.03529	0.5
187.09750	100.0
188.10103	6.3
197.04538	0.5
201.11325	2.4
211.09763	5.3
229.01375	0.4
229.10768	1.9
271.92807	0.4
293.03955	0.4
307.17734	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78202	0.6
56.03841	0.6
59.01381	100.0
60.01721	1.7
70.29947	0.9
70.30311	2.7
71.01395	0.9
72.99334	0.7
73.02965	0.9
75.31624	0.7
77.70071	0.6
87.00881	1.2
97.46219	0.7
98.19963	1.0
102.59830	0.6
106.83458	0.7
111.80444	0.7
113.02387	0.8
147.47214	0.7
154.15562	0.7
179.47932	0.7
194.99265	0.7
261.90918	0.8
309.03275	0.8
313.96188	0.6
350.08630	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	349.1139
Annotation	Prodiamine
Peak:m/z	Relative Intensity
55.01878	1.5
57.03437	2.5
59.01379	21.5
60.01691	1.1
68.99802	1.2
69.85581	5.3
71.01382	22.8
72.99309	5.8
73.02943	2.2
75.00874	21.0
83.01408	1.3
85.02952	24.9
87.00866	7.5
89.02454	8.7
93.03413	1.0
95.01381	7.1
99.00878	11.4
99.04518	100.0
100.04852	4.2
101.02443	2.3
103.00381	2.2
113.02446	32.4
114.02739	1.4
115.00358	1.7
117.01900	2.7
119.03497	1.7
129.01923	2.8
157.01375	1.5
161.04427	1.5
162.60698	0.9
168.58551	1.1
170.30435	1.0
175.02463	4.3
180.83768	1.1
231.05127	3.1
249.06126	29.3
250.06390	1.7
250.24559	1.2
267.07245	14.6
307.43463	1.1
331.10385	2.6
349.11377	74.6
350.11725	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	349.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14230	0.2
57.03467	0.3
57.37925	0.2
59.01384	7.0
60.65282	0.3
70.37238	0.3
70.37587	1.0
70.86408	0.3
71.01392	0.8
73.02956	0.4
79.84261	0.3
85.02957	0.6
90.32832	0.3
93.03467	0.6
97.02971	0.4
97.77972	0.2
109.03006	0.3
109.06605	0.5
113.02422	0.5
116.44694	0.2
117.03468	28.3
118.03775	1.4
119.05027	11.8
120.05381	0.7
121.02959	0.9
125.02412	0.3
143.05013	0.8
145.02954	100.0
146.03305	5.7
159.04510	0.7
160.05142	0.3
161.02374	0.5
161.06117	0.6
163.04013	9.5
164.04358	0.4
173.06117	0.3
177.96783	0.3
187.03999	1.8
200.91138	0.3
201.05756	0.3
203.07147	0.5
217.05058	0.4
289.07169	1.1
343.14621	0.3
349.09277	18.4
349.20132	0.6
350.09686	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	349.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82990	1.9
57.03447	7.8
58.00606	3.4
59.01382	48.2
61.98830	4.1
63.05716	1.9
68.46746	2.0
68.99838	4.4
69.03449	3.6
69.47794	11.4
71.01382	54.3
72.70138	1.7
72.99317	11.7
73.02959	6.5
75.00874	36.5
79.93968	8.4
81.03469	2.9
81.82107	2.0
82.44775	2.2
83.01393	2.6
85.02950	55.0
87.00877	19.6
87.01659	2.2
89.02451	17.7
93.69048	2.0
95.01393	11.4
99.00885	19.2
99.04523	100.0
100.04872	2.8
101.02463	7.6
103.00372	7.9
104.98483	1.9
106.58084	2.5
111.00912	3.4
113.02456	64.0
114.02736	3.4
115.00378	4.2
117.01952	6.4
119.03512	3.0
129.01974	3.6
142.34648	2.2
175.02481	4.9
190.76581	2.0
205.07199	5.1
223.08357	2.6
231.05075	6.6
249.06165	55.2
250.06580	3.4
267.07196	86.0
268.07562	4.6
305.11429	5.2
349.11374	97.2
349.15125	25.4
350.11511	10.9
350.15509	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	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12184	0.2
61.98832	100.0
62.98546	0.3
70.69636	0.2
70.69981	0.4
90.71756	0.2
140.11133	0.2
162.98492	1.5
164.96400	0.4
169.50536	0.2
203.99966	0.4
205.00191	0.5
205.99660	0.8
206.97440	76.7
207.97530	6.6
348.98535	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	349.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17391	0.3
56.50642	0.3
59.01377	1.2
65.00334	0.4
71.01391	0.5
72.99319	0.6
81.03439	0.4
83.01395	0.8
92.99782	0.5
93.03461	1.2
95.01395	0.9
98.20634	0.7
99.00858	0.9
102.57339	0.4
108.02162	1.3
109.02949	1.0
110.00100	1.3
111.00902	0.4
117.03470	1.4
119.05025	100.0
120.05366	5.3
120.99304	0.9
123.00888	0.8
123.04482	0.4
124.01658	0.5
125.02436	0.8
133.02975	1.2
135.04518	2.0
135.74255	0.3
137.99577	1.1
139.03943	0.4
140.01094	0.3
145.02957	4.6
149.02383	0.9
151.00371	0.8
151.04053	0.4
153.01924	4.0
157.05113	0.7
161.02437	2.8
161.36909	0.3
163.04021	2.1
164.01167	0.5
164.98271	0.6
166.99893	2.1
168.00575	1.1
179.03510	1.2
181.01427	0.9
183.02974	1.2
185.04517	3.5
197.00851	2.1
211.02473	5.1
225.04065	0.4
231.61545	0.3
267.06573	1.1
269.08151	0.6
299.05692	1.3
305.58258	0.4
311.05606	0.4
331.08224	30.8
332.08588	3.8
349.09241	4.8
349.19858	0.5
350.10068	0.6
362.36194	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	348.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53815	1.9
59.01381	36.8
61.98832	100.0
64.05347	2.0
69.03456	4.1
70.37442	4.2
70.37836	4.3
71.01381	21.0
72.56308	1.7
72.99301	2.7
73.02947	2.4
75.00873	4.9
81.03461	1.7
85.02942	12.6
85.20149	2.0
87.00851	4.2
89.02453	12.8
95.01391	2.8
97.02951	3.6
98.89462	1.8
99.00892	3.1
99.04514	8.0
101.02462	10.0
108.02116	2.0
109.02951	5.5
110.06119	3.7
111.00871	1.9
113.02471	16.8
119.03495	2.7
123.04498	6.0
124.04836	3.9
125.02435	9.2
135.04602	2.3
137.02557	1.8
146.62457	1.7
153.01929	2.6
158.59886	1.8
159.01324	2.0
161.04518	2.7
169.08682	7.1
174.95763	2.1
187.09769	3.2
227.03433	2.7
233.12987	2.8
249.06007	2.9
255.73808	1.8
267.07138	17.0
277.11874	5.4
342.31519	2.1
349.11252	9.4
349.15045	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01887	1.7
57.03446	1.1
58.00599	3.5
59.01381	100.0
60.01708	1.4
69.76234	2.6
69.76649	0.9
71.01385	51.4
72.99309	4.1
73.02953	1.4
83.01379	2.7
85.02946	9.2
87.00889	2.4
89.02447	53.1
90.02781	0.6
95.01382	4.3
99.00878	0.7
101.02444	34.9
101.81718	0.7
102.02785	1.1
113.02446	20.1
115.04014	0.8
119.03507	27.2
131.03481	1.7
143.03539	3.0
149.04547	1.9
157.10744	0.5
161.04549	1.6
167.10773	39.4
168.11116	2.5
179.05638	4.0
185.11812	1.6
303.08572	0.6
347.17090	48.5
348.17426	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	347.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34298	32.0
52.15064	30.2
54.01603	38.4
54.34469	35.5
66.33691	33.6
71.01323	37.1
71.62897	64.2
79.30361	32.3
102.07552	33.0
115.07103	37.0
146.38896	33.9
293.21262	55.4
311.22098	100.0
347.18387	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	347.2226
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
57.03212	0.3
57.03449	3.0
59.01371	1.0
62.21860	0.2
69.03452	0.3
71.01376	0.4
71.62479	0.3
71.62933	0.3
81.03461	1.7
83.01381	0.3
83.05025	5.6
85.02949	2.7
93.03466	0.3
95.05040	1.3
99.04520	0.6
101.06053	0.3
108.02153	1.5
109.02962	1.4
111.04522	5.1
113.06083	0.6
116.26436	0.3
119.51409	0.2
119.52269	0.2
121.02951	0.7
122.03758	0.5
123.04531	3.8
125.09730	0.5
127.04017	6.1
129.05579	0.4
139.04004	0.5
140.04758	1.5
141.05576	0.5
145.05002	0.3
172.03778	13.8
173.04123	0.6
175.14998	0.3
189.16490	4.5
190.16843	0.6
193.15959	0.8
200.08359	0.3
207.17575	0.7
217.15962	4.5
218.16405	0.3
219.17505	0.9
258.16840	0.2
259.17007	0.4
271.16986	0.7
311.20090	0.6
329.21225	0.6
347.22260	100.0
348.22598	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	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01381	100.0
60.01715	0.9
66.29864	0.6
71.01387	6.3
73.02956	2.3
83.01404	0.8
85.02950	4.3
95.01411	1.0
98.20614	1.7
99.00888	1.4
100.59211	0.6
101.02428	4.2
108.86439	0.5
113.02464	3.1
123.04456	0.9
143.10814	0.7
159.03065	0.8
161.04553	2.6
167.03557	1.8
187.77098	0.7
231.43242	0.7
271.44028	0.7
271.50366	0.6
298.67636	0.6
305.16013	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.67385	1.6
55.01868	7.7
57.03452	5.9
58.00589	4.0
59.01091	3.1
59.01379	58.0
71.01383	67.4
71.05008	2.3
71.62434	2.5
72.99314	5.1
73.02943	27.5
83.01385	17.8
85.02949	35.9
87.00879	4.7
89.02431	11.1
95.01384	4.4
99.00893	10.2
101.02444	61.4
106.67549	1.7
111.00845	2.9
113.02449	28.7
119.03508	3.4
119.05025	4.7
125.02407	1.6
143.03491	2.3
159.02972	4.1
161.04543	17.5
167.10812	2.8
212.04825	1.8
260.60123	1.6
298.22516	1.6
303.18082	7.2
323.98575	1.7
347.07986	3.1
347.17111	100.0
348.17490	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43883	0.4
57.03456	0.4
59.01382	100.0
60.01717	1.6
71.01384	5.3
71.05030	0.6
72.12984	0.4
72.99309	4.1
73.02944	2.2
81.03452	0.6
83.01397	1.1
85.02961	3.1
87.00907	0.7
89.02465	0.9
99.00893	0.7
101.02445	4.0
109.02965	0.6
111.00890	0.4
113.02445	2.1
123.04516	2.3
134.03712	0.6
135.04538	8.9
136.04912	0.5
143.10806	1.2
149.02452	1.0
161.04576	1.7
167.03500	0.9
179.03470	2.2
184.05219	0.4
197.04550	6.1
222.81548	0.4
305.16183	1.7
347.07901	0.5
347.11734	0.6
347.17184	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	347.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31956	0.6
55.01872	1.5
57.03460	1.1
59.01383	100.0
60.01728	1.4
67.78931	0.6
71.01384	12.5
71.21455	1.7
72.79836	0.6
72.99310	3.2
73.02953	4.0
75.00868	0.7
83.01373	1.6
85.02954	4.2
85.06602	1.1
85.38406	0.7
89.02475	2.3
93.03487	0.8
95.05048	1.1
98.83873	0.6
99.00892	3.0
101.02452	7.5
109.03002	2.2
113.02471	5.6
119.03528	0.8
121.02946	1.0
123.04537	14.2
124.04816	0.8
133.02962	1.4
135.03035	0.8
135.04530	8.7
137.02473	2.9
139.04008	1.1
141.09254	1.0
143.10748	4.5
149.02443	5.6
155.99625	0.6
159.03067	0.6
161.02486	4.5
161.04576	5.1
167.03496	56.8
168.03842	3.4
179.03580	2.3
185.08282	1.9
197.04512	3.9
209.04695	0.8
237.64923	0.7
242.91920	0.7
259.11032	1.1
305.16092	4.1
329.06616	3.6
347.08264	2.0
347.17474	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	347.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28179	0.7
55.01878	0.8
57.17813	0.6
59.01383	79.5
60.01708	1.3
70.34129	2.1
71.01382	13.3
72.99309	0.7
85.02945	3.1
89.02451	12.4
101.02435	8.4
107.84729	0.7
113.02468	5.0
119.03505	5.8
123.08166	10.4
144.25604	0.7
167.07109	2.1
169.83980	0.6
185.08177	1.1
187.66432	0.7
224.30397	0.7
275.01147	0.6
347.13449	100.0
348.13852	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	347.1346
Annotation	Angeloside
Peak:m/z	Relative Intensity
56.06652	0.8
58.00577	1.0
59.01382	80.3
60.01732	0.7
62.65086	0.7
70.11567	3.0
70.12553	0.6
71.01387	14.2
73.02946	0.6
83.01389	1.0
85.02949	3.0
89.02447	17.0
95.01378	1.2
97.39375	0.7
101.02450	10.5
113.02431	5.7
119.03495	5.8
121.20661	0.7
123.08167	11.7
123.09038	0.5
161.04564	0.9
167.07114	2.0
169.98875	0.7
172.23535	0.8
185.08174	1.0
197.63707	0.7
347.13452	100.0
348.13748	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	347.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
66.53716	3.5
67.76073	3.1
69.85901	18.3
71.01381	31.4
72.99290	3.5
73.02941	10.9
78.95901	9.4
85.02966	16.6
89.02448	50.3
95.01402	3.8
101.02455	33.6
113.02469	18.6
119.03492	10.9
123.08157	8.5
131.03503	15.5
149.04587	12.5
159.02962	6.5
161.04585	7.6
163.01308	3.6
174.05779	3.3
179.05540	21.6
189.05576	4.8
205.04913	4.0
206.52371	3.7
220.74854	3.2
222.24837	3.3
269.84283	3.6
272.93268	4.5
309.08328	10.9
347.07541	31.9
347.13458	91.4
348.13739	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	347.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63646	0.9
59.01379	1.3
68.99823	1.9
73.02946	2.1
79.14049	1.1
82.20012	1.0
95.01414	1.0
98.19914	2.3
99.00871	1.6
101.02381	1.1
110.00149	1.1
112.98835	1.2
117.16891	0.8
139.05551	2.1
141.01877	1.6
143.70717	0.9
145.54102	0.9
146.72501	1.0
169.06721	1.1
171.04491	7.8
172.00121	1.9
184.05270	2.6
185.22208	1.1
195.04610	1.1
196.05215	1.8
198.03331	0.9
211.04013	2.0
212.04811	1.7
225.89996	0.9
240.04292	2.2
241.05127	12.2
244.03889	1.7
255.06511	3.9
268.03778	7.0
269.04404	2.6
269.86179	1.0
270.05328	1.1
283.06134	9.9
284.06610	1.3
287.09253	6.8
315.08731	100.0
316.09058	11.8
347.22458	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	347.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
66.53716	3.5
67.76073	3.1
69.85901	18.3
71.01381	31.4
72.99290	3.5
73.02941	10.9
78.95901	9.4
85.02966	16.6
89.02448	50.3
95.01402	3.8
101.02455	33.6
113.02469	18.6
119.03492	10.9
123.08157	8.5
131.03503	15.5
149.04587	12.5
159.02962	6.5
161.04585	7.6
163.01308	3.6
174.05779	3.3
179.05540	21.6
189.05576	4.8
205.04913	4.0
206.52371	3.7
220.74854	3.2
222.24837	3.3
269.84283	3.6
272.93268	4.5
309.08328	10.9
347.07541	31.9
347.13458	91.4
348.13739	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	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96688	0.1
59.01382	4.1
60.01724	0.4
61.98833	100.0
62.98524	0.2
67.50964	0.1
70.04688	0.6
81.72906	0.1
95.58197	0.1
102.57351	0.1
122.24746	0.1
144.58667	0.1
157.25108	0.1
161.01215	0.1
201.02629	0.8
202.02678	1.5
202.98814	0.4
203.02298	2.1
204.00005	40.6
205.00125	3.8
215.66168	0.1
235.50410	0.1
346.01028	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	347.075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30735	6.8
53.78744	7.2
57.03440	9.6
59.01379	65.1
64.61990	7.4
71.01385	51.8
73.02946	22.7
85.02972	16.0
87.00855	9.3
89.02451	81.1
98.19839	17.2
99.00888	9.4
99.21180	7.6
101.02443	100.0
113.02462	48.4
119.03492	19.9
131.03523	42.1
149.04550	33.6
151.06126	12.5
161.04576	19.6
161.26651	7.7
179.05637	49.3
188.86183	7.1
191.05634	8.6
221.06673	22.1
276.45325	8.1
309.08112	10.3
311.09961	11.6
347.07465	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.3
59.01379	100.0
60.01723	1.3
71.01382	6.6
71.63227	1.1
72.99303	1.4
73.02934	2.3
83.01404	1.0
85.02945	3.7
87.00869	1.2
101.02428	4.5
105.01969	0.9
113.02436	1.6
123.85339	0.8
125.24534	0.8
139.11281	1.0
147.02931	1.0
151.03946	1.4
161.04579	2.2
189.09314	0.8
191.59705	1.0
267.91660	0.8
271.20325	0.8
299.25766	1.3
303.18124	4.7
345.22650	3.3
345.30124	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	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01876	2.1
57.03444	2.2
58.00591	3.9
59.01382	100.0
60.01705	1.6
66.16251	1.1
71.01385	52.9
72.99303	4.6
73.02939	2.9
83.01384	4.0
83.05022	1.2
85.02948	11.8
87.00884	2.0
89.02452	50.2
90.02780	1.4
95.01382	4.8
99.00900	1.5
101.02448	38.4
113.02449	18.6
119.01424	1.4
119.03509	25.1
121.10232	15.4
125.92455	1.2
131.03448	2.0
135.04568	1.9
143.03477	1.2
147.00868	2.6
161.04543	2.7
165.09195	16.3
179.03532	1.2
179.05595	1.8
183.10251	4.1
229.16728	1.2
345.15536	60.4
346.15976	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	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	40.0
61.98824	9.2
69.48763	75.0
69.49080	12.0
72.26126	9.6
78.95913	10.7
86.01866	8.9
93.03451	18.9
97.02942	23.8
98.39560	10.5
135.04507	15.8
161.02475	15.1
163.76877	12.8
181.04965	11.2
200.27750	9.5
220.22710	9.6
220.88121	10.1
234.70876	12.3
257.15512	11.2
291.19528	14.1
309.20712	100.0
345.20535	10.4
345.24432	14.3
348.50827	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.3
70.74883	2.4
91.33070	0.6
93.03455	5.7
96.65338	0.6
97.55542	0.7
113.99443	0.6
121.02959	30.0
122.03281	0.7
123.04527	100.0
124.04893	5.4
130.33221	0.7
168.87199	0.7
169.28024	0.7
176.05875	0.7
215.43176	0.7
245.99979	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	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	97.2
70.13012	1.3
70.13353	3.9
71.01366	4.7
73.02922	1.5
78.95908	3.5
83.77036	1.1
91.04843	1.0
92.49557	1.0
95.05027	2.0
96.96951	1.7
101.02480	1.8
101.72659	1.1
104.99172	0.9
113.02468	1.7
123.04530	100.0
124.04868	3.9
149.02470	1.2
161.04561	4.0
177.54199	1.2
204.20441	0.8
285.09665	1.3
329.06525	1.2
339.48624	1.1
346.05734	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	344.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55979	1.8
56.62580	1.8
59.01381	26.4
71.01389	26.3
71.05437	3.7
72.00915	12.2
72.99306	7.3
73.02940	1.8
85.02952	3.1
87.00826	2.4
89.02448	25.0
94.03794	2.5
101.02442	6.8
104.92841	2.0
113.02438	6.5
119.03507	5.6
119.05020	21.3
120.05382	18.9
135.04488	5.8
136.04836	8.0
147.04527	41.9
148.16899	1.8
163.03998	14.0
164.04388	19.9
164.07175	100.0
165.01901	6.2
165.07510	4.7
179.05586	4.6
181.05061	16.9
182.05424	30.1
224.96022	1.9
300.11932	2.0
344.10620	27.5
345.11334	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	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.89386	0.6
56.43466	0.7
59.01367	2.6
67.41044	0.7
69.03442	2.4
82.15966	0.6
83.05039	1.8
84.64117	0.7
97.06593	1.2
99.08157	10.8
121.10236	1.2
125.09691	1.6
133.02960	0.8
135.04521	2.0
137.09737	1.3
161.02455	2.6
171.10258	11.3
175.11298	1.6
179.03529	0.7
184.46329	0.7
185.95906	0.7
193.12329	18.6
194.12639	1.3
197.15446	0.8
208.40852	0.6
211.13338	3.5
225.14954	24.7
226.15315	2.0
233.13660	0.6
243.16035	9.3
293.21240	2.7
311.22275	1.4
328.64865	0.7
343.11780	2.3
343.24875	100.0
344.12711	0.7
344.25290	13.5
344.29300	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	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
67.44970	0.8
69.03453	1.5
71.65820	0.9
74.32774	0.8
77.87052	0.8
83.04986	1.3
87.26515	0.8
99.08142	4.5
121.10220	4.3
123.28539	1.1
133.02901	1.1
135.04564	1.2
137.09740	1.1
139.11285	1.8
153.09184	1.1
161.02412	2.8
171.10268	34.2
172.10593	1.8
193.12343	7.6
211.13449	1.4
225.14922	10.8
226.15244	0.9
243.15935	4.1
255.03415	0.9
289.18045	2.8
293.21115	2.8
343.24869	100.0
344.25229	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	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
67.44970	0.8
69.03453	1.5
71.65820	0.9
74.32774	0.8
77.87052	0.8
83.04986	1.3
87.26515	0.8
99.08142	4.5
121.10220	4.3
123.28539	1.1
133.02901	1.1
135.04564	1.2
137.09740	1.1
139.11285	1.8
153.09184	1.1
161.02412	2.8
171.10268	34.2
172.10593	1.8
193.12343	7.6
211.13449	1.4
225.14922	10.8
226.15244	0.9
243.15935	4.1
255.03415	0.9
289.18045	2.8
293.21115	2.8
343.24869	100.0
344.25229	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	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01382	100.0
60.01714	1.4
61.77423	0.6
69.34299	5.2
71.01377	6.3
72.99327	2.5
73.02945	0.6
75.49971	0.5
76.54989	0.5
83.05040	0.6
85.02987	1.6
87.04523	0.9
89.02450	7.2
93.03465	0.7
101.02461	2.8
109.02950	2.5
113.02480	2.2
119.03555	2.5
119.05048	0.7
121.02972	0.7
123.04548	0.7
127.00395	0.8
133.02954	4.3
135.04532	6.0
137.02431	0.8
145.02983	2.2
157.01468	1.1
159.04518	0.7
161.02451	10.6
161.04529	0.8
163.04042	0.9
171.10316	1.4
179.03543	1.7
179.05585	1.0
181.05165	1.7
185.11829	0.6
197.04541	0.9
224.04990	0.7
227.13005	1.0
267.06674	2.5
269.08197	0.6
270.36801	0.7
293.04520	0.7
311.05710	1.9
343.08496	1.9
343.21262	7.5
344.21744	0.8
348.06464	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03442	2.0
59.01379	100.0
60.01683	1.0
69.48596	6.6
71.01386	2.8
71.05024	0.8
72.99307	2.4
74.20454	0.7
79.09846	0.6
80.49814	0.7
83.05047	1.3
83.76992	0.9
84.02159	2.0
85.02945	6.4
93.03439	1.4
95.05034	1.0
97.06588	6.2
98.19846	0.9
101.06080	0.8
109.02933	3.3
109.06571	1.3
113.98668	0.8
119.05025	7.5
123.08170	3.1
133.02957	8.1
134.03717	0.8
135.04520	17.4
136.04848	0.9
137.02417	1.7
137.09698	2.6
145.02951	1.5
149.00984	0.8
149.02466	1.5
149.09714	1.2
149.13275	1.1
161.02446	34.4
162.02805	2.2
163.04033	6.4
165.12894	5.7
167.10757	5.5
171.10255	1.0
177.09203	0.9
179.03484	6.3
181.05051	11.3
182.05429	1.0
183.13872	2.0
185.11830	1.0
193.12343	1.5
208.56233	0.7
209.11841	1.5
211.13409	2.4
229.14497	1.5
247.16962	1.3
265.18015	0.8
269.08167	1.5
325.20258	5.3
343.21222	87.2
344.21542	10.1
350.92078	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	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10377	0.7
58.00605	1.0
59.01085	1.5
59.01384	23.3
67.16879	0.8
70.14567	2.2
71.01384	12.6
72.99304	2.6
75.00872	1.2
85.02965	2.1
87.00877	0.9
89.02449	8.9
93.03489	1.5
95.01350	1.0
101.02448	6.6
113.02467	2.7
119.03546	3.4
119.05030	100.0
119.64542	0.7
120.05362	3.6
121.02956	1.1
129.92101	0.7
135.04521	9.4
137.06113	1.4
163.04019	92.3
164.04369	5.7
166.20444	0.8
173.26291	1.0
181.05077	22.2
182.05415	1.5
185.08072	1.1
223.06097	1.0
261.82648	0.8
327.04666	1.0
343.10327	70.5
344.10620	6.4
357.97540	0.8
366.14081	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61976	0.8
59.01380	100.0
60.01699	2.5
71.01385	5.7
71.62402	1.2
72.99294	1.0
73.02937	0.9
79.75282	0.8
89.02451	6.7
101.02431	2.2
104.28281	0.8
109.02929	2.0
113.02429	1.5
119.03479	2.9
119.05019	1.1
133.02950	2.1
135.04553	1.2
137.02400	1.0
145.02890	1.4
161.02458	5.6
169.90202	0.9
174.03349	1.0
177.01932	1.0
179.05598	1.0
207.06573	1.0
234.09909	0.9
276.43451	1.0
299.73047	0.9
343.07956	1.9
343.21304	1.5
347.19800	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	343.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28445	0.4
59.01384	0.8
62.05788	0.3
72.99304	3.2
99.23158	0.3
104.72398	0.3
104.73108	0.3
107.05045	0.4
117.03424	0.3
119.05030	8.5
120.05367	0.7
132.02159	1.4
133.02956	25.2
134.03435	0.8
134.37619	0.3
135.04524	14.8
136.04866	0.8
161.02443	100.0
162.02773	5.5
163.04005	14.0
164.04411	0.9
179.03552	1.8
181.05060	34.4
182.05379	2.2
232.73543	0.3
343.08167	0.8
343.15222	0.4
343.28424	0.4
364.55035	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	343.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69503	0.4
69.64556	2.3
69.64968	0.7
72.99296	2.7
94.18124	0.5
119.05029	6.2
132.02159	0.5
133.02960	15.7
135.04523	11.9
136.04829	0.9
161.02441	100.0
162.02780	5.3
163.04004	12.8
164.04387	0.5
179.03499	1.6
181.05064	38.7
182.05406	1.6
221.92331	0.5
343.08142	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	343.1034
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
51.33337	0.9
58.00582	1.4
59.01091	1.6
59.01382	23.4
68.66940	0.7
69.84399	1.9
69.84804	2.7
71.01386	12.9
72.99311	2.4
75.00883	1.3
80.54821	0.7
85.02947	2.7
89.02441	9.0
95.01382	1.0
96.67338	0.9
98.20622	1.0
101.02446	6.7
113.02458	3.2
119.03557	2.9
119.05028	100.0
120.05370	4.5
121.02972	1.1
135.04532	8.5
163.04012	95.9
164.04359	5.6
167.33061	0.8
177.05551	1.2
181.05058	24.7
182.05351	1.4
204.11006	0.8
223.06082	1.3
295.43332	0.8
343.10318	72.0
344.10623	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	343.082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.8
59.62386	0.3
63.97057	0.2
65.78500	0.2
71.65615	0.3
72.99310	3.5
93.03442	0.3
97.57351	0.3
105.03444	0.6
105.99387	0.3
107.05032	0.7
109.02923	0.3
119.05030	8.5
120.05412	0.5
121.02984	0.4
132.02150	1.5
133.02962	25.8
134.03612	1.2
135.04530	13.6
136.04866	0.7
161.02449	100.0
162.02795	6.4
163.04008	15.1
164.04402	0.5
179.03476	2.0
181.05070	35.9
182.05368	2.0
213.18687	0.4
222.46587	0.3
259.66840	0.3
281.49231	0.3
343.08276	0.6
343.28470	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
64.58422	0.5
69.03458	2.3
69.48017	3.7
83.05019	1.3
84.02158	4.7
97.02935	1.4
97.06590	12.0
99.04518	1.1
111.08121	0.6
117.32008	0.5
119.08650	0.6
125.09718	2.1
135.08182	0.5
137.09708	1.4
144.96448	0.6
151.20967	0.5
165.12798	1.1
171.10251	15.3
172.10582	1.0
175.11211	1.6
177.12874	0.7
185.11815	0.6
193.12317	15.0
194.12663	1.5
197.15431	0.9
211.13319	3.6
221.11841	1.2
225.14957	21.2
226.15356	2.0
238.12166	0.6
242.65858	0.6
243.13608	1.1
243.15987	12.2
244.16182	0.6
253.14403	1.4
291.19659	2.3
305.21277	0.9
323.22333	0.7
341.23297	100.0
342.23618	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	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02985	0.1
52.49920	0.1
53.80121	0.1
59.01381	86.8
60.01714	0.9
61.98832	1.4
64.54683	0.2
69.89900	0.5
69.90322	0.4
70.21883	0.2
90.63017	0.2
92.97398	0.2
113.04599	0.2
115.02525	0.3
117.00443	0.3
156.90846	0.3
157.03566	5.5
158.03743	0.3
159.01495	3.8
160.01672	0.3
201.02548	100.0
201.89282	0.3
202.02701	9.5
340.43274	0.2
343.03735	1.9
344.03922	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13075	0.9
57.03453	1.3
59.01378	7.2
69.03447	3.5
69.41366	8.3
71.01379	4.1
83.89220	0.9
84.02168	21.3
86.84965	1.0
89.02454	5.5
97.02968	7.5
98.20626	2.1
99.04510	4.7
101.02437	2.6
113.02533	1.1
119.03512	1.4
119.08665	2.6
125.09706	1.8
127.11287	1.7
133.02962	1.2
135.04529	3.6
135.08165	3.0
137.09737	5.2
157.12308	1.4
161.02426	2.0
168.16112	1.0
171.10268	66.9
172.10600	3.9
179.03465	2.6
179.05707	1.7
197.02763	3.6
249.78725	1.0
252.86961	1.1
253.08769	1.2
268.55014	1.1
277.87836	1.0
291.19568	1.5
297.27975	1.2
341.14368	2.7
341.18246	5.8
341.23318	100.0
341.26776	5.6
342.23627	15.0
342.27338	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88229	1.6
55.01897	1.9
57.03447	6.0
59.01378	20.5
67.01876	2.4
69.03468	3.4
71.01382	6.3
71.05025	31.1
73.02921	2.2
80.02675	2.2
81.03458	31.9
82.03778	2.0
83.05020	19.9
84.02174	2.0
84.05408	1.5
85.02956	3.1
87.04489	2.3
89.02457	7.1
95.05038	15.0
97.02942	6.3
97.05389	1.6
97.06599	2.9
98.20629	4.8
99.04516	34.5
101.02467	4.1
101.06080	3.5
107.05079	1.7
108.02176	2.5
109.02966	6.3
109.06619	9.3
110.03741	2.2
110.25877	1.6
111.04546	6.2
113.02448	3.0
119.03493	2.5
121.02943	2.6
121.06589	2.7
122.03726	1.5
123.04509	2.9
123.08170	4.9
125.09785	1.7
125.37551	1.6
127.07626	1.8
133.02887	3.8
133.06615	2.8
135.04518	9.4
135.08118	2.4
137.09724	1.9
145.03003	1.9
149.02446	8.4
150.03189	1.9
151.07622	12.6
153.09200	4.9
159.04521	1.9
161.02457	13.4
161.06050	1.6
162.05618	1.8
165.09247	2.6
165.12773	2.3
171.10265	30.8
171.11664	3.3
172.10641	2.1
175.11301	1.9
179.03505	8.1
179.05624	2.4
189.12848	3.8
191.14420	5.6
193.12309	17.1
199.13419	2.3
205.28314	1.6
207.13927	1.8
211.07549	2.1
211.13438	3.7
221.11763	2.0
233.11821	2.3
235.13393	44.9
236.13770	4.0
237.14964	2.1
239.12921	2.5
243.17511	5.0
249.14952	2.7
253.14438	100.0
254.08209	3.0
254.14723	8.1
266.84991	1.9
267.06528	5.6
268.06998	2.3
282.04968	1.8
283.09747	2.9
287.16547	25.0
288.16727	2.9
305.17575	11.7
315.01135	1.8
316.60580	1.9
323.18698	5.5
323.77252	1.6
327.08719	3.7
341.06607	4.5
341.10654	6.4
341.15906	1.6
341.19409	10.5
342.09930	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25941	2.0
56.43169	2.5
57.03455	5.2
58.31884	1.9
59.01382	18.4
59.86499	1.7
64.38387	2.0
65.66472	1.8
67.01902	2.7
69.03466	5.5
71.01382	6.2
71.05022	35.3
73.02948	2.9
80.02713	1.9
81.03459	32.8
83.05019	20.8
85.02963	5.3
89.02438	5.5
93.03462	3.0
95.05022	12.8
97.02954	7.2
99.04517	33.0
101.02460	2.8
101.06097	3.4
109.02954	6.6
109.06567	9.2
109.28713	2.1
109.29583	2.1
111.04520	8.7
113.02446	2.0
119.03487	3.0
121.06619	2.6
123.04536	2.9
123.08152	2.7
133.02943	3.0
133.06529	1.9
135.04514	11.1
135.08076	2.7
139.07614	2.5
141.03938	2.2
141.09285	2.5
149.02437	2.3
151.07639	11.7
153.09187	3.9
155.10789	2.8
159.47346	2.0
161.02443	12.5
161.06030	2.5
168.89917	2.1
171.10263	37.3
172.10634	2.1
179.03485	7.4
185.11794	2.3
189.12839	4.8
191.14429	6.9
193.12341	23.5
194.49754	2.1
199.13365	3.5
207.13940	4.0
209.11858	2.4
211.13297	3.8
225.14847	2.6
233.11752	3.6
235.13376	48.3
236.13779	5.1
243.17467	7.1
249.15016	2.9
253.14449	100.0
254.14798	9.1
267.06519	4.3
287.16528	27.6
288.16995	2.9
305.17563	16.1
323.18582	9.1
341.06430	7.0
341.10718	4.9
341.19492	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	341.1239
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03444	0.8
59.01380	9.5
62.43586	0.6
69.03456	5.8
71.01392	3.2
72.99297	1.6
85.02970	1.2
87.00865	3.9
89.02441	4.9
94.38209	0.7
97.85196	0.6
98.20605	2.0
101.02468	2.0
109.02941	1.1
111.61579	0.7
112.98804	1.3
113.02478	1.7
119.03516	1.3
122.06135	1.0
132.04546	1.5
133.02927	1.2
134.06029	0.6
135.04562	3.1
137.02449	2.1
139.07637	0.7
149.00922	10.0
152.07167	1.7
161.02477	3.6
161.04532	1.2
163.03996	2.2
164.04791	100.0
165.05144	6.2
165.12852	2.0
177.02013	0.7
179.03619	2.8
179.07137	89.1
180.07457	5.8
184.10771	0.6
186.88640	0.6
209.11816	12.5
210.11983	0.7
253.05125	1.0
297.12195	0.7
341.02814	0.7
341.06464	2.7
341.11374	5.5
341.19315	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	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
58.00587	1.8
59.01381	100.0
60.01730	1.6
65.23442	1.1
69.03472	2.5
69.84891	1.7
69.85300	3.8
71.01382	46.4
72.01750	1.1
72.99318	1.4
73.02950	72.9
75.00880	1.1
83.01389	18.7
85.02961	4.3
87.00877	2.3
88.17033	0.9
89.02452	16.9
93.03454	2.5
95.01363	1.4
97.02951	1.2
101.02446	51.8
102.02808	1.5
107.05049	1.9
108.02150	1.0
113.02445	12.4
119.03506	4.2
119.05035	21.1
123.03292	1.4
125.02444	3.1
131.03493	4.6
135.04544	3.8
137.02419	1.3
137.06084	3.2
138.05608	29.0
138.06593	2.1
143.03516	3.7
146.18628	1.1
149.04518	1.6
155.03484	2.0
161.02473	1.7
161.04514	7.6
179.03513	4.2
179.05598	2.7
179.10802	2.0
180.06749	1.8
193.06462	1.7
219.04459	1.4
221.06136	1.6
226.06744	1.0
235.03970	3.4
236.04700	2.5
237.05507	2.7
241.05150	2.0
243.02901	1.7
247.04010	7.7
248.04538	2.9
249.05527	5.2
253.05066	8.0
253.08595	1.5
254.05721	2.7
265.05060	21.9
265.07791	2.2
266.05600	2.2
267.93732	1.0
269.04776	1.8
277.23062	1.1
281.04578	4.2
291.02985	17.3
292.03635	3.7
293.04504	10.9
294.04843	1.5
299.11298	1.6
307.16937	1.0
309.04163	5.3
310.04605	2.4
311.05496	5.2
323.05634	4.7
341.06662	84.0
341.11703	4.2
342.06949	10.1
342.11346	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	341.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11370	1.1
55.01916	1.0
57.03437	1.8
58.00584	1.0
59.01382	100.0
62.30381	1.0
69.46636	9.2
71.01384	39.6
72.99315	2.3
73.02946	27.5
75.00874	3.1
81.03469	3.8
83.01394	7.2
83.05033	3.2
85.02955	10.5
87.00908	1.5
89.02443	23.9
93.03460	3.5
95.01401	2.4
95.05054	6.4
99.00887	1.7
101.02447	23.7
109.02952	7.0
109.06592	8.8
109.81916	1.2
111.04514	3.6
113.02451	17.7
119.03519	8.0
119.05028	30.3
120.05310	1.5
121.02956	1.3
123.04532	1.3
123.08184	1.5
131.03514	2.2
135.04527	28.3
135.08174	5.1
137.02446	26.5
137.06059	1.3
138.02835	1.3
138.05602	3.8
141.05573	4.1
143.03520	1.1
145.04225	1.2
159.08047	1.0
161.02446	2.4
161.04601	5.3
161.05782	1.2
163.04001	3.6
175.11189	1.8
177.01945	4.5
177.04085	2.5
177.09215	14.0
178.02310	2.6
179.03543	23.5
179.05623	4.4
179.07066	2.0
180.03912	1.9
195.05067	4.4
195.10258	15.4
197.06142	1.2
219.10249	3.3
221.04671	1.1
221.08192	4.4
239.09227	32.7
240.09605	2.6
263.09259	4.2
278.02130	1.1
281.10254	12.3
282.10690	1.4
292.27390	1.0
297.04065	1.4
299.11346	2.6
328.29944	1.0
341.08017	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	341.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33997	1.0
55.01870	1.6
57.03431	1.7
58.00584	3.6
59.01382	100.0
60.01702	1.3
60.02306	0.9
62.39662	1.0
69.03442	1.3
69.48125	6.9
69.48548	2.2
70.61178	1.0
71.01385	62.9
72.99308	7.6
73.02946	17.1
79.95741	1.3
81.03455	1.7
83.01404	6.3
85.02955	15.5
87.00875	5.6
89.02445	57.1
89.89832	1.0
93.03465	8.3
95.01386	4.7
99.00860	1.8
99.04549	1.3
99.27354	1.0
101.02444	33.7
107.05013	1.3
108.02200	1.4
109.02950	5.8
109.03587	1.0
113.02458	26.0
119.03510	22.4
119.04995	11.6
121.02909	1.3
123.04503	5.6
131.03482	3.1
131.05005	1.9
133.02988	5.0
134.03714	4.3
135.04530	38.3
136.04848	3.0
137.02443	12.8
138.05571	3.9
143.03455	5.9
149.04495	2.4
159.02933	0.9
161.02466	12.6
161.04546	7.7
179.03488	36.4
179.05579	16.2
179.53693	2.5
180.03806	2.1
193.05005	2.0
197.04451	1.6
197.06155	1.0
209.08186	5.6
223.45677	1.0
224.04724	1.0
225.05482	1.3
241.04927	1.1
253.08652	11.4
281.07016	1.3
281.10272	3.5
297.04227	1.8
297.07712	4.8
341.02841	1.4
341.06967	1.6
341.10898	12.0
341.15936	2.5
359.07443	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	341.1088
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01881	0.8
57.03447	1.5
58.00597	3.7
59.01381	100.0
60.01715	0.8
69.32204	4.8
71.01385	72.8
71.62547	0.5
72.01734	1.3
72.99303	3.5
73.02948	2.0
75.00883	0.5
83.01392	2.1
85.02955	10.3
87.00874	4.8
89.02447	91.5
90.02763	0.9
95.01386	4.5
97.02916	0.6
97.42136	0.5
98.20732	0.7
98.30367	0.5
99.00883	0.9
101.02444	33.2
102.02802	0.7
107.03535	0.6
113.02451	25.8
114.02807	0.5
116.53405	0.5
119.03503	30.1
120.03828	0.8
125.02469	1.1
131.03516	5.1
143.03505	8.5
149.04568	3.4
161.04556	11.8
179.05614	31.3
180.05963	1.5
253.11494	0.4
267.07114	0.7
281.08868	0.6
341.10892	38.8
342.11176	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	341.1088
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01863	1.2
57.03447	1.5
58.00583	3.5
59.01379	100.0
60.01709	1.3
62.04779	1.0
70.02730	2.7
70.03149	1.6
71.01383	68.5
72.01730	0.9
72.99309	4.2
73.02943	2.0
83.01414	1.2
85.02943	10.2
87.00871	6.3
88.55631	0.8
89.02445	83.5
90.02782	1.8
92.70065	0.8
95.01379	4.5
100.56924	0.8
101.02445	34.8
102.02782	1.1
107.03514	0.9
113.02445	27.6
119.03503	29.7
120.03819	0.9
120.47845	0.8
125.02444	1.2
131.03499	3.5
133.02969	2.1
135.04527	3.2
143.03516	8.8
149.04553	2.3
161.02478	9.0
161.04538	11.3
179.03528	2.9
179.05612	35.2
180.06027	1.4
309.83664	1.0
337.63107	0.9
341.10901	38.1
342.11227	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	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01380	33.6
68.33506	0.6
70.05491	1.8
71.01389	7.2
72.99313	0.6
73.02950	1.9
75.00888	1.4
76.37189	0.5
81.03470	2.7
83.01396	1.8
83.05049	2.3
85.02955	1.6
87.00891	0.6
89.02438	5.2
93.03461	1.9
95.05040	3.5
97.06557	0.6
101.02461	2.9
107.05016	1.2
108.48624	0.6
109.02960	4.4
109.06594	5.0
111.00848	0.6
111.04506	2.5
113.02448	1.9
119.03528	1.6
119.05016	3.4
123.04546	0.6
123.08197	0.9
124.50286	0.5
129.01933	0.8
133.02942	0.6
134.03777	3.3
135.04527	98.9
135.08099	3.4
136.04849	5.3
137.02457	2.1
141.05579	2.5
143.03496	0.5
151.11293	0.6
161.02415	1.6
161.04564	0.9
163.04016	1.7
167.49829	0.6
175.07652	0.9
175.11270	1.3
177.04059	2.3
177.09212	8.2
178.09544	0.9
179.03499	100.0
180.03821	5.7
195.05104	3.1
195.10266	10.9
196.10657	0.9
219.10219	2.4
221.08159	2.2
239.06815	1.0
239.09227	17.2
240.09663	1.1
253.08621	0.9
263.09229	4.3
281.10367	1.1
341.08566	13.4
342.09210	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	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84309	1.4
59.01089	1.5
59.01380	18.0
69.51674	10.8
71.01383	11.4
72.75518	1.4
72.99319	2.7
73.02945	3.5
75.00855	2.1
89.02445	12.0
93.03461	33.6
101.02425	4.9
105.89180	1.6
107.05040	1.5
109.02953	1.4
113.02440	4.9
114.05569	1.8
118.98074	1.7
119.03500	4.4
121.02945	5.3
133.02956	6.0
135.04533	22.4
137.02448	56.7
138.02861	1.8
143.03481	2.2
145.02910	1.9
151.03987	5.3
161.02484	14.2
164.04787	49.4
165.05051	2.6
176.46306	1.5
179.03531	22.1
179.05627	4.2
179.07108	44.7
180.03917	2.0
180.07532	2.1
192.52841	1.6
193.06458	2.2
209.06023	2.6
235.03928	5.3
236.04683	2.0
237.05508	3.9
241.05083	3.0
247.03960	10.4
248.04588	2.8
249.05525	6.1
251.03618	2.1
253.05185	9.1
254.05742	3.1
263.03326	3.3
263.65207	1.5
264.03931	1.5
265.05042	26.2
266.05496	2.1
269.04529	3.4
281.04514	5.4
291.03033	16.4
292.03482	4.2
293.04578	11.6
297.07980	1.3
309.04016	7.2
310.04651	4.6
311.05444	4.4
323.05563	3.6
341.06610	100.0
341.10953	5.4
342.06964	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77428	0.5
59.01382	11.1
68.61942	0.5
70.02647	2.8
71.01389	8.3
72.99315	0.7
73.02946	1.5
83.01410	1.1
85.02967	0.9
89.02450	8.3
93.03463	66.0
94.03807	1.4
101.02448	3.4
107.05030	1.6
113.02445	2.1
119.03514	2.2
121.02967	6.5
123.04530	1.1
133.02962	2.1
135.04520	4.1
137.02452	100.0
138.02809	5.0
139.87666	0.7
149.02400	1.9
151.04012	16.0
161.02470	7.8
161.04558	1.6
179.03528	14.1
179.05592	3.0
179.07024	0.8
180.03847	1.3
181.01375	0.7
221.04497	0.7
226.02538	0.6
231.88933	0.6
265.05157	0.8
341.06506	1.5
341.11557	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	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01375	2.0
66.45548	0.3
68.55902	0.4
70.44669	0.9
71.01389	1.6
89.02464	1.3
98.19863	0.5
101.02454	0.7
107.05042	1.2
113.02449	0.5
117.65835	0.4
119.03529	0.5
120.34719	0.4
120.98810	0.3
133.02893	0.4
134.03777	2.1
135.04533	87.0
136.04860	5.1
161.02469	1.3
167.18245	0.3
178.02740	0.6
179.03508	100.0
180.03857	6.3
188.24490	0.4
202.37801	0.4
268.26614	0.3
281.06549	0.9
326.44687	0.4
341.08688	11.3
342.08981	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.8
59.94568	0.9
71.01384	10.9
71.39569	1.9
72.99317	1.5
73.02969	1.1
74.10153	0.7
77.03996	1.0
81.83218	0.8
83.01400	1.3
85.02965	1.6
87.00873	0.9
89.02447	11.9
93.03455	4.8
95.04994	0.8
101.02457	7.6
107.05038	14.4
108.02151	1.3
109.02961	10.4
113.02469	4.1
116.92838	1.3
117.03388	1.2
119.03497	4.1
119.04999	2.7
121.02982	4.4
131.05031	2.0
133.02948	3.2
134.03751	1.8
135.04532	36.7
136.04852	2.6
136.17551	1.0
137.02475	1.6
137.06076	0.9
143.03461	1.5
143.05089	2.0
145.02989	2.7
147.04558	1.1
151.04086	1.5
152.36789	0.9
159.04506	3.6
161.02449	6.5
161.04570	2.2
179.03497	100.0
180.03841	6.6
187.04005	2.3
201.78352	0.9
211.07562	1.3
235.07607	1.3
237.05510	1.6
238.06267	2.0
239.07184	1.1
251.07149	4.0
253.08710	19.4
254.09023	2.1
259.54660	0.8
265.04874	1.0
279.72852	0.9
281.04413	1.6
297.07568	10.1
299.11292	1.3
309.04102	2.2
341.06824	2.6
341.11578	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	341.0877
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01376	9.9
67.57651	0.5
69.33383	4.4
69.33789	1.2
71.01382	6.9
72.99312	0.8
73.02922	0.5
75.00850	0.6
81.38840	0.5
84.48439	0.6
85.02959	1.4
89.02452	5.5
95.01366	0.5
98.20613	1.1
101.02431	3.3
113.02470	2.1
114.20073	0.6
119.03519	1.7
119.05022	1.8
129.01904	1.1
132.02174	1.4
133.02957	25.8
133.03983	1.3
134.03246	0.7
135.04520	15.7
137.02400	1.3
143.03534	0.8
149.06073	1.0
161.02444	100.0
162.02806	4.9
163.04037	2.4
177.01926	0.5
177.04112	0.7
177.05560	1.3
179.03508	22.1
179.05565	1.6
180.03839	1.4
195.05074	2.2
203.03497	1.9
217.54482	0.5
221.04570	1.9
251.05765	0.6
281.06622	2.4
341.08530	12.1
342.09027	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	341.0665
Annotation	(+)-Megacerotonic acid
Peak:m/z	Relative Intensity
58.00598	1.4
59.01384	24.1
64.51793	0.8
71.01389	17.6
71.64177	1.3
72.99310	2.2
73.02950	2.9
73.43583	0.8
76.46794	0.9
78.95929	2.2
81.03469	1.3
83.01389	2.1
85.02942	5.4
87.00865	1.1
89.02460	10.2
93.03466	17.1
95.01411	2.3
99.00935	0.9
101.02457	9.4
104.69997	1.0
106.69157	0.8
107.05045	5.1
108.02157	7.2
109.02953	49.9
110.03310	1.6
113.02462	10.1
116.92122	1.0
116.92881	0.9
117.03493	1.8
119.03532	5.0
119.05032	9.4
121.02951	1.8
123.04535	1.2
130.04266	2.8
131.03519	1.4
131.05077	4.3
131.44492	1.1
131.54359	0.9
133.02959	6.8
135.04532	12.0
143.03603	1.8
143.05038	11.3
145.02943	3.3
146.03761	3.0
147.04530	3.4
152.99593	1.2
158.03812	1.2
159.04524	8.6
161.02475	4.4
161.04594	2.6
165.89281	0.9
169.06621	1.0
179.03510	22.5
179.05568	2.6
181.06508	1.0
183.08176	1.6
187.04002	1.2
190.02814	1.1
191.03542	1.0
196.05389	1.5
197.09702	1.2
207.08073	1.4
209.06049	2.0
210.06798	1.2
211.07668	8.7
213.05450	1.0
223.07785	1.3
224.08339	1.0
225.05566	3.0
225.09265	1.2
234.06967	1.0
235.07686	6.0
237.05540	3.2
238.06305	10.4
238.08492	1.1
239.06740	1.1
250.06323	2.0
251.07158	19.4
252.07617	3.3
253.08696	100.0
254.09009	8.0
257.45502	0.8
281.10458	1.7
297.07678	36.7
298.07935	4.5
309.04144	1.4
341.06696	3.3
341.11230	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	341.0666
Annotation	Boeravinone D
Peak:m/z	Relative Intensity
57.03431	0.5
57.72279	0.5
58.00577	0.5
59.01382	17.2
70.01020	2.8
71.01385	11.5
72.99306	1.2
73.02952	7.1
78.95889	0.6
83.01400	1.1
85.02949	1.2
85.73493	0.5
87.00877	0.7
89.02451	8.6
91.53360	0.4
92.71532	0.5
93.03454	1.3
95.01402	0.9
98.20512	0.7
101.02444	7.8
109.02968	1.1
113.02464	3.7
119.03486	3.3
119.05025	2.0
123.03313	0.5
123.04558	0.5
131.03496	0.9
133.02943	1.5
135.04532	4.9
137.02414	2.7
138.05618	5.3
142.63295	0.5
143.03497	1.1
161.02472	4.0
161.04576	1.8
161.41330	0.5
179.03528	5.4
179.05592	3.0
180.06859	1.1
193.06581	0.9
197.02824	0.5
197.06075	0.7
199.48166	0.5
209.06075	1.9
219.04556	0.8
221.06010	2.3
223.04056	0.9
224.04807	1.0
225.05554	2.2
227.03500	1.2
235.04019	4.4
236.04785	2.5
237.05534	4.1
238.02687	0.5
238.06285	0.6
239.07117	0.7
241.05026	2.1
242.05762	0.9
243.03000	1.4
247.03976	10.7
248.04655	2.6
249.05533	5.3
250.05983	0.9
251.03380	1.0
252.04260	1.8
253.05038	10.6
253.08871	0.7
254.05791	2.4
255.06282	0.6
263.03482	1.8
264.04227	1.2
265.05057	26.7
266.05331	2.3
267.06476	1.0
269.04321	2.3
281.04486	5.5
282.05151	0.9
286.04486	0.7
291.02988	18.3
292.03610	4.6
293.04587	13.5
294.04990	1.9
297.07550	0.9
309.04025	8.6
310.04660	3.6
311.05533	6.7
312.06107	1.0
313.07184	0.5
323.05630	3.4
341.06650	100.0
342.07019	13.1
342.11124	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	339.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01700	1.0
69.66380	5.9
71.01389	5.0
73.02924	2.4
75.00912	1.1
76.38234	1.0
77.14405	0.8
83.01389	1.2
85.02950	2.8
96.95966	1.1
99.15094	0.8
99.92604	2.3
101.02442	3.5
109.02967	2.6
113.02442	1.5
113.65045	0.8
114.02795	0.9
115.92075	1.9
116.92877	5.8
117.03390	1.1
119.05029	2.0
119.32352	1.0
131.03525	1.0
134.03716	1.3
135.04526	5.5
145.02992	5.1
148.52292	0.9
157.02884	1.1
161.04564	2.3
163.04015	2.7
175.06133	2.1
193.07289	4.2
194.67558	0.8
214.99092	0.9
229.01425	3.2
267.06586	2.6
277.05078	1.8
279.14520	3.4
294.05164	1.3
295.06042	3.5
295.11740	1.3
321.00662	1.3
339.05109	7.3
339.10925	2.5
339.14551	1.7
340.05655	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
72.04981	0.4
81.15968	0.4
97.98707	0.4
114.61999	0.4
163.11282	100.0
164.11630	7.5
183.01222	0.7
339.23273	64.6
340.23621	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	339.1601
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
68.80316	0.6
71.11561	1.1
79.73508	0.5
84.32853	0.5
96.06046	0.5
121.02953	1.1
134.03737	1.9
149.02455	2.6
149.06105	2.8
161.02422	1.8
183.01205	1.6
189.09236	0.9
197.02827	0.5
200.58994	0.5
211.11223	0.7
225.09201	77.6
226.09528	7.2
237.09180	19.4
238.09547	1.9
239.10809	1.2
240.11449	0.6
265.12299	0.5
272.10455	1.2
279.13870	0.8
295.17026	56.9
296.17371	7.8
297.79752	0.6
339.16000	100.0
339.19659	4.8
340.16321	13.4
340.20404	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	339.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.5
69.29922	2.4
71.01386	0.4
81.03450	0.5
89.03967	2.3
93.03459	0.3
99.92560	0.3
101.02470	0.4
105.03456	3.2
107.01443	0.4
113.02468	0.2
119.05013	0.5
120.45199	0.2
125.94630	0.2
133.02962	8.1
134.03316	0.4
135.04565	0.3
149.02441	1.1
161.02568	0.3
163.03979	0.3
176.01132	0.6
177.01933	100.0
178.02278	5.7
179.03568	0.2
238.56058	0.2
279.14398	0.3
339.07278	2.7
339.15411	0.6
339.96759	0.3
340.07788	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	339.1237
Annotation	Obovaten
Peak:m/z	Relative Intensity
59.01375	2.8
59.26813	0.9
67.35881	0.8
71.63021	1.3
72.79492	0.7
109.02950	2.3
117.03471	2.1
118.47138	0.7
119.05027	2.7
120.08039	0.9
135.04507	2.5
135.08162	1.7
145.02974	6.5
146.03691	1.0
157.02965	1.9
159.04521	1.1
161.02455	2.7
163.03918	1.9
166.52870	0.9
175.04031	1.1
177.05693	0.9
178.57855	0.9
179.03487	1.8
179.07146	1.1
179.08563	0.9
185.02409	1.3
191.08739	1.6
193.06572	1.7
206.07220	1.2
207.08189	4.9
217.06572	1.9
218.07256	1.0
219.08163	2.8
221.06013	3.3
223.07620	1.0
224.04755	1.6
225.05632	1.4
225.09259	1.3
229.01431	4.5
233.06021	1.5
234.06805	1.5
235.07631	7.9
236.07797	1.0
237.05481	1.1
237.09076	1.9
238.06226	1.2
239.07018	2.3
245.06087	2.7
246.06857	2.9
247.07574	3.1
249.05521	1.1
250.06271	1.2
251.07114	2.4
252.07857	1.2
253.04845	1.5
253.08705	6.1
261.05539	1.2
262.06259	2.5
263.07120	19.1
264.07684	3.6
265.08658	1.4
267.06580	3.0
268.10944	1.8
273.05566	1.5
275.07104	1.8
276.07962	1.2
277.05045	1.8
279.06573	1.6
280.07504	1.8
281.08188	32.6
282.08569	3.5
290.05759	1.1
291.06598	7.8
292.07309	3.8
293.08185	9.3
294.08881	4.5
295.06107	2.4
295.09460	2.2
296.10501	4.9
306.09140	1.1
307.09848	3.8
308.10580	7.2
309.07690	100.0
309.10880	3.9
310.08054	12.6
323.09229	25.5
324.10004	68.6
325.10370	8.3
339.05145	7.3
339.12347	61.0
339.33167	0.9
340.05447	1.8
340.12756	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	339.0719
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
50.49859	0.6
59.01367	1.7
65.03964	1.7
67.01873	0.7
70.18665	1.4
70.19077	1.0
70.53198	0.4
71.01386	0.6
80.02680	0.6
91.01898	50.6
92.02234	2.1
108.02173	1.0
109.02956	14.3
110.03279	0.6
121.02979	1.0
130.66530	0.5
133.02956	1.4
133.50871	0.5
135.00890	100.0
136.01268	3.9
137.02478	3.4
149.02373	1.3
153.01939	66.2
154.02306	2.7
161.02434	2.7
175.03955	0.8
177.01953	1.3
187.77859	0.5
189.01988	1.8
279.05139	0.7
297.06296	1.5
305.82578	0.6
339.07266	27.4
340.07645	3.0
350.71341	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	339.0501
Annotation	Salvianolic acid G
Peak:m/z	Relative Intensity
59.01385	0.5
68.69495	0.4
86.07770	0.6
93.03480	1.3
93.24797	0.5
107.01412	0.5
108.02180	1.6
109.02957	29.7
110.03294	1.3
117.03456	2.8
121.02970	4.2
129.03464	0.7
131.05023	1.7
133.02982	0.9
135.04535	1.0
137.02443	2.9
139.26317	0.5
145.02957	17.9
146.03334	0.7
147.04495	1.2
149.02449	0.7
153.51917	0.5
157.02945	16.9
158.03812	3.0
159.04510	13.5
160.04767	0.7
161.02443	1.7
163.04021	2.3
173.02412	5.8
174.03209	1.7
175.03996	7.1
181.06474	0.6
183.08073	0.8
185.02441	8.2
186.03148	1.5
187.03986	1.4
193.06577	3.4
195.08221	0.8
195.59842	0.5
196.05292	2.1
197.06062	2.5
201.01933	2.8
204.05763	0.7
205.06581	0.8
209.06104	2.1
210.06796	1.0
211.03952	0.7
211.07494	3.1
212.04765	0.6
213.01900	0.7
217.12424	0.9
219.04520	0.7
220.05231	2.0
221.06100	8.0
222.06769	2.2
223.07570	1.2
224.04776	2.7
225.05635	2.5
229.01410	71.8
230.01802	6.6
231.04453	0.7
232.05257	1.8
233.06007	1.2
235.03964	0.6
236.04787	0.8
237.05515	2.9
238.06335	3.1
239.07130	7.9
241.04863	0.7
247.03943	0.6
248.04762	4.6
249.05548	15.7
250.06320	10.4
251.06921	1.4
252.04358	1.1
253.05054	3.6
260.04785	0.8
264.04205	0.7
265.04968	5.3
266.05807	7.9
267.06616	44.6
268.06924	4.0
276.04285	2.7
277.05045	23.6
278.05743	6.8
280.03763	1.9
281.04324	0.8
292.03827	1.1
293.04550	13.0
294.05292	7.7
295.06100	43.4
296.06454	3.5
311.05658	0.9
321.04031	1.1
339.05069	100.0
340.05426	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	339.0177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17032	1.0
59.01377	6.2
71.01376	1.2
93.03465	3.7
95.05039	4.0
99.92585	38.9
100.92637	2.4
100.93374	4.1
107.31601	0.9
109.02969	6.9
110.83836	1.1
115.92082	33.1
116.92860	100.0
117.92863	4.9
117.93619	1.0
124.97002	1.2
135.04550	5.0
136.03998	2.7
136.04968	1.0
137.04735	1.0
142.94427	4.0
145.02985	3.4
145.06648	1.6
147.08151	2.8
157.02908	3.9
159.04497	5.1
161.02391	1.5
173.02454	2.1
174.93468	1.2
175.04024	1.5
178.98033	1.3
185.02460	1.5
193.06583	1.1
201.01932	2.4
221.06041	1.2
222.97044	1.9
229.01410	11.6
230.01678	1.1
233.02791	1.6
239.07071	2.7
249.05634	2.9
250.06168	1.4
251.06975	2.1
259.00601	1.9
266.05695	1.4
267.06714	6.7
277.01715	15.8
277.04987	4.8
278.01926	1.2
293.04474	2.4
295.02942	1.6
295.06131	9.6
321.00720	21.8
322.00873	3.8
324.09952	1.3
339.01657	10.4
339.05084	22.8
339.11139	2.2
340.01816	2.2
340.05554	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	338.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.8
59.01385	0.5
63.76816	0.3
69.32980	0.3
71.66438	0.4
81.03451	0.4
87.00887	1.0
95.05028	0.4
97.06599	1.0
109.02925	0.6
109.70058	0.3
128.10818	8.7
129.11079	0.3
130.08739	100.0
131.09088	3.5
135.04482	0.4
147.08130	0.4
148.05325	0.6
159.04520	0.3
161.02370	0.9
163.07651	0.4
163.11346	0.3
172.09761	1.0
175.02467	0.3
176.04390	0.3
182.66350	0.2
221.06050	0.4
229.01390	1.7
250.06398	0.4
250.14412	0.3
265.04993	0.3
267.06497	0.7
277.05127	0.7
281.33292	0.3
293.04523	0.4
295.06042	0.8
320.18802	0.3
338.19730	38.3
339.05099	3.2
339.20111	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28026	1.1
55.25748	1.2
57.03431	1.1
58.00600	5.2
59.01379	98.7
60.01715	1.6
66.76856	1.2
71.01386	50.1
71.35598	2.4
72.99314	4.5
73.02951	3.0
78.59860	1.1
83.01384	2.6
85.02951	10.2
87.00887	2.1
89.02445	53.2
90.02726	1.3
93.49693	1.1
95.01376	3.9
98.20483	1.2
101.02444	36.7
113.02446	18.3
119.03500	23.8
131.03513	2.9
139.07507	1.0
143.03479	2.3
146.82330	1.0
149.04547	2.5
149.06006	1.3
157.08694	1.6
161.04533	2.7
179.05600	3.2
181.49405	1.1
237.03763	1.1
238.49391	1.1
284.72571	1.2
337.15036	100.0
338.15445	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60634	1.0
57.03447	1.3
58.00588	4.6
59.01381	91.8
60.01710	1.8
69.69589	6.0
71.01385	48.8
72.99294	4.5
73.02939	1.4
83.01378	3.8
85.02959	11.7
87.00855	2.2
89.02445	49.0
91.35933	0.9
95.01385	4.1
101.02446	27.6
104.68529	0.9
113.02458	19.3
113.09725	1.9
119.02638	1.2
119.03500	24.7
127.00421	1.2
131.03477	1.8
132.97900	1.8
135.04526	1.4
136.07686	1.2
138.05646	1.1
143.03535	2.1
149.06046	1.4
157.08693	1.1
161.04520	2.5
179.05582	2.8
184.06252	1.1
337.15018	100.0
338.15436	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67211	0.8
51.15755	0.7
59.01379	100.0
59.03031	0.8
60.01706	1.7
63.26896	0.7
65.12465	0.7
67.01890	1.3
71.01389	1.5
85.02922	2.5
87.00871	2.3
87.04514	2.3
89.02435	1.2
93.03461	7.4
98.19885	1.3
99.00877	1.6
101.02395	1.2
107.57647	0.9
111.04527	1.1
119.05024	4.1
127.00363	1.5
135.04520	1.0
158.06128	0.9
161.04352	0.8
163.04005	2.6
173.04556	4.9
191.05609	27.2
191.07341	1.8
281.81323	0.7
337.09103	2.8
357.10886	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	337.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16434	1.2
52.58000	1.0
57.03436	1.8
58.00579	0.9
59.01384	21.0
67.01878	1.1
71.01383	12.9
71.03622	1.9
72.99305	3.9
73.02926	1.1
75.00872	15.3
83.71085	0.9
85.02956	16.8
86.02492	1.2
87.00881	7.8
87.04514	100.0
88.04844	3.6
89.02439	4.4
95.01391	4.5
99.00887	6.9
103.00367	2.4
113.02445	22.6
115.00367	2.4
117.01955	2.8
122.06089	2.9
129.01918	2.1
134.06166	2.2
136.07645	3.5
149.04782	6.1
156.17055	1.0
157.08691	1.2
164.07123	3.7
170.27110	1.0
174.09213	1.3
175.02467	1.8
177.10329	1.6
189.06541	1.3
219.11292	2.9
227.08176	1.4
228.08954	1.4
229.09789	5.9
231.05029	2.5
241.09769	3.2
243.11301	4.3
247.10854	1.5
249.04077	1.2
249.06171	13.8
256.08521	1.1
259.10916	2.1
270.10123	1.1
271.10873	15.1
272.11237	1.7
277.11816	4.6
283.10886	1.1
284.33078	1.1
289.11923	4.5
293.07852	1.0
301.11975	7.7
310.83875	1.0
319.09750	1.3
319.13226	7.9
320.13416	1.4
337.11301	57.6
337.14700	5.7
338.11673	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68040	0.8
55.01865	1.0
57.03436	1.2
59.01376	7.9
63.43748	0.8
66.57642	0.7
68.99812	2.7
69.94228	3.8
71.01382	7.2
72.99294	2.1
73.02940	1.6
75.00868	2.2
78.95895	1.2
80.07185	0.7
83.01388	2.7
85.02955	11.4
87.00896	5.0
87.04515	2.0
89.02459	4.1
93.03461	3.4
95.01374	2.1
96.96948	0.9
97.02971	1.2
98.19935	1.1
99.00884	6.4
101.02452	4.1
110.70656	0.7
111.00860	2.9
111.01998	2.0
112.98833	0.8
113.02444	8.6
113.99594	18.2
115.00392	10.6
119.03488	1.4
126.90503	1.8
127.00386	3.9
129.01944	2.9
132.56415	0.8
137.02432	6.7
157.01462	4.0
161.04579	1.0
163.27184	0.7
169.01314	1.2
174.01706	16.8
175.02483	10.2
179.03560	0.9
186.71346	0.8
210.63445	0.8
214.99057	0.9
277.05630	20.4
337.07761	100.0
337.14941	2.6
338.08145	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	337.0778
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03433	1.7
57.44851	0.8
58.12466	0.8
59.01369	3.7
68.99816	4.0
70.63517	2.7
71.01377	3.7
72.99299	1.7
73.02961	1.3
75.00873	1.6
83.01387	1.7
83.75167	0.9
85.02960	9.8
87.00884	4.9
87.04478	1.5
93.03458	2.2
95.01370	1.3
99.00882	5.0
101.02443	2.3
110.22354	0.9
111.00869	2.6
113.02450	8.7
113.99585	17.6
115.00388	7.6
127.00346	4.2
129.01936	2.9
137.02451	1.7
153.91467	1.1
157.01427	5.8
169.01434	2.1
174.01685	18.1
175.02405	2.8
187.30528	1.0
199.93665	0.8
213.45403	0.8
229.96654	0.9
277.05640	21.2
278.05817	1.5
291.93509	1.1
337.07761	100.0
338.08072	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	336.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
59.01381	100.0
60.01718	1.3
67.01895	0.7
68.01424	2.1
69.62311	3.2
71.01378	5.8
72.99312	1.0
73.02954	1.6
75.35987	0.5
83.01392	1.0
85.02958	3.9
86.99054	0.5
89.02425	0.8
97.02962	1.5
99.00896	0.6
101.02401	2.7
109.02991	0.7
110.02435	0.8
113.02457	2.5
117.03462	0.6
119.05044	1.9
131.03810	0.8
133.02977	1.9
133.50128	0.5
134.03700	0.6
135.04538	3.9
147.04535	18.6
148.04936	1.0
151.15143	0.6
153.04318	0.7
158.06151	2.1
161.02441	8.9
161.04547	4.4
161.05948	1.1
173.11874	1.0
174.12172	1.3
179.03615	0.7
189.05618	0.9
216.43002	0.7
286.88788	0.6
337.03363	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	336.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01717	1.1
67.01902	0.9
68.01418	3.0
69.46990	6.2
69.47332	0.7
71.01385	7.8
73.02968	2.7
85.02949	5.0
91.68279	0.9
95.01523	0.8
97.02942	1.8
101.02448	4.0
110.02445	1.2
113.02451	3.0
125.89677	0.7
131.03722	1.7
133.02934	1.4
135.04510	2.6
147.04544	18.1
158.06068	1.6
161.02467	5.6
161.04552	7.8
162.04871	0.9
189.05528	1.0
216.59634	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	335.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60617	0.4
53.89500	0.4
55.01875	1.5
57.03441	1.2
58.00571	0.4
59.01381	19.5
61.38307	0.4
62.77058	0.4
63.47550	0.4
63.75912	0.4
66.51579	0.4
69.03484	0.4
69.65150	2.7
71.01385	12.5
72.99315	2.3
73.02946	3.9
75.00854	0.5
79.95720	0.4
81.03468	0.4
82.65881	0.5
83.01383	3.0
85.02493	0.7
85.02955	6.7
87.00886	1.9
89.02456	1.7
95.01376	1.1
99.00892	1.6
101.02444	7.3
109.02970	0.8
111.00883	1.6
113.02446	3.1
119.03510	0.7
123.04523	0.7
125.02386	0.4
127.11288	2.0
133.02928	2.1
134.03806	0.7
135.04526	5.8
136.04848	0.5
147.04504	1.9
151.03955	0.8
155.10788	1.7
159.03011	0.7
159.04536	0.4
161.02434	6.2
161.04532	0.6
173.11823	36.1
174.12184	1.9
179.03531	2.0
179.84286	0.4
197.04478	0.9
215.12798	0.6
219.74748	0.4
263.03580	0.8
279.64417	0.5
293.04556	0.5
317.16064	3.2
335.17111	100.0
336.17465	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	32.8
69.59650	4.7
69.60060	1.1
71.01386	7.2
72.99310	100.0
73.02954	5.1
73.99656	1.3
75.00874	23.8
79.98748	0.7
83.01369	1.4
85.02945	2.4
87.00863	4.3
89.02434	3.1
99.00881	3.8
101.02439	6.0
108.04587	0.9
111.08162	1.2
113.02453	1.9
117.01950	8.4
135.03001	68.8
135.04587	2.0
136.03279	1.3
138.01936	4.2
161.02434	0.9
173.08163	2.5
179.03450	1.2
191.01964	7.3
191.03452	1.4
203.12807	1.8
226.28580	0.9
273.20804	0.9
275.18555	2.6
317.19653	1.1
335.13629	10.5
335.20703	9.5
355.16904	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	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88118	1.8
55.01887	9.3
58.43583	1.9
59.01383	68.3
69.73141	9.1
69.73565	3.7
71.01385	49.3
71.38692	1.8
72.99318	4.6
73.18408	1.8
83.01394	2.7
85.02954	7.1
89.02448	52.6
98.19835	2.4
99.91554	1.9
101.02460	20.8
101.18053	1.6
102.81931	1.7
111.08167	100.0
112.08478	3.3
113.02461	16.5
119.03485	19.1
131.03526	3.3
141.74757	1.7
143.03491	4.0
151.52003	1.8
155.07144	80.4
156.07408	4.2
161.04559	5.1
173.08263	2.6
177.81987	1.7
179.05597	6.6
335.13358	6.8
335.17090	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	335.054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64949	1.5
57.03468	2.1
59.01381	17.1
61.98837	5.8
66.67348	1.6
70.18018	2.8
70.18414	5.5
71.01391	13.3
72.99345	2.5
73.02979	1.7
75.00856	2.1
80.96550	2.0
85.02954	6.7
89.02432	9.1
91.19733	1.5
93.03468	51.9
94.03844	3.5
94.82638	1.6
101.02473	8.8
111.08152	4.8
113.02462	5.4
115.04084	2.1
117.48719	1.5
119.03522	3.4
120.47829	1.7
137.02446	100.0
138.01913	3.7
138.02882	2.5
139.04082	2.3
155.07147	5.3
171.29956	1.6
173.08231	2.0
192.95837	5.1
201.63916	1.7
258.39743	1.9
299.07651	5.3
328.17682	1.7
335.13480	12.4
355.96387	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	333.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
59.01379	100.0
71.01382	5.9
71.62899	1.2
72.99304	2.1
73.02963	1.4
82.15887	0.7
83.01391	1.2
85.02956	4.5
87.57507	0.7
93.03471	1.5
99.00875	1.0
101.02445	3.6
109.02940	6.7
113.02440	2.9
117.03452	5.4
119.05022	2.5
121.02947	2.7
123.04541	1.1
126.90490	1.3
127.11201	0.9
130.43767	0.8
133.02948	8.0
134.03716	1.6
135.04509	7.9
139.03958	1.6
145.02945	15.9
149.02432	9.1
150.03212	3.1
159.04515	2.7
161.02454	20.9
161.04507	2.0
162.03214	0.9
163.04005	2.6
179.03503	2.7
184.09363	0.8
197.04507	1.0
203.03398	1.2
205.90289	0.8
239.07159	0.8
253.05147	1.1
267.06598	2.8
269.08325	3.7
283.06277	1.0
290.25739	0.8
291.17978	4.2
309.03946	3.5
310.04681	1.1
311.05453	1.1
313.07175	1.5
333.09799	7.9
333.13589	1.3
333.20438	1.0
357.06064	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40434	0.4
63.60481	0.4
64.01925	0.6
70.26207	2.0
77.82658	0.5
78.03497	1.0
80.05077	0.5
92.05076	1.9
94.06641	4.1
104.05065	3.2
105.03471	2.1
106.02985	0.8
106.06630	12.4
107.03821	0.5
107.06985	1.0
108.04566	0.9
119.04984	0.7
120.04552	5.8
121.05348	1.5
122.02473	0.7
122.06121	15.5
122.07018	0.8
123.03229	2.0
123.06483	0.7
124.07606	0.7
131.03725	0.9
132.04564	7.1
133.02908	0.6
135.04541	1.5
138.05612	23.3
139.06000	0.9
139.42990	0.5
140.07233	0.5
148.04066	0.8
150.05597	1.8
161.02448	1.1
166.05055	0.5
174.12895	0.6
181.05112	1.1
189.07893	1.4
190.08385	0.5
198.08150	0.5
212.09680	0.5
213.06589	1.0
215.11855	1.2
217.07410	1.7
226.07390	0.7
228.09039	0.6
229.09891	0.7
231.09058	0.9
231.11177	0.8
241.09846	2.7
243.11362	1.4
247.95258	0.6
259.10999	0.6
266.29044	0.5
271.10876	1.0
288.65051	0.5
289.11935	100.0
290.12265	10.6
333.10861	8.0
334.11423	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	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58808	0.4
59.01389	2.7
59.01627	0.5
60.26844	0.5
60.86842	0.4
63.65305	0.4
69.67072	3.0
71.01365	2.5
73.02943	0.7
80.05055	2.2
85.02952	1.3
87.00855	0.8
89.02454	0.5
92.05047	2.4
94.06622	5.5
98.20503	1.0
101.02436	1.2
104.05069	2.7
104.68120	0.5
105.03455	3.0
106.06627	12.5
108.04560	1.7
113.02444	1.8
120.04561	5.5
121.05325	1.4
122.02483	0.9
122.06129	15.2
123.03267	2.3
123.06425	0.7
124.77867	0.5
131.03784	1.1
132.04552	8.0
135.04567	0.6
136.03949	0.8
138.05609	22.7
142.68680	0.4
148.04080	1.0
150.05531	2.2
161.02553	0.6
166.05093	0.8
174.12880	0.9
179.03468	0.6
189.07954	1.5
189.15004	0.8
208.52248	0.5
215.11879	1.4
217.07442	1.3
218.11888	0.6
221.44739	0.6
231.08995	0.7
241.09824	2.5
243.11382	1.7
259.02301	0.6
271.10898	1.4
284.45264	0.6
287.01926	0.6
289.11932	100.0
290.12271	9.4
333.06500	0.8
333.10815	8.6
333.14883	0.7
333.19177	0.6
334.11072	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	333.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54812	0.5
57.57515	0.5
59.01389	0.6
60.59827	0.5
65.00330	0.8
68.99817	2.2
71.65836	0.7
73.02955	1.8
76.66761	0.6
82.99721	0.6
95.01389	0.8
99.00892	2.0
99.92569	0.6
101.02455	1.1
109.02953	0.8
110.00113	1.1
111.00895	0.6
112.98824	1.0
115.93238	0.5
125.02459	0.6
126.65692	0.5
129.34706	0.5
133.02956	0.9
134.40839	0.5
139.05568	2.4
140.01164	0.9
141.01930	1.5
146.60373	0.6
149.02437	0.6
160.74486	0.6
161.02502	0.8
165.99146	0.6
169.01440	0.6
169.06586	0.9
171.04517	10.3
172.00192	1.3
179.03522	0.6
183.04480	0.7
184.05328	2.6
196.05283	1.5
211.03979	1.9
212.04782	2.5
225.05563	0.7
240.04359	1.9
241.05070	13.0
242.05444	1.2
244.03821	0.9
253.05089	0.9
255.06624	4.1
268.03775	6.8
269.04446	2.1
270.05231	1.7
283.06110	6.7
284.06485	0.7
287.09256	7.2
288.09811	0.9
315.08749	100.0
316.09045	10.7
333.20703	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	333.0882
Annotation	Daibucarboline B
Peak:m/z	Relative Intensity
51.49508	0.5
56.55888	0.6
59.01361	1.0
65.99835	4.5
95.01394	2.2
109.02946	10.1
113.02452	1.7
116.05061	38.4
117.05379	2.0
118.02988	0.8
121.02953	1.0
122.78557	0.7
132.02141	2.6
133.02957	29.1
134.03317	0.8
135.04506	1.7
144.04620	1.0
145.03015	1.6
146.02463	4.6
147.03261	66.0
147.62950	0.6
148.03981	3.3
149.02429	2.5
155.06099	0.8
159.04535	0.8
160.04047	5.2
161.02443	3.5
167.06119	1.4
172.04070	1.2
175.02711	2.1
176.03497	4.6
179.03473	0.8
188.03523	8.8
189.04190	0.8
190.05055	2.2
204.03030	0.6
216.03004	4.0
217.03726	1.1
252.27620	0.7
259.04782	0.7
259.20969	0.6
260.07031	0.7
262.08670	3.0
267.06793	1.0
289.09833	3.7
305.09314	17.3
306.09625	2.0
313.14203	0.7
333.08780	100.0
333.20694	2.8
334.09097	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	332.1405
Annotation	Cyclo(-Phe-Trp)
Peak:m/z	Relative Intensity
59.01378	0.4
60.81180	0.3
65.04851	0.3
69.28959	2.3
69.29386	1.3
69.32255	0.4
72.00914	7.2
72.99329	0.4
73.44169	0.4
74.02475	9.2
75.97197	0.4
77.24395	0.4
90.02280	0.3
98.20679	0.8
109.19763	0.4
116.05066	38.6
117.05379	1.5
128.05089	0.8
129.05896	0.5
130.06642	5.8
132.08156	0.6
135.04526	1.8
139.97586	0.5
142.05551	0.7
142.06624	11.9
144.04555	0.4
145.02951	0.8
157.07761	2.7
159.09285	13.9
160.09593	0.7
161.02481	0.9
172.04013	0.4
172.99330	0.4
175.75111	0.4
179.03528	0.7
186.05562	0.9
201.06694	0.5
203.08260	100.0
204.08603	6.5
245.10889	0.6
288.15045	6.1
289.15335	0.6
316.17926	0.4
332.14041	15.8
333.14291	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	331.176
Annotation	Rosiridin
Peak:m/z	Relative Intensity
51.71231	0.7
52.40279	0.8
55.01877	5.7
55.91297	0.7
56.20021	0.7
57.03455	4.1
58.00584	3.0
58.31819	0.8
59.01379	65.9
69.03456	1.2
69.38417	0.6
71.01382	100.0
72.01711	2.0
72.99320	6.7
73.02945	21.5
75.00900	1.4
83.01379	7.8
84.02172	1.2
85.02950	34.4
86.03293	0.8
87.00864	3.4
89.02440	38.0
95.01384	6.8
97.02934	2.4
99.00883	11.3
101.02441	54.4
102.02753	0.9
109.02963	1.9
111.00842	0.8
112.91550	0.7
113.02444	38.1
119.03502	15.2
125.02464	1.8
129.01979	0.9
131.03520	1.4
131.16902	0.8
137.02414	3.4
141.86601	0.6
143.03517	3.1
143.45000	0.8
143.74129	0.7
149.04575	0.9
151.04077	1.2
159.02995	6.3
161.04559	29.4
162.04948	1.1
179.03459	0.8
179.05583	1.4
269.08215	1.2
299.64056	0.8
331.12234	1.0
331.17453	4.2
332.17804	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	331.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.1
64.43303	0.5
69.38477	1.0
69.38899	2.4
71.01377	1.2
72.99318	1.0
81.03465	0.9
85.02963	0.6
89.02422	0.7
98.20619	0.8
101.02412	0.7
102.67942	0.4
108.02185	2.4
109.02953	100.0
109.99734	0.6
110.03283	4.1
113.02436	0.5
115.05540	0.7
119.01424	0.5
121.02963	1.4
123.04522	4.1
130.04251	1.1
131.05008	1.9
133.02943	3.7
135.04520	10.3
136.01633	1.0
136.04871	0.9
137.02443	56.5
138.02795	2.2
145.02956	1.2
146.03700	1.2
147.04544	2.9
148.04936	0.4
150.03239	1.2
151.04015	5.3
158.03758	1.2
159.04515	36.0
160.04884	2.0
161.02451	4.2
179.03651	0.7
193.05055	0.4
198.06903	0.5
203.03479	1.4
223.07686	0.5
225.05499	0.6
226.06389	0.6
237.05576	2.0
250.06389	0.6
251.07118	1.6
252.07835	1.0
253.04996	0.8
254.05771	3.3
256.92892	0.5
267.06714	2.4
268.07144	0.6
269.08179	58.0
270.08545	6.0
280.17410	0.4
331.08264	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	331.0822
Annotation	Dalparvin C
Peak:m/z	Relative Intensity
54.50689	0.4
59.01387	2.4
66.05193	0.4
69.39273	3.7
71.01379	3.0
81.03469	0.9
83.01364	0.4
85.02967	0.9
89.02462	1.9
93.03465	3.1
101.02451	1.3
105.03474	0.9
108.02164	1.0
108.04624	0.4
109.02958	9.0
113.02477	1.2
117.82466	0.4
119.03444	0.5
121.02962	2.6
122.03761	1.2
122.06109	0.6
123.04527	17.0
124.04848	0.6
133.02997	1.0
135.04543	6.2
136.01694	1.1
137.02454	100.0
138.02809	3.9
139.04024	7.7
140.04323	0.5
145.02933	0.5
149.02449	23.7
149.06015	0.5
150.03094	1.5
151.04018	52.4
152.04369	2.4
159.04507	3.0
161.02466	1.5
161.04544	0.5
179.03436	1.9
208.06317	0.9
227.07474	0.5
269.08206	5.0
270.08597	0.6
301.07144	2.9
331.08243	6.1
331.11978	0.7
332.08688	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	330.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
61.98834	100.0
82.39319	0.5
89.87460	0.4
100.71853	0.6
109.02964	1.8
114.24544	0.5
123.04510	1.0
129.02126	0.6
135.04518	1.2
137.02483	2.9
149.02417	0.9
151.02969	0.5
151.03999	2.7
171.10257	0.7
179.03441	0.8
214.16016	0.5
267.06696	1.9
269.08124	1.1
282.26920	0.6
329.23303	1.3
330.23834	1.4
331.08093	0.8
335.95050	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	329.1029
Annotation	2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.31953	0.2
57.83117	0.2
59.01377	1.1
59.09344	0.1
60.35278	0.2
93.03436	0.4
119.05031	100.0
120.04508	0.3
120.05374	4.6
125.09644	0.2
135.04668	0.2
139.11307	0.3
145.02960	0.5
153.01894	0.2
168.39230	0.2
171.10265	0.7
180.03870	0.2
201.11310	0.6
236.58690	0.2
249.01740	0.2
269.96103	0.2
269.99060	0.2
272.33328	0.2
283.87085	0.2
299.05573	1.8
314.07953	0.6
329.10312	12.6
329.23352	3.4
330.10474	1.3
330.23828	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	329.2333
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
55.76141	0.3
56.09894	0.3
57.03441	1.0
59.01367	0.4
60.29459	0.3
69.03443	0.4
73.33336	0.3
83.05014	0.8
85.02953	0.4
87.04816	0.3
97.06581	0.4
99.08151	6.5
125.09682	1.6
127.11292	3.3
129.09207	0.4
139.11287	3.2
140.11693	0.4
155.10822	0.5
155.14392	1.4
157.12396	0.3
165.12807	0.5
167.10757	0.4
167.14384	1.9
171.10268	11.6
172.10632	0.6
179.92963	0.3
181.12260	0.4
183.13898	5.9
183.15520	0.4
183.17261	0.3
184.14238	0.3
191.57321	0.3
193.12344	1.9
197.11658	0.3
199.13370	0.6
201.11174	0.4
209.11841	1.4
211.13383	32.6
212.13744	2.4
229.14426	17.1
229.30589	0.3
230.14799	1.3
293.21268	1.0
299.99182	0.3
311.22110	1.1
329.23315	100.0
330.23639	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	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.6
68.99812	0.9
69.03474	3.4
69.79057	4.2
75.32848	0.8
83.03831	0.7
95.01398	0.8
96.88854	0.8
97.02955	22.5
98.20557	1.3
125.02449	100.0
126.02805	3.8
137.22392	0.8
167.03584	0.9
239.12265	0.7
276.94302	0.8
302.33496	0.7
309.97168	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	329.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86545	0.2
52.41222	0.2
59.01371	0.7
71.42868	0.3
71.43191	0.3
81.03455	0.3
83.10850	0.2
93.03461	2.2
95.01376	0.4
95.05028	1.9
105.03438	0.4
105.56699	0.3
107.05084	0.2
108.02132	0.5
109.02958	2.8
121.02969	2.3
122.03795	1.6
123.04526	25.9
124.01622	0.4
124.04839	1.1
133.02960	4.7
134.03703	1.0
135.04524	6.9
136.04778	0.4
137.02420	0.8
139.04015	4.2
147.63840	0.3
147.75386	0.2
149.02431	2.2
151.35921	0.3
161.02443	12.8
162.02788	0.8
165.01941	0.5
167.03493	100.0
168.03836	4.8
179.03505	2.8
183.24519	0.2
285.07700	0.6
329.06607	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	329.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09282	0.6
51.00737	0.7
52.65281	0.6
54.89236	0.6
58.70213	0.5
59.01368	2.9
70.15502	2.4
78.01111	0.7
83.01401	0.8
87.00875	8.9
89.00342	2.2
91.01897	1.1
101.47907	0.7
103.00372	1.3
106.00593	2.8
108.02177	4.6
112.98775	3.2
121.02959	48.4
122.03349	1.5
123.00861	2.2
123.04518	2.7
125.02476	1.1
127.00365	1.0
138.03192	3.7
139.00374	0.9
152.01149	2.8
153.05574	32.2
154.05896	2.0
167.03516	7.4
182.02223	5.3
193.83304	0.6
197.04546	100.0
198.04865	6.1
266.45087	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	329.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99834	0.7
53.60833	0.6
59.01380	3.5
61.90911	0.6
71.01401	1.0
71.02605	0.9
71.02936	0.9
72.99300	0.7
78.01102	0.8
80.70185	0.6
83.01411	1.1
84.57911	0.6
87.00880	10.3
87.41218	0.7
89.00335	2.9
91.01890	1.2
93.24735	0.7
97.02948	1.7
100.72527	0.7
101.02469	0.7
103.00365	1.2
106.00613	2.7
108.02180	1.1
111.00882	1.4
112.98817	3.0
113.02374	0.6
121.02961	42.3
122.03763	1.0
123.00858	3.1
123.04503	3.4
125.02435	5.4
127.00391	1.2
136.98720	1.0
138.03244	2.9
139.00349	0.9
152.01132	1.1
153.05577	28.4
154.02748	0.6
154.05919	1.4
159.03059	0.8
161.04538	0.7
166.99825	1.4
167.03479	2.8
182.02216	3.5
197.04559	100.0
198.04849	4.8
293.08945	1.1
329.05115	1.4
350.72086	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	329.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56520	0.5
59.01378	45.0
61.98822	2.4
70.10094	0.5
70.22254	1.4
71.01366	0.9
72.99306	0.6
74.99383	1.8
77.26749	0.5
87.00878	0.6
98.02946	0.5
99.70149	0.5
107.96924	0.5
115.02518	1.6
116.47689	0.6
117.00446	13.7
118.00514	0.6
121.02988	1.0
125.00898	0.7
126.98866	1.3
128.96796	0.6
143.01962	1.6
144.99940	1.2
157.03506	0.9
157.57132	0.5
159.01492	68.8
160.01607	4.8
168.99933	4.1
170.97853	17.6
171.01498	2.0
171.97978	1.8
174.99374	0.6
187.00978	100.0
188.01089	10.6
190.97246	0.8
201.02539	14.5
202.02730	1.7
231.00476	0.6
232.98306	2.5
241.00494	0.9
270.16830	0.6
274.99405	9.7
275.99451	0.9
311.01123	0.7
328.96683	3.6
329.02081	2.6
330.02097	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	329.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44510	1.0
56.00154	0.7
57.07922	0.9
59.01381	6.5
71.01378	3.8
71.19189	2.2
72.99335	1.5
73.02938	1.6
85.02941	2.1
87.00871	9.9
87.95666	0.9
89.00350	2.9
89.02448	1.6
91.01910	1.5
95.01374	0.9
97.02948	0.9
101.02433	2.7
103.00333	1.5
106.00597	3.3
108.02176	6.1
110.89935	0.9
111.00865	1.5
112.98831	4.4
113.02450	2.3
121.02962	45.0
122.03783	11.7
122.06116	2.1
123.00880	1.4
123.04552	9.3
125.02437	3.9
136.98795	1.4
138.03239	1.8
150.05565	3.1
152.01149	3.1
153.05582	26.8
154.05942	1.0
154.99998	0.8
159.02968	3.0
161.04553	2.3
166.99835	1.0
167.02132	1.0
167.03516	14.9
182.02177	5.4
195.49205	0.8
197.04558	100.0
198.04895	3.9
223.00801	0.8
293.08746	1.3
297.11166	0.9
312.10980	2.0
329.08755	2.4
350.54681	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	328.119
Annotation	CHEBI:67373
Peak:m/z	Relative Intensity
54.11205	0.5
59.01384	2.7
69.38203	5.1
70.03935	0.5
71.01372	0.5
72.99316	1.5
78.45298	0.5
93.03456	3.7
98.20576	1.1
101.02479	0.7
109.02951	1.5
117.03468	1.4
120.95059	0.5
121.02958	5.1
123.04541	0.9
127.00388	1.2
132.02190	2.9
132.04578	1.1
133.03011	8.8
133.05338	64.7
134.03757	13.0
134.05869	2.5
135.04558	7.7
137.02428	0.8
137.06020	0.6
147.04488	1.5
148.05324	8.0
149.06093	6.0
160.01653	11.4
160.03922	2.5
161.02446	88.1
162.02818	4.0
175.03990	8.4
179.03528	0.6
190.05092	2.4
197.04567	1.6
198.12961	0.6
234.07567	1.0
241.12711	1.1
242.11894	1.9
252.07881	4.5
288.31186	0.5
295.08493	10.7
296.08762	1.2
310.10840	100.0
311.11118	11.5
311.14618	0.5
328.11917	3.5
328.15469	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	328.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	31.9
61.98829	11.8
69.98469	6.9
69.98861	11.3
71.01392	20.9
72.99310	5.6
73.02957	13.1
77.10040	3.5
80.75427	3.8
85.02952	15.9
86.02488	7.9
87.00883	12.0
87.82610	3.8
88.04044	36.4
89.02441	16.1
91.72588	4.5
95.49715	4.0
98.20612	5.2
99.00882	5.4
101.02452	7.3
108.02215	18.8
112.04050	36.8
112.98753	6.2
113.02466	12.4
119.03470	10.2
121.02971	50.8
122.03754	9.3
123.00867	5.3
123.04530	16.7
125.02443	19.9
130.05099	77.9
134.04735	16.6
138.03169	5.2
148.04012	16.9
152.01180	8.8
153.05614	34.5
159.03033	7.7
161.04565	6.7
167.03464	22.2
172.06230	21.7
179.05620	9.8
197.04553	100.0
202.07172	6.4
274.29407	4.5
294.21136	5.3
328.08157	11.9
328.15869	4.4
329.05673	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	328.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.9
59.01381	7.8
60.05655	0.8
64.18032	0.8
70.46947	2.5
71.01382	6.8
72.99342	1.3
73.02949	2.5
75.00880	1.1
83.01392	1.5
85.02959	5.6
86.02482	1.5
87.00878	11.1
88.04035	6.1
89.00352	1.6
89.02438	1.7
91.01942	1.0
98.19967	1.1
99.00877	1.1
101.02440	5.3
103.00396	1.0
106.00626	2.8
107.14210	0.7
108.02190	3.7
108.90220	0.8
109.02972	1.3
110.04316	0.7
111.00879	1.9
112.04062	6.6
112.98813	4.6
113.02467	4.5
119.03521	1.5
121.02957	43.2
122.03745	15.2
123.00884	2.3
123.04533	10.0
125.02455	1.4
129.01955	0.9
130.05098	16.8
138.03256	1.3
139.04004	0.9
148.04179	1.2
152.01180	3.3
153.05585	31.2
159.02965	4.3
161.04587	4.0
166.99841	1.4
167.03520	11.4
172.06175	4.3
177.05653	1.3
182.02245	4.4
197.04559	100.0
202.07207	1.1
293.08789	2.2
328.07898	1.4
328.15408	1.1
329.08740	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24575	0.7
57.03460	0.9
59.01378	1.0
69.03415	0.7
69.54036	1.3
69.54440	4.5
70.44011	0.6
71.01366	0.7
83.05009	1.1
85.02952	5.0
91.11601	0.9
93.11240	0.7
97.06599	6.5
98.20611	1.4
102.13124	0.9
107.23378	0.7
125.09680	1.8
127.11286	2.8
143.28532	0.8
144.51176	0.9
155.14435	1.1
165.12868	1.7
167.14351	1.1
171.10272	10.4
177.12840	1.1
181.12405	0.9
183.13875	7.1
185.11787	3.0
193.12358	1.2
197.11708	0.7
202.12009	0.7
209.11809	2.4
211.13382	28.1
212.13702	1.5
218.87524	0.7
221.11798	5.1
229.14417	20.1
230.14856	0.9
239.12927	2.2
291.19647	3.8
309.20551	1.4
327.21750	100.0
328.22052	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03454	2.6
58.00597	1.2
59.01385	4.0
64.28120	0.4
65.03665	0.5
68.96255	0.5
69.03460	1.6
71.01379	2.7
71.05030	0.9
71.65068	0.4
71.65616	0.6
73.02953	1.3
83.01380	0.7
83.05019	1.0
84.02176	0.9
85.02950	7.0
85.06566	0.5
87.04503	0.6
89.03963	0.5
93.03447	0.7
95.05048	1.2
97.02970	1.5
97.06588	5.7
97.38187	0.5
99.04562	0.7
101.02449	3.0
105.03447	1.0
106.92368	0.5
107.05044	1.2
108.02173	0.8
109.02953	16.1
109.06566	0.6
111.04499	0.6
113.02404	0.8
117.03455	1.3
119.05053	0.7
119.85811	0.5
121.02962	2.1
123.04597	0.8
125.09702	1.6
127.11287	2.1
133.02962	10.9
134.03745	8.3
135.04527	77.9
137.02432	1.9
137.09691	1.3
145.02980	2.9
149.02448	1.1
150.03206	0.7
155.10835	0.6
155.14445	0.8
160.01729	1.3
161.02443	7.7
163.04001	1.1
163.11243	1.1
165.12840	4.0
167.14400	1.5
171.10268	13.8
173.02415	0.7
173.08099	0.6
174.03229	1.2
175.04002	1.9
177.01915	2.6
177.12852	1.6
178.02734	0.9
179.03491	50.9
181.12315	1.0
183.13876	5.5
185.11777	1.5
193.12297	1.6
195.13889	2.0
197.11786	0.9
201.11275	0.7
209.06012	2.9
209.11888	2.0
211.13387	24.2
212.13643	1.5
220.46245	0.5
221.11803	3.4
225.11354	3.1
225.15019	0.7
229.14424	12.4
230.14832	1.4
235.07834	0.7
237.05576	9.8
238.06296	1.5
239.12871	3.9
241.05045	0.8
248.04836	1.3
253.04918	1.2
254.05653	0.7
255.06538	1.5
263.07080	0.9
264.04257	0.8
265.05054	10.0
266.05823	10.6
267.06522	2.7
267.12247	0.8
273.05661	0.9
279.06680	0.9
282.05319	1.5
283.06067	4.6
291.06677	2.9
291.19705	3.0
297.07532	1.1
309.20758	1.7
312.06235	0.7
327.21747	100.0
328.07852	2.7
328.22067	12.0
335.05972	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03438	1.7
59.01386	1.8
69.03447	0.8
69.48427	2.6
69.90131	0.4
71.01370	1.6
71.05013	0.8
81.03473	0.7
83.05017	1.1
85.02945	4.7
87.67337	0.4
91.51707	0.3
95.04996	0.9
97.06590	5.9
109.02950	0.9
111.03783	0.4
111.04484	0.5
111.08144	0.8
121.02956	2.2
122.92192	0.4
123.04577	0.6
125.09694	1.0
127.11263	1.7
132.02167	0.9
133.02908	0.5
135.04529	1.7
137.02498	0.5
137.09723	1.0
138.95828	0.3
145.02985	1.2
147.00883	0.4
151.04034	0.4
155.10707	0.8
155.14407	0.9
160.01695	3.3
161.02448	2.6
163.03966	0.6
163.11259	0.6
165.12827	1.0
167.14381	1.2
171.10263	10.1
175.03998	4.4
176.04430	0.5
177.12802	1.2
179.03500	1.3
181.05066	0.9
183.13911	5.4
184.14272	0.5
185.11787	1.4
193.12288	1.8
195.13869	0.5
197.11797	0.9
199.13382	0.4
201.11220	0.7
203.10626	0.7
209.11873	2.2
211.13377	25.5
212.13792	1.8
213.14742	0.4
221.11829	3.5
229.14417	14.4
230.14798	1.0
239.12965	2.0
239.22427	0.5
265.17975	0.7
273.18768	0.5
283.19177	0.7
291.19653	2.9
292.20035	0.5
293.90353	0.4
309.20676	1.9
315.27621	0.5
327.04929	1.3
327.21747	100.0
328.15634	1.1
328.22110	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77689	1.3
53.33248	1.2
55.01890	2.1
59.01382	100.0
69.03453	2.2
69.36977	6.1
69.37407	5.7
71.01385	37.8
73.02951	63.5
83.01390	16.7
85.02946	3.6
87.00872	1.8
89.02445	7.2
99.04521	1.4
101.02451	47.5
102.02793	1.4
109.02956	7.5
113.02464	14.3
115.93270	1.3
119.03480	2.7
121.02952	2.7
123.04536	3.9
125.02438	2.5
131.03481	4.2
133.02895	1.5
133.05328	7.0
134.03749	2.1
135.04503	2.0
143.03497	2.9
147.04514	1.6
149.04543	5.5
155.03535	1.7
161.02452	11.7
161.04593	8.3
200.19189	1.3
203.05576	1.8
217.05174	2.3
221.06779	2.1
253.05168	2.0
283.05966	3.4
291.02945	1.6
309.04581	1.5
310.10825	12.7
327.05017	6.6
327.08533	2.6
327.48788	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	327.1236
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
51.47161	1.0
56.26675	1.1
69.42971	9.4
72.33890	1.1
81.95592	1.1
109.02984	1.4
121.03017	1.2
133.02939	3.1
135.04515	3.1
137.02435	2.1
145.02975	15.4
146.03691	4.2
164.08334	1.6
166.06406	1.7
167.07138	21.3
179.03438	1.4
193.06558	2.0
194.07472	1.2
197.06192	1.4
198.20242	1.2
211.07677	7.9
213.32355	1.2
221.06038	1.3
221.59663	1.1
222.06795	2.6
223.07635	5.7
224.04727	1.5
225.05521	4.0
225.09247	4.6
237.05447	1.8
237.09180	2.0
238.06258	3.1
238.10078	1.8
239.07159	7.0
239.10814	2.3
240.07698	1.5
241.08736	2.5
250.06248	1.3
251.07179	7.0
253.05000	7.9
253.08856	1.8
254.05594	1.3
255.10190	2.4
256.11072	21.8
257.11438	1.3
265.08661	5.0
266.05737	1.6
266.09384	1.6
267.06622	17.8
267.10248	5.2
268.07159	2.8
281.08218	2.3
282.08887	2.5
283.09763	14.3
284.10461	18.6
285.10822	1.5
295.09738	18.0
296.10513	28.9
297.11157	10.6
310.08484	11.5
311.09229	66.7
312.10004	100.0
313.10333	13.0
327.12363	92.4
328.12747	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53967	1.5
55.01825	1.6
59.01382	100.0
60.90775	1.5
69.03463	2.4
69.63526	8.0
71.01383	34.8
73.02951	69.1
75.67456	1.5
83.01397	14.9
85.02927	5.2
89.02445	6.7
101.02451	49.6
113.02451	15.1
119.03490	5.4
123.04501	2.2
125.02427	1.9
131.03491	5.8
143.03497	3.4
149.04515	4.5
161.04543	9.4
185.03049	1.8
215.59705	1.7
221.06798	1.9
327.04758	2.4
328.05771	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	327.0873
Annotation	6-Methoxypterocarpin
Peak:m/z	Relative Intensity
51.96865	0.3
59.01382	0.7
59.56571	0.3
70.30196	0.8
71.01382	0.5
73.02909	0.3
74.02473	0.3
80.03639	0.3
80.82438	0.3
93.03456	7.7
94.03831	0.4
96.99300	1.7
99.00886	0.4
101.02431	0.4
104.86521	0.3
108.02175	3.7
109.02957	13.5
110.03300	0.5
117.03451	1.0
117.07166	0.3
119.05022	6.1
121.02959	0.7
123.04521	3.2
127.00375	4.1
129.38713	0.3
130.04222	0.8
131.05032	1.8
132.02167	0.4
133.02954	5.6
134.03786	2.6
135.04498	0.8
137.02437	0.6
140.65111	0.3
143.05025	5.8
145.02979	2.9
145.06631	0.3
146.03743	11.2
147.04544	1.5
147.58356	0.3
149.06006	1.4
157.01378	0.3
158.03735	3.2
159.04515	18.2
160.01659	0.4
160.04922	1.0
161.02422	1.2
163.04012	2.8
171.04517	0.6
173.02437	0.8
173.06131	1.0
174.03178	0.4
175.04018	1.7
176.11865	0.3
183.04468	0.5
185.06044	0.7
190.02571	0.4
191.03528	0.4
193.06551	0.6
195.08170	0.5
196.05336	1.0
197.06096	1.9
198.06851	1.2
203.03546	0.7
209.06076	0.9
211.07646	5.6
212.08192	0.7
217.05052	1.4
218.14871	0.3
221.06076	1.7
222.06824	1.8
223.07652	2.5
224.04819	0.8
225.05530	4.7
226.06181	1.1
229.05103	0.7
235.07570	1.1
236.04681	0.4
237.05568	1.5
237.09132	1.4
238.06345	2.7
239.07117	10.3
240.04276	0.4
240.07574	1.2
241.08617	0.7
244.07172	0.3
247.03839	0.4
249.05597	3.0
250.06329	11.0
251.07098	11.7
252.07513	1.0
253.05055	5.1
254.05487	0.6
265.05096	4.3
265.08685	5.8
266.05817	9.5
266.08701	0.4
267.06610	100.0
268.07220	21.9
269.07764	1.9
281.08197	1.3
283.09744	50.5
284.10065	5.8
291.02969	0.6
309.04376	0.5
309.07416	1.8
312.10126	0.6
327.08710	83.1
328.09073	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	327.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32203	0.4
59.01360	0.6
60.55359	0.4
64.26308	0.5
67.89000	0.4
70.86093	0.5
72.01508	0.4
72.99316	4.0
76.80113	0.4
78.83744	0.4
84.53324	0.4
84.88086	0.4
98.20578	1.0
115.27254	0.5
117.03471	19.5
118.03809	0.8
119.05028	31.1
120.05376	1.7
134.03749	1.8
135.04532	13.3
136.04854	0.7
145.02956	100.0
146.03291	5.1
163.04013	26.0
164.04381	1.1
174.44991	0.5
175.04013	0.6
181.05070	48.8
182.05348	3.2
195.31682	0.4
211.13339	0.5
229.14339	0.6
241.49025	0.4
327.21747	4.3
328.22040	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	327.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
67.89751	0.4
71.01385	0.5
72.34660	0.4
72.99303	0.6
81.03466	0.4
87.04465	0.3
93.03474	0.5
98.20615	1.0
105.03469	0.6
108.02181	0.6
117.01916	0.4
119.05020	1.1
121.02943	2.9
122.03726	1.4
123.04514	6.4
132.02177	18.6
133.02888	0.5
135.04529	1.4
149.02428	1.3
149.06094	0.6
150.03235	5.3
151.04010	7.8
160.01659	76.0
161.02180	5.7
161.04654	0.6
171.10268	1.8
175.04002	100.0
176.04318	6.2
176.07094	0.7
177.01961	0.6
179.03458	0.9
185.11897	0.8
197.11827	0.5
209.11852	0.6
229.14584	0.7
267.06641	0.7
283.09671	1.2
309.20825	0.6
327.05197	0.7
327.08704	3.9
327.18738	0.4
327.21756	10.8
328.15466	1.1
328.22003	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	327.0511
Annotation	Aflatoxin Q1
Peak:m/z	Relative Intensity
59.01390	18.1
64.20029	2.3
64.72366	2.4
70.94482	3.5
70.94803	2.5
71.01366	10.5
76.93253	2.1
85.02953	5.8
85.33555	2.3
89.02441	5.1
93.03454	5.3
93.72416	2.5
95.01374	3.1
99.00892	23.7
100.65359	2.2
101.02429	10.2
109.02962	23.0
113.02444	8.6
117.03531	2.3
119.05035	3.8
121.02955	10.2
123.00892	3.3
123.04538	6.3
125.02475	16.2
133.02936	7.6
135.04521	3.2
137.02542	3.7
145.02934	11.0
146.03647	3.4
147.04530	17.7
149.02411	3.8
156.08150	2.2
159.04524	2.8
161.02480	14.2
165.05606	2.6
167.04985	3.3
169.06645	2.7
173.02388	5.9
174.03198	10.5
175.04036	2.4
177.01961	5.7
181.06541	6.0
183.04501	5.2
185.06067	6.2
189.01912	13.2
190.02657	8.2
193.06610	4.3
195.04510	2.8
196.05295	7.4
197.06110	7.3
199.07587	9.6
202.02667	4.6
208.05270	4.9
209.06087	20.1
210.06702	2.7
211.04010	5.2
211.07602	6.7
212.04868	5.1
213.05553	3.9
218.02142	5.3
221.06032	3.5
224.04767	11.8
225.05557	19.0
226.06329	9.4
227.03525	17.1
227.07083	20.3
235.04010	39.8
236.04565	7.1
237.05569	22.9
238.06354	4.6
239.03664	3.5
239.06990	6.3
240.04259	7.0
241.05060	3.6
248.04935	3.3
251.08643	2.4
253.05052	50.7
254.05611	8.4
255.06613	33.7
256.06924	2.8
263.03497	9.7
264.04153	2.6
265.05014	18.4
270.05328	5.6
271.06061	3.4
279.03137	4.0
281.04556	43.4
282.04764	3.1
283.06128	42.6
284.06418	4.1
291.02985	76.4
292.03464	9.9
297.04135	2.7
298.04813	5.1
299.05597	22.4
309.04019	61.4
310.04388	7.9
327.05078	100.0
327.10938	9.7
328.05441	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	326.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36570	0.6
59.01381	11.8
60.01728	1.0
61.98833	1.4
70.18925	3.0
71.01385	1.9
74.02473	2.4
75.00875	0.8
76.16749	0.7
84.00914	0.9
84.04559	0.8
87.00851	0.8
89.02455	0.8
101.02453	0.9
104.03532	1.3
107.03632	2.9
114.73826	0.7
120.23719	0.7
120.90772	0.7
121.02959	1.0
125.02438	1.2
134.04733	100.0
135.05083	1.9
137.02422	1.1
145.09831	2.5
146.02478	18.4
147.00961	0.9
147.04544	0.9
150.03224	1.2
156.49864	0.7
159.03021	0.8
162.05634	4.1
165.04134	1.0
165.05502	1.5
168.91415	1.8
189.01837	0.9
206.04718	0.8
253.05095	2.0
266.08954	2.5
280.85205	0.9
281.04547	1.2
282.18088	4.3
283.06107	0.8
291.03174	1.3
309.03992	0.9
326.12381	0.8
326.17419	1.1
327.04977	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	326.1244
Annotation	Sesbanimide A
Peak:m/z	Relative Intensity
51.36418	0.8
58.02971	1.2
59.01371	6.5
60.99305	1.5
69.51490	6.9
71.01332	0.9
72.00912	5.9
72.04547	6.9
72.66798	0.8
74.02474	100.0
81.03452	3.3
84.04036	1.6
84.04548	33.2
85.02947	1.8
85.04916	1.3
86.02467	4.5
90.59837	0.9
93.03423	1.4
95.05022	2.5
98.02478	2.7
98.91506	0.8
100.00387	0.9
100.04035	1.8
102.05570	1.2
103.87938	0.8
104.03536	45.5
105.03812	1.3
107.10410	0.8
109.06583	1.6
112.23045	0.9
115.28587	0.8
116.03538	8.5
117.03416	0.9
119.05016	7.7
120.05378	9.8
120.89557	0.9
123.04536	1.5
123.08183	1.7
134.02806	1.1
135.08157	3.7
141.08580	0.9
145.02972	1.0
146.03291	2.3
146.04640	1.3
147.04482	2.7
159.08195	1.1
163.04012	5.4
164.04335	5.7
165.05565	14.3
166.08749	2.7
177.09178	3.6
177.75774	1.0
188.04282	1.4
190.12402	0.9
195.10303	1.9
202.12294	1.1
204.49312	0.8
220.13454	4.1
220.92635	0.9
221.08247	1.0
234.11336	1.9
239.09225	5.6
252.12408	15.1
253.12750	1.1
264.12399	8.1
278.10419	3.3
282.13452	3.8
296.11337	11.4
308.11389	6.4
326.12442	67.4
327.12924	6.4
334.99509	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
58.38851	0.4
59.01373	0.7
60.72771	0.4
69.76450	1.2
69.76841	0.7
79.95731	0.6
119.05045	1.0
133.06604	0.6
147.08209	0.6
149.09717	88.7
150.10049	5.9
163.11284	100.0
164.11612	7.2
170.00380	0.5
177.00839	0.4
183.01199	31.0
184.01952	5.1
197.02728	1.2
216.00888	3.0
225.05771	0.6
239.07430	0.5
325.18311	65.2
325.21713	91.8
326.18643	8.4
326.22046	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	325.2018
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
50.00456	1.8
50.93722	1.9
52.63508	2.1
57.03430	4.3
58.00579	3.9
59.01376	20.5
69.03440	6.2
71.01373	13.2
71.05016	2.9
71.62897	4.3
73.02935	3.3
78.64215	2.0
81.03470	2.9
83.05012	3.6
83.43791	2.0
84.02183	3.8
93.07056	2.6
97.06578	6.1
106.04254	2.5
109.06593	5.2
110.44745	1.9
111.08160	46.3
112.08486	3.6
119.04993	3.4
121.06578	2.4
123.08186	13.8
125.09715	11.3
127.07628	2.6
127.11275	8.9
135.04539	4.5
135.08160	9.6
137.09698	2.4
139.07703	2.7
149.09686	2.8
153.09207	11.0
155.10785	12.7
159.83650	2.2
161.02448	5.2
163.11371	4.0
167.10783	12.5
169.12303	5.3
171.10271	79.3
172.10501	4.2
179.03516	2.7
183.01176	14.9
183.10271	8.5
185.11832	50.0
191.14488	3.8
195.10251	4.5
197.11845	35.3
199.13438	2.7
201.11311	71.2
202.11642	3.0
209.11882	11.7
211.13406	2.6
213.11311	17.1
215.12785	3.2
225.11255	2.7
227.12894	9.2
235.13347	4.6
245.19078	7.1
289.17929	11.3
307.19006	12.0
325.14795	13.4
325.20209	100.0
326.20734	10.4
326.23984	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	325.2021
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.73766	1.8
57.03445	9.7
59.01381	44.2
60.10335	1.7
63.63236	1.9
69.03461	3.8
69.50688	13.1
69.51099	2.8
71.01378	2.5
71.05018	7.3
78.20002	2.1
79.05525	4.4
80.02676	2.6
81.03490	2.9
83.05022	12.4
84.02169	4.3
85.02943	2.8
93.03442	3.2
95.05038	8.6
97.02925	2.6
97.06576	9.9
99.00870	2.6
106.04208	3.2
109.06577	4.4
111.04536	6.7
115.07634	2.9
119.05045	2.7
120.51731	2.2
123.08181	8.5
125.09731	5.1
127.07674	4.1
127.51450	2.0
135.04552	2.5
135.08174	10.6
137.09711	8.2
145.02905	2.9
153.09203	6.1
154.13062	2.2
163.11307	6.2
165.12871	2.9
171.10266	41.9
172.10599	2.9
179.03508	2.8
183.10287	2.8
183.13913	2.4
185.11812	8.7
193.12314	5.6
197.11885	6.4
201.11354	3.8
205.15924	2.9
207.10155	2.0
209.11821	62.9
210.12137	5.8
211.13414	6.2
227.12943	6.7
235.13434	4.0
237.15021	6.3
238.12039	2.0
245.18987	6.9
249.14868	12.9
281.08316	4.5
289.18137	16.0
307.19095	32.2
308.19467	3.1
308.64499	2.2
325.03201	2.9
325.20215	100.0
326.20511	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	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86198	0.3
60.80676	0.3
69.29892	0.9
69.30317	2.2
79.95764	1.3
90.04480	0.3
119.05042	1.6
126.66957	0.3
129.31110	0.3
142.01358	0.3
156.05380	0.3
161.11522	0.3
170.00417	1.6
183.01212	52.7
184.01732	3.4
197.02765	2.9
198.03351	0.6
211.04393	0.3
216.01009	1.1
225.05899	0.6
226.06689	0.4
230.02518	0.3
239.07443	1.0
256.42780	0.3
261.22253	0.4
325.18417	100.0
326.18759	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	325.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95769	0.5
55.01874	2.5
56.45823	0.5
57.03441	2.4
59.01378	6.8
66.91109	0.6
71.01383	36.2
71.39732	0.5
71.40079	1.1
72.01719	0.8
72.99312	3.9
73.02944	9.7
75.00859	1.1
83.01392	3.6
85.02950	15.1
87.00872	0.9
89.02431	1.2
93.03445	0.7
95.01398	3.0
97.02963	0.6
99.00884	4.4
101.01766	0.8
101.02446	16.2
103.60278	0.5
109.02970	1.0
113.02453	17.2
114.02763	0.7
119.05050	0.7
121.02943	1.7
121.06604	9.6
134.03757	0.7
135.04539	0.8
142.57672	0.5
143.03503	1.2
145.03030	0.9
147.04543	1.6
148.05307	100.0
149.05621	4.6
159.02992	3.3
161.02492	1.1
161.04555	12.6
162.04759	0.7
163.07651	51.1
164.08060	2.7
177.01913	0.6
225.05508	0.8
237.05568	0.7
253.05217	1.2
261.00351	0.5
264.04471	0.7
281.04596	1.4
293.04706	0.6
325.03479	2.8
325.07184	2.7
325.20175	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	325.0929
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
59.01379	13.8
69.30654	0.8
69.76355	5.1
71.01386	7.9
71.01945	0.7
85.02965	2.4
89.02452	5.1
93.03481	0.9
95.01370	1.1
97.05624	0.9
97.15398	0.8
101.02453	3.3
103.56414	0.7
104.03559	2.5
113.02456	5.7
117.03464	20.3
118.03796	1.0
119.05026	80.4
120.05370	3.2
131.05048	1.6
132.05829	1.0
133.06569	2.7
145.02956	100.0
146.03264	4.1
158.03734	0.7
159.04489	5.7
161.06070	5.6
163.04004	56.3
164.04381	2.5
173.06119	2.6
177.05597	1.5
187.04004	34.6
187.59300	0.8
188.04355	2.8
203.07057	0.9
205.05028	6.0
217.05043	2.5
229.05052	1.0
235.06140	2.7
265.07169	3.6
325.09378	3.8
326.12433	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	325.0717
Annotation	Milletenin C
Peak:m/z	Relative Intensity
59.01376	0.5
66.00015	0.2
70.14149	0.8
71.01350	0.3
94.54922	0.2
100.92015	0.2
103.32179	0.2
112.66019	0.3
119.08639	0.4
122.67476	0.2
126.18553	0.2
161.02437	0.6
189.02014	0.3
195.80058	0.2
196.05328	0.2
209.06082	0.6
213.05458	0.2
219.04660	0.2
223.04004	0.3
230.34354	0.2
232.46333	0.2
237.05542	1.2
241.05176	0.6
248.04758	0.6
249.05544	1.0
252.04266	0.4
253.04933	0.5
254.05830	4.6
255.06369	0.5
264.04315	0.5
265.05029	6.9
266.05740	4.6
267.06030	0.3
269.04538	51.8
270.05099	9.6
271.05710	0.5
281.04562	0.4
282.05371	1.0
289.18042	0.5
297.04303	0.3
297.07715	0.2
298.04605	0.2
325.07150	100.0
326.07495	11.3
326.11462	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	325.0929
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
57.03448	1.1
57.58920	0.6
58.00583	0.9
59.01384	17.5
60.35424	0.7
69.51530	2.9
69.51955	2.3
69.55997	0.7
71.01385	10.3
72.99284	1.4
77.03961	0.7
83.01398	1.0
85.02962	3.3
89.02448	7.1
94.25530	0.7
95.01411	1.1
101.02448	3.4
101.99617	0.8
113.02451	7.3
117.02627	1.4
117.03468	25.8
118.03782	0.8
118.84355	0.8
119.03537	2.0
119.05032	32.5
120.05370	1.3
123.15743	0.6
131.05013	2.3
132.05861	1.0
133.02821	0.8
133.06601	3.6
135.04530	1.9
145.02959	100.0
146.03281	6.2
147.04579	0.8
150.76950	0.7
158.03737	1.7
158.92830	0.7
159.04515	8.0
161.06071	8.3
163.04010	29.2
164.04358	1.1
173.06081	2.4
175.04109	0.9
177.05618	2.1
187.04007	44.0
188.04306	2.4
191.07147	1.8
203.07191	0.9
205.05034	8.9
209.06073	0.8
216.48172	0.7
217.05052	2.5
227.61632	0.7
235.06139	3.5
265.07159	5.7
307.08081	0.8
325.03619	1.4
325.09354	5.9
325.12903	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	325.0354
Annotation	Boeravinone F
Peak:m/z	Relative Intensity
51.93879	0.6
53.31651	0.7
59.01384	17.6
71.01366	1.8
72.99309	0.8
73.23860	0.6
85.02947	1.2
101.02450	1.5
103.09519	0.7
113.02429	1.2
114.23429	0.7
119.05018	2.0
127.00361	2.9
135.04526	1.1
136.40446	0.7
145.02940	2.8
161.02448	1.2
163.04059	1.4
163.05510	1.0
167.04988	1.8
169.06583	4.0
179.04999	2.6
180.05772	1.6
181.06537	3.1
183.04494	2.3
195.04514	2.0
196.05283	3.8
197.06049	7.0
207.04506	9.8
208.05226	4.3
209.06119	5.1
210.03185	1.8
211.03917	1.8
222.03253	1.2
223.04022	3.4
224.04773	9.1
225.05563	31.1
226.05885	2.4
227.03557	1.6
233.02417	1.2
234.03169	1.4
235.03998	41.6
236.04579	7.7
237.02063	0.9
237.05516	2.8
238.02676	0.7
251.03522	3.0
252.04321	4.4
253.05055	49.9
254.05396	3.7
263.03482	31.7
264.04047	6.4
268.03934	0.9
269.04443	2.3
270.04880	1.2
279.03021	4.9
280.03769	4.7
281.04538	32.5
282.04739	3.3
290.01932	0.8
297.04111	5.3
307.02487	36.4
308.02847	4.1
310.04816	0.7
325.03519	100.0
326.03812	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	323.2226
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.09051	0.7
56.99084	0.7
59.01374	5.3
69.89829	3.8
71.01414	0.7
77.17539	0.6
87.72599	0.6
110.48593	0.7
123.04523	1.2
137.09711	1.1
165.09196	1.9
165.12918	1.6
191.14357	1.0
193.12340	0.8
207.14049	0.9
235.13396	0.9
261.22171	4.0
279.41849	0.7
287.20306	0.8
305.21213	100.0
306.21570	11.9
306.25012	0.8
323.16821	1.3
323.17950	1.1
323.22256	20.3
324.22510	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
54.61575	1.9
54.80290	2.4
57.03437	3.3
59.01381	23.1
61.98817	3.5
66.78851	2.2
69.39768	13.4
69.40179	3.8
69.91787	1.9
71.01405	2.8
71.05009	7.2
83.05002	2.2
93.73257	2.0
95.01424	2.1
97.06607	3.2
98.19887	3.5
107.15482	2.0
113.02563	2.3
119.08652	2.6
121.10216	12.4
123.08163	2.6
125.09731	11.4
126.66750	2.0
137.09735	14.8
149.09695	7.0
163.11320	3.4
171.10255	22.3
185.11847	21.1
197.11829	5.1
209.11829	2.6
217.15970	3.4
247.20755	2.7
251.03378	2.6
263.53342	2.5
273.18454	4.4
291.19669	100.0
292.20016	10.1
305.21164	31.8
306.21365	4.3
323.18442	3.0
323.22272	63.8
324.22629	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	323.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27831	1.7
57.03452	12.8
59.01377	18.3
67.01849	1.4
69.03452	5.1
70.97575	3.4
73.02934	1.8
80.02659	2.6
81.03455	3.6
83.05033	4.0
85.02923	2.1
94.86018	1.7
95.05028	56.3
96.05339	1.8
97.02923	2.4
97.06592	11.4
101.02490	2.3
107.01419	2.1
109.06594	16.4
119.05032	2.9
121.06625	2.1
123.08178	5.4
125.02441	5.7
125.06065	4.6
125.09725	29.6
135.00876	6.9
135.08171	32.8
137.09749	1.6
147.65691	1.5
149.02446	1.7
163.11310	8.1
179.14497	7.7
183.10307	2.2
185.11812	13.5
197.11801	3.8
207.10339	9.5
209.11794	8.5
211.13313	4.3
214.96533	21.5
223.13387	100.0
224.13597	7.8
263.16418	3.7
265.14471	46.1
266.14774	4.7
278.94485	1.9
287.16501	5.2
295.02686	2.3
305.17587	25.1
306.17883	2.9
323.02243	8.6
323.08075	2.6
323.15347	2.5
323.18680	15.3
324.02112	1.8
324.12567	2.3
324.19223	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
58.00585	3.6
59.01384	100.0
62.05495	1.0
70.04621	4.5
71.01385	54.3
72.99290	2.2
73.02969	1.8
80.87978	1.0
83.01380	2.7
85.02944	9.5
87.00872	1.7
89.02449	57.9
95.01408	4.4
96.95979	1.5
97.97007	1.2
98.19870	1.4
99.08129	1.5
101.02447	35.0
113.02451	21.8
118.96805	1.2
119.03518	27.2
131.03557	1.7
143.03448	1.8
149.04552	1.3
161.04536	1.7
179.05653	1.8
217.26604	1.2
289.55972	1.1
323.13483	90.0
324.13876	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
57.03443	9.5
59.01375	24.7
61.98835	2.8
65.03956	3.2
69.03455	3.6
69.51214	20.3
71.01367	4.2
71.05019	10.3
73.02916	2.9
79.05501	2.5
81.03458	5.8
83.01395	18.4
83.05027	9.9
85.02951	5.5
87.58160	2.6
89.02459	3.0
93.03423	2.5
95.05028	28.8
97.02934	4.3
97.06583	15.4
107.05038	2.7
109.02994	2.9
109.06617	3.1
113.06067	4.1
121.06586	4.8
123.04534	6.6
123.08152	8.7
125.09710	29.2
132.84375	2.8
135.08138	16.6
137.09666	3.3
141.12831	3.4
149.09692	3.9
153.09177	5.7
160.81686	2.5
161.09749	2.5
163.11246	8.8
165.12827	7.0
167.10802	4.9
175.11288	3.0
185.11835	26.3
189.12881	6.2
191.10724	8.7
197.11852	3.0
203.14352	9.0
207.10258	4.9
209.11826	100.0
210.12140	8.0
211.13332	6.2
221.11876	2.8
237.14920	19.3
243.17528	8.2
247.13461	7.6
249.14925	4.5
251.03641	3.1
251.12898	3.6
261.18509	3.3
265.14462	22.2
268.19525	2.2
269.89005	2.5
283.64777	2.8
287.16476	11.4
305.17548	19.0
309.64639	2.6
323.02057	3.6
323.12418	4.4
323.18610	48.9
324.18967	4.1
327.31583	2.5
349.63348	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	323.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85559	1.1
51.39168	1.2
54.27825	1.1
55.01860	2.0
57.03463	8.1
58.00594	3.2
59.01383	100.0
69.03460	1.4
69.79031	7.3
71.01388	64.3
71.05032	1.7
72.01710	1.5
72.99312	4.6
73.02954	8.6
74.30767	1.3
75.00884	32.0
77.43575	1.4
78.95898	3.6
81.03465	4.9
83.01382	4.2
84.23647	1.3
85.02950	16.8
86.00101	1.9
87.00887	8.2
87.04514	11.1
89.02448	53.5
95.01389	4.0
96.96960	4.1
97.02943	1.9
98.19954	2.6
99.00875	3.3
99.04535	11.1
101.02442	40.4
112.96202	1.2
113.02464	26.1
115.04010	6.9
119.03509	26.0
125.02434	3.4
127.00367	1.8
130.08739	1.6
131.03511	2.0
143.03491	9.5
145.05083	7.7
149.04533	2.4
161.04553	36.1
179.05612	8.2
211.00255	1.6
215.37039	1.4
222.41289	1.3
235.08211	10.1
283.08090	1.5
287.06192	2.0
323.03702	2.1
323.09778	64.8
323.13455	42.9
324.10104	5.5
324.13748	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79004	1.4
55.01859	1.7
57.03439	2.2
58.00579	3.7
59.01381	100.0
69.69384	8.5
71.01386	48.5
72.99302	3.7
73.02968	1.6
78.95915	2.8
83.01372	2.1
85.02944	11.5
89.02450	57.3
95.01381	3.8
101.02444	31.5
101.92007	1.5
113.02450	20.1
114.02814	1.5
119.03503	23.0
131.03506	3.2
143.03462	1.8
161.04510	2.2
179.05623	3.5
230.86588	1.4
268.42728	1.6
323.13449	91.7
324.13937	6.7
331.95670	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
58.00585	3.7
59.01383	100.0
60.01696	1.4
71.01385	53.0
72.99309	2.8
73.02940	1.8
78.73916	1.2
83.01376	3.1
85.02963	10.1
87.00874	2.9
89.02445	59.0
95.01376	3.4
101.02449	35.6
113.02448	22.3
119.03507	28.3
131.03477	1.5
143.03477	4.7
149.04584	2.9
161.04503	2.8
179.05531	4.0
237.04437	1.2
323.13470	90.2
324.13818	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	323.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99411	1.0
59.01381	9.4
59.35870	0.9
62.26827	0.9
71.01387	2.1
71.62119	1.4
72.99306	2.8
80.96501	2.2
87.00881	1.3
101.06107	2.0
118.02972	1.8
119.04978	2.0
126.90486	1.9
132.04529	2.5
133.02934	1.1
134.02480	1.9
135.04482	1.8
144.03474	1.8
144.04556	29.9
145.02933	2.5
145.04042	15.7
145.05080	1.2
146.02501	7.2
147.03253	1.4
148.02794	1.9
148.04007	2.3
154.13460	1.0
159.01978	1.0
160.04031	15.6
161.02362	1.6
161.03505	9.9
161.07202	4.0
163.04054	2.1
167.06094	1.5
168.04559	20.8
169.04041	2.3
169.42503	1.0
175.05066	3.0
175.08760	3.0
180.08144	3.1
182.05838	1.0
189.06664	6.0
192.98906	0.9
195.05620	11.2
198.36389	1.0
203.08249	1.5
210.05620	2.2
223.05144	12.5
224.07124	2.6
233.07010	2.4
234.05598	2.1
234.07767	1.2
235.05063	2.6
236.05873	1.6
247.04977	1.6
250.03815	1.6
251.04617	77.6
251.08296	10.9
252.04756	4.0
252.07048	6.7
261.06668	10.5
262.05035	3.5
263.05667	4.6
264.05402	26.7
265.05667	2.1
279.07739	100.0
280.08157	8.6
292.65045	1.0
323.06696	5.0
323.11954	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	322.0931
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
50.48516	1.0
52.62848	1.0
55.01865	1.6
57.03437	2.1
58.00592	3.2
58.08430	1.0
59.01383	100.0
60.01698	1.5
62.58673	1.0
62.83632	1.2
62.86659	1.1
63.38553	1.0
64.67387	1.1
71.01385	49.8
72.01738	1.7
72.99298	5.8
73.02957	2.1
75.00891	1.4
78.12475	1.1
83.01391	3.0
85.02950	11.2
87.00867	2.9
89.02448	49.2
95.01391	3.9
100.33825	1.1
101.02447	23.0
101.06101	1.3
106.68079	1.2
113.02449	20.4
116.05068	37.3
119.03501	17.4
127.69595	1.2
131.03494	1.5
143.03508	1.7
144.04558	1.4
145.02975	2.3
160.04045	55.4
161.04478	4.1
179.05650	4.6
195.62889	1.3
202.05101	26.3
203.05475	1.5
227.86403	1.2
228.94119	1.1
232.06172	4.4
262.07205	36.8
262.09891	2.7
263.07495	3.1
276.43192	1.2
279.07697	2.0
322.09317	52.6
322.15753	3.7
323.09647	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02985	1.9
69.46210	0.2
69.57944	0.7
69.58372	0.9
69.71375	0.2
73.46167	0.2
81.03467	0.5
95.05045	0.6
97.06609	0.4
98.19785	0.2
108.99874	0.2
109.06611	0.5
128.10826	7.2
130.08745	100.0
131.08307	0.3
131.09087	2.7
165.12852	0.9
175.54338	0.3
263.85858	0.2
264.67737	0.3
303.80756	0.2
322.20224	31.2
323.20587	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.3
71.01373	1.5
71.14650	1.8
72.99309	66.1
73.02981	1.2
73.99618	0.9
75.00875	26.7
80.42758	1.0
83.04994	0.9
87.00872	4.1
89.02450	0.8
93.03486	0.8
93.69269	0.8
99.00885	1.8
105.01962	1.3
110.60981	0.8
117.01944	7.0
133.02931	2.1
135.03001	100.0
135.04602	3.7
136.03322	2.6
137.06279	0.9
147.03024	1.4
149.02460	0.9
161.02382	3.9
179.03535	3.3
191.01978	3.4
202.95943	0.8
238.13376	0.9
321.00305	1.1
321.16397	1.3
321.20465	1.2
322.16031	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37058	0.8
57.03446	1.4
58.00590	3.8
59.01382	100.0
66.87322	1.0
69.23524	0.8
69.57033	6.1
71.01385	53.5
71.05010	0.8
72.99310	4.0
73.02938	1.1
74.46322	1.0
83.01389	3.1
85.02957	10.7
87.00874	2.7
89.02448	48.1
95.01389	3.9
99.00894	1.0
101.02448	33.9
113.02443	19.8
113.09725	2.2
119.03506	23.8
131.03513	2.4
141.09229	16.5
143.03474	2.0
149.04520	1.1
159.10274	6.9
179.05658	1.1
279.82153	0.9
301.07849	0.9
321.15552	91.9
322.15952	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94619	0.7
56.29430	0.7
59.01380	100.0
60.01722	1.4
64.31632	0.7
70.66113	2.2
71.01381	7.9
85.02981	1.2
89.02451	7.5
90.50233	0.7
94.11313	0.6
94.73170	0.6
101.02459	4.2
111.41052	0.7
113.02478	3.1
119.03511	3.1
135.04453	0.6
137.75906	0.6
159.03020	1.0
160.07655	0.9
168.65166	0.7
189.83731	0.7
322.13068	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31021	1.6
59.01383	100.0
64.84514	1.5
65.20902	1.2
69.34489	5.0
69.34919	9.9
71.01395	3.1
89.02457	3.5
101.02435	2.4
112.62366	1.7
115.97318	1.5
136.07744	2.6
249.40889	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	319.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53573	1.9
53.92573	1.5
57.03454	3.2
59.01381	100.0
61.54021	2.0
69.03484	1.7
70.83491	4.7
71.01385	27.2
72.99310	2.1
73.02948	16.2
75.00883	2.5
76.70844	2.0
81.03462	2.8
82.47208	1.7
83.01374	6.3
83.05040	4.8
85.02953	9.9
87.00851	2.0
87.04522	12.4
89.02451	7.6
95.01403	1.8
95.05040	4.4
97.06593	4.5
99.04475	2.2
101.02454	15.9
113.02464	10.4
113.06139	2.2
115.07686	2.1
119.03477	2.2
119.05008	7.3
123.04534	3.7
124.04053	11.2
127.00370	5.1
127.08928	1.7
134.06122	6.2
136.04028	2.0
136.07687	10.5
137.02469	4.0
138.05586	2.4
139.07689	2.0
141.05579	5.6
146.06110	3.2
149.04819	3.3
149.06027	1.6
153.09123	1.9
154.05121	14.4
155.07185	2.2
159.06625	47.9
161.04587	3.8
163.03960	3.3
164.07182	24.4
200.99608	5.3
239.12962	2.4
271.11029	2.1
277.12631	1.8
283.11813	4.6
285.04025	5.9
286.04431	6.4
301.13016	14.9
319.08698	3.9
319.13803	26.5
319.17679	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	320.2592
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
51.00275	1.4
58.02960	4.4
59.01376	8.9
72.00919	3.8
72.04537	10.4
78.07647	1.4
78.95905	7.5
80.96521	9.1
82.03003	4.1
84.00901	5.7
84.04536	1.4
86.02480	69.9
100.04043	32.5
102.05617	17.0
112.04031	5.4
114.05614	4.6
192.54532	1.7
205.19647	5.1
209.18913	2.1
231.21069	1.8
233.22742	25.0
234.23206	2.8
247.20781	2.0
248.78262	1.7
259.20895	3.0
277.21722	3.9
282.64999	1.6
300.23380	5.7
318.24359	30.3
319.24561	3.3
320.25937	100.0
321.17377	1.7
321.21429	3.1
321.26102	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	321.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33768	9.4
59.01382	100.0
59.58292	10.6
63.96231	15.6
71.01381	69.5
71.19965	11.4
71.20283	17.8
73.02937	16.0
78.98576	33.1
85.02966	23.6
89.02422	34.1
93.03448	38.6
97.06562	26.1
101.02453	49.7
101.74120	11.7
109.05197	9.7
113.02434	42.1
123.04519	21.3
130.08723	14.5
133.82634	10.2
134.06186	10.6
136.01640	13.8
137.02422	47.6
140.07159	20.1
159.03226	15.6
159.06612	40.7
160.04047	75.2
161.04500	18.8
164.01137	19.4
164.03563	15.2
164.07312	10.9
174.44179	9.8
207.99854	9.9
223.08197	14.4
289.88348	31.1
303.13480	58.0
321.07242	18.7
321.11386	15.2
321.15152	56.4
321.90784	10.3
322.09204	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	319.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01381	10.2
62.17569	0.7
69.48555	5.9
71.01392	2.0
72.99310	100.0
73.99668	1.1
75.00869	20.7
86.89519	0.8
87.00893	4.9
89.02442	1.1
98.19886	1.9
99.00890	2.7
113.02489	0.8
117.01939	8.2
122.06808	0.8
129.10287	1.0
133.02893	1.0
135.03009	77.1
136.03296	1.9
161.02435	2.0
164.07196	0.9
171.74702	0.8
179.03482	1.1
191.01968	3.8
220.30334	0.8
233.16505	1.1
277.16486	0.8
301.12863	0.8
311.80911	0.8
319.14063	3.3
320.80814	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	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
50.62563	0.8
50.71152	0.8
50.71525	0.8
55.01880	1.2
57.03435	2.8
58.00583	3.3
59.01382	65.2
60.01726	1.1
65.19704	1.0
69.81694	4.7
71.01386	36.3
71.04996	1.2
72.01720	1.3
72.97553	1.4
72.99329	4.1
73.02941	3.4
75.00887	1.8
83.01397	3.0
85.02957	10.3
87.00872	2.9
89.02448	28.8
95.01387	3.4
98.20528	1.6
100.98837	1.1
101.02451	26.8
101.99582	3.7
113.02454	14.2
119.03510	12.3
129.31398	0.9
130.03348	0.9
131.03477	1.0
139.07661	14.6
143.03526	1.0
143.10776	2.2
149.04510	1.3
157.08691	2.6
179.05620	1.0
194.55995	0.8
211.14551	0.9
285.04062	3.8
286.04291	3.4
288.01544	0.9
319.13980	100.0
320.14325	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	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.21873	1.0
59.01381	100.0
60.11750	1.3
63.51649	1.2
69.03455	1.4
71.01379	24.1
71.05037	1.2
71.63642	1.7
72.99308	2.3
73.02947	18.5
75.00893	2.2
81.03458	1.6
83.01382	7.1
83.05009	1.7
85.02958	7.3
87.00914	1.8
87.04514	3.2
89.02457	6.5
95.05022	1.8
97.02924	1.5
97.06580	1.9
99.00858	1.4
99.04512	1.7
101.02441	15.3
113.02438	7.8
113.06165	1.6
115.03986	1.5
119.03506	2.4
119.05025	4.5
121.03003	1.2
123.04533	3.3
124.04015	2.0
126.90505	1.5
127.00404	1.8
128.03537	1.5
133.02928	2.1
135.04526	1.8
136.07695	1.8
137.02472	3.1
138.05669	1.2
139.07675	1.2
141.05534	1.6
146.06090	1.7
154.05069	1.2
155.05540	1.2
155.07054	1.3
158.34317	1.2
159.06648	16.5
161.04544	2.1
163.04092	2.0
164.07156	5.3
164.08412	1.4
183.51350	1.3
200.99576	6.4
221.11844	1.3
283.11914	1.9
285.04016	3.9
286.04361	4.8
287.04797	1.5
301.12799	5.4
319.09268	1.6
319.13739	10.7
319.17496	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	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01856	1.3
57.03439	1.7
58.00591	2.7
59.01383	74.4
64.38042	0.8
69.84954	1.8
69.85371	2.8
71.01383	41.0
72.55185	0.9
72.99304	3.4
73.02941	2.8
75.00877	1.0
83.01398	3.2
85.02959	10.6
87.00879	1.3
89.02445	34.5
94.71150	0.8
95.01385	3.0
101.02444	23.2
102.02882	0.9
113.02454	14.3
119.03516	16.7
139.07663	19.9
143.03479	0.8
149.04514	1.0
151.04741	0.7
157.08693	2.3
161.04553	1.5
179.05617	0.8
190.60181	0.8
252.57280	0.8
285.04279	1.8
286.04431	2.6
301.12665	0.9
319.13974	100.0
320.14362	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	319.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40258	3.2
57.03431	3.6
59.01386	46.3
69.41884	21.5
71.01385	23.1
89.02454	17.5
94.27350	2.6
99.00884	3.5
101.02442	10.3
111.08169	11.3
112.04057	10.7
113.02460	8.6
119.03514	7.4
120.04575	4.5
121.05338	5.4
122.06105	9.7
123.03255	15.6
124.04066	15.5
135.04558	4.0
136.07680	56.8
137.02461	3.2
137.06126	5.1
138.05611	100.0
139.05978	6.2
139.07686	6.9
140.07155	3.4
157.08682	36.6
158.09033	3.3
161.04611	3.4
182.04599	12.1
183.05373	3.8
184.06166	26.0
187.13478	4.0
257.12958	15.6
319.08374	2.7
319.13974	57.8
319.21161	30.2
320.14569	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	319.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44931	0.9
59.01374	4.6
70.00015	1.1
87.16738	1.2
93.03484	2.5
95.05056	1.3
111.04530	1.4
112.04052	11.5
119.05008	5.3
120.04516	3.0
121.05338	6.0
122.06111	7.9
123.03254	18.1
124.04057	20.4
130.77879	1.1
134.06123	1.7
136.07686	59.5
137.02417	2.1
137.06065	4.8
137.08015	2.3
138.05614	100.0
139.05936	4.6
140.07127	3.8
145.02948	1.0
150.05579	1.7
163.04007	4.7
164.44037	1.2
166.05038	1.1
182.04602	10.1
182.39777	1.1
183.05301	6.8
184.06157	25.4
185.06448	2.2
215.04301	3.0
220.96550	1.1
257.12988	11.9
301.11795	1.9
319.08469	1.0
319.12769	5.1
340.26056	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	319.0824
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
59.01376	14.9
60.31876	0.8
62.99820	0.9
65.03954	1.9
69.08860	0.8
69.63553	1.9
69.63971	4.6
71.01384	8.9
73.02954	3.4
81.03472	2.9
83.05025	6.5
85.02943	2.3
89.02430	8.1
93.03463	39.2
95.01379	1.3
96.96016	0.9
98.20656	0.9
101.02460	4.2
109.02956	1.6
111.04526	12.2
112.04060	5.2
113.02470	3.2
116.05059	1.2
117.03477	6.3
119.05029	100.0
120.05371	4.8
121.02956	0.9
121.05333	2.3
122.06149	4.5
123.03280	7.6
124.04031	7.7
126.01859	0.8
136.07681	24.4
137.02444	26.3
137.06085	2.1
137.07982	1.0
138.02794	1.2
138.05608	43.5
139.05898	1.5
139.07664	3.2
140.07155	1.5
143.03493	1.1
145.02957	21.7
146.03299	1.0
155.03506	21.2
163.04010	98.8
164.04330	6.3
173.04553	1.2
182.04576	3.0
183.05388	2.2
184.06143	10.1
187.12300	1.0
203.08377	1.2
215.04378	1.6
257.12994	5.3
265.60245	0.8
283.07266	1.4
319.08194	13.2
319.12192	1.5
319.21274	2.0
320.08459	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	317.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65393	0.6
57.03449	3.5
59.01382	16.9
69.63971	1.3
69.64381	2.4
71.01376	1.3
71.05018	3.5
72.99319	2.0
84.99319	0.8
85.06600	0.8
87.00876	11.6
97.06598	0.7
101.06116	1.1
103.00378	7.4
105.43902	0.5
109.06612	2.7
112.98822	16.0
127.07660	10.3
130.99863	1.5
139.11285	1.8
139.68678	0.5
149.00900	1.2
151.80545	0.6
165.93614	0.6
166.95505	0.5
167.10803	1.1
173.08192	0.8
173.11815	1.5
183.10283	0.6
185.11832	100.0
186.12213	6.1
317.12479	3.3
317.19653	22.1
318.20023	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	319.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50391	10.6
59.01383	68.8
59.51444	10.5
63.70440	10.4
68.99565	20.5
70.38874	41.4
71.01394	28.6
72.99308	22.0
73.02940	20.1
85.02957	14.3
89.02450	24.1
92.92817	80.9
94.92519	100.0
98.19999	15.1
101.02422	27.6
108.90199	16.7
110.89903	20.1
112.98559	25.8
113.02461	16.9
126.90514	63.2
139.56432	12.6
154.90494	11.0
155.19586	14.1
162.89313	21.9
175.75174	10.8
182.47635	11.6
243.11024	10.1
244.90254	11.8
247.01364	11.2
283.10345	52.0
286.04343	14.7
287.04413	14.4
301.11884	16.3
318.73596	14.1
319.07980	67.9
323.06555	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	316.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38014	0.4
57.88695	0.5
59.01392	2.9
67.01904	0.5
68.01418	1.5
69.77048	1.4
69.77441	1.4
71.01385	2.0
72.99319	0.6
74.02483	1.2
78.95894	0.8
85.02972	0.7
88.04042	1.6
89.02465	1.4
96.96007	0.7
96.96956	0.8
101.02406	0.9
108.02201	2.1
108.04576	0.8
109.01830	0.6
109.02988	10.4
110.02484	22.4
110.03296	8.1
110.06042	0.6
111.02846	0.8
112.04034	5.1
113.02454	1.3
117.05619	0.5
122.06178	1.0
123.04588	2.6
124.04054	1.6
124.04871	1.4
126.05613	1.9
134.41458	0.5
136.04053	100.0
137.04375	4.1
139.02766	1.4
149.00951	0.7
150.05585	1.1
152.01106	0.7
152.03557	1.5
153.01956	10.0
153.05556	3.3
154.02321	11.7
154.04994	13.1
155.02415	0.9
160.84235	0.7
165.04326	1.1
178.05127	1.5
183.05463	0.5
184.84367	0.6
196.06221	0.7
214.00386	1.4
218.10442	1.1
272.07785	2.8
298.09406	1.5
301.08047	1.0
316.07318	6.1
316.10748	4.4
316.13867	0.8
316.18771	0.9
317.07748	0.7
326.81543	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	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
61.34071	0.3
65.03951	0.6
71.01357	0.4
71.28871	0.7
80.92956	0.3
94.18574	0.3
95.05041	0.7
102.65479	0.3
103.62422	0.3
105.02264	0.3
108.02170	0.4
109.02952	9.4
120.11908	0.3
122.03732	0.6
123.04530	65.1
124.04848	2.3
135.00893	0.4
153.02011	5.9
153.05577	100.0
154.05917	4.8
157.60437	0.4
214.20744	0.3
241.83925	0.4
315.07172	2.1
315.10788	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	315.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57684	0.7
57.03448	1.1
58.00598	0.9
59.01383	20.6
67.05523	4.9
69.03477	1.1
69.63052	5.0
71.01374	1.1
71.05021	5.3
72.99316	2.7
84.99321	1.6
87.00876	19.1
93.03482	2.4
98.20591	1.7
103.00372	13.0
108.02176	1.2
109.02967	1.8
111.04523	100.0
112.04867	4.5
112.98814	25.4
123.04529	1.3
125.06087	1.3
126.03482	0.8
126.33213	0.7
127.01912	0.9
130.99841	2.0
133.02972	0.9
133.43591	0.9
135.04561	0.9
137.02451	3.8
139.11290	1.1
149.00934	2.9
153.05615	2.3
165.09140	0.8
183.10263	87.6
184.10561	4.6
187.07652	1.4
215.07106	1.5
243.06558	4.2
287.05600	6.9
288.05991	1.1
300.10062	1.5
306.17691	0.9
315.04977	3.8
315.10672	4.9
315.18286	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	315.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.8
69.03455	5.8
71.01376	1.4
72.99330	2.3
84.99310	1.1
87.00885	15.5
91.84816	1.0
93.07137	0.9
97.06580	1.0
98.19894	2.1
103.00381	11.0
108.02151	4.4
109.02955	3.7
112.98817	17.7
113.06097	10.8
121.10252	4.8
130.99869	3.6
137.02390	1.4
145.06183	1.1
149.00909	3.9
152.01140	2.2
153.01953	2.1
153.05550	1.1
153.09259	4.7
165.09152	2.6
183.10265	100.0
184.10574	5.6
256.48895	0.8
271.05948	0.9
315.07275	3.3
315.10745	2.1
315.15320	1.0
329.44357	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	315.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44923	0.9
52.62022	0.9
56.12328	0.8
56.55816	0.8
57.03454	1.5
59.01382	27.2
72.97779	0.9
72.99300	1.3
84.99303	1.6
87.00878	13.8
93.07094	1.8
97.97818	0.9
100.78207	0.9
103.00375	9.2
104.11716	0.9
111.04498	1.5
112.98817	20.8
119.08636	1.0
121.10242	9.4
130.99887	1.9
149.00877	2.6
149.56770	0.9
165.08005	1.3
165.09215	7.9
166.90102	1.0
168.69955	0.8
170.35957	0.8
183.10266	100.0
184.10571	7.0
214.01938	0.9
315.10895	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	315.0875
Annotation	Philenopteran
Peak:m/z	Relative Intensity
59.01381	1.0
65.00311	1.7
68.99822	4.8
71.64101	0.5
73.02944	3.8
73.86547	0.4
76.07822	0.3
83.05049	0.6
92.99863	0.4
95.01371	0.9
99.00897	2.0
101.02477	0.9
101.03959	0.6
109.02919	0.5
110.00117	1.5
111.00857	0.9
112.98817	1.5
115.05566	0.9
117.03431	0.5
120.47198	0.4
125.02447	0.8
125.99576	0.7
127.05493	0.6
136.98816	2.1
137.99576	0.9
139.05518	3.5
140.01158	1.0
141.01918	1.8
143.04985	0.4
149.67984	0.4
153.01927	0.7
161.02525	0.5
162.02802	1.0
163.02982	0.5
165.99030	0.9
167.04985	0.7
169.01414	0.8
169.06587	1.3
171.04523	13.9
172.00114	1.8
172.04991	0.7
179.84482	0.4
180.05786	0.5
184.05255	3.9
185.05956	0.5
187.13402	0.4
195.04488	0.9
196.05339	2.9
197.06078	0.7
200.04750	0.5
211.03946	2.9
212.04787	4.1
213.05501	1.1
223.03973	0.6
224.04797	0.8
225.05518	0.4
227.03723	0.4
230.05916	0.5
240.04312	2.4
241.05061	18.8
242.05504	1.1
244.03755	2.5
253.05098	1.1
255.06633	4.2
256.06937	0.6
268.03772	9.7
269.04404	3.2
270.05234	1.6
275.14890	0.7
283.06104	9.4
284.06424	1.2
285.07486	0.4
287.09271	8.2
288.09543	0.9
300.02710	1.1
315.08737	100.0
316.09061	10.6
316.11819	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01372	0.9
59.57099	0.5
71.01392	1.6
71.03313	1.2
71.29791	0.5
73.02934	0.6
74.47020	0.6
81.03488	1.0
83.01408	0.7
85.02949	2.2
92.92806	2.4
93.62672	0.5
95.01396	1.3
99.00881	0.5
101.02447	0.7
108.02176	100.0
109.02972	43.7
110.03289	1.2
113.02462	1.0
117.05591	1.0
121.02946	1.2
123.00868	1.0
123.04480	1.3
133.03030	0.6
151.04028	1.4
152.01155	64.3
153.01944	35.7
154.02257	1.6
163.03979	1.6
165.01926	2.1
315.07217	78.3
316.07599	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03444	0.4
61.51934	0.4
65.03969	7.1
67.01878	2.5
69.83980	0.5
71.01392	2.5
71.03474	0.8
73.02943	0.9
78.46440	0.4
85.02955	0.8
101.02449	1.4
109.02956	100.0
110.03287	2.5
113.02474	0.9
120.70480	0.4
123.04531	0.5
135.00888	5.1
153.01938	70.7
153.73383	0.4
154.02235	2.2
159.02988	0.4
161.04585	1.2
315.07217	26.0
316.07681	1.7
324.02615	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
69.80334	3.5
71.01375	2.1
71.86509	0.5
84.75051	0.6
85.02941	2.3
95.01362	1.6
96.76509	0.6
101.02448	0.8
105.96265	0.6
108.02176	100.0
109.02969	29.5
113.02442	0.8
121.02944	1.0
123.00880	1.1
123.04517	1.1
133.03012	0.5
139.68268	0.7
141.27162	0.6
151.04031	1.7
152.01152	65.5
153.01949	29.1
153.64723	0.6
154.02371	0.8
163.03963	1.5
165.01909	2.0
169.42520	0.6
179.51900	0.5
315.07205	76.1
316.07510	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	314.9786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79123	1.1
54.83269	1.0
59.01383	100.0
61.98822	3.2
64.81165	1.3
69.67442	7.8
87.92551	1.4
99.92603	2.0
103.92038	9.5
121.92328	6.2
122.89365	2.5
139.88857	1.9
140.89708	9.3
141.86823	24.0
142.87622	2.2
157.86333	1.5
159.87874	9.9
164.90477	5.1
182.89084	1.8
183.92303	3.6
184.88696	9.4
186.85570	2.3
188.14268	1.2
188.85364	1.6
188.98584	10.6
197.80334	2.4
205.86119	1.2
212.82768	3.2
212.87898	4.2
214.80533	4.7
231.80840	8.6
232.97543	60.9
233.97856	2.9
238.86736	1.3
253.83696	1.5
254.82057	1.9
256.81647	9.1
258.82913	2.4
273.81940	11.9
274.82660	3.6
288.80579	1.6
300.02618	2.1
315.19547	1.6
315.82953	16.7
327.06534	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	314.2702
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.32253	0.9
59.01389	8.3
65.00278	1.1
69.44650	1.4
69.45065	6.5
70.02990	0.9
74.06112	1.0
78.95889	1.5
90.08855	0.8
98.19878	1.4
123.04528	1.7
133.02934	1.9
134.03322	1.0
143.61258	0.8
151.73257	0.9
152.99568	1.0
153.23431	0.9
161.02466	6.3
162.02733	5.2
171.04552	2.0
190.05048	0.9
202.21867	0.9
241.05238	1.2
251.93510	0.9
268.03632	1.4
268.26498	2.7
270.24457	1.3
287.09344	2.0
296.22711	1.2
300.02835	2.6
314.27026	100.0
315.05014	2.1
315.08670	12.5
315.19681	5.5
315.25137	3.7
315.27411	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	313.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.2
65.03962	1.0
69.83672	3.9
72.99292	1.3
81.03461	1.1
85.02972	1.3
87.00879	8.3
88.41689	1.0
93.03474	1.7
93.07095	10.6
103.00371	4.1
108.02177	4.2
109.02956	100.0
110.03289	3.8
112.98809	8.7
115.05485	1.3
119.05023	2.8
119.08675	37.3
120.08987	2.0
121.02946	4.8
123.04512	4.7
129.03455	1.5
130.04236	1.1
130.99863	1.1
131.05005	3.1
133.02957	21.0
135.04514	11.5
137.09720	1.8
145.02963	4.8
146.03752	5.5
147.04530	27.8
149.00900	3.6
149.02362	1.0
150.03195	1.2
151.03981	3.0
153.05513	1.0
158.03703	1.9
159.04520	32.5
160.04898	2.7
161.02448	45.7
162.02736	1.7
163.03987	2.5
163.07648	5.5
164.28746	0.9
174.03201	1.2
175.04039	4.5
181.08719	69.5
182.08965	3.4
185.06065	1.0
189.01918	1.3
191.03430	2.2
197.04509	4.1
197.06129	1.1
203.03516	18.2
211.04016	1.4
216.88741	0.8
223.07707	1.0
225.05455	1.1
226.06256	1.1
229.46059	0.9
237.05547	2.3
239.06967	1.7
241.04973	0.9
250.06322	1.5
251.07115	3.6
254.05753	2.9
266.05655	1.1
267.06665	5.5
268.07104	1.1
269.08197	35.5
270.08514	2.8
281.79938	0.9
285.07022	2.1
295.06079	5.4
313.07040	34.6
314.07278	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	313.0719
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
57.66437	0.2
60.45922	0.3
68.21296	0.2
69.58125	0.9
69.58559	0.5
98.20685	0.4
102.75504	0.2
105.03474	0.9
108.02144	0.2
109.02958	0.7
115.07320	0.2
117.03490	0.3
119.05009	0.3
121.02983	0.2
122.03754	0.6
123.04534	5.6
124.04831	0.3
132.02171	1.5
133.02960	31.4
134.03304	1.5
135.04526	0.6
137.02419	0.3
145.02916	0.3
149.02434	0.4
149.15117	0.2
150.03209	1.9
151.04016	6.2
152.04276	0.3
159.04411	0.3
161.02452	100.0
162.02780	5.4
168.00780	0.2
177.01857	0.2
203.58360	0.2
255.39345	0.3
260.83609	0.2
269.08237	0.3
283.02469	0.4
298.04736	0.3
306.82312	0.3
313.07208	1.9
314.07452	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	313.0718
Annotation	CHEBI:68130
Peak:m/z	Relative Intensity
57.02486	0.3
59.01361	0.5
65.00330	0.3
69.64262	0.7
69.64671	1.4
81.03464	0.5
87.00835	0.4
91.01891	0.6
91.05526	0.6
93.03471	1.0
95.05044	0.4
105.03488	0.4
108.02180	3.2
109.02957	100.0
110.03305	3.2
112.98860	0.4
115.05529	1.0
117.03466	0.4
119.05015	0.8
119.08661	1.7
121.02951	1.3
123.04539	1.8
127.22092	0.3
129.03459	0.5
130.04251	1.2
131.05035	2.4
133.02960	7.9
134.03539	0.3
135.03474	0.5
135.04530	10.7
136.04861	0.5
137.02435	0.8
141.44379	0.3
145.02956	2.5
146.03778	1.6
147.04520	7.1
148.04803	0.6
149.00893	0.4
149.02454	0.6
149.06049	0.4
150.03217	0.5
151.03966	0.6
158.03737	1.4
159.04515	34.2
160.04860	2.2
160.98917	0.3
161.02446	5.9
163.04022	3.5
163.07585	0.3
172.05304	0.3
173.02443	0.9
173.06018	0.4
174.03235	2.3
175.04005	4.4
177.05614	0.4
181.08716	2.2
185.06102	1.4
187.03966	0.3
189.01949	1.1
191.03511	2.3
195.08189	0.4
196.05443	0.4
197.06155	0.9
198.06853	1.2
199.03928	0.5
199.07640	1.2
200.04865	0.3
201.05635	0.3
202.02777	0.3
203.03508	21.2
204.03926	1.3
208.05238	0.3
209.04190	0.3
209.06123	0.8
211.04099	0.4
211.07620	0.6
213.05777	0.5
213.09187	0.4
221.05995	0.6
222.06844	0.8
223.07690	1.5
224.04823	0.5
225.05548	1.1
226.06340	0.7
227.07089	1.1
229.05028	0.6
233.06186	0.3
237.05556	2.5
238.06279	0.9
239.03488	0.5
239.07164	2.5
240.04231	0.3
241.05133	0.8
241.08708	1.2
249.05576	0.8
250.06343	1.2
251.07114	3.1
252.07765	1.0
253.05200	1.9
254.05855	3.5
255.06427	0.4
257.04660	0.6
257.07333	0.5
266.05804	1.3
267.06607	5.3
268.07233	0.9
269.08203	26.7
270.05984	0.4
270.08575	1.9
277.05057	0.3
284.06540	0.3
285.07156	1.6
295.06085	3.9
313.07162	33.3
314.07523	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	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54398	0.2
69.75114	1.3
75.86172	0.2
81.76208	0.2
93.03475	0.2
95.05048	0.3
105.03470	0.8
109.02961	1.2
117.03512	0.2
121.02934	0.3
122.03750	0.4
123.03698	0.4
123.04528	4.8
132.02150	1.3
133.02960	28.8
134.03236	1.2
135.04526	0.6
139.80585	0.2
141.20811	0.2
149.02460	0.4
150.03226	1.8
151.04016	6.0
152.04344	0.4
156.96326	0.2
159.04535	0.3
160.04730	0.2
161.02444	100.0
162.02789	5.8
163.04018	0.2
177.02022	0.2
177.83792	0.2
217.19582	0.2
269.08179	0.4
313.07129	2.2
314.07626	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	313.0718
Annotation	CHEBI:68130
Peak:m/z	Relative Intensity
55.07139	0.7
59.01371	0.8
67.08154	0.6
71.18040	1.3
72.25036	0.8
75.30940	0.7
83.23272	0.7
91.05543	1.0
93.03455	1.3
95.05000	0.6
101.03962	1.3
103.05543	0.7
108.02171	1.6
109.02954	44.6
110.03303	1.0
119.05030	6.6
121.02970	6.0
123.04544	3.3
129.03482	8.0
130.04268	1.4
131.05023	1.5
133.02959	1.1
135.04564	1.4
137.09775	0.8
145.02960	11.8
146.03758	23.1
147.04532	100.0
148.04871	4.7
153.72852	0.6
158.03748	1.4
159.04527	33.4
160.04895	1.9
161.02518	3.2
181.08711	1.3
203.03502	0.9
250.06100	0.7
251.07092	1.5
252.07832	1.7
254.05861	1.1
267.06635	0.7
269.08185	55.1
270.08530	5.2
313.07196	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	313.0717
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
59.42100	0.2
64.27956	0.2
77.03954	0.3
77.47482	0.2
90.45532	0.2
95.05063	0.2
104.02706	0.2
105.03449	0.6
108.02210	0.3
109.02950	1.1
110.58960	0.2
118.15805	0.2
121.02945	0.4
122.03751	0.4
123.04530	4.7
123.68336	0.2
131.46555	0.2
132.02168	1.4
133.02957	31.1
134.03299	1.3
135.04501	0.4
149.02473	0.2
150.03233	1.8
151.04010	6.2
152.04297	0.2
161.02443	100.0
162.02785	5.9
163.04027	0.5
177.01988	0.3
225.98671	0.2
269.08243	0.8
313.07162	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	313.0717
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
50.87097	0.4
51.91133	0.4
59.01396	0.4
63.38181	0.3
64.86095	0.4
66.19607	0.3
70.08781	1.7
93.03449	0.5
105.03548	0.4
109.02960	1.1
121.02957	100.0
122.03282	3.8
123.04536	3.0
132.02162	1.3
133.02959	20.1
134.03264	0.6
135.04483	0.6
147.04443	0.3
149.02446	0.6
150.00349	0.3
150.03209	0.9
151.04005	3.8
159.04488	0.5
161.02444	63.6
161.16388	0.4
162.02777	3.4
177.01909	0.4
180.05812	1.0
181.06584	4.3
225.05556	7.8
226.05783	0.4
269.08307	1.1
295.22528	0.5
313.07178	15.6
313.10858	0.8
313.23944	0.7
314.07523	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	313.0717
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
56.01022	0.2
68.12462	0.2
77.03960	0.3
79.36140	0.3
87.91975	0.2
98.20663	0.4
105.03457	1.1
108.02149	0.3
115.01971	0.2
116.40579	0.2
121.02975	0.4
122.03750	0.4
123.04524	6.3
124.04909	0.3
132.02159	2.5
133.02954	36.8
134.03291	1.9
135.04451	0.2
149.02426	0.5
150.03247	2.6
151.04021	6.2
151.05232	0.4
152.04366	0.4
161.02440	100.0
162.02771	5.0
198.95129	0.2
214.65623	0.2
221.75952	0.2
313.07196	1.5
334.50214	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	313.0718
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
50.88522	0.2
62.95137	0.3
69.44068	0.5
69.44470	1.9
71.01379	0.3
77.03963	0.3
79.81612	0.3
88.58121	0.3
98.20574	0.4
105.03439	0.6
108.02128	0.3
109.02955	8.1
115.01897	0.4
115.05450	0.3
117.03536	0.3
120.23806	0.3
121.02944	0.4
122.03662	0.4
123.04525	5.4
131.05005	0.3
132.02156	1.4
133.02957	31.5
134.03329	1.0
135.04515	1.9
147.04550	1.0
149.02425	0.6
150.03206	1.3
151.04004	5.9
152.04314	0.3
159.04526	3.1
161.02443	100.0
162.02771	5.0
163.04036	0.6
175.04028	0.3
177.01924	0.4
179.03540	0.6
191.03542	0.6
203.03464	1.2
234.94678	0.3
255.15437	0.3
262.17297	0.3
267.06573	0.4
269.08145	1.4
313.07144	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	313.0717
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
63.98464	0.2
69.75551	1.7
94.23956	0.2
105.03451	0.8
109.02964	0.7
119.04994	0.3
122.03767	0.3
123.04522	5.1
132.02206	1.5
133.02957	31.7
134.03296	1.2
135.04527	0.6
149.02409	0.4
150.03221	1.9
151.03999	6.3
156.89233	0.3
161.02441	100.0
162.02774	4.6
202.00070	0.2
250.64702	0.2
269.08209	0.5
312.69983	0.3
313.07126	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	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10167	0.7
71.01383	21.4
80.05228	0.7
83.01366	0.7
89.00346	2.4
91.01892	1.1
106.00610	3.3
109.02953	27.6
110.03297	1.1
111.00875	1.2
113.65604	0.7
114.99644	1.0
115.00382	10.2
121.02958	49.8
122.03297	1.8
123.00888	3.1
123.04440	1.1
127.00372	1.2
133.02966	4.8
135.04515	5.7
138.03220	2.6
147.04509	3.0
153.05576	32.6
159.04523	11.3
161.02444	5.3
163.04010	1.6
166.99860	1.7
175.04004	1.0
179.03545	1.0
182.02214	6.1
197.04546	100.0
198.04933	5.1
203.03476	6.5
239.07149	1.0
251.07094	1.6
254.05847	1.0
267.06519	1.6
269.08255	7.0
285.06790	1.8
295.05994	1.6
313.07022	11.1
314.07700	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	313.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67859	0.5
55.01877	0.6
57.03426	0.7
59.01381	1.3
67.53017	0.5
68.99812	1.7
69.03458	1.0
69.99244	2.8
71.01380	3.4
72.99268	0.5
73.02953	4.2
75.00880	0.6
79.71433	0.4
81.03455	2.0
83.01369	1.3
85.02946	3.5
87.00888	1.6
95.01392	1.3
99.00869	3.0
101.02443	3.9
108.02177	37.2
109.02956	41.9
110.03295	1.4
111.00860	4.2
113.02406	2.5
116.93477	0.5
121.02950	1.1
123.00928	1.6
123.04506	0.5
129.01952	1.8
133.02939	0.6
133.53664	0.5
135.00859	0.5
141.01976	1.2
149.02568	0.6
151.03973	0.8
152.01149	29.6
153.01935	100.0
154.02303	4.2
159.03011	2.2
159.04433	1.2
181.01476	1.1
187.77737	0.6
196.02988	0.5
197.04561	1.4
269.08115	1.1
283.04535	0.9
313.05609	12.9
314.05911	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	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.44684	0.5
57.03441	1.7
58.00604	0.6
59.01382	6.9
69.03463	1.0
69.52380	4.0
71.01392	1.1
78.11171	0.6
81.62859	0.5
83.05033	1.3
99.08163	2.6
109.02971	1.1
113.09737	2.8
121.10262	0.6
123.08124	0.9
125.09710	1.6
127.11278	2.5
129.09247	5.4
135.04503	0.6
139.11287	5.3
140.11716	0.6
141.09261	0.8
141.12758	0.6
149.02402	0.6
150.03217	2.2
151.11285	1.0
153.09213	0.6
155.10750	2.3
167.10844	0.9
169.12325	2.2
171.10272	28.0
172.10571	1.7
174.03249	0.8
181.12338	3.8
183.01187	1.6
183.10277	1.6
183.13913	1.8
185.11841	3.4
193.12354	1.0
197.11833	7.9
199.13422	4.0
201.11346	6.6
211.13393	13.3
212.13762	1.4
235.04268	0.6
237.05789	0.5
265.21741	1.2
267.06625	0.6
267.23248	0.6
275.20163	3.7
283.06131	0.9
293.21234	16.0
311.05875	3.2
311.17236	3.0
311.22284	100.0
312.22733	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	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03431	2.6
59.01368	1.9
70.07112	3.9
108.36501	0.8
121.10237	1.9
123.08172	1.4
125.09706	3.3
127.11305	7.2
137.09718	1.7
139.11293	19.3
141.12907	1.2
141.42131	0.9
150.03239	11.1
151.11253	1.3
153.09198	1.5
155.10767	3.2
165.09204	1.0
167.10713	1.1
171.10271	91.9
172.10612	3.7
183.10263	7.8
185.11832	19.4
186.12123	1.2
199.31413	0.9
201.11328	14.9
245.37704	0.9
261.55225	0.9
267.06662	0.9
267.89136	0.8
275.20111	7.9
276.07047	0.8
293.21246	31.4
294.21512	2.1
311.05627	2.1
311.22278	100.0
312.22617	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	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03451	1.7
59.01383	6.5
65.14713	0.6
66.37740	0.6
69.41862	1.7
69.42267	4.1
80.35241	0.6
81.03455	0.7
83.05011	1.6
89.48999	0.7
97.02956	1.5
97.06593	1.1
98.19842	1.2
99.08190	1.4
102.08202	0.6
109.02939	0.6
111.08166	1.3
113.09709	2.1
121.10220	2.1
125.09725	2.8
127.11285	3.4
137.09656	1.5
139.11287	11.5
140.11792	0.9
143.07187	0.7
149.02383	0.7
150.03217	3.0
151.11368	0.9
153.09286	1.1
155.10808	2.2
165.12793	1.5
167.10770	1.0
171.10268	43.7
172.10611	2.2
183.10269	2.6
185.11823	7.1
193.12312	10.5
195.13919	0.9
197.11806	1.5
198.12225	1.3
199.12390	1.5
201.11295	6.5
211.13379	6.5
249.22322	1.0
262.88110	0.7
263.37570	0.7
265.21805	0.7
272.10873	0.8
275.20172	2.4
283.06122	1.1
293.21243	23.7
294.21552	2.5
311.05719	2.9
311.22278	100.0
312.22620	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	311.2017
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01384	0.8
61.16899	0.2
64.89362	0.2
92.11702	0.3
133.06599	2.4
149.09720	100.0
150.10057	5.2
161.02258	0.2
180.66341	0.3
183.01202	11.6
184.01964	1.7
197.02664	0.4
216.00949	0.9
230.85059	0.3
235.14908	0.3
311.16837	22.4
311.20200	55.6
312.17142	2.1
312.20569	7.1
333.76535	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.83185	0.7
57.03454	2.0
59.01381	6.4
66.91667	0.9
68.89902	0.8
69.03452	1.1
69.67591	4.9
71.05047	0.9
77.48781	0.9
83.05013	1.0
95.41393	0.8
97.02963	1.3
97.06605	2.1
99.08218	1.0
107.76227	1.0
113.09729	6.5
121.10260	2.7
125.09713	2.9
127.11283	3.0
137.09750	2.2
139.11290	25.8
140.11641	1.4
145.62109	0.8
150.03229	10.1
153.09268	1.6
155.10768	2.6
165.12892	1.5
167.10744	1.3
171.10287	41.2
172.10580	1.7
174.86868	0.8
177.12981	1.0
185.11862	2.6
195.13882	1.6
201.11333	2.1
211.13371	5.1
275.20203	2.1
278.89624	1.0
293.21231	30.8
294.21552	3.1
311.05893	1.8
311.22290	100.0
312.22607	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	311.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
69.36633	1.3
69.37057	1.1
79.95704	1.5
98.20578	0.6
105.51826	0.3
109.02884	0.4
119.05027	1.2
146.89281	0.3
170.00401	1.5
183.01199	52.6
184.01686	2.6
197.02782	4.6
198.03474	1.0
211.04318	0.5
216.00946	1.1
225.05806	0.7
230.02544	0.7
239.07486	0.6
247.20581	0.3
311.16849	100.0
312.17181	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93448	1.4
59.01381	100.0
62.34705	1.6
70.00011	7.0
71.01374	6.9
73.02944	3.5
79.14983	1.3
85.02972	5.7
90.62041	1.2
101.02470	4.1
107.01395	2.1
113.02478	1.9
126.27458	1.5
159.03020	1.4
161.04530	3.5
166.02699	7.1
173.40654	1.4
176.01181	3.3
177.02005	1.9
192.63853	1.3
193.05061	2.2
227.03523	3.9
231.43175	1.3
249.05737	2.4
265.04916	1.8
269.10352	3.0
283.06149	2.0
311.05276	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	311.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33443	0.3
79.95695	1.5
81.07341	0.3
88.42839	0.3
93.67032	0.3
98.95605	1.2
119.05029	1.3
148.24588	0.3
156.24988	0.3
170.00426	1.4
176.13162	0.3
183.01204	50.2
184.01906	4.4
197.02759	2.2
198.03523	0.5
211.04436	0.4
216.01015	1.7
225.05887	0.5
230.02466	0.4
239.07506	0.8
247.20560	0.5
311.16861	100.0
312.17197	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	311.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47462	1.0
69.29562	10.5
69.29887	1.3
72.02725	1.0
93.03477	2.5
95.04989	1.5
98.43754	0.9
104.65073	0.9
109.02946	13.9
121.02939	7.3
131.05202	1.1
133.02963	9.9
135.04558	1.4
145.02951	4.2
146.03651	1.3
149.02454	33.8
152.98512	1.1
158.03697	1.9
159.04500	4.4
161.02446	30.5
162.02777	1.1
173.02371	2.5
174.03180	4.7
179.03391	1.1
183.04483	1.7
183.08112	1.9
189.01936	1.0
193.06563	4.4
195.04424	1.4
196.05252	2.3
197.06035	2.7
209.06058	5.7
210.06729	1.5
211.07579	8.1
220.05257	1.1
221.06052	4.7
222.06818	4.7
222.57851	1.2
224.04727	3.3
237.05614	5.7
238.06377	5.0
239.07147	9.5
248.04701	2.0
249.05656	5.6
250.06291	13.5
251.06497	1.3
254.05905	2.1
255.06555	3.9
265.05099	5.1
266.05807	8.1
267.06607	100.0
268.06927	10.3
283.06149	9.6
311.05603	23.8
312.06009	2.4
333.95157	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	311.0562
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
69.86782	4.3
70.17432	0.8
83.01385	1.5
96.56953	0.8
98.20529	0.9
109.02964	4.9
133.02945	1.4
143.05046	1.1
145.02946	2.3
155.05081	1.7
159.38872	0.8
171.04466	2.4
173.02406	2.0
173.19270	0.7
174.03188	4.5
181.06540	1.3
183.04486	4.4
185.06030	0.8
195.04518	1.6
196.05304	5.4
197.06027	2.6
198.03119	1.7
199.03995	8.0
202.02765	1.8
209.06055	7.3
210.03358	1.5
210.06744	1.4
211.03999	17.7
211.07605	2.7
212.04768	5.2
213.05565	0.8
219.04424	1.1
220.05357	2.1
221.06104	4.4
222.06816	1.4
223.03941	2.1
224.04776	6.9
225.05591	5.1
226.02625	1.7
226.06296	1.2
227.03500	71.4
227.07166	2.9
228.04259	34.0
229.04582	2.3
232.05272	2.0
236.04871	1.3
237.05544	11.4
238.06267	6.5
239.03534	8.8
239.07130	5.0
240.04265	32.4
241.04973	7.8
248.04691	4.1
249.05554	12.5
250.06216	1.9
252.04221	1.1
253.05106	3.8
254.05844	6.5
255.06604	7.6
259.96075	0.8
264.04251	1.6
265.05078	8.3
266.05667	4.3
267.03268	1.6
267.06598	20.0
268.03876	1.9
268.06973	1.9
269.04498	1.9
281.04526	1.7
282.05185	2.3
283.06113	14.8
283.09073	1.2
284.06406	1.5
293.01706	0.9
293.04410	4.3
294.05344	1.8
310.04892	1.0
311.05609	100.0
312.05936	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	311.056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
59.13182	0.6
61.21419	0.8
63.13641	0.6
70.27897	2.5
72.16890	0.6
104.20091	0.7
106.98021	0.6
108.02183	1.0
109.02960	33.9
110.03285	1.0
113.90830	0.6
117.03465	1.1
121.02959	1.7
133.02956	6.6
135.98090	0.6
145.02956	10.0
146.03714	2.7
147.04485	0.9
161.02461	1.6
173.02440	14.4
174.03224	31.7
175.03925	2.7
180.05836	0.9
181.06641	1.5
189.01997	1.1
197.05829	0.7
199.07701	0.9
202.02730	3.2
207.04535	0.6
208.05360	1.8
209.06094	7.3
211.07634	0.8
212.04745	1.1
213.05598	0.8
219.04536	1.4
221.06157	0.9
225.05573	1.7
227.03561	1.2
227.07120	4.7
228.04364	0.6
236.04851	0.9
237.05582	17.0
238.06227	5.1
239.03461	0.9
240.04356	1.9
253.05045	3.6
254.05849	13.5
255.06615	17.0
256.06995	1.5
264.04272	1.2
265.05054	5.8
266.05777	1.6
267.06720	0.7
269.04324	0.8
270.04849	1.3
282.05359	4.4
283.06125	54.8
284.06409	5.0
293.04480	3.0
311.05609	100.0
312.05948	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	311.0561
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
55.01888	0.8
57.60992	0.7
57.91182	0.8
69.96790	3.5
72.99297	0.8
74.71066	0.7
83.01402	4.7
85.45541	0.6
109.02943	2.0
118.84768	0.7
121.02985	1.0
124.16538	0.7
143.05020	1.9
155.05083	1.2
167.05014	0.9
171.04568	4.5
172.05209	0.8
173.02357	0.9
174.03244	1.6
175.04048	0.9
181.06578	2.7
182.03790	1.2
182.07207	0.7
183.04501	3.1
183.08243	1.2
189.01923	0.7
193.06592	2.0
195.04550	2.0
196.05295	2.9
197.06096	5.5
198.03200	3.3
199.03989	9.8
199.07663	2.7
200.04439	1.0
202.02716	1.0
203.03427	0.9
209.06047	9.2
210.03198	3.2
210.06679	2.0
211.04005	22.2
211.07594	4.9
212.04733	5.6
213.05505	2.2
220.05254	1.6
221.06105	2.4
223.04021	3.9
224.04739	8.8
225.05545	5.4
226.02710	2.9
226.06389	2.4
227.03500	100.0
227.06769	7.6
228.04222	42.3
229.04617	3.6
232.05270	1.1
235.03963	1.3
237.05560	8.5
238.06378	13.0
239.03517	4.5
239.07103	7.3
240.04265	21.5
241.05009	12.8
242.05344	1.1
248.04770	2.7
249.05608	5.0
250.06143	1.5
252.04329	1.2
253.05029	2.3
254.05789	3.9
255.06631	12.9
256.06918	1.0
264.04276	1.7
265.05054	6.9
266.05783	2.1
267.06622	13.3
269.04559	2.2
270.04898	2.7
282.05331	1.7
283.06107	7.6
293.04541	2.4
294.05151	0.8
311.05615	98.9
312.05945	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	311.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63874	1.0
53.76947	0.7
59.65411	1.0
69.49225	3.2
69.49648	2.8
83.01408	1.8
85.12164	0.8
88.15556	0.9
107.82415	0.8
109.02981	4.0
118.68173	0.8
131.05132	0.8
136.27556	0.9
143.05060	1.0
145.02985	1.4
149.46449	0.8
163.17465	0.8
171.04506	1.5
173.02411	1.6
174.03197	3.2
181.06592	1.2
181.58228	0.8
182.03773	1.0
183.04475	5.5
184.05002	0.8
185.06093	0.9
193.06602	1.6
195.04497	1.3
196.05385	4.4
197.06010	2.3
198.03265	1.5
199.03961	5.1
200.04384	0.8
201.01904	0.8
202.02762	1.0
209.06107	4.4
210.03281	1.2
210.06699	1.9
211.03996	13.4
211.07567	1.9
212.04860	4.9
213.05475	1.0
220.05295	1.4
221.06064	3.1
222.06723	0.8
223.04039	1.7
224.04750	6.7
225.05501	3.7
226.02794	1.8
226.06197	0.9
227.03496	59.2
227.07071	1.8
228.04247	27.6
229.04666	2.5
232.05307	1.6
236.04674	1.1
237.05557	9.1
238.06367	6.6
239.03484	6.3
239.07137	6.3
240.04286	29.1
241.04965	8.0
242.05380	1.1
248.04796	4.5
249.05574	11.3
250.06212	2.6
251.03262	0.9
252.04283	1.2
253.05011	3.0
254.05798	4.8
255.06664	6.3
264.04285	1.0
265.05069	8.5
266.05893	4.7
267.03543	1.2
267.06595	20.4
268.04089	1.0
268.07043	2.3
269.04517	2.0
281.04639	1.5
282.05225	4.2
283.06128	13.2
284.06390	1.4
293.04541	4.6
294.05292	2.5
311.05609	100.0
312.05920	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	311.0562
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
53.01515	0.9
59.01376	1.2
62.62839	1.0
68.36810	1.0
69.60683	3.5
69.61117	3.5
77.03973	1.5
81.94616	1.0
82.10547	1.1
93.03455	3.7
95.05002	1.7
100.48149	1.0
103.72910	0.9
108.02130	1.4
109.02963	23.1
116.12471	1.0
117.03448	1.5
121.02969	9.9
127.00389	1.2
133.02959	14.8
135.04512	3.3
139.04028	1.8
145.02940	6.3
146.03720	2.0
147.04523	1.9
149.02443	47.5
150.03053	3.8
158.03677	2.2
159.04512	6.5
161.02438	32.7
162.02754	2.4
173.02470	5.5
174.03214	10.4
175.03851	1.6
179.03496	2.9
181.06665	1.2
183.04514	2.1
183.08130	1.7
186.28383	1.1
189.01964	1.7
193.06587	5.1
193.92059	1.0
194.07281	1.3
195.04453	1.4
196.05289	3.9
197.06119	3.8
202.02661	2.5
203.03419	1.2
209.06076	8.7
210.06682	3.0
211.04053	3.4
211.07605	8.0
212.04872	1.4
212.07939	1.7
220.05185	1.3
221.06018	5.8
222.06812	5.3
223.07437	1.1
224.04735	4.6
225.05446	1.7
227.03543	4.8
227.07007	1.4
228.04346	2.5
236.04756	1.1
237.05573	12.1
238.06320	7.8
239.07135	12.1
240.04233	2.8
241.05074	2.0
248.04738	2.2
249.05472	7.8
250.06329	17.9
251.06584	1.7
253.05051	2.2
254.05916	5.7
255.06549	6.3
265.05035	8.3
266.05862	10.2
267.06607	100.0
268.06940	9.0
276.26099	1.1
281.04700	1.2
282.05341	3.1
283.06125	17.5
284.06470	2.4
293.04575	2.5
311.05615	59.0
312.05951	8.4
313.07120	2.1
313.20795	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	311.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79620	0.7
59.23318	0.9
77.03973	1.4
77.32755	0.8
93.03472	3.3
95.05007	1.1
109.02949	13.7
117.03461	1.9
117.33942	0.9
121.02973	7.8
123.04515	1.1
129.28133	0.8
133.02966	11.8
133.03894	1.5
135.04494	2.7
139.04053	1.4
143.68584	0.8
145.02917	4.1
146.03751	1.1
147.27820	0.8
149.02446	39.2
150.02831	2.1
158.03708	1.7
159.04562	4.8
161.02444	29.5
162.02780	1.4
173.02400	2.3
174.03194	3.9
181.06583	1.5
183.08131	2.0
183.86578	0.8
193.06587	3.1
196.05247	1.7
197.06108	3.5
209.06100	6.2
210.06790	1.3
211.07625	9.8
211.29086	0.9
212.08101	1.0
220.05368	2.2
221.06041	4.9
222.06818	5.4
223.07373	1.5
224.04825	1.6
229.15919	1.3
237.05502	6.5
238.06273	5.2
239.07121	10.9
248.04704	1.2
249.05551	5.3
249.67184	1.1
250.06305	15.0
251.06665	2.2
254.05783	1.2
255.06612	3.9
265.05045	5.3
266.05780	9.7
267.06622	100.0
268.06912	10.5
283.06146	8.9
299.19162	0.9
311.05627	20.6
312.06006	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	311.0561
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
57.43547	0.5
59.01371	1.3
62.26978	0.6
69.40368	5.2
71.01392	1.6
72.99299	1.2
83.01370	1.1
93.03464	1.4
99.00875	4.9
109.02943	6.4
121.02933	3.2
130.09129	0.5
133.01961	0.9
133.02927	6.0
134.03743	0.8
135.04503	2.1
139.04030	2.0
145.02969	1.4
149.02431	16.0
150.03192	3.7
151.04039	1.5
155.04971	0.7
159.04544	1.4
161.02446	14.1
162.02788	1.2
171.04517	1.1
173.02362	1.4
174.03200	2.3
175.03893	0.7
178.02692	0.8
179.03430	1.0
180.05754	0.6
181.06538	1.0
181.38876	0.5
182.03677	1.0
183.04552	2.8
185.06131	0.7
193.06548	1.6
195.04527	1.3
196.05298	7.1
197.06058	5.1
198.03244	1.2
199.04007	4.6
200.04591	0.6
202.02542	0.7
205.06639	0.8
209.06073	5.5
210.06810	1.4
211.03996	9.8
211.07562	3.5
212.04671	2.6
213.05693	1.1
220.05281	2.0
221.06061	3.5
222.06757	1.6
223.03955	2.1
223.07632	1.4
224.04724	8.6
225.05496	5.1
226.02689	1.6
226.06253	1.2
227.03488	32.8
227.07089	1.0
228.04201	14.8
229.04700	1.4
236.04457	1.0
237.05576	8.8
238.06221	4.4
239.03496	4.5
239.07152	5.7
240.04280	12.9
241.05035	6.9
247.03883	0.7
248.04755	3.4
249.05563	5.9
250.06297	4.2
251.03572	1.3
252.04247	1.4
253.05025	2.1
254.05824	3.1
255.06540	3.4
264.04242	1.1
265.05066	7.6
266.05872	4.2
267.03146	1.8
267.06601	32.3
268.03717	3.2
268.06946	4.6
269.04593	3.4
281.04330	1.4
282.05222	1.4
283.06082	7.0
293.04605	6.0
294.05103	1.7
310.04791	1.8
311.05603	100.0
312.05969	11.2
312.09344	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	310.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72278	1.5
56.15992	1.7
56.23433	1.6
59.01381	74.9
60.01717	5.4
61.54937	1.7
61.98849	3.3
64.71896	1.5
71.01388	22.3
72.01694	1.8
73.02950	3.1
75.00866	2.6
78.95904	3.0
79.85880	1.5
80.12135	1.6
85.02944	5.1
89.02440	21.4
101.02439	12.7
107.03636	2.9
109.02969	12.8
113.02425	6.4
119.03503	7.0
119.05032	3.8
119.50883	1.5
128.07246	1.9
129.01965	2.6
130.08742	60.8
131.03426	2.7
131.09062	3.7
133.02963	2.0
135.04510	1.8
144.36777	1.7
145.02982	5.8
147.03001	2.2
148.05118	3.6
148.06296	70.1
149.06622	2.4
149.28123	1.8
161.04672	3.1
163.04028	9.1
172.97639	4.3
173.02438	6.9
174.03217	12.3
178.96237	2.1
179.05609	2.7
183.04431	2.7
196.05211	3.6
199.03983	4.4
199.07635	1.8
209.06091	6.9
209.90303	1.7
211.04042	11.4
212.04726	4.0
223.04037	2.0
224.04692	5.3
225.05498	4.0
226.06013	3.0
226.98714	3.1
227.03502	35.9
227.07056	3.8
228.04272	15.6
237.05640	12.4
238.06288	4.7
239.03503	4.9
239.06993	2.7
240.04247	19.2
241.05089	5.2
248.04723	3.8
249.05540	7.2
251.11279	4.5
253.05081	4.1
254.05875	10.1
255.06702	10.6
264.04150	3.6
265.04950	5.8
266.05939	2.9
267.03925	2.5
267.06592	14.2
269.04465	2.1
281.04724	1.7
282.05130	6.1
283.06073	31.5
293.04510	4.8
310.04605	8.8
310.12195	21.2
310.94910	5.2
311.05579	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	310.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54435	0.2
55.01883	1.3
55.98435	0.2
57.03445	0.3
58.00585	0.2
59.01384	4.6
59.07323	0.2
67.59562	0.2
69.49387	0.7
69.49809	0.4
71.01382	3.1
72.99314	0.4
73.02950	3.8
75.00883	1.5
83.01384	1.0
83.26823	0.2
85.02946	1.3
87.00909	0.4
89.02454	2.7
92.05061	1.2
93.03455	0.4
95.01395	0.2
101.02445	1.7
107.05089	0.2
108.02190	0.6
109.02957	13.8
113.02475	0.7
116.05054	1.5
117.03468	0.6
118.03011	0.5
119.03531	1.0
119.05030	9.8
120.04558	1.0
121.02959	0.6
129.01936	0.4
131.03712	0.5
132.04549	1.3
133.01804	0.2
133.02948	3.3
133.05286	0.3
134.03714	0.3
134.06129	0.7
135.04541	0.7
143.05070	0.8
144.04530	1.9
145.02950	5.2
146.02504	5.8
146.03694	1.0
146.06146	0.2
147.03151	6.2
147.04494	0.6
148.04085	1.8
149.02391	0.3
149.04553	1.5
155.05040	1.0
157.06596	0.2
158.03757	0.3
158.06123	0.2
159.04573	0.4
160.04042	7.1
161.02440	1.4
161.04448	0.6
162.05594	2.3
163.04013	16.6
165.04041	0.3
165.07079	0.5
167.05006	0.5
169.06610	0.4
171.04541	1.8
172.04005	0.5
172.05324	0.3
173.02437	6.7
174.03218	13.3
174.05392	1.2
175.04016	1.1
179.02263	0.6
180.05811	0.4
181.06544	1.5
182.03777	0.4
182.06898	0.2
183.04512	3.9
183.08209	0.3
185.06097	1.0
186.05563	0.2
187.03992	0.5
189.01874	0.5
190.05106	1.8
191.05101	0.6
192.05411	0.2
193.06543	1.4
195.04492	1.1
195.08247	0.2
196.05290	3.8
197.06082	2.5
198.03215	1.5
198.06441	0.9
199.03993	4.9
199.07722	1.0
200.04767	0.5
201.01939	0.6
202.02724	1.9
202.05098	1.9
203.05258	0.2
204.05792	0.3
205.06592	0.2
207.04488	0.4
208.05263	1.2
209.06071	8.3
210.03256	1.1
210.06633	1.8
211.04001	12.8
211.07333	1.8
212.04776	3.0
213.05617	1.2
214.02869	0.2
214.05008	0.4
215.03539	0.4
219.04520	1.1
220.05278	1.9
221.06097	2.6
222.06905	0.4
223.03995	1.6
223.07661	0.3
224.04756	4.4
225.05534	5.0
226.02751	1.5
226.06107	1.9
227.03502	44.2
227.06764	3.2
228.04277	17.7
232.05264	1.3
235.03874	0.9
236.04533	2.4
237.05563	13.8
238.02672	0.4
238.06271	5.6
239.01613	0.1
239.03497	7.2
239.07144	3.4
240.04271	21.7
241.05090	3.9
242.02208	0.5
247.04060	0.3
248.04742	3.5
249.02965	0.4
249.05565	8.8
250.06342	1.3
251.03415	0.5
252.04283	1.1
253.05005	5.2
254.05757	10.3
255.06628	12.0
259.11942	0.2
263.03592	0.4
263.75394	0.2
264.04187	2.2
265.05035	8.7
266.05737	4.1
267.03088	1.3
267.06604	12.4
268.03793	1.3
269.04602	0.8
276.04489	0.2
280.03543	0.5
281.04514	2.3
282.05151	5.2
283.06116	26.4
286.04825	0.5
292.03360	3.2
293.04556	3.6
294.05280	1.2
309.04007	0.6
310.04489	5.8
310.09381	7.4
311.05603	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	310.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	88.4
59.01376	1.0
59.03304	1.4
59.08988	0.5
69.64382	4.2
71.01377	0.7
72.99307	0.6
76.02270	6.9
77.95877	0.5
95.12811	0.6
109.02938	0.7
116.11714	0.6
118.03329	100.0
119.03691	1.1
133.03003	0.7
135.04497	0.6
147.04523	8.8
149.06087	2.6
151.03976	1.1
162.02298	2.3
175.02155	0.5
224.07410	0.8
227.03394	1.0
235.23056	0.6
266.05505	0.6
266.08612	1.8
267.06522	0.9
269.04388	1.7
283.06067	0.6
310.04575	1.1
311.05630	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03439	4.4
59.01376	9.6
69.03468	3.4
71.01355	2.0
71.05027	15.6
71.11331	2.0
71.11647	1.8
83.05029	2.1
86.00110	1.7
97.06580	6.7
107.05054	2.0
107.08659	8.9
111.08141	1.6
117.80030	1.4
119.08673	2.7
121.10243	11.1
123.08189	2.3
125.09707	7.4
135.08128	1.7
137.09738	20.1
138.10112	1.9
139.11311	1.9
141.12790	1.7
155.10748	2.7
156.85172	1.5
161.02428	1.5
171.10266	48.4
172.10663	2.3
183.10274	20.2
185.11856	14.7
189.60684	1.5
197.11772	3.5
207.13907	1.3
209.11836	1.8
211.13330	1.7
219.13864	1.8
221.15440	5.5
235.16991	2.4
237.05565	3.5
237.14964	2.4
239.16475	5.8
251.16518	38.6
252.16946	2.8
253.04994	2.2
265.05133	2.3
269.04788	2.4
273.18582	4.9
281.04510	4.5
291.03049	2.2
291.19662	89.6
292.19983	8.5
309.04068	8.4
309.17453	3.8
309.20700	100.0
310.04410	1.5
310.21036	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	309.2071
Annotation	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
69.48593	93.0
77.65196	13.3
79.04317	12.8
84.62557	13.0
96.96040	16.1
98.00504	13.7
119.08681	22.5
121.10211	61.4
125.09728	35.0
132.23085	13.3
137.09697	20.3
151.07654	28.4
152.08395	14.6
171.10240	75.2
185.11838	41.2
209.15440	33.0
212.74942	13.2
213.88554	14.1
275.20361	17.5
291.19855	100.0
309.15088	57.8
309.17191	52.0
309.20801	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03444	1.3
59.01385	5.9
59.01625	0.9
69.03448	0.9
71.05018	14.6
71.65777	0.9
78.19676	0.8
81.03471	1.2
83.05033	6.3
95.05031	1.9
96.30456	1.0
97.06568	5.3
99.48406	0.8
107.05044	1.4
111.08183	2.6
113.02462	1.0
121.10223	3.3
125.06084	2.2
125.09728	4.3
135.08066	0.9
137.09726	14.4
139.11354	1.2
161.02440	1.3
171.10260	38.7
172.10664	1.4
174.03291	1.2
181.12389	1.3
183.13876	8.2
184.14214	0.9
185.11784	5.6
195.13841	1.4
197.11798	6.5
207.04559	0.9
207.13885	1.2
209.02640	1.0
209.06044	2.4
209.11865	1.1
211.13408	2.0
219.13858	1.2
223.13367	2.5
224.04784	2.0
225.05569	4.0
233.15500	1.5
235.04019	2.9
235.17078	1.5
237.05560	3.8
237.14949	1.4
238.02747	1.4
245.96844	0.9
247.20624	1.7
251.16533	11.0
252.04230	1.2
253.04990	6.8
254.05800	1.3
262.89328	0.9
263.03497	3.4
263.20322	1.1
264.04266	2.3
265.04993	3.2
265.18146	6.0
266.02228	5.5
266.04620	0.9
267.02734	1.2
269.04602	3.1
273.18726	1.8
280.03812	1.4
281.04541	31.9
282.05243	3.2
291.19650	60.2
292.03442	1.0
292.20044	6.7
309.04105	14.4
309.20703	100.0
310.04779	10.3
310.21039	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.64606	1.3
52.75985	1.5
57.03436	1.5
57.65184	1.1
59.01362	4.9
67.01895	2.7
69.03438	2.9
71.01363	1.2
71.05019	3.6
71.21217	2.9
80.02674	10.0
80.03073	1.7
81.03456	4.4
81.07098	1.2
83.05029	28.3
84.02175	10.9
85.34530	1.1
95.05007	2.4
97.02953	2.5
97.06568	3.6
99.08159	7.9
109.06586	2.9
111.08180	2.1
113.09713	2.2
115.07644	6.2
123.04504	3.2
123.08161	2.0
125.09693	5.6
127.11259	4.9
137.09720	54.9
138.10010	2.7
139.11287	9.5
151.03954	2.8
151.07611	5.0
151.11302	6.1
152.08386	3.5
153.09186	10.3
153.12805	1.6
154.10019	1.6
155.10782	53.2
156.11133	2.5
163.11330	1.8
165.12831	2.2
167.10712	5.0
169.12309	2.0
171.10271	56.7
172.10551	3.2
177.12982	1.4
185.11620	1.4
193.12343	29.3
194.12831	2.0
195.13844	1.4
203.58363	1.2
209.02737	1.7
209.11856	3.5
209.15529	8.6
210.03491	1.3
211.13350	4.8
237.05817	2.2
247.20609	5.9
263.20160	6.5
264.20419	1.3
265.18134	1.5
265.21597	6.9
273.18533	2.6
281.04398	2.3
281.21219	2.5
291.19659	100.0
292.19928	9.7
309.04034	2.4
309.14816	20.0
309.20624	75.6
310.15134	1.5
310.17789	2.0
310.20898	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98628	1.1
54.69964	1.1
57.03440	3.8
58.00593	3.0
59.01370	4.7
65.84726	1.1
69.03455	6.2
69.46278	10.0
71.05038	2.3
83.05022	2.3
97.06590	1.8
108.05823	1.9
109.49010	1.4
111.08145	9.9
111.44147	1.2
119.08672	17.1
121.10262	1.6
123.60670	1.2
125.09711	7.5
127.07675	1.5
127.11285	2.3
135.08171	2.8
137.09727	32.3
139.11279	1.6
151.04018	3.0
151.07629	4.8
151.11308	2.4
152.08392	4.2
155.10753	4.7
157.12337	1.3
162.10455	1.3
167.10748	3.7
169.12355	2.5
171.10269	100.0
172.10619	5.9
181.12396	1.3
183.10258	5.7
183.13905	1.7
185.11826	24.5
186.12173	1.5
195.10231	2.0
195.13902	1.4
197.11833	32.7
198.12187	2.1
199.13342	1.6
201.11328	6.7
209.15475	5.7
211.13423	5.6
213.11302	9.1
219.17641	1.1
225.15114	2.7
229.19566	2.9
237.14848	1.2
247.20578	1.7
263.20056	2.2
265.17963	1.6
273.18625	10.1
274.18893	1.4
291.19672	45.3
291.22955	2.4
292.19955	4.9
309.17062	11.6
309.20679	48.8
310.17676	2.0
310.20917	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.5
59.01353	3.5
69.03461	6.4
69.41552	14.5
71.05039	2.2
107.08668	2.0
119.08667	28.1
120.52254	1.9
121.10209	2.4
125.09753	8.8
127.11295	5.9
137.09729	35.4
151.07587	1.8
155.10719	3.9
167.10716	5.3
171.10266	100.0
172.10625	7.1
183.10237	7.7
185.11830	28.3
186.12198	2.0
195.10275	2.3
197.11856	2.0
201.11266	8.8
213.11301	12.0
229.19583	3.8
230.54805	1.9
240.09486	1.6
273.18509	10.5
291.19669	33.0
292.20035	2.4
309.17242	4.8
309.20691	67.8
310.20984	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03428	2.1
57.41141	1.2
59.01381	21.7
67.01887	1.4
69.60051	3.4
69.60474	3.8
70.30145	1.3
83.05045	1.1
88.52229	1.1
93.07092	1.2
95.94989	1.0
97.02936	1.0
97.06588	2.5
111.08156	1.8
121.10226	9.1
123.08166	1.6
125.09735	8.6
137.09695	2.7
147.08224	1.5
165.12733	1.0
167.14378	1.6
171.10303	6.3
185.11845	10.8
196.04851	1.1
197.11836	3.4
209.15297	1.3
211.13394	62.6
212.13666	4.3
223.13452	1.3
269.05023	1.2
273.18405	2.2
291.19656	100.0
292.19962	9.5
309.04166	1.7
309.17294	1.6
309.20676	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.02700	1.1
57.03430	2.5
58.20871	1.1
58.22201	1.2
59.01383	7.3
65.82654	1.1
69.78979	1.1
71.01380	2.2
71.05020	18.7
71.64256	2.0
72.99316	1.2
93.07091	1.3
96.71023	1.1
97.06592	7.3
107.05021	3.4
109.06544	1.5
119.08643	2.6
121.10224	11.9
122.13810	1.2
123.08181	1.9
125.09706	11.1
133.02946	1.8
135.08162	1.5
137.09715	21.6
161.02441	5.8
171.10271	53.1
172.10724	1.7
185.11807	17.2
195.13997	1.4
197.11841	3.0
209.06001	1.7
209.11914	2.3
219.04277	1.4
219.13829	3.1
225.05533	1.7
235.17032	1.7
237.05562	3.3
237.14934	4.9
247.20645	2.4
251.16498	48.6
252.16875	2.4
253.05037	3.6
265.05093	3.0
269.04538	3.6
273.18582	3.1
281.04535	5.3
291.02972	2.5
291.19653	100.0
292.19968	11.7
309.04102	12.5
309.07529	2.3
309.20697	85.3
310.04807	3.2
310.21060	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27159	1.5
57.03463	2.0
59.01398	1.6
61.53722	1.1
63.86539	1.1
69.03446	5.7
69.82034	7.6
70.97627	1.3
77.99979	1.4
83.05041	3.4
85.02972	3.7
95.01378	2.3
97.02316	2.7
97.02951	55.3
97.06565	1.4
98.03304	1.6
98.20606	1.9
99.00885	6.9
100.02361	1.3
100.98756	1.3
108.84298	1.3
111.08174	2.7
113.09757	1.9
119.08658	8.6
125.09730	3.6
127.11326	1.6
137.09737	26.2
138.03545	1.2
138.09995	1.4
149.09650	1.8
151.04015	22.6
151.06523	2.5
151.07654	35.1
152.08429	37.6
153.09106	2.5
167.10718	2.2
171.10271	49.9
172.10568	2.4
177.12743	2.3
184.07378	5.7
185.11826	6.9
190.10002	2.9
193.08681	3.9
193.12379	1.5
195.10263	2.9
195.13925	3.2
200.80638	1.6
208.11044	4.2
209.15456	58.7
210.15773	3.9
211.13411	4.4
213.11252	2.3
221.11838	4.8
221.14336	1.3
239.12888	4.9
247.16917	4.8
252.10124	7.7
265.18033	14.1
273.18668	7.4
291.16086	4.8
291.19583	35.0
292.20096	4.2
309.17056	100.0
309.20712	98.7
310.17371	10.5
310.21057	10.7
313.77811	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.10978	1.5
57.03432	4.6
59.01385	11.7
67.98773	1.6
71.05019	29.1
72.05351	2.2
73.04770	1.8
81.42815	1.6
95.05057	1.7
97.06579	10.0
106.64135	1.4
111.08150	2.3
121.10229	8.5
123.08161	2.9
125.09767	9.4
132.91354	1.4
137.09731	37.8
138.10075	1.7
141.12877	2.1
143.26546	1.3
148.12640	1.6
148.97572	1.5
160.91495	1.4
169.64067	1.4
171.10275	81.0
172.10634	3.2
181.12396	2.5
183.64766	1.9
185.11835	16.1
197.11761	2.6
207.13850	2.3
219.13922	5.0
228.59274	1.5
233.15504	4.1
235.17003	5.9
237.14934	4.7
239.16449	2.4
247.20711	2.6
251.16544	33.4
252.16917	2.8
269.04535	2.3
273.18680	4.6
291.19678	94.6
292.20010	9.0
309.04160	4.5
309.20724	100.0
310.21045	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	1.9
50.77753	2.1
57.03438	3.7
57.75238	2.0
59.01379	29.3
65.33177	2.1
69.03463	10.0
69.66438	13.9
80.14587	2.1
83.05009	4.5
85.02935	6.5
97.02952	67.2
99.08132	8.0
116.92849	1.9
117.73428	2.3
119.08656	9.8
121.10260	3.4
124.97851	2.3
125.09736	9.5
127.11261	3.2
134.65874	2.0
137.09721	38.2
139.11345	2.0
147.24815	2.1
153.09184	2.5
155.10733	4.6
171.10268	98.0
172.10652	4.2
183.10263	3.0
185.11800	23.6
195.13943	2.4
201.11292	8.3
209.11830	13.5
211.13403	5.0
213.11382	4.4
239.12843	6.0
273.18674	9.9
291.19662	40.8
292.19919	5.0
309.20706	100.0
310.21094	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83161	1.6
57.03449	8.6
59.01369	4.2
69.03473	4.6
69.34985	17.1
71.05030	4.2
81.03448	1.9
83.05013	4.6
85.06590	5.9
87.04495	2.1
97.02953	16.7
97.06602	4.1
98.19738	2.0
109.06602	4.4
111.04516	2.6
112.02632	1.7
125.09717	3.5
137.09721	3.8
163.11232	2.8
165.12843	5.4
166.04457	1.6
171.10298	11.1
179.10880	1.7
179.14436	7.0
181.12393	1.9
183.13927	3.4
183.93613	1.8
184.71223	1.7
193.12309	4.1
195.13921	17.7
196.14211	2.4
209.11830	3.7
211.13339	2.8
215.33174	2.0
221.15445	17.3
223.13406	9.8
227.12852	2.4
233.15424	2.4
239.16554	5.6
247.20746	8.3
273.18582	4.1
291.19672	99.0
292.19989	12.9
309.20712	100.0
310.20996	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01876	1.7
56.21440	0.7
57.03444	1.7
58.00594	2.6
59.01382	74.1
61.79990	0.7
66.47684	0.8
70.96687	1.5
71.01386	45.0
72.01724	1.0
72.99300	3.2
73.02943	2.7
75.00887	1.9
83.01396	2.3
85.02956	9.1
87.00880	2.1
88.04038	1.3
89.02448	39.0
90.02760	1.0
95.01384	3.0
99.00887	2.2
101.02451	25.2
111.04511	1.0
113.02458	15.9
119.03513	20.0
127.00420	0.8
129.01872	0.7
129.05595	7.4
130.05099	1.1
130.08737	1.2
131.03580	0.9
143.03467	2.5
147.06644	4.5
148.06332	1.7
148.96777	0.8
149.04594	1.5
149.33348	0.8
161.04549	3.4
179.05632	3.4
182.88799	0.7
309.11911	100.0
310.12296	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	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44572	2.3
57.03467	2.8
59.01375	21.8
60.16846	2.0
63.05283	2.5
66.91930	2.4
68.99816	32.9
71.01395	11.0
71.62154	2.2
72.99308	12.3
73.02943	15.2
75.00871	5.1
80.96538	3.4
83.01360	2.1
85.02965	6.1
87.00865	3.6
91.19925	2.1
92.83216	2.2
93.03480	2.6
99.00907	4.4
101.02448	50.9
103.00375	4.7
112.98819	2.9
113.02446	8.1
117.03491	6.1
119.05024	78.8
120.05374	4.7
145.01433	55.0
145.02644	4.0
145.05066	9.7
149.02466	2.3
149.06107	2.6
151.00322	3.0
160.01506	3.0
161.02472	3.6
163.02507	11.2
163.04012	100.0
163.06099	34.2
177.05566	10.4
177.12549	2.3
181.06496	3.3
195.04601	2.9
196.05223	3.4
197.06027	6.2
206.35576	2.1
209.06073	6.9
224.04797	7.6
225.05496	11.6
227.03514	2.5
235.04033	13.8
236.04662	3.1
237.05511	14.3
251.03535	2.3
252.04198	4.6
253.05060	23.7
263.03513	4.3
264.04330	3.0
265.05029	7.8
269.04541	62.0
281.04510	27.0
282.04938	2.7
291.02957	26.0
292.03625	4.1
309.04044	43.5
309.09970	4.8
309.13586	2.5
309.17105	5.1
310.04419	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	307.2282
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01377	0.3
71.64455	0.3
73.19468	0.3
74.42961	0.3
96.96010	0.4
97.88229	0.3
113.09715	0.4
159.88089	0.3
307.22787	100.0
308.23129	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	307.2642
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
65.26837	1.1
70.00893	5.6
91.73006	1.3
128.16571	1.4
133.63992	1.5
175.22697	1.1
179.03386	1.1
202.79091	1.2
307.26401	100.0
308.26688	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	309.0405
Annotation	Sterigmatin
Peak:m/z	Relative Intensity
59.01323	1.4
70.05137	5.7
70.05541	2.4
74.70686	1.5
98.19832	1.7
113.02477	1.9
133.02959	1.8
139.76671	1.4
145.02934	3.1
153.07153	1.5
161.02509	1.7
163.05501	1.4
165.07091	1.9
167.05020	2.7
169.06610	7.2
173.02272	1.7
175.21780	1.3
180.05818	5.9
181.06628	7.2
182.03751	3.0
183.04536	4.3
186.56160	1.5
191.05011	3.0
193.06671	2.3
195.04623	4.2
196.05244	8.5
197.06114	23.0
198.03261	1.7
198.06419	3.0
200.01221	1.6
207.04459	7.7
208.05276	10.3
209.06099	27.0
210.03163	2.3
210.06491	2.2
211.03914	6.7
213.05472	2.5
219.04466	3.5
220.05148	2.9
221.05905	1.5
223.03947	3.3
224.04800	35.1
225.05548	36.0
226.02805	1.8
226.05827	3.3
231.21863	1.5
235.04012	47.2
236.04642	11.4
237.05571	37.9
238.05847	2.7
239.03510	2.8
247.03996	4.4
248.04764	3.9
251.03506	7.6
252.04239	19.7
253.05060	83.8
254.05443	8.7
263.03455	16.5
264.04315	10.0
265.05063	30.6
266.02353	1.6
269.04568	7.5
279.03036	5.1
280.03729	12.2
281.04559	78.8
282.04932	7.1
291.03003	100.0
292.03430	14.5
307.02597	1.5
308.03186	3.1
309.04034	87.4
310.04422	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18003	2.6
57.03442	11.9
59.01385	15.5
59.78555	3.0
68.78128	3.6
69.03443	5.3
69.66467	17.7
71.01369	9.0
80.02678	3.6
81.03465	3.9
83.05045	6.8
87.13535	2.4
89.00751	2.7
93.07091	5.1
95.05023	5.2
97.06038	2.8
97.06576	17.5
106.04210	6.8
107.08659	2.9
109.06580	6.8
111.08131	9.8
121.06598	31.8
123.08181	3.4
125.09743	27.8
127.11281	4.0
135.08153	15.8
137.09685	9.4
138.50758	2.7
149.09711	4.8
151.11258	22.7
153.09203	21.7
155.10780	12.1
163.11235	5.5
164.45082	2.8
165.12862	22.9
167.10689	8.7
169.12381	4.4
171.10278	80.6
172.10538	3.8
177.12933	3.5
179.10750	7.8
181.12352	32.2
185.11827	100.0
186.12201	3.1
191.03641	2.7
191.10776	8.2
191.14392	8.7
209.11815	47.3
211.13373	6.8
212.10576	10.8
230.58852	3.0
245.19099	34.2
246.19550	4.0
261.18549	11.3
263.20181	11.7
271.17133	7.8
279.19717	13.8
289.18076	46.7
290.18283	4.6
307.19141	89.5
308.19415	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.8
57.03449	3.5
59.01382	1.5
60.26022	1.2
65.03616	3.0
65.03967	58.8
67.94582	1.2
69.43922	1.4
71.05023	35.0
78.86187	1.2
83.05022	1.5
90.15106	1.1
95.05045	1.6
97.06590	70.8
98.06940	2.5
98.19815	2.4
117.01148	1.1
119.08673	8.9
121.06597	100.0
122.06948	4.4
123.08166	3.4
125.09729	42.5
137.09721	3.4
141.12878	2.0
167.14507	1.5
185.11829	75.6
186.12181	5.7
209.11827	33.3
211.13408	31.1
212.13588	2.8
217.12160	1.4
233.15469	1.5
235.13388	93.6
236.13638	6.2
254.52573	1.4
289.18094	18.3
290.18640	1.3
307.19177	23.1
308.19379	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	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03438	5.2
59.01374	13.3
69.03455	3.2
71.01389	4.2
71.03527	2.1
71.05017	3.8
72.36511	2.2
76.11189	2.5
80.02697	8.1
81.03452	5.0
83.05054	12.8
84.02161	3.8
90.88511	2.3
93.03461	4.7
93.07084	3.9
95.05020	5.6
96.96025	6.6
97.06599	6.5
98.19849	7.5
106.04265	10.1
107.08651	4.2
109.06580	5.1
119.04967	2.3
121.02979	3.4
121.06585	16.5
123.08154	11.9
125.09695	19.0
135.08160	75.6
136.08453	3.1
137.09737	15.5
139.11276	3.5
149.09648	2.6
151.11334	4.1
153.09203	19.5
167.10745	2.6
171.10272	91.8
172.10547	5.1
185.11839	54.2
191.14230	2.4
193.12355	11.5
199.13460	6.1
209.11856	8.4
211.13373	28.0
212.10529	5.1
221.15359	2.3
245.19064	20.0
261.18579	6.9
263.20071	13.0
271.17029	3.4
279.19635	7.7
289.18109	67.8
290.18555	5.6
307.16171	3.8
307.19168	100.0
308.19543	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.8
57.03443	5.8
59.01383	9.6
60.22552	1.3
62.19014	1.1
67.01892	2.6
67.05522	1.6
69.03433	3.0
69.39630	11.6
71.05009	1.3
75.21556	1.5
80.02662	1.9
80.26061	1.6
81.03479	6.3
83.01393	6.7
83.05008	3.7
93.03508	1.5
95.05044	3.5
97.02944	5.7
97.06609	9.9
98.20564	2.7
106.04227	2.3
109.06569	2.4
121.06568	2.6
123.04514	11.8
123.08164	2.9
125.06069	1.7
125.09717	19.1
135.08136	3.0
137.06062	1.8
137.09750	12.7
141.12830	2.2
142.02737	1.8
149.06041	4.0
151.11285	2.5
154.86684	1.4
161.09764	1.3
163.07655	2.8
163.11276	16.1
164.08420	1.3
165.09195	2.3
165.12802	4.1
171.10263	3.6
177.12865	2.8
179.10741	2.3
181.12318	4.0
185.11824	24.8
189.12845	2.1
191.10753	2.7
191.14433	21.4
192.14709	2.2
203.14301	1.2
207.10275	9.9
209.11827	36.4
210.12199	3.1
217.15994	2.3
225.11293	8.9
226.11908	1.7
227.18134	1.6
245.19075	41.2
246.19434	4.6
246.66797	1.3
263.20319	2.2
266.87595	1.2
271.17029	4.6
289.18091	100.0
290.18402	10.7
307.19113	54.9
308.19443	6.8
319.19742	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
63.72807	0.5
69.03466	0.6
69.45515	4.2
71.05014	4.3
73.46494	0.5
80.02666	1.2
81.03459	1.4
81.12917	0.5
83.05024	1.1
88.19934	0.4
93.03480	0.8
95.05031	1.4
96.20580	0.6
96.96011	1.1
98.03741	1.5
106.04225	1.0
109.06602	13.3
110.06906	0.9
111.04527	6.9
111.08156	1.9
112.05341	0.5
121.06598	0.8
123.08154	1.4
127.07634	3.0
137.06096	0.7
137.09669	1.3
139.71677	0.5
143.10765	1.3
145.06593	2.0
149.06009	0.8
149.09711	1.7
151.11359	0.6
167.10794	2.6
179.10831	1.2
181.12428	0.6
183.15628	0.5
191.14507	0.9
195.13953	4.4
207.17458	0.8
235.13373	1.7
245.19061	4.8
249.14960	0.6
251.16512	1.2
271.16980	1.7
273.14828	0.5
287.16492	1.8
289.18094	100.0
290.18423	9.2
307.16147	0.4
307.19144	11.8
308.19543	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	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.06852	0.9
52.36691	0.7
55.01866	4.4
57.03440	3.9
59.01380	1.4
65.03963	62.0
66.04272	1.4
69.44159	6.8
71.05019	34.6
72.05347	0.9
81.03441	1.2
83.05022	2.2
93.03475	0.8
95.05008	1.7
97.06588	66.1
98.06944	1.5
98.19812	1.5
119.08662	13.8
120.08964	0.9
121.06591	100.0
122.06916	4.5
123.08131	3.2
125.09719	39.7
126.10049	1.3
133.15404	0.8
135.08160	1.0
137.09726	4.8
139.11249	0.8
141.12822	1.9
145.02925	1.0
163.11243	0.9
171.92381	0.8
173.13324	1.8
185.11823	78.6
186.12196	4.0
209.11824	32.3
210.12094	2.8
211.13391	33.9
212.13693	2.4
217.12366	1.2
233.15373	0.9
235.13377	91.6
236.13792	7.1
249.14912	1.2
289.18057	16.0
290.18527	1.4
307.19113	22.4
308.19333	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	307.1915
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.55616	2.6
57.03442	10.0
59.01384	13.3
63.48478	2.6
66.93803	2.2
69.03467	2.0
69.27415	4.9
69.27818	21.8
71.01363	8.8
71.06546	2.2
81.85490	2.4
83.05033	9.0
90.68530	2.2
95.05049	3.4
97.06580	15.1
109.06623	4.5
111.08147	9.5
121.06572	2.8
125.09732	3.9
127.11335	2.9
135.04462	2.5
137.02414	2.9
137.09705	4.7
138.36247	2.4
149.09717	5.2
151.11275	22.0
153.09209	5.3
153.12798	3.8
155.10773	13.6
163.11235	9.0
165.12837	19.5
167.10724	4.9
169.12323	4.4
177.12949	2.6
179.10760	9.7
181.12357	23.0
182.12654	2.7
189.64139	2.3
191.10722	12.8
191.14384	14.0
197.11787	4.6
209.11823	50.4
210.12125	3.0
211.13351	6.5
236.77452	2.6
239.09277	3.6
245.19078	38.9
246.19569	5.6
263.20181	8.0
264.04257	2.5
271.16956	4.0
279.19699	6.7
289.18094	50.2
290.18475	5.7
307.15558	4.8
307.19138	100.0
308.19510	10.8
309.51804	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	307.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98213	0.5
52.23786	0.6
56.36138	0.6
57.03439	1.8
58.00601	0.9
59.01381	9.1
61.08169	0.6
69.03452	1.3
71.01385	6.7
71.05032	6.3
71.10327	1.2
72.99336	0.7
73.02956	7.6
73.94648	0.6
79.62930	0.6
81.03473	0.8
83.05028	3.4
83.55641	0.5
85.02957	1.6
85.06590	7.9
87.04517	3.6
87.90952	0.5
89.02435	0.8
89.95255	0.5
94.41592	0.6
95.05029	2.4
97.02966	1.5
97.06596	4.3
99.04510	1.1
99.08144	1.9
101.02454	1.0
101.06100	4.2
109.06596	3.9
111.08159	4.5
113.02428	1.3
113.06094	1.5
113.09703	0.9
115.04033	3.4
115.07655	11.3
123.08172	2.3
125.06085	7.7
125.09722	1.5
127.07645	2.5
129.09210	2.8
131.07143	2.4
135.08112	0.9
139.07684	0.7
143.07149	4.1
143.10760	1.2
145.05074	2.4
145.08711	24.7
145.09883	1.2
146.09056	0.9
153.09203	1.9
155.07104	1.5
155.10765	2.2
159.06633	3.1
159.10274	4.9
161.08145	1.2
173.11908	1.0
206.76994	0.6
207.27402	0.6
245.17638	1.4
253.14502	1.0
289.16583	20.3
290.16959	1.5
307.17630	100.0
308.17996	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	307.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
58.00594	0.6
59.01385	7.8
69.03453	1.0
69.55544	2.9
71.01379	6.0
71.05029	5.6
73.02943	6.1
75.47691	0.5
83.05023	3.4
85.02976	0.8
85.06596	6.8
87.00877	0.6
87.04521	3.3
88.24264	0.4
95.05024	2.0
97.02959	1.1
97.06576	3.2
98.20591	0.9
99.04503	1.2
99.08152	1.7
101.02415	0.6
101.06098	3.7
107.05030	1.0
108.64606	0.5
109.06571	2.5
111.08155	4.1
113.06068	1.1
115.04029	1.7
115.07659	9.9
123.08153	2.1
125.06091	6.4
125.09677	1.0
127.07655	2.0
129.09267	1.8
131.07191	0.9
135.08200	0.7
137.09712	0.6
138.36377	0.5
141.05611	0.6
141.09230	0.7
143.07159	3.9
143.10773	1.1
145.05086	2.9
145.08708	19.2
146.09074	0.6
153.09216	2.0
155.07179	0.9
155.10751	1.9
159.06633	3.0
159.10258	5.9
161.13368	0.7
167.21495	0.5
173.06078	0.5
173.11789	0.8
209.15469	1.0
245.17557	2.0
253.14488	0.7
271.15479	0.9
289.16550	16.2
289.27844	0.5
290.16888	1.2
307.17618	100.0
308.17920	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96712	0.5
60.58287	0.4
71.27967	0.5
73.97762	0.4
74.99067	5.7
91.02212	2.8
93.00130	2.8
100.60777	0.4
116.14584	0.3
124.79824	0.4
139.64893	0.4
149.00932	3.0
159.08470	7.7
161.06401	2.0
192.98167	0.6
206.99672	1.5
209.01155	2.8
217.07225	0.7
218.07613	0.4
223.02840	48.8
224.02885	5.2
241.03815	1.0
258.48425	0.4
275.06079	0.7
289.07468	1.7
291.09106	100.0
292.09204	12.1
307.12296	3.2
309.10193	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	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
54.80259	0.7
55.01874	1.2
57.03438	0.8
57.60863	0.7
58.00590	3.2
59.01380	72.5
60.01709	0.9
70.23685	2.6
71.01386	36.5
72.01708	1.0
72.99306	3.3
73.02945	2.8
75.39629	0.8
83.01372	2.3
85.02959	8.0
87.00883	2.5
87.34698	0.8
89.02451	36.7
95.01391	3.0
99.00883	1.1
99.08165	19.2
101.02450	22.9
106.05576	0.7
113.02452	12.1
119.03513	14.2
119.05008	3.5
126.90466	2.1
127.07658	13.5
129.09213	1.8
131.03508	1.8
141.09192	2.5
143.03473	1.8
145.02948	3.4
145.08708	54.6
146.09016	2.3
156.86842	0.7
161.04588	2.9
163.04012	5.0
175.03876	1.9
179.05617	2.7
187.09758	2.2
270.11926	0.9
307.13989	100.0
308.14301	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
59.96741	0.4
62.29769	0.3
64.30311	0.3
70.17300	0.8
71.83967	0.2
71.91926	0.3
74.99078	6.1
75.96226	0.4
83.03745	0.2
83.17767	0.2
84.55904	0.3
85.23930	0.3
85.57990	0.2
85.98456	0.2
91.02222	2.6
91.44985	0.2
93.00140	2.8
94.01085	0.3
141.07481	0.3
149.00954	3.0
156.64137	0.3
159.08475	7.4
160.08780	0.4
161.06384	1.8
163.78119	0.3
177.29758	0.3
192.98135	0.8
206.99715	1.7
209.01268	2.6
210.99423	0.2
217.07260	0.9
223.02832	50.2
224.02884	4.4
225.00739	0.5
241.03917	0.9
275.05991	0.6
289.07608	1.7
291.09100	100.0
292.09238	12.1
307.12262	2.5
307.18970	0.3
309.10187	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	307.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46457	0.9
55.01877	3.9
57.03445	1.8
58.00593	4.7
59.01383	100.0
60.01716	1.4
61.98836	1.2
71.01388	67.5
71.10739	1.0
71.33480	2.5
72.01717	1.5
72.99307	5.8
73.02946	8.9
76.82536	1.2
83.01383	7.0
85.02950	20.4
86.00089	1.2
87.00873	4.2
88.00329	0.9
89.02448	50.1
89.74249	1.1
94.56042	1.0
95.01385	4.7
99.00887	5.1
101.02449	42.8
113.02454	26.8
119.03505	20.9
119.04929	0.9
127.03999	2.9
131.03517	2.3
134.40854	1.0
143.03473	4.5
145.05167	1.1
149.04625	1.6
150.33167	1.0
159.03012	3.3
161.04553	11.7
173.08226	2.3
179.05609	2.3
219.15143	1.0
241.32053	1.1
307.10352	92.2
308.10580	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	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58027	0.2
59.01375	0.3
60.86496	0.2
60.90860	0.2
61.98830	100.0
67.24164	0.2
69.91053	0.7
69.91453	0.4
93.60506	0.2
121.02975	0.3
128.12566	0.2
161.98946	1.1
162.98567	0.7
163.98683	0.4
164.96387	63.1
165.96471	4.4
206.97437	25.9
207.97562	1.8
219.16074	0.3
220.73831	0.2
235.02902	0.2
245.34041	0.2
264.96436	0.3
285.79745	0.2
306.97522	18.6
307.97635	2.9
321.12619	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03447	1.0
59.01374	3.5
61.98842	1.4
69.65435	5.5
71.05023	39.8
76.38865	0.8
76.86345	0.8
80.02692	1.4
81.03467	3.6
83.05029	1.9
87.90092	0.9
93.03455	1.8
95.04472	1.4
95.05035	19.6
96.05962	0.8
106.04241	2.3
107.05066	2.1
109.02978	1.1
109.06597	16.5
111.04533	2.0
119.04990	1.1
121.06592	5.7
121.10162	1.5
122.03718	1.2
123.08202	1.1
127.07635	2.1
135.08125	2.2
139.07681	1.4
143.05035	0.9
147.04507	2.0
147.08127	3.2
148.51698	0.8
149.06027	1.6
149.09724	0.9
150.06856	1.8
151.07611	0.9
153.09149	1.1
161.06082	3.7
161.09743	1.8
164.08495	1.2
165.09201	13.8
166.09560	1.2
168.13976	1.5
173.09779	0.9
175.07706	1.0
175.11282	1.2
179.14417	1.4
183.73044	0.8
187.11362	0.9
189.12836	15.4
190.13223	1.8
203.14551	1.0
205.15948	11.4
231.13911	3.0
233.11804	8.2
243.17519	11.8
244.17921	1.3
245.08521	0.9
245.15485	0.9
247.13251	1.3
249.14980	12.9
250.15276	1.3
261.18668	2.3
263.16565	1.2
269.15466	2.6
276.66977	1.0
278.48294	1.1
283.59659	0.9
287.16531	84.3
288.16891	8.2
305.17590	100.0
306.17856	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
66.60082	0.7
70.61593	1.4
70.61950	0.7
71.01395	0.9
79.21940	0.6
97.18190	0.6
100.58243	0.6
112.93465	0.7
120.51891	0.6
152.29198	0.7
198.43831	0.6
207.98329	0.7
305.24860	100.0
306.25232	11.1
319.76556	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03444	2.3
59.01385	5.2
61.98835	1.2
68.72506	1.1
69.03448	1.4
71.01382	1.4
71.04623	1.3
71.05019	25.7
79.05534	2.2
81.03468	2.3
83.05013	1.6
85.02946	1.4
93.03475	2.0
95.05029	10.7
95.81998	1.2
97.06596	4.8
98.19887	1.9
102.49535	1.2
103.48699	1.0
107.05038	2.1
109.06573	10.7
111.04465	1.4
119.05054	2.3
120.05807	1.3
121.06592	4.5
122.03761	1.6
123.08173	3.9
125.09708	3.4
135.08165	25.6
137.09724	1.2
147.04514	2.2
149.09715	1.3
151.11282	2.3
161.06116	1.6
163.11302	1.3
164.03534	1.2
165.09174	6.0
175.11226	1.1
185.11838	3.3
189.12842	9.7
190.13370	1.2
192.66835	1.2
193.15973	1.6
205.15898	9.8
207.10214	1.1
209.11877	1.9
223.13199	1.3
231.13881	1.8
233.11916	4.8
243.17522	7.9
249.14966	26.3
250.15227	3.2
261.18768	2.2
263.16476	2.4
269.15485	1.5
287.16525	55.9
288.16907	6.2
305.17578	100.0
306.17953	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
51.07822	0.5
51.40533	0.6
51.40795	0.5
55.01880	0.7
57.03450	3.5
59.01379	2.2
59.24018	0.6
65.03967	3.5
69.03455	0.7
70.67743	1.6
71.01389	0.9
71.05020	9.0
73.88902	0.6
79.05539	12.3
80.05874	0.6
83.05033	1.3
93.03465	1.7
93.07104	0.7
94.04257	1.1
95.05036	2.2
97.06590	14.0
103.19926	0.5
106.04257	10.1
107.05048	2.8
109.06600	2.1
117.07079	1.2
117.61398	0.6
119.05009	1.6
120.05814	5.1
121.06621	5.0
123.08160	7.1
125.06117	0.7
125.08778	0.9
125.09727	18.0
126.10107	0.9
133.06587	1.1
135.08167	100.0
136.08510	3.7
137.09729	2.7
151.11296	2.6
161.06143	0.7
161.09677	0.7
162.06831	1.1
163.11337	1.5
168.15778	0.6
171.10237	0.7
177.12859	1.5
183.10263	1.3
185.11855	2.2
189.12764	1.3
203.74629	0.6
205.15964	5.9
207.10257	2.8
209.11845	1.6
211.13319	0.9
221.11784	1.9
231.13890	2.1
233.11836	1.3
233.31934	0.6
235.13495	0.8
243.17561	0.8
247.13452	0.7
249.14948	49.6
250.15280	4.4
251.89565	0.7
263.16495	2.2
269.15442	1.5
287.16565	6.8
305.17606	76.3
305.21027	4.8
306.17987	9.2
306.21417	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	305.1606
Annotation	Creoside II
Peak:m/z	Relative Intensity
55.01884	7.4
57.03445	9.9
57.49488	0.6
58.00591	2.2
58.50717	0.7
59.01379	42.4
61.72926	0.6
68.65230	0.7
69.03453	1.9
70.48888	1.7
70.49248	1.3
71.01383	100.0
71.05016	6.7
72.01740	1.2
72.99312	9.9
73.02949	31.9
75.00866	1.5
79.95750	0.8
81.03440	1.2
83.01389	13.7
84.02155	1.4
85.02951	46.2
86.03281	1.2
87.00884	4.2
87.04548	0.8
87.50586	0.7
89.02449	13.7
95.01402	5.7
96.96017	12.8
97.02953	2.2
99.00885	14.2
99.08167	0.7
101.02443	60.9
101.06069	0.8
102.02762	0.9
105.01986	1.1
109.06574	0.8
111.00859	1.5
113.02451	36.9
114.02886	0.8
119.03524	3.5
119.05070	1.0
120.99640	1.3
123.04501	0.9
125.02446	2.8
128.03543	1.0
129.01961	1.2
135.04514	1.4
136.48308	0.7
136.77510	0.7
143.03500	3.7
143.04672	2.1
143.07195	0.9
143.10783	9.8
144.11142	1.0
149.06252	0.8
159.02979	7.9
161.00941	1.4
161.02493	1.2
161.04556	27.0
163.03912	0.8
167.46339	0.7
173.11787	1.0
180.18069	0.7
183.10393	0.8
205.03522	0.8
225.11328	2.6
245.13849	1.3
287.15155	1.2
305.07074	10.2
305.12671	1.6
305.15994	13.5
306.07452	1.9
306.16220	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	305.1606
Annotation	Creoside II
Peak:m/z	Relative Intensity
51.04179	1.3
55.01883	2.9
57.03445	6.5
59.01381	100.0
60.01683	2.0
65.03967	5.9
69.03461	2.7
71.01385	63.1
71.05031	6.2
72.99316	4.6
73.02949	13.6
81.03461	6.0
83.01404	7.8
83.05035	9.2
85.02952	54.3
85.06597	2.4
87.00890	3.3
87.04521	25.8
88.04039	5.2
89.02450	22.0
95.01403	3.1
95.05045	5.9
97.02958	6.2
97.06593	10.8
99.00861	3.6
99.04541	9.8
101.02456	27.8
101.06081	2.8
105.42589	1.3
109.06590	11.7
111.04585	1.7
111.08168	2.2
113.02452	17.5
113.06075	2.6
115.00407	2.8
115.07677	3.4
119.03516	7.1
123.08174	2.8
125.02450	1.8
125.06123	3.4
127.04028	4.5
127.07644	4.9
127.15945	1.6
129.09221	3.9
130.57190	1.3
131.55548	1.3
132.03058	3.3
132.28804	1.3
137.50340	1.3
141.05588	6.3
141.09224	20.7
142.09528	1.9
143.03473	2.3
143.07191	3.1
144.04549	3.4
145.05069	5.7
145.08710	6.1
146.06197	2.2
159.03017	2.0
159.06630	85.6
160.06953	3.3
161.04597	7.1
161.11833	3.2
172.04005	1.9
182.14053	1.5
183.10255	1.5
183.59888	1.3
189.06697	5.1
203.09413	1.8
207.13879	5.5
224.88701	1.5
225.14934	4.9
243.15996	2.6
245.10318	3.0
258.53418	1.5
261.13379	4.4
263.11499	2.2
269.13916	9.0
287.14975	25.8
288.15430	2.3
305.07776	5.6
305.12375	24.5
305.16089	45.3
306.13049	1.5
306.16284	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	305.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
57.03445	8.9
58.00589	4.0
59.01381	100.0
60.01724	1.5
62.78966	1.1
65.03957	5.5
69.03458	3.0
70.99619	1.2
71.01384	70.6
71.05007	3.9
71.63451	2.5
72.99316	5.4
73.02948	25.0
75.00919	1.5
80.43068	1.2
81.03454	3.2
81.07079	1.6
83.01395	11.7
83.05019	6.0
85.02955	66.7
85.06608	2.0
87.00887	4.1
87.04512	15.7
88.04038	8.0
89.02448	27.8
95.01395	5.0
95.05024	4.0
97.02973	2.7
97.06600	4.7
99.00855	6.5
99.04507	2.8
101.02444	55.1
107.05037	1.5
109.06593	9.0
111.08174	2.2
111.87108	1.2
113.02453	25.4
113.06084	2.1
115.00379	6.1
115.07666	2.8
118.98078	1.3
119.03506	13.0
119.04942	1.2
119.08652	2.8
123.08173	1.5
125.02424	2.3
125.06071	6.3
127.00383	2.7
127.04025	3.7
127.07667	4.0
129.01984	1.3
129.09190	1.7
131.03572	2.1
132.03041	5.3
132.04611	1.4
141.05588	3.4
141.09222	20.6
143.03496	2.8
143.07133	2.7
144.04558	5.2
145.05037	3.7
145.08717	2.3
146.06139	6.4
149.04562	1.9
156.07188	1.3
159.03009	2.4
159.06638	39.0
160.06987	1.8
161.04562	12.3
161.11900	1.4
172.04089	2.9
179.05586	2.4
182.86099	1.5
189.06662	8.2
190.05099	3.0
207.13918	3.0
225.15015	1.7
243.16208	1.6
261.08755	3.8
261.13330	8.6
269.14005	5.3
287.15012	13.1
305.07809	7.7
305.12396	52.5
305.16086	41.4
305.19693	2.4
306.12778	3.4
306.16412	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35720	0.4
58.02976	42.9
58.04625	0.4
70.02976	0.5
70.49368	0.7
70.49747	0.7
92.58294	0.4
94.39851	0.4
117.18570	0.4
168.13933	100.0
169.14282	4.8
195.16608	0.4
212.12912	3.4
243.62962	0.5
304.19211	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	303.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.3
59.01381	100.0
67.29917	0.7
71.01382	17.1
72.99332	1.6
73.02947	11.9
83.01386	2.6
85.02961	5.7
87.00909	0.7
88.01118	0.7
88.43614	0.9
89.02449	6.9
90.27551	0.9
93.35670	0.8
95.01395	1.2
98.50602	0.7
101.02454	10.5
113.02443	8.0
118.61890	0.8
119.03509	1.6
128.25493	0.7
129.82742	0.8
131.03510	0.9
140.70319	0.8
140.90854	0.8
148.32062	0.7
149.04480	0.9
159.20688	0.8
161.04507	1.1
162.18115	0.7
164.58258	0.8
169.54816	0.7
242.60394	0.8
302.91684	1.4
303.22284	1.0
304.11954	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.96045	0.8
71.01386	8.4
71.62231	1.2
73.02959	2.4
77.64890	0.8
78.51398	0.8
83.01402	1.3
85.02958	4.3
87.00899	1.5
96.96006	1.0
99.00909	2.4
101.02424	4.4
101.06100	4.0
108.04555	1.7
113.02438	3.3
122.06134	8.6
124.07689	5.0
127.00403	1.9
135.04541	5.7
136.06700	1.3
136.07700	12.7
137.06036	1.5
138.06422	2.2
161.04553	3.5
168.06670	8.4
175.14304	0.8
176.34653	0.9
177.22685	0.9
180.06711	1.6
229.09874	0.9
231.11406	1.5
250.91638	1.0
259.14020	0.9
261.13394	8.2
303.05008	0.9
303.09940	1.9
303.13522	7.4
303.18030	1.5
303.23242	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	303.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	38.2
71.01395	26.0
71.19807	27.8
71.20152	22.6
72.42754	17.1
73.02950	19.1
75.00855	17.6
85.02925	25.0
87.00880	59.2
89.02478	26.5
92.92792	47.6
94.92519	100.0
103.03970	39.9
142.87610	26.6
148.90935	21.4
152.93617	28.2
153.40582	19.9
157.86317	22.2
210.71928	21.0
237.50786	18.4
265.09189	41.6
303.08615	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	302.1358
Annotation	N-(N-(3-Amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid
Peak:m/z	Relative Intensity
57.03441	2.1
59.01387	3.1
69.93146	7.3
70.02986	2.1
71.01389	42.3
72.00902	3.0
74.06725	1.5
78.95914	1.5
83.01402	1.5
84.04562	2.7
84.06667	1.4
85.02960	5.5
87.00880	18.9
87.43063	1.6
88.04034	1.7
98.02469	1.7
99.05646	27.2
100.04048	17.6
101.02434	1.7
102.05603	1.6
103.03974	1.6
109.02944	3.4
111.05641	5.0
112.04063	4.1
113.02470	1.8
117.06725	18.0
118.05123	5.3
120.10346	1.5
129.06700	6.2
135.71779	1.6
136.29755	1.4
140.07176	3.9
144.98538	1.5
157.01349	1.5
157.09781	5.1
159.54271	1.5
175.02554	2.5
182.09354	26.2
183.07799	1.8
184.10779	2.1
186.12473	18.9
187.10896	3.5
200.10435	14.9
201.08868	10.1
212.10385	15.9
213.08769	5.2
219.53088	1.4
228.97475	1.9
230.11148	1.4
240.13531	12.0
245.81462	1.4
256.12921	2.0
258.14514	6.1
284.12524	100.0
285.10693	4.5
285.13153	3.3
302.13623	18.0
303.11829	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	302.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22903	15.3
59.01372	55.3
61.98823	100.0
69.53146	76.6
69.53556	56.2
73.04064	17.8
81.99387	15.4
86.60546	20.2
97.69011	17.0
119.05007	41.6
127.00375	59.8
128.39386	19.6
138.06329	15.8
180.06598	20.5
189.61632	17.5
195.10338	23.6
226.37408	18.3
239.09253	42.4
251.42101	23.1
258.32513	18.0
284.12482	21.0
302.10901	19.1
303.05130	44.9
303.14539	31.7
303.18008	37.5
306.09448	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	302.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.7
61.98825	11.8
69.03425	2.8
69.55448	2.8
70.10712	5.5
70.11108	6.6
71.01392	24.1
85.02981	3.6
86.81143	2.6
87.00877	3.9
89.02444	4.0
93.03473	10.5
94.03806	6.2
95.01353	3.6
96.73175	3.0
99.05625	8.5
100.04053	5.0
109.02954	4.2
111.05640	3.5
113.02444	2.7
117.06693	12.0
121.02941	12.8
122.03309	8.3
123.00879	24.7
123.04515	3.2
124.01218	20.9
134.04745	7.9
138.03188	9.9
139.00365	6.3
139.04045	100.0
140.01086	3.4
140.04364	99.7
140.07224	3.0
141.01898	9.3
141.04506	6.0
144.87015	5.2
182.09352	10.1
186.12491	11.6
200.10390	6.3
206.75256	2.7
209.60045	3.1
212.10445	6.6
240.13446	7.0
245.19505	2.7
258.14700	4.8
260.73590	2.8
284.12549	47.4
302.09833	4.8
302.13507	11.1
303.07425	3.3
303.23227	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	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.96720	0.2
60.97494	1.1
64.02391	0.2
69.85475	0.6
69.85888	0.5
74.99104	0.7
93.00150	0.2
118.96272	0.7
134.99405	6.1
136.97339	2.6
141.07478	0.2
143.05356	0.7
150.98903	0.3
152.96797	0.2
159.08481	1.6
161.06404	6.5
162.06538	0.2
201.04095	0.6
203.05678	3.4
205.03571	1.2
215.05646	1.0
217.07207	85.8
218.07339	7.2
235.08371	0.5
247.88983	0.2
261.06238	0.7
283.11978	0.6
283.15341	0.2
285.13467	37.9
286.13657	4.7
301.16589	100.0
302.16797	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	301.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.9
59.97318	0.3
63.81335	0.3
67.01896	0.7
71.66147	0.5
79.05508	0.8
83.01392	0.3
95.05040	0.5
107.01390	0.5
107.03769	0.5
108.04536	0.8
120.04543	2.6
121.05363	2.2
122.05298	0.5
122.06132	5.8
134.03737	0.6
134.06085	2.3
135.06914	1.0
136.07686	11.8
141.35005	0.4
146.06094	0.4
148.07684	0.5
151.00365	0.9
160.06371	0.4
161.07201	0.7
162.05649	1.1
171.11734	2.7
172.07611	0.5
184.07747	0.7
186.09222	1.1
188.29607	0.4
189.10326	0.4
198.09247	2.4
199.10019	2.3
213.06737	0.3
214.07368	0.4
214.12387	10.7
215.12599	1.0
225.06717	0.4
226.07477	0.5
227.08217	3.3
228.08841	0.8
229.09789	4.1
230.11864	3.5
231.12161	0.6
239.11893	0.5
241.09830	6.1
242.10599	16.1
243.10910	1.6
257.12949	100.0
258.13242	9.3
283.10843	0.7
286.03900	0.5
301.07117	2.0
301.11920	10.5
301.15231	0.7
301.20859	0.4
302.12372	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	299.2592
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
52.22143	0.6
55.01882	0.8
65.00322	1.7
67.04966	0.6
69.75436	0.8
71.29688	1.8
74.20216	0.6
83.04980	0.6
84.46041	0.7
96.52931	0.6
119.05032	0.6
136.98798	2.1
143.41187	0.6
200.32831	0.6
203.83934	0.6
212.04739	0.8
225.22214	0.7
251.23631	3.1
253.25349	61.9
254.25679	5.9
281.24966	1.2
284.03250	11.9
285.03607	1.3
299.02597	0.9
299.05640	5.3
299.25912	100.0
300.26257	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00337	0.3
57.00715	0.2
57.42322	0.2
59.01382	2.8
68.01416	3.4
68.99758	0.2
69.60922	1.3
71.01395	1.0
71.29622	0.2
72.01736	0.2
72.99314	0.2
73.02946	0.2
80.46126	0.2
89.02448	0.6
90.02756	0.2
94.06613	0.3
96.04578	0.4
98.02471	0.2
101.02448	0.3
109.01694	0.3
110.06148	0.3
113.02486	0.3
118.93085	0.2
119.03442	0.3
120.05347	0.3
122.02491	0.9
122.06129	0.3
123.03265	6.9
124.04055	0.2
124.07708	0.8
127.00370	2.1
136.07716	0.4
137.04880	1.0
138.05614	100.0
139.05957	3.6
140.07217	0.2
151.04036	0.2
152.03511	0.4
152.07184	1.2
166.08705	0.4
167.05872	1.8
168.06636	0.4
180.06657	5.3
181.06985	0.3
207.40541	0.2
210.07721	0.7
240.08800	0.4
300.10876	14.0
301.07550	0.2
301.11014	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	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
67.05529	5.3
69.82732	5.0
70.09711	0.7
71.01386	35.3
109.03007	1.3
111.04526	100.0
112.04836	2.7
115.00385	11.0
117.03574	1.2
124.88705	1.2
130.08717	2.8
133.01453	1.4
137.02420	1.1
168.06693	1.4
183.10265	48.8
184.10622	3.1
225.31564	0.8
251.02660	0.9
256.82605	1.0
284.03293	5.0
299.05637	3.3
299.09293	1.8
299.18906	1.8
300.08627	1.2
305.15552	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	299.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
67.05536	6.2
71.01382	33.6
93.03506	0.6
109.00237	0.6
109.02950	1.6
111.04522	100.0
112.04863	2.3
115.00384	10.4
131.39531	0.6
133.01460	1.2
137.02400	1.4
139.25526	0.6
143.84106	0.6
145.02917	0.9
174.03253	0.7
183.10266	45.4
184.10669	3.1
221.51906	0.6
229.58321	0.7
284.03253	4.8
299.05643	2.5
299.09076	1.2
299.18652	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	299.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76138	1.1
58.73359	1.1
59.01380	10.2
70.16052	5.1
71.01397	3.2
89.02447	2.5
93.03461	67.8
94.03809	2.0
101.02441	1.7
113.02456	1.5
113.95072	1.2
119.05010	1.4
121.02954	23.4
135.03006	5.5
135.04552	1.5
136.01610	1.4
137.02451	100.0
138.02771	4.6
142.49582	1.3
179.03497	3.7
181.05084	10.9
217.00339	1.4
239.05646	2.5
269.19000	1.4
284.03320	5.3
299.04892	1.3
299.07910	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	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55114	0.4
54.68666	0.4
57.44202	0.5
65.03966	6.8
67.01901	2.6
70.75977	0.9
73.82206	0.4
74.49097	0.4
93.03454	0.8
98.19982	0.5
103.24992	0.5
109.02955	100.0
110.03285	2.9
124.88065	0.6
135.00891	4.2
137.02469	0.7
153.01938	50.7
154.02310	2.0
163.82300	0.4
221.60596	0.5
251.09306	0.5
284.03238	1.1
299.07782	21.7
300.08249	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	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
57.03427	0.4
59.01382	0.7
69.51614	2.9
71.01384	2.0
73.02937	0.5
82.46416	0.4
83.73483	0.3
85.02930	0.9
93.03457	64.0
94.03795	2.5
101.02467	1.0
126.37338	0.3
137.02444	100.0
138.02782	4.8
138.05598	1.3
179.97562	0.4
187.17398	0.4
225.61470	0.4
299.07895	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	299.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
60.45575	0.3
64.86519	0.3
69.51364	0.5
69.51768	1.8
69.58833	0.3
70.53511	0.4
71.01381	2.4
73.02944	0.6
80.92130	0.4
83.45872	0.3
85.02947	1.0
93.03458	67.7
94.03775	1.9
95.35826	0.3
101.02443	1.0
113.02405	0.6
137.02444	100.0
138.02774	3.5
138.05602	1.0
161.04463	0.4
192.45256	0.4
220.00014	0.4
266.30832	0.4
299.07877	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	298.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00336	2.2
59.01381	6.5
67.63336	0.6
68.01417	17.7
70.00354	3.5
71.01392	4.5
72.99323	0.8
75.00884	0.7
75.32605	0.6
79.60845	0.5
89.02450	2.8
90.96137	0.6
92.05063	1.5
93.03464	5.6
94.50710	0.6
95.05040	1.2
98.20624	0.9
101.02455	1.8
113.02448	1.4
115.67606	0.5
119.03520	0.9
120.04568	2.4
121.70837	0.7
122.06133	5.1
122.51445	0.6
127.00317	0.8
132.04567	1.0
132.93240	0.6
134.06129	6.9
135.03275	8.7
135.04340	1.0
136.01776	1.8
136.04048	89.7
137.02451	10.0
137.04878	8.9
138.05606	1.1
147.02899	0.8
148.04005	0.7
149.04927	0.9
150.05640	7.4
152.07214	0.8
153.79320	0.6
157.08842	0.6
160.04083	1.2
165.02902	1.0
165.04314	26.6
166.04826	2.0
178.05095	33.3
179.03496	4.8
179.05223	1.2
189.01866	0.9
199.78358	0.6
208.06172	1.4
209.04561	0.7
238.07126	0.8
239.05588	3.2
270.04938	0.8
284.03265	2.2
298.09323	100.0
299.06085	1.3
299.09595	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	299.0562
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.86187	0.4
57.39476	0.4
58.80838	0.4
59.01341	1.0
63.02366	1.2
65.00283	1.4
65.93151	0.3
71.65953	0.4
71.87840	0.3
83.01357	0.8
105.99798	0.3
107.01340	1.5
109.02840	0.4
114.89433	0.4
119.05035	8.0
132.02135	1.0
133.02930	0.7
134.03685	1.1
136.98756	1.0
137.02345	0.6
147.28993	0.3
148.01544	0.4
149.02432	0.4
149.99594	0.5
151.00366	2.6
158.03610	0.5
183.04459	0.5
184.05188	0.4
187.04056	0.5
188.04723	0.4
199.03929	0.5
200.04778	1.0
211.04004	0.6
212.04779	0.5
227.03526	3.7
228.04245	0.6
239.03639	0.5
255.02960	1.9
256.03766	27.3
257.04105	1.7
283.02435	1.2
284.03253	100.0
285.03610	7.8
299.05603	68.9
299.18564	0.7
299.25482	0.4
300.05951	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	297.1192
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
51.77824	0.9
53.11311	0.8
55.01879	1.8
57.03447	1.1
58.00598	2.3
59.01382	100.0
60.01702	1.3
66.14122	0.8
70.29280	2.3
71.00987	2.0
71.01384	39.5
72.99332	1.6
73.02953	5.2
83.01411	2.1
85.02956	10.7
87.00883	1.7
89.02447	40.9
95.01390	2.5
99.00900	2.3
101.01781	1.3
101.02447	25.2
113.02450	16.3
117.05606	0.8
117.17461	1.0
119.03492	16.3
128.24275	0.8
128.61743	1.0
130.08734	1.0
131.03520	1.4
135.02956	0.9
135.06638	13.1
143.03520	3.2
149.04602	1.6
159.02991	1.3
161.02446	1.1
161.04593	10.9
179.05605	11.5
237.09760	9.0
297.11917	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	297.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.74873	0.6
79.95769	2.1
81.41268	0.5
119.05004	1.4
170.00331	1.1
183.01210	51.5
184.01805	3.9
197.02802	2.2
216.00887	3.7
297.15292	100.0
297.24310	1.6
298.15601	9.1
318.19540	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	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.61366	0.3
59.01378	1.8
71.01379	0.6
79.95730	0.3
109.10311	0.4
118.48354	0.3
132.41974	0.4
143.63190	0.3
145.56906	0.5
160.78146	0.3
177.98172	0.3
183.01219	10.1
184.01843	1.5
197.02789	0.4
216.01007	1.2
235.20265	0.3
251.23793	1.5
258.16449	0.3
277.46765	0.4
279.23267	1.5
295.22821	0.9
297.15329	22.0
297.24341	100.0
298.15652	2.4
298.24683	10.2
303.31409	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	297.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83975	1.5
59.01374	3.4
68.14617	1.3
68.18690	1.3
69.63216	1.2
71.01387	40.2
79.56219	1.2
80.96525	1.2
82.15746	1.3
84.60937	1.2
85.02952	2.0
86.00088	1.7
87.00867	2.0
93.07089	18.9
108.02154	1.3
109.02953	2.1
115.00378	14.4
119.05019	1.6
119.08669	60.3
120.08981	3.5
129.00743	1.2
133.01469	1.6
135.04488	6.9
137.09758	1.7
145.02890	1.6
148.05379	1.5
163.07652	7.6
181.08708	100.0
182.09001	5.5
226.02263	1.2
243.55989	1.3
253.05110	1.7
282.05392	1.7
297.04022	2.6
297.07407	2.5
297.13034	4.3
297.16861	2.4
297.24423	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	297.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	5.5
69.46663	12.8
70.68277	1.4
71.01383	37.0
72.01723	1.4
74.72503	1.7
78.85023	1.6
85.02974	2.0
86.00089	2.0
93.07095	19.9
96.96005	2.8
115.00362	14.0
119.08672	73.0
132.04559	3.2
133.01382	1.7
133.02928	2.0
135.04523	7.8
137.02477	1.7
137.09801	1.9
143.42160	1.6
145.02922	3.4
149.43547	1.7
152.07224	2.1
163.07642	9.9
167.19760	1.8
181.08702	100.0
182.08961	5.1
222.96648	1.7
253.05025	2.4
253.14732	2.2
254.08145	3.4
282.05225	3.4
297.03940	6.2
297.07251	3.7
297.13086	6.5
297.24384	8.3
298.07263	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	297.111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05401	23.7
59.01370	45.6
63.99102	25.9
65.15267	22.5
66.91652	23.4
71.01384	39.6
72.90568	24.7
81.06494	25.4
83.05000	37.4
86.00060	36.7
91.50061	25.3
98.20567	53.5
109.02915	37.7
133.02951	40.8
135.04558	75.2
142.86743	34.9
145.03017	31.0
147.00883	54.6
147.04611	24.7
179.64612	25.8
184.41771	25.2
211.04012	30.5
253.05264	29.3
297.04025	100.0
297.07269	28.6
297.13358	50.6
297.17038	30.1
297.24463	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53135	0.3
56.86218	0.2
57.04206	0.3
58.57980	0.2
59.01378	0.8
64.91190	0.2
65.99259	0.2
70.39352	0.2
71.01393	0.3
74.70117	0.3
97.88396	0.2
101.37393	0.2
105.03459	0.4
108.02168	0.3
117.03470	27.1
118.03820	1.0
119.05019	0.5
121.02961	0.3
122.03766	0.3
123.04521	3.8
135.04581	0.4
145.02963	100.0
146.03310	5.1
149.02412	0.6
150.03217	2.5
151.04018	5.3
167.10765	0.3
177.01883	0.5
211.09697	0.3
239.03494	0.5
253.08762	0.9
266.32983	0.2
267.02972	0.7
269.08118	0.3
282.05377	1.3
297.07684	2.0
297.24374	1.2
298.07874	0.4
309.98590	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	296.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30206	0.6
58.28677	0.6
59.01383	16.7
69.03455	2.8
71.01369	1.6
71.21552	1.7
72.04533	1.1
72.99305	0.9
74.02474	100.0
75.00868	3.6
75.02831	0.8
81.03448	8.6
81.56473	0.7
83.05027	11.7
85.02937	0.7
89.02441	1.0
93.03458	1.8
93.20787	0.7
95.05030	17.9
98.02473	2.2
98.06139	2.3
100.00404	2.4
104.09898	0.7
107.05029	1.7
108.02151	1.1
109.02953	2.3
109.06595	8.8
110.06091	0.7
119.05076	0.8
120.05403	1.0
121.03015	0.8
121.06610	0.9
123.04540	3.7
124.04080	1.0
127.03957	1.2
132.68834	0.8
133.03040	0.8
135.03015	5.9
135.04518	2.5
135.08168	9.7
137.02454	2.8
142.05083	2.1
149.04572	1.6
149.06030	0.8
150.04910	0.8
153.01936	1.1
159.08142	2.9
160.01683	0.9
161.02496	1.5
161.06055	1.5
164.04326	1.8
167.01761	1.2
174.56464	0.7
175.07634	3.0
177.09218	52.0
178.09544	2.8
181.01466	2.9
183.04581	0.9
190.12355	1.3
192.10341	1.6
195.04549	1.0
196.05284	1.0
197.06116	1.1
203.07137	0.9
212.04669	1.0
218.08295	1.0
221.08167	15.0
224.04732	0.8
234.11310	2.7
236.09288	11.1
239.03426	1.3
240.04211	2.8
252.12277	1.1
253.05103	1.7
268.03772	5.6
268.06412	1.1
269.04498	2.2
278.10330	3.2
279.02884	1.0
296.03125	2.0
296.06149	3.0
296.11398	85.5
297.03934	5.9
297.11588	6.1
297.24246	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	296.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01382	2.1
69.03448	0.9
71.01387	0.8
71.62157	0.6
72.04547	7.8
74.02474	100.0
75.02793	0.6
81.03456	1.3
83.05019	1.1
85.02947	0.5
87.00870	0.7
95.05026	2.4
96.71531	0.4
98.02479	1.4
100.00407	1.2
101.02435	1.2
102.02776	0.6
107.03673	0.4
107.05011	0.5
109.02957	0.8
109.06583	1.5
110.02497	0.6
115.16249	0.3
116.03532	8.9
119.05029	6.3
120.05373	7.6
123.04527	0.9
131.03479	2.6
132.03819	1.6
134.03741	0.5
134.04727	5.6
135.02997	1.4
135.04482	5.0
135.08173	1.9
149.04601	0.6
163.04019	6.8
164.04349	10.6
165.04498	0.5
171.81036	0.4
177.09232	3.8
179.07082	0.7
190.12337	1.1
191.37427	0.4
195.10460	0.6
221.08205	1.4
225.05493	0.5
234.11313	2.6
236.09293	0.8
252.12419	15.3
253.05054	0.5
253.12746	0.9
268.03687	0.4
278.10309	5.5
296.11377	29.1
297.03979	1.4
297.11838	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.08332	0.3
55.61091	0.3
55.64794	0.3
59.01387	2.0
71.11749	0.5
86.54677	0.3
94.25877	0.3
120.82783	0.3
122.54263	0.3
125.48119	0.3
128.85510	0.3
215.44962	0.3
265.21628	1.9
277.21695	3.8
278.22394	0.4
293.21112	0.5
295.22763	100.0
296.23111	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.23383	0.5
56.05722	0.4
57.03442	2.6
59.01376	2.8
59.47697	0.4
70.40794	1.9
71.01382	0.5
78.11178	0.4
81.39215	0.6
98.19882	0.7
99.08158	0.6
108.58241	0.5
125.09667	0.6
127.07642	0.6
127.11265	0.6
137.09708	0.9
139.07610	1.0
139.11273	0.7
155.14403	4.7
171.10272	15.0
172.10571	0.8
181.15855	0.7
183.10294	1.1
195.13861	1.6
239.04556	0.5
251.23740	3.3
277.21719	20.6
278.22003	1.9
295.22775	100.0
296.23099	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.39551	0.6
52.67783	0.6
54.47280	0.6
59.01355	2.6
60.28456	0.6
61.55526	0.6
61.98826	0.8
67.37732	0.5
68.48212	0.6
68.94927	0.5
70.66038	0.6
72.99303	0.8
85.02919	0.7
96.96013	2.6
98.95003	0.7
98.95588	7.6
98.96420	1.6
115.18127	0.6
127.11299	1.6
133.16968	0.6
134.89444	1.1
141.12871	9.6
155.14438	3.3
161.27650	0.6
249.22217	9.2
277.21664	1.8
295.17990	5.7
295.22766	100.0
296.09418	0.9
296.23093	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16816	0.6
57.03444	1.4
59.01371	1.1
66.69907	0.5
69.47813	4.5
97.06631	0.6
97.78824	0.6
120.43436	0.6
125.09737	1.4
125.53964	0.6
132.51057	0.6
141.12831	1.4
146.75060	0.6
157.72050	0.7
171.10271	37.9
172.10663	1.4
183.10252	3.1
233.22635	0.9
277.21719	47.2
278.22049	4.7
295.22778	100.0
295.94919	0.6
296.23099	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	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	0.7
66.86286	0.7
71.01397	1.5
71.11616	1.6
74.02468	0.9
97.49973	0.6
101.02471	2.0
113.83903	0.7
119.04989	0.9
125.98146	0.6
127.00394	1.6
163.04092	1.8
222.87825	0.6
235.11845	4.0
311.92316	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
59.01374	2.6
63.37173	0.3
64.35447	0.3
71.01383	0.4
79.74397	0.3
83.05049	0.5
96.12174	0.4
97.06602	0.4
99.08156	0.4
110.81925	0.4
113.09753	2.5
120.29797	0.4
125.34374	0.3
143.04842	0.3
171.10239	1.3
177.12863	0.7
179.14391	0.8
195.13905	18.4
196.14255	1.1
277.18338	1.2
277.21713	20.6
278.22018	2.4
295.22775	100.0
296.19778	0.5
296.23096	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	295.1088
Annotation	Chandrananimycin C
Peak:m/z	Relative Intensity
57.15520	0.3
59.01372	1.1
61.55357	0.4
71.64925	0.7
79.97221	0.3
95.01389	0.6
99.20830	0.4
104.52621	0.4
109.02974	0.5
116.05062	100.0
117.05405	4.8
118.02982	7.1
122.02489	0.6
123.00886	1.5
137.02473	0.7
138.01968	28.3
139.02324	0.8
146.02486	16.8
146.03661	0.8
146.33534	0.4
147.02829	0.8
149.09654	0.6
150.01964	33.1
151.02328	1.9
162.71088	0.4
178.05107	3.2
209.06096	0.4
217.99039	0.4
221.06093	0.4
237.05524	0.9
249.05441	0.6
264.07852	0.6
265.04956	0.6
267.06500	0.4
277.05017	0.6
280.08548	6.5
281.08755	0.3
295.03070	0.4
295.06000	2.4
295.10880	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	295.1186
Annotation	Amotin
Peak:m/z	Relative Intensity
57.03432	8.0
59.01390	3.3
61.77694	1.5
66.31583	1.5
69.03455	3.1
69.42399	8.1
69.42826	5.6
73.02949	4.1
83.05024	6.0
85.02952	6.0
87.00861	2.0
88.16808	1.5
88.28909	1.5
93.03458	3.0
94.04249	2.1
95.05023	29.9
98.03724	2.6
101.41474	1.8
109.02935	4.6
109.06595	3.1
111.04521	23.8
111.08170	4.8
113.02512	2.3
113.06096	27.1
115.04000	4.5
121.06585	8.4
122.03733	3.4
123.08167	5.4
124.05288	2.1
124.50834	1.6
133.06651	3.0
135.08150	3.6
137.06082	7.7
137.09731	3.2
139.07672	8.1
147.08095	2.3
149.09703	11.2
151.07664	2.6
152.08485	2.1
155.07228	4.2
163.04051	2.2
163.11327	2.7
165.09198	7.1
167.32199	1.7
171.11794	7.1
174.10611	2.0
189.12845	100.0
190.13150	7.3
207.13902	9.7
233.11852	4.5
251.04718	1.7
251.12869	92.4
252.13190	6.1
267.06693	3.4
268.64828	1.8
295.06097	5.3
295.11856	64.4
295.15240	3.2
296.12186	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	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
58.00604	4.1
58.00838	0.8
59.01381	96.4
60.01721	1.0
70.92030	1.5
71.01385	41.8
72.99304	4.1
73.02958	1.0
83.01381	2.2
85.02950	10.3
85.57265	0.9
87.00887	2.7
89.02450	54.8
95.01385	3.2
101.02447	31.1
101.33693	0.8
110.48194	0.9
113.02459	15.4
113.68728	0.9
114.02784	0.9
119.03502	23.2
119.04999	0.9
131.03522	1.2
133.05049	2.1
136.31393	0.8
138.46860	0.9
143.03461	2.3
149.04529	1.1
161.04443	1.1
163.03957	1.2
174.48309	0.8
179.05586	2.7
247.45297	0.8
295.10324	100.0
296.10736	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56174	0.5
52.04332	0.6
57.03449	5.3
59.01380	3.7
61.98821	1.5
69.34435	5.0
71.01379	3.7
80.96681	0.6
83.04999	0.8
83.97733	0.5
85.06585	0.8
96.96022	1.0
97.06591	1.4
109.06577	0.7
112.82867	0.7
113.09726	20.7
121.02927	0.7
125.09679	0.7
139.11259	2.2
149.09645	1.0
167.10773	2.6
177.09180	2.4
177.12808	0.8
179.10777	2.3
185.11766	0.7
192.11534	1.8
195.13885	2.7
205.12364	2.2
218.09349	0.9
220.14682	16.3
221.15454	36.6
222.15891	3.2
235.13396	0.8
236.10539	26.5
237.10921	2.1
249.22234	1.9
269.12436	0.6
275.20154	1.8
284.46063	0.6
287.96344	0.6
293.04391	0.9
293.17944	4.8
293.21213	100.0
294.18231	0.6
294.21487	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	293.2488
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
50.71083	0.9
53.55919	0.8
56.84998	0.8
58.18133	0.9
58.76223	0.8
61.98831	2.2
68.38177	0.8
69.28745	4.4
69.29171	6.1
71.01384	2.2
74.22580	0.9
75.75336	0.9
79.95747	2.0
89.71337	1.0
90.79488	1.0
96.82552	1.0
96.96011	79.3
97.02885	1.0
98.19822	2.0
140.64972	0.9
158.78021	1.0
172.61844	1.0
177.09180	1.9
177.48318	1.1
192.11671	1.5
193.15964	1.9
205.12381	1.2
220.14651	15.6
221.12169	1.4
221.15466	27.6
222.15736	2.4
236.10510	21.0
237.10939	1.3
293.17944	53.7
293.24850	100.0
294.18137	4.6
294.25137	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	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71139	0.5
53.94567	0.5
55.01871	0.5
57.03435	1.9
59.01387	5.9
66.57351	0.6
69.03456	6.0
69.68227	3.4
71.01385	1.2
72.04552	5.9
72.99319	1.3
74.02475	67.6
75.00890	0.8
76.54047	0.5
81.03437	0.6
83.19739	0.6
85.02956	0.7
87.00884	3.1
87.04525	1.7
93.03446	1.2
95.05019	1.3
98.02463	1.1
100.00376	0.9
101.01849	1.0
101.02452	11.6
109.06565	0.9
113.02449	0.9
116.03529	6.9
117.03477	0.7
119.05027	65.9
120.05362	2.3
124.03977	0.6
127.00368	1.0
131.03508	23.7
135.08171	1.2
145.02962	1.3
149.04533	4.7
163.04005	100.0
164.04337	5.1
177.09213	1.7
208.83821	0.6
221.08182	0.5
234.11339	1.4
236.06770	0.5
252.12387	10.6
278.10291	4.1
295.05704	1.0
295.08401	1.6
296.11383	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01373	0.6
61.98838	0.5
71.01385	1.1
71.62259	0.6
72.16077	0.4
73.02950	0.6
96.96008	2.3
97.06574	0.8
121.10212	0.6
123.08151	0.8
125.09715	4.7
127.07626	0.4
141.12836	1.1
149.09720	1.6
171.10237	1.2
177.09224	0.7
185.11823	9.5
185.13426	0.6
192.11560	1.0
193.15927	0.7
195.13901	0.6
197.11850	2.3
199.66162	0.3
205.12347	0.7
220.14667	4.8
221.15456	9.6
222.15707	0.6
236.10522	6.1
249.22191	1.1
275.20117	1.3
293.21216	100.0
294.18155	0.7
294.21521	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01381	0.6
60.40957	0.3
71.01383	1.0
71.62515	0.6
82.89898	0.4
96.96004	2.2
97.06590	1.0
97.22639	0.3
111.92726	0.4
121.10241	0.8
125.09715	4.8
130.88298	0.4
141.12874	1.1
149.09702	1.5
171.10202	0.8
177.09177	0.8
183.05501	0.3
185.11813	9.0
186.12090	0.6
192.11501	0.8
193.16020	0.9
197.11864	2.5
205.12326	0.6
220.14691	4.1
221.15414	9.5
221.17470	0.7
222.15906	0.6
236.10541	6.5
237.10944	0.5
249.22180	1.2
275.20181	1.6
293.21219	100.0
294.18179	0.7
294.21533	9.8
305.96304	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	293.2121
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
54.95147	1.1
59.01365	2.6
60.55046	1.2
60.72461	1.0
69.48101	5.5
69.48534	4.3
69.64019	1.1
114.08796	1.1
115.01227	1.2
121.10238	44.5
122.10571	2.6
125.09737	1.6
171.10266	77.7
172.10567	3.6
183.10263	4.0
183.13901	5.2
185.11838	3.9
211.13339	2.4
231.21092	3.9
232.21490	1.2
275.20139	100.0
276.20523	8.7
293.21225	88.3
294.21466	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.0
57.52011	0.6
59.01369	2.8
61.98831	1.7
69.03439	1.0
71.01390	3.1
71.05002	0.8
71.62817	0.7
72.99297	0.7
77.64511	0.6
77.72233	0.7
96.96000	1.8
123.08176	1.3
127.07646	0.8
136.08902	1.4
139.11325	1.1
151.11293	2.5
153.09300	0.9
154.30099	0.7
169.12331	3.0
177.09129	0.7
180.16302	0.7
192.11526	2.5
193.15985	2.7
197.11827	35.5
198.12137	2.5
205.12238	1.5
213.15031	1.2
220.14699	8.8
221.15459	19.6
222.15790	1.6
231.21106	1.7
231.76653	0.7
236.10518	16.7
237.10974	1.5
249.18645	1.0
249.22238	1.3
275.20157	20.7
276.20526	1.9
276.69681	0.6
288.67990	0.7
293.17935	5.5
293.21216	100.0
294.21548	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.69860	0.8
71.23452	1.5
75.92059	0.8
82.35832	0.7
111.08177	0.9
115.92767	0.8
127.02013	0.8
174.47179	0.8
179.14531	1.0
195.12230	1.2
195.13898	14.5
196.14523	1.4
201.30884	0.8
205.12335	1.1
223.13383	11.2
224.13754	1.2
234.48024	0.8
245.61696	0.7
256.13110	4.0
275.20181	8.2
276.20575	0.9
293.21237	100.0
294.21558	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
61.49372	0.4
61.89676	0.4
69.37989	1.0
69.38410	2.7
70.89486	0.4
95.05067	0.4
95.93307	0.4
97.06597	1.0
123.08163	0.7
125.09723	4.6
141.12849	1.0
149.09726	2.3
173.86629	0.4
185.11815	9.6
186.12190	0.5
186.29375	0.5
197.11749	2.6
209.12025	0.5
220.14729	0.6
221.15364	0.8
236.10518	1.0
240.98323	0.5
249.22276	1.1
275.20145	0.8
293.21216	100.0
294.21533	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01374	0.6
69.03474	0.6
69.45210	0.4
70.40451	0.8
70.40781	0.8
71.01379	1.4
72.99303	0.6
83.05008	1.0
86.02540	0.4
88.82865	0.4
95.23911	0.4
96.96017	2.7
113.09714	1.8
125.09699	0.9
139.11292	4.0
143.41850	0.4
144.22447	0.4
153.12798	1.2
169.12764	0.4
171.10239	0.9
177.09222	0.6
191.18033	3.2
192.11508	1.2
193.15924	1.0
205.12296	1.3
220.14645	5.9
221.15457	10.6
222.15770	0.6
223.01109	0.4
224.14137	0.7
229.19753	0.5
236.10527	8.1
247.20711	2.5
275.20108	1.8
293.21213	100.0
294.18387	0.4
294.21555	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
59.01370	5.1
59.59514	1.6
60.17205	1.5
71.05014	6.1
71.39981	2.1
113.09715	3.0
160.84566	1.3
161.69849	1.4
163.34106	1.5
191.17903	1.4
192.53853	1.6
209.15381	1.7
220.14531	2.0
221.15480	6.4
223.17006	5.1
231.21123	3.0
231.96719	1.4
235.17024	41.8
236.10579	2.3
236.17363	2.2
267.38156	1.6
275.20148	36.7
276.20529	3.6
293.08710	1.7
293.21222	100.0
294.21661	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	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94244	0.2
57.44192	0.2
63.22602	0.2
66.37076	0.2
71.01383	8.3
72.99316	0.3
98.20659	0.6
127.07612	0.8
138.75626	0.2
147.72629	0.2
148.05249	1.2
149.06004	0.3
151.07597	0.5
164.08398	1.2
177.09212	6.0
192.11536	6.8
192.13234	0.5
193.12125	0.5
205.12323	7.7
206.12656	0.5
207.13918	1.3
217.08638	0.5
218.09456	2.1
220.14677	48.6
221.15442	100.0
222.15804	8.3
235.13373	1.2
236.10529	70.0
237.10907	6.1
293.17612	8.5
293.20859	0.4
294.17877	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	293.2122
Annotation	17-Hydroxylinolenic acid
Peak:m/z	Relative Intensity
50.59143	1.4
50.83289	1.5
56.39663	1.5
59.01366	4.2
65.29842	1.5
66.49033	1.8
67.68951	1.7
71.01398	3.0
78.37367	1.6
95.05009	3.5
98.20603	5.0
111.08146	2.4
113.09710	3.4
130.61453	1.6
135.11807	40.0
135.45193	1.6
136.08923	1.8
157.08702	94.6
158.09041	3.6
163.76770	1.7
173.32858	1.7
177.16469	2.0
192.11517	2.6
193.15916	3.2
195.41005	1.8
203.70461	1.7
205.12299	2.5
220.14653	7.9
221.15453	21.8
222.15837	2.4
229.12268	2.0
231.21228	4.8
236.10548	14.6
249.18602	18.0
250.18884	2.5
270.55508	1.8
275.20148	82.2
276.20398	8.2
293.17926	4.4
293.21198	100.0
294.21539	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16801	0.6
55.01875	1.1
58.00588	2.0
59.01381	43.5
60.01715	0.7
60.37923	0.6
62.73232	0.6
70.94894	1.3
71.01384	22.0
72.99313	1.3
73.02971	1.6
83.01392	2.2
85.02938	5.4
85.06585	16.9
87.00883	1.3
89.02446	21.2
95.01390	2.0
101.02448	14.8
113.02460	8.6
113.06091	2.6
115.07658	1.8
119.03513	7.7
127.07661	1.5
129.27396	0.6
131.07143	63.2
132.07489	1.7
171.32224	0.6
173.08253	2.0
179.05614	1.4
186.09608	0.6
249.55272	0.6
283.63321	0.7
293.12421	100.0
294.12784	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03436	0.8
58.00573	1.5
59.01382	44.7
62.12877	0.7
64.54504	0.7
65.72089	0.6
69.53532	3.6
69.53944	1.2
71.01385	21.5
72.99303	2.2
73.02953	1.2
83.01395	1.3
85.02953	6.8
85.06593	18.3
87.00894	1.6
89.02451	24.2
92.11943	0.7
95.01371	1.3
101.02450	15.6
101.03083	1.4
113.02464	8.1
113.06083	4.1
115.07682	2.2
119.03496	10.2
127.07688	1.5
131.07143	70.5
132.07487	2.1
173.08163	1.9
179.05620	1.2
293.12427	100.0
294.12775	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	293.1032
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
59.01375	5.1
69.03472	1.3
69.58239	6.1
71.01364	3.6
72.99311	100.0
73.99631	1.1
75.00874	1.2
85.02954	1.5
87.00880	1.9
89.02401	1.0
93.03468	1.0
96.96041	0.8
97.02953	0.9
97.06598	12.8
99.00929	1.1
101.02422	1.2
109.02921	1.1
113.02474	1.5
121.02962	8.4
122.03717	1.5
123.00825	0.9
123.04532	7.8
134.03755	4.5
135.04489	2.0
137.02443	4.8
138.75320	0.8
139.04044	1.8
146.03725	1.8
147.04489	2.4
148.05286	0.9
149.02408	0.9
149.06046	1.3
150.03210	1.1
151.03951	2.7
153.09229	1.4
159.04488	2.5
159.08113	1.4
161.02414	1.1
161.04581	0.9
161.06068	2.2
162.06816	1.7
163.07597	2.3
172.05232	1.7
173.06067	2.8
174.06775	1.3
175.04012	3.2
175.07639	4.6
176.04785	3.7
178.02739	8.2
179.03375	0.8
185.09866	0.8
187.03996	1.5
187.07642	26.7
188.07985	1.9
189.05634	1.3
189.09096	1.0
190.06393	7.7
191.10786	2.0
200.04796	1.0
201.05626	1.6
201.09222	5.5
202.06332	4.4
203.07126	1.2
203.10785	2.5
205.08765	5.9
213.09227	6.1
215.07088	3.3
219.10265	24.9
220.10605	0.9
221.11839	1.3
229.08653	1.4
231.10271	14.0
236.10376	1.0
247.09601	0.9
249.11369	2.2
265.05035	1.2
275.09256	8.7
293.04889	5.8
293.10330	26.5
293.13846	3.8
294.10730	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	293.1033
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
51.17215	0.6
59.01374	4.5
61.07394	0.7
63.19837	0.6
69.03460	1.4
69.60011	2.6
69.60425	2.6
71.01384	2.9
72.99310	100.0
73.02931	1.1
73.29987	0.7
73.99659	1.4
80.50180	0.7
80.96513	0.9
85.02961	1.1
87.00876	2.0
89.02442	1.1
93.03432	1.2
95.01363	0.9
97.06602	12.0
98.20689	0.9
99.00903	1.0
109.03011	1.0
113.02471	1.0
119.05027	0.8
121.02956	8.6
121.06633	1.0
122.03741	1.1
123.00997	1.1
123.04522	7.5
133.02933	1.0
134.03752	6.1
135.03008	0.9
135.04539	1.5
135.08211	1.1
137.02463	4.0
139.04005	1.3
145.03017	0.7
146.03781	1.3
147.04517	2.3
148.05252	0.7
149.06090	1.8
150.03200	2.0
151.04024	3.7
159.04561	2.0
159.08136	1.7
160.34850	0.8
161.02448	1.0
161.04651	1.2
161.06039	1.8
163.07674	2.9
165.09259	1.0
172.05301	2.3
173.06137	3.4
173.09683	0.8
174.03406	0.8
174.06837	1.8
175.04018	3.7
175.07619	4.5
176.04839	3.1
177.09106	0.7
178.02725	7.1
179.68004	0.7
183.04570	0.9
185.06209	0.9
185.09761	1.1
187.04056	1.7
187.07661	26.0
188.08058	1.5
189.05573	1.7
190.06378	8.0
191.10870	1.0
197.76389	0.7
200.04779	1.1
201.05550	1.5
201.09245	6.2
202.06299	4.6
203.07094	1.1
203.10829	2.5
204.07971	1.1
205.08661	4.6
211.23918	0.9
213.09175	6.4
215.07185	3.0
219.10262	24.5
220.10585	1.3
231.10260	16.1
231.13812	1.1
249.11389	1.8
249.15013	1.1
257.08347	0.9
264.04489	0.7
265.05002	1.5
275.09244	9.5
293.04919	5.8
293.10370	26.9
293.13873	2.9
294.10651	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	293.1031
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
58.90124	0.2
59.01383	0.3
62.01181	0.2
69.03444	1.2
71.01357	0.3
71.42863	0.2
72.99309	100.0
73.99663	0.8
75.00883	0.2
81.03468	0.2
87.00881	0.8
93.03462	1.0
95.05047	0.3
97.06591	11.2
108.02194	0.3
109.02944	0.8
121.02961	7.2
122.03766	1.9
123.04532	7.7
124.01685	0.2
133.02946	1.0
134.03735	3.3
135.04532	1.2
135.08170	0.3
137.02454	3.6
139.03973	1.1
146.03725	1.8
147.04514	2.0
147.08157	0.3
148.05281	0.7
149.02466	0.3
149.06056	1.2
149.09720	0.2
150.03226	1.8
151.04007	3.0
157.06601	0.5
158.03712	0.8
159.04492	2.7
159.08177	1.8
160.05377	1.0
161.02379	0.2
161.06061	1.7
162.03174	0.3
162.06874	1.4
163.07657	2.8
165.09151	0.6
169.10226	0.2
171.08096	0.2
172.05295	3.0
173.06058	3.5
173.09737	0.3
174.03252	0.7
174.06860	1.4
175.04010	4.0
175.07632	4.4
175.11308	0.3
176.04776	3.9
176.08102	0.4
177.09225	0.5
178.02707	7.9
179.03268	0.5
183.04486	0.5
184.05280	0.6
185.06068	0.8
185.09734	0.6
186.06815	0.8
187.04156	1.8
187.07639	26.3
188.08017	1.9
189.05583	1.6
189.09210	0.8
190.06354	8.5
191.06779	0.7
191.10777	1.4
193.08705	0.3
195.08176	0.3
196.03780	0.6
197.06123	0.7
198.06894	0.4
199.07661	0.5
200.04770	1.0
201.05586	1.9
201.09207	6.0
202.06371	4.8
202.09604	0.6
203.07140	1.3
203.10753	2.4
204.07808	1.0
205.08678	5.3
211.07605	0.4
213.05927	0.2
213.09204	6.2
214.09532	0.5
215.07130	2.8
216.07889	0.7
217.08737	0.2
218.05818	0.3
219.10249	26.0
220.10605	1.6
221.11845	0.7
229.08650	0.8
231.06537	0.5
231.10249	14.2
232.10616	1.0
247.09813	0.5
249.11310	1.8
257.08246	1.3
271.75436	0.2
275.09247	5.8
276.09567	0.4
280.75635	0.2
293.10306	22.2
294.10599	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	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01876	2.8
57.03443	3.4
59.01375	19.9
60.31699	0.9
67.01871	1.4
68.99815	7.0
69.03458	3.0
70.24271	4.1
71.01384	27.8
72.99303	2.9
73.02947	67.4
75.00875	14.9
81.03448	2.1
83.01397	4.7
85.02951	42.2
86.39803	0.9
87.00883	13.5
87.04527	3.1
88.05095	1.1
89.02455	3.7
93.03471	1.8
95.01389	3.7
97.02930	5.1
98.20556	1.1
99.00874	9.9
99.04536	1.1
101.02446	24.7
103.04007	25.3
109.02960	4.0
111.00883	21.5
113.02453	9.5
115.04006	27.2
117.01970	1.0
119.03506	3.5
123.04536	2.0
125.02462	9.0
127.00380	2.0
127.04016	1.1
129.01941	24.8
131.03499	4.4
133.05078	33.9
137.02446	3.5
137.16203	1.1
139.04001	2.0
141.01921	4.6
149.02467	1.9
151.04031	2.1
152.07140	2.3
153.01910	7.5
159.02988	100.0
160.03331	4.0
167.03557	4.7
167.04704	1.0
171.02945	2.7
179.03511	1.4
185.04562	4.5
189.62399	1.1
197.04590	1.5
203.05727	1.4
217.07172	2.1
227.05627	1.2
245.06644	39.0
245.09174	2.2
246.07080	2.0
275.07721	3.1
293.08759	13.9
294.09125	1.4
306.53275	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	293.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50788	1.4
55.01865	2.7
57.03439	4.6
59.01135	1.7
59.01382	18.9
67.01896	2.4
68.99850	6.6
69.03448	3.7
70.46789	2.7
70.47186	3.9
71.01382	25.8
72.98190	1.3
72.99303	2.6
73.02950	76.4
74.03296	2.0
74.37999	1.2
75.00875	19.9
81.03463	3.3
83.01382	7.2
85.02958	42.8
87.00878	15.5
87.04502	4.6
89.02460	2.6
95.01384	4.3
97.02945	9.7
99.00858	10.2
99.47188	1.2
101.02444	25.2
103.04014	29.8
109.02953	4.2
111.00877	25.4
111.04536	1.4
112.98573	2.2
113.02465	8.8
115.04013	28.9
119.03415	1.7
123.04539	1.4
123.63853	1.4
125.02435	9.6
129.01068	1.7
129.01962	22.7
131.03479	3.7
133.05080	35.4
134.05386	1.5
137.02463	3.7
137.73793	1.3
139.04021	2.3
141.01961	4.8
144.86977	12.0
149.02428	3.2
151.03925	1.6
153.01924	7.3
159.02991	100.0
160.03299	2.7
162.52065	1.3
167.03456	4.2
171.02991	3.2
183.02985	1.8
185.04488	2.7
197.04572	2.4
245.06664	39.4
246.07018	1.7
275.07742	4.2
293.08850	14.2
313.47604	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	293.0457
Annotation	Euplectin
Peak:m/z	Relative Intensity
58.60828	1.1
72.99312	13.9
97.55077	1.4
99.95163	1.0
109.02975	1.5
115.10552	1.2
123.04462	1.2
134.03789	5.6
137.02423	2.6
151.04037	1.4
162.03236	1.7
177.02025	1.2
178.02716	3.2
180.05855	1.2
187.07614	2.7
191.05093	2.5
193.06575	2.0
195.04575	1.8
208.05231	2.5
209.06059	3.7
213.09181	1.5
219.04497	20.9
219.10229	2.9
220.05000	3.7
221.06021	3.0
229.50655	1.7
231.10205	1.7
232.05312	1.6
235.04050	5.5
236.04840	5.7
237.05573	17.9
238.05804	2.1
247.03995	18.2
248.04736	15.7
249.05492	5.5
251.03467	5.0
263.03415	7.0
264.04260	26.1
265.05038	53.4
266.05389	4.5
275.03479	20.4
276.04138	4.6
291.02966	9.5
292.03653	2.9
293.04565	100.0
293.10129	3.7
294.04938	11.0
310.66019	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	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01881	2.3
57.03456	1.0
58.00591	3.3
59.01380	85.8
65.05496	0.9
69.03458	9.9
69.40532	10.4
71.01381	85.2
72.99311	12.0
73.02953	11.4
75.00870	3.5
81.03452	5.6
83.01392	5.2
85.02959	10.0
87.00869	2.5
87.52766	1.1
89.02443	100.0
90.02814	2.0
95.01391	2.5
97.02950	12.4
98.19897	2.0
99.00882	12.4
99.04538	2.8
101.02444	9.7
109.03017	1.4
111.00858	2.0
113.02481	5.2
115.03999	7.2
119.03551	1.0
125.02441	38.3
131.03485	5.4
134.03732	3.9
137.02449	2.1
143.03487	2.9
149.02373	2.3
149.04549	3.7
151.04024	5.4
161.04581	2.1
178.02582	1.6
179.03339	1.5
187.07639	1.7
191.05614	2.9
231.10304	1.5
233.06627	16.4
241.70737	1.2
275.09262	2.7
293.04584	2.5
293.08298	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	292.192
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
54.16864	0.3
58.02977	0.7
59.01369	1.3
61.45801	0.3
67.39741	0.3
69.44485	2.0
69.44891	0.6
71.01384	0.9
72.99296	0.3
74.03647	0.3
75.82417	0.3
93.69350	0.3
109.40385	0.3
136.03990	0.3
156.13934	100.0
157.14282	4.9
177.09171	0.6
185.11551	0.3
192.11522	0.6
200.12920	6.1
201.13336	0.5
205.12286	0.5
220.14693	4.7
221.15451	10.8
223.13446	0.3
235.13315	0.5
236.10536	7.5
275.20181	0.6
292.02597	0.3
292.19980	4.1
292.99426	0.4
293.14572	0.4
293.17654	1.7
293.21225	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	292.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
59.01370	3.3
67.01886	2.2
69.59525	7.2
70.02959	1.1
71.01389	2.2
72.00909	7.6
72.04527	4.9
82.02983	82.2
83.01385	13.5
84.04542	9.9
85.02947	2.8
91.05522	4.3
94.03000	6.4
98.01859	2.0
98.02472	26.1
99.00847	3.0
100.04039	12.3
108.04520	1.0
108.55505	1.0
110.02467	3.0
111.03259	21.3
112.21731	1.1
114.40323	0.9
118.06639	6.2
118.19117	1.1
122.01860	1.0
126.01950	4.2
127.00383	9.6
131.05045	1.4
135.96468	0.9
144.08167	2.4
147.04524	41.1
148.04825	2.1
156.08154	1.6
158.03667	1.1
159.08142	1.8
164.07159	42.0
164.08534	2.3
165.07472	2.4
184.07663	26.6
185.07957	1.6
186.09222	14.8
187.09523	1.3
188.97322	1.1
202.08730	23.4
203.09053	1.2
204.10278	1.1
230.08214	23.7
231.08543	1.4
246.07690	100.0
247.07999	8.7
248.09294	2.5
274.07211	39.2
275.07483	3.1
292.08282	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	291.1965
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03441	1.7
66.19272	0.5
70.39293	2.1
93.07091	1.1
97.06579	1.8
112.91887	0.6
121.10238	15.5
123.08176	0.9
125.09724	9.5
139.11327	0.7
141.12837	1.0
147.08174	0.8
163.11166	0.7
165.12891	0.7
185.11835	18.2
186.12143	0.9
197.11845	4.4
209.11862	2.4
211.13362	2.1
217.41338	0.6
223.13376	1.2
247.13333	1.0
247.20746	1.1
273.18469	1.6
291.19650	100.0
292.19992	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01390	0.8
70.20406	1.8
73.02946	56.3
73.87043	0.5
74.03259	0.6
83.03796	0.5
103.74834	0.5
145.80005	0.5
147.22255	0.5
219.43863	0.5
291.19647	100.0
292.20023	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	291.1966
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
59.01382	11.5
61.98829	5.4
69.03455	2.7
70.64594	4.1
71.01374	3.1
73.02940	2.7
79.95718	2.4
82.13728	2.4
97.06593	100.0
98.23532	2.4
183.13982	5.0
193.12328	24.8
194.12984	4.3
211.13387	82.3
212.13783	5.6
224.28314	2.5
263.20090	4.6
273.18640	6.4
291.12579	4.9
291.19684	90.3
291.22989	5.4
292.20035	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.8
59.01376	1.1
61.09285	0.4
69.03446	0.7
69.44099	3.9
70.84352	0.5
71.05020	1.0
83.04980	0.8
83.95621	0.4
93.07096	1.5
97.06585	1.8
104.78306	0.4
119.05083	0.4
119.08661	4.2
121.10230	11.7
122.10585	0.6
123.08134	1.4
125.09721	7.6
131.52103	0.4
141.12836	0.7
147.08165	0.8
165.12875	0.5
171.10268	3.7
185.11819	14.9
186.12244	0.6
197.10223	0.5
197.11812	3.2
209.11813	1.3
211.13428	2.6
223.13445	0.8
229.19484	2.5
244.03636	0.5
247.13599	0.6
247.20689	3.1
273.18643	5.0
291.19650	100.0
292.19983	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	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
56.23548	0.9
57.03440	2.8
59.01379	100.0
60.01717	1.5
69.03474	1.0
69.62977	7.3
71.01385	9.8
73.02944	4.5
83.01395	2.6
85.02944	7.9
87.00894	1.4
89.02452	3.6
96.96014	1.3
97.02913	1.1
98.20570	2.0
99.00865	2.0
100.04051	3.4
101.02435	8.5
113.02459	5.8
118.06636	4.1
127.59887	1.0
129.56502	0.9
134.03574	1.0
135.04568	1.0
141.01956	5.9
145.08707	2.3
159.02971	2.1
161.02440	1.2
161.04533	2.2
164.07123	1.2
202.08743	1.6
204.10275	2.9
211.06148	0.9
217.08649	1.2
230.08200	3.2
247.09686	1.6
248.09328	5.3
249.13460	8.7
291.06912	7.0
291.12186	3.0
291.14969	2.0
291.19461	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01382	0.5
63.17968	0.4
66.71368	0.4
93.52013	0.4
97.06586	0.6
98.19720	0.7
119.05033	0.6
125.06095	0.6
143.83109	0.5
148.08957	1.2
150.10471	1.3
151.11246	0.6
163.11270	0.8
165.12846	21.4
166.13155	1.3
175.11272	0.9
176.12025	0.5
191.14394	1.0
217.16023	0.4
245.18968	0.5
247.20660	10.6
247.23074	0.9
248.20898	1.0
261.69711	0.5
273.18588	6.7
274.19046	0.5
291.19653	100.0
292.20035	9.9
305.04617	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	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
56.23548	0.9
57.03440	2.8
59.01379	100.0
60.01717	1.5
69.03474	1.0
69.62977	7.3
71.01385	9.8
73.02944	4.5
83.01395	2.6
85.02944	7.9
87.00894	1.4
89.02452	3.6
96.96014	1.3
97.02913	1.1
98.20570	2.0
99.00865	2.0
100.04051	3.4
101.02435	8.5
113.02459	5.8
118.06636	4.1
127.59887	1.0
129.56502	0.9
134.03574	1.0
135.04568	1.0
141.01956	5.9
145.08707	2.3
159.02971	2.1
161.02440	1.2
161.04533	2.2
164.07123	1.2
202.08743	1.6
204.10275	2.9
211.06148	0.9
217.08649	1.2
230.08200	3.2
247.09686	1.6
248.09328	5.3
249.13460	8.7
291.06912	7.0
291.12186	3.0
291.14969	2.0
291.19461	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	291.1086
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01878	5.6
57.03444	3.3
58.00599	5.5
59.01379	100.0
62.78852	1.5
64.42754	1.2
67.05527	4.0
71.01382	82.8
71.18118	2.8
72.99306	4.2
73.02943	17.7
83.01376	11.9
85.02947	32.0
87.00877	5.2
89.02445	61.0
92.53332	1.3
95.01395	5.4
99.00890	6.4
101.02444	62.8
102.02808	1.3
106.23281	1.4
111.04495	2.9
113.02454	30.5
119.03503	21.6
129.05569	1.9
131.03531	2.6
141.01938	2.3
143.03503	4.5
159.02977	3.8
161.04527	15.3
179.05548	3.6
184.64322	1.8
198.20313	1.6
247.11833	17.3
248.12228	1.5
291.07581	3.5
291.10797	29.2
298.20511	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	291.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.1
57.03448	10.9
58.00573	1.9
59.01380	41.3
61.59999	0.7
68.99829	0.7
69.03458	9.6
70.12365	3.0
71.01383	25.0
72.99292	2.4
73.02937	3.4
75.00857	0.9
83.01370	2.4
85.02950	28.2
87.00871	3.1
89.02444	28.1
95.01381	3.3
97.02946	9.5
99.00877	2.8
101.02435	3.7
111.00886	9.0
113.01678	1.3
113.02451	21.7
114.71381	0.6
123.00877	2.6
125.99544	0.8
129.01917	2.0
131.03487	1.9
141.01942	47.5
142.02271	1.5
149.04541	1.7
159.02985	15.9
160.61815	0.7
273.12384	0.9
291.07205	100.0
292.07581	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	289.1809
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
54.41599	1.1
57.03439	2.9
59.01365	3.2
69.38608	6.8
69.39017	2.8
82.44928	1.1
83.05062	1.3
97.06600	2.5
111.44701	1.2
113.58696	1.2
119.08669	54.7
120.08995	2.9
123.08160	2.5
125.09722	9.9
139.30956	1.2
161.02357	1.1
185.11775	7.4
211.13380	4.7
245.19107	8.9
247.13306	2.0
271.16989	4.2
289.18091	100.0
290.18411	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	291.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.9
57.03445	11.8
59.01380	39.8
65.07874	1.2
69.03468	9.3
70.03768	1.4
71.01384	32.8
71.64525	1.6
72.99313	3.0
73.02946	7.7
85.02950	28.6
87.00846	5.0
89.02450	41.8
95.01365	4.5
97.02953	6.6
99.00875	3.1
101.02428	5.8
111.00871	10.1
113.02448	19.0
114.32868	1.5
123.00875	5.1
123.04489	3.4
129.01906	5.8
131.03494	1.7
135.04543	2.1
141.01947	100.0
142.02248	2.5
149.04543	1.7
159.02994	34.3
168.68289	1.1
175.24747	1.3
214.26962	1.2
247.02385	1.4
291.07190	46.6
291.12476	3.5
291.16074	1.8
292.07504	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	289.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21428	3.2
63.72843	4.3
98.19831	8.6
103.29764	3.3
107.38122	3.4
124.76268	4.0
126.90508	100.0
130.88947	6.8
145.06847	3.6
145.09782	8.9
146.86690	10.3
173.09248	7.2
198.03539	3.8
208.91757	4.4
287.30771	4.0
288.77811	17.1
289.06854	10.4
297.09186	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	289.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71159	28.8
65.63081	32.2
70.74749	63.3
70.75105	61.2
102.68335	26.1
139.38029	31.6
192.95670	30.9
206.04810	33.8
283.47089	31.4
289.06906	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	289.1195
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
54.92720	0.6
57.04315	0.5
59.01378	0.8
60.42231	0.5
69.18570	0.6
71.63050	0.5
80.05069	2.1
80.96529	1.9
83.05050	0.5
85.02970	0.8
92.05061	7.2
94.02972	1.3
94.06627	13.6
95.05023	0.8
104.05072	4.6
105.03472	4.3
106.02961	0.8
106.06628	46.3
107.03787	1.7
107.06950	1.5
108.04557	5.3
110.02527	0.6
120.04554	16.5
121.05371	5.5
121.67927	0.6
122.02489	1.6
122.06126	46.4
123.03277	8.6
123.04596	0.6
123.06464	1.5
124.07678	1.6
131.03798	1.5
132.04558	10.1
135.03273	1.7
136.04071	1.4
138.05615	87.6
139.05945	2.7
140.07184	4.5
144.08195	1.1
147.04532	0.9
148.04030	4.3
150.05598	24.9
151.06012	1.2
158.06120	0.8
158.09724	0.8
159.06902	3.7
164.03563	0.7
166.05101	6.7
168.06693	1.0
172.07715	1.4
172.11279	0.7
173.08446	2.4
174.12859	4.0
184.11249	3.1
186.09270	1.1
187.09991	1.3
188.07140	3.0
188.10832	0.6
189.07970	7.6
193.16856	0.7
197.07199	0.7
198.07948	1.4
200.05916	1.6
200.09428	1.1
202.08759	1.4
202.12375	9.2
203.09506	3.5
211.08727	0.6
212.05853	0.6
212.09546	1.3
213.06618	3.7
214.07449	0.9
215.11882	8.9
216.12253	0.8
217.07428	15.2
218.07784	0.9
218.11867	1.5
225.10402	0.7
226.07475	2.1
227.08249	2.0
227.11900	2.6
228.08995	2.2
229.09926	2.7
231.09010	6.6
231.11383	3.0
241.06200	1.3
241.09825	13.6
242.07076	1.1
242.10362	1.5
243.11380	15.2
244.11926	0.7
246.11354	10.6
247.11685	0.7
253.09857	1.2
254.10669	0.6
256.08493	0.7
259.10846	7.0
271.10864	24.4
272.11179	2.3
289.11935	100.0
290.12283	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	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01392	0.9
70.74048	0.7
70.74394	0.3
81.03455	1.3
92.05063	1.3
93.03448	1.7
107.03764	0.5
108.02180	0.6
108.04557	4.9
109.02952	5.4
121.02964	0.4
122.89696	0.3
124.01661	0.5
134.02483	40.4
135.03304	8.1
136.04045	40.6
137.02449	1.7
137.04385	1.3
148.04051	1.1
148.22658	0.3
149.04799	1.4
164.03615	0.3
176.03505	4.5
177.04247	0.7
181.03767	0.4
190.05028	0.6
204.06598	0.8
267.96619	0.4
288.16049	100.0
289.16373	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	287.1502
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
51.20412	0.5
57.03460	0.9
59.01380	100.0
60.01712	1.1
69.43835	1.1
69.44237	3.4
92.56187	0.5
97.06590	0.8
99.04530	2.5
100.04071	1.9
116.05060	0.7
130.25873	0.5
140.01482	0.8
165.12839	1.8
184.95988	0.6
203.08351	0.9
207.13916	3.4
209.11823	7.7
225.14949	6.0
227.12871	52.4
228.13225	3.5
243.11284	1.5
251.12898	2.2
264.12964	0.6
269.13928	15.9
270.14313	1.2
275.28745	0.7
287.15012	82.8
288.15338	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	288.0767
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01381	8.0
69.96560	1.7
72.00916	0.4
76.86491	0.4
90.97144	1.3
128.07216	0.7
130.08739	100.0
131.09071	3.2
132.98215	1.6
141.98251	0.7
145.09827	1.1
160.97668	0.9
174.99232	0.8
187.98772	0.5
202.98856	0.5
211.39572	0.4
227.97768	2.0
244.04982	3.1
246.06593	2.6
266.44287	0.4
288.07657	56.0
289.07996	3.6
289.14157	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	287.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.4
57.03183	1.2
57.03451	24.1
59.01381	100.0
59.44633	0.9
60.01697	1.5
63.28181	0.8
68.99812	1.3
69.03450	2.9
71.01387	10.9
71.05025	20.2
71.66136	1.5
72.99300	1.9
73.02934	2.7
74.02476	1.0
81.03455	2.6
83.01392	5.5
83.05031	7.8
84.02181	4.9
85.02953	90.2
85.06583	1.6
87.00861	3.5
89.00341	0.9
91.05505	1.7
93.03449	1.7
95.01379	1.5
95.05088	0.8
97.02937	2.0
97.06590	10.6
99.00880	1.7
101.06097	1.0
101.86043	0.7
107.05032	1.6
109.02952	1.2
109.06590	8.9
111.04523	13.2
111.08179	1.4
113.02436	5.5
115.03952	0.8
117.58820	1.0
125.02420	2.1
125.09721	1.0
127.07636	2.8
135.04515	2.3
137.06085	0.9
143.03450	1.7
143.10780	41.7
144.11090	1.2
195.62247	0.9
202.30045	0.8
207.13818	1.0
262.73740	0.9
269.14026	1.8
287.15018	60.6
288.15329	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	287.0775
Annotation	Dianthoside
Peak:m/z	Relative Intensity
55.01877	4.2
55.16365	1.5
57.03442	4.3
59.01384	11.5
64.85583	1.5
69.03444	7.5
71.01385	77.0
71.82348	1.6
72.99313	3.7
73.02953	19.1
76.98993	1.7
77.98399	1.6
83.01398	8.6
85.02954	29.4
85.06581	2.0
87.00855	4.9
89.02424	2.9
95.01383	7.5
97.02955	29.1
97.06600	2.2
99.00894	9.7
101.02441	33.1
104.34597	1.5
111.36237	1.5
113.02448	27.3
125.02446	100.0
126.02750	3.1
126.05634	1.5
127.00349	7.1
129.02086	1.8
133.93512	1.7
143.03474	1.9
146.08685	1.6
149.00903	2.1
155.07095	1.8
159.03004	8.4
161.04582	22.7
253.27882	1.7
287.08099	2.5
287.18579	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	287.0898
Annotation	Aglaidithioduline
Peak:m/z	Relative Intensity
50.75668	1.2
56.55444	1.1
58.10521	1.3
59.01385	16.6
69.94901	3.8
71.01366	2.3
82.01723	1.3
82.02976	3.1
84.00925	4.0
84.08150	1.3
90.97142	2.3
96.04556	3.0
101.02498	1.5
109.04082	2.1
110.02532	1.5
111.05592	1.7
117.00505	1.4
123.05643	2.3
125.02447	5.7
125.03569	15.0
127.00369	2.3
128.16127	1.2
130.08743	100.0
132.98207	1.7
139.05141	48.8
141.98155	1.2
167.04623	80.6
168.04955	3.9
170.90988	1.5
172.97678	1.8
186.99297	1.4
187.98788	1.3
228.01900	1.6
246.06584	2.2
286.94510	1.9
287.06476	4.1
287.08881	95.1
287.18738	5.1
288.07593	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
58.14197	0.3
58.33818	0.3
59.01365	0.4
64.27483	0.3
65.00263	0.3
66.47602	0.3
70.02971	1.1
71.65984	0.3
74.06126	1.8
78.95929	0.4
118.05099	1.2
150.96985	0.3
152.86334	0.3
240.23340	3.3
242.21204	1.7
268.22781	0.9
284.22421	0.3
286.23871	100.0
287.01837	0.4
287.19034	0.5
287.24261	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	285.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91799	1.1
58.00583	3.0
59.01383	100.0
66.43449	1.1
69.85728	5.8
71.01384	53.7
72.01722	1.1
72.63036	1.0
72.99316	2.6
74.77264	1.0
83.01395	1.3
85.02954	8.7
87.00879	2.3
89.02448	86.8
94.30040	1.0
95.01407	3.1
95.95184	1.0
101.02454	21.4
105.86429	1.2
113.02457	23.0
119.03513	25.2
131.03481	3.1
135.69740	1.2
143.03484	3.7
149.04536	1.5
161.04559	4.8
165.05652	1.1
179.05617	16.3
201.85005	1.3
207.08159	1.2
225.16090	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	285.0982
Annotation	Isohomoarbutin
Peak:m/z	Relative Intensity
59.01387	0.5
59.09465	0.2
71.01375	0.3
71.11916	0.3
71.12268	0.5
73.24400	0.2
73.43587	0.2
83.01385	0.2
87.46404	0.2
93.03459	16.8
94.03784	0.5
101.02422	0.4
101.26203	0.3
105.03487	0.3
109.02972	0.6
121.02961	51.8
122.03300	1.8
123.04527	100.0
124.04850	4.0
146.08563	0.2
175.03937	0.3
185.40958	0.3
285.04309	0.5
285.09747	0.9
285.13208	0.2
285.26984	0.7
288.51746	0.2
289.96451	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	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
58.56244	0.2
59.01361	0.2
63.02410	1.1
65.00320	3.0
70.08052	0.4
70.08446	0.4
79.44782	0.2
82.50970	0.2
83.01396	1.8
93.03491	0.2
105.03455	0.6
107.01395	5.8
109.02930	0.2
121.02968	1.1
124.41349	0.2
132.02177	0.4
133.02957	29.4
134.03317	1.2
140.81187	0.2
143.05026	0.4
147.04558	0.3
149.02454	3.8
151.00369	9.4
157.31120	0.2
158.02014	0.2
169.06601	0.3
171.04506	0.6
173.02422	0.4
173.05966	0.3
175.04008	5.5
176.04315	0.4
185.06116	0.7
187.04056	0.3
197.06046	0.6
198.03181	0.6
199.03984	4.2
201.01920	1.9
202.02135	0.3
212.04762	0.2
213.05531	0.9
214.02832	0.2
215.03513	0.7
217.05013	2.4
223.03947	0.2
239.03435	0.3
240.04256	0.3
241.05083	1.2
243.02948	1.3
257.04700	0.5
267.03003	0.4
278.10345	0.2
284.26608	0.3
285.04053	100.0
286.04398	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	285.0768
Annotation	2',6',beta-Trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
50.67344	0.3
52.59379	0.3
59.01382	0.8
59.44476	0.3
63.02401	1.1
65.00317	1.7
70.93742	0.7
70.94070	0.4
78.95895	0.6
79.98557	0.3
82.14771	0.3
85.02883	0.3
89.00333	0.5
95.05022	0.5
97.02953	1.4
101.03979	1.9
109.98864	0.3
121.02978	0.8
124.01662	50.4
125.02021	1.5
133.02953	0.5
139.04010	100.0
140.04343	3.5
145.02951	56.6
146.03249	2.6
148.01675	3.8
149.99602	0.7
163.04053	2.6
165.01910	2.0
241.05206	0.4
267.06497	0.3
271.98520	0.3
284.26688	3.2
285.04022	2.3
285.07651	3.4
285.20721	4.1
285.27097	1.1
286.23886	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	285.0402
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.01380	0.1
57.03438	0.3
59.01386	0.2
63.02396	2.6
65.00323	3.3
69.87951	0.4
69.88341	0.4
70.44620	0.1
71.05037	0.4
71.30405	0.1
79.01889	0.2
81.03480	0.3
81.36953	0.1
83.01389	1.4
87.04509	0.7
98.20576	0.3
99.04531	0.2
105.03462	0.9
107.01397	5.1
108.99284	0.1
109.02946	1.3
121.02953	1.4
132.02167	0.6
132.27094	0.1
133.02954	24.3
134.03294	0.8
137.09694	0.2
141.09163	0.2
143.05000	0.3
147.04500	0.4
149.02434	3.9
151.00369	8.4
151.03958	0.3
152.00633	0.3
153.12833	0.1
155.04950	0.2
157.06572	0.2
158.86378	0.1
159.04558	0.2
162.03493	0.2
167.04953	0.2
169.06631	0.2
171.04507	0.8
173.02333	0.2
173.06085	0.4
174.03168	0.2
175.02480	0.3
175.03996	5.2
176.04283	0.2
177.01907	0.4
185.06062	0.8
187.03975	0.3
189.05534	0.5
195.04463	0.3
196.05212	0.2
197.02470	0.2
197.06093	0.5
198.03175	0.8
199.03984	3.4
201.01936	1.7
211.04012	0.5
212.04826	0.2
213.05533	1.0
214.02678	0.1
215.03522	0.8
217.05054	2.4
218.05484	0.1
223.04044	0.3
226.02667	0.2
227.31747	0.2
229.04993	0.5
239.03447	0.5
240.04245	0.4
241.05029	1.2
241.17915	0.2
243.02907	1.1
257.04526	0.8
267.02966	0.4
268.03677	0.2
284.26694	0.2
285.04034	100.0
285.16675	1.0
286.04376	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
52.71957	0.4
54.03455	0.4
54.83079	0.4
63.59460	0.4
70.37106	0.5
70.37463	1.4
93.42762	0.4
98.20527	0.5
107.05030	96.7
108.05362	3.2
123.93069	0.3
147.52921	0.3
163.11288	100.0
164.11627	4.2
205.86386	0.4
206.13268	0.4
283.17041	83.1
283.26376	25.1
284.17355	7.8
284.26746	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	283.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16974	0.3
55.28864	0.2
59.01377	1.0
65.03957	0.4
69.28815	0.3
71.01387	0.3
75.00865	0.5
85.02941	0.5
93.03461	79.7
94.03799	2.2
108.02187	1.1
109.02971	0.7
113.02441	0.5
124.66884	0.4
137.02451	100.0
138.02802	3.5
159.04526	1.0
165.40909	0.3
225.05687	0.3
239.07100	0.5
250.06305	0.6
251.07033	0.5
253.05142	2.1
267.06558	3.0
268.07361	1.2
281.06668	0.3
283.06296	0.9
283.09732	3.5
283.15546	0.5
283.26431	13.6
284.09940	0.3
284.26828	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	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01722	1.4
62.08286	0.9
63.39035	1.1
69.90336	3.1
69.90730	1.7
89.02438	1.5
96.65058	0.9
98.20621	1.1
99.04500	3.4
102.98592	3.6
107.06573	1.0
108.02162	1.3
108.99239	1.0
109.02937	3.7
121.02936	1.5
146.03758	4.7
147.04532	1.1
159.04512	6.6
194.34145	1.0
217.88257	1.3
237.05769	1.4
239.07098	2.5
240.04272	1.3
241.37973	1.0
242.34061	1.1
250.06335	2.2
251.07147	3.5
253.05070	10.5
255.03162	5.7
257.68225	1.2
265.05045	1.3
266.05896	2.2
267.06619	17.9
268.07275	9.4
283.02652	1.8
283.06189	6.0
283.09747	27.0
283.12723	1.6
283.15576	3.5
283.26428	56.5
284.03296	2.5
284.10208	3.2
284.26740	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	283.0608
Annotation	Acacetin
Peak:m/z	Relative Intensity
59.01402	0.4
63.02392	1.6
65.00353	0.6
69.48257	1.3
83.01381	1.1
100.76756	0.1
107.01389	2.7
109.02981	0.4
117.03476	0.5
124.04111	0.2
145.03011	0.2
146.03688	0.2
147.00856	0.2
148.01701	0.6
149.99586	0.7
151.00366	3.2
152.00743	0.2
153.54025	0.2
158.03725	0.4
167.05037	0.2
168.05769	0.2
169.01450	0.3
171.04507	1.2
172.05284	0.8
174.03159	0.2
183.04544	0.3
184.05299	0.5
195.04526	0.5
196.05324	1.1
199.04025	0.3
200.04758	0.8
211.03989	2.4
212.04762	1.0
213.05305	0.2
223.04041	0.3
224.04720	0.4
226.02547	0.2
239.03471	4.6
239.07063	0.3
240.04239	5.6
241.04594	0.4
254.05914	0.2
255.02975	0.4
255.06645	0.4
256.34979	0.2
267.02963	2.1
268.03751	100.0
269.04102	7.3
269.07050	0.2
283.06100	80.9
283.26398	9.1
284.06439	6.2
284.09525	0.4
284.26923	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	283.061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01368	1.9
65.03943	0.6
69.77881	1.7
69.78287	0.8
71.01364	0.7
73.02934	0.6
81.03426	0.9
85.02937	1.3
87.00866	1.1
93.03447	1.6
93.86095	0.5
95.01375	0.5
96.95972	0.7
98.19952	0.9
101.02451	2.3
101.99598	2.5
102.98582	0.9
105.03452	0.6
108.02171	1.6
109.02955	49.0
110.03275	1.8
111.00835	0.6
117.03442	2.5
119.05013	0.9
121.02935	2.6
123.00909	1.2
131.04991	0.6
132.02115	1.3
133.02963	12.5
137.02478	0.8
145.01845	1.0
145.02951	17.4
146.03772	4.9
147.04546	3.8
149.02412	1.1
151.03880	0.5
159.04489	1.3
161.02444	2.0
162.03212	1.2
165.07053	0.8
167.05028	0.7
168.58299	0.4
169.06543	0.7
171.08156	1.0
173.02438	21.3
174.03218	39.5
175.03743	3.8
179.03494	0.6
180.04289	3.2
180.05702	1.0
181.06548	2.6
183.04440	1.5
183.08083	0.9
184.05249	0.7
185.06070	3.1
187.03981	0.8
191.04982	1.3
192.30254	0.5
193.06572	0.9
195.04637	1.1
195.06586	4.1
196.05275	1.1
197.06032	2.2
198.06831	1.7
199.03989	0.6
199.07629	4.5
207.04497	0.7
208.05295	2.7
209.04095	0.7
209.06064	11.8
210.06668	1.6
211.03990	2.6
211.07538	1.7
212.04753	1.7
213.05475	1.8
219.04497	2.6
220.05205	1.2
221.06046	1.4
223.03976	0.5
224.04666	1.1
225.05589	4.4
226.06396	5.4
227.03600	0.6
227.07143	12.4
228.07417	0.7
230.23032	0.5
232.12885	0.5
236.04745	1.5
237.05569	20.8
238.06203	5.1
239.03520	0.6
239.07135	3.0
240.04347	2.5
241.04994	0.6
248.04613	0.5
253.05037	7.5
254.05814	16.6
255.06622	34.8
256.06854	1.7
264.04236	0.9
265.05066	6.6
265.16446	0.5
266.05765	2.9
281.04620	0.9
282.05344	3.0
283.06052	100.0
283.26407	33.6
284.06430	8.4
284.26682	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	283.046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98725	0.8
53.42561	0.9
55.01886	1.3
56.70749	1.1
57.03452	4.7
58.99584	1.1
59.01371	5.9
69.55139	4.6
69.55573	2.8
71.01390	25.3
72.07947	0.8
72.99313	3.7
73.02935	1.2
75.00877	28.5
83.01373	3.0
85.02955	20.0
87.00889	2.5
89.02461	1.0
91.01889	10.4
95.01385	3.3
96.95979	1.1
99.00896	1.6
101.02471	1.7
102.37797	0.9
102.98571	3.7
105.64661	0.9
108.02180	4.8
109.02945	9.7
111.00893	2.1
113.02454	7.4
115.00385	7.9
121.02917	2.2
123.04526	33.1
124.04885	1.1
129.02013	1.3
133.02925	3.1
134.02798	1.0
135.03043	1.1
145.02937	3.0
146.03627	1.2
147.04504	1.6
152.01193	7.0
159.04417	1.1
161.02490	2.0
167.03494	100.0
168.03838	2.8
171.58484	0.8
173.02428	4.4
174.03227	5.6
177.31668	1.1
183.04410	1.9
184.49321	1.0
199.07523	1.4
209.06020	2.5
211.03960	1.9
212.04820	2.1
213.05266	1.1
225.05591	1.2
226.06192	1.4
227.07118	4.9
237.05620	5.6
238.06273	2.6
239.03622	2.3
240.04311	6.8
253.05098	1.7
254.05894	4.9
255.06595	10.5
265.04904	2.3
265.07385	1.9
266.05795	1.5
282.05228	1.3
283.06055	35.6
283.08374	17.4
283.11969	1.9
283.15295	2.1
283.26431	91.6
284.06305	3.4
284.08911	2.2
284.26813	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	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81184	2.0
53.40461	2.0
59.01379	100.0
62.12562	2.1
69.76763	12.5
71.01394	2.9
71.05004	3.6
73.02952	3.8
81.03455	2.6
83.37295	2.2
87.00877	20.4
93.03436	3.3
96.96015	3.8
107.05036	4.0
108.44550	2.3
111.04512	2.1
119.05010	5.0
135.02985	2.7
137.02440	2.5
142.67192	2.0
145.02945	2.2
148.79727	2.3
161.09700	27.4
161.13333	3.6
163.03998	5.3
165.09091	2.1
187.11284	50.7
188.11620	3.9
189.09138	6.7
202.00917	5.8
205.12331	5.0
207.13866	2.5
209.06071	9.2
219.13869	14.8
225.05536	2.9
237.05589	6.2
253.04932	3.1
263.16385	3.9
265.04944	2.5
266.05832	34.9
267.06195	2.2
281.04553	10.5
281.08157	37.2
281.13940	10.2
281.17545	8.6
281.24844	11.6
282.08151	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	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
53.23718	0.2
53.49236	0.2
53.75256	0.2
54.03027	0.2
58.44068	0.2
59.01376	1.2
61.98840	0.4
66.00960	0.6
70.86477	0.4
70.86824	0.5
71.01382	0.8
72.77309	0.2
73.02939	0.3
78.00961	0.3
82.04120	1.3
89.02466	0.6
101.02451	0.4
107.03633	4.0
108.02044	7.2
109.02982	0.3
113.02449	0.2
116.60823	0.2
119.05045	0.3
120.05382	0.4
126.03093	5.9
130.08727	1.5
133.01563	28.1
134.01894	0.7
150.04210	100.0
151.02597	0.8
151.04666	1.7
152.01062	0.3
163.03957	0.4
164.04355	0.9
164.05724	0.4
198.17290	0.3
239.08582	0.2
276.71091	0.2
282.08417	25.9
282.24725	0.3
283.06241	0.3
283.08844	1.6
283.23264	0.3
283.26398	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.88128	0.2
59.01377	0.8
70.41077	1.0
88.63512	0.3
89.97917	0.2
96.96002	0.9
98.19901	0.3
136.40558	0.3
228.65204	0.2
261.22226	0.4
279.23270	100.0
280.23633	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01387	1.0
71.63204	0.7
84.05354	0.4
96.96021	4.3
121.03237	0.5
134.89503	0.5
155.28008	0.4
167.00160	1.2
168.37758	0.4
193.05484	0.8
234.10416	0.9
235.10031	11.8
236.10344	0.8
243.79068	0.6
259.89960	0.5
261.22104	0.6
279.16550	17.2
279.23282	100.0
280.16510	1.4
280.23663	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.01693	0.4
56.75175	0.4
59.01383	0.6
71.25592	1.0
82.40666	0.4
83.86232	0.4
261.22348	0.4
279.23288	100.0
280.23633	10.7
296.79187	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98067	0.5
58.92707	0.6
69.84738	3.1
71.01386	1.2
72.99300	0.9
73.02955	5.7
75.00875	4.5
83.85479	0.5
86.29517	0.5
87.00882	8.2
89.02464	0.9
93.03459	1.0
98.19853	0.7
105.09288	0.5
117.01947	12.7
117.03362	0.6
119.05031	58.7
120.05341	3.0
135.02995	12.5
145.02982	1.5
162.41415	0.5
163.04010	100.0
164.04366	5.3
262.06696	0.6
281.06848	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	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03495	0.5
53.17378	0.5
57.57002	0.5
59.01376	8.7
69.62143	3.6
71.01387	1.4
72.99299	0.8
75.42173	0.5
80.96534	0.9
84.99292	0.8
85.02953	0.9
87.00876	10.2
98.19862	1.0
101.02468	1.3
103.00374	5.4
103.05485	0.7
112.98808	10.0
119.05018	1.7
127.00383	2.3
130.44089	0.5
130.99867	1.6
147.04521	100.0
148.01500	0.6
148.04858	4.8
166.77899	0.5
176.22949	0.5
203.13257	0.5
230.77899	0.5
279.05084	1.8
279.08090	1.5
279.12296	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	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01876	1.9
56.32014	0.9
57.01815	0.8
58.00588	4.2
59.01382	100.0
69.27825	1.0
69.87431	2.0
69.87827	2.4
71.01385	56.2
71.05010	3.6
72.99321	4.8
73.02943	2.9
83.01366	2.1
85.02956	10.6
87.00896	2.9
89.02448	63.2
95.01376	2.9
99.04517	10.4
101.02451	33.5
113.01683	1.2
113.02454	21.2
115.03995	1.4
117.05580	13.6
119.03507	30.4
121.53755	1.0
126.90507	1.1
131.03513	1.7
143.03499	1.3
147.04449	0.9
149.04581	2.0
161.04556	1.5
179.05655	1.8
279.10843	86.4
280.11160	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.33515	0.6
71.25324	0.6
71.25743	1.0
76.81433	0.6
93.07376	0.7
137.94908	0.6
149.21777	0.6
224.50151	0.7
277.21722	100.0
278.22061	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
69.36406	2.5
69.36687	0.2
71.01359	0.7
73.08196	0.3
82.67048	0.3
83.05027	0.3
89.72881	0.2
98.20570	0.5
121.02943	0.5
161.93297	0.3
205.15903	1.0
233.19104	0.4
259.20703	0.5
275.20087	0.3
277.18243	8.7
277.21698	100.0
278.18799	0.5
278.22040	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55642	0.3
54.62252	0.3
59.01372	1.7
65.56435	0.3
66.15339	0.3
67.37351	0.3
71.01381	0.7
77.93401	0.3
83.05002	0.4
107.97763	0.3
113.04873	0.4
157.85469	0.3
196.22603	0.3
212.27838	0.3
233.22713	0.4
275.19986	0.4
277.21701	100.0
278.22018	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01382	2.8
71.01398	0.5
82.73199	0.2
83.05058	0.2
121.02953	0.3
127.07636	0.2
131.16260	0.2
205.15973	0.6
230.90894	0.2
231.93985	0.2
233.19196	0.3
233.22780	0.5
259.20526	0.5
275.20184	0.4
277.18365	4.4
277.21701	100.0
278.18842	0.6
278.22049	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
55.34907	0.2
59.01461	3.0
60.97567	0.3
70.21651	1.4
72.53074	0.3
76.15028	0.2
81.26472	0.3
82.51949	0.3
83.50442	0.3
103.02305	0.7
121.03279	4.9
127.01158	0.3
133.02965	0.3
134.89565	1.0
146.99512	0.7
147.08481	4.9
149.00970	0.7
153.09219	0.3
163.02611	0.3
165.00439	12.4
166.00523	0.6
180.99908	1.3
183.01625	0.5
189.04079	1.4
191.05647	10.9
191.07301	0.6
192.05849	0.8
205.07146	1.9
205.15961	0.9
207.05159	0.6
217.07167	0.8
231.08771	1.7
233.10332	100.0
234.10474	7.3
241.79265	0.3
253.76224	0.3
259.15530	1.1
277.16534	89.8
277.21338	24.0
278.04669	0.5
278.16711	8.9
278.21487	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	277.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
59.01383	100.0
59.49234	1.1
63.15143	1.1
63.88892	1.0
65.73151	1.0
70.55955	3.1
71.01385	7.6
73.02941	3.8
81.62684	1.0
83.01398	2.5
85.02953	5.5
87.84528	1.3
89.02451	1.0
99.00881	1.2
99.63881	1.0
101.02428	8.5
113.02431	3.7
122.06835	1.0
131.07140	6.0
138.05652	1.5
139.85887	0.9
145.02928	1.9
146.08208	1.2
159.02959	1.2
161.04538	3.7
164.68739	1.0
206.96381	1.1
235.11893	11.3
265.49887	1.0
277.07169	2.0
277.13071	6.9
277.21655	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	277.1227
Annotation	Pantetheine
Peak:m/z	Relative Intensity
58.02971	3.6
59.01390	1.0
70.02979	12.5
71.01366	0.4
71.05022	22.4
72.00916	0.7
72.88921	0.3
80.96478	0.5
87.05640	7.4
97.04102	0.7
99.04524	7.9
113.07217	0.3
114.05612	0.3
115.05145	1.7
116.07198	3.2
124.43295	0.4
129.05598	1.8
130.03339	11.0
131.05017	0.4
145.02982	0.8
146.08243	100.0
147.05980	5.2
147.08598	2.9
212.46689	0.3
217.11925	26.3
218.12263	1.3
243.13443	0.9
277.12268	39.1
277.21786	1.4
278.12543	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	276.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03445	1.8
58.52383	0.4
59.01376	2.6
64.35484	0.4
65.02203	0.4
66.13084	0.4
67.01900	2.6
68.99818	1.3
69.03444	3.2
71.01387	3.3
71.01738	0.5
71.62204	0.4
81.03440	1.0
83.01402	0.9
85.02956	9.5
89.02453	0.5
97.02949	3.9
99.04504	0.5
101.02446	1.8
101.03973	1.7
104.14427	0.4
109.02977	0.6
115.04007	0.8
116.05058	2.0
119.05032	10.5
121.02930	0.9
127.03999	0.5
129.03484	1.4
131.03780	0.4
133.02911	0.4
133.06618	2.4
135.04532	3.2
140.05060	3.2
144.04555	2.6
145.05060	1.3
147.04524	100.0
148.04849	3.5
156.04585	1.4
157.05414	2.1
157.06511	0.6
158.06111	12.1
161.06137	2.3
173.02429	0.6
189.05562	3.0
201.05510	0.6
216.58067	0.4
276.08792	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	276.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09167	0.3
55.01882	1.0
57.03432	1.6
58.90555	0.4
59.01378	3.1
67.01890	4.4
68.99820	1.7
69.03458	3.8
70.21855	1.4
71.01377	3.8
72.32475	0.4
72.99324	0.6
73.02997	0.4
73.93979	0.4
81.03454	1.4
83.01385	1.4
84.88599	0.3
85.02427	0.6
85.02953	11.9
89.02470	0.5
97.02958	4.9
99.04552	0.5
101.02429	2.0
101.03970	1.7
109.02975	0.8
113.99574	0.9
115.04044	0.8
116.05061	2.1
119.05024	10.5
121.02958	1.4
127.04002	0.6
128.91977	0.4
129.03482	1.4
131.03763	0.8
131.05000	0.8
133.06598	2.3
135.04523	4.4
137.08112	0.4
138.05589	0.4
140.05061	3.1
143.04897	0.4
144.04552	3.4
145.05070	1.6
147.04524	100.0
148.04875	3.8
156.04567	1.5
157.05325	1.1
158.06108	10.1
158.07471	0.6
159.04536	0.5
159.91092	0.4
161.06093	3.2
163.04001	0.6
173.02393	0.4
189.05547	2.4
201.05534	0.8
276.08835	1.6
277.05740	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	275.2016
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
52.27466	0.9
57.06960	0.8
59.01376	3.9
71.01894	1.9
96.19427	1.1
105.77447	0.9
124.83607	0.8
176.80402	1.0
177.16475	1.4
193.22519	1.1
213.42451	0.9
231.21147	9.6
257.19067	1.1
261.21667	0.9
265.64444	0.9
275.20157	100.0
276.20483	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	275.2017
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.85516	5.0
58.87555	4.8
59.01358	7.4
71.63303	7.1
90.71965	5.2
94.84282	5.4
110.60277	5.2
111.07688	4.8
151.38632	5.5
182.91861	4.9
191.14394	5.5
231.21170	100.0
232.21616	7.6
275.17078	8.8
275.20126	50.6
284.63727	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	275.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01385	4.3
61.28989	0.4
63.44438	0.5
71.01375	3.8
71.66100	0.4
72.99303	0.8
83.01396	1.5
84.04524	0.6
85.02960	3.1
85.79810	0.4
87.00874	1.1
89.02429	1.1
95.05028	1.1
101.02429	2.8
101.99605	0.6
103.00381	1.0
112.04117	0.5
113.02462	1.0
118.06646	0.6
118.91412	0.5
120.04531	4.3
121.05347	12.1
122.06145	7.4
123.03252	2.2
134.04680	0.6
134.06119	1.3
136.07683	100.0
137.08040	3.2
138.05612	29.3
139.05966	1.2
147.04524	3.1
150.05576	3.6
163.06360	1.4
173.06110	0.5
185.08194	3.2
187.07648	2.0
214.12320	0.9
232.13512	2.1
242.10573	0.7
257.12952	7.3
258.13303	0.9
260.91174	0.5
275.06714	0.6
275.11395	13.4
275.14084	2.9
275.18768	1.3
276.11768	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	275.1137
Annotation	Itoside M
Peak:m/z	Relative Intensity
50.32198	0.8
51.75579	1.1
56.58651	1.0
57.03447	1.4
58.00597	2.9
58.02965	1.0
59.01085	1.9
59.01375	23.3
60.99313	1.5
66.16936	0.9
69.03456	1.3
71.01384	3.8
71.05016	2.6
71.65488	1.0
71.65862	1.7
72.99299	6.6
73.02948	14.2
80.96516	0.9
81.03452	6.3
83.05043	1.5
84.02164	2.7
85.02950	22.5
87.00877	2.0
90.98602	1.0
93.03484	1.9
95.05030	4.0
97.02965	2.1
97.06593	23.6
99.04524	5.1
99.08160	1.1
107.05054	1.0
109.06594	19.0
109.64402	0.9
111.04533	1.1
113.02464	1.0
113.06099	8.7
115.04039	2.3
115.44410	0.9
119.47398	0.9
125.02441	2.1
125.06084	2.9
125.09712	1.3
127.00385	4.6
127.04026	1.3
127.05109	1.6
127.07655	15.0
131.07019	0.8
133.06628	6.1
133.10318	1.1
134.82175	0.8
135.08162	34.2
136.08524	1.6
136.52052	0.9
140.98634	1.1
143.07152	1.4
145.02911	1.2
146.02452	6.6
151.11304	5.2
153.05571	4.3
153.09225	1.9
154.01505	1.1
160.04033	2.7
170.04883	1.1
171.06659	36.9
171.10275	1.2
172.04013	1.1
172.07030	1.8
179.07120	8.5
188.03598	1.3
189.06703	1.7
189.40103	1.0
195.10233	13.8
197.08180	4.6
204.06619	1.2
213.11325	10.1
215.04681	2.1
215.09203	6.1
226.67784	1.0
233.10283	1.1
239.09218	6.4
257.10287	10.6
275.06476	2.5
275.11368	100.0
276.11703	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	275.0927
Annotation	3alpha,4alpha-Epoxyporelladiolide
Peak:m/z	Relative Intensity
61.48686	1.2
69.87946	1.1
71.62646	1.6
77.03970	2.9
81.26185	1.2
87.54667	1.7
89.03961	4.0
93.03458	2.2
95.05035	4.7
97.06602	4.2
100.03791	1.1
105.03463	20.7
106.04295	1.6
117.03445	8.3
121.02952	4.2
123.00812	1.3
123.04519	5.5
132.02184	1.2
133.02956	54.5
134.03740	100.0
135.04555	29.7
137.02446	18.5
139.04025	5.0
144.78485	1.2
149.02423	2.4
152.63362	1.2
159.04619	1.6
161.02437	5.0
162.03227	23.9
172.05292	2.0
173.06116	2.1
177.01884	9.1
178.02719	69.8
179.03242	1.6
187.07620	6.4
231.10249	68.8
232.10562	4.5
257.07922	1.2
275.09247	89.4
275.20056	3.1
276.09592	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	275.0926
Annotation	Linderadin
Peak:m/z	Relative Intensity
53.23243	0.6
56.33238	0.6
71.62905	0.8
72.99306	1.4
85.06590	2.5
89.03956	0.8
95.05022	1.1
97.06590	3.5
105.03453	1.2
106.04234	2.5
110.00513	0.6
116.05104	0.7
117.03458	0.9
119.05042	1.2
120.98326	0.6
121.03003	1.5
123.04603	1.0
133.02946	11.0
134.03740	100.0
135.04420	4.6
137.02429	7.8
139.04024	2.4
145.02985	5.4
149.02460	3.3
150.03191	1.5
161.02434	14.9
162.03221	55.4
163.03606	2.0
172.05321	0.7
173.06081	1.6
177.01935	2.8
178.02701	30.5
179.03134	1.3
187.07602	5.3
202.06322	1.9
203.10750	1.5
213.09187	1.2
231.10219	6.0
275.09247	54.0
275.16556	3.6
275.20135	1.9
276.09555	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	275.0926
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
56.65605	0.3
66.10496	0.3
69.03445	0.5
71.65345	0.6
85.02945	0.8
92.07995	0.3
104.03837	0.3
113.89593	0.4
119.88750	0.3
125.30792	0.4
130.04242	1.0
138.73801	0.3
144.05795	0.4
146.03729	1.3
147.04565	0.5
149.06065	0.3
151.07675	0.6
158.03731	2.4
159.04512	4.7
162.05367	0.3
172.05305	12.4
173.06067	7.6
174.06784	0.8
175.07629	0.5
180.06664	0.9
183.04634	0.4
184.05243	0.3
187.04169	4.0
187.07639	100.0
188.04510	0.5
188.07988	5.3
200.04829	0.5
201.05576	10.0
201.09117	0.3
202.06346	18.2
203.06769	1.5
203.10809	0.6
204.04271	1.8
213.09212	2.8
214.09579	0.5
215.07117	1.1
216.07985	1.2
231.10252	19.2
232.10564	1.6
275.09323	2.8
275.17529	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	275.0774
Annotation	Ranunculin
Peak:m/z	Relative Intensity
51.14650	1.2
55.01858	1.4
57.03450	16.6
59.01378	9.7
60.51561	1.2
61.98828	1.1
70.91722	1.2
71.01385	26.2
71.05051	1.2
72.99310	2.5
73.02964	8.5
74.51242	1.4
75.00874	2.0
83.01378	3.0
85.02478	1.8
85.02958	13.8
87.00871	2.4
87.04462	1.3
89.02465	1.8
95.01375	1.7
95.05016	1.4
99.00880	4.3
100.07393	1.1
101.02451	16.6
113.02454	100.0
114.02805	1.6
116.92849	8.7
116.95810	1.6
117.05585	2.3
125.02431	1.3
126.90316	1.2
127.00362	3.7
143.07167	2.8
159.03027	2.7
161.04564	12.3
192.95766	1.6
214.89661	1.4
215.02386	1.4
234.48964	1.2
257.11493	3.5
275.07681	2.5
275.11282	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	271.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
70.84769	0.6
70.85116	1.0
74.07786	0.4
107.91460	0.5
109.90549	0.4
117.93523	0.4
119.05066	0.6
211.20697	1.7
213.58977	0.4
214.05173	0.4
214.07620	0.5
219.14001	0.6
225.22244	2.0
253.21700	1.8
265.65652	0.5
269.21088	1.0
271.19394	4.1
271.22769	100.0
272.23087	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01891	0.6
59.01392	0.7
71.36521	0.6
83.04979	0.4
87.18845	0.4
99.92515	0.4
101.15068	0.3
197.19090	1.1
221.19104	0.5
223.20679	4.3
225.22237	64.6
226.22556	4.7
246.08141	0.4
253.21741	1.6
269.21222	0.5
271.22778	100.0
272.23141	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	272.099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55820	0.4
58.86409	0.4
59.01381	10.6
62.46264	0.4
70.83652	1.1
71.01347	1.3
72.00884	1.3
72.99306	0.5
73.02953	6.5
74.02460	0.5
74.67524	0.4
74.99301	0.4
76.57907	0.4
76.99118	0.7
78.00706	0.4
82.06591	0.6
85.62592	0.4
90.59930	0.4
90.97144	0.4
99.00880	1.0
105.43832	0.4
108.02172	3.3
109.02493	3.2
117.00467	1.0
117.01940	6.8
128.07204	2.6
130.08740	100.0
131.09103	2.5
133.01772	1.4
134.04778	3.2
144.98209	4.9
146.99773	3.2
167.04688	1.1
172.97681	30.3
188.02425	0.6
200.67882	0.4
212.99147	0.7
228.07404	2.5
230.08824	7.6
231.09190	0.7
233.93684	0.6
235.93326	1.1
244.08601	2.8
246.10243	2.0
254.98495	1.6
271.94531	0.5
272.10080	38.9
272.19662	0.9
272.99271	4.9
273.10153	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.68691	0.3
64.56168	0.3
65.78027	0.3
69.50295	1.0
69.50723	1.2
80.11790	0.4
104.22783	0.3
197.15660	0.3
202.61403	0.3
225.22279	4.8
226.22443	0.4
253.21617	1.8
254.44102	0.3
269.21219	1.1
271.22775	100.0
272.23135	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	271.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03524	0.9
59.01437	1.2
68.23407	0.8
71.01432	0.9
71.65724	1.2
73.03012	0.9
76.95281	0.7
83.05058	0.7
93.08040	0.7
109.03031	3.1
110.03360	1.4
111.03392	1.2
141.04582	6.3
149.04906	1.0
155.04932	1.0
156.05672	4.0
160.04951	1.0
183.06819	1.5
184.05167	25.9
185.03616	2.0
185.05351	0.8
187.04021	1.2
197.15463	0.7
200.04741	1.3
209.04761	1.4
219.13887	1.4
227.05737	100.0
228.04121	15.8
228.06068	2.8
243.02792	0.8
271.04675	44.1
271.08478	3.5
271.11279	2.9
271.19089	7.8
271.22263	1.6
272.05026	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	269.1758
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
54.32403	0.3
57.03446	3.9
59.01379	0.7
69.34892	1.5
69.35320	1.6
71.01392	0.7
71.05018	3.5
72.02162	2.1
73.02940	0.6
81.03455	0.3
83.05013	0.4
85.02945	1.9
85.06596	0.3
85.74249	0.3
87.04514	100.0
88.04842	1.1
95.04990	0.3
99.04523	4.9
101.06115	0.7
109.02935	1.9
113.86455	0.3
117.03459	0.4
121.10238	0.4
125.09698	0.9
137.09735	1.2
147.04556	0.4
150.38753	0.3
159.04533	0.4
160.33287	0.3
160.59253	0.3
176.36053	0.3
181.12318	0.3
189.16499	1.2
191.14407	0.3
207.17526	7.3
208.17871	0.6
209.15486	1.6
223.17032	0.7
251.16650	0.7
269.04538	1.9
269.08026	0.8
269.17575	45.1
270.04904	0.5
270.17883	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	269.1295
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
59.01384	0.6
61.98835	0.3
62.96406	0.4
63.02414	0.6
65.00327	1.0
67.25001	0.2
70.13155	0.3
71.01379	0.5
71.14481	0.6
73.02948	0.5
81.03457	0.3
83.01393	0.3
89.02417	0.4
92.05058	0.3
94.03020	0.3
105.03485	0.5
107.01377	1.2
109.02954	2.7
117.03463	5.6
119.92972	0.3
120.04564	1.3
121.02947	0.7
134.06166	0.4
135.04498	0.5
137.02444	0.4
147.04520	0.3
148.07735	0.3
149.02431	2.3
151.00372	2.9
159.04521	1.1
183.01097	0.3
183.04550	0.4
186.95595	0.7
197.02814	0.5
201.05655	0.4
208.92233	0.4
210.09262	0.9
211.08771	7.8
211.13145	0.4
212.09209	0.3
214.41032	0.3
225.05606	1.0
225.10309	10.4
226.10735	1.9
227.03444	0.6
239.08246	6.0
240.08910	0.4
241.13464	2.2
251.12044	0.4
253.09785	3.9
254.06125	1.0
254.10591	33.2
255.11003	2.1
269.04599	28.0
269.08133	2.5
269.12927	100.0
269.21210	3.6
269.24890	1.8
270.04874	1.8
270.13290	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	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	12.6
57.03451	7.2
58.00592	3.4
59.01382	55.6
60.41747	1.8
63.02400	4.9
65.00330	2.1
68.53539	1.9
71.01382	100.0
71.11236	4.3
72.99298	4.9
73.02940	42.2
83.01384	19.8
85.02952	55.6
87.00871	4.3
89.02454	3.3
90.34360	2.2
93.03448	2.5
95.01389	7.6
97.02950	2.6
99.00900	15.5
101.01766	4.4
101.02444	82.4
107.01368	2.7
109.02950	25.4
113.02444	42.6
117.03466	8.9
129.01952	2.2
135.04556	3.2
137.06071	5.4
143.03523	2.5
147.04536	4.7
159.02985	6.3
159.04503	7.3
161.02394	2.9
161.04564	29.9
200.90237	2.0
225.05493	2.4
254.05789	2.3
269.04529	70.4
269.08054	17.7
269.10522	2.4
269.13879	2.3
269.16748	2.6
270.04779	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
56.41152	0.4
57.03442	2.6
58.00587	1.0
59.01382	17.4
60.47948	0.4
63.02400	1.8
65.00328	3.2
68.34167	0.3
68.99821	0.4
69.99656	0.6
70.00062	1.4
71.01383	34.8
72.01726	0.5
72.99306	1.8
73.02950	14.0
75.00861	0.6
79.95757	0.4
81.03467	0.4
82.08316	0.4
83.01387	7.8
83.05000	0.4
85.02953	18.0
86.00109	0.5
86.03284	0.5
87.00876	1.6
89.02465	2.2
93.03440	1.1
93.30830	0.4
94.10448	0.3
95.01378	2.8
97.02968	1.2
99.00897	5.3
101.02448	27.2
102.02808	0.5
104.61749	0.3
105.03471	1.4
107.01397	6.4
107.05030	0.9
107.05724	0.3
108.02218	0.7
109.02955	17.4
110.03262	0.7
111.00809	0.4
113.02450	14.2
117.03465	22.3
118.03823	1.0
119.05038	1.7
121.02957	6.4
123.04507	1.0
125.02442	0.9
129.01930	0.9
129.03477	1.5
133.02933	0.7
135.04539	3.0
139.00482	0.3
143.03531	0.8
145.02950	2.4
146.03757	4.0
147.04527	15.9
148.04832	0.7
148.54387	0.3
149.02440	8.0
151.00378	9.5
158.03725	0.6
159.03008	2.8
159.04510	9.2
160.05023	0.5
161.02408	1.3
161.04550	9.2
161.05836	0.4
169.06554	0.7
180.05788	0.4
181.06657	1.8
183.04530	1.4
185.02415	0.5
197.06078	1.1
198.06625	0.5
201.05666	2.1
224.04831	0.6
225.05548	3.7
226.06512	0.4
227.03452	1.8
237.05537	0.7
241.05168	0.8
251.07225	0.6
252.08002	0.5
254.05888	0.9
268.07147	0.6
269.04559	100.0
269.08084	13.7
269.21170	1.5
269.24649	0.6
270.04883	8.7
270.08478	1.1
272.56656	0.4
274.31641	0.4
277.47162	0.4
278.78775	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	269.0819
Annotation	Bolusanthin III
Peak:m/z	Relative Intensity
58.95015	0.3
59.01377	1.3
63.02399	1.7
65.00333	3.4
71.01383	1.0
71.23737	0.9
73.02958	0.7
77.01700	0.3
79.95747	0.4
81.03468	0.7
83.01382	2.0
83.05030	0.4
85.02945	0.9
91.05534	0.8
93.03466	2.0
95.01282	0.4
95.05026	0.6
101.02458	1.1
101.03974	1.0
103.05565	0.5
105.03483	1.5
107.01395	6.3
108.02174	2.5
109.02955	64.7
110.03275	1.2
113.02471	0.7
115.05530	0.7
117.03468	23.6
118.03841	0.4
119.05029	7.3
121.02959	8.1
122.03736	1.6
123.04534	4.5
129.03464	6.3
130.04321	2.0
130.08704	0.6
131.05035	1.6
133.02953	1.7
135.04536	5.2
137.02399	0.6
145.02960	13.2
146.03743	25.3
147.04524	100.0
148.04868	3.8
149.02437	7.8
151.00371	8.9
155.03227	0.4
157.06558	0.4
158.03735	2.5
159.04515	45.7
160.04857	1.7
161.02426	3.3
161.06113	0.9
169.06573	0.5
172.05273	0.4
179.03563	0.9
180.05780	0.4
181.06595	1.8
183.04492	1.5
197.06100	1.3
198.06856	0.7
199.07661	1.0
201.05545	2.5
209.06123	0.6
211.07704	0.6
213.05643	0.5
213.09331	0.4
223.07645	1.0
224.04805	0.4
225.05615	3.7
226.06230	0.8
227.03506	2.2
233.05875	0.4
237.05603	0.9
241.05148	0.6
241.08662	0.6
250.06308	0.6
251.07195	2.6
252.07811	2.1
254.05876	2.0
255.06389	0.5
267.06696	1.0
268.07336	1.4
269.04584	90.2
269.08167	63.6
269.21191	1.5
269.24722	0.6
270.04910	7.2
270.08511	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	269.0818
Annotation	2',5'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
50.68259	0.1
53.30736	0.1
58.99403	0.1
59.01378	0.2
65.03960	0.2
69.77246	0.5
69.77656	0.2
71.01392	0.5
73.88895	0.1
81.03470	0.7
85.02962	0.2
91.01881	0.6
93.03455	0.3
100.38021	0.1
101.02455	0.2
103.05540	0.1
108.02180	3.1
109.02955	100.0
110.03295	2.4
111.29327	0.1
113.02425	0.1
115.05535	0.4
117.03459	0.2
119.05033	0.4
121.02931	0.6
122.03765	0.1
123.04535	1.3
129.03458	0.5
130.04251	0.5
131.05046	1.9
132.02177	0.1
133.02003	0.2
133.02960	2.6
135.04529	3.8
136.04707	0.1
145.02956	1.9
146.03755	1.3
147.04530	3.6
153.11955	0.1
158.03716	0.6
159.04520	21.7
160.05157	1.0
161.02464	0.2
161.06018	0.2
167.04814	0.1
172.05304	0.1
181.06624	0.2
183.04553	0.2
184.05240	0.1
185.06018	0.7
195.08191	0.2
196.05200	0.2
197.06079	0.8
198.05209	0.2
198.06874	1.5
199.07632	1.1
205.06583	0.2
206.07404	0.1
208.05264	0.3
209.06030	0.6
210.06804	0.2
211.04094	0.2
211.07643	0.4
212.04865	0.3
213.05464	0.1
213.09256	0.3
221.06071	0.3
222.06940	0.5
223.07631	1.2
224.04710	0.3
225.05576	1.3
226.06290	0.9
227.03470	0.2
227.07123	0.6
233.06152	0.3
234.06818	0.1
235.07631	0.1
236.04745	0.4
237.05551	3.3
238.06026	0.3
239.07162	0.6
240.04321	0.2
240.07748	0.2
241.05026	0.2
241.08583	0.5
249.05511	0.2
250.06355	0.7
251.07120	3.0
252.07880	1.3
253.05067	4.3
254.05830	7.9
255.06206	0.5
266.05832	0.6
267.06619	2.8
268.07333	1.0
269.08182	55.9
270.05591	0.2
270.08493	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	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
62.29890	0.1
63.02402	1.7
64.99981	0.2
65.00323	3.6
66.37586	0.1
69.87648	0.6
69.88054	0.2
79.01894	0.2
81.03477	0.2
83.01383	1.6
93.03466	0.5
98.19928	0.2
105.03458	1.3
107.01395	6.2
109.02969	0.3
117.03463	25.1
118.03786	0.8
121.02949	1.8
139.03999	0.3
141.03429	0.2
148.01607	0.2
149.02438	8.7
150.02783	0.3
151.00372	10.9
152.00720	0.4
155.05066	0.2
157.06593	0.3
159.04530	1.9
169.01439	0.2
169.06564	0.5
180.05814	0.6
181.06580	1.4
183.04495	1.7
184.04872	0.2
185.02451	0.6
196.05220	0.3
197.06131	0.7
199.03885	0.2
201.05594	1.9
202.05838	0.2
209.02324	0.2
213.05487	0.2
224.04814	0.5
225.03397	0.2
225.05569	4.2
226.05899	0.3
227.03484	2.1
241.05037	0.4
269.04535	100.0
270.04886	6.7
270.07849	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	269.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03437	0.6
59.01381	4.5
61.20313	0.3
61.93888	0.3
62.44107	0.3
63.02405	1.9
65.00318	4.0
70.86816	0.3
70.94680	0.7
71.01385	7.7
73.02943	3.0
76.49266	0.3
79.95765	0.4
81.03439	0.4
83.01389	3.8
85.02953	4.0
89.02451	0.3
91.05528	0.5
93.03446	0.9
95.01389	0.7
97.02960	0.4
99.00880	1.1
101.02451	5.8
101.03969	0.5
103.05589	0.3
105.03468	1.2
107.01405	7.0
108.02187	1.0
109.02956	26.9
110.03291	0.7
110.05771	0.3
113.02453	3.6
117.03466	24.0
118.03799	0.6
119.05018	2.8
121.02944	4.5
123.04526	2.2
125.02471	0.4
129.03450	3.4
130.04243	1.3
131.05075	0.5
133.02931	0.5
135.04535	1.6
143.03462	0.5
145.02948	5.4
146.03740	10.6
147.04518	44.4
148.04828	1.3
149.02435	8.7
150.02788	0.5
151.00371	10.5
158.03708	1.4
159.04515	20.6
160.04903	1.1
161.02434	1.0
161.04561	2.1
161.06004	0.5
169.06517	0.4
180.05775	0.6
181.06609	1.7
183.04510	1.5
197.06053	0.9
201.05606	1.6
223.07515	0.4
224.04851	0.4
225.05574	4.0
226.06097	0.3
227.03459	1.9
237.05554	0.4
240.07970	0.3
241.04881	0.5
241.08823	0.4
251.07117	1.0
252.07883	1.0
253.04926	0.3
254.05815	0.5
267.06522	0.4
268.07339	0.8
269.04584	100.0
269.08148	26.6
269.21170	0.6
270.04919	6.2
270.08478	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	269.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
63.02401	5.5
65.00323	3.0
70.93756	0.4
83.01398	0.9
87.04494	0.1
93.03459	1.2
105.03442	0.5
107.01392	4.4
109.02959	4.1
117.03467	12.3
118.03805	0.4
119.05022	0.4
121.02977	0.8
123.04500	0.5
132.02116	0.1
133.02965	0.3
135.04521	1.8
145.03001	0.3
147.00911	0.2
147.04498	0.7
148.01645	0.3
149.02438	2.7
151.00365	2.9
152.00740	0.2
153.05536	0.2
155.05064	0.5
157.06561	0.5
159.04521	5.3
160.04866	0.3
161.02454	2.2
167.04962	0.2
169.06596	1.0
171.04536	0.4
173.06000	0.3
179.03424	0.1
180.05820	0.6
181.06583	1.1
182.03723	0.4
183.04507	1.4
194.78891	0.1
195.04523	0.4
196.05305	0.5
197.02298	0.2
197.06053	1.2
198.06519	0.1
199.03967	0.4
201.01784	0.2
201.05557	1.2
203.03554	0.2
213.05644	0.2
224.04803	0.6
225.05554	2.5
226.05946	0.2
227.03482	1.2
241.05061	0.4
254.05788	0.2
255.51431	0.2
268.03751	0.3
269.04541	100.0
270.04889	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	269.0451
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.18878	0.1
50.40255	0.1
63.02067	0.3
63.02399	5.3
65.00322	3.1
69.13261	0.1
79.01907	0.2
81.03479	0.2
83.01389	0.8
89.00334	0.3
90.83919	0.1
93.03454	0.7
104.48956	0.1
105.03471	0.7
107.00683	0.2
107.01390	4.5
109.02951	2.7
112.77620	0.1
117.03465	12.7
118.03801	0.4
121.02967	0.7
131.04895	0.1
132.02162	0.1
133.03001	0.2
135.04515	1.0
141.03444	0.2
145.02980	0.2
147.00885	0.2
147.04474	0.3
149.02438	3.1
150.99144	0.2
151.00368	3.4
152.00664	0.2
155.05022	0.4
157.06638	0.3
158.03694	0.3
159.04510	4.6
160.04881	0.2
161.02438	1.7
167.10023	0.1
169.06616	0.9
171.04526	0.3
173.05971	0.2
180.05807	0.6
181.06596	1.1
182.03746	0.3
183.04477	1.7
184.04793	0.1
185.02449	0.2
195.04500	0.2
196.05180	0.6
197.06084	1.2
199.03981	0.4
201.05605	1.0
210.03281	0.2
213.05586	0.3
224.04729	0.8
225.05550	2.7
226.05864	0.2
227.03543	0.9
229.35461	0.2
240.04211	0.1
241.05011	0.4
254.05847	0.2
268.03815	0.3
269.04538	100.0
270.04880	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	267.1966
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
57.03455	1.4
59.01375	5.6
59.85150	1.3
68.56536	1.2
71.01388	3.3
76.68595	1.2
78.73199	1.1
78.82053	1.3
85.02966	2.5
89.02457	2.2
97.06629	2.8
98.19814	3.5
99.08152	3.3
101.02426	3.3
109.02946	3.1
109.54581	1.2
121.02941	1.6
125.06089	2.1
131.56256	1.3
137.02417	1.6
143.07144	34.8
161.04558	1.9
190.67917	1.3
195.13866	2.4
209.04578	2.0
223.16862	1.7
223.20589	2.2
249.18549	6.6
267.06656	9.8
267.16119	4.7
267.19644	100.0
268.07092	1.5
268.20001	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	267.2329
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
52.80375	0.4
54.96409	0.5
67.03719	0.4
70.10655	1.8
71.01398	0.8
90.43956	0.5
92.48113	0.5
96.96069	0.7
98.95583	2.0
192.38947	0.5
267.14554	1.4
267.23285	100.0
268.23608	8.6
285.61569	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	267.1601
Annotation	Elongatol D
Peak:m/z	Relative Intensity
54.49432	1.3
55.01859	2.8
57.03458	3.4
59.01373	6.0
68.94822	1.3
69.03448	4.9
71.01389	1.5
71.05020	10.1
71.64536	1.9
81.03459	64.6
81.88978	1.3
83.05050	7.4
84.02179	9.5
85.03010	1.3
85.06593	11.9
88.84097	1.5
95.05015	1.8
99.04525	64.9
109.02946	7.5
115.61362	1.3
119.08665	19.2
123.08165	1.8
125.09731	3.6
129.87347	1.3
133.10229	4.7
135.11819	12.3
137.09724	4.5
145.02998	2.2
151.11327	3.2
153.12808	1.6
159.04610	1.6
163.14975	2.8
167.10759	9.1
175.14905	20.0
177.12804	2.3
187.14923	31.6
188.15254	1.8
189.12907	2.3
193.15900	5.8
203.14468	8.1
205.15958	9.7
211.07536	2.5
212.54054	1.6
224.04663	1.5
239.07115	4.8
249.05469	1.6
250.06265	1.9
255.86176	1.7
265.04883	1.5
266.05847	2.2
267.06604	39.0
267.16016	100.0
268.06976	4.5
268.16223	7.0
282.57010	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	267.1602
Annotation	Gallicynoic acid B
Peak:m/z	Relative Intensity
55.37492	1.3
57.03452	11.2
58.02964	1.8
59.01128	1.6
59.01377	18.9
67.46726	1.5
69.03466	2.5
69.77126	1.7
69.77414	8.6
71.01356	3.5
71.05007	3.4
73.02952	2.1
83.05025	12.6
83.57764	1.3
85.02941	1.7
85.06563	2.1
93.03435	1.7
95.05032	1.8
96.96004	4.0
97.06585	1.5
99.04522	12.8
101.02427	1.5
107.05011	2.3
108.02142	1.6
109.02953	23.2
109.06532	1.6
119.08667	39.7
120.08984	1.7
121.02937	2.7
121.06596	3.4
123.04512	3.0
123.08135	2.9
131.08614	1.5
133.02968	3.5
135.04497	1.8
135.08087	2.1
137.08730	2.2
137.09727	28.6
138.10104	1.7
145.02911	5.0
149.09715	4.9
150.66248	1.3
159.04503	7.8
161.02405	5.1
163.07658	2.2
165.09091	1.6
167.04973	1.3
167.10815	2.4
169.06497	2.2
174.03221	2.1
175.14914	13.6
181.08740	16.9
183.04617	2.2
183.08170	2.3
187.13393	2.1
187.14911	25.5
188.15143	1.6
189.58717	1.3
192.99655	8.8
193.05006	6.9
193.06586	4.8
193.15936	2.1
193.22290	1.4
196.05257	12.8
197.06047	12.3
204.15178	1.3
205.15974	7.0
209.06107	8.8
211.07632	24.7
220.05144	2.0
221.06099	10.7
221.15511	1.6
222.06761	6.0
223.07697	3.0
223.13353	10.2
224.04752	8.6
225.05547	7.0
237.05606	5.6
238.06476	6.6
239.07159	29.2
240.07774	2.5
249.05559	8.9
249.14923	5.6
249.66034	1.3
250.06332	14.1
265.04993	5.9
266.05685	8.6
267.03333	14.8
267.06567	100.0
267.11356	3.6
267.16000	90.8
268.03745	4.9
268.06921	7.7
268.16272	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	267.1599
Annotation	Canusesnol B
Peak:m/z	Relative Intensity
57.03444	2.0
59.01137	0.7
59.01383	8.1
59.98510	0.8
68.32602	0.8
69.03473	2.2
69.93385	4.3
71.01382	4.5
71.05015	10.6
75.00866	3.0
81.03455	26.7
83.05021	7.6
84.02164	5.8
85.02964	1.0
85.06596	11.4
87.00843	1.1
87.04482	1.2
87.48664	0.8
89.02438	3.9
96.95972	0.8
99.04516	55.2
100.04860	1.2
109.02956	10.2
110.03297	1.0
113.02402	2.0
117.01920	1.1
121.02974	1.0
122.03738	2.5
137.09712	1.8
151.11325	1.1
152.34044	0.9
153.12779	1.9
159.04512	1.1
167.10767	55.8
168.11108	3.0
187.14864	1.0
205.15947	1.5
207.09995	0.9
209.06152	1.2
211.07643	1.7
222.06940	1.4
223.13397	0.9
237.05534	1.5
238.06351	1.0
239.07169	3.8
249.05519	2.9
249.14929	2.6
250.06279	4.1
266.05798	1.9
267.03195	1.3
267.06686	36.0
267.15994	100.0
268.06992	2.9
268.09680	1.4
268.16409	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	267.1601
Annotation	Elongatol D
Peak:m/z	Relative Intensity
54.02057	0.3
56.53812	0.3
57.03448	1.3
59.01376	0.9
59.06421	0.3
71.01368	0.9
71.05025	1.3
71.62276	0.4
72.99312	0.3
75.00876	0.3
81.03465	0.7
83.05000	0.5
85.02954	2.1
87.00891	0.6
95.04989	0.3
95.48294	0.3
97.02942	0.5
98.03741	3.9
99.04527	1.1
109.02940	1.9
109.06590	0.3
113.02447	1.2
121.02976	0.8
121.06565	0.5
127.07646	0.3
129.01953	2.4
135.04533	0.9
135.08167	0.8
135.11804	1.1
137.09723	1.7
143.10768	0.4
143.32043	0.3
145.02913	0.7
151.11354	0.4
159.04567	0.3
161.02460	0.4
163.11253	0.3
176.04814	0.3
187.11205	1.6
190.09904	0.3
201.12926	0.3
203.14406	8.6
204.14789	0.4
205.12341	3.0
205.15956	1.1
207.13892	1.0
209.04596	0.6
211.07588	0.6
219.13910	0.3
221.06104	0.4
221.15462	5.7
222.15842	0.4
224.04704	0.3
233.72629	0.3
237.05441	0.4
239.07072	0.9
249.05605	0.7
249.14961	0.4
250.06297	1.1
262.25696	0.3
265.05005	0.4
266.05975	0.6
267.06699	8.8
267.16013	100.0
268.07202	0.9
268.16339	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	267.0723
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01890	1.1
57.03447	2.9
58.00600	0.8
59.01382	17.8
70.99058	2.3
71.00986	1.8
71.01381	25.2
71.50603	0.7
72.99311	3.9
73.02937	0.8
75.00875	12.0
78.61005	0.8
83.01412	1.2
85.02433	1.3
85.02950	26.8
86.14602	0.9
87.00885	11.3
89.02444	6.8
91.04008	0.9
95.01391	3.6
99.00878	6.7
99.51785	0.8
101.02442	1.1
103.00378	2.0
112.01656	0.9
113.02450	34.0
115.00414	1.2
117.01919	2.7
128.89218	4.6
129.01967	2.1
130.88930	61.4
131.03488	1.0
131.89011	5.8
132.88651	70.1
133.88702	3.6
144.86978	9.8
146.86679	100.0
146.95218	1.0
148.86368	73.0
154.90636	5.1
156.90309	3.7
161.13039	0.9
170.91385	1.3
175.02492	1.3
190.80574	0.9
207.05034	1.5
248.84584	1.3
249.06154	3.9
266.80331	6.2
266.83121	11.3
267.07193	78.1
267.83450	0.9
268.07510	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	267.0722
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01871	1.2
57.03447	4.3
58.00583	1.1
59.01381	27.1
62.83263	0.7
70.57458	1.6
70.57834	1.8
71.01384	37.2
72.01691	0.8
72.99304	6.5
73.02946	2.1
75.00874	16.0
83.01382	1.6
84.02181	0.7
85.02953	31.5
86.03273	0.9
86.24910	0.7
87.00880	17.6
89.02445	10.4
91.03999	1.6
95.01390	6.4
99.00883	9.1
101.02462	4.3
103.00362	3.1
103.92029	1.7
105.01950	2.0
113.02455	45.5
114.02769	0.9
115.00359	1.2
117.01961	3.2
119.03534	1.1
122.89455	1.1
129.01941	2.1
129.44223	0.7
135.03093	1.0
142.97618	1.0
148.90965	1.9
149.46498	0.8
149.47702	0.7
175.02454	2.3
190.94298	1.8
205.07143	0.8
207.05092	1.8
231.03912	3.5
237.06042	0.9
249.06050	4.9
267.07202	100.0
267.94492	0.8
268.07559	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	267.0661
Annotation	Isopratol
Peak:m/z	Relative Intensity
59.01371	0.6
69.17477	0.3
71.01360	0.3
71.63098	0.5
81.03448	0.3
93.03454	0.9
108.02168	0.9
109.02951	15.6
117.03456	1.1
120.18427	0.3
121.02968	2.4
130.04218	0.6
131.05003	0.7
133.02943	0.5
135.04489	0.4
145.02963	4.0
146.03659	0.4
154.04150	0.3
158.03699	1.5
159.04503	5.2
161.02377	0.6
165.07091	1.0
167.04976	0.5
168.05785	0.4
169.06592	0.4
175.05466	0.3
181.06627	0.4
183.04524	1.9
183.08130	1.8
193.06584	5.0
194.07199	0.5
195.04541	0.9
195.08121	0.5
196.05258	3.3
197.06052	3.6
198.06557	0.3
199.04124	0.3
199.07614	0.5
203.04948	0.4
204.05794	0.6
205.06490	0.4
206.07260	0.4
209.06058	5.5
210.06885	1.5
211.04160	0.4
211.07639	9.0
212.07942	0.7
219.04376	0.6
220.05203	1.8
221.06068	5.7
222.06810	5.3
223.03998	0.5
223.07588	1.7
224.04694	2.1
225.05438	0.6
232.05269	0.6
233.06024	0.3
237.05553	5.7
238.06306	5.7
239.07103	10.6
240.07471	0.8
247.03894	0.4
248.04730	2.1
249.02968	0.5
249.05537	7.3
250.06319	16.5
251.06679	0.8
253.05107	0.4
265.05054	4.1
266.05807	10.3
267.06589	100.0
268.06961	8.7
288.98291	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	267.0662
Annotation	Isoformononetin
Peak:m/z	Relative Intensity
54.24676	0.3
54.38948	0.3
55.17677	0.3
64.72295	0.3
65.03944	0.5
69.51380	2.2
76.04928	0.3
93.03453	1.1
98.37998	0.3
103.23419	0.3
108.02177	1.1
109.02954	14.4
110.03326	0.3
114.97742	0.3
117.03444	1.1
121.02970	2.9
130.04262	0.7
131.05023	0.4
133.02950	0.9
134.93912	0.3
137.02481	0.3
141.85773	0.3
145.02945	4.1
146.03688	0.5
153.27452	0.3
155.08682	0.4
158.03717	1.9
159.04515	6.1
165.07127	1.0
169.06596	0.6
180.05849	0.4
181.06558	0.9
183.04588	1.4
183.08130	2.3
185.06093	0.3
193.06589	5.0
194.07253	0.7
195.04462	1.2
195.08159	0.3
196.05270	3.5
197.06085	3.8
199.04021	0.3
199.07669	0.3
204.05750	1.1
209.06062	6.9
210.06819	1.7
211.07637	10.0
212.08072	0.4
213.05482	0.6
219.04599	0.6
220.05212	1.9
221.03864	0.3
221.06065	7.2
222.06845	5.1
223.04097	0.3
223.07535	1.1
224.04779	2.8
225.05557	0.8
232.05252	0.6
233.06178	0.4
237.05566	5.6
238.06351	6.0
239.07123	11.4
240.07443	0.7
240.24303	0.3
248.04712	1.8
249.05573	6.1
250.06339	17.1
251.06671	0.9
253.04945	0.4
265.05066	4.0
266.05829	10.6
266.08701	0.5
267.06613	100.0
268.06955	7.0
270.38705	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	267.0662
Annotation	Isopratol
Peak:m/z	Relative Intensity
59.01383	1.3
64.17586	0.2
69.17577	0.1
71.01379	0.3
81.03421	0.2
85.02949	0.9
87.28215	0.1
93.03455	0.4
96.35941	0.1
98.20626	0.3
99.04499	0.2
108.02175	0.4
109.02201	0.3
109.02954	5.3
117.03455	0.4
121.02988	1.0
130.04196	0.2
131.05055	0.3
135.04538	0.2
137.04324	0.2
145.02954	1.5
146.03720	0.3
158.03728	0.4
159.04514	2.8
161.02402	0.3
165.07085	1.0
165.58626	0.1
167.05029	0.2
169.06615	0.4
177.07057	0.2
180.05826	0.2
181.06583	0.5
183.04552	1.0
183.08141	1.2
192.05766	0.2
193.06573	3.3
194.07152	0.4
195.04471	0.5
195.08241	0.2
196.05273	2.0
197.06062	2.4
199.07689	0.2
203.04994	0.2
204.05756	0.6
205.06444	0.4
206.07368	0.2
209.06099	2.7
210.06786	0.8
211.04251	0.2
211.07649	4.9
212.07964	0.3
215.14470	0.2
220.05286	1.6
221.06062	3.2
222.06815	2.6
223.07545	0.8
223.13365	0.5
223.17055	0.6
224.04802	1.5
225.05521	0.4
228.04453	0.2
229.14571	0.2
232.05292	0.3
237.05568	2.6
238.06339	3.1
239.07109	5.8
240.07425	0.4
247.04060	0.2
248.04732	1.4
248.91936	0.2
249.05534	3.4
250.06314	7.3
251.06650	0.3
264.04211	0.2
265.05038	3.8
266.05811	5.7
267.06598	100.0
267.15887	1.9
268.06943	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	267.066
Annotation	Isopratol
Peak:m/z	Relative Intensity
53.14691	0.3
59.01366	0.5
66.08707	0.3
69.34157	2.2
69.34562	0.7
70.78788	0.3
71.01357	0.4
73.17471	0.3
74.56954	0.2
81.24781	0.3
93.03465	0.7
108.02182	0.7
109.02952	20.3
110.03265	0.4
117.03486	1.4
121.02966	3.5
130.04233	0.5
133.02979	0.5
145.02945	4.8
146.03712	0.5
147.04559	0.4
158.03696	2.0
159.04510	4.4
161.02412	0.3
165.07129	0.7
168.05775	0.3
169.06586	0.7
181.06552	0.3
183.04460	1.2
183.08147	1.9
193.05000	0.5
193.06581	4.3
195.04405	0.8
195.08253	0.5
196.05281	2.6
197.06075	3.7
199.07628	0.6
204.05716	0.4
206.07324	0.3
209.06036	4.2
210.06828	1.8
211.04256	0.3
211.07626	7.6
212.07932	0.5
220.05257	1.6
221.06064	5.7
222.06841	4.1
223.04060	0.5
223.07532	1.4
224.04733	2.5
225.05560	0.9
232.05415	0.6
233.06039	0.4
236.04764	0.3
237.05547	5.2
237.07777	0.4
238.06308	4.8
239.07132	8.9
240.07439	0.5
247.04001	0.3
248.04753	1.5
249.05562	7.8
250.06343	15.7
251.06763	0.9
265.05048	3.2
266.05826	9.1
267.06610	100.0
268.06949	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	267.0661
Annotation	Isoformononetin
Peak:m/z	Relative Intensity
59.01369	1.1
60.91586	0.5
72.99309	2.1
93.03455	5.9
95.05048	0.7
98.20639	1.4
103.12653	0.6
108.02180	2.2
109.02954	100.0
110.03289	2.6
117.03463	3.2
121.02953	7.7
123.04529	1.4
133.02962	1.2
135.04518	4.3
145.02957	9.0
146.03773	3.1
147.04578	1.0
158.03749	3.8
159.04471	4.5
161.02489	1.0
169.06595	1.8
174.03212	0.7
179.01782	0.6
179.03468	1.7
183.08148	1.9
183.88960	0.6
193.06557	4.9
194.07019	0.7
195.04433	0.6
195.08156	1.4
196.05345	2.1
197.04538	1.3
197.06094	3.7
199.07727	1.0
209.06104	4.3
210.06752	1.6
211.04245	0.8
211.07623	10.1
220.05243	2.0
221.06096	7.9
222.06856	7.0
223.07542	3.0
224.04803	1.9
225.05515	1.1
229.01381	1.0
229.34027	0.8
237.05548	5.4
238.06381	4.0
239.07137	22.9
240.07448	1.2
247.90042	0.6
249.05542	7.4
250.06345	18.4
251.06654	1.4
265.05017	2.5
266.05792	7.7
267.06613	98.6
268.06952	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	267.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30844	0.4
57.03460	0.4
59.01379	5.5
61.09453	0.4
66.10131	0.4
69.38319	1.4
69.38741	2.5
71.01378	2.0
72.99308	0.9
75.00871	0.8
83.01373	0.4
85.02952	1.4
87.00881	10.4
89.02442	0.6
91.05534	5.3
95.01414	0.7
98.19817	0.8
99.00868	0.5
101.02422	0.6
103.00385	1.5
105.01958	0.4
108.02219	0.5
109.02966	3.7
112.98810	4.2
113.02460	2.4
119.04973	0.5
121.02991	0.7
123.04507	0.6
130.85420	0.4
135.04526	100.0
136.04874	3.5
145.02954	1.1
157.52980	0.4
164.41176	0.5
165.07347	0.5
194.02898	0.4
195.08276	0.4
211.07681	0.9
221.06036	0.9
222.06789	0.6
224.04655	0.7
230.86807	0.4
238.06306	0.6
239.03459	0.5
239.07111	1.5
249.05653	0.9
250.06256	1.1
266.05725	1.2
267.06818	13.8
267.12497	1.0
267.16043	1.2
268.07050	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	266.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25786	0.2
58.02976	94.7
59.01371	0.2
59.03318	0.9
71.65167	0.3
76.02260	0.7
76.94791	0.2
86.15260	0.2
87.81243	0.2
104.97330	0.2
109.02946	0.5
109.60265	0.2
118.03329	100.0
119.03716	1.6
147.04524	8.3
148.04828	0.3
211.07454	0.3
231.09143	0.2
239.06992	0.2
247.48270	0.2
249.05527	0.2
266.05890	0.5
266.08582	0.9
267.06516	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	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	34.0
59.41829	1.9
65.72867	1.8
67.58802	1.7
68.30177	1.8
70.00985	5.1
70.01382	3.4
71.01391	5.9
72.99306	12.8
75.00873	1.9
75.79214	1.9
77.50256	1.8
78.02593	2.3
78.95905	7.3
85.02963	5.1
87.00369	3.5
87.00878	45.6
88.06248	2.1
89.02461	2.8
91.05531	59.5
96.96034	4.5
96.96967	22.9
98.20521	2.2
103.00374	18.6
105.01916	10.8
109.02976	3.2
112.98817	26.7
113.02464	7.6
121.02968	2.1
130.99913	3.9
135.04529	100.0
136.04845	3.2
147.83453	2.0
149.00919	97.4
211.07594	1.8
238.06493	2.4
267.06860	32.1
267.09406	1.8
267.12265	1.8
267.16046	3.4
268.07214	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	265.2172
Annotation	Hydroprene
Peak:m/z	Relative Intensity
59.01369	0.8
71.14130	0.5
79.95734	0.7
85.30297	0.4
96.96011	20.7
247.20714	0.7
265.14841	15.2
265.21710	100.0
266.15121	0.8
266.22040	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	265.1808
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
50.45292	0.3
57.03449	18.6
59.01381	2.0
60.94022	0.3
61.29659	0.3
65.89415	0.4
69.03460	1.0
69.42761	2.8
71.01380	5.8
96.96006	0.5
139.07570	0.5
193.15991	1.3
195.13962	1.0
221.19110	6.4
222.19240	0.6
265.18088	100.0
266.18420	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	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
50.77147	1.1
57.03436	2.9
59.01383	14.7
71.01385	2.2
71.65652	1.0
72.47502	1.0
74.59859	1.2
80.25813	1.4
83.05043	3.4
93.03430	1.4
96.96015	4.9
101.02422	1.2
101.27693	1.0
120.82445	1.1
149.02386	1.2
149.13350	2.7
177.16437	3.0
195.13850	1.2
202.51877	1.1
203.14476	2.3
203.18066	6.7
215.39268	1.3
219.13873	1.4
221.15459	75.5
222.06046	1.0
222.13931	1.4
222.15729	5.8
223.09607	1.0
223.16859	1.3
247.17027	52.1
248.17343	4.6
260.53674	1.2
265.05002	2.4
265.14807	6.8
265.18069	100.0
266.18408	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	265.1808
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
56.16176	1.5
57.03448	17.5
57.10331	1.5
59.01372	5.9
61.98866	1.4
69.36449	12.3
71.01376	6.7
78.95893	3.7
80.16037	1.4
87.45337	1.5
96.96021	13.2
98.19920	3.4
101.74445	1.5
108.66640	1.5
108.94462	1.5
133.54651	1.7
142.87442	1.4
143.07152	1.9
149.02444	1.8
163.03995	3.6
178.06375	1.6
221.19131	4.3
247.16872	1.5
265.14746	12.1
265.18066	100.0
266.18484	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	265.1806
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
57.03428	1.8
58.42529	1.3
59.01388	8.8
65.53318	1.3
69.03439	2.1
71.01388	3.1
71.65933	2.6
79.00637	1.4
91.66814	1.3
96.96020	7.0
97.06593	1.6
121.10227	3.3
137.06114	1.4
143.07144	3.2
146.12587	1.2
146.45836	1.3
149.09732	2.6
149.13414	1.6
151.07668	1.5
151.11295	2.6
155.07086	2.3
163.03996	2.0
167.10770	37.2
168.11095	2.4
177.05621	1.4
195.10197	8.3
203.17978	3.5
247.16994	15.2
265.04950	2.4
265.14670	9.8
265.18057	100.0
266.18387	9.4
277.81790	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	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
51.48956	2.0
57.03442	4.1
59.01374	18.3
60.55148	2.3
68.50675	2.1
69.35151	13.2
69.35559	6.3
71.01397	4.6
73.27266	2.1
73.93438	2.0
78.95871	2.4
83.05046	3.1
85.02943	4.1
96.95996	8.9
105.82291	2.0
133.10239	2.2
148.68437	2.4
149.13329	4.2
165.19873	2.5
180.65924	2.2
203.18050	9.1
221.15456	78.2
222.15746	7.0
247.17043	49.4
248.17354	5.8
265.04950	5.3
265.14670	14.1
265.18066	100.0
265.38068	2.7
266.18414	7.2
283.64429	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
58.00589	3.4
59.01381	100.0
60.01694	0.9
67.57516	1.0
68.99570	1.7
71.01386	57.8
71.60972	1.5
72.99310	4.1
73.02948	2.1
75.84348	0.9
83.01395	2.6
85.02958	11.4
87.00900	1.9
89.02451	67.5
95.01397	4.4
95.54557	0.9
99.00911	1.4
99.47642	0.9
101.02447	34.7
103.04011	6.7
112.98559	2.4
113.02451	23.0
119.03505	30.0
125.22417	1.0
127.91535	0.9
130.08694	1.0
131.03511	2.4
143.03477	3.4
146.70711	0.9
149.04613	1.4
154.30130	1.1
161.04543	3.2
179.05653	2.5
265.09290	27.1
266.09894	1.3
275.71008	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54272	0.7
55.01860	1.2
57.03442	2.5
58.00598	4.4
59.01380	100.0
60.01700	1.3
69.57030	0.8
71.01382	56.1
71.64721	1.5
72.01716	0.8
72.99297	4.0
73.02951	1.9
74.08691	0.7
74.86724	0.9
75.00904	0.9
80.96511	1.2
83.01379	3.1
85.02952	23.6
87.00868	3.5
89.02448	66.6
90.02759	0.9
92.92788	2.8
92.95972	1.2
95.01409	4.0
99.00830	1.1
99.04542	1.3
101.02439	33.4
103.04010	17.7
107.12883	0.7
111.33826	0.9
112.89655	1.4
113.02451	23.9
119.03502	28.1
131.03487	2.4
138.01956	1.2
143.03470	2.8
148.94934	2.1
149.04552	2.0
149.05989	0.8
161.04568	3.2
179.05588	2.9
190.94389	1.4
190.95972	2.5
191.05542	1.3
216.50198	0.8
265.09274	71.3
266.09586	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	263.1288
Annotation	Mansonone Q
Peak:m/z	Relative Intensity
50.16941	0.3
55.01906	0.3
59.00220	0.3
59.01392	1.4
70.76177	0.6
71.01359	0.3
73.81741	0.3
93.03452	0.6
96.95999	0.3
97.02924	0.3
106.04272	0.4
111.00887	0.5
121.02950	1.3
133.02962	16.7
134.03760	10.2
135.04532	26.1
136.04831	0.8
137.01408	0.5
137.02449	7.9
139.04010	2.9
148.05215	0.3
149.02434	0.6
150.03220	0.8
161.02448	29.1
162.02858	1.2
165.19725	0.3
173.71445	0.3
178.02736	2.3
179.03500	10.9
180.03862	0.5
224.65706	0.3
245.11847	0.3
263.12881	100.0
264.13226	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.88283	0.4
59.01386	2.8
70.37444	1.1
71.01376	0.6
82.33253	0.4
88.27773	0.4
89.09129	0.4
98.19917	0.4
108.30607	0.4
152.75479	0.4
163.00281	0.6
191.17874	0.4
215.90120	0.5
219.21184	0.6
261.18573	0.6
261.59006	0.4
263.20163	100.0
264.20499	8.5
276.60876	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	264.0876
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
52.01888	1.0
59.01371	2.2
61.23117	0.6
62.06288	0.6
71.01407	0.9
71.34024	1.3
72.04550	20.5
76.10029	0.7
82.02987	100.0
83.03356	1.3
98.02479	35.2
100.04050	39.7
119.05029	38.7
120.05327	1.3
120.32356	0.7
178.05138	0.7
187.90836	0.7
192.10275	6.7
218.08202	9.7
219.08524	1.0
220.09778	19.5
258.67050	0.8
264.08762	56.9
265.05023	1.9
265.09076	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11090	1.1
59.01383	100.0
60.01683	1.4
62.08349	1.0
62.31348	0.9
70.88616	2.4
71.01377	3.6
72.99278	1.0
73.02928	2.0
79.95750	1.2
80.96505	1.6
84.04514	1.1
85.02969	1.8
87.00900	1.3
89.02466	1.1
95.61288	1.0
101.02434	1.7
113.02459	1.3
119.24139	1.3
121.02942	2.0
127.08711	1.3
131.07161	9.7
136.01649	3.1
155.16110	0.9
193.85899	0.9
221.08363	1.2
263.03470	1.3
263.05835	1.4
263.09613	1.3
263.14771	2.0
263.88638	2.4
264.08609	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	263.1287
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
57.03443	3.6
59.01379	15.2
65.74660	1.6
71.01389	13.2
71.64889	2.1
71.65276	2.5
73.02966	3.6
83.01408	2.3
83.05022	4.1
85.02957	4.9
95.05039	3.1
97.02948	12.7
101.02457	6.8
107.05022	3.8
108.05846	9.0
109.02951	9.9
109.06614	4.2
111.04516	15.3
111.08137	3.0
113.02454	3.1
113.06097	13.1
113.28501	1.5
115.05132	1.9
119.08633	8.1
121.06571	2.8
122.03751	19.0
123.04507	2.0
123.08198	8.6
125.06100	21.1
126.55023	1.6
135.08167	2.3
136.05316	23.2
137.06084	7.6
137.09752	2.6
138.06860	20.3
139.04080	1.7
139.07658	42.9
145.02933	2.2
148.05276	10.7
149.06064	4.5
151.07654	77.6
152.04782	8.9
152.08438	44.2
153.09216	13.5
159.11781	5.0
161.04579	2.9
161.09740	9.9
163.07634	16.4
165.01947	2.3
167.07117	4.7
182.08023	1.7
182.33890	1.8
183.01852	1.8
185.09731	3.0
186.10486	2.8
188.08353	2.2
189.09230	7.6
201.12843	32.6
202.13200	2.0
203.10776	29.8
204.11545	73.2
205.11906	5.8
219.13898	100.0
220.14229	7.3
248.10524	2.6
263.12790	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.4
59.01382	9.7
70.89404	1.0
72.99308	1.0
75.00873	11.0
84.99316	0.6
87.00876	6.5
95.81178	0.5
103.00365	5.0
112.98812	8.8
130.99861	0.9
131.07143	100.0
132.07475	3.0
151.79813	0.4
184.56230	0.4
263.07684	1.7
263.15063	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	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.2
57.03450	3.8
58.00583	4.2
59.01380	100.0
60.21082	0.9
66.29020	0.8
69.56204	0.7
71.01385	84.3
71.36045	1.6
72.01730	1.5
72.99312	5.8
73.02951	14.7
75.00911	1.0
83.01385	10.0
85.02955	26.2
87.00860	4.4
89.02449	56.7
95.01392	6.0
97.02948	1.3
99.00863	7.0
99.08134	1.4
101.02447	54.1
105.80227	0.8
107.92593	0.8
111.00883	1.1
113.02454	33.3
114.02779	1.0
119.03501	16.4
125.02443	1.7
129.09203	1.9
131.03535	1.5
135.04555	1.4
143.03529	1.3
149.06027	0.8
157.02971	1.0
159.03015	4.1
161.04547	14.1
175.14735	0.8
179.03647	0.8
183.09341	0.9
187.09769	1.7
201.11334	1.3
261.10986	1.5
261.13455	19.8
261.22256	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	261.113
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
54.56910	0.5
61.47012	0.5
70.38826	0.9
70.39191	1.6
71.01354	0.6
73.09914	0.5
74.44269	0.5
88.24085	0.6
93.03452	2.5
104.02284	0.6
106.04251	2.3
109.02914	0.7
111.00891	1.0
115.92059	1.1
118.38911	0.5
121.02965	6.7
133.02957	23.9
134.03748	42.9
135.04555	10.6
135.40295	0.6
137.02448	42.7
138.02791	0.7
139.04018	13.3
145.06471	0.5
148.01674	0.7
149.02426	1.7
150.03203	4.0
160.08963	1.3
161.02417	3.6
163.37288	0.5
165.01913	2.1
174.06828	1.5
178.02716	19.2
179.03485	15.9
187.09689	0.5
217.12325	2.9
217.15912	0.6
235.17026	3.8
261.11310	100.0
261.22220	1.8
262.11627	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	261.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.5
59.01378	30.1
62.47168	0.7
69.47008	1.6
69.47434	3.7
72.99303	3.0
74.93359	0.5
84.99303	2.3
87.00883	20.2
96.30496	0.6
101.02406	0.6
103.00382	18.8
112.98819	32.4
129.09230	100.0
130.09581	2.5
130.99873	2.8
134.03802	0.6
149.00931	2.2
149.06143	1.0
238.66510	0.6
250.31717	0.8
261.07614	0.9
261.09821	7.6
261.22275	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	261.113
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
53.59155	0.3
65.04198	0.3
65.44733	0.2
66.15092	0.3
69.33898	1.7
69.34326	1.2
89.88770	0.3
91.04232	0.3
91.05535	0.4
98.20738	0.3
101.25874	0.3
107.05040	0.7
111.13774	0.3
119.23454	0.3
121.02967	1.0
125.09735	0.4
132.02200	0.7
133.02956	16.2
134.03741	8.1
134.04697	0.6
135.04524	95.4
136.04849	3.1
137.02446	4.1
139.04019	1.2
141.16888	0.4
147.04507	0.6
148.05299	1.8
161.02440	25.8
162.02849	1.0
163.03990	0.4
178.02748	0.5
179.03490	46.8
180.03853	1.4
197.90326	0.3
261.11304	100.0
261.22153	0.9
262.11646	6.1
266.54126	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	259.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	2.4
59.01380	64.9
59.24070	1.5
66.86401	1.4
69.53220	9.5
69.98534	1.3
70.18787	1.2
72.00913	2.6
72.99310	15.6
73.47230	1.2
84.99298	3.9
87.00874	60.2
102.02797	1.3
103.00379	34.2
105.01949	2.4
112.98813	63.9
127.07656	100.0
128.07997	2.9
130.99872	6.9
142.61125	1.4
147.23744	1.2
149.00920	91.9
158.52051	1.3
164.75143	1.2
181.77655	1.2
183.06921	1.3
194.61458	1.4
259.08148	7.5
259.11490	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	261.0073
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
57.03442	0.8
59.01374	2.9
67.68537	0.8
70.22462	1.9
71.01357	1.0
71.05011	0.7
72.99307	15.3
73.02956	1.1
75.00867	2.9
77.77237	0.7
79.95740	8.3
80.96499	2.0
81.03451	1.8
83.05001	1.0
85.02979	0.8
93.03458	20.9
94.03848	0.7
96.96007	2.3
97.06593	0.9
98.19929	0.8
99.04535	0.8
101.02412	0.7
103.92056	1.2
107.05034	2.3
111.08181	0.8
119.05032	44.2
120.05393	1.6
121.02976	0.7
127.00376	1.1
128.03557	0.9
131.03767	0.8
134.03690	1.2
134.89485	0.8
135.04520	28.2
137.06096	1.1
152.17337	0.7
157.07710	1.2
162.05664	0.9
163.04012	34.1
164.04338	1.4
181.05075	80.4
182.05359	3.7
199.00717	15.6
215.00185	7.3
217.12383	1.1
252.68451	0.8
261.00735	100.0
261.13434	2.4
261.22220	3.6
262.01114	4.1
280.83786	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	259.0225
Annotation	BETA-GALACTOSE-6-PHOSPHATE
Peak:m/z	Relative Intensity
51.86534	4.1
57.03452	4.2
59.01366	11.5
60.88821	4.2
61.98846	5.9
71.01382	13.9
71.16982	7.4
74.02447	6.8
78.95908	86.1
85.02944	4.3
87.00871	6.4
95.81291	3.8
96.96963	100.0
99.00873	7.0
101.02423	5.8
103.11660	3.9
111.00906	12.6
112.98801	29.7
129.01936	10.8
131.85370	4.3
141.36246	4.4
145.01326	4.4
163.35016	4.2
167.71117	4.4
167.76588	3.6
173.00931	5.4
191.02054	5.0
200.34387	4.0
213.05234	5.0
217.10794	4.0
259.02151	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	259.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05460	1.0
59.01379	6.3
69.77069	5.0
71.01386	2.2
72.00910	7.9
73.02947	0.8
78.95901	2.1
80.43164	0.8
86.02477	54.1
86.88760	0.8
87.02813	0.8
92.05061	57.6
93.05434	0.8
96.96031	0.9
96.96935	0.8
97.06641	0.7
101.02464	1.5
107.52289	0.8
107.86324	0.8
113.02508	1.1
115.07662	0.9
116.05064	54.6
117.05424	2.0
128.05109	0.9
129.05881	2.1
130.06621	2.1
135.04549	8.0
142.06628	22.9
143.06053	1.3
144.04578	0.9
144.08194	6.6
154.06601	5.2
156.06953	5.3
161.04755	1.4
161.43773	0.9
165.37141	0.8
169.07715	9.9
171.09274	54.9
172.09615	1.6
179.03497	8.6
179.10913	0.7
200.09352	1.3
200.37718	0.8
215.08243	100.0
216.08582	5.3
216.16182	0.7
217.10710	0.9
244.03662	0.8
258.99149	2.4
259.02655	1.4
259.07239	16.6
259.11560	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	259.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.8
59.01087	1.8
59.01382	36.3
67.03134	1.0
68.00948	0.9
70.02692	4.0
72.99319	2.3
73.77168	1.0
84.99319	4.0
85.81831	0.9
87.00871	24.1
103.00374	20.4
112.98816	37.2
112.99593	2.1
127.07652	100.0
128.07996	3.4
130.99847	4.0
135.04497	2.9
149.00912	3.3
179.03496	2.7
197.29240	1.1
225.51280	1.1
259.08179	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	259.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	24.6
58.16499	0.8
59.01380	9.3
60.15073	0.7
61.98841	1.1
70.85136	1.0
71.01382	2.9
71.63343	0.8
72.99302	1.0
73.02945	2.9
78.95910	24.7
83.04979	0.9
85.75394	0.9
87.34865	0.8
90.97112	1.4
96.96968	24.4
99.65172	0.9
101.02445	10.1
102.05554	0.9
109.02905	1.0
116.92847	1.3
117.01874	0.9
118.96574	1.4
127.00378	9.1
128.03542	2.0
130.08714	4.6
131.00270	12.1
132.98170	1.9
135.04527	1.2
138.97983	1.1
144.98204	1.0
156.98198	7.4
158.99744	1.5
160.97725	1.6
171.14977	1.5
172.97794	8.8
173.01318	100.0
174.01698	2.1
174.99219	3.6
185.88683	0.9
198.99240	94.0
199.99567	2.3
206.22879	0.8
215.02403	7.6
215.13948	1.8
217.00285	12.7
223.94531	0.9
240.88380	1.0
259.01315	10.1
259.08289	1.5
259.12787	3.4
259.15448	1.1
260.99069	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	257.1295
Annotation	6beta-Hydroxyhuperzine A
Peak:m/z	Relative Intensity
59.01383	0.7
67.01899	1.1
69.64824	2.4
73.25845	0.4
79.05508	1.0
95.05023	1.3
108.04573	0.5
120.04546	5.4
121.05334	4.2
122.06119	7.4
134.06126	3.7
135.06886	1.3
136.07680	15.0
137.08018	0.8
144.82092	0.4
148.07629	1.2
160.06480	0.6
161.07207	2.6
162.05614	1.2
171.11797	2.4
184.07687	1.0
187.07692	0.5
198.09219	1.6
199.10040	2.4
214.12378	11.8
215.12732	0.9
227.08246	6.0
228.08977	1.8
230.11852	5.5
241.09764	2.8
242.10597	20.9
243.10941	1.3
257.12946	100.0
257.23856	1.1
258.13278	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	256.1919
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
50.81536	0.2
61.53899	0.3
72.04543	0.4
74.02477	100.0
75.02824	0.9
84.04543	0.8
118.48523	0.3
120.83040	0.3
212.20210	4.2
219.84604	0.3
256.19199	40.7
256.23422	10.8
257.19519	2.6
257.23935	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	257.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06508	0.5
57.28237	0.5
62.35971	0.5
64.32848	0.5
68.52963	0.5
70.06118	2.5
79.95730	0.6
81.03468	0.6
92.79946	0.5
93.03484	0.7
99.00891	0.6
107.01394	2.2
108.02213	0.9
109.02922	1.0
122.03780	0.7
123.04510	1.4
124.01672	1.3
127.00381	12.3
131.68150	0.6
133.02914	0.7
135.00890	1.3
135.04567	0.8
137.02455	6.7
139.04005	1.4
149.02440	2.2
150.03233	7.3
151.00374	0.6
151.03969	2.0
152.01172	6.1
160.01663	0.9
161.02481	4.1
163.00380	57.1
164.01161	17.9
165.02023	3.5
167.03517	2.1
177.01994	3.3
178.02728	10.8
179.03413	2.4
180.04321	0.7
193.05043	1.4
194.05855	0.6
195.02988	100.0
196.03430	5.3
209.04662	1.1
210.05342	48.1
211.06038	7.0
212.06725	1.3
213.05940	0.9
225.07671	8.1
226.07942	0.6
227.05634	3.2
242.05501	1.0
242.07951	17.9
243.08286	1.3
257.04642	0.6
257.08279	0.8
257.10355	11.9
257.13504	0.9
257.23828	1.3
258.10962	1.0
269.31232	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	255.1139
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
58.39399	0.4
65.03972	0.5
95.05032	1.3
108.04549	0.9
109.02898	0.4
120.04537	1.4
122.06120	1.5
132.04533	0.8
134.05191	0.5
134.06125	6.2
145.05328	1.3
159.05632	2.5
160.06367	1.1
182.06097	3.0
196.07626	1.8
197.08458	2.0
210.09189	0.6
212.08902	0.9
212.10802	9.9
213.11169	0.6
225.06683	2.5
226.07433	5.4
228.10144	0.6
239.08247	6.2
240.09033	13.2
241.09470	0.6
255.11380	100.0
255.23268	12.8
256.11700	7.9
256.23560	0.8
263.57089	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	255.233
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
70.13633	1.1
70.14018	0.8
115.85499	0.4
143.95879	0.4
195.66302	0.4
255.23308	100.0
256.23672	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	255.0663
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
59.01367	0.3
63.02399	6.2
65.00325	8.0
67.96214	0.3
68.99815	0.6
69.44429	1.8
69.44833	0.4
80.02664	0.4
83.01389	6.6
88.84659	0.3
98.19767	0.4
107.01395	9.3
108.02189	1.0
115.05504	0.3
123.00875	0.8
125.02421	0.8
133.02968	0.4
136.01662	0.9
141.07091	0.9
145.05481	0.5
145.06602	7.0
150.99162	0.6
151.00375	11.5
160.44070	0.3
164.01175	1.5
169.01439	0.5
169.06587	2.6
169.54602	0.3
171.04524	6.6
172.05322	1.9
177.01913	0.3
183.08124	1.0
185.06085	2.6
187.07658	3.2
211.07635	3.5
212.08026	0.4
213.03514	0.6
213.05582	11.0
214.05923	0.6
227.07143	1.0
244.58337	0.3
255.06622	100.0
255.23297	4.3
255.25896	0.4
256.06976	6.6
256.23560	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	254.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50522	0.8
55.13253	0.9
61.72488	0.7
63.02398	1.0
69.47675	3.6
69.48096	3.0
74.02481	11.5
82.23585	0.9
83.01357	0.9
89.00323	4.9
91.01900	3.5
95.01416	1.1
100.00413	100.0
101.00735	1.5
102.63503	0.8
106.00607	5.0
111.00891	0.9
121.02962	50.9
122.03265	1.5
123.00887	10.7
125.38555	1.0
127.00351	0.8
136.04083	1.8
138.03233	21.3
139.00385	1.3
139.03928	1.0
149.09645	0.8
151.07680	1.1
152.03505	2.7
153.05576	45.6
154.05945	1.6
179.02246	3.4
180.03021	15.8
193.08780	1.2
194.04575	9.8
195.05365	9.2
210.07730	15.5
254.06714	27.9
255.06947	2.4
255.23331	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	253.2173
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
54.30884	0.3
54.79987	0.4
56.58636	0.4
59.01378	0.9
62.29818	0.3
71.37787	0.6
74.81872	0.3
108.57223	0.4
166.67491	0.4
173.30276	0.4
179.42703	0.4
253.21722	100.0
254.22090	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	253.2172
Annotation	(Z)-Palmitoleic acid
Peak:m/z	Relative Intensity
55.02527	8.4
56.17712	8.5
57.20622	10.3
57.64220	9.6
58.94133	8.0
59.01363	17.1
71.53236	14.8
77.34808	8.6
79.63457	9.3
80.36395	9.2
85.75037	9.2
96.96330	8.4
114.26457	9.2
125.14035	8.7
151.33855	8.7
175.79625	9.3
181.81703	9.6
253.21780	100.0
254.22096	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	253.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34237	0.4
59.01382	5.7
61.98813	0.4
69.68948	0.9
69.69364	1.5
71.01376	1.2
72.99279	0.6
74.46563	0.3
78.39044	0.4
83.44290	0.3
84.02190	0.4
84.99311	0.5
87.00875	7.5
93.03459	0.4
94.04313	0.4
101.02460	1.1
103.00396	2.1
112.98820	3.1
119.06187	0.3
121.02957	100.0
122.03300	3.1
136.16704	0.4
161.04469	0.4
202.07417	0.4
253.03546	1.4
253.09296	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	253.0506
Annotation	Chrysin
Peak:m/z	Relative Intensity
59.01365	0.5
62.43191	0.1
63.02399	8.6
64.91283	0.1
65.00323	3.6
70.94569	0.3
83.01403	0.3
88.19610	0.2
89.00320	0.7
101.03981	0.7
107.00687	0.3
107.01393	3.5
115.05533	0.5
117.03421	0.2
119.05032	1.7
121.02964	0.3
131.50089	0.1
136.86707	0.1
139.05490	0.4
143.05025	6.0
144.05344	0.4
145.02950	2.5
148.01651	0.3
148.16180	0.2
151.00378	1.0
153.07117	0.3
155.05022	0.5
157.06647	0.2
165.07072	1.4
167.05006	1.1
171.08133	0.2
175.94138	0.1
180.05814	0.8
181.06607	1.4
183.04526	0.3
185.06070	1.2
187.03964	0.3
197.06087	0.3
208.05341	0.5
209.06075	3.6
210.06380	0.2
211.03946	1.0
225.05573	0.4
253.05048	100.0
254.05374	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	253.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
69.23380	0.3
71.01417	0.4
71.34206	0.5
72.42182	0.3
76.59270	0.3
87.00878	7.4
100.00420	0.8
103.00391	1.2
112.98831	3.0
115.82373	0.3
121.02958	100.0
122.03287	3.2
151.88498	0.4
210.12852	0.4
225.93690	0.4
253.03529	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	251.2014
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01384	2.7
69.55051	0.8
69.55473	2.0
71.01382	1.1
73.02940	0.4
74.53293	0.3
83.05009	0.4
98.20684	0.5
101.02435	0.8
162.86911	0.4
219.39842	0.3
223.13353	0.8
233.19128	1.1
251.20148	100.0
252.20480	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	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
50.89421	0.3
59.01381	1.4
65.37411	0.3
70.93599	0.8
71.01392	0.6
83.05012	0.5
95.01411	0.4
98.19830	0.4
101.02429	0.8
104.87965	0.3
127.15204	0.3
135.00842	0.6
161.04559	0.5
168.18936	0.3
178.99875	0.3
189.92470	0.3
215.48552	0.3
233.19052	0.9
251.20158	100.0
252.20502	5.9
261.20441	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	253.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43964	0.5
59.01380	6.4
69.65376	0.5
71.01385	6.6
89.02428	0.6
93.03460	50.0
94.03797	1.6
101.02444	0.8
114.48666	0.4
115.00378	1.9
115.63640	0.4
121.02963	3.4
133.01450	1.0
137.02449	100.0
138.02797	2.8
161.04532	0.8
167.58691	0.5
193.07094	0.9
225.05597	0.7
253.05222	2.2
253.09247	0.7
253.21829	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	251.1652
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03177	0.4
57.03448	7.2
59.01373	0.6
59.98497	0.4
64.01907	0.3
69.03440	0.5
70.60806	0.9
71.01361	0.4
76.97009	0.4
79.95729	0.7
83.05020	1.2
99.04529	2.3
114.06631	0.4
116.15224	0.4
119.08678	1.9
120.96007	1.2
123.04533	0.8
135.08173	0.6
137.09729	23.3
138.10072	1.0
181.08777	1.4
183.78200	0.3
189.16489	2.2
191.14404	1.4
207.17508	2.0
208.45253	0.3
233.15482	0.5
251.16519	100.0
252.16881	6.5
256.37125	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	251.165
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
51.64537	0.5
54.38835	0.6
57.03446	6.1
59.01351	2.4
60.99308	17.8
69.03427	1.9
71.01363	1.5
71.37108	1.1
78.78909	0.6
101.02411	1.1
117.07085	0.9
121.06584	3.9
142.58235	0.7
161.09686	0.7
187.14984	4.0
187.30057	0.7
205.15968	100.0
206.16289	5.8
207.17519	34.4
208.17868	2.9
225.18594	15.9
226.19025	1.5
233.15440	2.5
239.16469	2.0
251.16539	86.0
252.16899	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	251.1652
Annotation	(+)-alpha-Carissanol
Peak:m/z	Relative Intensity
57.03450	19.3
59.98540	1.4
61.19421	1.0
71.05028	1.5
71.13083	2.0
73.08568	0.8
79.95731	5.6
80.92583	0.9
83.05025	30.9
86.99445	0.8
99.04522	100.0
99.70399	1.1
100.04854	2.4
146.79962	0.9
167.10687	2.3
175.11346	1.3
189.16484	7.6
191.14412	5.9
193.12329	27.7
193.14116	1.4
194.12759	1.6
207.17517	1.5
233.15477	6.8
251.07004	1.7
251.16524	87.1
252.07332	2.0
252.16884	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	251.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
69.52341	1.7
69.52751	4.5
72.99311	6.1
73.38554	1.0
75.00869	4.0
87.00878	16.2
93.03445	1.0
95.37327	0.9
96.96944	0.9
98.19859	1.7
105.01936	100.0
106.02302	1.8
117.03463	3.9
119.05031	67.3
120.05350	1.7
135.04498	2.5
145.02957	17.6
163.04012	99.6
164.04378	3.7
174.14746	0.9
251.03418	2.2
251.07359	1.4
252.04071	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	251.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24298	1.1
55.01878	8.7
55.13148	1.0
57.03456	6.5
58.00588	3.3
59.01381	75.5
68.99817	1.1
71.01385	100.0
71.29390	2.2
72.96146	1.1
72.99318	5.3
73.02947	37.4
75.00878	3.0
78.42770	1.1
80.96542	2.0
83.01392	15.7
84.02174	1.2
85.02956	47.6
87.00885	5.2
87.04517	1.3
89.02448	22.7
95.01398	7.6
95.72382	1.0
97.02967	1.3
99.00879	14.9
101.02447	96.4
102.02744	2.1
111.00898	1.8
113.02449	45.4
113.03230	2.6
114.02785	1.4
119.03502	5.2
125.02431	1.3
129.01970	3.3
131.03506	1.2
136.43298	1.1
143.03511	3.6
159.03003	9.3
161.04556	41.1
164.94148	1.6
190.85167	1.3
251.02567	1.3
251.05836	2.0
251.11357	24.3
251.16705	2.5
252.11745	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	249.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36568	0.5
53.77828	0.6
59.01384	4.6
61.98823	1.7
62.02011	0.5
69.61063	4.0
71.01366	1.0
79.95754	4.0
83.05006	1.2
88.12855	0.5
89.00205	0.5
109.68549	0.5
142.28899	0.6
184.00188	6.4
184.50333	13.9
185.00020	9.9
185.50243	1.5
205.12305	0.9
205.15973	2.9
205.19559	0.9
219.13924	0.6
231.17638	0.9
234.15611	0.6
247.17091	0.7
248.58156	14.8
248.97334	1.3
249.00337	0.8
249.04010	0.6
249.07953	9.5
249.15065	9.6
249.18584	100.0
249.57991	2.1
250.14513	9.5
250.18872	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
56.02189	0.3
59.01376	4.3
61.98821	0.4
65.21993	0.3
67.11369	0.3
71.01385	0.7
71.56444	0.6
83.05013	0.9
111.41149	0.3
141.86896	0.3
157.86360	0.4
168.08060	0.4
177.16446	0.7
189.12851	0.4
203.85686	0.4
205.15947	11.3
205.19443	1.8
206.16261	0.7
231.17479	1.3
247.16959	0.6
248.58089	0.4
248.97418	0.7
249.14932	18.7
249.18547	100.0
250.14496	13.2
250.18840	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	249.1495
Annotation	Sch 601254
Peak:m/z	Relative Intensity
55.86300	0.7
57.03441	1.5
59.01368	2.7
61.98822	0.8
65.03967	0.8
71.20892	1.4
74.67160	0.7
79.95690	0.8
81.03445	2.0
83.05031	37.4
84.05355	0.9
95.05006	1.4
97.06595	27.7
98.06888	1.0
100.17451	0.7
121.06625	0.9
123.08170	1.4
161.02435	1.2
165.09248	0.9
187.14983	4.1
205.12323	2.8
205.15970	12.0
206.16336	1.1
221.15495	4.6
231.13945	7.4
249.07819	2.1
249.14960	100.0
250.14668	16.6
266.56857	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
54.60238	0.2
59.01088	0.3
59.01381	4.4
61.98835	0.7
71.01390	0.4
71.10984	0.5
79.95731	0.5
81.46647	0.2
83.05025	0.9
87.92506	0.2
97.06567	0.5
102.38164	0.2
113.08173	0.2
130.91219	0.2
133.02954	0.2
177.01924	0.2
177.16505	0.5
184.00215	0.7
184.50340	0.9
185.00075	0.6
205.12344	0.3
205.15959	0.3
205.19637	1.3
231.17526	1.7
247.17003	0.6
248.58113	1.2
249.07993	0.9
249.18594	100.0
250.14581	2.3
250.18913	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	249.1496
Annotation	Lychnopholic acid
Peak:m/z	Relative Intensity
52.21845	0.5
57.03449	1.1
59.01371	0.6
65.03935	0.8
67.61555	0.5
69.42228	3.3
69.42640	0.9
80.56879	0.5
81.03458	1.7
83.05022	41.3
84.05386	0.8
84.46041	0.6
86.08138	0.5
94.07840	0.4
95.05070	1.2
97.06587	32.0
98.06950	0.8
107.26018	0.5
112.57571	0.5
113.06120	0.7
135.08141	0.7
137.09654	0.6
137.43053	0.5
149.09683	1.2
164.24890	0.6
165.09148	0.7
187.14928	5.6
189.12845	0.9
205.12314	1.1
205.15964	11.7
206.16376	1.2
221.15373	0.6
223.38345	0.6
231.13904	8.0
231.46768	0.5
238.58522	0.5
249.14951	100.0
250.15300	6.4
269.74356	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	249.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43653	1.4
55.01887	9.7
57.03446	7.1
58.00575	3.5
59.01381	64.9
69.03454	1.8
71.01383	80.2
71.39645	1.9
71.41270	1.3
72.01701	1.6
72.99302	5.7
73.02951	39.1
75.00890	2.6
80.38119	1.3
83.01389	19.3
85.02950	48.4
85.06590	2.0
87.00867	5.5
87.97980	1.7
89.02440	4.6
95.01376	7.0
97.02917	2.5
99.00877	11.6
101.02448	100.0
102.02763	2.0
111.00851	3.3
113.02464	32.1
125.02425	1.9
129.01956	2.1
135.04581	1.6
143.03491	1.8
159.02985	4.2
161.02429	2.2
161.04581	15.6
161.05904	2.8
164.04814	2.4
177.01973	1.4
187.11279	1.8
203.85159	1.4
205.10518	1.9
205.12411	2.5
221.06050	2.4
249.05519	4.6
249.07755	4.0
249.11192	4.8
249.13193	15.8
250.06319	2.3
250.14476	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	249.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43653	1.4
55.01887	9.7
57.03446	7.1
58.00575	3.5
59.01381	64.9
69.03454	1.8
71.01383	80.2
71.39645	1.9
71.41270	1.3
72.01701	1.6
72.99302	5.7
73.02951	39.1
75.00890	2.6
80.38119	1.3
83.01389	19.3
85.02950	48.4
85.06590	2.0
87.00867	5.5
87.97980	1.7
89.02440	4.6
95.01376	7.0
97.02917	2.5
99.00877	11.6
101.02448	100.0
102.02763	2.0
111.00851	3.3
113.02464	32.1
125.02425	1.9
129.01956	2.1
135.04581	1.6
143.03491	1.8
159.02985	4.2
161.02429	2.2
161.04581	15.6
161.05904	2.8
164.04814	2.4
177.01973	1.4
187.11279	1.8
203.85159	1.4
205.10518	1.9
205.12411	2.5
221.06050	2.4
249.05519	4.6
249.07755	4.0
249.11192	4.8
249.13193	15.8
250.06319	2.3
250.14476	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	247.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12342	0.2
66.61481	0.2
69.33289	0.9
69.33718	0.8
98.62011	0.2
159.51933	0.2
176.99371	0.2
184.00195	1.4
205.15956	0.5
209.97742	0.2
231.13892	0.5
246.95071	0.2
247.17018	100.0
248.07997	1.0
248.17355	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	248.0926
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
52.01894	0.5
55.01868	0.4
57.03442	1.2
58.00607	0.6
59.01383	6.6
60.63419	0.5
68.16353	0.4
68.99813	2.5
69.03441	1.3
69.42406	3.5
70.02964	0.9
71.01385	8.3
72.04553	6.8
72.99310	1.9
73.02957	1.1
75.00879	4.1
75.75880	0.5
82.02985	100.0
83.01380	1.0
83.03310	1.6
85.02950	4.8
87.00879	2.1
89.02435	1.5
91.04012	0.6
91.05552	4.8
93.03466	0.6
95.01397	1.4
97.02959	0.7
98.02471	10.0
99.00888	3.2
100.04047	51.7
101.04379	0.8
111.00891	0.4
113.02451	4.2
115.07603	0.6
116.07960	0.9
117.01941	0.6
135.04553	1.5
148.04883	0.5
176.10811	1.4
189.01353	0.5
202.08734	17.4
203.09091	1.0
204.10309	0.8
209.55856	0.5
220.09755	0.5
231.05037	1.3
248.09267	36.5
249.06134	19.0
249.09587	1.8
249.15097	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	247.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04055	0.6
55.80301	0.6
57.03440	0.7
59.01382	5.7
64.88850	0.6
69.50981	1.4
69.51388	3.6
71.01388	21.6
72.99313	1.0
75.00880	11.3
85.02956	1.5
87.00879	2.0
89.02456	1.9
95.01373	0.6
98.19893	1.4
101.02421	1.5
103.00401	1.4
109.02927	1.0
111.08179	0.9
112.98824	2.3
115.00363	5.0
115.07652	7.3
119.05001	1.1
119.79704	0.6
126.90520	1.1
131.07144	100.0
132.07495	2.1
135.04526	2.1
147.04512	2.2
173.08263	0.9
175.04016	1.6
176.01157	1.2
203.03503	1.7
205.05278	0.7
247.02518	2.7
247.06160	1.1
247.13419	1.3
247.15457	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	247.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34074	0.7
51.64563	0.7
53.13615	0.7
58.00574	0.9
59.01383	29.9
69.34691	2.2
69.35104	4.4
72.99316	2.3
84.99327	2.1
87.00879	18.1
103.00375	17.7
112.98815	28.4
115.07652	100.0
115.73383	0.7
116.08028	3.4
119.05051	2.1
130.99863	3.0
147.04532	11.3
149.00929	1.3
159.04543	2.6
168.03012	1.1
174.03027	0.7
175.04002	7.0
203.03531	3.4
247.02466	6.6
247.08261	7.1
250.83212	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	247.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.0
59.01381	35.0
63.43732	0.6
69.72975	3.4
69.73398	1.1
72.99310	1.7
84.99332	2.3
87.00878	22.1
103.00377	18.7
112.98814	33.2
115.07651	100.0
116.07988	2.7
119.05017	1.5
130.99878	3.9
146.03729	1.1
147.04520	9.1
149.00900	1.7
159.04501	2.8
174.03200	1.7
175.04028	7.4
187.96938	0.7
203.03481	2.8
247.02463	5.7
247.08130	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	245.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97937	1.5
59.01380	44.2
61.10306	2.0
69.84499	3.1
69.84893	5.3
72.96380	1.6
72.99306	11.7
80.55385	1.8
84.99300	2.5
87.00874	51.9
91.76162	1.5
101.68492	1.5
101.89638	1.6
103.00375	25.8
105.01895	1.7
112.98811	44.4
113.06089	89.0
113.99112	2.2
114.06399	1.9
130.99812	4.9
146.34988	2.0
149.00919	100.0
170.59155	1.4
209.62543	1.6
245.06613	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	245.118
Annotation	Mansonone S
Peak:m/z	Relative Intensity
58.00658	1.6
58.00959	1.3
59.01376	2.6
61.98842	3.0
69.03461	2.6
71.64190	1.5
74.24753	1.3
107.04951	1.4
113.06055	2.1
143.05025	1.7
145.05606	1.3
145.06631	4.6
146.03729	3.2
147.04532	31.7
148.04849	1.7
149.00912	1.3
155.05070	3.9
158.03749	1.5
159.04507	41.3
160.05096	1.7
161.06090	4.0
171.04552	1.9
172.05307	7.9
173.06073	79.8
174.03239	2.5
174.06529	3.6
175.03981	12.2
179.01961	1.2
179.03575	1.7
187.03961	2.9
187.07642	19.3
188.08282	2.1
189.09190	10.8
201.05583	15.0
201.09235	2.4
201.12871	4.2
202.06198	2.5
203.07149	2.5
204.07887	5.2
215.07166	5.3
216.07907	99.6
217.08232	6.2
227.10674	2.3
245.07988	5.9
245.11815	100.0
246.12096	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	245.1182
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
56.72432	0.7
59.01378	1.0
61.98835	5.9
69.37165	1.9
69.37582	4.6
70.70956	0.7
87.00838	0.7
96.46833	0.7
99.92558	1.6
100.92638	0.9
108.02177	0.7
116.05080	1.5
116.92882	0.7
117.03474	23.8
119.05029	100.0
120.05348	3.9
121.02968	6.3
123.04516	2.5
132.05743	0.8
133.02934	1.5
145.02956	42.9
146.03325	1.8
147.04581	0.8
149.00885	1.0
162.03197	1.6
163.04013	49.0
164.04378	1.8
199.90158	0.9
201.12805	0.8
245.11818	91.0
245.89639	1.1
246.12096	6.4
258.38058	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	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01382	55.0
59.94955	0.7
61.12994	0.7
66.68968	0.7
68.51772	0.7
69.03463	1.8
72.99311	9.9
79.54792	0.6
83.05029	0.8
85.06584	1.2
90.93790	0.7
97.58654	0.7
98.09871	0.7
100.71790	0.7
107.08669	5.4
113.06121	0.8
121.10245	1.7
125.09698	1.7
125.36945	0.7
135.04533	1.8
137.09784	0.7
139.11301	3.3
145.02937	1.3
155.10815	3.5
179.03510	1.0
183.10265	60.7
184.10625	2.5
201.11320	100.0
202.11668	5.4
225.11240	0.9
243.06633	3.9
243.12312	4.9
263.94431	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	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
50.42479	0.7
50.62460	0.7
58.69741	0.7
59.01374	2.8
66.03486	14.6
68.01409	2.8
68.26956	0.9
71.01382	1.8
71.09281	1.5
74.62379	0.8
82.02985	31.0
82.96788	0.8
83.01392	2.0
83.03359	1.2
83.80339	0.7
84.04565	1.3
89.02452	0.8
94.02995	3.3
96.04575	1.8
98.20604	0.8
108.04555	2.9
110.02481	100.0
111.02007	6.7
111.02812	2.4
117.01942	1.9
122.02489	8.4
124.04044	3.1
140.03557	11.6
152.03532	16.7
153.03047	15.2
164.03564	1.2
172.97386	1.0
183.04106	1.0
200.05652	33.5
201.05939	0.9
202.63484	0.8
235.54874	0.8
243.06207	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	242.0935
Annotation	Cyclo(-Gly-Trp)
Peak:m/z	Relative Intensity
59.01391	6.7
69.52235	7.1
69.52641	2.4
71.14664	1.1
72.00565	1.1
72.00905	7.3
74.02473	12.8
80.61182	1.2
83.05026	1.7
87.00886	3.6
93.37601	1.5
98.31744	1.1
99.92586	3.2
100.92586	2.9
103.00353	1.3
110.02441	1.6
111.04520	21.9
112.98792	3.3
116.05045	1.4
123.06542	1.3
128.07181	11.9
130.06644	2.3
131.07112	4.9
142.06631	1.5
150.24280	1.3
155.06152	100.0
156.06500	5.8
157.07713	38.4
158.08025	2.7
167.06116	12.1
168.06993	8.5
169.07744	2.3
171.09285	4.0
181.07704	14.1
198.05696	2.4
198.10370	10.3
198.29262	1.2
199.79205	1.2
200.05875	4.1
204.97893	1.2
205.02682	1.2
212.27113	1.4
215.08188	1.6
219.73473	1.1
224.08389	3.3
225.06760	2.2
242.09366	86.0
242.17702	1.7
242.21959	1.3
243.03355	1.2
243.09569	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	242.067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74447	2.3
55.01875	5.3
59.01131	2.7
59.01382	35.7
61.54642	2.1
61.98817	4.0
66.59978	2.5
68.54252	2.2
71.41203	2.1
71.64703	3.5
78.95886	5.4
82.02960	11.4
83.01382	3.3
84.04540	2.4
85.02962	2.6
85.06573	9.4
87.00910	2.3
97.02956	4.2
98.02489	5.1
100.04033	6.6
107.05024	25.6
110.02461	7.1
110.06113	5.1
111.03323	2.4
111.04506	8.6
112.04057	15.0
112.07691	72.1
113.07988	2.9
114.05589	3.8
124.04041	7.2
124.07659	9.5
125.06061	3.9
126.05591	2.7
126.09210	4.4
134.06073	4.9
136.07689	18.2
137.06111	4.0
138.05614	3.4
140.07172	25.8
142.05083	2.9
152.07126	4.4
153.05544	3.9
154.08713	5.2
155.07112	5.3
168.06549	3.4
170.08272	13.6
171.12721	2.2
178.37238	2.3
180.06654	6.1
196.06157	28.9
198.07712	48.4
200.02290	2.6
214.07155	17.0
242.06673	100.0
242.17680	2.9
242.22058	3.0
243.06827	4.5
243.09332	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	241.2173
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
61.98829	0.7
79.63203	0.3
89.98930	0.3
98.19833	0.6
103.92033	1.2
116.04787	0.3
149.91325	0.4
210.64319	0.3
213.91711	0.6
223.20583	0.4
240.99854	0.4
241.21727	100.0
242.22044	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	239.2018
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
57.24707	0.4
59.01387	7.0
61.98835	3.6
71.01382	0.6
72.17278	0.4
83.44966	0.5
87.79959	0.4
95.01397	0.6
107.01375	0.5
123.00863	0.5
141.66141	0.4
154.06282	0.5
154.08731	0.4
161.04633	0.6
179.05576	2.5
195.13927	1.4
207.04065	3.5
210.94136	0.9
221.19124	0.7
223.02875	2.4
239.06778	10.7
239.09216	1.0
239.20169	100.0
240.07146	0.7
240.20486	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	241.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97870	0.4
57.03421	0.5
59.01377	5.8
60.99304	0.5
69.79440	1.2
69.79852	1.3
71.01378	0.6
71.04984	0.6
76.69444	0.5
83.04996	0.8
90.74831	0.5
95.05005	0.6
97.06596	2.9
97.60208	0.5
101.02413	0.4
103.50488	0.4
103.55320	0.5
108.04710	0.4
113.99574	0.5
135.11839	0.6
151.11269	1.8
152.19672	0.4
153.12852	2.8
176.70332	0.5
179.10774	4.9
185.06113	0.7
195.10257	2.7
196.05244	0.6
197.11830	100.0
198.12180	4.3
213.05681	1.4
213.11348	0.9
223.09758	1.0
224.04761	2.2
240.04280	1.0
241.05046	9.1
241.10835	19.6
241.21643	0.7
242.11287	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.15304	0.5
59.01364	1.0
62.78878	0.4
70.94126	0.7
70.94445	0.7
88.07542	0.5
95.05027	1.4
101.06091	7.9
104.15720	0.5
108.61693	0.5
109.06586	5.1
111.08160	6.1
122.03736	1.3
125.09708	1.2
138.06898	1.0
139.04010	13.5
139.07626	0.5
151.11244	0.8
154.06364	33.5
155.06662	0.9
167.14403	9.9
176.13379	0.5
179.10779	5.2
180.11279	0.5
182.05830	3.3
189.95412	0.5
195.13901	100.0
196.14253	6.5
239.12863	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	239.0925
Annotation	CMPF
Peak:m/z	Relative Intensity
51.19632	0.8
58.71692	0.7
59.01382	100.0
60.01705	0.8
61.60177	0.6
69.03465	0.7
74.95441	0.7
75.48232	0.8
81.03457	1.0
83.05079	0.9
85.02950	1.0
92.79711	0.7
93.35629	0.8
95.05055	2.3
97.06609	3.0
99.17514	0.8
109.06613	2.6
125.23764	0.7
135.08176	2.9
141.05594	11.0
151.11313	3.4
177.09242	3.2
179.07152	1.6
195.10281	47.9
196.10608	2.9
221.08330	1.5
221.29211	0.9
239.09270	35.3
240.09653	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	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
52.11630	0.6
53.58371	0.6
57.03491	1.9
58.00632	1.4
59.01102	2.1
59.01379	36.6
61.98855	0.7
63.58759	0.6
68.62622	0.7
71.01389	10.5
71.61771	0.9
71.84674	0.7
72.99358	1.9
73.02978	0.8
79.05791	0.7
83.01449	2.2
85.02995	1.2
87.00932	2.7
89.02433	4.9
92.02721	1.5
92.84236	0.6
93.03459	57.4
94.03829	1.4
95.01385	5.6
95.09714	0.7
96.96069	1.0
99.00935	0.9
101.02447	7.8
105.01981	1.1
107.05042	4.6
108.02164	5.7
109.03004	0.7
112.12047	0.7
121.02998	2.9
122.06167	0.8
123.04563	2.1
125.02499	1.0
133.02921	0.8
134.06157	0.7
135.04547	5.5
136.01665	34.9
136.07797	0.8
137.02452	62.3
138.02815	2.3
138.05647	1.2
142.96623	0.9
147.04610	0.7
149.02444	2.3
150.05632	0.7
151.04021	4.2
161.04567	1.3
163.03992	1.1
164.07121	0.7
166.05103	0.8
177.09267	0.9
179.03499	100.0
179.05554	7.0
180.03830	3.9
181.01410	1.6
191.03418	0.6
195.06477	0.7
195.10236	0.8
195.13976	0.8
196.06078	2.9
211.04100	3.5
211.05713	0.9
223.02832	4.0
224.03200	1.3
239.03696	3.5
239.05540	59.6
239.12744	3.2
240.04030	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	237.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.9
57.03440	13.7
58.00590	4.1
59.01384	67.5
61.98834	5.3
69.99263	20.6
71.00984	5.5
71.01379	99.5
72.99304	5.0
73.02945	33.1
74.99084	17.4
75.00873	16.5
78.95891	8.7
79.95712	3.8
80.96513	4.5
83.01398	22.6
85.02946	57.1
87.00872	19.1
89.02427	14.7
95.01332	4.3
98.20477	4.9
98.55794	3.6
99.00855	12.0
101.01768	5.6
101.02438	100.0
109.04887	4.0
110.07240	7.2
113.02463	37.3
119.05040	3.7
136.99147	5.0
138.01971	8.0
139.02753	5.9
143.03551	5.7
149.06044	4.8
159.02959	10.5
161.04535	39.3
176.94455	8.3
176.96220	4.2
214.50830	3.8
225.77525	3.7
236.93443	4.0
236.95995	3.8
237.03969	7.0
237.06133	7.8
237.09549	12.6
237.14809	4.1
237.92831	4.7
241.56805	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	237.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84325	0.4
53.72835	0.6
55.68421	0.5
57.03450	15.5
59.01373	2.2
59.44999	0.5
63.15988	0.5
65.54788	0.5
69.65056	3.6
71.01353	0.7
73.02937	1.5
74.74567	0.5
75.02399	0.7
87.04510	3.6
89.06083	90.6
90.06422	2.1
93.03441	1.3
97.02183	0.5
97.73460	0.5
106.86937	0.5
112.73611	0.6
116.98384	0.5
121.02956	100.0
122.03279	2.9
133.05022	1.1
137.09727	2.1
145.54596	0.5
149.06059	0.9
237.05804	0.7
237.07689	18.1
237.11295	0.8
237.14963	0.7
238.07921	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	237.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99673	0.8
57.03478	1.0
58.02961	1.5
59.01387	5.4
61.98838	2.1
67.15504	0.7
70.35421	2.5
71.01392	3.1
72.99337	1.1
73.02940	0.9
74.99113	2.4
75.00880	3.7
78.95904	7.3
80.96542	1.5
82.03022	1.1
83.01392	1.0
85.02963	1.4
87.00890	3.5
88.82626	0.7
93.03487	0.8
94.02990	1.4
95.01399	1.0
96.96043	1.0
99.05653	0.8
101.02456	2.3
104.69479	0.7
107.03743	0.7
108.02201	0.9
108.04565	1.8
108.24398	0.8
109.02966	2.4
109.04913	1.5
110.02503	1.2
111.00906	1.3
113.02464	1.5
113.08955	0.7
118.03027	1.0
121.02965	0.8
121.15728	0.8
122.02520	4.7
123.00874	3.8
123.03266	1.6
124.01665	5.3
124.04074	1.2
125.02439	0.9
129.01945	1.4
135.04608	1.9
136.04076	2.0
136.99155	1.5
137.02438	3.7
137.06046	0.9
138.01981	94.4
139.02766	100.0
140.03072	1.5
142.76782	0.7
146.02486	0.9
147.04443	0.8
149.01173	1.3
149.02771	1.1
149.06096	8.6
150.01978	20.0
150.94833	2.7
151.02690	1.2
151.03954	1.2
152.03554	1.3
154.05083	0.9
162.05614	6.0
164.03555	6.0
164.04811	1.0
166.05043	1.1
176.94633	0.7
187.05063	1.0
194.08295	0.9
194.97632	0.8
205.06158	4.2
222.06473	37.9
223.06720	1.2
237.04141	2.3
237.06120	1.7
237.08821	6.3
237.11252	1.6
237.14990	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	237.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91865	0.6
55.55192	0.5
69.60574	4.0
71.01385	17.1
98.20624	1.1
106.04948	0.5
115.00372	8.2
121.02962	100.0
122.03304	2.7
130.77602	0.5
184.88197	0.5
193.12242	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.5
61.98830	0.6
69.36104	0.5
69.36511	2.0
90.82346	0.3
97.67685	0.2
98.19890	0.5
107.83308	0.3
134.03708	0.8
135.04518	0.3
136.05286	0.6
139.03883	0.2
147.08237	0.3
148.04092	0.5
148.05296	9.9
149.05898	0.6
149.09686	1.5
161.04526	0.3
162.06877	0.3
175.07628	0.6
176.08403	0.7
177.09203	44.2
178.09532	2.8
190.09923	1.8
191.10733	1.0
191.93523	0.3
192.11555	35.5
193.11893	2.1
201.09233	0.5
203.07135	0.5
217.08704	3.4
218.09477	8.6
219.09793	0.4
236.10524	100.0
237.10909	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	235.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	11.1
57.03456	8.9
58.00593	4.8
58.65985	1.5
59.01383	85.4
60.01687	1.4
61.98829	2.6
64.05304	1.5
66.91753	1.4
67.18340	1.4
69.03445	2.2
69.71111	1.5
69.92703	6.7
71.01385	94.0
71.05039	2.7
72.99312	9.7
73.02951	40.9
73.06585	2.2
75.00876	1.5
83.01396	24.0
85.02956	54.7
86.00081	2.9
87.00876	6.3
87.67025	1.6
89.02459	5.7
95.01391	6.0
95.48286	1.3
97.02971	2.1
98.19849	2.1
98.93052	1.4
99.00889	20.2
101.02448	100.0
102.02794	2.8
107.42071	1.7
111.00867	2.8
113.02451	41.8
114.02743	1.6
115.03885	1.6
117.03440	1.8
119.05042	3.4
121.02891	1.5
125.02443	1.8
143.03459	2.8
145.02936	7.2
159.03033	6.8
161.04575	23.0
161.05907	2.2
163.04056	3.3
175.04056	1.9
191.07135	4.6
235.04013	3.8
235.06250	4.1
235.09752	2.2
235.11765	24.6
235.15930	2.1
236.05728	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	236.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36198	1.1
58.56845	1.2
59.01345	1.3
62.60423	1.1
69.81869	1.2
71.63170	1.4
87.00879	100.0
101.04311	2.2
120.04587	1.3
120.74109	1.3
144.04575	3.2
146.06126	5.4
149.04382	1.9
149.06349	1.4
157.07722	1.7
175.05988	2.2
178.30437	1.5
236.07549	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	235.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	13.7
57.03442	7.5
58.00592	4.6
59.01381	78.1
64.40699	1.4
69.03448	1.6
69.79073	1.6
70.64197	4.5
71.01382	71.6
71.05011	3.4
72.99319	5.6
73.02944	38.5
73.06578	1.8
75.00883	3.0
80.03465	1.4
83.01395	24.4
85.02430	2.6
85.02951	48.6
86.00137	1.9
87.00871	4.2
89.02448	5.0
95.01392	3.6
97.02959	2.5
99.00895	14.7
101.02446	100.0
111.00858	3.3
113.02456	33.6
117.03475	2.9
119.05041	12.9
125.02431	1.7
129.01959	2.0
133.02969	2.5
143.03526	2.9
143.64400	1.5
145.02963	6.2
147.04533	2.1
153.27632	1.5
159.02994	6.1
160.01616	1.6
161.04558	17.8
161.05891	2.5
163.04021	6.3
175.03963	1.5
176.04770	2.4
191.07153	5.3
195.11168	1.4
218.31770	1.4
220.03749	1.4
235.04033	1.8
235.06197	3.8
235.09718	2.1
235.11844	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	235.0725
Annotation	N,N-Dihydroxy-L-tryptophan
Peak:m/z	Relative Intensity
57.03440	3.5
59.01387	12.7
61.98835	2.2
66.32467	1.1
70.63959	1.1
70.87971	2.3
70.88331	2.5
71.01382	6.6
72.00909	12.6
72.99312	1.5
73.02949	2.8
75.91965	1.2
80.96504	2.1
83.01401	1.2
84.41634	1.0
85.02962	2.8
86.02480	14.6
87.00867	2.7
89.02442	1.7
92.05066	47.6
94.37669	1.2
98.02473	2.7
99.04510	1.3
99.42841	1.1
101.02440	3.6
104.03546	1.4
108.04556	2.8
108.93746	4.4
110.24904	1.2
113.02463	2.0
116.05072	1.6
118.02994	1.6
118.06622	8.6
120.04550	13.8
128.05064	6.5
130.06630	4.0
131.03775	30.3
132.28958	1.2
133.05020	1.9
134.06131	9.7
136.04047	1.6
144.04550	45.7
145.04933	2.4
145.08717	1.8
146.02472	21.1
146.06117	29.1
147.03140	2.5
147.06361	1.3
148.04050	100.0
148.96872	34.6
149.04362	4.6
155.06165	4.8
157.05312	2.9
160.04037	2.7
161.04562	4.3
163.03871	1.1
163.08803	1.8
164.10794	1.2
171.05659	5.1
172.04071	4.5
173.07196	24.8
174.05617	2.8
174.94803	13.6
190.05098	17.4
190.97960	3.1
191.08296	1.7
192.95935	7.4
192.97504	1.2
192.98232	1.0
205.01547	1.2
217.06244	9.6
234.93552	1.8
234.97128	2.4
235.07257	70.7
235.93233	2.3
236.07590	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	235.0723
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
51.30037	2.4
51.30730	2.3
52.39813	2.7
53.72388	1.9
57.33311	2.2
59.01379	3.7
64.18140	2.7
71.00310	4.5
72.00910	17.1
74.02472	5.5
78.28085	2.2
86.02486	13.1
87.00876	30.4
92.05061	22.8
118.06635	9.4
120.04549	15.9
128.05049	4.7
130.06631	17.6
131.03787	54.2
132.04549	8.0
134.06097	8.4
144.04546	36.9
145.03987	2.4
146.02466	7.5
146.06146	27.9
147.03291	4.9
147.04445	3.4
148.04048	90.9
152.73410	2.2
154.05402	9.0
155.06160	27.3
156.04547	2.4
156.06885	2.5
157.07677	11.8
160.04076	38.9
161.04747	9.8
162.05603	7.4
162.89447	2.3
173.07201	25.6
174.05600	61.6
175.05956	4.8
189.06709	2.5
190.05109	17.4
191.08249	27.0
193.03816	3.4
217.06174	7.3
218.04559	8.5
235.07256	100.0
236.07579	6.6
238.89990	2.4
241.01683	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	234.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01382	8.9
60.01718	1.2
61.98821	3.7
68.74665	0.8
69.94109	0.7
71.01396	4.0
71.05025	12.9
72.00896	2.0
72.99297	1.9
73.02943	1.6
73.59724	0.7
75.00866	1.8
80.96500	1.0
85.02960	1.1
86.02486	7.3
87.00875	3.5
87.04524	1.4
92.05053	2.7
98.06927	0.8
99.00875	1.1
99.04528	4.3
99.33640	0.8
101.02426	2.9
102.71806	0.9
104.03544	100.0
107.55596	0.8
113.02470	1.4
119.05045	1.0
120.04550	1.2
129.05580	1.2
131.03734	1.9
132.03073	4.8
134.04739	10.5
135.95668	1.4
144.04529	2.5
145.08711	2.7
146.02475	2.2
146.06149	2.4
146.08226	11.4
147.04668	1.2
148.04065	7.5
148.96841	1.3
158.08246	1.2
160.20740	0.8
161.04486	0.9
173.07214	2.8
174.94722	1.1
177.96658	1.1
188.09303	6.8
190.04996	1.2
191.94621	1.5
199.44069	1.0
217.10794	1.1
233.93842	4.5
233.97160	1.0
234.09822	88.3
234.15776	22.3
235.07227	5.3
235.10019	3.0
235.12000	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	234.1499
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01387	1.9
60.64431	0.2
61.76076	0.2
69.50523	1.9
103.12934	0.2
106.22887	0.2
134.89499	0.4
151.07614	0.3
163.00230	0.4
179.07077	0.7
184.00096	0.2
195.97473	0.2
207.13930	0.6
218.11871	2.3
219.12390	0.4
234.14983	100.0
235.09929	0.3
235.15285	6.6
251.11632	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	227.2017
Annotation	Myristic acid
Peak:m/z	Relative Intensity
51.74686	0.4
61.01458	0.4
70.25699	1.6
80.56995	0.5
98.19975	0.7
130.13176	0.4
227.20172	100.0
228.20497	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	229.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58937	2.6
56.91991	2.4
59.01377	15.1
64.62621	2.9
64.71356	2.6
65.79678	3.0
69.30747	23.1
70.50790	2.6
70.97217	2.5
71.01384	100.0
72.19779	2.6
80.65063	2.7
85.86251	2.3
99.95226	2.4
113.06098	62.9
115.00383	56.5
133.01436	83.4
157.00908	2.7
157.08638	2.9
181.12291	7.1
182.21161	2.7
196.55373	2.8
196.84154	2.6
199.13327	4.0
211.13393	3.7
229.01430	4.7
229.04919	3.8
229.08559	2.6
229.10617	3.2
229.14362	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	230.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08258	6.6
59.01378	100.0
62.54190	6.6
68.01414	10.3
69.42910	15.0
69.43317	41.3
71.01374	17.0
78.78049	6.6
91.37450	6.3
91.82410	5.8
98.20727	8.1
115.00398	7.7
133.01447	11.2
134.01826	10.5
155.19975	6.5
201.42250	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	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20034	0.3
54.76994	0.2
59.01381	3.8
67.82370	0.2
73.63614	0.3
74.99066	7.2
76.04501	0.2
91.02216	1.1
92.11086	0.2
93.00149	2.6
111.63142	0.2
118.96278	1.0
134.99413	7.8
135.00919	0.4
135.99374	0.6
136.97319	2.0
143.05286	0.4
149.00955	67.3
150.00978	2.7
150.98894	0.6
159.08478	2.0
161.06412	3.7
188.98541	0.3
204.03931	0.3
215.05644	1.4
217.07201	92.3
218.07346	7.0
233.10333	100.0
234.10471	7.7
235.08278	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	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.29663	0.3
57.00566	0.3
57.03443	0.7
59.01355	0.5
60.36834	0.4
64.45116	0.3
65.00328	0.4
69.48388	2.2
69.48796	0.6
93.03472	0.7
103.46002	0.3
111.00879	0.4
111.08150	0.9
112.37141	0.4
126.61422	0.4
135.04520	2.3
137.02435	0.3
165.12849	20.1
166.13158	1.4
173.06285	0.4
179.03482	1.3
181.12407	0.5
183.13898	100.0
184.14281	5.1
187.07599	1.1
196.41045	0.3
209.11818	2.3
226.49301	0.4
227.03459	0.4
227.07118	0.8
227.12885	18.7
227.16489	0.7
227.20193	2.3
228.13132	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89336	0.4
68.08032	0.3
69.29523	3.6
71.05016	0.6
80.02668	2.3
81.03450	1.5
83.05020	7.1
84.02167	3.3
95.05022	0.7
97.06577	0.6
115.72724	0.3
125.06116	0.5
125.09709	0.4
133.99686	0.4
135.08154	1.1
147.11809	0.5
151.08929	0.4
163.11284	5.6
165.12846	4.2
170.11124	0.3
181.12390	0.7
181.48183	0.3
183.13904	0.9
191.10728	1.3
201.84738	0.4
209.11827	100.0
210.12163	4.9
227.03229	0.4
227.07184	0.8
227.12926	2.8
227.20197	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	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.89336	0.4
68.08032	0.3
69.29523	3.6
71.05016	0.6
80.02668	2.3
81.03450	1.5
83.05020	7.1
84.02167	3.3
95.05022	0.7
97.06577	0.6
115.72724	0.3
125.06116	0.5
125.09709	0.4
133.99686	0.4
135.08154	1.1
147.11809	0.5
151.08929	0.4
163.11284	5.6
165.12846	4.2
170.11124	0.3
181.12390	0.7
181.48183	0.3
183.13904	0.9
191.10728	1.3
201.84738	0.4
209.11827	100.0
210.12163	4.9
227.03229	0.4
227.07184	0.8
227.12926	2.8
227.20197	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	227.0924
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
59.01389	0.5
64.74252	0.3
71.41425	0.6
72.99310	100.0
73.99652	0.9
75.00876	3.1
83.14307	0.4
91.13866	0.4
93.74866	0.3
97.02956	0.9
109.06637	0.5
122.03780	0.7
125.06105	0.4
129.93349	0.4
137.06100	0.8
138.06868	1.2
139.07649	2.8
143.04984	0.6
151.07629	4.2
152.04840	0.5
152.08430	4.8
153.09157	1.2
165.09215	4.9
165.12857	0.5
171.04535	1.0
183.13890	0.5
190.27020	0.4
199.03998	1.9
209.08199	2.4
211.04105	0.7
227.03519	7.0
227.07314	1.6
227.09238	32.5
227.12836	0.9
227.20160	1.4
228.04187	0.9
228.09512	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01713	0.8
69.75295	2.4
81.03463	0.8
95.05034	1.1
97.06586	4.0
109.06589	0.6
111.67260	0.5
119.05009	0.8
135.08195	2.0
147.08150	3.0
165.09258	1.5
181.12357	1.0
181.22546	0.5
225.11316	30.4
226.11714	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75184	0.4
59.01382	100.0
60.01735	0.8
67.18308	0.5
70.54230	1.3
81.03459	0.6
95.05035	0.7
97.06605	3.0
100.50518	0.5
135.08160	2.0
147.08147	3.1
151.11205	0.6
152.08362	0.7
163.11331	0.5
165.09222	1.5
181.92668	0.5
207.10184	0.7
225.11310	28.0
226.11694	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	225.161
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
52.18325	0.5
57.03448	1.0
59.01383	2.7
69.03436	0.7
70.07485	2.2
72.04549	3.2
77.03953	1.5
81.02974	0.8
81.03459	15.6
83.05029	80.2
84.05370	1.4
93.03474	3.4
94.06649	0.6
95.01424	0.8
95.05033	3.7
96.96013	1.4
105.03461	7.5
107.05022	1.5
108.04556	0.7
109.02945	1.3
113.97022	0.4
119.05045	0.7
121.02968	3.0
123.00875	0.5
123.04519	1.6
125.07229	3.7
126.90522	1.1
137.02484	3.4
137.06149	0.6
137.09792	0.5
138.05629	1.1
139.04012	0.5
141.86961	0.5
143.08282	2.9
145.08789	0.7
149.02441	3.0
151.00404	0.7
153.09151	0.6
154.12393	14.4
163.04051	0.5
163.11282	0.8
164.91687	0.4
165.01945	1.4
166.12350	0.5
166.99799	0.6
178.83359	2.8
180.04231	0.7
180.10297	1.9
181.05040	1.2
181.08698	0.5
182.11847	7.7
195.02963	1.7
198.03217	1.8
207.02925	0.5
207.10353	0.7
207.15024	10.3
210.05305	1.6
224.80379	1.2
224.82555	0.4
224.90668	0.6
225.02248	0.9
225.03934	1.5
225.05557	2.9
225.07697	2.2
225.11525	3.2
225.16089	100.0
226.02643	1.0
226.05954	0.6
226.10864	6.6
226.16376	5.2
233.13712	0.4
239.75594	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	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
56.16606	1.0
57.03445	1.5
58.94983	1.0
59.01380	6.6
59.45662	1.1
61.35266	1.1
64.37911	1.0
69.03449	8.0
69.67445	2.0
69.67847	6.1
71.01385	1.4
71.05004	2.3
71.32809	1.4
79.82586	1.0
85.06561	2.1
98.19826	1.7
109.06594	3.0
124.64849	1.2
135.11705	1.3
149.09709	1.6
165.01959	1.6
166.06332	1.3
167.10757	11.5
179.10750	4.4
179.14429	8.9
193.01402	5.3
195.13893	30.7
196.14204	1.6
205.12329	23.0
206.12665	1.4
208.03751	8.9
223.02843	2.8
223.06122	4.3
223.13388	100.0
224.13736	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	223.0612
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
57.03487	0.9
59.01390	4.6
59.93547	0.7
67.01929	1.1
69.33377	7.4
71.01409	1.7
72.99324	0.7
73.02943	0.7
79.95772	1.1
83.01407	0.9
85.02998	1.3
89.02441	0.7
93.03458	10.9
95.01398	1.1
95.22335	0.7
96.96040	0.8
109.03011	2.9
115.64182	0.7
119.01400	0.8
119.05064	2.8
121.02955	18.9
123.00935	2.8
123.04565	1.2
135.04501	9.3
135.05304	0.7
135.08208	1.7
135.09309	2.3
137.02425	5.7
140.54378	0.7
149.02437	46.0
150.02829	1.8
151.04031	1.7
152.01169	13.6
161.09785	0.8
163.04027	14.2
164.04791	24.4
165.01926	18.0
167.03481	3.1
169.05054	8.1
176.83734	2.0
179.07101	13.0
179.08253	0.9
179.10655	0.9
181.05025	1.0
193.01410	77.3
194.01741	3.0
207.02954	1.6
208.03757	100.0
209.04073	3.7
223.06102	51.9
223.08006	3.0
223.13280	1.8
224.04622	1.5
224.06493	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	221.1546
Annotation	Kobusone
Peak:m/z	Relative Intensity
55.09692	0.1
59.01381	0.7
71.01353	0.3
87.00884	0.6
98.20630	0.3
99.97047	0.2
113.02428	0.3
119.66656	0.1
127.07671	0.7
140.80939	0.1
148.05321	0.4
149.05989	0.5
151.07626	0.3
164.08418	1.9
165.09175	0.2
205.12332	1.7
206.12675	1.1
207.13911	1.4
220.14690	4.1
221.15453	100.0
222.15800	6.7
235.13513	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	221.0666
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
54.23476	4.2
59.01383	100.0
71.01395	43.2
73.02953	52.9
82.35736	4.0
83.01389	8.8
85.02963	12.4
89.02435	6.8
97.66779	4.0
101.02447	24.3
108.55292	3.8
113.02462	30.2
127.75988	4.2
131.03522	8.2
160.23785	4.0
191.86597	3.9
197.69391	4.2
242.83153	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	221.0818
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
50.95174	0.9
59.01387	1.8
63.09756	0.8
69.03458	47.9
70.03828	1.0
71.05024	100.0
72.05339	1.0
75.02402	3.5
83.89640	0.9
85.02943	1.0
89.53428	1.1
93.03468	3.4
98.19911	2.5
107.05035	3.8
121.02961	50.5
122.03300	2.0
127.95805	1.3
129.84406	1.0
134.03740	18.4
135.04518	1.5
147.00887	10.6
147.08134	3.2
149.09740	10.8
165.01909	2.1
177.09215	16.2
190.99857	2.9
193.08714	2.1
221.08241	24.7
222.08461	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	221.0455
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
55.01880	12.5
59.01389	2.9
60.64298	0.4
68.21114	0.6
71.01392	1.2
73.02963	0.9
74.02472	1.1
75.43615	0.5
87.00882	0.8
99.19485	0.5
101.02488	0.8
113.02430	1.1
115.05536	1.0
131.05042	8.3
132.05293	0.6
133.06604	100.0
134.06958	4.5
159.04524	11.8
177.05531	3.6
182.30994	0.6
203.03488	3.4
221.04562	6.3
221.06642	1.3
221.11829	1.5
222.07713	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	219.9776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.3
61.98833	100.0
62.24457	0.2
65.80142	0.2
69.76682	1.3
71.01389	0.4
73.02948	0.3
85.02950	0.3
87.00897	0.6
98.20563	0.4
101.02473	0.4
113.02450	0.5
142.65462	0.2
146.86621	0.2
151.30653	0.2
159.97343	0.2
160.84212	1.1
177.96732	0.5
177.98816	0.3
178.98602	1.7
190.99806	0.2
206.02182	0.3
206.09636	0.2
219.17522	2.6
219.85646	0.3
219.97771	3.3
219.99779	0.2
220.17923	1.7
220.99603	1.6
221.04767	0.3
221.06691	0.9
221.11842	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	219.0774
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
50.12743	1.1
70.90771	1.0
70.91109	2.7
72.00913	15.5
74.02476	30.6
78.53503	1.0
84.03808	1.0
86.02480	9.8
95.81104	1.0
116.05070	2.9
118.06634	3.6
124.26801	1.0
128.05049	1.4
130.06631	4.8
131.03807	6.3
132.04559	100.0
133.04893	3.5
144.04555	78.6
145.04811	2.8
146.06114	1.4
148.07643	1.0
157.07713	46.7
158.06100	17.7
158.08064	1.9
175.07309	2.3
175.08769	29.1
201.06712	5.9
202.05104	1.7
219.07748	93.3
219.17500	14.3
220.08051	3.9
221.81573	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	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38640	0.4
59.01384	100.0
60.01702	0.7
61.98841	0.8
70.04009	2.0
84.55664	0.4
88.04045	1.1
90.97160	2.0
98.19916	0.6
118.96676	1.0
132.98216	2.9
165.03864	0.4
173.06003	0.4
174.99248	28.6
175.99480	0.8
217.00299	23.7
218.00699	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	218.1034
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.37711	0.5
59.01368	1.9
64.59071	0.4
71.01389	11.5
71.05025	16.6
71.17204	0.8
72.00901	0.7
88.04045	100.0
89.04382	1.1
96.50977	0.5
99.04521	5.4
114.05530	0.4
114.41238	0.5
116.03585	0.4
116.07180	3.1
129.05611	0.9
146.08238	49.3
147.08669	1.1
218.10333	22.8
219.10654	1.1
219.17537	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	219.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41792	1.0
57.03442	4.7
59.01377	52.4
65.03454	1.2
68.26336	1.0
68.99806	2.4
69.03458	4.0
69.44000	4.9
69.44431	4.2
71.01384	47.5
72.99303	1.4
73.02929	2.7
75.00877	1.6
83.01377	4.7
85.02953	14.6
87.00878	20.7
89.02443	5.8
98.19914	2.4
99.00883	100.0
99.10670	1.1
100.01174	1.7
101.02423	2.8
111.00875	3.5
113.02451	13.0
115.00373	2.6
117.01941	13.1
123.00916	1.3
129.01900	1.4
131.03525	1.1
141.01936	11.4
159.02968	3.3
189.12859	1.5
190.06378	1.4
193.33060	1.2
219.02844	1.7
219.04863	1.5
219.10275	4.6
219.14159	2.7
219.17525	49.0
220.17949	2.2
237.62943	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	215.1148
Annotation	N-Acetyl-L-arginine
Peak:m/z	Relative Intensity
56.31036	1.0
58.02972	16.0
58.04101	6.0
59.01386	2.7
61.90003	1.2
69.57132	1.1
71.01394	2.3
71.64751	1.5
72.04539	5.6
83.06156	1.9
98.02502	1.6
112.07710	2.9
112.08849	3.9
114.05688	2.1
129.10361	22.1
129.11313	2.0
130.65451	1.2
131.08270	100.0
132.08601	1.5
140.19215	1.2
143.11937	4.7
144.00940	1.3
154.09862	2.2
155.08203	1.2
156.07820	5.9
169.09819	2.3
171.11404	2.8
172.97725	1.9
173.09334	59.3
173.10529	31.6
174.09657	3.1
186.99298	4.1
198.08847	5.5
214.98775	4.6
215.01042	13.3
215.11540	40.9
216.01437	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	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01726	0.5
65.50504	0.4
67.68105	0.4
71.18514	1.0
76.38708	0.4
78.81763	0.4
86.50539	0.5
90.97169	1.2
96.66331	0.4
132.98170	2.9
174.99242	27.4
187.07471	0.4
202.89862	0.6
217.00294	26.3
218.00653	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	213.0769
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
56.48512	0.7
57.97551	1.7
59.01380	1.3
67.05532	10.0
69.03458	3.2
69.63251	1.9
69.63663	2.9
71.01386	2.2
72.99311	15.0
84.02139	1.0
85.02953	1.3
93.03458	1.1
97.06591	1.3
105.07066	0.9
107.08678	4.1
121.06649	0.8
123.08167	24.5
124.08488	1.6
125.09737	2.8
133.06587	1.1
134.00705	21.8
141.09207	0.7
150.00204	3.6
151.07649	21.2
152.07922	0.8
167.07124	1.3
169.08702	100.0
170.09058	3.6
195.06598	1.0
213.07664	9.2
213.11267	1.2
213.18607	0.9
213.96362	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	214.1086
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
53.58961	0.4
55.01892	1.2
56.21138	0.5
57.03440	3.0
59.01382	0.8
66.03474	0.4
71.01409	0.7
71.65926	0.8
72.00906	0.5
72.04549	24.3
78.69250	0.4
79.82243	0.4
79.95792	0.4
80.77781	0.4
82.02962	0.4
82.06627	1.8
83.01402	2.0
86.02490	2.2
92.05071	1.8
109.06573	0.7
109.84884	0.4
111.04680	0.4
114.09206	0.6
116.05089	2.7
121.11301	0.4
122.89391	2.2
125.09760	0.6
126.09241	0.5
140.10823	6.6
142.06653	0.8
142.12375	100.0
143.12758	3.5
144.00926	1.1
153.05588	0.5
153.09209	1.4
168.10300	42.8
169.10675	1.7
170.11867	46.2
171.09242	1.6
171.10602	0.5
171.12234	2.6
172.09731	1.1
186.11455	0.9
186.89764	1.2
197.08157	0.6
214.10846	36.0
215.00961	7.7
215.09161	3.4
215.11191	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.50480	0.4
57.03445	0.4
71.66345	0.5
80.64234	0.3
81.03448	1.8
90.41015	0.4
91.05469	0.4
95.01391	0.6
95.05001	0.9
97.06587	12.0
109.02957	0.7
109.06593	1.0
122.74622	0.4
165.12863	5.1
167.14417	11.4
168.14725	0.5
193.12312	3.3
196.03796	0.4
211.13390	100.0
212.13724	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01367	1.1
61.98816	0.5
69.03455	0.9
71.36948	1.0
78.26918	0.4
83.05009	0.7
95.01394	0.9
100.16105	0.4
123.00851	0.5
123.04539	1.0
155.10764	0.6
165.12833	1.0
167.10796	2.4
167.14394	1.5
181.01266	0.5
183.13896	14.0
184.14253	0.8
185.92503	0.4
193.12340	3.8
196.03792	0.6
202.14304	0.4
211.13391	100.0
212.13728	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	211.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
57.29980	0.1
59.01393	0.9
60.09761	0.2
65.11880	0.1
67.01884	0.2
69.81742	0.3
69.82144	0.7
72.99274	0.2
81.03454	0.5
83.05019	0.2
87.90881	0.1
93.03468	0.4
95.01372	0.3
95.05032	0.2
96.96025	0.3
97.02946	0.3
97.06600	0.3
101.06761	0.1
102.26764	0.2
108.02203	0.8
109.02970	0.9
111.00848	0.3
111.04525	0.3
121.06564	0.2
123.00889	0.9
123.04525	0.7
123.08183	0.2
124.01682	0.8
133.03024	0.2
134.03767	0.2
135.03632	0.2
135.04507	1.0
135.08156	0.6
136.01653	1.4
137.02444	100.0
137.09700	0.6
138.02766	3.1
139.03983	0.3
141.09152	0.2
148.01646	0.2
149.06085	0.2
149.09721	0.4
152.01154	0.3
153.05553	0.4
161.02361	0.2
163.03925	0.2
164.01115	0.3
167.06107	0.3
167.10774	2.1
181.01465	0.6
181.05083	0.4
183.04521	0.3
192.31172	0.2
193.05052	1.1
196.03790	0.8
210.03258	0.2
211.02315	0.3
211.04041	1.9
211.06133	1.1
211.07904	0.2
211.09749	2.7
211.13301	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	209.9491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28162	0.1
59.01374	0.2
61.98833	100.0
65.44833	0.1
70.83142	0.4
70.96899	0.1
85.43452	0.1
124.04031	0.6
163.95677	0.2
164.96394	0.4
165.41060	0.1
166.91039	0.2
183.83525	0.1
203.07990	0.2
209.94904	28.4
210.95010	1.9
211.13474	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	210.0408
Annotation	Betalamic acid
Peak:m/z	Relative Intensity
54.66947	0.8
59.01392	4.2
61.98831	9.8
64.01926	1.2
71.61758	1.0
77.03992	0.8
78.95927	1.1
94.02995	3.9
95.01418	0.9
95.97609	1.8
96.96047	0.8
103.04289	2.4
104.05067	37.1
105.05415	1.4
105.58829	0.8
108.02185	1.9
114.57971	0.7
120.04555	7.3
121.02961	2.4
122.02494	1.1
122.03312	1.1
122.06124	1.9
123.00853	0.8
123.04526	1.0
124.04060	8.8
125.04416	0.9
129.05516	1.0
130.08742	1.8
136.01674	1.7
137.02441	0.8
145.87328	1.0
148.04053	58.7
149.04372	1.8
151.04001	2.6
152.01080	1.3
153.05589	2.8
163.04039	1.6
166.05096	100.0
167.05417	3.3
181.05075	1.4
196.03748	0.9
202.07516	0.9
209.94867	2.9
210.04089	10.5
210.07535	1.9
211.04294	1.7
211.06148	3.5
211.09669	0.9
211.13419	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	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
56.95537	0.4
57.03447	1.8
59.01382	100.0
60.01726	1.1
71.66094	0.8
74.46696	0.4
80.02644	0.4
81.03444	1.2
89.94420	0.4
94.02991	0.5
96.96033	1.2
97.06596	2.3
109.06578	2.5
115.08442	0.5
121.02957	12.9
122.03315	0.5
124.04042	0.9
137.02588	0.6
165.12848	3.0
167.78653	0.4
179.03534	0.6
186.71359	0.5
194.02286	0.6
194.05881	0.5
209.04575	1.6
209.08458	1.3
209.11829	14.5
210.12173	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	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90813	0.5
59.01402	1.2
67.78822	0.5
69.88088	2.9
70.84189	0.5
72.99329	0.8
79.95784	0.6
81.03492	0.5
91.01913	0.5
93.03472	3.9
94.02984	0.8
95.01428	0.6
95.05047	2.8
97.02980	0.8
100.36589	0.5
105.03455	9.3
107.05053	1.0
109.02974	1.1
110.51369	0.5
116.56539	0.5
117.03508	0.7
121.02959	38.9
121.06580	0.5
122.02515	0.6
122.03264	1.1
123.04573	1.2
123.08190	0.5
123.99895	0.5
124.04012	0.9
133.02959	4.7
135.04568	0.7
135.05693	0.5
136.01686	1.0
136.04126	0.7
136.05302	0.7
137.02484	1.2
139.03969	1.2
147.04529	0.9
148.05324	0.7
149.01372	0.5
149.02460	2.8
150.03230	2.3
151.04007	27.2
152.04361	0.6
161.02446	65.3
162.02815	2.5
165.02000	0.7
165.05595	0.9
165.09174	0.9
166.05121	0.7
176.04790	30.0
177.05220	1.1
179.03496	100.0
180.03798	3.9
191.07135	12.1
191.10776	0.9
191.19135	0.5
193.05078	0.6
194.02271	3.2
194.05836	85.9
195.06154	3.5
196.64738	0.5
209.04492	5.9
209.06177	3.9
209.08153	24.9
209.11772	1.5
210.08403	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	209.0665
Annotation	Coriose
Peak:m/z	Relative Intensity
54.91426	0.8
55.01866	3.3
57.03446	8.6
58.00592	5.8
58.26638	0.9
59.01381	100.0
65.75304	0.8
69.03450	1.2
69.52895	7.5
71.01380	47.5
71.09145	0.8
71.16692	0.9
72.99306	7.2
73.02949	3.0
79.59771	0.8
80.96560	1.0
83.01399	6.6
83.05415	0.9
84.02178	2.5
85.02951	25.0
87.00875	12.9
89.02447	34.5
94.95718	1.7
97.02966	1.6
99.00890	2.8
101.02444	48.2
102.02795	0.8
106.07633	0.8
110.89923	2.4
110.92698	1.0
110.93423	3.4
111.00865	3.9
112.98777	1.7
113.02443	4.0
115.00363	1.3
119.03505	18.2
122.52631	1.0
129.01955	13.3
133.01450	1.3
135.02975	1.1
141.02017	1.9
142.99861	6.9
143.03410	1.2
149.04430	1.3
159.02985	3.7
166.92415	3.1
173.00848	1.7
191.05650	0.9
209.04671	1.8
209.06635	30.4
209.99393	2.1
210.07069	1.5
214.01627	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	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98832	100.0
62.98539	0.1
63.99237	0.1
65.20577	0.1
65.55298	0.1
70.82722	0.2
70.83063	0.2
94.75600	0.1
95.92637	0.1
96.54421	0.1
97.17912	0.1
98.20467	0.1
135.00917	0.1
149.02420	0.2
152.03658	0.1
162.98466	1.1
164.89597	0.1
164.96390	0.5
177.01927	0.8
192.00664	0.3
192.04257	0.8
206.97438	6.5
207.06606	0.3
207.97534	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	208.0979
Annotation	Anhalamine
Peak:m/z	Relative Intensity
59.01379	8.1
61.98820	3.3
70.74890	1.4
70.80610	3.9
72.00928	1.5
85.02930	2.6
86.02480	25.9
91.05518	3.7
91.15800	1.6
93.03450	4.5
98.02464	4.6
103.05536	1.6
116.03549	14.9
120.04572	1.9
121.02970	10.2
122.02470	1.8
123.00874	2.0
132.08185	3.3
135.04535	2.4
137.02428	6.4
137.06133	2.0
146.02379	2.7
146.03384	2.7
147.04535	70.2
148.04860	2.1
149.02452	1.7
150.03122	2.0
151.03911	2.0
160.07681	6.3
161.02354	1.6
162.05637	7.9
162.86864	1.3
164.07158	9.2
164.94112	3.2
165.01947	2.2
177.01862	2.4
178.02292	4.1
179.03494	2.8
190.05086	3.7
190.08752	3.2
191.03749	2.0
193.01276	5.4
193.04585	2.0
194.02203	3.4
194.05861	4.5
207.93019	1.5
208.09781	100.0
209.04561	5.4
209.06380	1.9
209.08238	2.5
209.10139	4.1
209.11916	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.25265	0.6
58.02977	36.2
63.13371	0.8
69.49587	5.7
69.79428	0.6
70.02985	13.4
72.00915	6.3
91.05539	11.8
92.05875	0.9
135.04593	1.3
147.04526	40.1
148.04869	2.2
162.09247	1.0
164.07167	100.0
165.07509	4.0
192.04292	0.9
206.08214	34.7
207.08524	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	205.1597
Annotation	beta-Irone
Peak:m/z	Relative Intensity
59.01368	0.1
59.05668	0.1
61.98812	0.2
71.01389	0.1
71.66015	0.1
72.99323	0.1
73.51886	0.1
87.92515	0.1
92.70113	0.1
94.05053	0.1
103.98259	0.1
115.00302	0.1
117.03488	0.1
132.29840	0.1
133.02960	0.2
133.06659	0.1
135.04440	0.1
149.09741	0.1
159.43483	0.1
161.02451	0.5
161.06108	0.2
162.01944	0.1
162.89371	0.7
177.01842	0.1
189.12866	1.8
190.13168	0.1
198.04230	0.1
204.90356	0.1
205.15964	100.0
206.16304	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	205.0504
Annotation	Phellodenol B
Peak:m/z	Relative Intensity
56.90049	0.2
57.64921	0.2
59.01393	0.3
69.37189	0.6
69.37604	0.9
71.01361	0.2
81.75490	0.2
84.22854	0.2
89.03973	0.3
98.19839	0.4
104.69889	0.2
105.03454	0.5
107.05039	0.3
117.03455	0.9
119.13915	0.2
132.02173	1.6
133.02956	29.3
134.03151	1.0
135.04526	9.5
159.04512	0.5
161.02444	100.0
162.02779	4.0
162.89330	0.4
163.04047	0.7
177.05579	2.0
205.05061	5.1
205.07011	0.3
205.12285	0.2
205.15987	1.4
206.05389	0.2
207.81573	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.2
56.37926	2.9
57.03443	12.5
59.01379	74.9
60.60812	2.8
60.99301	9.3
61.98833	19.5
67.01897	7.1
68.99836	14.9
71.01380	100.0
71.08173	6.0
72.99311	73.6
73.02947	19.6
73.08685	2.8
75.00874	50.2
83.01388	32.6
85.02956	23.3
87.00877	39.9
88.98814	4.5
89.02434	13.3
94.95720	3.9
96.99309	4.5
99.00886	51.3
100.98785	8.5
101.02442	15.4
103.00347	3.9
104.91292	3.5
111.00871	42.0
111.10854	3.3
112.98811	80.6
115.00370	80.8
117.01950	11.9
124.98814	9.6
125.02430	6.4
127.00406	6.9
129.01961	29.8
130.08693	7.4
131.09033	3.5
133.01457	5.5
136.66826	3.2
142.99875	17.2
145.01442	21.8
145.02544	4.2
145.05077	10.6
154.99849	13.3
157.01344	4.4
158.70091	2.9
161.02466	4.4
161.06114	5.6
162.89310	6.4
163.11272	7.2
170.17796	2.9
173.00917	9.1
175.02484	6.6
187.06160	4.2
205.01422	5.5
205.03368	4.0
205.05064	7.4
205.07010	5.6
205.08791	6.9
205.12349	9.4
205.15929	43.3
206.04439	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.9
57.03443	8.9
58.00589	3.1
58.02966	5.2
58.87085	2.0
59.01089	4.5
59.01379	76.7
60.99301	4.3
67.01884	6.3
68.99815	11.9
70.86606	4.3
71.01386	100.0
71.05014	2.3
72.99310	58.7
73.02954	25.3
75.00879	38.6
81.03436	1.9
83.01391	15.6
85.02962	13.6
87.00875	57.1
88.04028	2.2
88.98837	2.4
89.02446	8.1
96.99316	6.6
97.06596	2.3
99.00881	42.6
99.04510	3.0
100.98791	2.3
101.02448	22.4
102.02836	2.9
103.00379	6.5
111.00877	68.6
112.98810	50.3
113.02425	3.7
113.03601	2.8
114.02003	2.5
115.00372	96.5
117.01946	16.3
118.03356	2.5
121.02874	2.3
124.98813	13.3
125.02435	12.5
127.00410	10.5
128.89211	2.9
129.01947	23.4
130.08737	4.7
130.88916	10.8
131.04597	4.2
133.01427	2.4
133.02965	4.0
134.58846	2.0
142.99886	20.4
143.07126	8.7
144.95459	3.3
145.01411	22.3
145.05045	10.9
145.06190	6.2
146.86691	7.4
147.02899	2.5
154.99864	20.3
157.01408	4.3
161.02432	2.4
169.01421	3.0
173.00899	11.2
175.02502	7.7
187.02431	2.5
187.06006	2.3
187.97830	5.6
204.99361	5.1
205.01231	4.6
205.03421	5.1
205.05174	4.3
205.07167	5.1
205.09027	7.0
205.15891	5.7
205.98882	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	204.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93737	0.2
60.59911	0.2
69.56282	2.2
103.28687	0.3
116.05070	4.9
117.03427	0.3
117.05408	0.4
133.02943	0.7
144.04552	60.3
145.02969	0.4
145.04903	3.0
146.06104	0.5
161.02458	1.7
161.06064	1.1
161.89352	0.3
172.04041	100.0
173.04359	4.8
175.07596	0.3
176.04411	0.6
187.11572	0.3
191.74167	0.3
204.03671	0.4
204.06700	0.4
205.05098	0.6
205.12331	1.8
205.15958	1.0
210.74461	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	203.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
66.72026	0.6
69.86454	2.7
72.00913	24.5
74.02480	33.9
96.28400	0.7
98.19807	0.7
116.05069	100.0
117.05393	4.3
123.24818	0.7
129.05891	0.6
130.06641	2.4
142.06631	27.2
142.07744	1.6
143.06984	1.5
157.07744	1.6
159.09286	17.2
161.04881	1.1
176.36496	0.7
186.05536	4.1
203.08263	55.5
204.08556	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	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73321	0.1
59.01383	5.2
60.01715	2.2
61.01814	0.8
61.98832	100.0
62.98537	0.1
70.98691	0.2
76.21651	0.1
85.89935	0.1
93.21909	0.1
113.20248	0.1
160.03754	0.2
170.41159	0.1
175.99629	0.2
204.00121	0.5
204.02660	0.7
205.16051	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	203.0827
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.94651	0.7
64.72935	0.8
69.79071	4.8
72.00910	24.4
72.68991	0.9
72.83204	0.8
74.02479	27.7
98.19917	1.4
116.05066	100.0
117.05396	4.0
130.06633	3.2
142.06625	27.9
143.06952	1.5
143.66446	1.1
157.07704	0.8
159.09276	24.2
160.09668	1.2
161.04837	1.3
186.05614	4.4
203.08261	96.3
204.08626	4.2
214.02846	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	203.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69876	1.0
57.03437	2.0
59.01379	100.0
60.01722	0.9
69.03452	3.9
69.43955	4.9
69.44378	2.6
71.01379	14.9
72.99281	1.1
73.02934	3.9
81.03438	1.9
83.01392	2.3
85.02946	7.0
87.00883	1.8
87.04504	1.7
89.28735	1.0
95.01388	0.8
97.02958	4.0
99.00875	1.4
99.04518	0.9
101.02448	4.0
103.92034	2.3
111.00896	0.8
113.02435	3.8
115.00326	0.9
117.53313	0.8
119.05038	1.2
121.53412	0.7
125.02447	3.7
129.01938	1.0
130.94417	1.0
131.05023	1.3
131.70993	0.8
143.03465	1.8
146.03728	1.9
147.04497	1.4
148.95358	1.7
155.03590	0.9
159.04494	3.3
160.89297	1.7
161.89429	1.0
174.03206	6.6
175.04019	4.2
175.07640	2.3
202.94203	1.3
203.01979	1.8
203.03496	5.1
203.05539	3.1
203.07118	4.5
203.10777	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	203.0351
Annotation	Droserone
Peak:m/z	Relative Intensity
50.96581	0.3
51.45517	0.3
59.01384	0.6
66.83452	0.3
74.02464	0.3
85.02952	0.4
101.03992	0.9
103.05553	0.7
116.05087	0.6
119.05029	17.0
129.03467	7.9
130.04259	3.8
130.94406	0.4
131.05017	0.9
133.02997	0.7
145.02965	2.2
146.03740	4.1
147.04524	32.0
148.04900	1.2
157.02939	1.6
158.03731	4.5
159.04456	0.7
160.01698	0.3
173.02423	1.5
174.03220	16.9
175.04001	100.0
176.04349	5.1
201.01869	0.3
202.02831	0.7
203.03499	70.2
204.03822	3.1
206.98695	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	203.0349
Annotation	Paniculal
Peak:m/z	Relative Intensity
55.66200	0.2
59.01378	1.9
68.99778	0.2
69.03458	0.3
69.56611	0.7
69.57042	0.8
71.01391	0.6
85.02932	0.4
87.00854	0.3
87.04508	0.3
91.05538	0.5
95.05036	0.3
97.02977	0.7
98.20676	0.4
101.03954	1.1
102.04763	0.3
103.05541	1.1
103.92022	0.3
113.03923	0.3
115.00404	0.2
115.05536	0.8
116.05099	0.4
117.03505	0.4
119.05027	15.3
120.05370	0.5
121.06612	0.4
129.03468	7.2
130.03346	0.4
130.04254	5.5
131.05032	4.0
132.60619	0.2
133.02942	3.1
141.03438	0.4
141.09200	1.2
143.07132	4.1
145.02965	2.1
146.03741	5.3
147.04520	48.5
148.04849	2.3
154.87158	0.2
157.02943	1.1
158.03732	7.3
159.04514	33.4
160.01633	0.4
160.04869	1.3
160.89270	0.3
161.02449	0.3
173.02498	1.4
174.03215	14.3
175.03998	100.0
176.04349	4.7
185.08226	0.3
186.03227	0.5
201.01979	0.3
202.02760	0.8
203.03493	78.7
204.03857	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	203.0197
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
57.03441	3.4
59.01368	3.5
60.99306	2.3
67.01878	2.5
69.03455	75.8
71.01382	51.2
71.34824	2.3
72.99305	8.0
74.02470	1.1
75.00871	4.7
75.52700	1.3
79.01904	11.2
83.01393	2.2
85.02950	10.2
87.00883	12.8
88.04037	2.3
93.76873	1.0
95.01378	9.6
97.02953	100.0
98.03291	3.4
99.00888	3.3
103.92038	1.9
106.74817	1.1
111.00882	3.6
113.02441	3.6
115.00362	9.9
115.04027	1.6
123.00859	5.3
125.02468	1.4
128.94600	1.0
129.01974	6.7
141.01939	25.9
141.05568	2.1
142.84264	1.3
143.07088	1.3
148.95653	1.1
158.08215	1.2
159.03011	2.7
160.89278	2.4
161.08249	2.2
166.83316	2.1
175.03889	1.4
203.01965	93.1
204.02213	2.5
204.08804	2.4
220.84734	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	201.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84735	0.8
55.01874	3.4
57.03442	4.1
59.01380	81.9
65.70164	0.8
68.99819	2.8
69.03453	3.1
71.01383	9.2
71.63086	1.0
71.63477	0.9
72.99280	0.8
73.02948	15.1
75.00869	3.4
78.89058	0.8
83.01379	9.8
85.02952	13.3
87.00879	5.3
95.01394	3.1
97.02946	2.4
99.00882	11.5
101.02439	8.6
111.00884	45.9
113.02436	12.0
113.25716	0.9
117.03470	1.0
125.02458	1.2
127.00317	1.5
129.01945	16.1
139.11278	1.8
141.01933	8.7
143.03465	1.5
146.80058	0.8
153.01936	2.0
154.22435	0.9
159.02989	100.0
159.89320	1.1
160.03326	2.7
173.06094	1.3
201.04041	20.2
201.05669	2.8
201.09442	1.4
201.11324	5.0
201.14952	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	201.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
57.03452	4.4
58.20650	1.0
59.01378	100.0
65.53134	1.4
68.99812	2.2
69.03464	5.5
69.35960	2.8
69.36366	9.4
71.01377	10.5
73.02943	12.4
75.00874	9.5
78.10258	1.3
83.01382	8.9
83.15438	1.1
85.02943	15.7
87.00890	8.9
87.04485	1.6
95.01402	1.7
97.02948	4.0
99.00877	9.6
101.02435	8.2
111.00881	30.1
111.11885	1.1
113.02444	9.1
123.00863	1.1
125.02453	3.9
127.00349	1.2
129.01927	11.4
139.11288	1.5
141.01941	4.9
143.03477	2.6
145.03006	1.2
153.01971	1.9
159.02994	86.0
159.63768	1.1
160.03307	2.2
173.06039	1.3
186.06966	1.1
192.44685	1.1
201.00098	1.3
201.02119	1.8
201.04027	20.1
201.05595	1.0
201.11314	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	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80093	0.3
58.02952	0.3
59.01382	100.0
60.01716	0.7
61.33365	0.3
61.98837	3.6
68.99834	0.4
69.03462	0.5
71.01390	1.4
71.57265	0.6
72.99297	0.4
73.02967	0.7
75.00870	0.3
81.03482	0.5
85.02995	0.7
85.06558	0.3
87.00876	0.7
88.04041	5.8
95.01406	0.7
95.05050	0.6
97.02961	0.4
99.00923	0.5
99.92575	0.7
100.04025	0.4
103.04020	0.4
113.02461	0.9
113.06081	0.3
117.00470	0.6
117.85629	0.3
123.00853	0.8
125.09721	0.3
130.08711	0.6
131.08266	0.6
139.07661	0.7
139.11256	0.4
141.01973	2.9
141.86821	0.6
141.93654	0.6
145.03021	0.4
156.07788	0.6
157.03569	4.2
157.07658	0.8
157.08786	0.6
157.13466	1.3
158.99736	0.8
159.01492	3.4
159.02798	0.5
159.89322	0.4
172.97638	0.5
174.99278	0.5
175.02771	0.8
176.00685	0.5
200.32109	0.3
200.90544	0.6
201.00830	0.8
201.02539	11.0
201.04245	0.6
201.05722	1.2
201.07703	1.1
201.12564	3.6
202.02847	0.6
202.05109	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01719	0.8
66.18847	0.3
70.68771	0.5
70.69148	0.6
113.04609	0.3
115.02525	0.3
116.58889	0.3
117.00436	0.3
139.24002	0.2
150.22020	0.3
152.51015	0.3
157.03568	6.6
159.01497	2.6
201.02541	13.1
202.02751	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	200.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	1.1
59.01380	100.0
61.98831	42.9
64.12880	0.7
66.03510	0.8
69.03470	1.1
69.78373	0.6
70.02989	3.3
70.85203	1.9
71.01386	10.9
72.01742	0.9
72.04517	1.1
72.99312	3.1
73.02937	0.8
75.00877	1.7
82.03006	0.9
83.05032	1.7
84.04539	4.5
85.02943	1.9
86.02477	1.1
87.00903	0.8
87.92525	0.7
88.04047	5.1
92.05066	1.2
93.03474	0.7
94.02965	1.5
94.06643	1.4
95.01377	0.7
95.05019	6.8
95.66450	0.6
96.04554	2.2
97.01704	0.8
98.02471	12.2
98.19759	0.9
99.00921	0.9
103.92036	2.5
108.04578	3.8
110.02479	19.7
110.06094	4.4
111.00967	0.7
111.04507	2.8
112.04052	9.7
112.07684	5.5
113.06091	1.6
118.00610	0.7
119.00224	0.7
123.03259	2.2
123.94612	1.3
124.04076	3.8
126.05594	3.4
128.03557	3.8
128.07155	0.7
130.00531	1.0
130.04187	1.8
132.02240	0.9
133.01704	0.8
136.04050	6.9
138.05594	10.9
139.04019	0.9
141.01942	2.1
144.98203	0.8
150.33849	0.7
154.05110	19.4
155.03464	2.9
156.03067	1.1
156.06644	16.4
156.07886	0.9
157.03545	3.8
157.04947	1.3
158.00034	3.7
158.99649	1.7
159.01482	3.3
162.83882	3.2
164.83594	2.8
172.01628	4.8
172.06102	1.8
172.97684	4.3
173.01259	1.6
173.02991	2.0
174.03198	29.4
175.02742	10.0
182.04596	23.7
182.06233	1.0
199.80498	2.1
199.85057	1.7
200.01225	12.1
200.05623	66.7
200.97188	1.2
201.00745	2.8
201.02512	10.7
201.04243	1.1
201.05875	2.3
201.07654	1.2
201.12595	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	199.0614
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
55.01864	5.0
57.03444	3.0
59.01380	71.0
63.97783	1.3
68.99823	2.8
69.03468	11.7
69.77290	7.9
71.05001	2.2
81.03471	14.1
83.01388	4.2
93.03467	7.5
95.05025	28.4
97.02956	32.5
99.00883	2.5
99.04544	1.7
109.02957	2.5
109.06573	9.7
111.08160	10.6
128.69225	1.6
137.06076	13.7
139.04013	100.0
140.04384	2.0
154.05380	5.4
155.06099	6.7
155.07147	22.0
189.37247	1.4
199.06117	91.7
199.13336	1.9
199.17033	2.0
200.06445	1.8
201.02878	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	199.0976
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
57.03441	1.2
59.01385	0.5
67.05525	1.0
69.03458	17.2
71.01391	2.4
71.05037	0.7
72.99311	17.1
75.00883	0.6
83.05041	1.0
85.02937	0.6
95.05061	0.7
105.07098	0.9
107.08674	8.6
109.06607	0.6
111.04482	0.8
113.02425	1.1
119.05052	0.5
119.08667	1.6
119.18275	0.5
123.08160	6.3
125.09744	1.3
133.06593	2.1
135.08185	2.0
137.09755	0.8
151.07622	1.2
153.09201	5.6
155.10855	0.7
156.89404	0.6
163.07625	1.6
169.08687	4.8
181.08707	12.9
189.40813	0.5
199.09755	100.0
199.16951	3.2
200.10115	4.1
207.00291	0.5
217.22208	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.71178	0.6
53.09758	0.6
55.01877	0.7
59.01376	1.5
59.14474	0.6
60.40449	0.6
60.79099	0.6
65.00331	0.8
69.03462	0.7
71.05027	1.3
72.99308	2.2
81.03426	1.1
83.05052	0.7
95.01401	2.0
97.02978	0.9
97.06593	15.5
99.08153	3.3
108.02116	0.7
109.02943	1.3
111.04503	0.7
121.02962	2.9
122.03763	3.0
123.00874	8.2
123.04516	2.1
125.02460	1.9
125.09745	0.8
126.90510	5.0
127.16996	0.6
135.04546	1.9
135.08188	0.6
137.02438	1.3
137.09724	2.4
138.03259	2.4
139.07637	0.7
147.38037	0.6
151.11301	1.5
153.01936	1.0
153.05595	2.3
153.12854	100.0
154.13184	4.4
160.84212	9.5
161.84329	0.8
162.83913	28.0
166.99896	6.6
178.99873	1.2
179.03560	1.9
179.10773	23.2
180.01743	1.3
180.11151	1.1
182.02205	13.0
196.91113	1.2
197.02147	3.3
197.04546	4.3
197.06111	0.7
197.08214	1.7
197.09912	1.2
197.11792	11.9
197.15466	1.3
197.80791	15.4
219.65770	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	Unknow
Peak:m/z	Relative Intensity
52.84505	0.6
54.84530	0.5
57.74698	0.5
61.42610	0.6
62.35296	0.5
68.89081	0.5
70.87470	0.5
71.65170	0.6
71.70670	0.6
72.99307	100.0
73.99628	0.7
81.03454	0.6
81.06271	0.6
83.05034	0.6
83.77631	0.5
91.05526	0.9
93.03471	1.6
95.01375	1.1
95.05031	1.7
103.55117	0.5
104.31866	0.5
107.05076	3.1
108.02225	0.7
109.02946	5.2
117.03463	0.9
121.02927	1.1
122.03732	1.2
123.00915	1.9
123.04524	69.5
124.04860	1.7
126.90520	1.2
134.03745	8.0
134.94571	0.8
135.04523	86.1
136.04877	3.0
144.91751	0.6
151.04007	3.3
153.05594	1.3
153.09148	1.1
160.84235	0.8
162.83856	1.3
166.99850	1.8
170.30473	0.6
178.44614	0.6
179.03493	44.2
180.03859	1.4
182.02214	2.7
197.04535	14.6
197.08147	0.6
197.11809	2.4
197.80801	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	197.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75201	2.3
72.99310	100.0
73.99667	0.9
74.45730	0.3
81.03452	0.4
83.05021	0.4
91.05532	1.3
93.03474	1.1
95.05022	1.8
98.20576	0.8
107.05027	3.5
108.02194	0.9
109.02944	4.0
109.92651	0.3
117.03489	1.1
121.03017	0.4
122.03750	1.5
123.04529	68.7
124.04852	1.7
134.03745	8.4
135.04529	91.5
136.04849	2.9
150.03273	0.9
151.03986	3.5
153.05513	0.4
176.67116	0.4
179.03497	46.7
180.03851	1.7
197.04550	14.1
198.04935	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	197.0455
Annotation	Syringic acid
Peak:m/z	Relative Intensity
53.74185	0.3
62.12640	0.4
63.02392	1.2
63.83484	0.3
65.00323	1.4
67.01907	0.7
68.99811	0.4
69.29853	3.7
72.99324	0.5
77.65406	0.3
78.01096	0.9
83.01392	1.3
89.00330	9.3
91.01896	4.4
92.99843	0.4
95.01385	3.4
99.00851	0.4
106.00602	9.9
110.00053	0.5
111.00224	0.4
111.00850	2.0
117.39520	0.3
121.02954	100.0
122.03290	3.4
123.00880	18.5
127.00366	2.2
127.64517	0.4
131.67461	0.4
136.98863	1.7
137.02466	0.7
138.03230	7.3
139.00381	3.0
139.03996	0.4
141.01952	0.4
153.05571	53.4
154.02695	1.4
154.05891	1.9
154.99902	0.7
155.67339	0.3
165.01862	0.3
166.99855	10.3
182.02211	23.0
183.02573	0.6
197.04544	26.4
198.04840	0.9
198.55850	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	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81895	0.3
69.29865	0.3
69.53637	2.0
72.99316	0.6
81.03472	0.8
84.46696	0.3
89.00336	0.4
91.01892	0.5
93.03460	0.7
94.64364	0.3
95.01403	0.6
106.00630	0.4
108.02174	1.9
109.02954	5.7
111.00899	0.8
121.02966	5.1
123.00896	2.5
123.04503	0.3
124.01659	1.0
136.01686	2.3
137.02452	38.6
138.02844	1.1
139.00293	0.4
153.05585	2.8
154.05420	0.3
160.84201	1.3
162.83929	3.6
165.01933	100.0
166.02243	3.4
166.99899	0.9
167.75656	0.3
168.72856	0.2
182.02209	1.5
197.04568	2.1
197.11890	0.3
197.80824	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	197.0456
Annotation	Salvianic acid A
Peak:m/z	Relative Intensity
59.01376	0.8
61.98838	9.8
63.02403	1.1
65.00335	1.3
67.01923	0.7
68.99841	0.8
69.03460	0.5
71.31932	1.0
72.99311	46.8
78.01122	1.2
80.96542	0.9
83.01385	1.4
83.92194	0.5
89.00333	10.5
91.01924	4.3
93.03467	0.7
95.01405	3.3
95.05040	1.0
96.96017	1.6
105.03353	0.6
106.00616	9.1
107.05033	1.9
109.02969	3.1
110.00101	1.1
111.00905	2.1
121.02959	100.0
122.03342	2.1
123.00893	19.3
123.04528	30.9
124.01192	0.8
124.04899	0.7
125.02463	0.9
126.90528	3.7
127.00341	2.8
134.03751	3.6
135.04527	45.9
136.04855	1.3
136.98807	2.0
137.02431	0.8
137.99539	0.6
138.03236	6.1
139.00357	2.3
139.04021	1.2
141.01962	0.8
146.02670	0.6
151.03961	1.4
153.01947	1.3
153.05577	52.8
154.02736	1.8
154.05919	1.1
154.99918	0.8
160.84212	16.7
161.84251	1.4
162.83922	43.7
165.01918	1.6
166.99857	9.5
168.00209	0.7
179.03519	22.5
179.05110	1.2
182.00565	0.9
182.02214	22.6
197.04553	34.3
197.11874	1.5
197.80789	23.3
198.04858	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.66592	0.3
51.87437	0.3
59.01379	0.3
61.95440	0.3
64.44435	0.3
68.70184	0.2
69.91848	0.5
69.92254	0.9
76.78221	0.2
98.19921	0.3
103.92054	0.3
109.06590	3.6
111.08160	3.0
116.92896	0.3
122.03714	0.6
125.09720	0.8
130.68832	0.2
135.11842	0.4
138.06844	0.7
139.07635	0.5
151.11278	0.6
160.84218	3.8
167.14403	7.4
168.14764	0.4
179.10771	4.8
180.04349	0.3
180.11412	0.4
194.90546	0.4
195.13898	100.0
195.81082	1.7
196.14258	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	197.0203
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
52.94919	0.3
57.03437	0.4
57.25938	0.3
59.01369	0.6
63.02389	0.3
64.01920	0.7
65.03955	1.3
65.41579	0.3
65.99873	0.5
67.01874	0.5
68.99812	0.4
69.03432	0.5
72.99306	3.1
80.38352	0.3
80.96503	0.5
81.03457	0.7
85.02945	0.5
88.95943	0.3
89.00293	0.3
93.03471	1.2
95.01395	1.1
97.69091	0.3
102.30580	0.3
106.26444	0.3
108.02183	0.4
109.02952	13.6
110.02505	0.7
110.03246	0.6
111.04491	0.5
112.01643	0.4
116.59594	0.3
116.92857	0.5
117.87581	0.3
121.02946	2.5
121.06119	0.3
122.02514	0.6
123.00890	4.2
123.04514	2.4
123.36245	0.3
125.02428	0.8
126.90485	2.3
135.04520	2.4
135.08157	0.3
137.02446	19.7
138.01956	1.4
138.03091	0.7
140.03543	4.2
150.01974	4.0
153.01898	0.5
153.05566	0.9
153.09270	0.5
153.12883	0.4
160.84203	4.7
161.84319	0.5
162.83908	11.8
166.01404	0.7
166.99937	2.9
167.02225	10.1
167.03659	0.6
168.02531	0.5
178.99866	0.5
179.03517	1.6
180.01761	14.2
181.02075	0.4
182.02196	6.6
197.02032	100.0
197.09686	1.9
197.11804	2.0
197.15480	0.7
197.80785	7.4
198.02409	3.2
199.01154	0.5
212.00745	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	195.051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92279	0.7
57.03452	5.6
58.72220	0.7
59.01382	24.8
70.03421	0.7
70.86977	0.7
70.90044	0.8
71.01383	14.4
71.20861	1.8
72.99304	6.9
75.00877	100.0
76.01239	0.8
83.01399	1.8
85.02954	7.3
87.00879	25.0
89.02457	7.2
97.02974	1.0
97.95218	0.8
99.00888	10.6
101.02428	2.4
105.01936	14.6
111.00858	2.6
113.02505	0.8
129.01947	42.2
141.01933	1.4
147.02994	4.3
150.88824	1.3
152.94498	2.1
153.90430	0.8
159.03000	4.6
160.84227	3.4
177.04073	10.0
194.87914	0.9
194.95525	1.7
195.05098	63.2
195.81093	1.4
196.05443	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	195.1025
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
57.03453	0.7
59.01380	100.0
60.01714	0.7
75.00881	0.7
81.03464	0.9
89.02120	0.3
95.05017	1.6
97.06589	3.9
98.19867	0.9
109.06596	1.3
122.03748	0.4
135.08144	0.4
135.67932	0.3
150.03264	0.6
151.11320	1.9
157.83430	0.3
161.04752	0.3
165.01878	0.3
165.05516	0.4
169.12076	0.3
177.09323	0.3
180.04272	0.8
195.05045	0.3
195.06601	0.5
195.10254	12.8
196.10645	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	195.051
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
50.88211	0.7
51.43701	0.7
57.03452	5.9
59.01380	20.0
61.54913	0.8
69.40771	6.8
71.01381	12.6
72.99309	8.1
73.02918	1.2
75.00874	100.0
80.96514	1.1
83.01382	1.6
85.02952	8.4
87.00879	24.8
89.02454	8.9
91.07705	0.8
98.20551	1.6
99.00883	11.4
101.02427	3.5
105.01934	18.4
110.07228	1.1
111.00856	3.2
113.02575	0.8
123.00896	1.3
124.01679	1.3
129.01947	42.9
130.02231	1.0
141.01926	1.8
146.77283	0.8
147.02950	5.4
150.88776	1.3
152.94484	2.2
159.03001	5.4
159.74692	0.8
160.84232	13.4
165.01985	0.9
165.03911	0.9
167.03427	1.5
177.01900	3.8
177.04039	10.1
195.05089	76.1
195.81152	3.8
196.05559	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	195.0299
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
57.03458	0.4
59.01373	1.0
66.81241	0.3
67.01889	1.7
68.99810	0.8
71.01402	0.8
71.65018	0.6
73.23272	0.4
74.85347	0.4
75.00870	1.5
83.01397	3.2
95.01390	4.0
96.30032	0.4
107.01404	4.2
107.05032	1.9
108.02172	3.4
109.02978	0.7
111.00885	13.6
123.00889	26.4
123.04497	0.8
123.08201	0.4
124.01670	26.2
125.01978	0.5
129.01933	0.9
135.00880	2.7
136.01683	0.5
137.02448	2.8
139.00378	3.5
150.03163	1.1
151.03960	1.1
151.11281	0.5
152.01146	4.4
156.95845	0.4
160.84227	0.9
163.93436	0.4
164.92146	0.4
165.01923	0.7
165.05598	0.9
167.03497	6.3
168.03680	0.4
180.04276	1.4
194.05608	0.4
195.02982	100.0
195.81084	0.7
196.03368	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	193.0141
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
55.01870	0.1
57.03439	0.3
58.19942	0.1
59.01382	1.1
65.03964	0.7
67.01898	0.6
69.03458	0.4
69.69933	1.0
69.71232	0.1
71.01387	1.3
73.02953	1.1
75.02392	0.2
81.03465	0.2
83.01386	0.6
84.01661	0.1
85.02957	1.3
86.00091	0.3
86.13226	0.1
87.00866	1.0
93.03444	1.2
95.01370	0.4
97.02959	0.6
99.00908	1.1
101.02451	1.8
109.02953	3.3
111.00896	0.2
113.02473	0.4
116.35085	0.2
119.01378	0.2
121.02944	1.4
123.00862	0.3
125.02479	0.7
133.02974	0.9
134.03751	4.6
135.04201	0.1
137.02448	100.0
138.02788	3.0
139.04010	1.8
140.01141	0.2
140.04300	0.1
141.01923	0.3
141.55205	0.1
147.00877	0.4
149.02434	0.5
149.04337	0.3
149.06082	0.9
150.03078	0.2
155.03494	0.4
161.02458	1.2
161.04555	2.1
163.00388	0.4
163.04005	0.3
164.01187	1.8
165.01936	28.9
166.02278	0.9
175.06041	0.2
178.02731	2.7
178.06277	0.2
193.01422	56.6
193.05051	5.2
193.07121	1.5
194.01749	2.3
194.05327	0.2
200.27197	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	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.4
69.70506	1.4
69.74236	0.2
71.01379	0.4
77.40958	0.2
85.02935	0.6
87.00850	0.2
93.03475	0.8
95.01385	0.2
97.02959	0.3
98.88901	0.2
99.00870	0.4
101.02441	0.5
106.04239	0.8
109.02976	0.4
111.00890	0.5
121.02958	2.7
132.02124	0.3
133.02956	19.0
134.03748	18.7
134.04829	0.4
135.04074	0.5
136.01709	0.4
137.02446	15.4
138.02782	0.5
139.04010	4.8
148.01622	0.2
149.02440	0.5
149.06119	0.5
150.03224	1.7
153.04170	0.2
161.02444	29.5
162.02719	1.0
165.01996	0.3
178.01189	0.2
178.02727	5.0
179.03038	0.4
193.05063	100.0
194.05399	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	192.0303
Annotation	(2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
57.03423	1.1
59.01368	4.5
63.81029	0.8
64.01927	7.0
65.00340	1.1
65.99853	1.2
69.03455	2.2
71.01392	6.8
71.63909	0.9
73.02950	6.2
83.01399	3.7
85.02955	8.8
86.00125	0.9
87.00872	6.1
89.02499	1.1
92.05066	11.6
93.03459	9.2
94.02963	4.7
95.01405	2.4
95.05051	1.2
96.04554	4.0
97.02953	3.5
99.00886	5.3
101.02451	7.9
104.05079	1.5
105.03479	4.5
106.02995	7.5
106.99600	1.7
108.04577	5.1
109.01193	1.0
109.02943	2.0
111.00874	1.8
112.01202	2.9
113.02435	1.3
113.54576	0.9
118.03003	11.2
119.01396	0.8
120.04558	21.8
120.05429	1.2
121.02953	13.4
122.02482	2.1
123.04522	1.9
125.02454	4.0
130.03073	0.8
133.02962	3.1
134.02821	1.6
134.03755	21.0
135.03262	3.7
136.04054	35.0
137.02403	4.7
139.04008	1.8
140.03569	6.4
141.01999	1.5
145.86261	1.1
146.02489	64.0
147.00885	0.9
147.03313	4.8
148.01654	3.5
148.04056	31.0
149.01196	3.0
149.02443	13.4
149.04424	1.0
149.06113	4.6
149.09685	1.2
150.01993	15.8
150.03136	1.4
158.09332	0.8
161.04564	10.1
162.01939	1.6
163.02753	14.8
163.04021	1.4
163.99342	1.5
164.03534	28.4
165.01929	1.6
174.01970	50.2
174.46512	0.9
175.00380	2.7
175.02359	2.2
177.01787	2.9
177.04239	0.9
178.02713	15.9
192.03030	100.0
192.06744	3.9
192.40610	0.9
192.99675	3.2
193.01482	1.8
193.03345	4.2
193.05069	8.6
193.07159	6.4
193.08772	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	189.1285
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.91788	0.9
57.03445	2.1
71.64526	1.2
92.88694	0.8
96.78699	0.7
117.03448	1.2
121.86617	0.9
127.44999	0.8
128.33913	0.8
131.05017	0.9
133.06592	2.2
143.86557	1.0
145.02939	1.2
147.06509	1.1
147.11783	2.0
157.06577	7.0
161.05896	1.0
171.08235	1.1
171.11731	1.2
173.09723	26.4
174.10016	1.1
178.17831	0.8
187.11284	3.2
189.01857	1.2
189.05490	1.3
189.12852	100.0
190.13142	4.4
203.73387	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.72337	0.3
57.03462	0.5
59.01367	0.8
69.31467	0.6
69.31873	2.4
73.88837	0.3
75.68902	0.3
85.02956	1.9
87.00880	2.3
98.30241	0.3
111.00886	4.8
113.46470	0.3
119.05035	2.0
121.02956	100.0
122.03305	2.2
124.15568	0.3
135.04532	0.4
138.41029	0.3
147.04512	6.3
148.01611	0.6
163.04007	0.6
165.69786	0.3
171.60606	0.3
173.28377	0.3
176.01204	1.8
191.01959	0.5
191.03508	7.9
191.05579	1.7
191.10626	0.4
192.03870	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	187.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
57.03717	0.5
59.01371	1.2
59.93679	0.5
65.03957	1.2
70.01658	2.5
71.01371	1.0
71.05009	0.6
79.95741	1.4
85.02940	0.8
87.00877	0.6
87.99814	0.5
93.92448	0.5
97.06595	3.1
97.15196	0.5
99.00882	0.5
105.07101	10.2
105.76160	0.5
107.05042	4.7
121.06608	3.3
123.08118	1.3
125.09720	11.6
126.10056	0.6
130.06601	2.2
131.05006	1.8
141.86745	0.6
143.05023	0.8
143.08595	0.7
143.10742	0.8
144.04514	1.0
145.06598	0.6
145.10233	5.7
145.50014	0.6
146.06129	7.3
147.08142	0.9
157.06581	2.1
158.03691	1.0
159.04506	2.2
160.03973	0.8
168.88890	0.6
169.10197	1.2
170.07329	0.6
171.08165	25.0
172.05287	0.8
172.08559	1.0
185.09686	1.0
186.98065	0.6
187.00700	2.0
187.03955	3.7
187.07674	4.2
187.09779	8.2
187.11273	100.0
188.03456	1.1
188.07118	4.1
188.11604	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	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
53.13428	0.1
59.01383	0.4
59.68837	0.1
61.98820	0.4
65.99843	0.3
70.06049	0.4
70.06445	0.3
87.92532	0.3
102.03508	0.6
116.05079	0.4
118.02971	0.3
126.10043	0.2
127.07665	0.6
129.05591	0.3
141.86810	2.8
143.07169	0.3
144.04549	100.0
145.04907	3.5
159.03229	0.7
159.87852	0.7
160.04016	0.3
187.86177	0.2
188.03523	4.0
189.07677	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	189.0557
Annotation	1,2-Dihydroxy-7-hydroxymethylnaphthalene
Peak:m/z	Relative Intensity
52.43499	0.7
55.01854	1.5
59.01377	2.6
59.16916	0.7
60.85218	0.7
69.89923	1.6
69.90321	2.7
70.85059	0.7
71.01378	8.3
72.99316	1.4
84.73782	0.9
94.70640	0.8
98.20596	1.4
101.03956	2.5
115.05540	25.7
116.05852	0.9
117.03475	49.9
119.05033	7.6
121.02902	1.2
126.38349	0.8
127.05543	1.4
131.05037	66.8
132.05350	2.2
133.06601	100.0
134.06917	3.4
143.05032	2.6
143.86459	1.9
145.02946	1.1
145.06595	4.4
147.04553	5.7
147.06436	2.2
159.04497	4.0
161.02446	1.5
161.06096	32.0
164.71353	0.9
171.04504	3.2
171.10120	0.9
189.03929	1.6
189.05576	24.2
189.07323	1.3
189.12819	2.5
190.05907	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	187.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05249	0.4
57.03440	2.0
65.03963	1.0
65.07944	0.4
69.66096	1.9
69.66502	0.8
79.05524	0.6
80.02660	0.4
81.03419	0.4
95.04987	0.4
97.06596	5.1
98.19859	0.5
105.07095	10.6
116.80750	0.4
121.06598	3.3
123.08172	1.8
125.09726	31.3
126.10052	1.1
131.04997	1.1
143.10716	0.9
144.05812	0.7
145.10223	4.2
147.08080	0.8
156.05833	0.7
157.06549	1.6
169.08809	0.7
169.10226	1.2
170.07358	1.0
171.08156	26.8
172.08505	1.5
185.09738	1.1
187.09756	11.6
187.11270	100.0
188.10085	0.7
188.11618	4.4
194.99138	0.4
203.25583	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	187.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61682	0.5
54.78075	0.5
57.03469	0.6
59.01382	88.5
60.01711	0.8
66.62622	0.5
67.48394	0.5
77.29784	0.5
79.29623	0.6
97.06590	1.7
99.08163	26.3
100.08500	1.1
124.98758	0.6
125.09731	7.2
125.80849	0.5
127.07656	20.6
130.06633	1.7
141.86810	1.8
144.04555	0.6
145.08708	100.0
145.45282	0.5
146.06122	6.9
146.09015	3.2
147.74747	0.5
159.87872	0.9
168.88850	0.6
187.04048	1.7
187.07809	2.5
187.09776	3.4
187.11259	1.0
187.13437	1.6
187.14915	1.1
188.07161	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	187.0976
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
51.83600	0.6
55.58537	0.6
59.01381	88.1
60.01726	1.0
65.31858	0.6
69.38390	3.2
69.38814	2.4
83.03452	0.6
97.06612	1.8
99.04527	0.6
99.08158	26.3
100.33744	0.6
119.08643	0.7
123.08176	0.8
125.09723	11.3
125.10598	1.2
127.07648	11.2
130.06633	2.4
141.86778	2.2
144.04541	0.9
145.08707	100.0
146.06128	8.6
146.09041	3.9
160.04065	0.9
171.08157	1.9
187.04015	2.5
187.07635	1.8
187.09715	4.7
187.11314	6.6
187.13336	1.1
188.03572	1.0
188.07130	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	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
52.73374	0.3
57.03450	3.8
65.03961	0.5
66.27349	0.3
80.02679	0.5
83.05021	0.8
86.90903	0.3
92.02613	0.3
95.05030	0.8
97.06595	13.9
99.44466	0.3
105.07108	6.9
121.06616	2.0
123.08175	6.5
125.09729	100.0
126.10061	3.3
131.05032	0.7
137.40012	0.4
141.86853	0.4
143.08698	0.4
143.10814	1.7
145.10248	3.3
146.06151	1.2
147.08191	0.5
150.71144	0.3
157.06557	0.9
159.04518	0.4
161.09680	0.4
169.08711	2.4
169.10170	0.6
170.07349	0.6
171.08163	16.7
172.08543	0.8
185.09695	0.5
187.04071	0.7
187.09756	39.5
187.11311	66.0
188.07144	0.5
188.10059	1.1
188.11650	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	187.0402
Annotation	Plumbagin
Peak:m/z	Relative Intensity
57.02113	0.3
57.03465	0.6
59.01394	1.2
61.98849	1.0
69.64918	0.8
69.65335	1.0
71.01401	0.3
71.05031	1.0
73.03001	0.3
73.29357	0.3
79.73726	0.3
83.05051	0.5
85.06609	0.3
87.92513	0.4
97.06602	0.6
98.20596	0.5
101.02505	0.6
102.04768	0.6
103.05553	3.0
111.08173	0.5
113.09735	0.4
116.05069	11.3
121.06680	0.3
123.08194	0.7
125.02449	0.6
125.06048	0.4
125.09732	5.3
126.10188	0.3
130.04248	27.8
131.05038	33.3
132.04485	0.3
132.05379	1.3
141.09232	0.3
141.86823	4.3
143.10786	0.4
144.04567	1.2
158.03734	35.0
159.04517	100.0
159.87875	1.5
160.04904	4.3
162.05591	0.9
168.89029	0.6
169.08684	0.5
172.95944	0.3
186.01669	0.3
186.03253	1.8
187.04001	60.2
187.09680	4.0
187.13391	0.5
188.04474	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	185.1183
Annotation	Epomediol
Peak:m/z	Relative Intensity
54.92566	0.9
57.03438	1.1
59.01379	37.5
68.99837	1.0
69.03473	4.1
71.01381	4.6
71.05025	7.5
71.62996	1.2
71.63377	0.9
83.01385	0.8
85.02947	1.8
87.04530	1.1
87.96174	0.9
97.02979	1.8
99.00911	1.0
111.04517	0.9
111.08163	1.5
113.02466	2.3
115.04012	100.0
116.04362	2.4
125.02454	6.2
127.04021	1.0
130.33334	0.7
139.11299	1.5
141.09241	1.2
156.87653	0.8
167.03490	1.4
167.10768	15.5
167.12085	1.3
183.10246	2.5
185.04578	2.3
185.11829	80.9
186.12178	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	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60025	0.5
58.25650	0.5
59.01382	81.6
60.01722	0.7
61.98839	1.9
74.99371	0.8
87.88761	0.4
90.97118	2.5
97.06631	0.6
98.19914	1.4
114.48011	0.5
114.98883	0.6
115.02517	3.5
116.02534	0.5
117.00452	9.2
125.09736	8.3
132.98222	2.3
141.86784	1.5
142.89365	1.0
143.02026	1.7
144.99950	1.9
146.06102	0.7
159.01505	100.0
159.85956	0.5
159.87865	1.0
160.01639	6.2
168.88925	0.9
186.95610	2.2
187.01013	10.9
187.03903	1.2
187.07794	0.8
187.09753	4.4
187.13377	1.2
188.00945	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03443	0.9
58.55994	0.4
59.01374	1.2
67.01891	0.6
69.02544	0.4
69.03435	0.6
70.40118	1.3
70.88704	0.5
71.05000	0.4
83.05054	0.8
85.02924	0.5
93.03448	0.6
95.01367	0.9
95.05128	0.5
109.02959	1.0
111.00874	1.7
111.04501	1.1
112.00391	0.6
112.33591	0.5
112.98528	0.5
121.06636	0.7
123.00887	0.5
124.01649	0.6
124.98795	0.9
136.98752	0.5
137.02441	1.5
139.00371	1.2
139.04082	0.6
139.07614	0.5
139.99811	0.5
141.01938	0.6
152.98314	1.3
164.98286	0.9
165.01976	2.3
168.00592	1.8
183.00473	1.1
183.03006	1.1
183.13898	100.0
184.06186	0.6
184.14291	3.0
187.75894	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	183.1027
Annotation	10-Oxo-8E-decenoic acid
Peak:m/z	Relative Intensity
59.01378	3.0
67.01884	0.6
67.79038	0.6
69.03454	3.7
71.01362	1.0
71.65417	0.8
71.65790	0.9
76.50270	0.7
80.91498	0.9
81.03471	0.8
83.05032	2.0
85.02953	0.7
85.06573	0.7
95.01373	1.0
95.05045	0.9
109.06577	2.7
111.00868	1.6
111.04539	0.7
111.08162	2.0
127.07687	1.0
130.29945	0.9
137.02449	1.4
137.09731	2.6
139.00418	1.2
139.04041	0.8
139.07658	3.6
139.11298	16.2
147.77257	0.6
152.98289	1.1
155.10785	23.7
165.01941	2.0
165.09250	2.2
168.00668	1.3
183.00426	2.8
183.03015	1.2
183.10263	100.0
184.10614	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	183.1025
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
52.60252	10.1
69.41453	100.0
78.72073	10.3
83.05022	22.7
98.19894	25.1
108.81692	10.6
121.10189	15.1
137.09665	12.2
139.00362	13.1
183.00444	13.7
183.10294	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0459
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
54.11950	0.3
55.01901	0.3
55.70850	0.2
59.01385	1.0
61.98830	5.6
61.99139	0.4
67.78046	0.3
69.03473	0.5
71.01386	0.3
71.62415	0.3
75.05862	0.2
81.03476	0.3
83.01326	0.3
83.05022	0.4
84.65195	0.3
92.05055	4.1
92.97228	0.3
93.03450	0.4
94.02993	1.4
95.01365	0.4
96.04559	0.4
96.96021	0.9
97.00446	0.4
97.02985	0.5
101.07930	0.2
107.03822	0.3
108.04559	50.7
109.02992	1.9
109.04883	1.3
110.02479	0.5
110.06120	1.0
111.00909	0.3
111.04544	1.3
111.41802	0.2
120.03742	0.4
120.04565	5.7
120.05350	0.5
121.03001	0.6
122.02476	1.9
122.03300	1.0
122.06147	0.4
123.00906	0.9
123.03264	0.8
135.97031	0.3
136.04015	1.2
136.04921	0.6
137.02444	1.0
137.96344	0.2
138.05614	100.0
138.90120	0.3
139.00372	0.3
139.02583	0.3
139.04022	0.3
139.05965	3.2
139.07634	0.5
140.03470	0.3
140.71947	0.2
141.00494	0.4
141.01912	0.2
143.86441	0.3
151.00374	0.3
152.00787	1.2
152.03523	1.4
152.04587	0.3
152.98299	0.4
155.94991	0.3
164.04337	0.9
165.01984	1.3
166.99869	0.6
167.03130	1.6
168.00589	0.5
181.83868	0.4
182.04536	22.6
182.92935	0.8
183.03076	0.8
183.04846	0.7
183.10266	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	183.0298
Annotation	3,4-Dihydroxymandelate
Peak:m/z	Relative Intensity
52.70781	0.3
57.09723	0.4
59.01375	0.9
61.98826	1.4
62.57973	0.3
65.03963	1.3
67.01891	8.4
68.02225	0.4
70.50139	1.0
71.49367	0.3
76.01099	0.3
81.03461	5.4
83.05042	0.4
87.68718	0.3
89.37608	0.3
93.03455	0.4
95.01349	0.4
98.02460	0.4
109.02953	100.0
110.03268	2.7
111.04568	0.4
121.02947	1.0
124.98790	0.3
137.02440	0.4
139.04004	2.7
140.01097	0.3
141.00423	0.5
152.98271	0.5
157.03554	0.7
165.01950	1.4
168.00699	0.4
183.01466	0.5
183.02861	1.8
183.10117	0.4
183.13846	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	180.0667
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
59.01365	2.0
60.01736	0.7
70.96114	1.5
71.01360	1.0
72.00912	36.5
74.02469	4.8
93.03465	24.7
94.02982	0.7
106.04263	2.9
107.05043	2.4
108.02188	1.4
109.02962	1.1
119.05032	80.1
120.05373	3.1
123.04534	1.0
134.06108	2.2
135.04503	1.0
136.07681	1.9
151.00392	1.5
151.38420	0.7
162.05626	1.3
163.04010	90.2
164.04338	2.5
166.02837	0.8
180.06662	100.0
181.05304	0.8
181.06996	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	181.0504
Annotation	Hydroxyphenyllactic acid
Peak:m/z	Relative Intensity
59.01384	0.7
60.77168	0.5
63.44551	0.5
65.35756	0.4
71.01383	1.2
71.74234	0.5
72.99310	34.1
83.01369	0.5
89.37690	0.5
93.03465	3.9
98.19868	0.9
101.02430	1.1
106.04259	1.3
107.05043	4.6
108.02280	0.7
109.02951	0.9
117.03477	1.3
119.05028	61.4
120.05376	1.7
121.02988	1.9
123.00924	0.6
130.61066	0.5
133.52213	0.5
134.03749	14.7
135.04532	96.0
136.04904	2.8
137.02475	0.9
137.05080	1.8
142.93092	0.5
148.45589	0.6
151.00378	3.6
155.19043	0.5
157.71785	0.5
163.04012	100.0
164.04362	3.7
166.02721	5.2
177.66527	0.5
181.05070	65.6
182.05377	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	181.0507
Annotation	cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol
Peak:m/z	Relative Intensity
55.19148	0.9
56.16914	0.8
59.01374	1.7
67.01904	1.0
70.14835	3.7
71.01383	1.5
72.99306	11.7
73.30956	0.8
80.12608	0.9
89.02430	1.4
93.03457	21.0
98.20470	1.4
101.02454	1.2
102.26720	0.8
107.05030	2.0
108.02159	0.8
109.02973	2.6
119.05031	24.3
120.05312	1.0
121.02959	31.1
122.03741	45.7
123.00871	1.9
123.04545	20.3
124.01673	5.5
134.03751	5.0
135.04532	36.2
136.04872	1.3
137.02460	11.5
139.04015	35.1
143.86615	0.9
149.02437	6.8
151.00388	10.3
153.01921	1.6
153.05569	2.9
154.02708	9.0
163.04012	34.8
164.04344	1.6
165.01894	1.0
166.02698	12.1
180.85750	1.0
181.05069	100.0
182.05357	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	179.0712
Annotation	Massariphenone
Peak:m/z	Relative Intensity
52.09597	0.3
59.01375	2.2
69.03468	0.3
71.01386	2.6
71.63769	0.3
71.64214	0.2
73.02956	0.7
75.00879	0.4
76.44925	0.3
83.01407	0.6
85.02953	1.4
87.00877	5.2
89.02436	1.3
89.94016	0.2
91.05531	1.3
93.03471	0.7
94.02975	0.4
95.01361	0.5
97.02966	0.4
99.00871	1.7
101.02452	0.6
105.03482	0.6
107.01382	0.5
107.05032	1.6
108.02171	0.8
109.02951	0.7
113.02444	0.5
117.01977	1.3
117.03469	0.4
119.05025	0.3
121.02940	1.5
122.03770	0.3
123.04514	0.3
125.02467	0.9
134.03757	3.5
135.04527	54.4
136.01622	0.5
136.04840	2.2
137.02457	0.3
141.01967	0.7
145.02965	4.8
146.03740	100.0
147.04456	5.4
148.04890	0.4
149.02452	1.0
149.99954	0.3
151.07710	0.3
159.02979	0.4
161.04585	3.0
161.06053	16.4
162.06433	1.1
163.04005	3.8
163.07916	0.3
164.01167	2.1
164.04793	57.1
165.05122	2.4
178.81609	0.3
178.99867	0.7
179.03502	10.0
179.05579	3.2
179.07141	12.6
179.10706	0.5
180.07567	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	179.0714
Annotation	Massariphenone
Peak:m/z	Relative Intensity
57.03429	0.3
59.01377	1.2
69.03464	0.3
69.56850	1.4
71.01389	1.7
72.33104	0.2
73.02946	0.7
79.05515	0.2
85.02959	1.0
87.00875	3.9
89.02479	0.4
91.05531	0.4
93.03461	0.9
95.01398	0.2
97.02975	0.5
98.20590	0.4
98.21560	0.2
99.00914	1.1
101.02470	0.6
107.05033	1.1
107.41815	0.2
108.02179	0.3
113.02458	0.2
117.01942	0.7
117.03484	0.6
121.02953	1.0
123.00948	0.2
123.04493	0.4
125.02425	0.3
132.05807	0.3
133.06590	0.5
134.03758	2.3
135.04527	25.7
136.01678	0.5
136.04874	0.6
137.02467	0.4
145.02960	1.7
146.03741	100.0
147.04053	3.8
149.09726	0.5
151.00348	0.2
151.03987	1.0
151.28142	0.2
161.04597	1.9
161.06071	23.0
162.06442	0.9
164.01178	1.2
164.04787	5.2
178.99901	0.4
179.03514	4.2
179.05595	2.1
179.07161	2.4
179.10736	0.5
180.03581	0.2
195.81862	0.2
197.31059	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	179.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.2
59.01385	0.8
59.01644	0.2
63.34771	0.1
69.03460	0.2
71.01390	1.2
71.65304	0.3
73.02956	0.2
75.44809	0.2
85.02968	0.8
87.00869	3.2
89.02444	0.4
91.05522	0.2
99.00895	0.9
101.02457	0.2
107.01349	0.2
107.05053	0.6
109.02967	0.3
117.01942	0.6
117.03430	0.3
119.05035	0.4
121.02952	0.2
125.02436	0.4
129.01924	0.2
134.03772	1.6
135.04523	22.2
136.01717	0.3
136.04803	1.1
137.02441	3.0
138.03197	0.5
141.01927	0.3
145.02936	0.5
146.03726	0.4
151.03954	0.2
157.86995	0.2
161.02414	0.2
161.04581	1.5
163.04010	4.7
164.04788	100.0
165.05107	3.9
178.99811	0.3
179.03500	3.6
179.05586	2.0
179.07135	8.2
180.03802	0.2
180.07433	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	179.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09597	0.3
59.01375	2.2
69.03468	0.3
71.01386	2.6
71.63769	0.3
71.64214	0.2
73.02956	0.7
75.00879	0.4
76.44925	0.3
83.01407	0.6
85.02953	1.4
87.00877	5.2
89.02436	1.3
89.94016	0.2
91.05531	1.3
93.03471	0.7
94.02975	0.4
95.01361	0.5
97.02966	0.4
99.00871	1.7
101.02452	0.6
105.03482	0.6
107.01382	0.5
107.05032	1.6
108.02171	0.8
109.02951	0.7
113.02444	0.5
117.01977	1.3
117.03469	0.4
119.05025	0.3
121.02940	1.5
122.03770	0.3
123.04514	0.3
125.02467	0.9
134.03757	3.5
135.04527	54.4
136.01622	0.5
136.04840	2.2
137.02457	0.3
141.01967	0.7
145.02965	4.8
146.03740	100.0
147.04456	5.4
148.04890	0.4
149.02452	1.0
149.99954	0.3
151.07710	0.3
159.02979	0.4
161.04585	3.0
161.06053	16.4
162.06433	1.1
163.04005	3.8
163.07916	0.3
164.01167	2.1
164.04793	57.1
165.05122	2.4
178.81609	0.3
178.99867	0.7
179.03502	10.0
179.05579	3.2
179.07141	12.6
179.10706	0.5
180.07567	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	179.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34798	0.2
59.01358	0.3
69.03471	0.2
69.39571	1.0
69.40010	0.6
69.96519	0.2
71.01387	0.6
73.02924	0.3
76.41861	0.2
79.05522	0.2
80.86289	0.2
83.01385	0.3
85.02959	0.3
85.56002	0.2
87.00871	1.3
91.05535	0.6
93.03475	0.2
98.20708	0.2
99.00898	0.4
106.04262	0.3
107.05019	1.5
109.02950	0.2
117.01910	0.3
117.03464	0.7
125.02441	0.2
126.49785	0.2
134.02708	0.2
134.03749	6.3
135.04526	100.0
136.04848	3.5
151.33466	0.2
160.88780	0.2
161.04517	0.8
164.04742	0.3
179.03503	15.5
179.05495	0.7
180.03860	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	179.0346
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01387	0.4
60.41467	0.2
69.03465	0.3
70.73527	0.2
70.75443	0.5
70.75803	0.3
71.01378	0.8
72.78904	0.2
73.10585	0.2
75.86057	0.2
85.02959	0.4
87.00880	2.0
89.03984	0.5
91.05560	0.7
93.03465	0.3
96.14455	0.2
99.00887	0.7
101.02403	0.3
106.04254	0.4
107.05022	2.6
108.02150	0.2
109.02949	0.5
117.01954	0.2
117.03448	0.8
121.02995	0.2
125.02470	0.2
134.03746	9.0
135.04526	100.0
136.01660	0.2
136.04855	3.6
151.04077	0.2
161.02467	0.6
161.04584	1.2
164.01054	0.3
164.04768	0.4
178.81583	0.2
179.03497	11.2
179.05518	0.9
180.03818	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	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11377	0.7
74.53305	0.1
78.10238	0.1
80.75088	0.1
89.03944	0.3
91.05568	0.3
95.05052	0.2
98.00840	0.1
107.05025	1.3
117.03446	0.6
134.03746	4.9
135.04526	100.0
136.04860	3.8
179.03500	16.3
180.03860	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	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.13529	0.2
70.97928	0.5
71.61918	0.2
71.84205	0.2
73.98734	0.2
89.03982	0.6
91.05535	0.6
93.03461	0.4
95.05018	0.2
96.32202	0.2
106.04279	0.3
107.05029	2.2
108.02210	0.2
115.73300	0.2
117.03466	0.6
134.03745	7.5
135.04527	100.0
136.04857	3.8
146.16075	0.2
179.03500	18.5
180.03836	0.8
199.62410	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	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.54460	0.1
87.00885	0.4
89.03971	0.4
91.05546	0.7
93.03465	0.2
95.05070	0.2
95.94637	0.2
96.31207	0.2
106.04250	0.3
107.05034	2.2
108.02198	0.3
109.02957	0.4
117.03474	0.6
118.17657	0.2
123.04595	0.3
133.02974	0.5
134.03760	7.1
135.04532	100.0
136.04855	3.6
151.03940	0.3
161.02423	1.2
161.04539	0.3
179.03506	16.9
179.92400	0.3
180.03833	0.6
181.71231	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	179.0351
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
59.01384	4.1
63.37992	1.3
64.08469	1.3
70.91428	3.4
71.01371	5.6
85.02932	3.3
87.00875	10.7
89.02461	2.3
93.03477	3.7
99.00871	3.9
100.23184	1.3
105.03477	2.2
107.05031	64.6
117.01968	1.9
121.02953	12.7
133.02922	2.1
134.03732	5.5
134.83791	1.3
135.04529	100.0
136.04897	1.8
142.43446	1.5
147.00876	2.3
151.03987	4.4
161.04607	6.7
162.11299	1.4
164.01144	3.7
164.04764	2.1
172.48093	1.5
179.03506	28.0
179.05579	5.1
179.07019	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
61.98837	0.4
62.25645	0.2
69.34398	1.9
77.40168	0.2
79.95788	0.3
87.00878	0.4
95.95263	0.2
98.19825	0.4
98.87984	0.2
112.30864	0.2
118.03338	0.2
119.93752	0.6
134.96094	20.6
135.96130	1.2
136.94011	100.0
137.94084	5.8
151.92715	12.4
151.93979	0.4
152.92825	1.0
154.95087	0.4
161.04576	0.3
164.01254	0.2
178.95067	50.9
179.05592	0.4
179.95154	2.9
196.96147	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	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03446	2.3
59.01381	8.7
64.49003	0.4
68.99819	0.5
69.03446	0.7
69.31578	3.8
71.01385	4.1
72.99306	1.3
73.02953	1.1
75.00855	0.6
83.01381	1.3
83.05062	0.5
85.02959	1.5
85.06591	42.7
86.06961	1.1
87.00870	4.4
87.04513	1.8
98.19907	0.8
99.00851	0.7
113.06088	39.7
114.06445	1.3
115.00399	2.4
115.04010	100.0
116.04388	2.1
117.05354	0.4
119.05038	0.5
127.00371	2.9
129.05582	1.3
129.09230	2.0
130.06631	0.5
131.05063	0.7
131.07130	8.0
147.04510	1.8
147.06514	0.4
148.03961	0.6
157.05057	10.0
160.01749	0.5
160.05295	0.5
174.88971	7.8
175.02534	1.9
175.03976	2.6
175.06116	49.6
175.09564	2.4
176.03474	2.6
176.06384	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	175.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03464	1.3
59.01383	57.7
60.01739	1.0
61.98828	1.6
68.99822	1.8
69.03448	3.3
70.84514	1.8
71.01387	10.6
71.05017	1.2
72.99312	3.3
73.02954	8.4
75.00871	4.4
79.95740	1.3
80.96512	1.0
83.01401	2.2
85.02946	3.6
85.06594	5.4
87.00877	17.9
87.04531	2.6
90.97171	1.0
91.80231	1.0
92.95992	3.2
95.05007	1.7
96.99325	1.4
97.02972	1.4
99.00887	1.5
99.04483	1.2
99.19303	1.0
100.98806	11.6
101.02441	4.2
108.93748	1.8
113.06095	9.0
115.00395	8.0
115.04001	11.0
117.01926	5.9
124.98761	2.7
127.00379	3.0
127.97507	10.8
129.05522	1.2
130.97546	1.5
131.03606	1.6
131.05045	1.7
131.07144	2.8
132.98198	13.3
142.99831	1.8
146.97067	13.7
147.04462	1.3
148.98619	88.6
149.98714	6.7
157.05023	2.1
174.82841	100.0
174.88936	11.4
174.96541	17.3
174.99261	4.4
175.02586	1.8
175.03850	5.0
175.06104	9.7
175.07619	2.4
175.82785	3.0
176.03531	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	173.1183
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
67.01872	0.7
69.41776	1.7
71.01376	0.4
73.02945	0.3
83.05013	0.2
85.02937	0.3
93.03458	2.0
95.30179	0.2
111.00845	0.2
111.04504	0.4
111.08193	0.4
116.05015	0.2
125.09750	0.4
126.38837	0.2
127.11291	11.6
128.11583	0.2
129.09245	0.2
130.06596	0.4
135.18610	0.2
136.67542	0.2
144.04568	0.2
145.04849	0.2
155.10789	2.4
171.10265	1.4
173.11821	100.0
174.05592	0.6
174.12173	4.1
192.00635	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	174.0561
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
53.68506	0.5
54.61444	0.5
59.01387	0.6
67.51915	0.6
70.19398	0.4
71.01415	0.8
87.00869	0.8
90.91907	0.5
94.03806	0.6
98.19759	0.9
110.86380	0.5
115.00444	0.6
116.05067	42.1
117.05409	2.3
127.00398	0.6
128.05069	23.7
129.05417	0.9
130.06625	70.2
131.03728	1.1
131.06972	2.4
144.04552	11.8
146.06120	61.6
147.04544	0.9
147.06451	2.1
156.04552	9.1
157.04900	0.6
159.03268	0.9
172.04050	8.7
174.05600	100.0
174.89018	1.2
175.04010	2.3
175.05942	5.5
175.07523	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	173.0931
Annotation	N(5)-Acetyl-L-ornithine
Peak:m/z	Relative Intensity
53.00318	1.1
55.01873	2.2
57.03453	1.4
58.02977	28.2
59.01387	4.8
67.01892	1.4
68.99832	1.3
71.01382	27.0
71.62170	0.6
72.01710	0.9
72.21599	0.6
72.99308	4.0
73.02956	6.0
73.75712	0.6
74.02462	0.6
81.03461	1.0
83.01392	4.4
83.05029	2.6
83.06152	2.2
84.04546	2.0
85.02949	3.5
85.07699	0.8
86.06127	0.8
87.00869	4.0
87.05590	0.6
87.24747	0.6
93.03464	11.6
96.04543	1.0
96.99303	1.7
99.00886	7.8
99.04502	1.7
100.07684	2.3
101.08036	2.1
102.48124	0.5
106.23471	0.6
111.00896	5.4
111.04514	4.5
112.07700	1.9
112.98819	26.2
113.02473	0.6
113.07216	4.3
114.05593	4.2
115.00382	2.9
124.98814	8.1
125.07210	2.9
127.08804	3.0
128.07213	1.1
129.07452	0.8
129.09483	1.0
129.10347	7.7
130.89775	2.7
131.08267	100.0
132.06618	1.1
132.08635	1.7
137.02448	2.3
140.98280	1.4
142.99861	27.0
145.01495	0.6
155.08281	1.2
172.83067	18.9
172.90935	0.7
173.00955	1.2
173.04547	2.1
173.09319	66.0
173.83133	1.2
174.09657	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	173.0819
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
50.51563	0.8
59.01382	99.7
60.01704	1.1
67.01892	0.9
67.35049	0.5
69.63110	3.7
71.01382	0.8
72.99346	0.7
83.05029	1.2
85.06593	25.0
86.06950	0.9
88.02913	0.6
89.82225	0.6
90.25876	0.6
93.03458	6.3
98.19843	0.6
99.04536	0.6
111.00867	0.7
111.04526	1.8
111.08171	1.7
113.06089	13.0
116.05042	0.8
121.86202	0.7
128.05038	1.0
129.05591	0.7
130.06624	4.1
131.07141	100.0
132.07455	2.8
144.04562	1.2
145.04909	5.0
146.06145	0.7
153.85002	0.6
173.04402	3.0
173.07147	2.1
173.11734	1.1
174.05624	0.9
176.54962	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	173.0719
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
57.03429	4.7
58.02971	1.2
59.01142	0.9
59.01385	13.2
60.99278	2.3
61.98830	1.7
66.03470	3.0
67.01894	17.4
69.03448	5.1
71.01386	9.5
71.05014	2.1
71.95412	1.0
72.99297	2.8
73.02622	0.9
73.02947	8.7
81.03461	1.2
83.01373	1.9
83.05032	5.4
85.01180	18.7
85.02946	4.7
87.00855	1.5
92.05041	2.0
93.03461	61.3
94.03807	2.5
95.01382	1.4
96.31438	1.0
97.02927	1.8
99.00895	4.9
99.04524	1.3
99.92523	1.3
101.06039	1.5
109.06606	1.2
111.00887	9.1
111.04513	9.6
111.08163	9.3
113.02424	1.4
113.06030	1.5
115.00343	2.9
116.05070	51.9
116.51201	1.2
117.04610	2.1
117.05374	6.9
118.02960	3.9
118.06589	2.9
123.00929	1.6
128.05075	7.6
129.00089	4.8
129.01855	1.2
129.05724	1.5
129.09129	1.8
130.05605	1.7
130.06631	44.1
131.03772	100.0
131.06068	2.7
131.08231	8.0
132.04422	3.8
137.02390	2.3
142.99808	1.2
143.06117	1.7
144.04553	42.0
145.02937	3.4
145.04898	26.7
145.07628	2.0
146.02496	2.3
146.06126	44.8
147.06464	1.4
154.05354	5.0
155.03447	2.0
155.05995	1.4
155.07130	1.5
156.04520	1.6
157.05354	12.9
158.04823	1.4
158.06020	2.4
159.03232	1.8
161.04784	1.5
163.05898	2.4
171.05577	2.0
172.04037	7.1
172.06320	2.0
173.02361	3.8
173.04649	17.5
173.07146	73.2
173.11806	6.2
174.01895	2.7
174.03180	2.0
174.05609	46.1
174.07381	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.34861	0.2
58.02986	1.0
59.01382	0.4
67.01888	1.2
69.03481	0.4
69.40332	0.7
69.40741	1.7
71.01406	0.8
72.99328	0.4
73.02980	0.7
82.06640	0.8
83.05049	0.5
93.03458	4.1
99.00890	0.5
99.04549	0.3
99.92598	0.6
103.69183	0.3
111.00877	0.4
111.04535	0.8
111.08183	0.5
116.05070	2.9
117.03477	0.4
123.89828	0.3
128.10815	2.7
130.08742	100.0
131.09073	2.4
144.04555	15.6
145.02971	0.5
145.04921	0.6
162.05620	0.6
172.02551	0.4
172.04031	3.8
172.09776	11.7
173.02359	0.6
173.04459	0.7
173.08186	0.4
173.10107	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
54.98116	0.2
57.03440	0.3
58.02976	1.2
59.01380	2.1
67.01901	0.9
69.03464	0.3
69.70975	0.3
71.01387	0.3
71.40884	0.3
73.02972	0.5
82.06674	0.4
85.02961	0.4
85.06609	0.6
93.03457	3.8
93.03994	0.4
97.69261	0.2
104.51984	0.2
109.95876	0.2
111.00919	0.2
111.04479	0.3
111.08152	0.3
113.06149	0.3
116.05074	0.8
128.07976	0.4
128.10809	2.5
130.08739	100.0
131.07169	1.5
131.08263	0.3
131.09087	2.6
144.04552	5.5
145.02928	0.4
145.04823	0.4
172.04050	2.2
172.09776	12.2
173.02324	0.3
173.04498	0.5
173.10051	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	172.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
57.03445	6.3
58.02977	83.0
58.37159	1.2
58.92756	1.1
59.01377	10.0
62.20070	1.1
62.92214	1.1
66.66157	1.0
67.01877	3.4
69.03454	2.3
69.65057	7.2
71.01379	53.9
71.04991	1.1
72.99310	4.8
73.02943	6.6
80.99841	1.8
83.01380	5.4
83.06158	5.8
84.04540	5.6
85.02954	14.2
85.06590	1.1
86.02473	6.1
86.06111	33.4
87.00876	4.7
93.03458	8.3
96.99293	3.2
98.06110	3.1
98.19917	2.4
99.00883	18.6
99.04517	1.0
100.04047	3.5
100.07683	100.0
101.02445	1.6
101.08031	3.1
102.05616	1.9
111.00874	6.8
111.04443	2.0
111.08176	1.6
112.04028	9.0
112.98814	19.4
112.99649	1.9
112.99898	1.7
115.00373	3.3
124.98806	17.8
126.05587	1.9
128.07173	35.7
129.01939	1.9
129.05573	2.0
129.10312	1.3
130.05101	2.0
131.08263	26.3
134.04715	11.4
142.99860	40.5
144.04559	6.2
172.04012	1.4
172.04530	1.1
172.06143	20.7
172.10617	1.5
172.14214	1.2
172.83101	3.8
173.00893	5.7
173.04527	1.6
173.09277	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	172.0616
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
55.01862	2.4
57.03445	6.3
58.02977	83.0
58.37159	1.2
58.92756	1.1
59.01377	10.0
62.20070	1.1
62.92214	1.1
66.66157	1.0
67.01877	3.4
69.03454	2.3
69.65057	7.2
71.01379	53.9
71.04991	1.1
72.99310	4.8
73.02943	6.6
80.99841	1.8
83.01380	5.4
83.06158	5.8
84.04540	5.6
85.02954	14.2
85.06590	1.1
86.02473	6.1
86.06111	33.4
87.00876	4.7
93.03458	8.3
96.99293	3.2
98.06110	3.1
98.19917	2.4
99.00883	18.6
99.04517	1.0
100.04047	3.5
100.07683	100.0
101.02445	1.6
101.08031	3.1
102.05616	1.9
111.00874	6.8
111.04443	2.0
111.08176	1.6
112.04028	9.0
112.98814	19.4
112.99649	1.9
112.99898	1.7
115.00373	3.3
124.98806	17.8
126.05587	1.9
128.07173	35.7
129.01939	1.9
129.05573	2.0
129.10312	1.3
130.05101	2.0
131.08263	26.3
134.04715	11.4
142.99860	40.5
144.04559	6.2
172.04012	1.4
172.04530	1.1
172.06143	20.7
172.10617	1.5
172.14214	1.2
172.83101	3.8
173.00893	5.7
173.04527	1.6
173.09277	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	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	100.0
59.03316	1.2
61.98827	0.8
69.03480	0.5
70.02976	0.5
70.19827	1.6
74.45315	0.3
81.03467	0.4
82.18536	0.4
82.95447	0.6
101.71518	0.3
108.04620	0.4
114.45213	0.3
122.89426	3.5
123.04569	0.4
124.20602	0.3
125.02451	5.8
132.86914	0.5
136.37741	0.3
151.11226	0.5
153.01541	0.5
168.03912	0.6
168.13885	7.1
169.01447	1.2
169.14339	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	172.0406
Annotation	3-indolylglyoxal
Peak:m/z	Relative Intensity
64.62111	0.2
67.01932	0.2
69.78796	1.2
71.01382	0.4
71.85568	0.2
72.00345	0.2
75.82485	0.2
87.00915	0.3
93.03485	1.3
99.92606	0.4
103.16543	0.2
111.04513	0.3
111.08165	0.3
116.05072	2.9
117.03472	0.2
126.03481	0.9
129.13007	0.2
130.08746	0.3
131.03725	0.2
142.03008	0.4
144.04555	100.0
145.04889	4.2
146.06105	0.6
167.94136	0.2
172.04044	46.1
173.04408	2.2
179.21327	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	167.1077
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
53.71238	0.4
59.01387	0.5
69.03447	0.7
70.19582	1.3
70.19977	0.9
81.03461	1.2
83.01379	0.6
83.05010	0.6
91.01902	0.6
93.03455	0.7
95.01386	2.2
95.05035	0.8
97.02949	0.5
107.01376	0.9
108.02177	3.6
109.02953	1.0
111.00799	0.6
111.04514	0.5
121.02937	0.6
123.00920	1.2
123.04527	3.9
124.01641	1.7
125.02437	3.2
139.04012	1.1
149.02432	0.5
151.00365	1.0
152.01170	7.9
167.03505	13.2
167.10773	100.0
168.11124	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	165.0404
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01861	0.9
57.03448	1.9
59.01382	10.5
63.25753	0.8
66.91196	0.7
67.01897	0.8
68.99820	1.0
71.01385	8.9
71.13177	1.4
72.99310	9.6
73.02952	3.5
75.00877	75.5
77.03986	2.1
81.03430	0.8
84.54285	0.8
85.02961	1.8
86.73347	0.8
87.00878	100.0
88.01212	0.8
89.02453	3.7
93.03445	4.9
99.00897	9.8
101.02447	3.3
105.01938	74.9
106.02289	0.9
108.04545	1.5
109.02927	1.2
117.01955	3.8
119.05033	1.3
121.02951	20.5
122.03326	1.1
129.01942	9.9
132.73145	1.0
135.03000	1.9
137.02422	6.1
147.03004	9.9
147.04425	2.2
163.41248	0.8
164.83620	19.9
164.89594	1.2
165.02061	4.1
165.04045	66.2
165.83649	0.9
166.04391	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	167.035
Annotation	N,N-dimethylethanolamine phosphate
Peak:m/z	Relative Intensity
52.81480	0.2
55.01867	0.2
59.08303	0.2
68.99815	0.2
69.03474	0.3
81.03471	0.5
83.01408	0.3
83.22574	0.2
91.01907	0.4
95.01389	1.2
95.05029	0.4
97.02950	0.6
98.19830	0.4
101.06175	0.2
107.01392	0.4
108.02159	1.6
109.02958	0.4
111.04551	0.5
122.99986	0.3
123.00887	7.3
123.04528	1.6
124.01669	24.6
125.02561	1.7
137.02489	0.2
139.04027	0.4
144.22668	0.2
151.00354	0.8
152.01163	100.0
152.86787	0.2
153.01508	4.3
155.63809	0.2
166.22540	0.2
167.03506	14.9
167.07195	0.7
168.03906	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	165.0193
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
51.26285	0.4
59.01378	0.6
65.03946	1.1
67.01906	0.7
69.91068	2.0
71.01354	0.6
72.99323	0.6
75.00871	1.8
77.03963	1.1
78.58729	0.4
79.01203	0.4
81.03461	3.7
83.01395	0.6
83.94318	0.4
87.00880	0.9
91.01908	0.6
93.03465	3.5
95.01398	1.8
96.46899	0.4
105.01947	0.8
108.02167	7.5
109.02958	13.2
110.02498	0.7
110.03229	0.7
111.00891	2.1
119.01400	1.3
119.05017	0.5
121.02961	8.7
121.06535	0.7
122.02460	0.4
123.00893	3.3
124.01675	3.4
136.01662	9.1
137.02444	100.0
138.02766	4.2
139.00441	0.8
147.04535	1.6
149.00980	0.7
150.03246	2.5
151.00359	0.9
164.83588	0.9
164.89571	1.6
165.01933	62.7
165.05592	1.4
165.09180	1.1
166.02307	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	165.0194
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
50.44910	0.4
54.05412	0.4
56.76437	0.4
58.20956	0.4
69.80239	1.3
69.80646	0.8
70.14771	0.4
75.00876	0.8
77.03976	1.1
93.03457	2.1
108.02144	0.4
119.05018	0.6
121.02956	100.0
122.03299	3.8
137.02438	1.9
147.04514	0.9
149.00958	0.5
164.89526	0.8
165.01926	9.7
165.04019	0.5
165.05571	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	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.10087	0.5
69.43116	0.5
69.92609	2.3
69.93011	0.9
70.99944	0.5
72.00910	39.1
77.20708	0.5
91.05544	2.3
93.03445	0.9
103.05562	1.6
109.02972	0.8
118.06638	1.2
119.05059	1.3
121.02966	2.6
136.01643	0.9
137.02466	7.0
147.04526	100.0
148.04868	5.1
164.07173	45.2
164.83629	0.8
165.01962	4.8
165.07533	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	165.0193
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
51.45486	0.4
58.12466	0.5
60.71874	0.5
65.03970	1.3
67.01902	0.8
69.53571	3.3
77.03982	0.7
81.03476	2.9
91.01893	1.0
93.03460	2.8
95.01405	1.9
95.10442	0.4
104.50508	0.5
105.10736	0.4
108.02177	6.3
109.02958	13.2
110.03233	0.6
111.00877	1.9
119.01369	1.2
119.05037	0.6
121.02956	20.0
123.00889	3.4
124.01655	3.7
136.01666	9.9
137.02446	100.0
138.02756	3.3
139.00331	0.6
142.47502	0.5
147.04489	0.9
151.00359	0.5
165.01927	63.7
166.02267	2.6
181.72842	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	163.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42489	0.9
61.98836	10.5
70.91365	2.0
70.91698	1.8
76.52754	0.9
116.92112	7.9
117.91901	1.3
119.05032	19.3
121.33033	1.0
147.08147	1.1
162.83919	9.1
162.89333	2.5
163.00316	2.0
163.04065	1.6
163.11288	100.0
164.11642	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	163.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01502	0.1
70.37552	0.1
74.42861	0.1
119.05041	0.5
121.02946	2.2
122.03786	0.3
147.04529	3.4
148.05304	100.0
149.05629	5.4
149.06848	0.2
163.07643	3.5
164.07993	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	163.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20446	0.1
61.83224	0.1
68.99825	0.1
70.75493	0.4
71.01383	0.2
81.87413	0.1
91.01885	0.3
91.05539	0.2
92.01435	0.2
93.03474	0.5
94.72112	0.1
101.02492	0.2
105.03478	0.3
106.85494	0.2
119.05030	16.8
120.04578	0.3
120.05378	0.8
121.02956	2.2
122.03747	0.5
135.03514	0.2
135.04512	0.4
137.29137	0.1
147.04530	3.2
148.05310	100.0
149.04504	0.3
149.05646	4.5
162.83946	0.6
162.89328	1.2
163.00409	0.7
163.02884	0.2
163.04031	1.9
163.06270	0.2
163.07651	3.4
163.11349	0.2
164.04732	0.4
164.08015	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79022	0.2
70.84515	0.2
70.96505	0.4
82.51511	0.2
85.51089	0.2
87.50520	0.2
91.01894	0.6
93.03446	2.4
94.49452	0.2
101.02401	0.2
102.48898	0.2
107.05047	0.2
117.03478	0.2
119.05027	100.0
120.04543	0.2
120.05363	4.6
135.00911	0.2
135.04532	1.0
148.05328	0.5
162.83907	0.9
162.89308	1.0
163.00351	0.9
163.04016	9.0
164.04356	0.3
164.86398	0.2
174.66013	0.2
175.96838	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	163.04
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93724	1.2
81.52859	0.3
91.01904	0.3
93.03460	1.9
117.03487	0.4
119.05029	100.0
120.04578	0.5
120.05358	3.8
121.26788	0.3
135.00809	0.3
135.04523	0.6
145.47980	0.3
148.05322	0.5
162.83937	3.8
162.89297	0.7
163.00340	0.9
163.04010	8.7
163.30142	0.3
164.04359	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98309	0.1
52.74526	0.1
52.74828	0.2
54.57093	0.2
55.65901	0.2
59.01377	0.2
59.08411	0.2
62.50563	0.2
69.87009	0.4
69.87399	0.5
71.01369	0.2
91.01893	0.6
91.05517	0.5
93.03458	1.9
98.20583	0.4
101.02438	0.2
117.03487	0.3
119.05027	100.0
120.04523	0.4
120.05352	4.2
135.00891	0.2
135.04514	0.6
147.04515	0.3
162.83879	0.5
162.89305	1.0
163.00398	0.8
163.04001	7.0
163.06070	0.3
163.07629	0.2
164.03400	0.2
164.04553	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	163.04
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
54.11097	0.3
69.29011	2.5
69.29422	0.5
93.03459	2.0
111.75265	0.3
117.03527	0.3
119.05028	100.0
120.05354	4.0
135.03520	0.5
135.04565	0.3
139.32860	0.3
162.89314	0.5
163.00394	0.3
163.04007	9.3
167.63623	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
60.18602	0.2
62.01663	0.2
69.41386	1.5
69.41740	0.2
71.15794	0.2
76.68465	0.2
91.01904	0.7
91.05543	0.3
93.03461	3.0
99.91614	0.2
104.06136	0.2
104.96340	0.2
107.04988	0.2
116.92120	0.2
117.03457	0.4
119.05026	100.0
120.04590	0.2
120.05368	4.2
121.02994	0.3
125.07944	0.2
135.00844	0.2
135.04533	4.6
136.04898	0.2
145.02977	0.3
148.01677	0.8
148.05299	0.8
152.98145	0.2
157.58620	0.2
162.83900	1.5
162.89362	1.0
163.00304	1.0
163.04021	12.1
163.23990	0.2
164.04489	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	163.0402
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.01869	0.2
68.93147	0.2
69.97911	0.9
71.94486	0.2
93.03461	2.6
117.03504	0.3
119.05029	100.0
120.05369	4.4
135.04523	0.5
162.89320	0.4
163.00359	0.4
163.04007	10.2
164.04312	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	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88836	0.1
51.23607	0.1
69.89314	0.7
69.89723	0.4
83.66658	0.2
91.01913	0.2
91.05534	0.8
93.03456	1.6
104.91512	0.2
117.03474	0.3
119.05029	100.0
120.04498	0.2
120.05358	4.4
121.03022	0.2
135.04553	0.3
135.92969	0.2
162.83972	0.2
162.89360	0.6
163.00346	0.7
163.04010	6.5
164.04408	0.3
182.63120	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	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
52.50243	0.2
54.06955	0.1
55.76304	0.2
69.56790	1.1
69.57187	0.3
71.85820	0.1
73.02941	0.2
91.05524	0.3
93.03463	1.2
117.03494	0.3
119.05026	100.0
120.04525	0.3
120.05354	3.6
135.04498	0.2
163.00485	0.2
163.04007	6.8
163.06061	0.3
164.04315	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45213	0.2
59.01374	0.3
69.51695	1.7
71.01394	0.4
85.86917	0.2
91.01907	0.7
92.05054	0.3
93.03461	2.8
101.02470	0.3
115.30524	0.3
119.05028	100.0
120.04523	0.3
120.05364	3.8
121.02960	0.6
127.64919	0.2
135.04533	0.8
147.04457	0.2
148.05305	7.0
162.83899	1.5
162.89320	1.7
163.00339	1.6
163.04015	11.6
163.06198	0.5
163.07687	0.6
163.11267	0.3
164.04437	0.6
164.07219	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	161.0456
Annotation	3-hydroxy-3-methyl-Glutaric acid
Peak:m/z	Relative Intensity
53.45608	0.7
57.03450	100.0
58.03791	1.5
58.07676	0.6
59.01384	32.5
63.97612	0.7
69.39725	1.7
69.40136	3.9
71.01385	7.6
71.05049	0.7
72.99339	0.9
73.02948	7.5
81.03476	0.9
82.55744	0.7
83.01435	1.6
85.02959	11.4
87.00874	1.8
87.69114	0.7
89.02464	1.7
97.89728	0.7
99.04524	88.9
100.04872	1.6
101.02449	31.8
102.02789	0.7
113.02454	2.1
117.05582	1.5
131.03500	4.0
137.51262	0.6
143.03506	1.1
145.97758	0.8
151.70744	0.7
160.84222	9.6
161.02502	1.1
161.04559	20.5
161.05835	1.4
162.04884	1.0
163.35573	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	163.0399
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
59.01376	0.4
61.98824	1.5
64.61287	0.3
69.51643	0.3
69.66215	1.8
71.01386	0.6
75.89821	0.3
76.50416	0.3
85.02946	0.5
91.01884	0.7
91.05547	0.4
91.24945	0.2
92.01425	0.3
93.03458	3.0
98.20618	0.3
101.02463	0.3
116.92067	0.7
117.03471	0.3
117.91947	0.3
119.05028	100.0
120.04525	0.3
120.05367	4.0
121.02987	0.3
135.00822	0.4
135.04514	1.0
145.89041	0.4
148.05345	0.7
162.83932	2.8
162.89355	3.7
163.00394	1.8
163.04012	9.7
163.06168	0.5
163.07513	0.4
164.04459	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	161.024
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
55.01875	1.3
55.34504	0.4
57.03453	2.6
58.00582	0.8
59.01382	12.8
65.91075	0.4
69.03452	1.3
71.01386	11.1
72.99304	1.9
73.02949	10.0
75.00871	1.4
77.03960	1.0
81.03457	1.8
83.01384	4.2
84.02200	0.4
85.02954	16.2
86.03279	0.4
87.00880	3.0
89.02441	2.7
89.03974	0.7
95.05032	0.6
97.02961	1.4
99.00910	0.6
99.04524	0.9
101.02431	2.1
105.03471	1.6
113.02441	2.0
115.01910	1.1
115.04034	0.5
115.92083	2.6
123.04513	0.5
125.02441	0.8
129.01984	0.4
131.03493	6.6
132.02180	11.6
133.02959	100.0
134.03297	5.4
143.03456	0.5
144.71913	0.4
160.84229	2.3
160.89304	2.2
161.02446	62.8
161.04457	11.7
161.89410	1.2
162.02870	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	161.0243
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
59.01386	1.1
63.11904	0.2
71.01385	0.6
73.02940	0.7
76.14506	0.2
77.03960	1.3
85.02962	1.1
89.03983	1.2
95.05036	0.4
104.02672	0.7
105.03472	2.6
115.01911	1.3
131.03552	0.4
132.02179	12.2
133.02959	100.0
134.03294	4.6
144.73572	0.2
160.01636	0.3
161.02444	60.6
162.02812	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	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03444	0.8
59.01385	2.9
61.39695	0.2
65.00350	0.2
69.03482	0.3
69.42280	1.8
71.01385	2.5
72.99307	0.3
73.02950	2.7
75.00896	0.3
75.31873	0.2
77.03970	1.1
81.03467	0.6
83.01394	0.9
85.02954	3.7
87.00883	0.7
89.02462	0.7
89.03965	0.8
95.05036	0.3
97.02959	0.5
98.20651	0.4
99.04559	0.3
101.02412	0.6
102.38696	0.2
104.02707	0.9
105.03469	2.7
113.02473	0.6
115.01907	1.5
115.92135	0.3
117.03545	0.2
125.02536	0.3
131.03516	1.4
132.02182	11.2
133.02960	100.0
134.03296	4.5
160.01723	0.5
160.89270	0.5
161.02448	59.3
161.04355	2.7
162.02831	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	161.0245
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
57.03444	0.3
57.45308	0.2
59.01384	0.9
71.01392	0.5
73.02964	0.7
77.03960	1.3
83.01389	0.2
85.02965	1.2
85.26407	0.2
89.03961	1.0
98.25097	0.2
100.77916	0.2
104.02664	0.8
105.03466	2.5
115.01907	1.2
117.03500	0.2
123.04560	0.4
131.03477	0.2
132.02179	11.9
133.02959	100.0
134.03290	4.8
134.04242	0.4
160.01662	0.3
161.02444	62.8
162.02785	3.1
176.05432	0.2
180.05611	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	161.0244
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
57.03450	0.4
58.70088	0.2
59.01389	1.6
71.01379	1.1
73.02956	1.3
77.03970	1.3
81.03450	0.3
83.01405	0.3
85.02949	1.7
87.00882	0.6
89.02447	0.3
89.03969	0.7
95.05042	0.4
104.02682	0.8
105.03455	2.6
113.02435	0.5
115.01887	1.4
117.03492	0.3
121.02942	2.1
123.04546	0.6
129.75134	0.2
131.03511	0.7
132.02177	12.2
133.02957	100.0
134.03299	4.9
149.02480	0.3
149.16902	0.2
160.01665	0.9
161.02443	63.6
162.02786	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	161.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28853	0.2
57.03456	0.3
57.41236	0.2
59.01384	1.3
63.21545	0.2
69.03489	0.2
70.98006	0.5
71.01385	1.7
73.02945	1.3
75.00886	0.3
77.03977	1.2
81.03431	0.2
83.01410	0.5
85.02951	2.2
87.00883	0.4
89.02461	0.2
89.03992	0.8
95.05049	0.3
101.02468	0.4
103.64512	0.2
103.73627	0.2
104.02694	0.7
105.03461	2.7
106.03809	0.2
113.02474	0.2
115.01892	1.5
117.03468	0.3
123.04552	0.2
131.03490	0.8
132.02176	11.1
133.02957	100.0
134.03296	4.5
160.01657	0.5
161.02443	62.4
162.02802	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	161.0244
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
71.03496	0.3
77.03976	0.9
83.32928	0.3
89.03984	0.7
95.05037	0.5
98.20628	0.5
104.02674	0.8
105.03459	2.5
115.01898	1.7
127.06336	0.2
132.02177	12.0
133.02957	100.0
134.03296	4.6
160.01604	0.3
161.02444	61.7
162.02779	3.3
173.50323	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	159.0299
Annotation	D-2,3-Diketo 4-deoxy-epi-inositol
Peak:m/z	Relative Intensity
55.01873	5.2
57.03450	8.8
59.01379	20.2
68.99823	11.8
69.03452	4.1
71.01382	47.1
71.62727	1.2
72.99317	6.1
73.02947	80.6
75.00861	5.4
83.01394	13.0
85.02949	14.3
86.73465	1.2
87.00876	43.0
87.04507	1.3
95.01391	3.3
97.02956	3.7
97.06606	3.5
99.00880	14.7
99.92600	2.9
101.02441	36.1
110.94150	1.3
111.00130	2.6
111.00887	52.2
111.81213	1.3
112.01213	1.6
113.02450	21.2
114.94946	1.9
115.05534	1.9
115.07621	2.0
116.05064	3.1
116.92860	7.0
117.01883	1.1
128.04974	1.9
129.01942	48.0
129.05418	8.4
130.02260	1.8
130.06638	1.5
131.04993	4.1
131.06143	1.3
131.06978	12.7
132.65660	1.1
147.06517	1.6
152.72336	1.4
158.03731	11.5
158.89351	3.4
159.02983	75.7
159.04494	100.0
159.06461	17.7
159.08536	7.1
159.10191	2.6
159.89381	4.2
160.03244	1.9
160.04857	4.9
173.04384	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	157.0507
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
52.87958	0.3
52.88932	0.3
55.17653	0.4
57.03442	1.1
59.01385	4.5
68.99815	1.5
69.03465	0.9
69.87776	1.2
69.88190	0.6
71.01388	2.7
71.05029	0.7
72.99278	0.4
73.02956	0.7
83.01392	0.9
83.05033	1.0
84.99316	2.3
85.02955	3.2
85.06586	0.6
87.00877	1.8
90.56133	0.4
95.01396	0.4
95.05037	1.6
97.06586	1.0
97.84438	0.4
98.19961	0.7
99.00886	3.1
111.00916	0.8
111.04495	0.6
111.08143	0.8
112.07697	0.4
113.06089	100.0
113.09728	1.5
114.05665	0.7
114.06397	3.2
115.00373	2.4
116.07180	0.9
127.00378	12.5
127.01311	0.8
128.05092	2.2
129.92650	0.4
130.06627	3.6
138.62364	0.4
139.00359	0.7
139.04097	0.5
139.07631	1.0
140.07143	0.9
146.06107	0.7
154.32896	0.4
156.04507	0.4
156.06697	0.9
156.86586	1.1
156.89493	6.8
156.96941	0.8
157.01418	1.5
157.05067	10.7
157.06494	0.4
157.07701	1.0
157.08746	7.9
157.12328	8.3
157.86302	1.7
158.06290	4.9
158.08215	34.2
172.04059	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	153.0557
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
50.55153	0.2
63.76964	0.2
67.01893	0.3
70.13433	1.2
71.98035	0.2
81.03468	1.0
83.04060	0.3
93.03459	0.8
95.01418	0.7
95.05036	1.7
105.03452	0.3
108.02180	1.2
109.02956	5.0
110.00105	1.4
111.00896	0.3
115.08389	0.2
121.02935	0.3
122.03765	2.7
123.04528	100.0
124.01709	0.3
124.04035	1.9
124.04874	4.9
125.02482	0.9
136.04074	0.8
137.99590	1.3
138.03235	0.3
151.00342	0.3
151.94444	0.3
153.01964	2.7
153.05577	13.4
154.02754	0.3
154.04987	0.6
154.06064	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	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.95074	0.2
58.45758	0.2
59.01383	0.3
59.55299	0.2
63.96211	0.2
64.32129	0.2
66.03480	0.3
67.01882	0.3
69.03434	0.3
69.72991	0.2
70.94334	0.5
71.01385	0.6
79.01883	0.2
89.02457	0.3
92.02640	0.2
95.01392	1.4
100.53204	0.2
101.02457	0.2
107.01331	0.2
107.05025	0.6
108.02174	6.6
109.03006	0.3
121.02918	0.2
123.04513	2.1
124.40817	0.2
125.06117	0.4
136.01660	100.0
137.01988	5.0
151.04010	9.1
151.07637	2.8
152.04414	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	149.0457
Annotation	Ribulose
Peak:m/z	Relative Intensity
58.00592	3.2
59.01384	35.7
71.01386	31.3
71.61615	2.3
72.99310	86.0
73.02950	13.1
75.00877	43.1
85.02950	3.0
87.00877	100.0
88.01191	2.5
89.02448	51.1
91.35913	2.5
92.22560	2.3
93.03484	2.5
103.00359	11.5
103.04006	4.0
105.01933	5.2
121.02949	9.2
127.15158	2.0
130.99898	3.9
131.03511	7.0
133.01605	3.1
148.86372	24.9
149.00908	47.1
149.04564	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	149.0609
Annotation	875-59-2
Peak:m/z	Relative Intensity
59.01388	3.0
65.00328	0.8
70.76675	1.6
71.01387	1.5
72.99319	1.9
77.03990	1.7
80.78721	0.5
87.00894	1.8
89.02448	4.6
93.03468	5.2
94.37684	0.5
95.01402	1.6
95.05049	1.4
103.05537	0.8
108.02180	3.3
109.02614	0.5
121.02968	10.1
121.06577	0.7
122.03795	4.8
123.04565	0.5
124.01678	0.8
129.03485	0.9
130.04295	0.8
131.05046	1.7
134.03720	1.4
137.02475	1.3
139.04005	2.0
147.04543	6.0
148.05328	12.5
149.02470	7.1
149.06088	100.0
150.00246	1.1
150.06485	6.6
154.02765	1.3
168.33200	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	149.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20208	2.5
57.10696	2.2
65.00327	14.4
65.03967	2.8
67.01911	4.3
70.04711	5.4
70.05122	6.2
71.01376	5.2
72.99337	3.5
77.03972	20.1
89.02448	10.2
93.03459	51.0
94.03811	4.2
95.01390	24.2
95.05031	19.1
105.03470	4.0
121.02959	100.0
122.03234	6.0
123.04507	5.3
134.03856	2.6
139.04002	25.4
149.02451	88.3
149.06087	2.9
150.00261	2.8
150.02834	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	149.0243
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.05602	2.3
53.43181	2.1
59.01388	2.3
65.00314	11.3
65.03950	2.7
66.83658	2.4
67.01893	3.5
73.94654	2.6
77.03963	26.9
79.01895	2.0
87.00861	2.9
89.02474	4.7
90.48482	2.0
93.03465	51.8
95.01398	24.8
95.05020	18.2
105.03458	3.9
105.07108	2.5
105.72601	2.1
108.82124	2.0
121.02959	100.0
122.03283	5.8
122.30633	2.2
123.04523	4.1
136.79536	2.2
139.04034	17.7
139.04933	2.9
149.02448	94.2
149.06067	6.5
150.02835	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	149.0456
Annotation	Ribulose
Peak:m/z	Relative Intensity
59.01379	44.0
70.82659	5.9
71.01382	33.0
72.99310	91.7
73.02933	11.0
75.00873	47.0
76.98229	2.2
85.02941	3.0
87.00876	100.0
89.02442	56.9
91.64606	2.2
103.00353	12.0
103.04054	2.4
105.01944	6.2
108.04644	2.2
121.02955	7.3
131.03494	6.4
133.01540	3.7
148.86380	23.5
149.00925	44.2
149.02286	4.1
149.04553	22.7
166.97375	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	149.0455
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
51.00290	1.3
55.21122	1.4
59.01381	100.0
60.01722	2.1
69.35849	3.6
69.36259	9.4
72.99306	2.3
78.82087	1.5
87.00863	2.0
89.02460	2.2
91.47750	1.4
91.81041	1.3
106.61876	1.5
121.02955	4.7
134.60684	1.3
137.50328	1.4
149.02539	2.6
149.09714	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	149.0245
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
55.15326	1.8
59.01352	2.2
65.00337	15.4
67.01884	4.3
72.99310	2.4
77.03971	32.8
87.00879	4.3
89.02444	6.2
93.03461	40.9
95.01393	29.5
95.05024	16.6
103.11073	1.8
105.03410	3.8
120.30851	1.9
121.02956	100.0
122.03247	4.8
123.04512	6.4
149.02444	97.1
149.06064	4.2
150.00160	2.2
150.02795	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	149.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	11.6
65.03965	2.4
67.01900	3.2
71.01390	1.3
72.99332	2.0
77.03967	24.9
79.01911	1.5
87.00887	3.7
89.02441	3.4
93.03461	36.7
95.01397	25.9
95.05029	19.1
105.03460	5.0
121.02957	100.0
122.03300	5.2
123.04530	4.9
134.03758	2.2
139.03961	1.6
149.02441	97.7
149.06134	1.9
150.00206	1.4
150.02852	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	149.0092
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
59.01385	28.0
60.81309	1.9
62.91210	1.8
69.98310	10.7
71.01370	2.0
72.99311	90.7
75.00884	4.3
87.00880	100.0
89.02465	5.1
93.03471	3.4
103.00377	14.6
105.01929	8.9
121.02968	13.8
149.00926	44.1
149.02261	3.6
157.49095	2.0
158.54918	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	148.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16001	0.9
57.38366	0.8
65.17459	0.8
66.44049	0.9
67.94781	0.9
68.99818	0.9
71.37607	1.8
71.37956	1.1
91.05556	4.0
92.05816	1.0
93.03483	3.7
93.68175	1.0
95.05025	1.6
103.05530	1.2
105.03487	4.1
114.68784	1.0
119.05028	5.5
121.02960	34.2
130.61601	1.0
147.04535	30.9
148.05319	100.0
149.05664	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	148.0531
Annotation	3-phenylpropionate
Peak:m/z	Relative Intensity
54.61798	1.0
59.01371	3.7
69.50637	8.1
71.01374	1.2
72.99320	1.5
77.03964	2.7
87.00887	2.9
89.02453	4.5
91.05515	2.9
93.03468	9.0
95.01401	1.5
95.05057	2.7
98.20601	2.6
103.05538	2.3
103.42831	0.9
105.03439	2.2
108.02171	3.3
119.05065	5.0
121.02956	27.5
122.03770	6.7
131.05029	1.7
135.95261	1.1
137.02516	1.4
139.04050	1.2
147.04530	25.4
148.05315	76.0
149.01305	1.2
149.02480	9.2
149.06091	100.0
154.02774	1.5
168.51668	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	149.0092
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
55.93838	1.5
56.23663	1.6
59.01384	29.9
69.10546	2.0
70.41078	5.6
71.01387	2.6
72.99310	90.5
73.99628	1.6
75.00878	11.9
87.00876	100.0
88.01218	2.9
88.06550	1.7
89.02462	6.1
98.20457	2.3
102.21820	1.6
103.00368	11.6
105.01935	6.3
116.78254	2.0
130.99850	2.5
138.34641	1.8
149.00912	50.5
149.04495	2.7
150.01279	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	147.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62130	0.6
59.01377	2.7
65.03951	1.1
71.01395	4.1
71.62128	1.1
72.49834	0.5
74.20029	0.6
75.00870	1.5
85.02950	0.6
89.02440	0.6
91.05541	3.6
99.00860	1.1
101.03968	4.4
103.45152	0.6
117.03445	1.1
119.05032	24.7
119.05907	1.3
120.05444	1.3
129.03471	26.1
130.04306	6.7
145.02982	3.7
146.03751	6.3
147.04527	100.0
147.08141	2.3
148.01694	2.6
148.03934	0.8
148.04909	8.1
161.13979	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	147.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.9
62.47915	2.1
64.93832	2.1
68.99815	16.9
71.01375	13.2
71.62842	2.5
72.99345	2.5
75.00870	5.0
75.86125	2.0
78.54482	2.2
79.61909	2.4
79.64027	2.0
92.38076	1.7
94.58846	1.9
99.00895	2.6
101.03975	18.9
119.05022	56.0
120.05347	3.6
121.02942	4.0
127.19823	2.0
129.03462	5.0
132.06682	2.3
141.51892	2.4
147.04529	100.0
148.04941	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	147.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.9
59.80225	2.0
68.99818	16.6
71.01374	10.2
71.64854	3.5
75.00877	3.4
81.40852	1.8
81.52190	2.2
84.79177	2.0
101.03973	17.7
119.05033	59.8
120.05371	3.0
121.02969	3.2
129.03407	2.9
145.02988	4.0
147.00955	2.0
147.04523	100.0
148.04872	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01381	15.2
69.47765	52.0
71.01387	19.7
75.00858	10.4
78.61707	5.6
84.36955	6.4
99.00932	8.8
119.05023	20.9
121.10056	5.2
138.63315	6.9
147.03000	7.5
147.03218	8.7
147.04533	100.0
148.05138	7.2
168.02834	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	147.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	60.5
61.98852	13.3
69.37190	82.6
69.37607	32.1
71.01383	88.3
72.42404	10.7
75.00881	27.3
85.03012	13.6
99.00863	35.2
119.05029	17.9
147.01947	18.4
147.03081	13.2
147.04523	100.0
148.05289	14.3
148.80032	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	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01371	18.0
61.98808	9.8
62.51375	5.5
69.59183	40.0
71.01376	19.1
83.11861	5.9
84.26734	5.7
94.60413	5.4
119.05028	17.2
147.04529	100.0
148.04985	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	146.0374
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
51.36877	4.4
52.31237	4.6
59.01375	14.8
60.08358	5.7
71.01378	31.1
75.00863	8.2
75.25314	4.9
83.23003	4.2
87.92514	5.0
95.01054	4.9
99.00877	15.5
105.08672	4.5
117.03408	10.7
118.02977	20.4
118.03750	5.4
119.05021	25.7
127.00230	5.0
129.03462	24.3
145.02969	26.4
146.02473	30.1
146.03714	78.5
147.02849	6.0
147.04544	100.0
149.90422	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	146.046
Annotation	N-(Carboxymethyl)-D-alanine
Peak:m/z	Relative Intensity
57.03455	8.6
59.01381	5.8
64.27628	1.3
67.96931	1.4
70.02983	9.2
70.08121	4.0
70.08527	3.1
71.01379	6.7
72.00935	1.3
72.04545	4.4
72.99299	2.7
74.02479	67.9
75.00891	3.7
84.04557	30.3
85.02953	7.1
87.00891	6.8
93.67509	1.5
98.02483	23.2
99.00886	1.7
101.02405	1.7
102.05617	100.0
103.05959	3.8
104.03554	5.3
115.75291	1.2
116.03556	13.3
118.03032	1.4
118.98399	1.2
124.60802	1.3
128.03537	37.0
129.01910	3.2
146.04582	19.4
146.86691	75.5
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
59.01372	36.6
59.75777	6.9
61.98835	66.2
67.99202	6.9
69.92604	31.3
71.01373	50.2
71.05016	15.4
72.99313	33.5
75.00883	27.9
85.48418	6.9
87.30763	6.1
98.19946	12.8
99.00882	22.1
101.06030	7.8
119.05056	18.7
128.12720	6.9
147.01985	9.4
147.03221	8.7
147.04507	100.0
147.06587	18.5
148.04973	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	19.8
57.03466	4.1
59.01374	10.9
68.99822	5.6
69.03468	8.8
71.01382	56.1
71.61745	4.5
72.99300	4.7
80.99796	5.0
81.03459	10.8
83.01411	7.9
85.02954	12.9
87.00898	20.8
96.99324	20.0
97.02968	5.4
100.07663	4.7
102.05622	8.7
112.98827	34.4
115.00378	9.1
124.98817	61.7
125.02441	7.1
140.98311	8.2
142.98810	6.7
142.99870	100.0
143.03499	4.6
143.10785	5.9
144.00153	5.2
144.04576	27.1
144.06656	11.5
162.57433	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	144.0456
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
72.65674	0.3
75.35491	0.3
90.46362	0.3
90.47990	0.3
96.28135	0.3
99.64040	0.3
107.39954	0.3
115.62191	0.3
116.05079	1.7
126.03500	1.7
133.25307	0.3
142.02963	0.5
144.04552	100.0
145.04919	6.9
147.81917	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	145.0872
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
52.26722	0.6
54.27816	0.7
67.18928	0.7
70.06220	0.8
70.06495	3.5
76.09441	0.7
83.05051	1.0
97.06596	2.2
97.83349	0.7
98.19989	0.8
99.08160	100.0
100.08496	4.6
101.06052	0.7
104.38998	0.8
117.03474	2.5
117.05424	0.8
121.78871	0.7
143.07181	1.2
145.03036	1.5
145.04910	9.6
145.08713	36.3
145.09874	1.8
146.02484	2.3
146.09027	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59811	0.9
69.43030	5.7
76.47980	0.8
83.05029	1.0
97.06602	6.9
99.08160	100.0
100.08495	5.4
117.03474	2.3
127.07655	2.1
143.07106	1.8
145.02968	1.4
145.04916	4.9
145.08704	37.0
146.02493	1.3
146.09024	2.4
163.32318	0.7
164.11618	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	142.0663
Annotation	1-Naphthylamine
Peak:m/z	Relative Intensity
57.03459	0.9
57.92379	0.7
59.01377	0.7
67.55547	0.6
71.01375	1.9
71.38710	0.8
71.39041	0.8
85.02962	2.2
88.53209	0.7
109.50770	0.8
116.05077	3.1
122.75665	0.7
140.05070	1.2
142.06627	100.0
143.03525	1.5
143.06982	7.6
143.10805	1.7
151.36246	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	20.8
55.01871	6.2
57.03465	6.3
58.00609	6.2
58.02974	9.4
59.01375	18.9
61.85424	5.6
69.03442	20.7
70.24404	19.0
71.01388	100.0
72.99310	10.2
73.02947	7.8
74.45422	5.0
82.02988	23.2
85.02945	40.4
87.00883	38.8
96.99312	21.3
97.02953	14.6
99.04534	8.3
100.07690	12.1
101.02447	5.6
102.05588	13.0
104.17076	5.6
112.98801	44.3
113.02432	6.3
124.98814	58.5
125.02426	16.9
140.98305	12.7
142.99860	99.1
143.03481	23.7
144.04547	20.0
144.06664	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	138.0562
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
55.82833	1.4
62.33585	1.1
63.92196	1.1
70.11645	4.9
75.27559	1.2
82.15461	1.2
93.03470	5.6
94.03792	21.3
95.04023	1.0
95.05020	3.6
97.25281	1.0
107.04568	1.4
108.01430	2.2
108.02178	41.2
109.02512	3.8
111.00864	3.5
120.04583	1.5
123.03271	100.0
123.80781	1.1
124.03590	3.6
126.42744	1.1
134.74463	1.1
138.01965	58.9
138.05608	59.0
139.00426	1.5
139.02315	3.8
139.05949	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	138.0562
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
52.08792	1.1
53.80739	1.1
55.01868	2.9
66.03492	1.4
67.01887	2.2
69.99994	4.8
78.93635	1.1
83.01364	1.5
94.02998	1.3
94.03785	4.6
95.01392	1.3
95.05046	4.7
108.02175	4.0
111.00880	11.4
116.62721	1.1
120.04574	2.0
123.03270	100.0
124.03630	4.1
137.02019	2.8
138.01862	7.2
138.02873	12.8
138.05612	83.6
139.00349	5.8
139.02956	2.3
139.04030	3.0
139.05960	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	138.0562
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
67.01904	1.8
69.50436	7.0
77.01252	1.0
83.01364	1.6
84.65072	1.1
86.90643	1.0
87.61490	0.8
93.03447	3.0
94.03801	9.7
95.05029	4.1
108.02190	6.2
111.00889	7.2
111.04562	0.9
120.04546	2.1
123.03271	100.0
124.03628	5.3
138.01898	9.9
138.02924	4.8
138.05605	59.3
139.00348	2.7
139.03976	3.2
139.05956	5.0
154.39973	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	141.0195
Annotation	4-Hydroxymuconic semialdehyde
Peak:m/z	Relative Intensity
55.01881	35.0
57.03448	51.4
58.93317	4.7
59.01368	17.2
62.54981	4.3
67.01889	19.9
68.99812	50.2
69.03459	41.6
69.54440	26.3
69.54856	12.4
71.01382	33.3
79.01898	4.6
83.01392	11.9
85.02948	100.0
86.00095	60.0
86.03247	5.2
87.00883	8.1
95.01393	87.9
97.02951	25.7
98.19809	9.1
99.00875	34.9
111.00895	45.8
113.02448	91.8
114.02789	5.2
123.00899	29.0
141.01933	71.5
142.05022	6.0
156.81227	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	137.0245
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
65.03954	1.3
65.59966	0.2
70.00153	1.2
81.03463	0.9
88.31039	0.3
93.03457	100.0
94.03786	5.3
94.67244	0.3
108.02165	2.3
109.02958	1.2
115.00938	0.3
121.06613	0.9
123.03254	0.7
136.01614	1.6
136.86256	0.9
136.89162	2.1
137.02444	23.5
137.09744	0.7
138.01877	2.0
138.02840	1.6
138.05627	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	137.0358
Annotation	4-Nitroaniline
Peak:m/z	Relative Intensity
62.29432	1.1
65.03947	1.5
67.01914	1.7
71.61614	1.4
73.58682	1.2
77.34822	0.9
81.03459	3.3
93.03461	63.0
94.02988	100.0
95.01385	1.3
95.02747	1.3
95.03304	4.9
104.12115	1.0
108.02143	6.0
108.04546	2.8
109.02965	7.2
110.02499	1.1
119.02507	8.2
122.03820	1.2
123.03268	2.8
136.00604	1.2
136.01648	6.5
137.02441	46.9
137.03566	57.5
138.01962	6.6
138.02907	2.3
138.03915	1.9
138.05615	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	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
56.52421	0.4
82.98717	0.4
94.03790	1.3
95.01403	0.6
104.58102	0.4
108.02177	73.1
109.02509	4.0
111.00883	1.5
138.01968	100.0
139.00391	0.6
139.01421	0.7
139.02322	5.9
139.04002	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	138.0562
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
51.11042	1.0
55.01883	2.7
64.01963	1.1
65.99839	1.2
67.01891	3.4
68.99811	1.1
69.03461	1.3
70.03488	1.0
70.07375	4.8
83.01402	2.7
91.11577	1.2
93.03472	3.8
94.03036	2.0
94.03134	2.1
94.03785	13.9
95.04995	1.3
98.62110	1.1
108.02182	27.6
109.02498	1.9
110.02490	1.2
111.00886	12.8
111.04556	1.0
122.02508	1.8
123.03268	68.2
124.03595	3.6
136.00464	1.6
137.89229	1.3
138.01955	41.3
138.02837	6.3
138.05611	100.0
139.00388	6.1
139.02295	2.3
139.04030	3.6
139.05968	5.9
154.01540	1.2
155.02193	1.5
156.25905	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	135.0453
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
57.79905	0.6
58.58269	0.7
61.42442	0.7
62.47677	0.7
65.23347	0.7
67.75277	0.6
69.29159	7.6
72.62630	0.6
79.05555	0.8
89.03982	2.0
91.05511	0.8
97.11197	0.7
106.04260	2.0
107.05051	5.5
111.78680	0.7
117.03468	1.8
131.01874	0.7
131.54826	0.7
134.03745	21.7
134.89490	4.1
135.04529	100.0
136.04836	7.3
144.36761	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	135.0453
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
54.70529	0.6
57.97939	0.6
63.72417	0.6
67.23672	0.7
70.78341	1.8
89.03964	1.6
91.05515	1.2
95.62178	0.6
99.74503	0.6
105.40951	0.5
106.04250	1.5
107.05062	5.1
117.03450	2.3
134.03743	21.6
134.86565	2.7
134.89462	3.7
135.04527	100.0
135.89394	0.7
136.04846	7.0
138.90833	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	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30515	0.3
65.03959	0.7
69.84846	1.6
71.06653	0.4
73.76088	0.3
80.62995	0.4
81.03473	3.5
82.91895	0.4
83.05390	0.4
86.30526	0.3
91.01903	1.2
93.03461	21.2
94.03794	1.0
98.20604	0.4
108.02177	5.8
109.02307	0.4
109.02967	4.0
119.01392	1.3
123.53697	0.4
136.01665	12.5
137.02449	100.0
138.02780	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	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37687	0.3
65.03957	0.8
71.35628	0.4
81.03465	3.8
91.01894	1.2
93.03463	7.7
104.40876	0.4
108.02187	5.3
109.02977	4.5
110.41335	0.4
119.01391	1.3
136.01662	11.7
137.02448	100.0
138.01750	0.5
138.02792	6.8
144.83589	0.3
145.75923	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	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
52.32270	0.8
59.01385	9.2
67.96950	0.7
69.51223	2.1
69.51644	4.4
71.01387	4.5
72.99306	16.6
75.00874	100.0
76.01214	2.4
87.00852	0.8
89.02449	8.2
92.05032	1.1
93.03440	1.8
105.91562	0.9
106.04255	3.0
107.05032	13.3
108.02177	1.5
108.05362	1.2
117.01947	1.4
123.04494	1.5
134.03746	4.5
134.86569	3.1
134.89465	10.3
135.03000	21.9
135.04524	33.7
135.89478	1.1
136.01694	1.3
136.04895	2.3
136.47534	0.8
137.93300	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	135.0453
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
55.43950	0.7
70.04419	1.7
70.04816	1.7
77.09019	0.8
78.73805	0.6
82.60383	0.9
84.39690	0.7
89.03944	1.4
90.20541	0.8
91.05518	0.7
97.97785	0.7
106.04272	1.7
107.05030	6.1
108.02143	0.9
117.03429	1.4
134.03746	17.7
134.89507	5.0
135.04530	100.0
136.04866	6.6
152.40385	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	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
69.23361	0.9
71.01385	5.3
71.65340	1.1
72.99296	1.1
77.03967	3.5
89.02442	1.3
89.03967	1.8
89.72488	0.9
95.05016	1.7
104.02682	3.2
105.03450	4.4
107.03630	3.0
114.89020	1.0
115.00368	4.3
115.01897	3.3
123.04465	0.8
132.02188	23.7
132.86806	15.3
132.90063	2.0
133.02968	100.0
134.03276	6.8
134.04721	7.7
146.85541	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	133.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47909	1.0
51.33393	0.9
53.22329	1.0
69.38634	10.0
71.01380	1.6
77.03976	1.4
91.18732	1.2
95.05022	1.4
103.13844	1.3
104.02682	2.4
105.03439	2.9
107.03626	1.1
115.00362	1.8
115.01880	5.4
119.94096	1.0
132.02184	24.5
132.86781	7.0
133.02957	100.0
134.03282	6.6
134.04735	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	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
58.13682	1.8
65.00328	4.2
69.29107	19.7
69.29420	2.1
71.01379	3.5
75.19073	1.8
77.03964	24.3
78.04259	2.1
89.03975	9.9
89.27193	2.0
91.91175	1.7
93.03466	3.0
95.05020	40.8
96.47620	1.7
98.19817	3.8
100.11282	1.8
105.03465	86.6
106.03822	3.4
115.00365	2.3
121.02961	2.9
123.04533	4.4
132.02170	19.5
133.02965	100.0
134.03343	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	133.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13682	1.8
65.00328	4.2
69.29107	19.7
69.29420	2.1
71.01379	3.5
75.19073	1.8
77.03964	24.3
78.04259	2.1
89.03975	9.9
89.27193	2.0
91.91175	1.7
93.03466	3.0
95.05020	40.8
96.47620	1.7
98.19817	3.8
100.11282	1.8
105.03465	86.6
106.03822	3.4
115.00365	2.3
121.02961	2.9
123.04533	4.4
132.02170	19.5
133.02965	100.0
134.03343	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	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63261	0.5
57.70775	0.4
65.00273	0.4
65.01447	1.5
67.45834	0.4
70.67506	1.4
73.07745	0.4
80.02572	0.5
86.71112	0.4
88.93861	0.4
92.02546	11.4
98.38593	0.4
107.03641	37.9
107.87904	0.4
108.03963	1.0
134.04732	100.0
135.03278	0.6
135.04301	1.1
135.05066	3.7
146.31378	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	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
52.47762	0.7
54.92207	0.7
65.00323	1.3
70.93499	1.7
71.01404	4.0
72.99306	0.9
73.08449	0.7
77.03978	2.1
83.59556	0.8
87.00901	0.7
89.03982	2.1
90.84150	0.7
92.02554	1.0
95.05043	1.4
99.94107	0.6
104.02692	2.1
105.03455	5.6
107.03617	1.7
107.70182	0.7
112.90759	0.7
115.00375	3.2
115.01894	2.4
118.39789	0.7
132.02179	24.1
132.86803	3.3
133.02963	100.0
134.03310	5.4
134.04729	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	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
54.66930	0.8
54.75878	0.8
63.22363	0.8
65.00329	0.9
69.41898	7.5
77.03976	3.4
89.03972	2.6
95.05042	3.7
99.32591	0.8
104.02682	2.1
105.03481	10.9
106.03852	1.3
111.55478	1.0
115.01910	3.2
132.02173	24.6
133.02963	100.0
134.03296	8.1
138.54207	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	133.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	3.9
69.39092	15.5
71.01376	8.5
77.03968	22.1
85.16712	1.5
89.03980	7.4
92.02578	1.8
93.03491	3.4
95.05022	27.6
104.02687	2.2
105.03463	64.9
106.03818	3.7
107.03644	4.5
115.00361	10.9
115.28165	1.8
121.02962	2.0
123.04527	4.6
132.02156	16.7
132.86772	12.9
132.90028	3.4
133.02960	100.0
134.02435	2.6
134.03377	7.1
134.04683	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
50.57036	0.8
52.65789	0.8
59.01385	1.4
60.09228	0.8
69.35492	7.7
71.01383	81.3
72.01731	2.2
72.99312	19.3
77.03969	1.9
87.00893	1.8
87.04510	1.0
89.02466	6.4
95.05025	2.6
105.03445	4.0
107.03617	2.2
115.00375	100.0
116.00679	3.4
132.02116	1.5
132.86775	3.6
133.01434	20.5
133.02940	9.9
133.05060	1.5
134.04695	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	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
57.03440	1.2
65.00303	1.3
71.01400	5.6
72.99293	2.2
75.24750	1.0
77.03972	3.4
79.66932	1.1
87.04498	1.4
89.03967	2.0
89.44575	0.9
95.05059	2.4
104.02694	2.2
105.03444	7.6
105.36705	1.3
107.03663	3.2
110.13034	1.1
113.99787	1.1
115.00394	4.3
115.01902	3.0
132.02176	25.6
132.86789	20.8
132.90041	2.9
133.02960	100.0
134.03261	5.7
134.04729	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	131.0715
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
54.07434	0.7
66.88309	0.9
69.69489	5.3
73.02919	1.4
79.87880	1.0
83.05083	1.0
85.06593	100.0
86.06915	4.5
89.40327	0.7
98.20638	0.9
103.89840	0.9
125.88437	0.8
127.66284	0.8
129.05562	1.0
131.07144	38.6
132.07484	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	131.0715
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
50.68642	0.8
53.22821	0.9
54.48207	0.8
55.01876	0.8
57.03445	3.4
59.01371	3.3
63.85374	0.8
68.71004	0.8
69.03461	1.0
71.01380	9.2
73.02950	14.1
75.00871	1.2
79.80964	0.8
83.05029	1.8
85.02959	9.5
85.06591	100.0
86.06909	6.0
87.04513	1.9
100.34696	0.8
101.02454	1.4
113.02428	1.9
113.06109	1.1
127.21833	0.8
129.05627	1.3
131.03551	3.4
131.05020	1.4
131.07141	40.2
132.03636	1.1
132.04565	13.4
132.07468	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	125.0246
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
55.01876	3.8
65.19923	3.5
68.26489	3.7
68.99814	10.4
69.03461	54.0
69.97573	17.2
70.08381	3.1
72.32394	4.1
73.06952	3.5
81.03491	4.0
83.01411	7.1
95.01371	6.1
97.02957	77.0
97.26163	4.2
107.01485	4.1
108.02168	3.4
112.48624	3.5
114.01842	3.8
125.02457	100.0
129.67336	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	129.0559
Annotation	6-Hydroxyhexan-6-olide
Peak:m/z	Relative Intensity
56.74987	18.4
57.03453	41.3
70.02276	59.1
70.02679	42.2
83.05025	38.7
124.53851	20.1
128.90161	38.6
129.01891	35.4
129.05585	100.0
130.08720	87.1
144.65146	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	129.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	11.7
57.03438	17.2
67.01885	9.8
71.01365	12.0
71.17161	18.8
73.02927	16.8
82.58286	9.5
83.01398	13.2
85.02950	24.3
88.04041	14.2
111.00883	16.6
128.90164	42.5
129.01927	24.5
129.05589	28.2
130.06639	78.1
130.08731	100.0
131.73457	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	130.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04153	1.1
55.56375	1.0
70.45331	3.7
70.45682	1.4
71.54828	1.2
73.02950	1.6
76.37378	1.2
82.86442	1.3
83.32218	1.1
88.04054	2.3
117.13886	1.5
130.08745	100.0
131.09081	6.5
139.44543	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	131.0715
Annotation	2-Hydroxy-4-methylpentanoic acid
Peak:m/z	Relative Intensity
51.00991	1.5
57.03440	6.0
57.72955	1.4
59.01385	13.1
59.96616	1.5
68.99809	2.1
69.03439	4.2
71.01380	16.3
71.13001	3.3
71.13365	2.6
72.99328	1.8
73.02950	33.3
75.00886	3.6
85.02950	18.0
85.06593	100.0
86.06919	3.6
87.04515	5.4
101.02441	3.6
113.02439	3.3
123.13911	1.6
131.03500	5.0
131.07143	41.6
132.04622	4.1
132.07359	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.25332	1.9
65.18808	1.4
70.91528	3.3
70.91872	3.7
80.64548	1.7
93.03457	4.3
94.02972	3.8
108.02164	3.0
116.56973	1.7
121.02961	100.0
122.02512	4.4
122.03320	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03989	0.3
69.82043	1.3
72.58355	0.2
81.18819	0.2
91.01898	1.2
92.02711	0.3
93.03460	2.7
94.03018	0.3
95.01379	0.8
108.02186	4.3
109.02535	0.3
119.01416	0.3
119.21464	0.2
121.02957	100.0
122.02601	0.3
122.03294	7.0
135.36345	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
57.14386	0.6
59.06588	0.7
63.02586	0.6
63.28706	0.6
69.28614	0.8
71.24141	1.5
82.16967	0.8
90.52971	0.7
92.43964	0.7
93.03463	7.4
94.02983	10.5
95.01415	1.2
108.02158	3.4
121.02958	100.0
122.02479	6.9
122.03313	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	1199.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00898	0.6
89.02444	0.9
93.03415	0.4
96.95988	0.3
101.02427	1.0
105.03482	0.3
112.13784	0.2
113.02428	0.5
121.02937	0.9
122.03719	0.8
123.04551	1.8
132.02132	0.3
133.02965	3.5
134.03741	2.4
135.04539	1.5
137.02449	3.3
139.03979	0.7
146.03714	1.3
147.04498	0.8
149.02429	0.6
150.03221	0.9
151.04030	2.1
154.02724	0.3
158.03740	0.2
159.04526	1.3
160.05290	1.5
161.02495	1.5
161.06041	0.5
172.05304	1.7
173.06068	1.6
174.03169	1.3
174.06816	0.6
175.03928	1.2
175.07570	0.4
176.04726	0.3
178.02724	3.9
179.03445	0.5
183.13814	0.4
184.05310	0.3
185.06026	0.6
186.06851	1.0
187.04005	2.3
187.07628	0.3
187.53716	0.2
188.04781	0.5
189.05551	0.5
190.06343	2.6
196.05280	0.3
197.06029	0.3
199.07623	0.2
200.04730	1.0
201.05586	1.6
202.06386	2.2
204.04291	0.4
211.13422	2.2
218.05812	0.3
221.06671	0.6
227.03427	0.4
228.04282	0.3
241.12234	0.5
246.05330	0.5
249.18628	1.1
255.13890	0.6
257.15546	0.4
259.13654	0.3
261.14828	0.3
271.13342	1.6
283.13400	9.8
284.13739	1.0
285.15085	0.5
287.16507	0.9
289.14462	0.6
297.15070	1.3
299.12823	1.0
299.16452	1.2
301.14468	5.8
301.17880	0.2
309.14966	2.8
311.13058	0.5
313.14404	0.7
315.16031	6.5
316.16214	0.4
317.13870	0.7
317.17612	0.7
325.14542	1.4
327.16031	5.3
328.16623	0.3
333.17050	2.9
335.18555	0.3
343.15598	1.3
345.17126	1.7
353.14124	0.7
389.16086	0.3
407.16724	0.4
407.33151	0.4
683.26343	0.3
743.31866	0.6
787.30804	0.3
805.32141	0.6
975.49463	1.8
976.50867	0.4
988.07709	0.3
1001.46381	0.3
1019.48846	2.5
1020.48511	0.4
1037.49658	100.0
1038.49829	21.4
1199.53186	2.4
1200.52417	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01373	2.5
69.29765	3.6
69.30196	3.6
71.01388	0.9
91.05537	1.9
93.03462	4.6
101.92422	1.5
104.02690	0.9
117.03410	0.7
118.92661	5.2
119.05027	100.0
120.05358	6.9
126.29266	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	1191.7204
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01410	2.4
85.02959	9.3
95.01404	1.4
97.02972	1.4
99.00897	2.8
100.92970	1.1
101.02448	18.9
102.67127	1.2
113.02464	4.7
125.02457	1.9
133.02939	1.4
134.64676	1.1
135.04568	1.2
140.57838	1.0
161.02457	1.9
161.04570	5.0
179.03627	1.3
181.66541	1.2
188.62682	1.3
257.54077	1.2
310.08917	1.2
366.41214	1.3
412.22125	1.2
441.30020	2.3
453.35349	1.2
457.33255	26.1
458.33578	2.9
481.33426	1.9
527.33984	2.4
569.99194	1.4
601.37427	30.6
602.37555	3.2
619.38501	44.3
620.30042	1.4
620.39008	5.2
661.39606	100.0
662.39862	17.8
833.19037	1.3
1175.59009	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
56.48380	0.5
59.01367	1.6
69.32243	3.5
69.32645	1.0
71.01397	0.5
72.73196	0.3
91.05541	1.3
93.03457	5.3
101.92443	0.8
106.64888	0.5
117.03447	0.8
118.92660	2.2
119.05025	100.0
120.04572	0.5
120.05360	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01377	4.1
67.93249	0.7
71.01382	1.3
71.33303	1.6
76.47805	0.7
91.05553	0.9
93.03456	5.1
95.74612	0.6
100.81351	0.6
101.92425	3.5
104.85699	0.7
117.03457	1.1
118.92645	8.1
118.93449	0.9
119.05032	100.0
120.05373	6.1
128.90643	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	119.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00322	0.4
59.01380	1.7
62.10040	0.4
65.03970	0.5
69.48186	2.9
71.01385	0.4
79.48957	0.4
91.05531	1.4
93.03468	4.9
94.89449	0.3
101.92430	0.9
104.02691	0.5
117.03499	0.6
118.92641	1.9
118.93406	0.7
119.05027	100.0
120.04523	0.6
120.05367	7.8
134.56485	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	119.035
Annotation	3,4-Dihydroxybutanoic acid
Peak:m/z	Relative Intensity
54.95482	2.1
55.01875	7.3
58.00583	5.5
59.01381	87.3
61.98835	10.2
69.82920	5.0
69.83335	8.8
71.01385	100.0
72.01710	3.1
72.99323	10.9
73.02962	3.1
78.09032	2.6
83.01374	3.4
84.10822	2.4
89.02447	7.7
89.21328	2.5
101.02454	5.5
106.89261	2.4
119.01457	2.4
119.03502	5.5
119.05023	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01371	2.6
70.48836	0.6
71.01375	0.7
71.65840	1.0
78.77310	0.7
90.02994	0.7
91.05543	2.0
93.03458	3.9
97.73445	0.7
101.92410	2.5
101.93022	0.8
117.03439	1.4
118.92651	7.1
118.93208	1.0
119.05028	100.0
120.05341	7.0
134.00729	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	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01865	0.8
55.12418	0.4
67.69427	0.4
69.90681	2.3
73.02950	100.0
73.94582	0.4
74.03281	4.1
77.51534	0.5
78.93966	0.5
86.05488	0.4
99.00889	8.4
99.92594	3.6
116.92863	8.9
117.01943	13.5
117.92931	0.9
118.02242	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	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.87283	0.4
62.37359	0.4
70.08941	1.4
73.02946	100.0
74.03285	3.6
74.57069	0.3
76.58118	0.3
99.00887	9.1
99.92584	2.3
100.01269	0.4
112.95772	0.4
116.92871	6.8
117.01941	11.9
117.92885	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	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
70.06789	2.1
71.01431	0.4
73.02952	100.0
74.03281	3.1
74.47492	0.4
81.05910	0.4
87.22196	0.4
91.43565	0.4
99.00886	8.9
99.92591	3.1
116.92875	6.7
117.01950	13.1
117.92873	0.6
118.02308	0.8
132.10825	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	1169.7354
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01343	0.1
83.04988	0.1
83.41300	0.0
85.02918	0.1
89.02443	0.1
97.06569	0.0
98.19894	0.1
101.02429	0.2
109.02901	0.1
113.02433	0.2
119.03488	0.1
119.04224	0.1
119.05025	0.8
119.08638	0.2
120.05349	0.2
121.40803	0.0
132.02135	0.1
133.02916	0.2
134.03700	0.1
135.04538	0.3
137.02435	0.1
160.01648	0.2
161.02443	0.5
161.04471	0.1
162.02788	0.1
163.04051	0.3
175.03940	0.3
176.04292	0.1
177.05595	0.1
179.03484	0.2
189.12743	0.1
191.14439	0.2
194.56506	0.0
197.04625	0.1
239.14372	0.1
311.05783	0.1
323.07800	0.1
325.19562	0.2
337.09290	0.1
341.22632	0.1
343.24298	0.2
355.24280	0.1
357.21896	0.1
357.25912	0.8
358.26257	0.1
359.23822	0.1
359.27484	0.5
360.28070	0.1
363.26971	0.1
371.27484	0.1
373.24957	0.4
373.29630	0.2
374.25781	0.1
375.26898	0.2
377.28464	0.2
379.29990	0.2
385.27435	0.1
386.28220	0.1
387.27158	0.1
389.28439	2.5
390.29166	0.2
391.26193	0.4
391.30542	1.0
392.30573	0.1
393.27426	0.1
393.31677	0.7
394.32043	0.1
397.22287	0.1
399.24017	0.2
403.26151	0.2
403.30792	0.2
405.31866	0.1
407.29526	5.2
408.29840	0.5
409.26416	0.1
409.31155	1.3
410.31244	0.2
417.24399	0.1
419.29581	0.8
421.26413	0.1
421.31076	0.2
423.33359	0.2
425.30554	0.9
426.30804	0.1
427.32565	0.3
435.29019	0.3
437.30499	0.4
438.30762	0.1
439.32172	0.3
441.33862	1.0
442.33829	0.1
443.31888	0.1
451.28464	0.1
453.30035	0.7
455.31482	0.1
457.33221	3.4
458.33633	0.5
459.26138	0.3
459.34918	0.5
467.31439	0.1
469.29691	0.1
473.32782	0.4
483.31110	0.2
484.31564	0.2
485.32755	2.1
486.33157	0.2
487.32495	0.1
501.14096	0.3
501.32303	0.5
502.14447	0.3
502.32642	0.6
503.33762	100.0
504.34103	11.4
505.34641	0.2
601.37280	0.1
663.38129	0.1
665.39276	0.3
1169.73694	3.3
1170.73828	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	1167.7562
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	0.3
83.05030	1.0
87.00916	0.1
89.02434	0.4
95.05003	0.2
97.06580	0.1
101.02449	0.7
111.94758	0.1
113.02454	0.4
135.04562	0.1
135.08211	0.1
143.03467	0.2
155.11546	0.1
161.04529	0.4
163.11287	0.8
165.12912	0.5
179.05595	0.3
191.10832	0.3
209.11826	52.4
210.12146	2.3
227.12881	6.8
228.13188	0.4
231.17592	0.1
235.08250	0.9
249.18588	29.1
250.18900	1.8
253.09293	4.2
254.09558	0.2
356.61002	0.1
377.28381	0.3
389.28748	0.1
393.31525	0.8
405.31332	0.1
423.32706	1.2
424.33112	0.1
425.34637	0.1
427.19788	0.3
445.20773	4.4
446.21240	0.4
463.21915	0.5
469.33478	0.2
470.33762	0.3
471.34769	100.0
472.35114	11.5
485.27435	1.0
582.21289	0.1
677.39056	0.4
695.40167	0.4
772.52423	0.1
1067.27271	0.1
1116.81226	0.1
1133.78284	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	116.0507
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
58.57908	0.4
59.01370	0.5
60.27124	0.3
63.73260	0.3
64.84755	0.3
68.42829	0.3
69.35008	3.1
69.35338	0.6
71.01392	0.4
71.05048	0.4
73.02947	15.6
73.15855	0.3
99.00884	1.2
99.92583	39.3
116.05065	51.6
116.07184	1.3
116.92859	100.0
117.01951	1.9
117.05402	4.3
117.82600	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	1163.7096
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03477	0.1
82.38509	0.0
83.01379	0.3
83.05042	0.0
85.02948	0.5
87.00876	0.7
89.01902	0.1
89.02449	1.6
91.04031	0.1
95.01405	0.2
97.02966	0.4
98.20584	0.1
99.00901	0.2
101.02447	2.4
102.02802	0.1
109.02946	0.1
111.00851	0.0
111.04525	0.1
113.01675	0.1
113.02451	1.2
113.03222	0.1
115.04039	0.1
119.03503	0.6
121.02958	0.1
123.00877	0.1
125.02444	1.3
126.02769	0.0
131.03508	0.2
133.05081	0.1
139.04021	0.1
141.01920	0.1
143.03502	0.6
149.02405	0.0
149.04578	0.0
157.05034	0.1
161.04553	0.6
167.03561	0.1
169.05054	0.1
179.05603	0.6
185.04507	0.1
199.06168	0.1
204.32976	0.0
217.07132	0.1
219.05130	0.0
221.06590	0.3
233.22601	0.0
234.87552	0.0
235.08223	1.7
236.08618	0.1
245.06729	0.1
253.09277	0.3
259.20688	0.1
263.07745	0.1
277.21716	8.7
278.22092	0.5
287.07684	0.6
305.08765	0.8
323.09900	0.2
341.23071	0.0
373.29236	0.0
375.26923	0.0
377.28653	0.1
379.12518	0.1
379.30301	0.2
391.30206	0.1
393.31781	0.1
397.13495	25.7
398.13815	1.4
401.28333	0.1
407.29712	0.2
409.31049	0.3
410.31427	0.1
411.29337	0.0
415.14566	7.8
416.14883	0.4
421.31125	0.3
423.32642	0.1
425.34634	0.1
439.32349	0.1
441.33701	0.1
469.32901	0.2
485.32932	0.1
486.33167	0.1
487.34265	100.0
488.34607	11.5
675.35944	5.6
676.36310	0.7
1163.70056	0.3
1164.71387	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	1159.6781
Annotation	Unknow
Peak:m/z	Relative Intensity
84.71350	0.1
85.02952	0.2
87.00874	0.3
89.02437	0.6
91.11569	0.1
97.02958	0.2
98.74681	0.1
101.02442	0.9
113.02425	0.6
119.03504	0.3
123.70335	0.1
125.02445	0.6
143.03485	0.3
161.04527	0.3
167.03621	0.1
179.05602	0.3
235.08243	1.0
253.09329	0.2
277.21698	4.5
277.24731	0.2
278.21997	0.2
287.07794	0.4
305.08905	0.5
339.23151	0.2
361.25314	0.1
362.80533	0.1
363.26941	0.2
377.28046	0.1
391.26224	0.2
397.13483	12.5
398.13821	0.7
407.29428	0.6
415.14539	4.1
416.15115	0.2
435.29144	0.7
453.16885	0.2
453.30084	38.3
454.30426	5.0
483.31137	100.0
484.31485	11.1
487.34268	0.2
675.35980	2.0
676.35962	0.2
1105.77820	0.1
1114.05701	0.1
1159.69312	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	1155.5442
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95741	6.4
80.96517	31.6
81.03461	0.2
85.02960	1.5
87.00894	1.4
94.98091	8.4
95.01410	0.2
96.95987	0.7
97.02945	0.9
99.00882	0.4
101.02457	1.1
106.98080	1.4
113.02431	0.3
122.97591	1.7
125.02460	2.0
127.04036	0.5
134.97575	2.5
136.99135	0.8
146.97536	0.2
148.99153	3.7
152.98634	2.7
164.98634	7.5
167.00084	0.2
190.57156	0.2
206.99672	2.1
225.00743	12.8
226.01064	0.2
277.21756	1.3
299.04431	3.2
317.05362	0.2
318.90533	0.2
577.26849	100.0
578.27191	10.8
644.77417	0.2
888.55658	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	1152.7115
Annotation	Unknow
Peak:m/z	Relative Intensity
115.82854	0.4
117.03473	23.6
118.03786	0.9
119.05029	10.8
121.02942	1.1
145.02959	59.8
146.03256	2.2
152.99570	1.4
161.02461	0.4
162.03294	0.4
163.04025	6.8
168.04332	1.2
224.06834	2.2
242.08018	1.0
266.54495	0.4
279.23285	33.1
280.23486	1.8
442.02536	0.4
469.33102	0.8
504.30981	62.6
505.31351	5.1
513.31836	0.6
571.38123	0.7
573.35138	0.5
589.38995	3.1
590.39160	0.6
597.25720	0.5
615.36914	3.0
616.37128	0.8
630.33246	0.4
633.37964	100.0
634.27539	0.8
634.38263	14.6
847.28046	0.4
875.44287	1.8
876.44012	0.7
1093.66260	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	1151.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03471	0.1
83.01396	1.9
83.05025	0.1
85.02936	0.5
97.02946	0.4
99.00888	0.2
99.04514	0.2
101.02447	4.8
101.42315	0.1
109.02944	0.2
111.04461	0.1
112.46040	0.1
113.02460	1.2
122.03732	0.2
125.02454	0.8
131.03477	0.4
133.02946	0.3
135.04517	0.2
143.03497	1.0
147.11861	0.1
149.09732	0.2
155.03516	0.7
161.02457	0.6
161.04538	0.6
163.11302	0.1
167.10773	6.0
168.11049	0.2
179.03455	0.1
181.12369	0.4
191.10777	2.6
192.11044	0.2
203.05615	1.5
209.11815	1.4
216.43068	0.1
221.11827	0.4
245.60994	0.1
267.06726	0.1
311.14868	0.2
359.07690	0.2
369.28247	0.2
377.28436	0.3
388.30783	0.1
391.30154	0.1
393.31799	0.3
403.29947	0.2
405.31644	0.2
415.28461	0.2
421.31219	0.4
423.32571	0.7
425.30725	0.2
427.32162	6.8
428.32657	0.7
437.30762	0.6
438.31293	0.1
439.32272	0.2
443.35309	0.7
451.32120	0.2
455.31525	0.1
467.31613	1.9
468.32135	0.3
469.33246	10.6
470.33664	1.3
481.33179	0.3
483.34927	0.7
485.32855	0.2
486.32932	0.4
487.34274	100.0
488.34634	11.5
489.34866	0.1
501.36230	2.1
502.36551	0.3
513.32013	0.3
527.33575	0.2
529.35327	4.1
530.35803	0.4
559.36267	0.4
571.36194	0.3
691.40485	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	1139.7253
Annotation	Unknow
Peak:m/z	Relative Intensity
79.35293	0.1
81.03455	0.1
83.01370	0.1
85.02942	0.2
101.02434	0.3
113.02428	0.1
118.96287	0.1
125.73459	0.1
161.02377	0.1
161.09773	0.1
169.10139	0.1
179.03426	0.1
191.14410	0.3
223.14784	0.1
307.24295	0.1
341.22989	0.1
343.24414	0.1
356.01868	0.1
357.25906	0.3
359.27475	0.2
363.26892	0.4
369.26138	0.1
373.25177	0.3
373.29373	0.1
375.26859	0.1
377.28601	0.4
379.29935	0.6
381.31870	0.1
385.29141	0.1
387.26935	0.2
389.24335	0.1
389.28586	0.5
391.26169	0.2
391.30609	0.5
393.31744	0.7
394.32199	0.1
401.28522	1.0
402.28934	0.1
403.30408	0.4
405.28101	0.2
407.29581	1.7
408.29733	0.1
409.31314	2.5
410.31345	0.2
411.32703	0.2
417.27829	0.4
419.29608	0.9
420.30103	0.1
421.31137	3.7
422.31570	0.4
423.28726	0.2
423.33694	0.1
425.30603	1.1
427.32333	0.1
435.28876	0.2
437.30768	0.2
439.32220	1.0
440.32617	0.2
441.33743	7.2
442.33917	0.7
443.31488	0.2
453.30127	1.2
454.30554	0.1
455.31784	0.2
457.33347	3.5
458.33667	0.5
459.34921	0.4
467.31528	0.1
471.31073	0.1
473.32715	2.7
474.33035	0.3
485.32733	6.6
486.33163	0.6
487.30637	0.1
501.32745	0.1
502.32635	0.2
503.33765	100.0
504.34119	8.9
635.37976	1.9
636.38690	0.2
987.55591	0.1
1139.72473	7.1
1140.72693	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	1139.725
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05029	0.1
85.02958	0.2
101.02427	0.2
111.04507	0.1
113.02435	0.2
116.06577	0.1
119.08611	0.1
133.02916	0.1
161.02432	0.2
161.04510	0.2
178.68207	0.1
179.03394	0.1
181.24409	0.1
251.14188	0.1
355.26666	0.1
363.26233	0.1
367.26370	0.2
377.28387	0.5
379.29959	0.1
387.29315	0.4
389.28394	0.1
391.30136	0.2
393.27493	0.1
393.31702	0.9
394.31870	0.1
401.28455	0.2
403.30566	0.1
407.29141	0.4
409.31223	0.3
415.32202	0.2
417.28000	0.1
419.29590	0.5
421.31076	0.9
422.31509	0.2
423.32889	1.5
424.33282	0.1
425.34457	1.4
426.34592	0.1
435.28760	0.1
437.30542	0.5
439.32083	0.4
440.32748	0.1
441.34024	0.4
443.31610	1.6
444.31888	0.1
451.28659	0.1
453.30066	1.0
454.30658	0.1
455.31885	0.2
459.35159	0.9
460.34982	0.1
467.31659	0.1
469.33301	1.8
470.33539	0.3
471.30923	0.3
473.32700	2.8
474.32745	0.4
485.32712	16.0
486.33035	1.7
501.31992	0.1
502.32596	0.1
503.33768	100.0
504.34116	10.3
635.37988	7.2
636.38397	1.0
1139.72485	2.6
1140.71655	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	1137.7277
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05069	0.1
81.03454	2.8
82.31946	0.1
83.01382	0.6
83.05025	7.1
84.05328	0.1
85.02949	1.7
87.00864	0.1
89.02448	0.4
95.01385	0.3
99.00878	0.4
100.07672	0.1
101.02448	2.8
104.05064	0.1
106.06613	0.1
107.06145	0.2
108.04563	0.3
111.00892	0.1
111.93945	0.1
113.02466	1.6
119.03521	0.2
125.02348	0.1
125.07210	0.6
126.05579	0.2
132.04570	0.6
134.06128	1.0
143.03514	0.2
143.08232	0.3
145.02925	0.1
148.04024	0.1
152.07195	0.1
157.67303	0.1
158.06190	0.2
159.02994	0.2
160.04007	0.1
161.04558	0.9
176.03526	0.2
183.14978	0.1
188.03557	0.2
199.18146	0.1
207.15033	0.7
208.13446	0.1
224.17664	1.7
225.16074	9.5
226.16307	0.4
242.18687	0.3
250.15454	0.1
251.11845	0.3
255.11220	0.1
268.16592	0.2
279.11404	0.8
290.22339	0.2
295.10797	0.2
307.24176	0.1
309.21851	0.7
323.10379	0.9
324.10611	0.1
324.26563	0.4
333.22839	0.6
339.27670	0.2
341.11368	0.1
341.29208	0.6
351.24106	0.1
355.12964	1.1
355.21262	0.2
356.13141	0.1
367.27130	1.4
368.27695	0.1
373.22284	3.9
374.22610	0.2
383.12317	0.5
385.28107	0.2
407.33856	0.2
415.15067	3.0
415.23325	6.0
416.15430	0.4
416.23624	0.4
433.31860	0.9
434.31583	0.1
450.34570	1.2
451.32904	7.4
452.32916	0.6
468.35727	0.1
476.32419	0.1
533.40875	0.1
535.38812	0.3
550.43372	1.0
551.44275	0.1
559.39478	0.5
565.44427	0.3
567.45892	0.1
593.43994	0.6
659.48541	2.5
660.48914	0.4
677.49652	100.0
678.49963	14.3
679.49994	0.4
800.94989	0.1
896.54980	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	1137.6928
Annotation	Unknow
Peak:m/z	Relative Intensity
78.83430	0.1
83.01400	0.5
85.02958	0.8
87.00864	0.9
89.02444	3.0
95.01384	0.3
97.02952	0.7
97.18285	0.1
99.00897	0.2
101.02450	3.1
101.73752	0.1
113.02436	1.6
117.03497	0.3
119.03506	0.9
119.05016	0.3
123.88242	0.1
125.02445	1.3
131.03526	0.3
141.01910	0.1
143.03520	0.5
145.02954	1.0
158.82445	0.1
161.04555	1.1
163.04050	0.4
179.04117	0.2
179.05566	1.1
221.06711	0.3
235.08215	2.5
251.20152	12.4
252.20535	0.5
253.09268	0.5
263.07800	0.2
277.09354	0.2
287.07809	1.0
305.08780	1.3
323.09863	0.2
397.13486	33.6
398.13766	1.8
415.14554	9.9
416.14951	0.4
469.33075	0.2
487.34268	100.0
488.34625	11.2
587.37646	0.2
649.34369	7.3
650.34552	0.7
1137.69751	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	1135.7448
Annotation	Unknow
Peak:m/z	Relative Intensity
79.02510	0.2
80.39541	0.2
81.06709	0.2
89.03983	0.3
95.05070	0.4
105.03465	1.6
117.03452	0.2
119.05060	0.3
123.04429	0.2
132.02171	5.6
133.02963	10.1
134.03741	6.1
135.04471	0.3
137.02460	0.3
147.04543	0.3
149.06102	1.9
153.05585	0.3
157.49756	0.2
160.01657	21.8
161.02058	1.1
169.24300	0.2
175.03998	21.9
176.04344	0.8
177.01901	1.9
178.02722	0.5
192.04211	0.2
193.05040	5.7
194.05389	0.3
297.15265	0.3
418.30353	0.2
423.32626	1.1
424.33105	1.0
425.33478	0.5
439.32162	0.2
451.31961	0.2
467.19672	0.2
469.33185	1.9
470.33530	1.8
471.34735	17.3
472.35089	1.8
495.30994	0.4
505.29575	0.4
518.30481	0.2
531.30017	0.3
561.35040	0.2
571.34558	0.2
601.39093	0.5
603.37494	0.2
604.37555	1.4
619.39996	2.7
620.40491	0.5
630.35413	0.4
633.57153	0.2
645.37860	2.7
646.37970	0.4
648.36737	3.8
649.36987	0.7
663.38989	100.0
664.39331	15.5
665.39618	0.5
1116.16785	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	113.0245
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01871	1.4
57.03452	26.8
58.03785	1.1
58.24880	0.6
67.01897	3.4
68.99574	31.1
69.03476	1.3
70.94833	1.8
71.01385	2.4
83.01402	1.3
84.02176	2.6
85.02954	20.6
86.03304	1.0
87.00856	1.0
95.01392	8.2
98.24556	0.6
112.01674	3.2
113.02454	100.0
114.02077	0.9
114.02759	4.2
114.05604	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	113.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51564	0.4
55.01890	2.4
56.08506	0.3
57.03451	5.0
62.77939	0.4
67.27156	0.4
68.25336	0.4
68.99576	100.0
69.99911	0.9
70.58366	1.2
71.01363	0.9
72.99306	0.5
83.01414	1.2
84.02155	2.6
84.11821	0.4
85.02954	15.7
86.03284	0.4
95.01369	0.5
112.89639	1.0
112.98592	2.5
113.02460	2.7
114.05597	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	113.061
Annotation	cis-Ethyl crotonate
Peak:m/z	Relative Intensity
55.01878	9.0
57.03451	42.0
67.01895	3.7
68.99578	54.2
69.03452	4.6
69.82684	5.5
69.83077	6.5
70.56908	2.4
71.01385	9.4
71.75063	2.5
75.08370	2.3
78.94368	2.8
83.01390	6.7
84.02169	13.3
85.02953	100.0
86.03287	4.3
108.13455	2.3
113.02454	42.7
113.06097	32.6
114.01986	3.5
114.02794	3.2
114.05628	19.3
114.06331	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	1128.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02954	0.5
88.72182	0.3
109.02947	0.8
121.02955	1.0
122.03745	0.7
123.04516	1.0
133.02934	2.3
134.03760	1.9
135.04517	1.4
137.02451	3.4
139.03973	0.5
144.52766	0.4
146.03737	0.6
147.04517	0.7
150.03192	0.8
151.03986	1.5
159.04523	1.1
160.05266	1.5
161.02441	1.9
161.06085	0.6
172.05261	1.5
173.06071	1.7
174.03215	1.0
174.06822	0.6
175.03963	1.4
175.07739	0.4
176.04721	1.0
178.02730	2.7
179.03406	0.5
183.04591	0.6
185.06044	0.4
186.06837	0.7
187.03961	1.7
190.06358	2.3
191.26527	0.4
200.04752	0.6
201.05563	1.4
202.06284	1.8
204.04451	0.4
209.04596	0.3
211.13388	1.2
223.17191	0.3
232.07988	0.3
247.59891	0.5
271.13419	1.8
277.21704	4.6
283.13419	9.5
284.13736	0.4
285.14972	0.5
287.16534	0.7
289.14572	0.5
297.15012	1.0
299.13361	0.6
299.16531	0.9
301.14407	4.1
309.14954	2.4
311.12842	1.1
313.14468	0.4
315.16013	6.2
316.16422	0.4
316.35498	0.3
317.14169	0.4
317.17596	0.7
325.14331	1.0
327.16058	4.8
333.17023	1.8
343.15591	0.6
345.17032	1.6
389.16229	0.5
427.01331	0.4
528.53473	0.4
559.18646	0.5
643.26318	0.5
841.47131	1.2
885.47040	2.0
903.47498	100.0
904.47815	16.4
949.41205	0.4
1009.38507	0.6
1065.50427	4.5
1066.51001	0.8
1074.14783	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	1128.502
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96512	0.7
83.01429	0.3
85.02930	0.4
87.00881	0.6
89.02456	2.3
93.03410	0.3
97.02960	0.4
101.02454	2.2
109.02963	0.4
113.02447	1.1
119.03469	0.6
121.02957	1.2
122.03765	0.6
123.04520	1.6
125.02429	0.9
125.83351	0.3
133.02960	3.6
134.03766	1.8
135.04535	1.2
137.02469	2.8
139.04051	0.9
143.74036	0.3
146.03722	1.0
147.04543	0.5
150.03206	0.6
151.03986	2.5
158.03714	0.3
159.04510	1.1
160.05296	1.3
161.02477	1.6
161.04547	0.5
161.05989	0.6
164.98703	0.3
168.35745	0.3
172.05322	1.4
172.44962	0.3
173.06049	1.8
174.03152	0.6
174.06915	0.4
175.04062	1.5
175.07510	0.4
176.04761	0.4
177.78125	0.3
178.02686	4.0
179.03400	0.6
179.05536	0.5
185.06117	0.3
186.06860	0.9
187.03998	1.2
187.07684	0.4
189.05621	0.4
190.06380	2.5
200.04768	0.6
201.05542	1.1
202.06337	2.2
204.04247	0.4
211.13388	2.4
217.12111	0.3
235.08234	0.8
253.09221	0.4
255.13908	0.3
255.23291	3.0
256.23669	1.8
257.15448	0.4
257.23807	0.5
259.13400	0.5
271.13440	1.4
273.15167	0.4
277.21667	2.8
283.13385	9.6
284.13669	0.8
285.14908	0.6
287.16547	0.6
289.14255	0.9
297.14960	1.4
299.13150	0.6
299.16626	0.9
301.14481	6.1
305.08694	0.5
305.17667	0.5
309.14984	2.6
311.12787	0.9
313.14441	0.6
315.16010	7.3
317.14093	0.5
317.17651	0.7
323.09763	0.4
325.14456	1.1
327.12494	0.5
327.15997	5.9
333.17111	2.4
343.15405	1.1
345.17087	1.6
397.13480	9.5
398.13828	6.4
399.13879	3.1
407.17279	0.7
415.14468	2.1
416.14957	1.5
417.14905	0.8
471.34775	16.3
472.35120	24.0
473.35428	13.5
474.35638	1.9
537.23230	0.5
581.26056	0.4
625.24872	0.7
626.12970	0.3
643.26068	1.2
653.37689	0.8
654.37732	1.9
655.37921	1.9
656.38647	0.4
841.47662	1.4
867.44989	0.5
885.46277	1.8
886.46893	0.5
903.47467	100.0
904.47784	15.2
1065.50305	4.0
1066.51062	1.1
1083.60254	0.4
1129.45874	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	1123.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95904	58.1
96.96970	3.5
145.76773	0.7
150.98071	0.6
152.99585	64.0
171.00635	17.3
198.83440	0.6
227.03285	3.8
230.99527	0.6
245.04300	79.1
246.04695	1.0
253.21719	41.3
254.22040	2.0
267.12350	0.7
481.25711	100.0
482.25949	8.0
611.31555	0.7
641.27478	0.8
786.49860	0.9
895.42999	0.9
1123.48975	17.0
1124.49390	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	1125.7302
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	0.2
83.01389	0.5
85.02957	1.0
87.00877	0.9
89.02444	3.5
95.01379	0.2
97.02953	0.9
99.00894	0.4
101.02444	3.7
104.92366	0.1
109.02956	0.1
111.04523	0.1
113.02451	2.0
115.04025	0.1
119.03501	0.9
121.02997	0.1
125.02444	2.0
127.04015	0.1
131.03522	0.2
133.05098	0.1
139.04031	0.2
139.35216	0.1
143.03513	0.8
149.04633	0.1
161.04543	1.2
164.23698	0.1
173.98770	0.1
179.05614	1.0
190.32745	0.1
191.08656	0.1
216.83028	0.1
217.07184	0.1
221.06686	0.3
235.08224	2.6
253.09277	0.5
255.23289	11.5
256.23666	0.7
263.07880	0.2
266.68127	0.1
277.21606	0.1
287.07776	0.9
305.08716	1.2
323.09729	0.4
379.12537	0.2
390.25201	0.1
393.31592	0.2
397.13486	37.9
398.13916	1.9
415.14551	10.9
416.14859	0.5
423.32751	0.2
439.31720	0.1
471.34763	100.0
472.35101	10.0
584.39941	0.1
653.37518	11.1
654.37750	1.0
1073.90637	0.1
1125.72534	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	1121.5905
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	6.0
83.05036	1.1
85.02435	0.7
85.02953	12.4
87.00882	1.1
89.02444	7.1
95.01390	2.3
96.38649	0.4
97.02954	0.7
99.00891	2.9
101.02444	21.8
102.02765	0.5
106.58788	0.4
113.02455	13.5
119.03504	3.9
119.05019	0.5
125.02418	1.5
131.03491	1.3
133.02940	0.7
135.04520	1.0
135.05531	0.6
143.03490	2.9
149.04521	3.4
159.02971	1.4
160.01669	0.4
161.02429	1.0
161.04562	13.8
179.05626	3.5
203.05620	9.0
209.15453	2.0
221.06635	3.1
343.24405	0.5
359.27551	0.9
371.20755	8.8
372.21048	0.8
373.25287	0.5
375.27118	0.6
393.28290	0.6
413.21820	36.3
414.22083	2.4
423.29105	1.7
425.30701	3.8
439.32239	0.4
441.30011	0.8
457.33450	5.5
458.33621	0.6
459.31235	1.3
467.28183	0.5
501.32245	100.0
502.32602	10.7
543.33661	0.6
773.52020	0.5
906.71802	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	1111.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01905	0.2
81.03453	0.9
85.02960	1.0
93.03453	0.4
95.01376	0.7
97.02974	0.2
98.19952	0.2
101.02424	0.2
107.01409	0.3
107.05038	0.3
108.02175	57.8
109.02975	13.7
109.03540	0.2
110.03299	0.1
113.02454	0.3
117.03496	0.2
121.02949	0.9
122.03822	0.2
123.00894	0.7
123.04507	0.6
125.02430	0.6
133.02968	0.8
134.03757	0.4
135.00864	0.9
135.04494	0.7
147.04532	1.7
151.03992	1.0
152.01152	47.3
153.01935	14.5
153.49182	0.1
154.02275	0.3
157.06580	0.1
161.02449	0.9
163.04015	1.0
165.01912	0.7
167.08675	0.5
169.06519	0.2
177.01831	0.2
179.03488	0.3
181.05150	0.2
183.08148	1.3
193.05045	0.1
193.06648	0.4
195.02965	0.2
195.08138	0.4
197.06093	0.8
202.92381	0.1
210.06871	0.8
211.07629	3.0
212.07974	0.2
213.09227	0.3
221.06085	0.4
225.04033	0.3
225.09181	0.3
237.05582	0.3
238.06358	0.5
239.07129	7.4
240.07463	0.3
253.08730	0.5
269.04471	0.9
281.08261	0.5
297.06018	0.3
435.18829	0.1
445.11377	100.0
446.11719	8.1
446.18402	0.1
447.11847	0.5
646.49310	0.1
814.84052	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	1109.314
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05542	0.3
98.19867	0.6
101.42114	0.3
104.50867	0.2
107.05033	0.8
109.02959	1.0
121.02938	0.3
123.04526	11.3
130.51894	0.3
132.02208	1.7
133.02965	4.3
134.03738	4.0
135.04530	28.3
136.04861	0.7
137.02452	0.3
148.05304	6.5
149.05963	0.4
151.03979	1.4
160.01651	5.5
161.02441	9.4
163.07657	5.6
164.08051	0.4
175.04002	5.5
177.05563	0.3
179.03496	26.0
180.03830	0.4
188.49826	0.2
193.05046	2.2
197.04547	57.5
198.04886	1.6
211.06049	0.7
223.10706	0.3
239.05731	0.7
323.07700	0.7
329.13989	0.3
333.86914	0.3
337.09338	2.8
341.08960	0.4
359.09912	30.1
360.10486	1.5
517.13538	1.2
521.12927	0.8
535.14569	100.0
536.14899	8.4
542.06940	0.3
697.17456	11.8
698.17682	1.6
700.89001	0.3
778.65552	0.3
817.40039	0.3
888.84015	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	1105.7346
Annotation	Unknow
Peak:m/z	Relative Intensity
82.04521	0.1
89.03976	0.3
103.10202	0.1
108.19960	0.1
117.03469	18.5
118.03792	0.5
119.05026	6.9
121.02950	0.8
123.04524	0.3
133.02945	0.2
145.02956	48.5
146.03305	1.4
161.02431	0.1
162.03229	0.3
163.04013	4.6
210.57137	0.1
344.14407	0.1
401.41296	0.1
407.33417	0.2
451.31943	0.2
453.33817	0.9
469.33487	0.6
470.33768	0.2
471.34778	14.2
472.35159	1.4
513.32391	0.5
571.38202	0.6
573.35974	0.2
589.38898	2.9
590.39606	0.5
615.36884	2.7
616.37360	0.3
633.37939	100.0
634.38287	13.5
635.39032	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	1104.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05074	0.3
84.82814	0.2
85.02965	0.6
89.03992	0.4
93.03460	1.0
98.19878	0.5
106.06643	0.4
107.05043	0.6
108.02135	0.2
109.02957	4.5
115.05554	0.7
117.03468	41.6
118.03819	0.8
119.05026	19.1
120.05378	0.5
121.02961	1.3
122.06091	0.4
123.04565	0.3
132.02206	0.5
133.02957	7.1
134.03773	3.0
134.06108	1.8
135.04524	62.1
136.04002	0.6
136.04855	1.6
143.05031	8.3
145.02953	100.0
146.03285	2.8
147.04521	2.0
149.02438	2.8
150.03256	1.3
158.06078	0.5
159.04510	0.8
161.02444	19.7
161.06079	1.0
162.02904	0.8
163.04008	28.7
164.04346	0.9
173.02478	0.4
174.03189	0.6
179.03494	68.5
180.03867	2.5
187.03995	11.1
188.04259	0.3
188.07149	0.3
198.27176	0.3
202.02716	0.3
205.05084	0.6
211.07680	0.6
221.06006	0.3
226.10571	0.3
237.05559	0.6
238.06253	0.4
239.07135	0.5
240.10156	0.3
249.10474	0.3
250.06345	1.2
255.06796	0.3
266.05835	0.5
267.06619	15.2
268.07022	1.3
276.08661	0.7
277.09778	0.4
278.10303	0.4
279.11359	0.5
282.05786	0.3
283.06088	2.0
293.09067	0.5
295.10956	0.4
297.07755	0.7
307.10962	0.5
311.05606	20.0
312.05936	1.3
313.07135	0.3
336.10806	0.6
341.02521	0.4
341.06644	7.1
391.10321	0.5
404.10284	0.5
422.12357	0.6
445.15155	0.2
453.11658	0.4
464.13501	8.7
465.13919	0.9
482.14606	1.5
491.09857	4.2
502.19742	0.4
524.15594	36.2
525.15894	3.1
546.19122	0.6
547.19305	0.7
578.21527	0.9
579.21991	0.7
606.22888	0.4
666.24548	0.3
698.27014	0.5
847.27814	1.2
848.28430	1.9
862.30774	0.3
879.31085	0.6
880.30750	1.3
937.69391	0.3
1027.32642	1.8
1028.12524	0.3
1028.32739	7.8
1029.33008	0.9
1060.34509	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	1101.491
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	0.5
85.02966	0.9
93.03461	31.4
94.03775	0.8
95.01381	0.7
101.02454	0.3
107.05085	0.2
108.02177	29.8
109.02972	10.1
110.03308	0.3
113.02454	0.4
117.03453	0.2
119.05012	0.2
121.02953	0.5
122.03808	0.1
123.00881	0.5
123.04518	0.3
125.02457	0.3
133.02971	0.4
135.00887	0.3
135.04518	0.7
137.02448	45.1
138.02785	1.4
149.02391	0.2
151.00404	0.3
151.04001	0.4
152.01157	39.9
153.01945	16.7
153.74658	0.1
154.02278	0.5
161.02466	0.7
163.03989	0.9
165.01927	0.8
175.04033	0.2
177.02003	0.2
179.03499	0.5
195.02963	0.6
207.02972	0.2
225.03967	0.3
229.73099	0.1
293.26770	0.1
297.06149	8.1
298.06488	0.6
302.37067	0.1
315.07220	12.3
316.07632	0.8
349.18622	0.1
391.19647	0.2
435.09308	100.0
436.09625	8.9
437.09937	1.4
714.13599	0.2
1085.11877	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	1100.47
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95802	0.4
85.02966	0.4
89.02424	0.5
98.20005	0.6
109.02936	0.6
117.50959	0.4
121.02937	1.2
122.03745	1.0
123.04502	1.3
133.02950	3.0
134.03752	2.7
135.04500	2.4
137.02448	3.7
139.04030	1.3
146.03737	1.3
147.04526	0.5
150.03212	1.1
151.04007	3.0
159.04495	1.4
159.14615	0.4
160.05330	1.3
161.02426	2.1
161.06055	0.8
172.05339	1.7
173.06090	1.5
174.03203	0.8
174.06732	0.6
175.03979	1.8
176.04640	0.4
178.02747	4.7
179.03429	0.6
180.83549	0.4
186.06834	0.9
187.04007	2.2
189.05577	0.5
190.06369	2.1
200.04808	0.5
201.05595	1.6
202.06363	2.1
204.04182	0.4
206.15225	0.4
211.13412	3.3
249.18491	2.0
255.13985	0.5
271.13617	1.8
271.16406	0.3
283.13394	9.6
283.16626	0.5
284.13840	0.7
285.14868	0.6
287.16583	0.5
289.14417	0.6
297.14908	0.7
299.12903	1.1
299.16562	1.1
301.14444	6.1
302.14801	0.5
309.14960	2.5
311.12897	0.7
315.15979	7.5
316.16238	0.5
317.17563	0.9
325.14474	0.9
327.15952	5.7
333.17041	2.9
343.15460	0.8
345.17068	2.3
407.16959	0.6
537.23511	0.6
552.08777	0.4
563.24512	0.4
617.17084	0.4
643.25903	0.9
813.44800	1.6
814.44659	0.5
839.42023	0.7
857.43500	1.9
858.43701	0.8
875.44354	100.0
876.44635	16.5
938.47638	0.7
1037.47437	4.1
1038.47229	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	1100.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
105.03484	0.6
107.05024	0.5
109.02950	2.7
123.04518	5.9
132.02138	1.8
133.02962	26.5
134.03716	1.5
134.14165	0.4
135.04532	22.2
136.04828	0.7
145.03047	0.5
149.06062	1.3
149.07249	0.3
159.04532	0.5
161.02449	100.0
162.02783	3.6
167.03511	0.5
175.03986	0.7
179.03500	12.9
180.03864	0.5
187.04030	1.4
197.04549	16.2
198.04846	0.8
231.02917	0.5
255.06659	2.2
267.66431	0.4
271.09869	0.6
281.04459	0.7
297.07574	1.0
323.05679	0.4
341.06696	4.2
359.07727	50.3
360.08176	3.5
466.07956	0.4
495.12833	1.5
521.10614	1.8
539.12006	3.5
540.11847	0.6
585.50952	0.4
655.40393	0.4
719.16174	27.2
720.16479	3.4
996.09009	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	1097.403
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05070	4.2
92.05114	0.7
94.06693	1.2
104.05126	1.8
106.06677	2.5
107.03762	3.9
112.70485	0.6
120.04599	1.3
120.08274	1.7
121.02946	0.7
121.05363	1.7
122.06122	22.9
132.04579	1.6
133.02966	4.3
134.03822	1.1
134.06120	7.4
135.04512	4.5
137.02496	1.2
139.02844	1.7
148.04135	1.3
148.05315	0.9
152.07166	31.0
160.04102	1.4
160.06406	3.4
161.02464	11.2
161.04829	1.1
162.05742	0.8
174.05583	3.5
178.02811	2.1
179.03494	4.1
190.05067	2.9
209.11884	2.4
213.10342	20.9
214.10710	0.8
221.07094	0.7
223.08810	1.4
223.13483	0.9
224.09521	0.8
225.10379	1.8
226.11130	1.6
237.10387	0.9
239.11890	15.1
240.12270	0.6
241.13454	11.5
245.12909	6.9
247.14958	0.6
249.06816	1.5
249.10339	0.6
251.12000	2.5
265.09842	2.3
267.11465	1.1
277.10010	1.2
285.12442	43.8
286.12708	1.9
293.10196	1.3
293.13062	6.8
294.13171	0.7
295.10852	3.9
313.11816	3.2
316.14636	0.9
323.10434	5.9
324.10791	0.8
325.12024	2.4
326.12827	0.7
328.10904	2.5
329.11667	1.1
330.12366	0.7
332.17746	1.3
339.09879	1.1
339.13632	0.8
340.10547	1.0
340.14493	1.1
342.12405	3.6
343.13260	3.6
344.14026	1.5
355.13120	3.5
356.13855	1.5
356.17776	1.8
357.14896	2.6
358.15573	15.4
359.16205	1.8
370.11884	2.3
370.15872	0.9
372.17316	1.0
382.15704	1.2
383.12848	0.9
384.13492	4.0
398.15024	1.1
400.16608	16.7
401.16803	1.2
412.16663	5.0
455.13455	2.1
465.45148	0.7
497.25546	2.0
509.22263	1.0
521.26190	1.1
523.23438	4.9
524.24261	1.8
537.24982	1.2
565.24548	41.5
566.24841	4.6
568.23169	1.2
581.23792	1.2
597.27112	1.4
607.26440	0.8
609.23535	100.0
610.23840	11.5
611.24536	0.8
641.26147	87.7
642.26465	13.1
695.32831	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	1095.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03943	0.1
89.03973	0.4
91.05563	0.3
93.03452	0.7
95.01371	0.2
95.05038	0.2
98.20734	0.2
99.60438	0.1
105.03467	0.4
107.05021	0.8
108.02182	0.2
109.02952	3.2
117.03460	0.5
121.02953	1.0
123.04552	0.2
132.02180	0.9
133.01892	0.2
133.02960	9.9
134.03763	3.3
135.04527	88.7
136.04854	2.5
138.34657	0.1
145.02948	1.2
149.02443	4.5
150.03218	1.8
159.04514	0.3
161.02444	29.1
162.02831	0.9
163.04018	0.1
173.02423	0.5
174.03241	0.8
177.01926	3.3
178.02309	0.5
179.03496	100.0
180.03839	3.1
189.01901	0.2
191.73238	0.1
196.05336	0.2
197.06129	0.3
201.01974	0.5
202.02757	0.2
209.06075	0.4
211.07668	0.8
221.06079	0.5
222.06786	0.2
237.05579	0.5
238.06413	0.3
239.07137	0.8
248.04849	0.2
249.05666	0.8
250.06331	1.3
253.05153	0.2
254.05780	0.2
255.06548	0.5
265.05078	0.6
266.05844	0.7
267.06613	20.8
268.06955	1.4
283.06116	2.8
293.04678	0.2
297.07727	0.8
311.05612	35.2
312.06027	2.4
313.07199	0.9
341.06656	13.6
342.06851	0.7
359.07803	0.1
379.54767	0.1
389.24673	0.2
405.28189	0.8
417.27911	0.3
437.30533	0.8
447.10745	0.5
455.31750	0.5
469.29276	0.9
489.07928	0.2
491.09827	24.1
492.10172	2.5
499.30692	1.4
517.31683	0.5
559.25409	0.2
668.02667	0.2
1059.08960	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	109.0295
Annotation	Resorcinol
Peak:m/z	Relative Intensity
55.01872	0.5
59.24438	0.2
65.03967	3.2
66.03480	0.9
67.01891	100.0
68.02224	4.4
68.99804	0.4
69.80317	1.4
75.12695	0.3
75.67744	0.2
79.03026	0.3
81.03459	8.2
82.02979	0.6
82.03799	0.4
86.48354	0.3
90.90473	0.2
101.82825	0.3
108.02149	1.4
109.02951	31.2
109.03992	1.3
110.02480	1.1
110.03295	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	1087.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05051	2.3
93.03454	1.4
94.06645	0.4
98.64686	0.4
101.18284	0.4
104.05069	1.4
106.06630	5.7
108.04545	0.7
109.02961	1.8
113.02497	0.6
117.03477	0.7
119.05039	0.4
120.08183	0.8
121.02934	0.5
121.05336	0.5
122.05292	0.6
122.06125	7.5
123.04521	2.5
130.06628	1.1
132.02208	0.7
132.04539	0.6
132.08200	1.1
133.02969	6.3
134.03748	1.3
134.06125	22.3
135.04535	10.0
136.07704	0.6
137.02486	0.9
144.46562	0.5
145.02922	1.1
146.06071	0.8
148.04013	1.0
148.05249	0.8
148.07565	0.5
150.03195	0.6
152.07167	2.4
153.01953	1.1
158.06120	0.9
159.04504	1.0
160.04047	1.4
160.06418	1.9
161.02449	19.1
161.04655	1.1
162.02794	1.1
162.05609	0.4
174.05580	2.9
175.04034	0.6
179.03511	4.8
186.05563	0.4
190.05057	1.1
191.03351	0.4
194.08195	0.7
196.30067	0.4
197.04550	3.7
211.08810	0.5
213.10336	10.3
222.07687	2.4
223.08710	1.0
225.10300	1.3
226.11150	0.6
227.11897	2.2
233.10744	0.5
236.09447	0.8
237.10294	1.5
239.11882	11.5
240.12062	0.6
241.13448	5.7
242.08151	1.1
247.08731	0.6
248.09467	0.5
249.10312	1.7
249.14072	0.4
250.11060	0.5
250.60843	0.4
251.11845	2.8
252.12521	0.4
253.13556	0.7
261.10400	0.5
262.07480	0.8
263.08295	1.0
263.11780	1.3
264.06522	0.6
264.09222	0.6
265.09848	1.4
267.11404	1.1
275.08469	0.5
275.11899	1.1
276.09238	0.8
277.06998	0.9
277.09833	5.5
277.13013	0.8
278.10672	1.3
279.08395	0.5
279.11301	2.0
285.12448	22.8
286.12793	1.1
287.14166	0.5
289.09778	0.6
290.10443	0.9
291.07892	1.1
291.11386	2.0
292.08688	0.5
293.09406	1.2
293.12915	6.3
295.10892	3.1
303.07813	1.0
303.11349	1.1
305.09305	5.2
305.12964	1.3
306.10217	0.7
307.11035	2.2
316.14529	1.0
317.12927	0.5
319.10855	4.3
320.11481	0.5
321.08954	0.8
321.12347	0.6
323.10544	0.4
327.10019	0.7
328.10852	1.5
330.12451	0.6
331.10867	1.3
332.17838	0.8
337.11957	3.5
340.10953	0.6
340.14682	1.1
341.15350	0.5
342.12439	1.2
343.13361	2.1
344.14053	1.2
345.12360	0.7
349.11957	0.6
355.13046	1.6
356.13980	2.2
356.17392	0.7
357.14819	1.5
358.15628	10.5
358.19925	0.7
359.07730	5.0
359.16336	0.7
365.11475	1.7
367.12900	1.3
368.13995	0.8
369.14655	0.8
370.11868	1.4
370.15643	1.3
371.16748	0.6
382.15631	0.9
383.13559	0.5
384.13623	2.2
384.17734	0.6
385.13998	0.7
386.18845	0.5
396.17407	0.5
397.14133	1.2
398.14737	0.7
399.16013	0.8
400.16699	9.0
401.16785	0.8
410.15088	0.6
411.15073	0.6
412.16751	3.6
422.18982	0.6
424.16504	0.7
426.18344	0.5
435.09146	0.6
438.18256	1.2
440.19867	1.9
450.15396	0.4
451.15482	0.4
455.12234	0.4
456.19373	0.7
461.15759	0.6
466.17838	3.7
479.24509	1.8
483.17725	1.7
484.18512	1.7
490.19995	1.5
491.20837	3.5
492.21335	0.8
503.24564	0.6
505.22388	3.5
506.22733	1.2
510.17133	0.8
519.24060	0.7
526.20050	2.1
528.17914	1.2
532.20880	0.6
539.27124	1.0
544.20728	1.5
545.21307	0.6
547.23615	4.0
548.23853	0.7
550.22913	0.5
560.20612	0.5
565.24463	3.8
566.24854	0.7
570.18689	5.3
571.19354	0.5
588.19836	2.1
591.22461	2.9
592.23352	0.6
602.21436	14.3
603.21924	1.7
607.25586	14.7
608.25714	1.8
609.23651	1.1
610.23999	1.1
613.26801	0.7
620.22485	15.5
621.22455	2.3
623.24786	1.9
639.27960	2.0
641.26544	2.4
645.20770	1.2
651.24591	40.2
652.24982	4.6
665.25006	0.5
683.27191	100.0
684.27557	14.1
696.25409	0.7
724.24854	1.2
758.25104	0.8
767.22437	0.5
768.24200	9.4
769.24146	1.9
787.28058	0.7
800.26746	16.2
801.27826	2.2
812.26514	0.9
813.27332	2.1
819.32190	3.1
831.27856	0.7
844.28906	0.5
845.29932	3.2
846.31372	0.7
847.28857	0.7
848.28754	3.5
849.28815	5.8
863.31219	7.3
864.31696	1.2
881.32111	1.3
882.35516	0.5
1011.31726	2.4
1043.35254	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	1087.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
78.54961	1.6
96.96024	1.7
99.37013	1.6
106.06623	6.7
106.94184	1.4
107.03755	2.3
109.02961	8.6
120.08183	11.2
122.06123	22.6
123.04545	3.9
132.02222	1.6
132.04517	1.9
133.02960	21.1
134.03770	1.9
134.06125	37.5
135.04521	13.8
136.04863	2.5
140.39503	1.5
145.02930	3.0
149.02432	1.5
150.03188	4.1
151.04010	3.2
152.07144	3.2
161.02441	51.0
161.04532	2.3
162.02814	3.6
163.03983	2.1
174.05681	2.1
175.04063	1.8
179.03513	10.3
180.03934	1.4
189.01891	3.5
194.08253	2.3
197.04590	6.1
213.10353	4.0
223.06277	1.6
223.08731	2.5
225.10289	2.6
226.08687	4.2
227.11864	2.1
236.09592	1.9
237.10339	4.8
238.11000	1.9
239.11877	6.6
241.13408	2.0
249.10266	6.6
251.11935	7.2
262.07556	2.1
263.08209	3.5
263.11884	3.3
264.09137	7.2
265.09781	3.6
266.08148	2.6
268.08551	1.8
275.08173	1.8
277.09735	8.4
278.10455	4.3
279.11353	24.3
285.12457	10.3
291.08267	2.2
291.11267	11.3
292.12091	1.9
293.13144	2.0
295.10812	1.9
305.09384	3.2
305.12842	2.7
306.09924	2.7
307.10834	2.5
313.07153	4.5
323.10287	3.5
324.10992	2.6
337.11984	2.0
356.13828	2.6
358.15680	3.1
359.07758	4.1
360.17288	1.9
370.15549	4.2
384.13074	1.9
384.17303	9.7
385.17905	3.4
386.18716	4.5
389.11996	1.5
396.12805	2.9
398.14966	6.3
399.15222	1.7
411.16333	2.0
412.16534	4.6
425.16504	1.6
426.18317	10.6
427.18997	1.8
430.17712	4.8
452.16165	2.3
453.16910	2.7
470.16980	2.7
471.17822	5.1
486.20349	2.8
488.18518	2.3
502.20242	1.8
503.20718	1.7
519.55560	1.8
530.19373	11.2
531.19836	5.2
549.25360	2.0
562.21887	32.9
563.22443	4.7
593.23639	5.0
609.27484	14.7
611.24554	3.0
613.26300	1.9
623.24731	2.8
643.27808	2.0
651.25031	2.2
653.26178	94.4
654.26208	14.2
675.24713	2.3
682.25708	2.0
683.26715	2.9
685.28760	100.0
686.29199	16.0
703.23755	3.3
735.26782	30.1
736.26831	5.0
743.27228	15.8
771.28082	1.9
775.29846	10.3
776.31104	2.5
784.27728	2.5
785.28082	5.5
787.29773	2.8
813.27655	14.6
814.28510	2.2
817.29431	2.1
843.29443	1.9
844.28821	5.1
845.29877	13.8
846.30518	2.3
881.31689	3.1
893.33295	2.4
1011.33728	4.7
1012.32422	1.8
1043.35950	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	1087.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
76.97022	0.3
80.05048	1.1
80.79581	0.4
93.03439	1.0
94.06610	0.9
101.02483	0.4
104.05061	0.6
106.06625	5.8
107.03821	0.6
107.05016	0.5
108.04593	0.8
109.02962	1.6
119.04996	0.4
122.06130	3.4
123.04533	2.5
132.04520	1.0
132.08182	1.9
133.02974	2.3
134.03799	2.1
134.06123	21.2
134.09705	0.4
135.04530	21.9
136.04854	0.9
137.02440	1.1
145.02798	0.3
146.06107	0.8
148.04012	0.4
151.04028	0.7
152.07127	2.3
158.06113	1.0
160.04025	0.9
160.06450	0.8
160.07684	0.8
161.02444	7.3
161.04672	0.4
171.06818	0.4
172.07578	0.4
174.05554	1.5
176.07106	0.5
179.03511	4.3
180.03773	0.6
184.07658	0.6
186.05635	0.4
186.09222	0.9
188.07303	0.4
194.08150	0.8
197.04544	2.9
209.10864	0.4
213.10306	2.7
218.01285	0.3
218.64545	0.3
222.07706	1.4
223.08719	1.0
223.12349	0.5
224.62120	0.4
225.10266	1.6
226.11069	0.5
226.78474	0.3
227.11961	1.6
230.07764	0.4
233.10655	0.4
235.08835	0.5
235.12383	0.4
236.09528	0.5
237.10356	1.0
239.11884	2.7
241.13423	1.0
242.08183	1.4
247.08647	0.6
248.09564	0.5
249.10320	2.5
249.13988	0.8
250.11060	1.1
251.11913	3.7
253.13466	0.4
261.10284	1.4
262.07449	1.0
262.11066	0.8
263.08218	1.6
263.11780	1.6
265.09821	0.9
265.13416	0.9
267.11264	0.8
272.88889	0.4
273.10242	0.6
275.08286	1.3
275.11884	2.3
276.09094	1.6
276.12524	0.3
277.09802	5.9
277.13406	1.9
278.10400	1.2
279.11322	1.6
285.12421	6.1
287.11942	1.2
288.09021	0.5
289.06683	0.4
289.09784	1.9
289.13293	0.5
290.10596	2.6
291.07944	0.6
291.11313	3.7
292.08514	0.6
292.11768	0.7
293.09344	1.1
293.12924	4.2
294.09967	0.4
294.13141	0.4
295.10892	1.5
301.09744	0.6
301.13388	1.1
302.10513	0.5
303.07684	1.1
303.11374	3.0
304.08746	0.8
304.12134	0.7
305.09296	2.9
305.12921	4.1
306.09869	0.4
307.10904	1.9
309.12488	0.4
316.08481	0.6
317.12927	1.2
318.10092	0.8
319.10892	6.8
319.14386	0.6
320.11313	0.8
321.08740	0.9
321.12338	0.6
323.10684	0.4
328.10855	0.4
331.10901	2.1
335.10422	0.7
337.11960	4.3
345.08661	0.5
345.12494	1.2
349.11914	3.1
354.15955	0.5
356.13773	0.5
356.17654	0.4
358.15619	1.9
359.07678	1.2
359.15927	0.4
363.09818	1.4
365.11514	0.6
368.13824	0.8
370.19345	0.6
381.10825	2.7
381.15201	0.5
382.15768	0.6
384.13297	0.5
389.11307	0.5
393.10739	1.7
396.17227	0.6
397.14001	0.5
398.18814	1.1
400.16620	2.1
408.13263	0.4
410.14960	1.1
412.16345	1.2
412.20706	1.0
422.18640	1.4
424.16415	1.4
425.17007	0.4
426.18372	0.5
438.18399	2.6
440.19839	1.4
442.17569	0.4
448.16479	0.8
450.14639	0.5
451.15350	0.4
456.19662	1.8
466.11343	0.5
466.17682	5.0
468.15277	0.9
482.17331	3.3
484.18802	4.1
485.19193	0.5
500.18045	2.5
510.16681	7.6
511.16806	1.1
526.19617	2.5
528.17694	6.7
529.18036	1.0
542.19366	1.3
544.20660	1.5
545.21820	0.7
546.18524	1.8
547.23273	1.2
560.20679	1.9
565.24786	1.0
570.18756	6.0
571.19257	0.5
588.19818	19.5
589.19934	2.4
591.22467	1.0
602.21405	7.8
603.22125	0.8
607.25677	5.8
608.25708	0.8
620.22559	5.2
621.22687	0.6
641.26660	0.5
651.24597	25.2
652.24878	3.4
683.27179	18.0
684.27753	2.6
708.22327	1.1
722.23456	0.9
724.24780	1.2
726.23151	1.6
727.23419	0.5
758.25781	1.2
768.24078	100.0
769.24402	14.8
787.29095	0.7
800.26733	15.9
801.27094	2.3
813.27710	2.6
814.27948	0.6
819.32050	0.6
831.28491	1.7
845.30194	3.3
846.30450	0.5
849.28662	0.7
863.31616	3.4
881.32318	0.5
975.07849	0.4
1011.33160	3.2
1012.33130	1.0
1043.35461	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	1087.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05164	2.5
92.05079	0.5
92.52416	0.6
94.06719	1.0
98.19872	0.9
104.05170	1.3
106.06622	7.0
107.05096	0.5
108.04688	1.4
109.03073	1.6
119.05139	0.5
120.04652	0.7
120.08288	1.0
121.05421	1.3
122.06131	10.6
123.04659	2.4
130.06749	0.8
132.02208	0.6
132.04721	1.7
132.08316	1.4
133.02962	6.1
134.03940	2.0
134.05176	1.3
134.06123	31.2
135.04526	15.9
135.06560	0.8
136.07742	0.6
145.03120	1.8
146.06271	1.8
148.04172	1.1
148.07695	0.9
152.07140	3.5
152.80640	0.6
158.06200	1.2
160.04211	1.8
160.06491	3.1
160.07765	0.9
161.02438	15.0
161.04877	0.7
162.02901	0.7
162.05724	0.8
174.05655	4.4
176.07436	0.7
178.08844	0.7
179.03528	5.0
179.04857	0.5
186.05678	1.0
186.09332	1.0
190.05264	1.9
192.67874	0.6
194.08417	1.5
197.04503	3.4
197.07269	0.8
198.12973	0.8
200.07295	1.0
211.08875	0.7
213.10336	18.8
214.10771	0.6
222.07614	3.0
223.08952	1.9
223.12514	0.9
225.10468	2.2
226.11290	2.1
227.11913	3.7
235.08907	0.8
236.09631	1.2
237.10373	1.0
239.11900	13.1
240.12381	1.1
241.13461	8.1
242.08211	3.3
242.13953	0.6
247.08858	0.7
249.10301	3.7
250.07545	0.5
250.11293	0.6
251.11839	4.3
261.10480	0.7
262.07681	1.2
263.08447	2.4
263.11975	1.3
265.09967	1.9
265.13660	0.7
267.11584	1.9
275.08420	1.0
275.12173	1.6
276.09265	0.7
277.09845	9.2
277.13199	0.9
278.10748	2.3
279.11548	2.3
285.12439	39.5
286.12939	1.5
289.09985	1.9
289.13611	0.6
290.10837	1.9
291.08096	1.2
291.11588	4.0
292.08743	1.4
293.09711	1.1
293.12949	9.3
294.13370	0.7
295.10934	4.7
301.09998	1.1
301.13220	1.0
303.08173	0.7
303.11588	1.3
304.08725	0.9
305.09537	7.6
305.13080	2.9
306.09964	0.6
307.10867	3.7
308.11655	0.9
311.05750	0.6
316.14722	1.3
317.12839	0.8
318.10352	1.2
319.10934	8.3
319.14313	0.6
320.11499	0.6
321.09119	1.0
321.12628	1.0
323.10699	0.8
328.11148	1.5
330.16116	0.7
331.10974	2.1
337.11917	5.8
340.14810	1.6
341.11752	0.9
342.12570	1.5
343.13327	1.9
344.14005	1.1
345.12482	1.4
349.11963	1.1
353.15442	0.7
354.12634	1.0
355.13260	1.9
356.14050	2.0
356.18002	1.1
357.14951	2.6
358.15616	11.7
359.07895	2.8
359.16095	0.9
363.09866	1.0
365.11600	2.0
367.13181	1.1
368.14081	1.3
370.02148	0.7
370.12021	1.8
370.15872	1.7
371.16452	0.8
372.17285	0.8
381.11090	2.1
382.11462	0.9
382.15845	1.8
384.13232	3.9
384.17874	1.1
385.14520	1.6
393.10828	0.8
396.13724	1.0
397.13928	3.2
398.15164	1.6
398.19501	0.8
399.15707	1.0
400.16724	11.7
401.17059	0.7
410.14929	0.8
412.16586	4.7
422.18832	1.5
424.17059	1.5
426.18564	1.1
438.18591	2.7
440.20285	1.5
444.16351	0.7
448.16678	0.8
456.19675	0.8
466.17667	5.0
467.18259	0.7
477.23373	0.8
479.24969	1.8
482.17154	1.5
484.18814	3.2
490.20520	1.5
491.21118	1.8
500.18185	1.1
505.22379	3.6
506.23029	0.6
510.16748	4.9
518.19452	1.0
519.23938	1.2
526.19910	1.9
528.17828	3.5
539.26880	0.8
544.21155	1.8
546.18774	0.7
547.23584	6.0
560.21002	1.0
565.24652	3.1
570.18701	10.5
571.18799	1.2
573.21741	0.7
588.19806	11.5
589.20380	0.7
591.22339	3.6
602.21460	14.8
603.21698	1.5
607.25616	24.5
608.25970	3.8
609.23761	1.1
610.24445	1.0
620.22461	9.8
621.22388	0.8
623.25000	2.3
641.26270	3.6
642.26788	0.7
651.24597	83.3
652.25061	9.2
683.27191	100.0
684.27576	14.0
724.25494	2.9
726.22662	1.5
768.24109	62.5
769.24591	9.2
786.27612	0.6
787.29016	1.6
800.26874	10.3
801.27094	1.0
813.27209	3.8
814.27960	0.8
831.28528	2.7
845.30420	5.2
846.31702	1.2
863.31189	2.2
881.32593	1.3
1011.33331	3.4
1012.34467	0.9
1043.34717	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	1087.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05061	1.5
93.03456	1.0
94.06612	0.7
101.02441	0.5
104.05067	0.8
106.06637	4.6
107.03693	0.5
108.04568	0.7
109.02935	1.3
113.02475	0.5
119.04975	0.6
120.04559	0.6
120.08184	1.1
121.05345	0.7
122.06117	6.6
123.04504	1.8
130.06596	0.8
132.04539	1.2
132.08144	0.6
133.02951	5.5
134.03746	1.0
134.06120	21.0
135.04536	10.6
135.06427	1.4
137.02437	0.9
145.02922	2.0
146.06126	1.0
148.04008	0.8
148.07681	0.7
149.02382	0.4
152.07205	2.8
153.01930	1.0
158.06125	0.5
159.04509	0.6
160.04010	1.4
160.06374	2.0
160.07607	0.6
161.02444	17.6
161.04572	0.7
162.02864	0.6
163.03926	0.5
174.05650	2.7
179.03455	5.8
186.05602	0.9
186.09270	0.7
190.05101	0.8
194.08107	1.1
197.04526	4.0
213.10339	9.4
221.10719	0.6
222.07623	2.8
223.08679	1.3
225.10303	1.3
226.11095	1.4
227.11845	1.7
233.07173	0.7
235.08691	0.7
236.09479	1.1
237.10287	1.0
239.11867	9.3
240.12326	0.6
241.13419	4.9
242.08107	1.3
249.10321	1.9
251.08249	0.5
251.11861	3.7
253.13307	0.7
254.11761	0.5
262.07407	0.9
262.10928	0.6
263.08279	1.2
263.11926	1.2
264.06421	0.6
265.09793	1.1
265.13446	0.6
267.06677	0.5
267.11328	1.6
273.10172	0.5
275.11887	1.3
276.09155	0.6
277.09845	5.1
277.13046	1.0
278.10583	1.2
279.11411	1.3
285.12454	21.6
286.12756	1.1
289.09763	0.8
290.10651	0.8
291.08334	0.8
291.11377	1.8
292.08554	0.8
292.11990	0.6
293.09378	1.1
293.12924	5.8
295.10785	4.1
303.07822	0.7
303.11353	1.1
305.09314	4.1
305.13034	1.1
306.10022	0.6
307.10931	2.8
309.12247	0.7
316.14780	0.5
317.09369	0.5
318.10010	0.7
319.10950	4.6
319.14362	0.9
321.08926	0.8
321.12396	1.0
328.10864	2.1
331.10803	1.1
337.11987	2.5
340.14578	0.9
342.12457	1.3
343.13254	1.9
344.13837	1.2
344.17676	0.7
345.12341	0.7
353.12100	0.6
355.13309	0.9
356.14069	1.7
356.17908	0.6
357.14966	2.2
358.15628	9.4
359.07605	4.4
359.15887	0.8
365.11484	1.1
366.12076	0.4
367.13162	0.7
368.10208	0.6
368.14246	0.6
369.14706	1.2
370.11832	1.1
370.15842	0.9
372.17068	0.6
382.15762	0.6
383.13901	0.8
384.13181	2.8
384.17697	0.9
385.14209	0.6
397.13986	1.5
398.19092	0.7
399.15625	0.7
400.16696	9.1
401.16843	0.5
411.14096	0.4
412.16730	2.2
422.18881	0.7
424.16422	0.6
426.17914	0.5
435.09772	0.6
438.18240	1.4
439.23196	0.6
466.17444	2.9
469.29794	0.5
475.17630	1.0
476.18213	0.7
479.24625	1.1
483.17395	1.4
484.18607	2.0
489.19064	0.7
490.20258	1.0
491.20850	3.5
499.30444	0.9
505.22482	3.6
506.22903	1.2
510.16626	1.1
519.23779	1.1
526.19836	1.4
528.17999	0.7
532.21069	0.6
539.27106	0.5
544.20734	1.3
547.23364	3.3
548.23419	0.5
563.22870	0.5
565.24384	4.4
566.25098	0.8
570.18842	3.9
571.18890	0.5
588.19501	2.6
591.22253	2.7
592.21533	0.6
602.21411	12.3
603.21814	1.2
607.25647	14.0
608.25726	1.2
609.23816	0.7
610.24329	1.8
611.24084	0.7
620.22522	14.6
621.22577	2.1
623.24994	2.0
633.23907	0.6
639.28198	1.5
641.25830	2.6
645.20947	0.8
651.24597	38.2
652.24817	4.3
683.27197	100.0
684.27448	13.9
724.24542	1.9
725.24390	0.8
727.26959	0.5
758.25745	1.1
767.23132	0.7
768.24127	10.6
769.25006	0.9
800.26715	17.3
801.27063	2.4
812.26221	0.6
813.27490	1.8
818.31500	0.7
819.32501	2.4
820.32208	0.7
831.28137	0.7
845.29846	2.9
846.31201	0.9
847.28522	1.2
848.28754	4.0
849.28906	9.3
850.28973	0.8
863.31549	7.9
864.31378	1.4
880.30096	0.5
881.32239	1.1
927.01605	0.5
1001.35553	0.7
1011.32996	2.5
1043.35596	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	1087.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05064	0.8
89.03964	0.3
104.05109	0.3
106.06625	4.9
107.05032	0.4
108.04552	0.6
109.02956	0.7
118.76156	0.2
122.06129	2.2
123.04548	1.7
130.06610	0.3
132.04546	0.8
132.08177	0.9
133.02975	1.1
134.03836	1.8
134.06128	15.9
134.09795	0.3
135.04527	14.8
135.06477	0.7
136.04869	0.5
146.06117	0.6
148.07591	0.3
151.03934	0.3
152.07170	1.5
156.08188	0.3
158.06088	0.9
160.04042	0.6
160.07690	0.5
161.02473	2.5
161.04668	0.3
162.05612	0.4
170.06026	0.2
173.02429	0.3
174.05569	0.6
178.08859	0.3
179.03502	3.0
184.07658	0.3
186.05615	0.3
186.09229	0.5
190.05016	0.3
194.08211	0.8
197.04544	1.9
209.10594	0.2
210.09254	0.3
212.07115	0.2
213.10385	1.0
219.09322	0.2
222.07791	1.4
223.08759	0.5
223.12383	0.6
225.10320	0.8
227.11855	0.6
233.10843	0.5
235.08754	0.5
235.12386	0.3
236.09612	0.4
237.10316	0.6
239.11890	1.2
241.13441	0.8
242.08221	1.0
247.12424	0.4
248.09537	0.4
249.10378	2.3
249.14005	0.6
250.11057	0.7
251.11893	3.2
255.15002	0.2
260.09628	0.3
261.10257	0.9
262.07388	0.6
262.11234	0.2
263.08228	0.8
263.11755	1.2
264.09094	0.3
265.09845	0.6
265.13370	0.7
273.10355	0.5
274.11252	0.3
275.08316	0.7
275.11923	1.7
276.08972	0.9
276.11880	0.2
277.09811	3.8
277.13440	1.8
278.10510	0.6
279.11319	1.0
281.13098	0.3
285.12494	2.6
287.11856	1.0
288.09094	0.6
289.09879	1.7
290.10596	2.4
291.07904	0.7
291.11353	3.2
292.08563	0.3
292.11993	0.4
293.09326	1.0
293.12958	2.9
294.13000	0.3
295.10974	1.0
301.09851	0.4
301.13309	0.5
302.10376	0.4
303.07697	1.0
303.11353	1.8
304.08533	0.3
304.11838	0.2
305.09302	1.2
305.12939	2.6
307.10849	0.9
309.12509	0.6
315.07819	0.3
316.08408	0.6
317.09402	0.3
317.12894	0.6
319.10880	5.3
319.14426	0.5
320.11133	0.6
321.08859	0.5
321.12381	0.7
329.09387	0.5
331.10867	2.1
335.10419	1.3
337.11829	2.5
338.12283	0.3
342.19659	0.2
345.12363	0.8
347.10330	0.5
349.11874	2.6
358.15588	0.6
359.07794	0.5
363.09839	1.3
363.13596	0.3
365.11490	0.6
367.13174	0.2
368.13846	0.4
368.17816	0.3
370.19345	0.3
375.09921	0.5
381.10846	2.8
382.11356	0.3
382.15744	0.5
383.16803	0.3
389.11334	0.4
393.10809	2.0
396.17160	0.7
398.18689	0.6
400.16599	0.8
407.72049	0.2
410.14648	0.3
412.16241	0.5
412.20953	0.4
413.16376	0.3
414.18948	0.2
422.18735	1.2
424.16675	0.9
438.18387	2.2
439.18701	0.3
440.20395	1.2
448.16656	0.4
450.14719	0.3
454.17679	0.4
456.19815	1.1
466.17810	3.9
467.17731	0.5
468.15512	0.5
482.17297	3.8
483.17477	0.4
484.18890	3.1
485.19193	0.6
489.34711	0.3
500.18347	2.4
502.20013	0.5
506.23041	0.2
510.16696	6.4
511.16846	0.8
516.21735	0.3
518.18890	0.6
526.19879	1.5
528.17786	6.3
529.18109	0.7
542.19519	0.6
544.20813	1.1
546.18933	1.7
560.20654	1.5
570.18890	3.8
571.18951	0.3
576.23077	0.3
588.19873	17.7
589.20221	2.3
602.21466	5.0
603.21808	0.7
607.25824	1.8
620.22522	2.7
621.22845	0.5
651.24554	6.7
652.24524	1.1
678.26111	0.3
683.27136	4.0
684.27081	0.6
708.21875	0.8
722.23523	0.4
724.25629	1.1
726.22833	1.2
737.35962	0.3
740.24939	0.3
758.25891	0.8
768.24109	100.0
769.24426	16.0
787.29102	0.3
800.26782	14.1
801.27081	1.9
812.27185	0.3
813.27917	1.2
814.77155	0.3
831.28949	0.7
845.29230	1.1
863.31317	0.7
920.28711	0.3
1011.33392	2.6
1012.33575	0.4
1043.36047	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	1085.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02960	3.2
95.01434	1.2
101.02431	1.6
101.36203	0.8
106.06619	5.1
107.05048	1.2
109.02961	5.2
113.02454	2.5
120.08195	2.6
121.02962	1.0
122.06113	4.7
123.04556	1.5
132.02211	1.6
133.02971	11.2
134.03728	2.9
134.06116	22.0
135.04529	90.8
136.04878	2.4
145.02959	2.5
149.02451	3.9
150.03230	2.1
152.07182	1.5
161.02444	29.1
162.02824	1.3
171.13910	1.2
173.02371	1.0
174.03151	1.4
179.03496	100.0
180.03853	3.1
197.04469	0.9
203.03302	1.0
207.74014	1.0
220.07726	1.0
224.07126	1.0
232.07768	1.1
235.06352	1.3
236.07187	4.2
247.06413	1.0
248.07126	4.0
249.07965	1.5
249.10275	1.0
250.05080	1.8
250.74960	0.9
251.05939	1.4
252.06676	2.4
262.08820	2.3
263.05804	2.6
264.06641	13.2
265.07019	1.1
267.06631	20.4
268.06952	1.4
276.06641	10.0
276.09479	1.4
277.07263	3.9
277.09961	1.9
278.08069	2.6
280.06076	3.3
283.06097	2.5
285.12445	1.1
290.04910	1.3
290.08167	4.2
291.05524	0.9
291.08554	1.1
291.11557	1.3
292.06192	2.4
292.09763	2.4
293.07187	1.1
302.08060	1.0
304.06339	1.5
304.09906	1.9
306.11172	0.9
308.05612	2.4
309.06317	1.0
310.07239	1.4
311.01971	1.5
311.05588	28.5
312.05988	1.9
320.05588	1.6
322.07031	1.6
334.06897	1.1
341.06683	10.3
341.12970	1.2
345.29999	3.5
348.08777	1.7
353.09381	1.8
355.14719	1.3
367.10657	1.5
368.11786	1.6
369.12311	2.1
370.13284	1.4
381.12494	2.1
383.14206	6.2
395.10391	1.7
397.11844	3.2
399.13501	2.9
400.16837	1.2
409.12143	1.9
411.13486	8.1
412.14050	1.5
425.11362	2.5
427.12854	4.5
429.14322	1.9
437.11206	1.8
439.12488	1.0
442.96863	0.9
443.11862	1.3
444.53616	0.9
445.13943	2.2
455.12521	6.4
456.13077	1.0
457.14087	2.2
459.15479	1.4
469.14169	1.7
471.15714	1.2
473.13745	1.3
477.17987	0.9
485.13599	3.5
487.15442	1.9
488.33313	1.2
489.34354	27.9
490.34833	1.7
491.10040	11.7
507.35495	5.6
515.14667	3.0
529.16498	2.6
530.17279	1.6
549.36462	6.0
559.13556	13.2
560.13458	1.2
573.15094	1.5
593.26422	1.0
600.19965	1.2
651.24127	1.6
683.26532	2.0
717.29401	1.4
724.21368	2.0
725.25647	1.5
756.24316	5.1
757.26569	1.1
767.26660	2.4
785.28149	4.0
787.26447	6.0
798.26422	1.2
811.27185	4.4
817.30505	4.5
819.28796	1.3
829.27161	3.7
833.28595	1.5
837.29755	1.3
843.28680	9.1
847.28314	86.5
848.28815	16.4
861.29871	15.2
862.30493	4.1
879.30927	90.3
880.31281	16.6
1009.31085	7.1
1010.31488	1.6
1041.33582	4.4
1092.11292	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	1083.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
76.29243	1.1
105.40019	1.2
106.06630	9.3
109.02950	2.6
120.22347	1.2
122.06113	6.9
123.04520	1.4
133.02937	7.5
134.03682	1.7
134.06123	36.1
135.04518	8.6
139.02655	1.1
145.02899	1.8
151.03969	2.5
152.07164	8.1
159.04443	1.4
161.02454	11.3
168.65982	1.1
175.03955	1.1
179.03482	3.5
192.01965	1.2
204.11310	1.1
213.10332	2.3
239.11873	2.5
241.13353	1.5
253.05077	3.7
263.05698	1.7
264.06647	6.8
276.06622	3.2
276.37631	1.2
278.04495	1.4
285.12381	3.1
291.11386	1.5
308.05521	1.6
313.07050	2.7
322.07263	1.8
340.11267	1.5
352.10794	1.8
354.12418	3.1
355.13608	1.3
356.13773	1.4
359.68735	1.5
366.12146	2.7
367.09805	2.3
368.10095	2.5
368.14038	3.9
370.15643	7.2
382.11865	3.8
382.15665	4.0
383.12811	6.5
394.11847	4.0
395.12772	2.2
396.13379	5.0
398.15085	35.1
399.15570	1.6
402.14752	1.2
408.13617	1.8
410.15228	15.5
411.15167	2.3
413.13672	1.2
424.16830	3.0
455.12201	2.1
471.15213	1.3
483.18588	1.4
485.13223	1.6
486.17310	1.2
488.18723	1.5
501.19363	2.0
502.19907	1.6
503.20584	1.9
504.20816	1.9
517.15649	1.7
517.22498	4.6
527.20367	1.3
529.18408	2.9
530.19434	2.8
535.23499	1.3
545.22003	10.9
546.21936	1.7
559.13300	6.7
563.22931	2.6
577.24390	3.5
605.24011	15.5
606.24139	2.2
637.26752	14.7
638.27258	1.4
639.24725	2.4
649.22974	44.2
650.23291	5.8
681.25623	100.0
682.25903	14.5
785.24573	2.7
803.29114	1.8
809.64484	1.3
815.29468	4.9
827.26440	2.1
835.28009	2.0
845.26715	30.6
846.26923	4.9
859.28870	5.9
877.29364	43.8
878.29871	6.6
997.32410	1.8
1039.32141	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	1081.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00881	0.4
85.73401	0.2
89.02462	0.3
98.20590	0.8
101.02434	0.6
109.02935	0.5
113.02420	0.3
121.02945	1.0
122.03749	0.9
123.04513	1.8
130.04167	0.3
133.02953	3.2
134.03766	2.1
135.04544	1.5
137.02454	3.6
139.03998	0.4
146.03735	1.1
147.04495	0.8
149.02472	0.4
150.03204	1.2
151.04027	2.7
159.04518	1.7
160.05318	2.0
161.02441	2.1
161.05978	0.4
162.06863	0.3
172.05313	1.9
173.06113	2.0
174.03192	1.4
174.06845	0.6
175.04031	1.5
175.07600	0.7
176.04736	0.6
178.02721	4.5
179.03508	0.6
185.05989	0.7
186.06822	1.0
187.04016	2.3
187.07716	0.6
188.04742	0.4
189.05539	0.5
190.06339	2.8
195.13921	0.5
197.06203	0.5
199.07521	0.3
200.04788	0.9
201.05560	1.7
202.06332	2.2
203.06931	0.4
204.04219	0.5
211.07530	0.3
211.13399	3.0
223.13390	0.4
227.03615	0.5
228.04239	0.4
229.12285	0.3
255.13986	0.4
257.15393	0.5
259.13364	0.4
269.15503	0.4
271.13535	1.9
275.20264	0.3
281.15363	0.5
283.13397	10.5
284.13730	0.3
285.14923	0.6
287.16461	0.8
289.14441	0.8
293.21271	0.9
297.14981	1.3
298.15186	0.4
299.13058	0.5
299.16504	1.0
301.14441	5.2
309.14893	3.1
311.12885	0.7
315.16006	7.4
316.16159	0.6
317.14215	0.4
317.17499	1.0
325.14606	1.5
327.15955	5.8
328.16208	0.4
329.13522	0.3
333.17010	2.6
343.15298	0.8
345.17062	2.0
353.14050	0.6
389.15869	0.5
407.17035	0.5
463.19986	0.3
537.23553	0.4
581.25873	0.9
625.25122	0.4
643.26355	1.3
857.47632	0.9
870.93744	0.3
883.44861	0.5
901.45410	1.9
917.20898	0.3
919.46960	100.0
920.47321	15.6
948.32312	0.4
1081.49744	2.3
1082.51965	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	1079.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02959	0.6
91.05527	0.5
93.03480	0.8
96.35232	0.3
101.02453	1.0
107.05013	0.8
109.02941	2.1
113.02449	0.7
117.03469	3.8
119.05028	2.4
121.02927	0.6
121.12463	0.3
123.04521	10.2
124.04922	0.5
132.02156	0.5
133.02963	5.3
134.03722	1.1
135.04527	28.6
136.04846	0.5
137.02399	0.4
145.02946	12.9
147.04517	1.0
148.05305	35.9
149.05629	7.3
150.05872	0.6
151.04015	1.2
161.02451	10.2
161.04517	0.5
162.02841	0.4
163.04034	2.2
163.07645	31.1
164.04785	1.0
164.07970	7.5
165.08235	0.9
179.03500	24.9
179.07086	1.3
180.03804	0.8
197.04546	62.3
198.04907	2.1
203.05492	1.9
204.05917	0.4
215.05560	0.4
237.37019	0.3
267.06589	1.1
307.08249	3.5
309.04181	0.6
311.05634	0.8
341.08878	0.5
359.09875	37.9
360.10281	2.1
367.13779	0.4
387.16409	0.4
443.13559	0.5
469.11298	0.7
473.33029	0.6
474.32922	1.0
485.32532	1.3
486.33099	1.2
487.12408	1.3
503.33777	11.2
504.34109	13.9
505.13516	100.0
505.33917	4.7
506.13855	8.9
521.13098	1.1
563.20758	0.4
622.40942	0.6
623.41302	0.4
637.22711	0.5
667.16522	13.5
668.17047	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	1079.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
107.05044	0.4
109.02962	0.8
117.03474	0.4
121.47676	0.3
123.04535	7.7
132.02185	2.0
133.02963	27.5
134.03749	0.8
135.04527	19.7
136.04810	0.6
151.04021	0.4
161.02448	100.0
162.02789	3.8
179.03506	15.8
180.03838	0.8
191.95586	0.4
194.73936	0.4
197.04547	20.3
198.04900	0.6
295.06134	0.4
331.08139	0.4
359.07727	72.0
360.08127	5.9
425.18094	0.4
539.12390	0.6
664.78143	0.5
719.15979	0.9
756.30133	0.4
767.72870	0.4
780.13989	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	1077.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
78.17050	0.1
82.63422	0.1
89.02425	0.2
91.49889	0.1
93.03449	0.2
98.19896	0.2
101.02442	0.2
101.72182	0.1
114.00838	0.1
119.05045	0.3
121.02978	1.0
122.03729	0.3
147.04543	1.9
148.05307	100.0
149.05621	3.6
161.02486	0.5
162.02800	0.1
163.07651	89.9
164.07951	3.6
164.09323	0.2
193.84875	0.1
203.05595	0.3
261.30704	0.1
345.62689	0.1
359.07733	0.1
367.13953	2.8
368.14325	0.2
393.31500	0.2
421.31076	0.3
435.13370	0.1
441.33743	1.7
457.33405	0.4
459.34848	0.5
485.32791	1.0
486.32782	0.2
501.32031	0.1
503.33792	16.6
504.34064	2.0
636.03644	0.2
665.39209	0.2
735.10663	0.1
749.13531	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	1077.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
82.23021	0.2
85.02947	1.2
95.01379	0.3
99.00886	0.3
101.02436	1.2
109.02997	0.3
113.02437	0.9
121.02949	1.0
122.03752	0.4
125.02438	0.3
129.29109	0.2
133.02997	0.2
135.04527	0.5
143.03511	0.3
147.04547	1.8
148.05305	100.0
149.05615	3.3
161.02426	0.8
161.04536	1.1
163.07648	85.0
164.04732	0.2
164.07971	3.7
203.05611	5.3
215.58501	0.2
256.03830	0.2
277.05280	0.3
295.06311	0.3
313.07217	0.5
367.13943	1.9
389.28412	0.3
407.29428	0.6
419.29535	0.5
437.30765	0.4
443.31540	0.4
453.29532	0.2
467.80472	0.2
485.32742	5.1
486.32956	0.6
501.31714	0.3
502.32620	0.6
503.33774	66.1
504.34109	7.7
545.34906	0.4
555.11505	0.3
934.58380	0.2
1107.92786	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	1073.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05092	1.9
88.08103	0.6
94.06649	0.9
104.05095	0.6
106.06636	4.6
107.03748	0.8
108.04564	0.9
120.04555	0.8
120.08208	0.7
121.05334	0.8
122.06133	9.9
130.06639	0.8
132.04575	0.7
134.06133	16.8
136.07707	0.8
152.07207	2.0
160.04002	1.1
160.06482	1.3
160.07712	0.8
174.05595	1.3
180.06670	0.8
186.05630	0.9
188.07156	4.5
194.08150	0.7
211.08841	1.1
213.10320	5.1
223.08794	1.2
224.09586	1.0
225.10367	3.0
226.11148	1.0
227.11926	2.5
235.08694	0.9
236.63943	0.5
237.10333	1.9
238.11061	0.6
239.11879	6.4
241.13449	3.9
249.10329	1.9
250.07404	2.8
250.11349	0.8
251.08237	1.6
251.11914	2.4
253.09856	2.1
263.08249	0.9
264.09097	1.0
265.06317	0.7
265.09842	3.8
266.10620	1.3
267.11349	2.1
269.13089	0.7
277.09811	5.0
278.07050	4.4
278.10544	1.7
279.07767	4.8
279.11368	3.0
285.12433	12.1
291.07779	1.9
291.11536	1.5
292.08575	1.8
293.09348	15.5
293.12939	4.0
294.09982	5.0
295.10873	7.5
305.09375	3.8
306.10120	3.3
307.10919	6.3
309.12509	1.5
319.10919	0.7
321.08844	1.3
321.12372	0.9
328.10971	0.9
337.08258	11.5
337.11978	1.2
338.09030	1.9
339.09909	1.3
342.12308	1.0
356.14017	1.4
358.15674	3.8
359.16006	0.8
365.11465	1.6
367.13440	1.0
368.14020	1.3
370.11816	1.6
370.15640	2.0
371.16418	0.7
372.17166	1.1
382.11716	0.8
383.12494	0.7
384.13342	1.9
384.17606	0.8
397.13913	0.8
398.15063	2.1
399.15744	1.7
400.16605	7.1
401.17413	1.0
412.17102	3.7
413.17447	2.2
414.18237	1.1
418.18442	0.7
426.14523	1.6
440.16040	1.0
441.16873	3.0
442.17740	6.8
444.15735	1.5
456.19330	4.4
458.16919	1.3
460.18866	1.3
468.15747	1.5
472.15378	1.3
474.20490	1.3
485.15942	1.1
486.16550	5.5
500.18033	1.6
501.19070	2.5
502.19815	5.0
505.22513	1.1
516.21655	3.1
518.19812	1.0
519.24567	0.7
532.21326	0.7
545.17957	3.5
546.18909	9.2
547.24200	2.7
560.20447	7.0
565.24506	1.2
577.21277	0.8
578.21259	1.3
579.26160	0.8
591.22705	2.5
592.23004	20.2
593.23279	1.6
607.25861	6.8
608.26288	1.2
623.25165	2.3
639.28241	14.6
640.28864	2.6
651.24542	8.9
652.24872	0.9
673.29114	1.8
683.27203	100.0
684.16431	1.1
684.27625	16.8
715.29840	76.5
716.30145	12.5
743.12366	0.7
865.28137	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	1073.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
78.82319	0.4
84.15057	0.3
86.58501	0.3
90.58216	0.5
108.02179	2.8
109.02955	72.5
110.03297	1.0
115.05553	0.4
119.05070	0.7
121.03003	0.4
123.04523	1.4
127.60320	0.4
130.04288	0.7
131.05019	1.7
133.02963	5.2
135.04529	7.7
145.02939	2.4
146.03719	1.1
147.04524	6.0
151.03983	0.6
158.03738	1.2
159.04520	27.1
160.04901	0.8
161.02437	3.5
163.04027	1.0
173.02487	0.5
174.03200	0.7
175.04002	5.5
179.03429	2.6
189.01912	0.3
191.03514	0.9
197.06067	0.5
198.06912	1.3
199.07564	0.9
203.03493	17.2
204.03816	0.7
211.07817	0.5
221.06105	0.5
223.07623	0.6
225.05505	1.0
226.06343	0.9
227.07135	0.5
237.05600	1.9
239.07176	0.9
241.08786	0.8
247.02484	2.3
250.06291	0.5
251.07111	3.0
252.07707	0.7
253.05014	1.3
254.05785	3.7
255.06662	1.0
267.06717	3.1
268.07404	0.6
269.08191	31.3
270.08640	1.8
285.07684	0.7
295.06085	1.7
311.05655	0.5
313.07175	14.2
313.10849	0.8
314.07547	1.0
333.22067	0.4
357.06143	100.0
358.06491	7.0
555.11060	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	1067.521
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00873	0.3
87.00866	0.5
89.02436	0.3
95.05005	0.3
96.96000	0.3
101.02435	0.6
109.02958	0.5
115.60670	0.2
116.92882	0.2
121.02964	0.8
121.90246	0.2
122.03740	1.0
123.04517	1.4
132.02084	0.3
133.02959	3.0
134.03772	2.4
135.04532	1.9
137.02446	3.3
139.04008	0.9
146.03729	1.0
147.04468	0.7
149.02516	0.4
150.03230	1.1
151.04004	2.7
154.02748	0.3
159.04530	1.9
160.05275	1.1
161.02473	1.8
161.04665	0.3
161.06075	0.9
162.03183	0.5
172.05341	1.4
173.06078	1.8
174.03212	0.8
174.06795	0.6
175.03995	1.6
175.07526	0.3
176.04742	0.6
178.02733	4.2
179.03474	0.3
185.06070	0.5
186.06841	0.6
187.04007	2.0
187.07561	0.5
188.04779	0.4
189.05595	0.5
190.06349	2.6
192.94063	0.2
193.12366	0.2
197.06105	0.3
200.04773	1.0
201.05559	2.1
202.06354	2.4
204.04257	0.4
211.13420	1.5
241.12404	0.4
243.13948	0.2
255.13913	0.5
257.15570	0.4
259.13339	0.4
261.14877	0.2
271.13403	2.0
273.14856	0.2
279.20276	0.5
279.23282	7.2
280.23581	0.6
283.13397	10.9
283.16699	0.5
284.13791	0.7
285.14932	0.8
287.16641	0.6
289.14545	0.5
297.14984	1.1
299.12848	0.9
299.16495	1.1
301.14465	4.2
301.17767	0.5
302.14816	0.3
309.14944	2.1
310.15091	0.3
311.12863	1.0
313.14392	0.4
315.15988	6.9
316.16263	0.4
317.13861	0.3
317.17554	0.6
325.14374	1.3
327.15985	6.0
328.16312	0.5
333.17065	1.3
343.15451	0.9
345.16895	1.2
353.14087	0.4
357.17395	0.2
371.14862	0.3
389.15964	0.4
625.24902	0.3
643.26312	0.4
843.49225	1.3
869.45831	0.5
887.47583	1.7
888.49615	0.3
904.48041	0.7
905.49017	100.0
906.49365	18.5
1067.52417	1.7
1068.52832	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	1067.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00877	0.5
76.05062	0.3
93.03457	0.5
99.47075	0.3
101.02439	0.7
121.02969	1.3
122.03720	1.1
123.04507	2.0
131.34970	0.3
133.02983	4.4
134.03787	2.4
135.04553	2.3
137.02467	3.6
139.04016	1.0
146.03720	1.4
147.04515	1.0
149.02463	0.6
150.03215	1.0
151.03999	4.0
154.02715	0.3
158.55077	0.3
159.04526	1.3
159.23256	0.3
160.05272	1.3
161.02483	1.9
161.06053	0.7
162.03136	0.5
162.06863	0.5
172.05280	1.7
173.06094	1.8
174.03271	0.6
174.06813	0.7
175.03992	1.4
176.04750	0.4
178.02708	4.4
179.03427	0.7
183.01360	0.4
185.06032	0.4
186.06772	0.4
187.04004	2.4
187.07617	0.5
188.04898	0.4
189.05534	0.4
190.06343	2.6
199.04070	0.4
200.04752	0.7
201.05573	1.6
202.06364	2.7
211.13390	3.5
217.12173	0.6
255.13896	0.4
257.15472	0.9
271.13354	1.9
277.21841	0.5
279.23315	3.3
281.15692	0.4
283.13425	8.7
284.13675	0.9
285.14984	0.8
287.16501	1.6
288.17105	0.4
289.14505	0.6
297.15091	1.1
299.13058	0.6
299.16534	1.1
301.14487	6.2
302.14771	0.5
309.14871	2.3
311.12772	0.7
315.16000	7.2
317.13870	0.6
317.17606	0.8
325.14444	0.9
327.15997	5.8
328.16321	0.7
329.13696	0.4
333.17099	2.4
343.15454	1.0
345.16977	2.1
353.13864	0.4
407.17465	0.4
422.26736	0.4
581.25787	0.7
643.26013	0.8
843.48938	1.0
869.46216	0.4
887.47546	2.0
888.48621	0.5
903.47205	0.6
904.48022	2.1
905.49005	100.0
906.49365	16.6
1052.65002	0.4
1067.52185	1.6
1068.51453	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	1065.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
74.57268	0.2
75.00861	0.4
78.95880	0.2
85.02968	0.3
87.00872	0.4
89.02428	0.3
93.03442	0.3
95.01369	0.2
98.19881	0.3
101.02441	0.6
105.03469	0.2
108.02212	0.2
109.02912	0.7
111.00861	0.3
113.02451	0.3
121.02946	1.3
122.03774	0.8
123.04515	1.9
124.01727	0.2
130.04164	0.2
132.02173	0.4
133.02962	3.3
134.03758	2.5
135.04506	1.9
137.02444	3.8
139.04015	1.1
144.05879	0.1
146.03728	1.8
147.04529	0.9
149.02391	0.4
149.06027	0.2
150.03214	1.2
151.03993	2.6
158.03693	0.2
159.04509	1.6
160.05324	1.6
161.02451	1.9
161.04735	0.1
161.06049	0.9
162.03127	0.3
162.06775	0.3
172.05304	1.9
173.06082	2.1
174.03195	1.1
174.06847	0.8
175.04005	1.8
175.07607	0.3
176.04736	0.7
178.02704	4.0
179.03346	0.2
183.04469	0.2
183.13913	0.3
184.05296	0.3
185.06026	0.5
186.06834	0.8
187.04002	2.6
187.07614	0.6
188.04721	0.4
189.05511	0.5
190.06367	3.0
196.05157	0.3
197.04420	0.2
197.06058	0.2
198.06860	0.2
199.04007	0.3
199.07610	0.2
200.04790	1.0
201.05548	1.8
202.06355	2.6
204.04207	0.6
211.07553	0.3
211.13412	1.9
212.04967	0.2
213.05588	0.2
213.09131	0.1
214.06505	0.2
215.07037	0.2
217.12373	0.2
227.03513	0.3
227.10699	0.2
228.04185	0.2
241.12297	0.3
246.05324	0.4
253.09398	0.2
255.13887	0.6
257.15433	0.5
259.13321	0.4
261.14899	0.2
267.14014	0.2
269.11798	0.2
269.15479	0.2
271.13388	1.9
272.13748	0.2
273.14853	0.3
277.21716	6.1
278.22076	0.3
281.15240	0.3
283.13397	11.6
284.13806	0.8
285.14917	0.9
287.13361	0.2
287.16425	0.8
289.14395	0.4
297.14920	1.2
299.12839	0.6
299.16507	1.2
300.13629	0.2
301.14471	4.7
302.14749	0.3
309.14954	3.0
311.12939	0.9
313.14389	0.4
315.15994	8.3
316.16470	0.2
317.13898	0.4
317.17603	0.5
325.14398	1.2
327.15976	6.1
328.16299	0.3
329.14084	0.2
333.17096	1.6
334.17413	0.2
343.15518	1.1
345.17133	1.6
353.13965	0.5
371.14893	0.5
389.16107	0.3
563.25195	0.2
581.26172	0.5
625.24866	0.4
643.25958	0.7
829.46588	0.2
841.47369	1.4
867.44867	0.7
885.46161	2.6
886.46265	0.5
903.47443	100.0
904.47766	18.2
1049.06787	0.2
1065.50684	1.8
1066.52075	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	1065.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00867	0.5
81.35489	0.1
82.78297	0.1
83.97888	0.1
85.02965	0.2
87.00880	0.2
89.02443	0.5
93.03448	0.5
95.05059	0.1
101.02429	0.4
105.03443	0.1
106.04260	0.2
107.05001	0.1
108.02158	0.2
109.02943	0.6
113.02470	0.2
121.02962	1.2
122.03753	1.0
123.04530	1.3
124.01670	0.1
130.04218	0.2
132.02153	0.3
133.02962	3.8
134.02812	0.2
134.03749	2.6
135.04552	1.6
137.02458	3.5
139.04019	1.1
146.03731	1.4
147.04527	0.8
148.05309	0.1
149.02437	0.5
150.03238	0.9
151.04012	2.4
154.02786	0.1
158.03705	0.3
158.80627	0.2
159.04507	1.2
160.05290	1.4
161.02463	1.7
161.06094	0.7
162.03148	0.4
162.06822	0.3
172.05316	1.8
173.06065	1.8
174.03249	1.2
174.06802	0.6
175.03989	1.6
175.07610	0.3
176.04800	0.7
178.02701	4.3
179.03406	0.3
183.13753	0.3
184.05276	0.3
185.06026	0.9
186.06854	0.7
187.04016	2.3
187.07588	0.4
188.04703	0.3
189.05582	0.5
190.06348	3.0
191.06723	0.2
197.06090	0.3
198.06812	0.2
199.07558	0.3
200.04779	0.9
201.05573	1.9
202.06369	2.4
203.03525	0.2
204.04259	0.5
211.07689	0.2
211.13400	3.1
212.08591	0.1
212.39618	0.1
213.05365	0.1
217.12480	0.2
218.05795	0.2
227.03458	0.2
231.13768	0.2
239.14308	0.3
241.12253	0.4
243.13878	0.2
245.11777	0.2
246.05379	0.2
253.09207	0.2
255.13884	0.5
257.15488	0.4
259.13351	0.4
261.14993	0.2
267.13986	0.2
268.10989	0.1
269.11923	0.1
271.13437	1.7
271.16528	0.2
272.13745	0.1
273.14856	0.3
277.21735	2.6
281.15436	0.4
283.13397	11.3
283.16623	0.4
284.13693	0.7
285.15009	0.6
287.13309	0.2
287.16379	0.8
289.14368	0.6
297.14981	1.5
299.12860	0.7
299.16541	1.2
300.13495	0.2
300.16815	0.2
301.14438	6.0
302.14816	0.6
305.17493	0.2
309.14960	2.8
310.15240	0.2
311.12875	0.9
313.14435	0.5
315.15982	7.9
316.16266	0.4
317.13876	0.3
317.17535	0.8
325.14456	1.5
327.12912	0.3
327.15994	6.0
328.16318	0.4
329.13943	0.3
333.17081	2.8
334.17044	0.2
335.18698	0.1
343.15561	1.0
345.17065	1.8
353.13837	0.3
371.15033	0.4
389.16043	0.5
407.17117	0.5
471.34760	0.3
537.23169	0.2
569.26440	0.3
581.26007	0.5
625.25208	0.6
628.34399	0.1
643.25970	1.1
797.44775	0.2
841.47534	1.4
842.46918	0.2
867.46161	0.6
868.45636	0.1
885.46368	2.4
886.47473	0.6
903.47455	100.0
904.47797	18.8
1065.50366	1.5
1066.51099	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	1061.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
74.23421	0.2
75.00879	6.5
76.98985	0.2
83.01391	2.2
84.02187	0.3
84.17699	0.2
85.02956	15.8
87.00868	3.8
87.01407	0.2
89.02444	2.5
91.43886	0.2
95.01384	4.0
97.02921	0.4
99.00883	6.5
101.02453	2.7
103.00379	4.9
107.01402	0.4
111.00874	0.6
113.02455	25.1
114.02790	0.4
115.00375	1.9
117.01965	1.4
117.03457	1.6
129.01976	1.2
131.03503	1.6
133.01440	0.9
139.00359	0.5
149.02425	0.7
151.00348	0.8
157.01439	1.4
157.61790	0.2
159.04480	0.4
159.64511	0.2
161.02481	0.4
163.02493	0.5
175.02483	4.8
193.03532	11.6
194.03941	0.3
225.05609	0.5
227.03493	0.2
235.04608	0.9
241.24423	0.2
269.04550	20.0
270.04904	1.3
275.04199	0.2
289.05652	1.9
307.06720	0.3
311.05576	0.6
333.04541	1.1
341.06580	0.3
345.53885	0.2
351.05673	100.0
352.05997	4.5
487.09027	1.1
603.09943	0.3
621.10950	24.0
622.11469	2.6
675.02887	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	1053.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02948	17.9
75.00876	1.1
75.55182	0.9
83.01382	10.8
83.16136	1.0
85.02959	36.2
86.00102	0.9
87.00862	6.1
88.87528	1.1
89.02448	55.4
95.01377	8.1
97.02946	1.2
99.00887	9.5
100.64689	1.0
101.02448	69.0
102.02782	1.6
107.05099	0.9
109.02934	1.2
111.00870	1.5
113.02451	41.2
113.03236	2.1
119.03508	21.9
125.02464	2.1
129.01923	1.2
131.03496	4.2
133.02942	2.0
135.04495	4.2
137.02396	1.0
143.03500	10.8
149.04561	2.1
159.02992	6.2
159.04211	0.9
161.02524	6.6
161.04549	39.3
162.04793	0.9
179.05614	43.4
197.04578	1.3
205.03539	1.2
208.09245	1.0
251.09355	1.2
255.02998	4.2
269.04547	2.2
269.10294	68.0
270.10605	2.5
283.02704	1.2
311.11362	100.0
312.11752	4.9
355.10287	5.8
359.07751	2.9
405.26843	1.4
417.08145	1.3
437.30551	1.7
445.07779	3.6
453.29980	4.0
455.31583	3.1
469.29584	2.8
473.32727	1.3
505.31790	3.4
506.31500	1.0
517.31683	23.2
518.31836	2.0
535.32745	14.0
536.33228	1.5
539.11145	1.1
545.78040	1.0
719.15613	1.5
1045.40454	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	1051.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99305	1.3
73.02951	7.9
75.00895	0.8
75.48528	0.4
83.01384	3.8
85.02957	17.1
87.00878	1.4
89.02451	6.5
92.81078	0.5
95.01386	2.4
97.02935	1.0
99.00885	4.8
101.02449	18.9
113.02453	14.0
114.02830	0.6
119.03502	1.7
122.06111	0.9
125.02431	0.6
133.02972	1.0
134.06142	0.5
135.04543	4.0
143.03487	1.1
145.02963	0.6
159.03004	2.5
161.02527	2.6
161.04552	12.3
177.01984	0.6
179.03439	3.4
203.05690	1.3
264.33575	0.5
267.06631	0.6
270.86197	0.5
311.05453	0.9
315.18121	28.9
316.18423	1.7
337.08493	0.6
357.19174	22.8
358.19595	1.4
359.16602	0.6
360.65305	0.6
401.17621	0.9
401.22235	0.8
427.32330	1.1
443.35031	1.0
467.31454	1.0
469.33273	9.0
470.33530	1.0
473.27682	0.6
487.34286	100.0
488.34619	10.1
515.28503	2.2
641.26050	3.9
642.27136	0.7
673.28369	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	1053.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02948	0.3
79.08850	0.1
83.01378	0.1
85.02971	0.7
87.00846	0.1
93.03458	1.2
95.01406	0.2
101.02441	0.8
111.44268	0.1
113.02457	0.6
115.05529	1.1
117.03470	9.4
118.03806	0.2
119.05029	50.6
120.05349	1.4
121.02966	0.3
124.10571	0.1
133.02924	0.3
135.04530	0.7
143.05025	18.1
144.05360	0.5
145.02956	24.0
146.03299	0.5
147.04510	0.2
159.03174	0.1
159.04572	0.3
161.02426	0.5
161.04553	1.9
161.06056	0.9
163.04010	100.0
164.04333	3.4
187.03999	24.4
188.04251	1.0
188.05682	0.3
205.05106	0.2
225.53061	0.1
294.09805	0.6
327.40259	0.2
349.09250	0.6
362.08871	1.0
384.60361	0.1
422.12476	0.8
440.13467	1.0
482.14566	23.1
483.14801	2.3
492.66931	0.1
785.49744	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	1047.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20728	0.1
105.65208	0.1
120.26221	0.1
126.90500	0.3
133.02989	0.1
155.08250	0.1
166.28603	0.1
205.15883	0.2
228.94229	0.1
377.28409	0.2
391.30078	0.1
393.31665	0.1
397.18631	0.1
407.33224	1.0
408.33322	0.2
423.32846	0.1
425.34128	0.3
439.32385	0.1
469.33011	0.2
471.34766	100.0
472.35089	11.8
482.76657	0.1
741.78967	0.1
790.14435	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	1049.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02950	1.6
77.03986	0.2
83.01393	0.7
84.72018	0.1
85.02949	0.2
89.04003	0.2
93.03489	0.1
95.05026	0.1
97.06623	0.1
101.02442	2.3
104.02649	0.2
105.03441	0.6
109.02956	1.2
113.02464	0.4
115.01947	0.3
121.02962	0.2
122.03727	0.2
123.04536	3.3
125.02454	0.3
131.03548	0.3
132.02165	2.4
133.02960	33.7
134.00566	0.1
134.03296	1.2
135.04507	0.4
135.41304	0.1
141.28091	0.1
143.03506	0.3
149.02470	0.4
150.03250	1.2
151.04008	4.0
152.04408	0.2
155.03508	0.3
159.04515	1.0
161.02446	100.0
162.02783	3.7
163.03996	0.3
177.01909	0.3
203.03821	0.2
203.05653	0.8
205.16006	0.2
205.25943	0.1
269.08188	2.1
270.08517	0.2
313.07169	44.8
314.07535	3.4
375.27032	0.1
377.28598	0.2
391.30048	0.3
393.31693	0.3
407.33255	1.9
408.33481	0.3
423.32870	0.6
424.32608	0.1
425.34286	3.2
425.39981	0.2
426.34528	0.4
439.32181	0.5
441.33691	1.4
442.34476	0.2
443.35535	0.1
451.32364	0.1
457.33234	0.3
469.33228	3.1
470.33658	0.3
483.34927	0.9
485.32648	0.2
486.32910	0.2
487.34274	28.0
488.34686	3.4
501.35852	1.6
502.36212	0.2
513.31769	0.5
527.34399	0.1
529.35315	3.6
530.35791	0.7
559.36292	0.4
571.36530	0.2
573.34033	0.2
691.40356	0.3
861.94324	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	1046.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
91.83503	25.7
116.92852	100.0
133.02972	36.8
152.32184	30.8
154.55370	29.5
179.50246	25.3
231.40300	35.1
239.95697	31.2
411.94226	29.3
497.08005	28.7
555.28558	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	1047.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	30.6
75.00854	0.8
81.03433	0.4
83.01379	0.4
83.05020	0.8
85.02947	0.6
87.00875	0.6
89.02470	0.7
93.03448	0.9
95.05024	0.5
98.20573	0.6
99.00933	0.4
101.02437	1.2
109.02944	1.4
113.02442	0.4
117.03503	0.5
121.02948	1.7
122.03723	1.8
122.06062	0.5
123.04539	2.8
125.02263	0.3
132.02196	0.6
133.02962	6.5
134.03748	4.2
135.04539	5.2
136.04903	0.3
137.02435	4.5
139.04025	1.5
145.02943	0.6
146.03720	2.0
147.04521	1.6
149.02454	0.9
149.06091	0.4
149.84540	0.3
150.03252	1.8
151.04008	4.3
152.07211	0.7
159.04486	2.4
160.04143	0.3
160.05315	2.6
161.02451	8.0
161.06036	1.1
162.02951	0.5
163.04059	0.8
163.11279	1.0
165.12833	0.5
171.40306	0.4
172.05305	2.7
173.06079	2.4
174.03209	1.8
174.06755	1.2
175.04018	2.6
175.07600	0.7
176.04762	1.1
177.01932	0.7
178.01183	0.4
178.02716	7.3
179.03539	2.2
179.04895	0.3
181.04999	0.4
183.04662	0.4
183.13838	0.5
184.05328	0.4
185.06081	0.9
186.06863	1.2
187.04033	3.8
187.07545	0.5
188.04782	0.6
189.05583	0.6
190.06357	3.8
197.04492	0.8
197.06125	0.6
199.07642	0.4
200.04784	1.7
201.05573	2.3
202.06386	3.4
204.04396	0.5
205.74681	0.4
209.11841	10.2
211.13393	3.6
227.03441	1.1
227.12930	0.5
228.04279	0.5
231.13879	0.5
241.09872	0.5
250.07539	0.3
252.09018	0.5
253.09648	0.7
255.13779	0.7
257.15393	0.8
259.13412	0.6
263.08090	0.4
265.09705	0.6
267.06714	0.5
271.10983	0.4
271.13440	3.1
273.15060	0.5
278.06976	0.8
279.07712	0.8
283.13397	19.0
284.13760	1.3
285.14893	1.0
287.12946	0.6
287.16443	1.2
289.14352	0.7
293.09363	2.3
295.10788	1.4
297.14902	1.7
299.12747	1.3
299.16486	1.8
301.14444	9.1
302.14609	0.5
309.14969	4.8
310.15070	0.4
311.12897	1.5
315.16003	11.9
316.16193	0.7
317.14001	0.7
317.17413	0.7
321.08670	1.0
325.14783	1.7
327.15991	9.7
328.16360	1.0
333.17035	3.4
339.09818	0.6
343.15402	1.5
345.17102	2.8
353.13919	0.6
359.07724	0.5
371.15137	0.7
389.16092	0.9
407.17007	0.6
467.67517	0.4
487.33798	0.5
497.34811	0.5
537.23456	0.7
581.26093	1.0
597.23627	0.5
611.21326	0.7
625.24670	1.2
643.26697	2.7
643.50146	0.4
644.27863	0.6
655.20490	2.7
687.23199	3.5
688.23682	0.5
791.38586	1.7
817.36548	1.6
835.37823	3.3
836.38391	0.8
853.38605	100.0
854.38885	15.3
885.41235	44.2
886.41650	7.8
1015.41974	5.6
1016.42181	0.9
1028.59058	0.5
1047.44434	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	1046.553
Annotation	Unknow
Peak:m/z	Relative Intensity
94.68524	68.3
108.22769	75.6
137.43318	72.6
207.64600	71.7
389.52875	73.2
471.34305	100.0
550.09540	79.9
1047.48022	92.4
1058.36462	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	12.7
76.43823	0.3
80.05052	0.8
85.18063	0.3
89.03960	0.3
93.20615	0.3
94.06606	0.4
101.02441	0.5
103.83563	0.3
105.78295	0.2
106.06634	5.2
107.05027	1.1
108.04540	0.8
109.02963	1.6
117.03419	0.6
122.03769	0.5
122.06121	3.0
123.04518	5.7
129.08318	0.3
130.06631	0.5
132.04547	1.4
132.08189	2.3
133.02974	3.0
134.03836	3.1
134.05066	0.6
134.06119	30.6
135.04527	31.6
136.04863	0.8
136.40932	0.3
144.04524	0.4
146.06100	0.5
149.02377	0.3
150.87288	0.3
151.03996	1.0
152.07207	2.6
156.08197	0.7
158.06113	0.8
161.02446	8.4
174.05624	0.4
176.07088	0.4
179.03499	9.6
194.08165	0.8
197.04543	11.6
221.10770	1.2
223.12369	1.1
225.10320	0.9
227.11761	0.4
233.10823	1.0
234.08000	0.9
235.08600	0.4
237.10358	0.5
239.11971	2.3
242.08342	2.0
245.10751	0.4
246.08096	0.3
247.08821	0.7
247.12341	1.4
248.09531	0.4
249.10330	5.1
249.13951	0.7
251.11812	0.6
257.11020	0.3
259.08606	0.6
259.12582	0.4
260.09427	0.8
261.10287	2.2
262.10947	0.5
263.11908	2.7
265.09738	0.5
267.06552	0.4
267.11453	0.4
271.08533	0.3
273.07379	0.4
273.10275	1.5
274.07397	0.7
275.08295	0.9
275.11862	2.3
276.09131	1.9
277.09897	0.9
278.06839	0.3
279.11493	0.9
285.10275	0.7
287.08313	1.2
288.09094	2.3
289.09814	4.6
289.13132	0.6
290.10461	1.0
291.11383	5.0
292.11902	0.5
293.09323	0.6
299.11880	1.3
300.08954	0.4
301.06387	0.5
301.09827	1.9
302.06992	0.7
302.10583	1.2
303.11359	4.5
305.09290	0.7
305.56152	0.3
306.09915	0.3
311.05368	0.5
315.07956	0.3
315.11154	0.6
317.09274	3.5
317.12894	1.4
318.09583	0.5
319.10855	0.5
323.13968	1.1
328.08426	0.4
328.14261	0.3
329.09256	2.4
330.15921	1.6
335.10379	7.7
336.11078	0.6
337.11893	0.8
338.12711	0.4
340.14377	0.4
343.10803	0.9
347.10287	5.1
348.11166	0.6
349.11835	1.7
352.14389	0.4
353.15222	0.4
354.16104	1.2
356.13898	0.8
359.07465	1.4
361.11923	3.6
362.12668	0.6
365.11661	0.4
366.12302	0.5
367.13477	0.4
368.17633	1.1
370.19290	0.5
378.16129	0.4
381.14743	0.7
382.15469	0.5
392.17746	0.7
394.15363	0.5
396.17178	3.3
397.17841	0.4
398.14771	0.7
408.17471	0.4
410.18756	1.2
414.18280	0.9
417.27887	0.8
420.17172	0.9
421.14291	0.5
422.15070	2.1
423.15811	0.6
435.29041	0.8
436.16672	2.3
438.18286	3.8
439.18817	0.5
440.16037	2.2
449.23035	0.6
454.17584	1.3
464.16138	4.4
467.28278	0.4
477.23203	0.5
482.17215	16.7
483.17407	1.9
490.20624	0.3
496.18793	9.5
497.19308	0.9
497.29062	2.2
498.19827	0.4
500.18124	2.3
503.21362	0.8
509.02203	0.4
514.19580	1.5
515.30145	0.7
524.18262	2.6
542.19287	13.2
543.19409	1.5
545.21625	0.6
556.20868	30.4
557.21100	3.7
563.23108	0.4
574.21881	7.7
575.22046	0.9
577.24695	0.9
605.24237	3.0
606.24719	0.6
637.26733	10.7
638.27106	1.8
662.21564	2.6
680.22589	1.7
712.24994	1.1
722.23541	100.0
723.23853	16.8
749.44330	0.5
754.26178	17.6
755.26208	2.9
767.27081	0.6
965.32562	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	1039.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	6.2
91.37370	1.7
99.39181	1.8
106.06626	9.9
122.06107	5.4
123.04491	6.0
133.02960	3.5
134.03778	3.3
134.06125	26.8
135.04541	19.9
152.07207	3.1
158.06059	3.0
160.04111	1.8
161.02444	6.5
179.03497	5.3
197.04532	4.8
197.10767	1.8
223.07683	3.5
238.05089	8.9
239.05731	8.6
240.06691	7.4
243.48604	1.7
250.05066	4.4
251.05791	3.8
252.06630	2.8
263.08221	1.9
264.06528	3.2
265.09784	3.5
266.08151	11.6
274.07452	1.7
275.08218	2.9
277.09872	4.9
279.05319	6.7
280.05914	4.3
291.11215	2.2
292.06134	2.1
310.07071	4.8
371.61627	1.5
390.52908	1.6
399.13751	8.2
412.16690	4.0
431.82297	1.5
444.19232	2.9
472.18887	2.0
504.21494	5.8
634.22607	1.6
651.25287	2.1
680.24408	2.1
723.24194	5.6
739.27808	3.9
765.25708	58.8
766.26318	10.1
783.26727	31.5
784.27203	4.6
797.28308	100.0
798.28217	18.6
815.29510	27.6
816.29346	4.3
833.30182	2.9
963.30988	56.2
964.31934	10.9
995.33539	20.7
996.33710	5.3
1046.29028	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	1037.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	23.8
73.99650	0.2
75.00883	0.5
83.01374	0.2
87.00864	0.3
89.02438	0.3
93.03462	0.4
95.05042	0.3
99.22693	0.2
99.92598	0.3
101.02419	0.8
107.05087	0.2
108.02128	0.2
109.02931	0.8
110.58765	0.2
113.02438	0.3
116.92857	1.2
121.02933	1.4
122.03745	1.1
123.04521	3.2
130.04256	0.3
133.02957	3.2
134.03752	3.0
135.04546	2.2
137.02444	4.2
139.03998	1.5
145.06583	0.2
146.03755	1.5
147.04553	1.3
149.02429	0.6
149.06093	0.2
149.75684	0.2
150.03229	1.2
151.04001	2.8
154.02690	0.4
158.03690	0.4
159.04507	1.7
160.05251	0.7
161.02444	1.8
161.04771	0.2
161.06099	1.3
162.03201	0.6
162.06903	0.3
163.07719	0.4
172.05322	1.9
173.06085	2.6
174.03217	1.5
174.06761	0.6
175.04033	2.3
175.07622	1.2
176.04759	0.8
178.02689	4.7
179.03352	0.6
183.04510	0.5
183.10234	1.6
184.05298	0.4
185.06081	0.9
187.03992	3.2
187.07553	0.7
188.04774	0.7
189.05510	0.9
189.09171	0.8
190.06361	3.9
196.05330	0.3
197.06035	0.3
198.06847	0.3
199.03964	0.4
199.07671	0.5
200.04767	0.9
201.05589	2.4
201.09207	0.8
202.06345	2.6
203.06929	0.4
203.10764	0.5
204.04158	0.5
209.06097	0.4
209.09697	0.2
211.07635	0.2
213.05690	0.3
213.09201	1.2
215.07129	0.2
215.10664	0.3
217.08646	0.2
217.12454	0.3
218.05807	0.3
225.09215	0.5
227.10695	1.2
229.12335	0.9
231.10257	0.4
233.11700	0.2
237.09119	0.5
239.10655	0.3
243.10225	1.1
243.13922	0.4
253.09009	0.2
253.12213	0.5
255.10266	10.0
255.13786	0.8
256.10596	0.8
257.11682	0.3
259.09467	0.2
259.13364	0.7
261.11249	0.8
269.11810	0.7
271.09766	0.7
271.13345	1.0
273.11331	4.4
273.14447	0.4
274.11710	0.3
277.21722	5.7
278.21893	0.4
281.11758	1.8
283.09799	1.0
285.11322	0.3
287.12927	4.3
287.16098	0.2
289.11093	0.4
289.14511	0.7
297.11307	1.1
299.09662	0.2
299.12888	4.8
299.16202	0.3
301.10852	0.3
305.13962	2.3
315.12360	0.7
315.15933	0.2
317.14038	1.3
325.10718	0.3
343.11755	0.3
347.14896	0.2
359.03189	0.2
361.12869	0.3
379.13760	0.3
383.32574	0.2
509.20215	0.3
541.23474	0.3
597.21729	0.3
615.23181	0.6
615.95190	0.2
813.44305	1.3
839.41919	0.4
857.43463	2.4
875.44336	100.0
876.44611	16.7
1037.47632	1.3
1038.47913	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	1037.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	23.1
73.99656	0.2
75.00874	0.5
84.39482	0.1
85.02949	0.3
87.00890	0.2
89.02450	0.4
93.03450	0.3
99.92590	0.2
101.02460	0.5
105.03487	0.2
108.02171	0.3
109.02959	0.4
113.02487	0.3
116.92878	0.9
121.02967	1.2
122.03741	1.0
123.04535	1.5
124.01665	0.2
130.04248	0.3
132.02177	0.4
133.02965	3.9
134.03743	2.7
135.04529	1.9
137.02446	3.9
139.03992	0.9
146.03720	1.3
147.03481	0.2
147.04501	1.0
149.02463	0.6
150.03246	1.1
151.04004	3.1
154.02748	0.3
158.03734	0.2
159.04514	1.6
160.05310	1.8
161.02455	2.5
161.06056	0.5
162.03226	0.2
162.06824	0.3
172.05293	2.0
173.06078	2.0
174.03207	1.1
174.06873	0.9
175.03972	1.9
175.07672	0.5
176.04736	0.6
178.02715	4.3
179.03427	0.3
183.04411	0.2
183.13931	0.2
184.05272	0.3
185.06046	0.6
186.06842	0.8
187.04010	2.4
187.07643	0.5
188.04723	0.5
188.08398	0.2
189.05565	0.4
190.06337	3.2
196.05284	0.2
197.06094	0.3
199.07657	0.3
200.04820	0.9
201.05588	1.9
202.06360	2.7
204.04277	0.6
211.07762	0.2
211.13383	3.1
213.09296	0.3
217.12248	0.4
218.05890	0.3
225.05699	0.2
227.03506	0.3
228.04248	0.3
229.08990	0.2
231.13977	0.2
239.14490	0.2
241.12480	0.2
243.13968	0.4
245.11742	0.2
249.18605	1.6
255.13895	0.6
257.15479	0.4
259.13300	0.4
261.14941	0.4
269.11957	0.2
269.15677	0.2
271.13382	1.8
271.16644	0.2
271.17093	0.2
273.14944	0.2
281.15448	0.2
283.13400	11.6
283.16605	0.4
284.13763	0.6
285.14911	0.6
287.13364	0.3
287.16580	1.1
289.14484	0.6
297.14932	1.3
299.12869	0.8
299.16541	1.0
300.13776	0.2
301.14465	6.4
302.14835	0.3
309.14984	2.9
309.20795	0.5
310.15436	0.3
311.12921	1.0
313.14496	0.5
315.16010	7.4
316.16263	0.4
317.13876	0.5
317.17563	0.7
325.14423	1.2
327.12500	0.2
327.16016	6.5
328.16318	0.4
329.14117	0.3
333.17099	2.3
335.12823	0.2
343.15469	1.3
345.16989	1.8
346.17419	0.2
353.13895	0.5
371.14960	0.3
389.16025	0.3
407.17041	0.5
537.23718	0.2
569.26031	0.2
581.25665	0.7
617.64282	0.2
625.25067	0.5
643.26233	1.3
763.83295	0.2
813.44458	1.2
835.43378	0.2
839.42065	0.5
857.43420	2.7
858.44763	0.2
875.44348	100.0
876.44629	16.8
1022.54572	0.2
1037.47778	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	1037.475
Annotation	Unknow
Peak:m/z	Relative Intensity
71.67950	0.5
72.99312	20.1
73.14271	0.6
78.26986	0.5
85.02917	0.7
89.02458	1.0
99.92579	1.6
101.02491	0.8
113.02390	0.6
116.92867	7.7
122.03760	1.6
123.04510	1.4
132.02202	1.2
133.02959	7.3
134.03726	2.5
135.04546	4.1
136.05328	3.0
137.02452	0.8
148.05284	2.1
149.06139	0.6
150.03236	1.3
151.03984	2.6
159.04544	0.6
161.02455	7.1
162.03185	0.9
162.06938	1.0
164.04759	0.8
172.05292	0.6
175.03972	0.7
176.04782	1.3
178.02740	1.4
179.03523	0.9
202.06374	0.8
211.13414	1.3
249.18591	2.3
253.09018	0.6
257.12833	0.5
257.15451	8.1
259.17172	0.7
271.13290	0.7
273.11673	0.5
273.14960	0.7
280.58203	0.6
281.15695	0.7
285.14975	0.9
287.16537	17.3
288.16797	0.8
289.18085	0.6
297.15240	0.8
299.16479	8.8
301.14410	0.7
305.17566	4.4
309.14886	1.7
315.15976	5.8
317.17612	5.1
327.16049	5.0
333.17035	4.0
343.21375	1.0
345.17102	3.2
346.17267	0.6
361.16583	0.8
397.13681	0.7
407.17126	0.8
643.25635	1.5
813.44305	2.1
814.43866	0.8
857.43396	1.4
875.44348	100.0
876.44745	15.5
993.51501	0.8
1037.49207	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	1033.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99319	0.4
73.02949	0.5
87.04501	0.3
98.19733	0.4
101.02454	0.5
105.03463	0.2
109.02940	0.3
110.03745	0.9
113.02466	0.3
116.81161	0.2
119.05030	0.5
121.02956	0.9
123.04530	9.1
124.04804	0.3
133.02946	0.6
135.04562	0.8
145.02928	0.4
147.04539	1.7
148.05309	100.0
149.05640	4.1
152.01176	0.3
161.02469	1.4
162.02794	0.3
163.07652	89.5
164.07957	3.9
164.89389	0.3
179.03537	0.6
203.05554	0.6
241.44067	0.2
241.54294	0.2
269.04791	0.3
311.05673	0.3
327.21872	0.9
351.05579	0.4
364.51279	0.3
367.13922	2.7
368.13586	0.3
371.26080	0.4
389.24728	0.3
405.26428	3.2
411.13272	0.5
415.28595	3.3
416.28979	0.3
417.28442	0.4
423.29446	0.3
431.28104	2.2
433.29053	0.4
435.29178	0.4
437.30698	0.8
439.12430	0.5
443.27347	2.2
444.28235	0.4
445.29596	17.0
446.29990	2.0
455.31537	1.3
459.27509	7.6
460.27835	0.8
469.29434	0.5
477.28568	6.4
478.29181	0.4
487.30655	3.3
488.24365	0.3
488.31448	0.3
489.28397	1.2
499.30707	5.3
500.31201	0.8
503.33801	3.0
505.31738	3.8
506.32022	0.4
517.31702	26.4
518.32001	2.9
535.32556	2.0
577.33801	81.0
578.34131	10.4
672.13904	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	1031.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	11.3
89.03981	0.7
91.05540	0.3
93.03432	0.5
95.05054	0.4
98.20609	0.5
101.02423	0.2
105.03442	0.5
107.05041	0.6
108.02190	0.6
109.02948	7.2
110.03314	0.3
117.03471	1.6
119.05005	0.4
121.02969	1.0
122.03766	0.2
122.06067	0.2
123.04530	5.6
132.02185	1.7
133.02956	26.5
134.03799	2.3
135.04524	32.4
136.04822	0.9
137.02426	0.7
145.02951	1.2
146.03741	0.3
147.00880	0.3
147.04520	0.7
148.05289	0.9
149.02446	2.4
149.06071	1.6
150.03227	2.5
151.04031	1.3
159.04475	0.9
161.02441	100.0
162.02794	2.9
163.04057	0.7
173.02446	0.5
174.03166	0.7
175.04015	1.1
178.02702	0.8
179.03488	17.6
180.03815	0.7
183.04443	0.3
187.04005	2.5
197.04538	17.1
198.04942	0.3
199.07654	0.3
201.01910	0.8
209.06073	0.4
210.06726	0.2
211.07693	0.3
219.02951	0.3
223.02466	0.4
225.05481	0.3
227.03506	0.2
231.02962	0.5
237.05557	0.6
238.06264	0.4
239.07092	0.8
249.05450	0.7
250.06387	0.7
253.05135	0.6
254.05853	0.9
255.06599	3.8
263.03467	0.2
265.05081	0.6
266.05817	0.9
267.06628	5.7
268.07016	0.5
269.08176	0.6
271.09952	0.3
274.43353	0.2
277.05078	0.3
279.06461	0.4
281.04514	1.2
281.08224	0.9
283.06107	2.5
285.07758	0.5
290.77029	0.3
291.06451	0.3
293.04520	1.3
293.07791	0.5
295.06064	0.9
297.07800	1.4
307.06137	0.3
311.05597	9.8
312.05978	1.2
313.07208	0.6
315.08926	0.6
319.06207	0.2
323.05484	0.7
329.06622	5.8
330.06854	0.5
339.05188	0.4
341.06607	4.1
355.08380	0.4
358.06918	0.4
359.07703	32.0
360.08044	2.1
379.30994	0.3
399.07318	0.4
403.11914	0.6
405.08737	0.3
429.09882	1.1
447.10770	0.6
465.11862	2.3
473.08441	0.3
491.09756	7.4
492.10153	0.7
493.11041	0.5
495.13058	1.8
509.03210	0.5
509.10858	9.7
510.11185	0.9
513.86945	0.3
521.10883	2.6
539.12018	4.7
540.12616	0.4
627.15424	1.2
671.14075	2.7
701.15594	0.3
719.16125	26.0
720.16443	4.0
751.88086	0.3
809.53149	0.2
834.47076	0.2
851.18262	2.5
852.18097	0.3
938.90350	0.2
1031.22607	1.1
1032.23169	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	1030.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
83.63193	29.2
83.63789	34.0
116.92847	37.4
138.27231	31.6
172.32486	27.6
217.98309	35.6
223.94543	29.3
293.21182	100.0
294.21500	65.0
295.21832	41.7
323.65567	29.9
614.18811	34.5
618.77344	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	11.1
86.17338	0.4
89.02460	0.3
89.03960	0.3
91.05555	0.4
93.03465	0.4
98.19908	0.7
100.54338	0.3
102.98136	0.3
105.03442	0.4
107.05051	0.9
108.02187	0.7
109.02957	7.2
109.03657	0.5
112.62560	0.3
117.03466	1.1
119.05022	1.2
120.05348	0.4
121.02965	1.1
122.03773	0.3
123.04521	5.3
132.02176	2.3
133.01897	0.5
133.02957	28.3
134.03822	2.6
135.04527	39.6
136.04857	1.7
137.02483	0.3
145.02933	1.2
146.03654	0.4
147.04510	0.4
148.05339	0.4
149.02400	1.9
149.06073	2.2
150.03223	1.1
151.04016	0.8
159.04523	0.8
161.02443	100.0
161.05968	2.1
162.02768	3.2
163.03989	1.0
173.02435	0.4
174.03181	1.0
175.03922	1.0
178.02728	1.2
179.03499	21.1
180.03874	0.9
187.04015	2.7
189.01872	0.3
197.04549	18.0
198.04907	0.7
201.02010	0.4
202.02802	0.3
203.03490	0.5
221.06262	0.5
229.01392	0.9
231.02898	0.6
237.05522	0.8
238.06418	0.4
239.07037	0.5
241.05177	0.6
242.05771	0.9
243.06557	0.6
249.05577	0.5
250.06308	0.5
253.04967	0.5
254.05838	0.9
255.06538	2.7
256.06796	0.4
264.04321	0.4
265.05048	0.5
267.06607	4.0
268.07007	1.0
269.08148	0.8
271.09637	0.9
277.05026	0.7
281.04526	0.6
282.05106	0.5
283.06070	2.7
293.04568	0.9
295.06091	1.1
296.06644	0.6
297.07623	2.3
302.93036	0.3
311.05640	9.0
312.05890	0.8
313.07318	1.5
314.07834	1.0
315.08633	1.2
321.04132	0.5
323.05594	0.6
328.09265	0.4
329.06650	3.0
339.05118	0.5
341.06635	4.4
358.06812	0.5
359.07712	31.6
360.08063	1.9
403.11609	0.4
429.09628	0.8
473.08514	0.5
491.10077	3.2
493.11307	0.5
495.13272	2.3
496.13614	0.5
509.10828	5.3
510.10803	0.4
521.10876	2.5
538.11761	0.4
539.11993	5.6
540.12128	0.6
575.21204	0.4
627.15259	0.5
653.13007	0.9
671.13971	3.7
719.16132	21.9
720.16595	3.3
851.18280	3.7
852.19177	0.8
1031.22339	2.6
1032.22852	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	1027.585
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	23.8
72.97328	0.7
72.99307	3.2
73.02950	9.9
83.01386	5.3
85.02953	18.0
85.03439	1.2
85.32083	0.7
86.00080	1.3
87.00893	1.2
89.02438	2.3
91.28383	0.9
95.01401	3.6
97.26424	0.8
99.00874	4.0
101.02446	26.4
109.02961	7.0
112.72574	0.7
113.02449	13.8
119.05035	1.3
121.03003	1.7
122.06130	1.0
123.04559	2.4
129.01939	1.0
133.02956	5.0
134.03745	1.3
135.04539	7.9
143.03494	1.0
145.02945	2.1
147.04543	0.9
149.02382	2.2
150.03299	0.9
159.02968	2.9
159.04506	2.7
161.02460	14.7
161.04533	11.8
162.02838	1.4
163.04031	1.4
178.78169	0.7
179.03502	3.5
197.04515	1.9
203.03435	2.2
211.04015	1.2
213.05527	0.8
225.05536	1.3
227.07072	0.9
241.05081	1.9
243.06487	0.9
253.05112	1.6
254.05923	0.9
255.06786	1.4
267.03375	0.7
267.06488	2.7
269.04626	0.8
269.08191	2.2
271.06186	2.1
281.04443	1.5
283.06125	1.8
285.03992	1.7
291.18152	52.2
292.18521	2.2
293.04535	1.5
299.05606	1.1
311.05692	4.7
313.07211	3.9
333.19214	25.8
334.19547	2.0
337.03555	1.2
357.06219	4.0
377.18161	2.3
407.33224	1.0
423.32617	3.4
461.91537	0.9
469.33316	7.9
487.34299	100.0
488.34607	10.3
517.07977	1.1
541.09161	1.0
669.12250	1.4
703.13306	4.0
865.15106	4.1
980.36633	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	1023.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	100.0
72.99318	4.8
73.02949	34.6
75.00885	1.6
77.09922	1.4
83.01390	13.2
83.05045	4.1
84.20990	1.4
85.02957	35.4
85.03442	2.7
85.23849	1.3
87.00872	12.3
89.02447	42.4
95.01367	7.6
96.31763	1.5
97.02979	3.9
99.00865	7.9
101.02441	60.4
109.02982	1.6
111.00861	1.5
113.02448	44.2
119.03503	19.8
125.02482	4.1
129.01935	7.9
131.03488	4.3
133.03003	2.7
134.03697	1.5
135.04547	3.3
137.02475	1.6
143.03481	11.1
149.04562	7.6
151.00360	2.8
151.03947	3.1
153.05585	1.6
159.03020	1.9
159.04480	2.0
161.02429	4.6
161.04555	35.9
163.04118	1.6
166.02731	4.1
173.00906	2.8
179.05618	24.4
181.05057	2.2
190.28140	1.8
197.97847	1.3
202.58176	1.3
203.05608	16.8
209.15475	5.9
221.06625	2.4
248.04893	1.5
251.06903	1.4
252.04332	2.0
264.04193	1.6
265.05072	2.5
267.06561	2.9
269.04666	3.3
273.10623	1.4
279.06601	4.1
280.03937	2.4
280.07349	2.7
294.08997	6.4
295.06137	5.9
295.09686	3.6
309.07666	2.4
310.08463	11.3
311.09247	1.9
322.08331	2.3
324.09790	1.7
325.10852	9.9
326.11441	2.6
337.10806	1.9
355.11841	3.4
371.20731	24.6
385.12903	63.5
386.13269	4.7
403.14032	6.3
413.21805	47.2
414.21973	4.5
565.19543	14.1
566.19720	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	1023.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
83.62260	0.1
91.05525	0.2
93.03466	0.4
105.03482	0.2
107.05012	0.8
108.02212	0.2
109.02949	4.2
117.03465	0.3
119.05080	0.2
121.02972	0.8
132.02179	0.4
133.02957	6.9
134.03751	2.7
135.04523	91.8
136.04846	2.5
137.02396	0.2
139.04018	0.2
145.02950	1.1
149.02435	3.1
150.03242	1.6
159.04454	0.8
161.02438	18.4
162.02803	0.7
163.04030	0.5
173.02396	0.8
174.03191	1.3
174.23218	0.1
175.04036	0.2
179.03490	100.0
179.50510	0.2
180.03810	4.0
183.08087	0.3
189.01956	0.2
193.06566	0.3
196.05243	0.4
197.06076	0.3
201.01918	0.7
202.02562	0.3
209.06085	0.5
211.07593	1.2
221.06056	0.7
222.06705	0.4
223.07675	0.2
224.04865	0.3
227.07208	0.2
237.05502	0.9
238.06345	0.7
239.07097	1.5
249.05482	0.8
250.06314	2.4
254.05798	0.5
255.06624	1.0
265.05145	0.9
266.05820	1.3
267.06607	32.8
268.06992	2.3
272.93887	0.2
282.05490	0.2
283.06110	5.2
284.06473	0.3
297.07809	0.4
311.05600	49.5
312.05960	3.2
313.07108	1.0
329.06458	0.3
341.06635	3.8
342.07162	0.4
447.10803	3.6
448.10843	0.3
482.58075	0.2
487.25461	0.2
491.09818	15.5
492.10257	1.6
531.29614	4.6
532.29779	0.5
619.63879	0.2
861.39703	0.2
978.11877	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	1019.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83897	3.2
71.01404	1.2
93.03438	1.2
107.27752	1.4
116.92840	1.6
132.02167	7.8
133.02959	48.8
134.03281	1.7
135.04524	1.5
146.03714	10.0
147.04507	1.4
149.02423	6.3
150.03270	6.1
159.04510	3.5
160.05334	1.6
161.02444	66.5
162.02846	2.1
172.05310	2.3
173.06062	1.5
174.03218	24.3
174.06898	1.6
175.04036	5.9
175.27258	1.1
179.03467	1.5
187.04025	1.4
188.04739	2.8
197.06210	1.3
200.04784	7.5
201.05447	1.5
218.05704	2.4
237.76505	1.1
243.13873	2.2
255.11322	1.0
255.13815	7.0
269.11890	1.8
271.13370	17.3
272.13519	1.5
277.21747	6.6
289.14426	3.8
297.14899	1.5
299.12878	23.4
313.14401	1.7
317.13928	8.8
325.14459	12.6
334.63776	1.6
343.15518	22.5
344.16055	1.4
461.19757	1.3
505.19052	2.2
553.23077	1.3
579.24243	1.9
597.24902	5.6
769.00757	1.5
813.44318	5.0
814.45099	1.6
815.45685	2.1
839.45868	6.6
840.45972	1.6
857.46844	100.0
858.47528	21.0
975.49835	2.3
1019.50153	11.0
1020.50409	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	1014.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20661	100.0
179.68761	29.2
405.08630	29.5
512.92493	30.2
537.13977	33.9
732.36719	34.5
919.35730	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	1018.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03963	0.7
93.03455	0.6
95.70978	0.2
105.03487	0.3
106.04342	0.3
107.05013	1.0
109.02953	4.1
110.12476	0.3
117.03465	12.4
118.03740	0.3
119.05022	8.8
121.02941	1.0
122.06084	0.3
132.02142	0.3
133.02948	7.7
134.03766	2.5
134.54976	0.3
135.04518	88.1
136.04858	2.8
145.02945	34.2
146.03230	1.4
149.02448	3.5
150.03233	2.0
152.07124	0.4
159.04416	0.5
161.02437	18.3
162.02774	0.8
163.04001	12.3
173.02448	0.7
174.03226	1.2
175.03899	0.3
179.03487	100.0
180.03813	3.8
193.06610	0.4
197.06070	0.5
201.01939	0.4
202.02670	0.4
209.06033	0.5
211.07660	1.2
221.06079	0.7
222.06657	0.3
237.05553	0.5
238.06386	0.8
239.07108	1.5
249.05614	0.6
250.06319	2.0
254.05716	0.4
255.06535	1.0
258.46783	0.3
265.05084	0.6
266.05826	1.1
267.06604	34.9
268.06927	2.2
269.08231	0.3
283.06113	4.9
284.06531	0.3
297.07629	0.3
311.05591	42.4
312.05984	3.0
313.07141	0.8
341.06592	3.0
349.09213	0.4
379.77911	0.3
422.12213	0.4
447.10846	2.4
453.34033	0.3
482.14511	19.8
483.14792	1.4
491.09802	4.4
492.09900	0.5
531.29407	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	1011.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
70.94248	7.5
71.01388	13.3
72.99319	2.8
77.43336	2.2
77.47262	2.5
85.02946	5.1
87.00893	3.4
89.02440	7.3
101.02457	12.7
110.33315	2.0
113.02471	6.2
115.12476	2.1
125.02430	7.3
153.54289	2.4
161.04564	3.8
179.05554	3.4
195.13870	5.9
223.13283	2.8
235.08220	5.5
235.17007	4.3
275.20074	11.1
277.21707	41.8
287.07462	2.9
293.21207	100.0
294.21573	6.5
379.12390	5.0
397.13483	46.6
415.14667	15.6
434.99701	2.2
608.70367	2.7
675.36591	2.7
691.35706	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	1007.6831
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05002	0.2
72.99303	0.3
94.27853	0.1
96.95984	0.1
98.20669	0.2
119.08659	0.2
120.94251	0.1
133.02943	0.3
135.04544	0.6
140.70126	0.1
161.02449	0.7
162.02841	0.1
179.03548	0.2
191.14355	0.2
197.04492	0.2
222.27718	0.1
311.05637	0.1
345.57144	0.1
355.26196	0.1
357.25992	0.8
359.27338	0.3
373.25171	0.3
373.29257	0.6
375.26776	0.2
377.28625	0.2
379.30054	0.2
389.28549	1.7
390.28799	0.2
391.25769	0.2
391.30396	0.8
393.31738	0.5
403.30203	0.2
407.29541	3.8
408.29980	0.4
409.31104	1.1
419.29675	0.5
421.31290	0.2
423.32712	0.4
425.30383	0.5
427.32114	0.2
435.29108	0.2
437.30539	0.3
439.32199	0.4
441.33807	1.1
441.85724	0.1
451.28482	0.2
453.30011	0.6
457.33234	2.5
458.33612	0.4
459.34869	0.3
467.31653	0.2
469.29495	0.3
473.32806	0.7
483.30896	0.2
485.32712	7.1
486.33255	0.8
502.31628	0.2
503.33762	100.0
504.34109	11.2
787.86652	0.1
801.36139	0.1
889.81256	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	1007.6829
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99203	0.2
69.99618	0.4
71.05021	0.1
72.82565	0.1
73.02905	0.1
73.55405	0.1
78.53181	0.1
95.95686	0.1
115.33033	0.1
133.02968	0.2
135.04536	0.3
137.02396	0.1
161.02425	0.4
179.03433	0.2
258.18814	0.1
329.21637	0.1
359.27124	0.1
377.28366	0.2
379.30011	0.4
381.91425	0.1
387.26935	0.2
389.28418	0.4
391.30109	0.4
393.31631	0.3
401.28552	0.7
403.30008	0.3
407.29584	1.1
409.31348	1.5
410.31354	0.1
411.32568	0.2
417.27936	0.4
419.29623	0.7
421.31076	2.6
422.31714	0.4
425.30725	0.9
435.29218	0.2
439.32040	0.7
440.32724	0.3
441.33771	5.7
442.34186	0.8
453.29950	1.0
455.31836	0.3
457.33279	2.8
458.33423	0.4
459.34460	0.2
473.32693	2.2
485.32721	4.6
486.32883	0.4
487.34256	0.3
503.33783	100.0
504.34131	11.2
677.42029	0.1
726.19183	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	1007.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00986	0.8
71.01383	16.4
72.99308	11.2
73.02945	1.9
75.00875	7.5
81.62640	0.5
83.01388	2.6
85.02954	16.0
86.93591	0.3
87.00874	3.8
89.01955	0.3
89.02442	2.4
95.01379	4.0
99.00884	6.1
101.02416	2.9
103.00368	4.9
107.01381	0.6
111.00890	0.5
113.02450	25.0
115.00417	2.2
115.14288	0.4
117.01955	1.5
117.03512	1.7
117.95074	0.4
129.01952	0.9
131.03517	2.2
133.01468	0.9
149.02431	0.5
151.00366	0.6
157.01395	0.9
175.02486	5.4
193.01753	0.7
193.03526	12.2
203.34753	0.4
225.05542	0.7
235.04501	0.9
251.08331	0.4
269.04544	22.2
270.04874	1.2
289.05594	1.9
307.06680	0.5
311.05627	0.7
333.04663	1.5
351.05667	100.0
352.06000	4.7
363.13016	0.4
487.08807	0.8
547.44098	0.4
621.10962	20.0
622.11267	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	1007.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
70.49525	1.2
71.01385	14.6
72.99313	12.1
73.02943	2.5
75.00876	6.9
82.64204	0.4
83.01382	2.6
85.02955	16.4
87.00877	3.7
89.02434	2.4
89.27744	0.4
89.67142	0.3
95.01392	4.1
97.02970	0.6
99.00892	5.8
101.02424	2.4
103.00372	3.7
107.01425	0.4
109.02901	0.4
111.00887	0.5
113.02454	23.2
115.00401	2.0
117.01929	1.1
117.03476	1.4
129.01949	1.6
130.69945	0.4
131.03510	1.3
133.01450	0.6
146.45773	0.4
149.02455	0.6
151.00366	0.4
157.01413	1.1
160.16718	0.4
163.02533	0.5
175.02469	5.4
193.03526	11.7
194.03873	0.4
209.14822	0.4
223.89078	0.4
229.10599	0.4
235.04552	0.5
236.28674	0.4
237.99110	0.3
238.45070	0.3
268.03793	0.3
269.04544	21.5
270.04889	1.2
271.85696	0.4
289.05692	1.8
307.06699	0.5
311.05731	0.7
333.04620	1.6
351.05673	100.0
352.05994	5.0
487.08792	1.1
621.10962	21.3
622.11151	3.0
871.38031	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	1003.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67998	29.0
69.68399	53.1
71.01434	11.4
77.43682	14.8
84.92966	14.1
88.05887	15.1
89.02436	27.6
101.02457	16.2
113.02454	16.9
204.47334	13.8
233.78531	13.4
236.10281	13.8
277.21671	45.1
291.19574	30.4
309.20648	100.0
397.13629	70.7
546.75031	18.3
839.96246	16.4
846.70532	19.6
1003.53174	64.0
1004.54596	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	1004.6598
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	4.0
92.04557	0.1
117.23505	0.1
152.99585	0.9
168.04315	0.7
179.03421	0.2
224.06920	1.6
234.48338	0.1
242.07947	0.4
277.21719	16.8
278.22034	0.9
473.15323	0.1
487.34280	100.0
488.34641	10.2
502.29404	37.9
503.29834	3.2
945.58539	0.6
1004.66040	1.8
1005.65967	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	1001.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37481	0.6
70.85090	0.2
71.01400	0.3
73.02933	0.8
79.46454	0.2
79.69476	0.2
83.93071	0.2
98.60444	0.2
99.92587	17.6
100.92583	0.6
114.93429	0.6
116.92861	100.0
117.01928	1.3
117.92873	3.7
118.92670	0.2
146.28651	0.2
182.17508	0.2
196.91797	0.2
209.11804	0.4
213.33604	0.2
256.57681	0.2
277.21689	0.4
397.13525	0.6
453.83063	0.2
611.04480	0.2
856.93500	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	1001.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	7.5
71.18387	0.8
72.99310	0.7
73.02936	1.2
81.03456	0.7
83.01376	0.8
85.02952	7.2
87.00872	1.9
87.75562	0.5
89.02448	6.5
95.01414	1.2
95.27975	0.4
96.71384	0.4
97.02965	1.5
97.06586	1.5
98.20397	0.6
99.00902	0.5
101.02446	6.8
109.02946	0.7
113.02464	3.8
119.03491	1.8
121.67871	0.5
125.02449	2.5
125.09714	1.4
127.11306	1.2
133.02937	0.9
135.04579	0.5
137.02487	0.5
137.09721	2.2
143.03549	0.9
149.02457	0.6
150.03151	0.6
155.10756	0.7
161.02454	1.9
161.04483	1.4
165.12804	0.6
167.10692	0.6
171.10274	24.3
172.10635	0.8
177.12782	0.6
179.05565	3.8
179.14467	0.6
183.13887	2.4
195.13826	2.8
201.11235	0.9
209.11827	1.4
211.13402	10.7
221.06671	1.5
221.11821	1.6
223.13341	2.6
229.14435	8.7
235.08209	2.6
239.12929	1.7
253.09273	0.7
256.13098	0.8
256.40311	0.5
275.20163	2.1
287.07758	1.0
291.19681	4.1
293.21228	41.6
294.21487	2.9
305.08655	1.2
309.20728	9.4
310.21042	0.7
327.21765	100.0
328.22134	8.3
397.13513	17.0
398.13950	1.1
415.14542	18.1
416.15030	1.5
468.16852	0.5
603.42841	3.7
604.42957	1.0
653.89075	0.5
691.35370	2.0
707.34845	7.0
708.35370	1.3
725.35931	7.9
726.36731	1.4
1001.56848	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	1000.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39133	38.4
69.98888	100.0
69.99268	93.9
87.74164	42.0
114.31750	39.4
136.63779	36.4
226.78745	38.9
231.90361	40.0
244.04395	40.5
302.41238	46.6
352.34079	43.2
406.82190	40.0
437.79590	46.7
509.13846	39.1
908.91901	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37481	0.6
70.85090	0.2
71.01400	0.3
73.02933	0.8
79.46454	0.2
79.69476	0.2
83.93071	0.2
98.60444	0.2
99.92587	17.6
100.92583	0.6
114.93429	0.6
116.92861	100.0
117.01928	1.3
117.92873	3.7
118.92670	0.2
146.28651	0.2
182.17508	0.2
196.91797	0.2
209.11804	0.4
213.33604	0.2
256.57681	0.2
277.21689	0.4
397.13525	0.6
453.83063	0.2
611.04480	0.2
856.93500	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	991.56
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.5
69.07079	1.0
70.11362	0.7
70.11749	0.6
71.05001	0.4
73.02922	2.8
79.05492	1.9
81.03434	1.0
81.07066	2.3
83.08606	0.4
85.02908	4.3
87.04505	0.4
91.03957	2.6
91.05502	1.5
93.07058	1.8
95.04985	0.3
95.08627	2.1
97.02899	4.0
99.04479	0.5
101.02372	1.7
103.03985	0.2
105.07067	0.9
106.11843	0.2
106.86024	0.3
107.08643	1.1
109.02909	0.6
109.10198	0.8
115.03976	0.4
119.08638	0.9
121.10186	0.7
127.03896	1.4
128.46875	0.3
131.08623	0.5
133.10167	0.4
135.11707	0.4
145.05038	0.3
147.11786	0.4
149.13339	0.3
185.04297	0.7
201.03716	0.4
203.05362	0.5
243.08362	1.6
259.07690	0.2
293.96793	0.2
305.08755	0.3
330.64978	0.3
333.20334	1.8
335.25858	0.7
347.09418	2.0
363.09079	0.6
365.10788	1.0
389.23132	0.4
405.13632	5.3
405.18491	0.3
439.19632	0.4
453.20935	0.3
469.09900	0.3
519.29517	4.4
551.28204	2.3
595.11700	0.3
681.34589	5.0
689.09601	0.3
705.41406	0.3
713.33716	2.2
794.79956	0.3
829.50946	1.0
973.70813	0.3
991.56030	100.0
992.56500	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	991.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.9
69.07074	0.9
70.51385	0.2
70.76246	0.3
71.01368	0.4
71.05010	0.3
73.02917	2.8
79.05491	2.0
81.03419	1.0
81.07055	2.1
83.01309	0.1
83.04994	0.3
83.08635	0.2
85.02907	3.7
87.04481	0.3
91.03952	2.3
91.05473	1.2
93.07043	2.0
95.04972	0.5
95.08614	1.8
97.02899	4.1
97.03509	0.2
97.06522	0.3
97.10232	0.2
99.04467	0.5
101.02381	1.8
103.03927	0.2
103.08761	0.2
103.91900	0.1
105.07031	0.9
107.08607	1.1
109.02893	0.7
109.06471	0.2
109.10146	0.9
115.03960	0.4
117.07037	0.4
119.08606	0.6
121.06608	0.1
121.10155	0.9
123.11732	0.3
127.03909	1.3
129.07053	0.2
131.08577	0.6
133.10172	0.4
135.11723	0.4
145.04979	0.3
145.10190	0.2
147.11752	0.3
149.13263	0.2
159.11758	0.2
161.13324	0.2
179.14444	0.2
185.04224	0.6
201.03831	0.2
203.05331	0.7
212.22766	0.1
243.08427	2.0
259.08014	0.2
261.22092	0.2
333.20395	1.7
335.25818	0.4
338.07611	0.2
347.09479	2.0
363.09244	0.7
365.10422	0.8
389.22980	0.2
405.13693	5.1
421.13263	0.2
439.19760	0.2
446.59015	0.2
453.21118	0.4
493.24365	0.2
519.29315	4.7
551.28412	3.0
559.45996	0.2
608.64093	0.2
681.34509	6.0
682.35309	0.2
713.33575	2.3
829.50769	0.8
991.56024	100.0
992.56323	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	986.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	2.2
69.07074	9.3
69.91106	1.7
69.91452	4.9
71.04965	1.2
73.02912	1.5
79.05062	1.8
79.05500	31.9
81.03419	1.6
81.07062	32.7
83.04989	2.8
83.08620	5.8
85.02902	8.7
85.06539	2.1
91.03962	6.1
91.05485	36.8
93.07047	34.3
95.04963	3.5
95.08610	25.2
97.02901	5.0
97.06525	4.1
97.10178	2.9
99.04465	1.2
99.08104	1.2
103.05491	1.3
105.04507	1.5
105.07039	33.2
107.04977	1.6
107.08598	17.5
109.06496	1.4
109.10168	10.1
110.09670	2.4
111.08109	1.4
112.11258	1.1
113.74361	0.9
115.05447	2.6
116.06207	1.3
117.07031	16.3
119.08584	26.3
121.10153	13.2
123.08050	2.1
123.11710	2.8
125.09593	1.1
127.03912	2.3
128.06224	2.1
129.07016	10.2
130.07753	1.5
131.08572	21.5
133.08640	1.0
133.10135	19.9
135.08014	1.2
135.11705	9.9
137.09648	1.1
137.13225	0.9
138.09180	1.3
141.06973	4.7
142.07803	1.9
143.08572	15.4
145.04961	1.6
145.06493	1.0
145.10129	22.2
147.11693	11.0
149.13272	4.1
155.08562	8.5
156.09355	1.3
157.10152	14.5
159.11719	13.6
161.09666	1.2
161.13245	7.5
163.03883	3.8
163.05968	2.4
163.11269	1.7
167.08563	3.1
169.10144	10.9
169.30600	1.0
171.11700	14.5
173.09700	1.0
173.13298	8.9
175.14822	4.1
179.08562	1.8
181.10132	6.6
183.11707	10.0
185.13255	7.7
187.14821	3.1
189.16501	1.5
193.10114	1.8
195.11699	5.9
197.13234	9.8
199.14859	4.9
201.12733	1.1
201.16394	2.8
207.11766	2.2
209.13283	4.7
211.14819	4.4
213.12837	1.5
213.16443	3.8
215.17960	1.2
221.13297	3.0
223.14885	4.8
225.16380	4.5
227.18013	1.8
229.19534	1.5
235.14870	1.6
237.16385	2.3
239.17905	2.8
241.19514	1.5
245.43196	1.1
251.17967	2.3
257.19083	4.9
259.20612	3.8
261.22055	1.3
283.20572	1.3
294.18323	1.1
301.21619	1.1
309.22116	2.2
313.21597	1.6
315.23151	1.3
323.23514	1.3
325.25479	1.3
333.24292	2.9
335.25763	3.5
339.27286	1.2
351.26779	1.7
353.24820	1.4
355.41525	1.0
407.29398	1.6
433.31070	1.6
447.32251	2.5
487.34286	1.8
499.39749	1.7
501.35364	2.7
513.36237	1.7
515.37585	1.2
517.40314	10.4
527.37189	1.5
528.14667	1.0
535.41730	4.6
539.37170	2.6
541.38812	1.1
591.44067	10.1
609.45142	100.0
610.45465	5.2
651.45374	1.6
693.46478	1.4
717.46954	1.9
735.47699	1.4
753.49207	1.8
771.50092	6.8
986.55890	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	986.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80908	2.4
69.03423	9.5
69.07075	19.8
71.04991	4.3
71.08606	2.5
73.02921	3.6
79.05499	71.7
81.03423	11.4
81.07061	89.1
83.05001	13.7
83.08617	12.8
85.02904	24.5
85.06536	3.1
91.03949	10.2
91.05479	73.2
93.06466	4.8
93.07050	86.5
95.04977	11.1
95.08041	4.5
95.08611	58.9
97.02885	15.2
97.06528	7.7
97.10167	5.3
99.08104	4.5
105.07037	59.8
105.07751	3.2
107.04965	5.2
107.08602	38.9
109.02888	2.5
109.06535	6.7
109.10155	23.0
111.04443	4.0
111.08064	4.0
115.05426	2.5
117.07021	22.9
119.08595	41.2
119.10510	2.3
121.10141	33.4
123.08077	5.5
123.11705	6.3
123.40256	2.2
125.09647	3.9
127.03925	10.9
128.06215	3.4
129.05475	6.3
129.06995	6.5
131.08583	31.0
133.10150	33.9
135.08076	2.7
135.11708	20.4
137.09621	3.9
143.08618	10.6
145.04965	6.4
145.10153	28.3
147.11699	27.4
149.09599	5.4
149.13286	14.1
155.08551	3.7
157.10143	9.5
159.11711	20.7
161.13290	16.1
163.06041	5.0
163.11205	3.0
163.14915	5.6
169.10118	6.3
171.11713	10.1
173.13278	12.1
175.14836	5.2
183.11780	3.3
185.13258	9.2
187.14902	3.7
197.13023	3.0
199.14777	3.9
201.16356	3.1
231.21121	2.9
241.19614	11.2
243.21025	3.5
257.19009	8.0
259.20609	22.3
261.22064	11.2
269.17389	3.7
275.20135	12.3
275.22699	2.5
293.21133	12.5
315.23517	3.6
317.24881	3.4
331.22842	2.9
333.24222	22.3
335.25830	100.0
336.26105	3.1
337.27164	6.7
349.23795	7.1
365.23068	3.2
367.25049	3.0
489.35538	2.9
518.68805	2.6
519.42285	4.7
529.39081	25.5
545.38477	3.4
569.41821	9.7
593.45630	5.0
597.79987	2.5
609.44806	9.5
611.46783	35.4
627.46436	15.9
749.47455	2.6
986.56134	2.6
999.26514	2.9
1012.38715	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	984.5901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	6.2
69.06719	1.4
69.07074	18.8
69.57610	5.2
71.04979	1.3
73.02889	0.9
77.03910	1.1
79.05056	1.7
79.05502	30.1
81.03437	4.7
81.07066	35.8
83.04979	3.5
83.08633	7.0
85.02909	3.1
85.06560	1.4
91.03989	1.6
91.05494	23.1
93.07054	32.4
95.04993	6.8
95.08043	1.8
95.08617	25.5
97.02914	7.3
97.06534	3.0
97.10181	9.0
105.03380	1.1
105.07042	14.7
107.04974	4.6
107.08609	16.7
109.02853	1.0
109.06503	2.5
109.10167	10.6
111.08085	2.7
116.66908	0.9
117.07034	8.0
119.08593	12.8
121.06510	1.9
121.10153	12.3
123.08087	3.3
123.11720	2.5
125.09644	5.8
126.58228	0.8
129.07033	2.7
131.08601	9.9
133.06500	1.4
133.10164	5.9
135.08066	2.7
135.11713	7.6
137.09554	2.3
142.07736	1.1
143.08604	3.3
145.10136	7.1
147.08087	5.2
147.11736	4.6
149.09578	1.4
149.13266	4.5
151.11116	1.0
157.10167	2.5
159.11719	4.1
161.09657	1.4
161.13222	1.5
162.10323	0.9
165.09114	1.2
171.11681	1.9
173.13283	1.8
175.11287	2.5
189.11230	3.0
193.12248	1.5
205.12175	1.8
205.56375	0.9
223.13338	11.2
227.12764	1.7
243.21051	1.8
245.18883	1.0
249.14890	2.0
259.20676	1.0
261.22180	7.0
263.20059	1.0
273.18536	9.9
291.19580	73.4
292.19858	2.2
309.20831	1.6
317.24802	3.4
322.80280	1.2
335.25827	70.3
336.26337	1.4
347.22150	1.4
365.23273	40.6
366.23550	1.2
527.37335	2.2
545.38385	5.0
607.43353	2.5
625.44684	100.0
626.44824	3.6
775.75989	1.2
967.00476	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	984.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	7.5
69.06705	2.5
69.07069	22.4
71.05000	1.7
71.59031	2.0
72.59768	1.2
73.02917	1.5
79.05496	36.9
81.03429	5.4
81.07060	36.6
83.04980	5.5
83.08624	8.7
85.02909	6.2
91.03992	2.2
91.05481	26.6
93.07055	33.2
95.04959	7.3
95.08611	29.3
97.02901	10.5
97.06516	3.2
97.10178	10.4
103.05472	1.9
105.07034	17.4
107.04942	5.6
107.08603	20.0
109.06533	2.9
109.10168	13.9
117.07027	10.2
119.04929	1.4
119.08591	16.1
121.06517	4.0
121.10150	10.3
123.08070	3.0
123.11684	2.3
125.09619	9.7
127.03945	1.8
128.06195	1.7
129.07007	3.6
130.07796	1.7
131.08571	13.7
133.06508	2.1
133.10101	7.6
135.08046	2.7
135.11702	5.4
137.09639	2.5
143.08566	2.8
145.10172	7.5
146.01741	1.3
147.08040	6.4
147.11707	6.2
149.09563	2.8
149.13260	4.4
157.10098	2.0
159.11713	6.0
161.09593	3.1
163.06090	1.8
163.11263	2.0
169.10085	2.3
171.11729	1.5
173.13289	3.2
175.11224	2.8
189.11246	4.5
193.12364	1.4
195.13777	1.4
199.14784	1.5
205.08745	1.4
223.13303	19.6
227.12782	5.1
243.21068	2.2
249.14868	2.3
261.22235	7.9
273.18509	15.2
291.19559	100.0
292.19980	2.3
317.25009	3.3
335.25815	70.7
336.26086	3.7
347.22174	3.1
365.23245	66.0
366.23776	1.9
408.00369	1.6
545.38214	4.9
607.42999	3.5
625.44653	82.7
626.44794	4.9
746.75000	1.5
797.76630	1.6
997.07935	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	984.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	19.2
71.59475	2.8
79.05495	32.9
81.03421	6.5
81.07059	40.6
83.04983	3.6
83.08613	6.1
85.06538	2.4
89.03925	2.2
91.05486	55.6
93.07044	35.3
95.01334	7.1
95.04971	7.1
95.08617	23.1
97.06544	16.1
103.05481	3.1
105.07037	70.5
107.04961	11.6
107.08598	19.2
109.06551	3.1
109.10162	8.8
111.08057	2.4
115.05464	2.5
117.07013	14.9
119.08589	43.9
121.06471	2.1
121.10166	11.0
123.04387	2.3
123.08055	3.4
125.09675	2.9
129.07019	7.9
131.08562	21.0
133.10130	37.7
135.04463	4.0
135.11682	10.5
143.08556	6.1
145.06490	2.1
145.10120	15.2
147.11681	20.0
149.09662	4.4
149.13295	5.8
151.11197	1.6
155.08583	2.4
157.10107	7.1
159.11682	13.2
161.13264	10.4
163.03928	16.5
163.11182	2.6
163.14870	2.2
164.04234	3.2
165.09097	1.8
169.10114	2.3
171.11681	5.8
173.13240	5.8
175.14795	5.3
177.12772	2.7
179.14325	7.1
185.13248	3.2
187.11244	2.4
187.14825	2.5
189.12663	1.8
189.77264	1.4
190.46872	1.6
197.13249	1.5
198.13263	1.6
199.14764	2.0
201.16481	1.6
231.20920	2.0
239.17982	2.7
241.19493	15.0
243.21255	1.6
257.19034	6.1
259.20602	23.3
275.20074	45.4
293.21170	2.0
315.23245	10.1
333.24265	46.5
335.25812	1.9
349.23724	43.6
350.24414	1.4
454.23175	1.7
607.43573	100.0
608.43658	4.5
625.44720	17.0
715.46234	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	975.565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	2.1
69.07085	0.5
70.84463	1.0
73.02922	2.7
79.05514	2.0
80.25229	0.4
81.03442	0.9
81.07057	2.5
83.08635	0.5
85.02910	4.2
91.03947	2.7
91.05489	1.8
93.07038	2.3
95.08625	1.2
97.02892	4.5
99.04463	0.8
101.02374	1.0
105.07048	0.7
107.08604	1.1
109.02898	1.0
109.10198	0.5
117.07040	0.5
119.08622	1.0
121.10155	1.0
127.03938	1.1
133.10149	0.7
135.11728	0.4
135.47957	0.4
163.03815	0.4
185.04276	1.1
185.63947	0.4
203.05429	1.2
208.33368	0.4
232.05833	0.4
243.08533	1.8
259.07703	0.4
288.63171	0.4
347.09488	2.8
363.09158	0.9
365.10706	1.0
378.84213	0.4
386.34756	0.4
387.74008	0.5
405.13611	4.9
443.51639	0.4
444.38705	0.4
463.14368	0.5
477.16183	0.6
477.68564	0.4
519.29340	3.7
533.21716	0.5
535.16199	0.5
535.28815	1.7
681.34503	6.5
697.34241	2.3
747.07147	0.5
813.50793	0.6
975.56488	100.0
976.56702	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	970.6116
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28449	1.2
69.03439	4.8
69.07072	16.6
69.94341	2.6
69.94751	4.9
70.87184	1.1
71.04996	4.2
73.02929	5.9
75.45135	1.1
77.03929	2.2
79.05497	52.4
81.03421	2.8
81.07060	68.5
83.05006	2.6
83.08606	8.1
85.02899	10.7
85.06561	3.0
91.03970	5.1
91.04900	1.4
91.05485	41.0
93.07050	64.1
95.04994	7.3
95.08614	51.6
95.09234	1.9
97.02892	10.2
97.06557	5.1
97.10186	3.8
99.08098	1.9
105.04530	1.8
105.07040	37.5
107.08598	35.7
107.09277	2.3
109.06550	3.0
109.10161	26.0
111.08072	2.9
112.34876	1.2
113.09724	1.3
117.07032	15.7
119.08591	32.1
121.10149	27.5
123.08105	3.6
123.11732	4.4
125.09662	1.9
127.03964	2.0
128.06209	1.3
129.06972	7.0
130.07809	1.5
131.08571	23.0
131.09502	1.4
133.10139	22.1
135.08168	1.6
135.11699	18.9
137.09589	1.3
137.13184	2.1
139.11134	1.3
141.06969	1.5
143.08582	6.4
145.05022	3.0
145.10127	15.4
147.11696	18.9
149.09717	1.8
149.13280	8.0
151.11211	2.1
155.08653	1.8
157.10190	3.9
159.11707	15.8
161.13263	12.7
163.06055	3.1
163.11163	1.2
163.14856	2.9
165.12830	1.3
169.10106	3.3
171.11758	5.3
173.11964	1.6
173.13272	7.4
175.14915	4.4
177.12819	2.8
179.14400	2.0
183.11671	2.2
185.13312	5.3
187.14845	6.7
193.74611	1.3
195.13969	1.5
197.13361	2.3
199.14925	2.6
201.16589	1.6
203.17851	1.3
205.16008	2.7
217.16083	1.2
239.18115	1.4
241.19630	8.5
243.21284	2.9
257.19128	2.4
259.20605	20.6
261.22070	6.8
277.21606	17.5
293.21497	1.7
295.22940	1.3
315.23483	2.6
317.25021	3.3
333.24271	16.4
335.25815	100.0
336.26212	2.1
337.27246	1.8
351.25351	36.7
351.29562	2.2
471.87436	1.4
489.36139	1.7
519.41962	2.1
529.39154	5.2
571.43713	1.7
593.46094	3.8
611.46667	53.1
612.46942	3.4
629.48114	1.9
677.72192	1.3
714.34308	3.0
970.57843	45.0
971.59430	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	970.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	3.9
69.07073	23.9
71.04988	3.8
73.02924	6.2
79.05499	85.5
81.03410	3.4
81.07063	88.9
83.04980	5.3
83.08631	14.0
85.02901	20.8
85.06537	2.7
91.03964	15.0
91.05487	88.6
93.07051	95.9
95.04982	10.6
95.08617	69.6
95.09229	3.4
97.02908	10.5
97.06522	5.1
97.10158	4.2
97.60332	1.6
98.21489	4.5
99.01734	1.8
99.08109	2.8
105.04517	2.3
105.07038	71.8
107.04961	2.1
107.08601	50.7
109.06536	3.5
109.10172	26.8
111.08113	2.6
115.05483	2.6
117.07031	28.0
118.07784	1.9
119.08593	57.9
121.10156	43.5
123.08076	4.5
123.11711	7.9
125.09665	2.7
127.03983	4.0
128.06206	1.7
129.06993	14.5
130.07782	2.4
131.07587	2.5
131.08578	42.5
133.10141	48.3
135.11705	32.8
137.13231	2.1
141.06995	2.1
142.07860	1.9
143.08569	13.3
145.04977	7.1
145.10136	33.8
147.11696	48.7
149.09618	2.9
149.13286	15.3
155.08606	2.8
157.10138	12.8
159.11697	27.2
161.13281	24.2
163.06038	7.8
163.11397	1.9
163.14824	7.0
169.10114	3.2
171.11703	15.3
173.13237	21.3
175.13499	1.8
175.14763	11.2
177.12762	2.3
181.10159	2.2
183.11682	4.1
185.13304	12.9
187.14853	7.7
189.12781	3.2
189.16402	2.6
191.14252	2.2
197.13261	5.1
199.14803	8.3
201.12572	2.2
201.16495	3.0
209.13361	2.0
213.16460	4.4
229.19574	1.7
229.28383	2.0
231.21156	5.3
239.17987	3.7
241.19571	23.3
243.21141	5.5
257.19055	8.5
259.20599	66.5
261.22183	14.3
295.22821	1.9
297.22290	2.9
301.21799	2.0
315.23279	4.7
331.22705	3.7
333.24280	56.7
335.25839	100.0
336.26093	3.4
337.27322	7.7
339.27002	1.8
349.23987	2.0
351.25259	3.4
385.23676	2.3
450.02899	2.1
473.51129	1.9
519.41754	5.6
541.38751	2.9
593.45728	19.4
611.46741	84.2
612.46912	7.3
623.46478	2.4
685.78662	2.0
701.47437	4.9
712.84778	2.1
719.48676	3.4
737.49298	4.5
755.50134	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	968.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	26.8
69.03455	0.7
69.07072	9.3
70.78891	2.0
71.04991	1.2
79.05496	24.4
79.05962	1.5
81.03429	1.9
81.07060	37.5
83.04979	2.1
83.08614	2.4
85.02905	0.9
85.06544	1.5
91.03965	1.0
91.05486	23.1
93.07048	26.9
95.01315	1.5
95.04975	4.0
95.08613	21.8
97.02922	1.0
97.06521	5.4
97.10198	2.3
98.21458	0.8
99.04469	1.1
99.08053	1.1
103.05502	1.3
105.04539	1.2
105.07034	23.9
107.04974	5.3
107.08601	13.4
109.06540	5.4
109.10173	9.0
111.08070	0.9
117.07022	7.9
119.08585	15.3
120.77619	0.6
121.06512	1.2
121.10142	9.9
123.08092	2.0
123.11702	2.9
129.07025	1.9
131.08586	12.4
133.10139	14.9
135.08099	1.1
135.11700	5.9
137.09625	2.2
141.06972	0.9
143.08600	2.1
145.10123	10.0
147.11694	7.1
149.09636	2.6
149.13292	2.3
151.11191	1.3
157.10112	1.4
159.11711	4.7
161.13263	3.1
163.11229	1.3
163.14836	1.1
173.13275	2.1
175.14836	1.1
178.79546	0.7
179.14334	2.0
183.11646	1.4
185.13312	1.4
186.23351	0.8
187.14851	1.0
201.16452	2.0
202.78081	0.6
203.14267	1.0
214.08142	0.7
219.17455	46.5
220.17810	0.9
221.70152	0.7
239.18025	0.9
257.19043	1.9
275.20071	18.4
293.21213	1.8
335.25821	65.8
336.26099	1.3
349.23749	15.3
549.70947	0.7
609.45160	100.0
610.45435	6.0
627.46039	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	964.6215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	50.8
67.93553	1.1
68.95769	1.0
69.03445	7.3
69.06717	1.9
69.07072	20.6
71.04996	4.2
71.08639	24.7
71.20409	2.3
73.02910	2.2
79.05052	2.0
79.05496	31.9
81.03423	9.7
81.07060	59.0
83.04993	8.0
83.08623	19.3
85.02908	11.7
85.06540	4.6
85.10191	14.8
89.06030	2.6
91.03976	5.4
91.04955	2.2
91.05483	28.4
93.07051	37.5
95.04977	7.8
95.08614	42.2
97.02906	9.8
97.06544	9.5
97.10172	8.3
99.04445	2.6
99.08056	1.6
103.05428	1.3
105.07038	22.3
107.04957	5.9
107.08595	22.3
109.02872	1.8
109.06510	4.2
109.10168	19.4
111.04464	1.8
111.08078	3.4
115.05445	1.3
117.07024	13.0
117.09196	1.6
119.08588	17.3
121.06509	3.5
121.10143	14.4
123.08064	4.1
123.11702	5.5
125.09650	3.1
127.03909	4.9
129.07022	5.0
131.08597	13.3
133.10130	18.0
135.08032	3.2
135.11711	9.7
137.09639	1.7
137.13316	1.8
141.06920	1.3
143.08572	4.8
145.04980	3.2
145.06421	1.1
145.10114	11.6
147.11719	8.9
149.09627	8.1
149.13306	6.9
151.11247	1.6
155.08560	2.7
157.10152	3.4
159.11708	11.1
161.13257	2.3
163.06186	1.2
163.11191	4.7
169.10124	2.1
171.11702	1.9
173.04478	3.0
173.11852	2.0
173.13286	5.0
177.12723	2.7
179.14323	1.1
181.12202	1.4
183.11755	1.9
185.13187	2.9
187.85136	1.0
195.13808	3.2
199.14830	2.9
201.12830	1.4
203.14423	1.2
204.04924	1.1
217.15790	3.0
227.12807	4.8
229.14369	5.9
239.17981	2.8
239.23802	3.3
247.20580	1.7
255.15941	11.5
257.18997	8.6
257.24738	2.8
261.14786	1.4
267.16013	1.7
269.17505	29.8
275.20071	24.0
291.19540	2.1
293.21094	3.7
309.20627	6.9
311.25922	1.5
313.27386	100.0
314.27725	2.0
331.22754	2.4
339.18195	2.1
341.26804	1.5
347.79010	1.2
349.23804	27.7
367.24731	4.3
413.21402	2.3
467.37317	6.9
468.37515	1.4
493.38977	16.4
494.39590	1.2
507.40506	80.0
508.40555	3.7
521.42126	1.7
547.43634	18.8
587.46747	38.3
588.46552	1.8
605.47626	11.1
627.40491	1.7
651.44690	1.4
749.51764	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	961.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	3.1
69.03434	2.9
71.59694	0.5
73.02909	3.0
79.05492	1.5
81.03422	1.8
81.07074	2.9
85.02904	6.0
91.03973	2.9
91.05485	1.2
93.07052	1.9
95.08616	2.6
97.02892	5.0
97.10178	0.6
99.04453	1.3
101.02401	1.8
105.07036	0.8
107.08592	1.2
109.10191	0.7
119.08642	0.6
121.10168	1.0
127.03960	2.1
133.10156	0.6
146.92329	0.5
185.04309	1.3
202.08900	0.6
243.08536	1.2
335.25595	1.2
341.30688	1.0
347.09723	1.8
365.10696	0.8
395.99548	0.6
405.13647	4.4
519.29266	3.3
521.30780	3.3
681.34515	5.3
683.35986	3.6
728.13672	0.6
799.54608	1.0
961.58636	100.0
962.58826	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	956.631
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77158	0.8
67.05507	94.8
69.03426	3.0
69.07070	32.7
71.04984	3.2
71.08624	2.8
71.08973	1.1
73.02924	7.3
77.03870	1.1
79.05495	48.2
81.03419	2.2
81.07060	100.0
83.04971	3.2
83.08623	18.8
85.02907	26.5
85.06529	3.8
85.10185	1.2
88.12902	0.9
91.03962	16.2
91.05482	31.8
93.07047	58.4
95.04988	4.0
95.08609	86.9
97.02898	13.3
97.06539	6.5
97.10175	10.2
99.04449	2.3
99.08105	3.3
105.04530	1.4
105.07035	23.2
107.08595	37.1
109.06517	1.3
109.10160	34.6
111.08102	2.3
111.11719	2.9
113.09679	1.0
115.03926	1.9
117.07025	7.2
119.08582	19.8
121.10146	27.4
123.08057	1.5
123.11707	13.8
125.09596	1.8
127.03908	8.0
129.07001	1.3
131.08572	13.9
133.10141	18.7
135.11697	21.9
137.09639	1.1
137.13272	5.3
141.12724	0.8
143.08618	1.0
145.04976	8.0
145.10126	11.0
147.11700	13.7
149.09669	1.0
149.13271	11.3
150.52058	0.8
151.11208	1.4
151.14836	2.8
153.12714	0.8
155.08559	0.8
157.10139	1.7
159.11681	9.5
161.13293	11.6
163.06017	11.5
163.11169	1.2
163.14824	9.3
171.11736	2.3
173.13242	9.6
175.14815	6.8
177.12804	1.2
177.16452	3.2
179.14308	1.5
183.11731	1.1
185.13268	2.7
187.14769	4.5
189.16420	2.4
199.14966	1.7
201.16360	2.2
203.18010	1.6
215.18073	1.7
217.19443	1.2
219.21114	1.2
227.16374	1.0
229.19540	0.9
233.22571	2.7
241.19598	2.2
243.21019	8.2
245.22658	4.6
252.63455	0.8
259.20584	7.4
261.22147	27.0
263.23666	6.4
279.23135	0.8
299.23911	1.2
305.24872	0.9
315.26932	1.1
317.24673	5.2
333.24374	6.7
335.25806	89.7
336.26208	1.9
337.27377	94.1
338.27750	2.7
339.28937	10.0
345.16635	0.8
371.32980	1.3
435.35620	1.0
503.36484	0.9
505.38342	1.0
505.44815	0.9
517.39038	1.2
523.45215	7.6
531.40253	1.3
541.46002	2.1
589.35535	0.9
597.48761	43.2
598.49133	1.7
599.44855	0.9
615.49835	51.4
616.49982	2.0
943.36853	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	947.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28400	4.9
69.28825	3.5
76.78671	0.7
79.05499	1.5
80.05009	1.1
80.41834	0.9
81.04548	0.9
85.02940	0.9
91.05476	3.4
93.07046	1.7
94.06557	2.1
95.04964	1.2
95.06077	1.0
98.21522	1.8
103.05475	2.6
105.07040	2.0
106.06516	1.1
107.07360	2.0
108.08146	6.6
108.08823	1.1
115.05461	2.6
116.05015	2.1
117.05742	1.6
117.07037	2.9
118.06551	6.0
119.04935	0.9
120.04465	2.3
120.08118	12.0
121.07634	2.5
122.06052	1.7
122.09686	11.7
128.05052	0.9
130.06541	100.0
132.07089	1.4
132.08099	9.3
133.07626	1.2
133.08878	1.0
134.06041	1.6
134.09657	5.7
135.09166	3.3
136.07590	2.8
138.09126	1.9
142.06503	1.2
143.07336	2.2
144.04463	4.1
144.08095	30.6
145.07584	2.1
146.06006	8.5
146.08391	4.0
147.04463	1.0
147.09187	15.5
148.07584	3.8
148.09935	1.1
149.10750	3.3
150.09129	3.1
152.07100	1.7
152.10756	0.9
154.06514	2.3
156.08115	1.3
157.07668	2.1
158.08466	1.2
159.09187	13.6
160.03995	1.3
160.07620	1.3
160.09985	1.4
161.10764	32.4
162.05554	2.1
163.03946	4.1
163.08626	1.1
164.10730	1.3
165.10262	1.7
166.08653	3.8
169.07634	16.1
171.09164	7.5
172.03949	24.0
173.10814	4.2
174.05515	1.5
175.08621	0.9
175.12299	1.0
177.10231	2.5
178.08649	2.4
179.11847	5.3
183.09087	1.1
187.08661	4.5
188.07109	1.5
189.10179	1.2
190.05017	2.8
192.10197	1.6
196.09865	2.7
199.08600	2.0
204.06587	39.7
205.09808	2.2
205.73152	1.0
206.10442	1.1
207.11328	2.3
209.10709	1.1
215.08176	3.1
219.09329	0.9
219.11278	4.5
220.09892	1.5
220.12010	1.9
221.10860	1.5
221.12857	16.7
223.08763	1.1
223.12398	1.1
225.10286	3.4
227.11790	1.8
232.09856	1.5
233.10822	1.9
233.12849	1.1
235.12320	3.6
236.09441	2.1
237.10242	3.9
238.11084	0.9
239.08047	1.1
239.11819	2.3
245.10750	1.4
246.11568	3.0
247.12527	2.4
249.10228	3.5
249.13907	2.1
250.10995	1.8
251.12035	4.6
252.09082	1.0
253.09708	2.7
254.10471	1.1
255.11421	1.4
259.12289	1.3
261.10452	2.0
261.13962	6.9
262.11020	2.0
263.11749	3.8
264.08948	1.1
265.09604	3.1
265.11771	4.8
266.10446	1.5
267.11307	3.6
269.12833	2.3
271.10626	1.9
274.13544	1.2
275.11847	1.0
277.09763	3.2
278.10416	2.2
279.11328	10.7
279.14606	1.8
280.12064	1.7
281.09329	2.3
281.12857	2.6
283.10788	2.1
283.14246	0.9
284.11578	1.3
285.12311	1.7
287.14194	1.1
288.14911	1.0
289.09726	3.2
289.12833	1.1
290.16577	1.1
291.11407	5.6
292.11844	1.3
293.09354	1.1
293.12872	3.2
295.10724	2.6
296.11713	1.1
297.12381	2.9
299.14005	1.2
303.11447	0.9
306.12625	1.7
307.10812	1.4
308.17477	1.1
309.12393	4.2
311.10406	1.4
311.13992	3.5
312.11044	1.3
313.11954	2.4
319.10660	1.2
320.13992	3.6
321.12579	2.0
321.15921	8.1
323.10349	2.4
324.10776	0.9
325.11761	2.6
326.12625	1.2
327.13513	4.1
328.14502	1.5
332.13986	1.1
333.11795	1.2
334.15518	1.1
335.10379	2.9
337.11914	3.8
339.13446	12.7
339.17285	1.2
340.10626	1.7
340.14462	2.1
341.15240	2.5
342.16135	3.1
348.17050	1.0
349.11624	1.3
350.18658	1.6
351.13669	1.6
352.14264	1.1
353.11264	1.4
353.15054	2.4
354.16061	1.9
355.12897	6.6
355.16656	2.2
356.14035	1.7
356.17578	4.2
357.14572	1.7
358.15430	1.3
365.14908	3.2
366.14914	1.9
367.12735	5.2
368.17728	1.1
369.14532	2.9
370.15393	2.9
380.16293	1.5
381.15125	1.0
383.16632	1.2
384.17300	5.2
387.15707	1.2
394.17584	1.3
397.14023	1.2
398.15042	2.7
399.15683	5.9
400.16553	2.7
406.14197	1.9
408.16849	1.1
412.16486	2.8
414.18265	2.2
416.15976	2.4
426.16714	1.7
428.15649	1.9
430.17700	2.0
438.16684	1.5
443.18207	3.3
444.19409	1.6
454.17249	1.4
458.21655	6.9
472.18777	1.5
486.19955	2.7
490.19611	1.5
496.18378	0.9
501.21606	1.2
504.21475	1.6
509.21701	1.4
514.19873	1.9
518.22791	7.3
543.22437	2.2
546.22406	3.0
553.20929	7.0
571.21375	2.3
578.25000	1.3
579.18469	1.1
585.23547	6.7
587.21954	1.9
590.21332	20.5
591.22028	1.2
597.19879	48.3
598.19537	1.7
619.24200	3.9
622.24371	5.4
629.22546	13.5
632.24921	1.9
637.25958	1.5
672.28369	6.3
687.24500	1.3
697.24762	2.4
704.30988	7.2
706.29382	1.1
716.27173	19.8
736.25787	1.6
748.29736	20.7
749.30426	1.5
760.26483	11.3
774.26642	1.9
780.31799	2.2
792.29004	21.6
793.28796	2.3
795.34161	2.0
797.32959	7.3
821.32758	1.2
824.31781	6.3
829.35950	2.0
839.19415	1.3
839.33954	15.2
865.32153	5.6
871.35211	3.2
883.33014	70.1
884.32782	3.8
912.00641	1.0
915.35791	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	945.7184
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	17.1
69.03421	0.8
69.07072	14.6
69.68559	4.0
71.05012	0.6
77.13054	0.6
79.05496	14.2
81.07063	43.7
82.52378	0.6
83.08631	7.8
85.06521	0.7
91.05484	11.7
91.06004	0.4
93.07053	34.0
95.04970	1.9
95.08614	75.3
96.08943	0.7
97.06554	1.5
97.10171	4.0
103.05489	1.1
105.04511	0.8
105.07037	37.4
107.08601	57.5
109.06523	2.6
109.10165	43.9
111.08089	32.0
111.11713	1.8
117.07027	3.0
119.08589	56.4
121.10151	42.9
123.08057	1.0
123.10816	0.9
123.11714	17.5
125.05981	0.7
125.09634	1.5
129.07028	2.3
131.08582	12.4
133.10141	48.7
135.08060	0.7
135.11707	24.3
137.13266	5.1
139.07573	1.2
139.11188	8.9
141.06995	0.8
142.07892	0.6
143.08556	4.9
145.10132	26.2
146.10760	0.8
147.11697	35.7
149.13274	32.9
151.07579	0.8
151.11168	3.8
151.14822	0.8
153.09113	4.6
153.12805	0.8
155.08530	0.9
157.10132	5.2
159.11707	25.0
160.12141	0.7
161.13271	29.0
163.07639	1.0
163.11186	1.0
163.14833	38.9
165.09106	1.3
165.12801	1.7
165.16429	1.0
167.10739	1.1
169.10127	1.3
171.11729	4.6
173.09694	0.9
173.13271	17.2
174.13976	0.7
175.14835	28.5
177.09155	3.6
177.12885	0.9
177.16399	29.1
179.10715	2.3
179.14328	2.1
183.11783	1.5
185.13257	4.5
187.14835	21.4
188.15387	0.8
189.16396	70.6
190.16740	1.3
191.17963	14.8
193.12358	1.1
193.15855	1.6
195.17470	5.3
197.13287	1.9
199.14801	5.6
201.16403	46.2
203.17973	62.1
204.18260	1.3
205.15912	6.4
205.19493	5.1
207.17451	27.6
208.17645	0.7
211.14902	1.3
213.16405	12.9
215.17969	33.9
217.15910	1.9
217.19537	6.8
219.13919	1.0
219.17447	8.1
221.13176	0.7
221.15451	2.2
221.19006	18.3
221.21037	1.2
223.16943	1.3
225.16411	1.8
227.17929	6.4
229.15924	2.0
229.19534	6.6
231.17450	2.4
231.21059	1.3
233.19154	2.0
234.19794	0.6
235.16954	11.0
235.20673	1.2
239.17950	1.5
241.19543	7.6
243.21109	7.7
245.22794	1.2
247.16965	19.1
247.19623	1.0
247.20703	1.2
249.18515	8.4
253.19623	2.0
255.21078	5.8
257.22726	2.4
259.16989	1.6
261.18530	17.3
261.22128	1.9
263.20126	0.9
267.21045	3.5
269.22684	3.9
271.20767	0.7
271.24265	1.2
273.18588	1.3
273.22241	0.9
275.20160	1.7
279.21231	1.0
281.22681	2.9
283.24200	2.4
287.20132	2.4
289.21701	4.3
295.24237	2.7
299.20169	1.3
301.21713	2.5
303.30475	0.6
309.25958	0.8
313.21939	1.0
313.25275	1.2
315.23087	3.6
321.25919	1.4
327.23254	1.2
329.24808	2.4
341.24585	0.6
343.26526	1.0
349.29190	1.1
351.30615	2.8
377.28513	0.9
379.33533	2.1
381.27878	1.2
391.28656	0.9
391.33646	19.0
393.35513	1.0
397.31009	9.6
409.34674	52.6
410.35034	1.4
411.36246	8.2
419.33060	3.0
425.34171	24.0
426.34378	0.7
427.35767	7.7
437.34189	100.0
438.34235	2.9
455.35229	44.0
456.35654	1.8
472.34525	0.7
473.36017	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	941.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	14.8
67.29454	2.2
67.51810	2.0
68.99768	6.1
69.03078	2.8
69.03435	45.1
69.07063	13.9
69.35143	20.5
71.04968	5.8
73.02909	5.4
74.56110	2.3
74.65710	2.0
79.05499	14.6
81.03424	38.6
81.07059	33.9
83.04981	5.3
83.08622	10.6
85.02911	100.0
85.03429	5.0
87.00836	48.2
91.05463	17.8
93.07042	37.6
94.12747	1.9
95.04953	3.2
95.08047	3.6
95.08607	44.6
97.02901	46.3
97.10159	3.4
99.04459	14.2
99.08092	18.1
101.02348	3.4
103.03928	4.0
105.01871	45.6
105.07037	32.4
107.04977	2.4
107.08601	56.6
109.02889	54.9
109.06496	3.3
109.10158	29.9
111.04424	4.8
115.03916	2.8
117.01810	2.6
117.07041	7.6
119.07788	3.8
119.08589	54.1
121.06605	2.6
121.10150	52.8
123.11702	13.6
125.02352	2.2
127.03925	97.3
128.39412	2.3
129.07034	3.8
130.07785	2.1
131.08571	19.6
133.06433	2.4
133.10132	66.2
134.10446	2.6
135.04385	4.3
135.08037	6.0
135.11696	25.9
137.09581	3.6
137.13301	4.8
143.08537	11.6
145.04959	17.2
145.10120	32.9
147.11699	32.8
149.09645	2.9
149.13268	30.7
151.03966	3.5
151.11217	3.3
155.08571	4.1
157.10150	14.2
159.02902	11.8
159.11722	32.0
161.13232	19.1
163.03914	7.8
163.11174	7.3
163.14838	17.7
169.04880	2.5
169.10126	7.2
171.11668	10.2
173.13303	22.2
175.14839	21.4
177.16399	19.9
183.11668	5.3
185.13254	9.3
187.06000	3.2
187.14838	28.6
189.03954	4.8
189.16393	30.3
191.14247	2.9
191.17902	11.1
195.11729	3.9
197.13286	4.4
199.14787	8.0
201.16402	24.4
203.17943	32.7
205.15875	41.1
207.17441	7.6
210.14130	2.3
211.14841	5.0
213.03928	16.7
213.16374	9.4
215.17966	6.6
217.19589	3.0
219.17488	9.5
221.19017	4.9
223.16888	4.8
225.16341	3.2
225.53206	2.1
227.17966	5.6
229.19489	6.1
231.05013	30.4
239.17902	3.0
241.19498	3.1
245.18977	3.7
249.06055	9.1
259.20578	5.1
267.21252	2.8
273.06070	14.0
313.25262	3.1
339.06845	4.3
383.33221	3.4
391.33530	5.0
397.34494	8.9
399.36588	2.4
407.32889	4.4
408.73846	2.8
409.34665	80.8
410.35001	4.7
425.34247	3.6
427.35706	76.8
428.35980	3.3
439.35663	2.8
445.36694	2.4
451.35532	3.8
461.09131	5.3
467.35464	3.1
469.36853	11.0
499.35953	3.7
511.37573	4.7
517.36597	8.5
535.37653	6.7
553.39508	3.5
603.36420	5.3
621.37421	8.7
639.39166	14.0
657.39740	10.2
687.48102	2.4
723.57556	2.6
941.45874	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	937.586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.5
67.65862	0.4
69.03438	2.8
69.07077	0.8
69.20488	0.4
69.88967	1.9
71.08656	0.5
73.02919	2.8
79.05505	1.5
81.03413	1.0
81.07059	2.0
83.08629	0.7
85.02905	5.0
85.10164	0.4
91.03956	2.3
91.05497	0.9
93.07059	1.0
95.08585	1.7
97.02894	4.7
99.04473	0.9
99.57690	0.3
101.02399	1.4
103.87679	0.4
107.08617	0.5
109.02907	0.8
109.10199	0.8
116.43848	0.4
121.10172	0.7
122.43987	0.4
124.82113	0.4
127.03948	1.5
135.11800	0.5
141.30315	0.4
142.29086	0.4
145.05032	0.4
185.04196	0.8
203.05205	0.7
242.47920	0.4
243.08449	1.7
313.27313	0.6
347.09430	1.9
363.09015	0.5
365.10733	0.8
405.13681	5.2
419.15567	0.4
497.30768	3.8
519.29285	4.5
659.36304	2.8
681.34631	6.0
767.11041	0.5
775.53156	1.0
937.58557	100.0
938.58923	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	933.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.2
65.62074	0.4
67.05508	12.5
69.03429	9.3
69.07067	6.0
71.01351	1.4
71.04989	1.4
71.59304	0.3
71.59696	0.5
73.02920	8.9
77.03962	0.3
79.05493	9.6
79.57283	0.3
81.03432	3.9
81.06571	0.7
81.07058	13.5
83.01351	0.6
83.04982	1.1
83.08635	3.7
85.02908	19.0
85.06538	0.9
87.04469	0.7
91.03958	11.1
91.05480	8.4
93.07049	10.5
95.04971	1.3
95.08610	11.4
97.02895	17.0
97.06543	1.5
97.10174	1.9
99.04460	1.9
99.08035	0.6
101.02390	3.0
105.07034	8.6
107.04938	0.7
107.08602	6.7
109.02882	1.4
109.06545	0.8
109.10163	4.2
111.04447	0.4
111.08081	1.1
111.11768	0.5
115.03928	0.9
115.05452	1.1
116.06293	0.4
117.05582	0.3
117.07026	4.9
119.08588	7.6
121.06549	0.4
121.10159	4.0
123.08073	1.1
123.11697	1.3
125.09614	0.9
127.03937	5.2
128.06250	2.1
129.05519	0.6
129.07010	6.3
130.07719	0.4
131.07596	0.5
131.08571	7.1
133.10130	5.4
134.10516	0.3
135.11670	3.1
137.09625	0.4
141.06996	3.8
142.07808	2.1
143.08565	8.1
144.09296	0.3
145.04974	3.3
145.06094	0.4
145.06488	0.4
145.10132	6.5
147.08049	0.5
147.11687	3.5
149.09645	0.5
149.13249	1.2
153.07016	0.8
153.12639	0.4
154.07790	1.1
155.08548	6.7
156.09349	1.2
157.10138	7.6
159.08046	0.5
159.11693	5.5
161.09570	0.4
161.13260	2.2
163.03960	0.6
163.06030	1.2
163.14806	0.5
165.07025	0.6
166.07822	0.5
167.08577	3.6
168.09373	1.6
169.10121	7.3
170.10875	0.7
171.11688	5.9
173.09654	0.4
173.13261	3.5
175.14862	1.2
177.16490	0.3
179.08589	1.5
180.09370	0.7
181.10132	5.6
182.10779	0.7
183.11696	9.1
184.12378	0.5
185.13263	4.7
185.14827	0.4
187.14853	2.1
189.16400	0.8
191.08582	0.5
192.09222	0.5
193.10109	2.1
194.10886	0.6
195.11713	5.9
196.12485	0.9
197.09644	0.4
197.13252	6.8
197.14981	0.4
198.13855	0.4
199.13164	0.4
199.14832	2.9
201.16434	1.4
203.14578	0.4
205.10106	0.8
206.11038	0.5
207.11775	2.3
208.12463	0.6
209.13280	5.2
211.11176	0.4
211.14830	4.6
213.12849	0.4
213.16426	2.0
219.11780	1.1
219.17543	0.4
220.12514	0.5
221.13271	2.1
222.14015	0.4
223.14836	3.7
224.15500	0.4
225.16452	2.7
227.18007	1.3
229.19614	0.4
231.11801	0.6
233.13336	0.7
235.14969	1.9
237.16426	2.9
238.17049	0.4
239.18021	2.1
241.19699	0.9
247.14909	0.7
249.16437	1.2
251.14200	0.4
251.18056	1.9
253.19832	0.7
255.21307	0.4
257.18912	0.4
259.14774	0.6
259.20560	0.5
261.16315	0.5
263.17911	1.1
265.19608	1.2
267.17477	0.4
267.21115	0.9
271.17209	0.5
273.16257	0.4
275.17969	0.7
277.19498	0.8
279.21072	0.7
291.20880	0.4
295.16956	0.5
295.20465	0.8
295.24146	0.5
299.20377	0.6
301.51773	0.4
303.20993	0.4
307.20609	0.6
307.31622	0.3
311.19986	0.5
313.21765	0.5
313.27536	0.4
321.22104	0.7
323.23743	0.7
325.21600	0.6
325.25177	0.5
335.23456	0.5
335.26437	0.5
337.25357	1.0
341.24908	0.6
347.23965	0.5
349.25345	1.1
351.26898	1.2
353.28592	0.4
355.26608	0.6
365.28528	0.9
379.30118	0.5
381.27686	0.5
383.29807	0.4
391.30032	0.5
393.31900	0.5
401.28311	0.4
405.32101	0.6
407.29425	0.7
409.30798	0.6
421.31018	0.6
425.30545	0.5
447.32230	0.4
449.33832	0.3
475.34488	0.6
499.39725	0.6
501.35443	0.7
513.35968	0.5
515.38208	0.7
517.40588	3.9
521.36267	0.7
525.35559	0.5
527.37787	0.7
535.41870	2.1
539.36884	1.6
540.38232	0.5
541.38678	0.8
553.40625	0.5
567.40881	0.4
569.41541	0.5
573.43365	0.6
591.44214	4.9
607.43365	3.1
609.45129	100.0
610.45551	5.5
611.46967	0.7
621.44952	2.2
625.42676	0.4
633.45270	1.0
643.44281	0.4
645.44958	0.6
651.46014	1.5
663.45990	0.7
675.45825	0.7
681.45129	0.4
693.47144	0.5
699.46265	1.1
717.47058	1.0
735.48260	2.6
737.71594	0.3
753.49347	3.0
771.50372	26.0
772.50476	1.7
837.50720	0.3
933.37885	0.6
933.55591	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	932.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	0.7
66.90365	0.6
67.05510	36.1
69.03390	1.9
69.07076	10.9
71.04981	1.2
71.08010	1.1
71.08636	19.3
73.02927	4.0
79.05497	20.5
81.03407	1.1
81.07062	46.1
83.04976	1.3
83.08627	9.8
85.02908	15.7
85.06514	1.4
85.09734	0.8
85.10184	10.0
87.04423	0.8
89.05998	1.2
91.03963	11.3
91.04980	0.7
91.05482	11.0
93.07047	25.8
95.04919	2.0
95.08611	40.4
97.02901	9.5
97.06493	1.5
97.10189	5.6
99.08038	0.8
103.07554	0.8
105.04432	0.6
105.06409	0.5
105.07040	7.2
107.08600	16.9
109.06498	0.9
109.10162	19.4
111.11707	1.3
115.03925	0.9
117.07022	3.9
117.09180	0.5
118.27716	0.6
119.08591	6.8
121.10155	13.7
123.08185	0.5
123.10929	0.6
123.11700	7.5
125.09603	0.7
125.13232	0.6
127.03922	5.2
131.07713	0.7
131.08575	8.8
133.10117	6.4
135.11700	10.6
137.09604	0.8
137.13237	2.5
139.11169	0.7
145.04976	5.8
145.09151	0.6
145.10126	5.8
147.11702	4.7
149.13266	6.8
151.11166	0.5
151.14786	1.2
159.11668	4.5
161.13237	4.4
163.06059	5.4
163.14835	5.1
173.13286	4.8
175.14822	2.0
177.16376	1.4
187.14870	3.3
198.41194	0.6
219.17319	0.6
233.22606	1.0
239.23738	2.1
243.18767	0.8
243.21103	10.3
257.24701	2.2
261.22159	37.8
262.22427	0.7
279.23209	0.9
299.23734	0.9
313.27368	100.0
314.27649	2.1
317.24725	5.6
335.25812	83.1
336.26108	1.7
383.01547	0.5
405.16296	0.6
467.60672	0.6
499.45197	1.3
573.48798	44.2
574.49091	2.2
591.49872	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	932.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03974	3.6
67.05508	61.2
69.03429	4.9
69.07076	22.7
71.04989	2.6
73.02904	1.8
79.05497	77.0
81.03429	13.1
81.07059	66.0
83.04996	12.2
83.08636	9.6
85.02901	7.8
85.06530	5.2
87.08044	1.6
91.05484	59.5
93.07045	74.7
94.07397	2.2
95.04980	21.7
95.08607	33.2
97.02905	4.8
97.06533	15.5
97.10176	8.5
97.71145	1.6
105.04517	2.5
105.06308	2.6
105.07034	51.1
107.04958	10.6
107.08600	35.4
109.06523	9.7
109.10161	9.5
111.04443	1.6
111.08078	2.7
117.07033	15.2
119.08583	27.8
121.06508	5.0
121.10139	14.8
123.08076	6.5
125.09640	6.6
127.03869	1.6
128.06216	2.3
129.07011	14.9
130.07944	1.7
131.08585	16.3
133.06458	2.3
133.10138	22.7
135.08090	3.7
135.11705	10.0
137.09669	1.9
142.07793	1.9
143.08566	10.3
145.10124	15.5
147.08044	3.6
147.11697	34.5
149.09659	12.1
149.13278	5.3
155.08569	2.0
157.10190	2.3
159.11742	10.6
161.09601	2.9
161.13269	13.1
163.03931	2.5
163.11185	7.3
169.10133	3.7
171.11673	22.9
173.04475	3.2
173.13249	5.0
177.12712	1.9
179.14293	2.1
180.15727	1.7
183.11786	2.9
185.13278	4.1
187.11200	2.5
189.11287	2.7
189.12807	6.9
195.13853	2.5
207.13826	19.3
227.12817	11.9
255.15828	3.6
257.19012	11.4
267.15775	1.9
269.17450	10.8
275.20078	27.9
281.17502	67.4
293.21121	2.8
331.22519	4.2
335.25757	2.6
349.23727	21.6
367.25046	2.0
377.23737	1.7
435.27426	6.2
451.26932	3.7
461.29041	23.0
466.27173	2.0
475.30612	100.0
476.30838	4.3
537.35437	4.5
555.36853	69.8
556.37341	2.7
573.38190	9.8
573.47021	2.2
619.34491	5.3
629.00641	2.2
729.99969	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	931.6653
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.3
67.05500	2.6
69.03426	0.6
69.07066	1.8
70.68391	0.5
71.04984	0.4
77.03913	0.2
79.05492	3.2
79.39874	0.2
81.07062	4.1
83.04964	0.3
83.08625	1.0
85.06527	0.3
91.05473	3.9
93.07046	4.9
95.04961	0.8
95.08607	9.5
97.06528	1.3
97.10165	0.2
103.05464	0.2
105.07033	8.5
107.04945	0.6
107.08595	8.8
109.06499	1.4
109.09450	0.3
109.10160	4.6
111.08101	0.9
115.05450	0.6
117.07015	1.2
119.08582	10.2
121.06510	2.4
121.10137	5.0
123.08078	1.4
123.11700	1.0
125.09608	0.6
128.06209	0.5
129.06992	1.2
130.07768	0.2
131.08568	4.2
133.06497	2.5
133.10136	6.6
135.08057	40.2
135.11650	2.3
136.08371	0.4
137.09657	1.2
137.13264	0.3
139.11200	0.2
141.06995	0.3
142.07802	1.0
143.08557	2.6
144.09341	0.5
145.06534	0.4
145.10127	5.8
146.07286	0.7
147.08049	6.1
147.11688	5.0
149.09625	5.5
149.10553	0.1
149.13301	0.8
151.07527	0.2
151.11205	0.6
155.08551	0.5
156.09378	1.0
157.10135	5.2
158.10902	0.3
159.08060	1.3
159.11691	4.5
160.08786	0.4
161.09621	16.8
161.13252	2.9
162.09929	0.2
163.11162	1.3
163.14809	0.8
165.12831	0.3
167.10663	0.5
169.10164	1.2
170.10925	0.8
171.08018	0.5
171.11697	4.0
172.08917	0.3
173.09644	1.8
173.13274	4.3
174.10387	0.8
175.11188	6.5
175.14812	3.4
177.12738	0.6
177.16362	0.3
181.10159	0.4
183.11685	1.4
185.09619	0.8
185.13266	4.0
186.10425	0.3
187.11168	1.3
187.14828	2.5
188.11935	0.9
189.12741	2.8
189.16411	2.0
191.14328	1.5
193.12291	0.4
193.15881	0.5
195.11795	0.4
197.13268	1.1
199.11217	0.8
199.14854	2.0
201.12753	1.9
201.16405	2.0
203.14319	45.7
203.18015	2.5
204.14641	0.8
205.15852	1.1
207.11722	0.3
207.13638	0.3
209.13240	0.5
211.11177	0.4
211.14801	0.6
213.12820	0.6
213.16359	4.2
215.14330	1.1
215.17961	0.5
217.15887	14.7
218.16365	0.4
219.14011	0.2
219.17451	1.2
221.13461	0.3
221.15283	1.1
223.14934	0.4
225.12817	0.4
225.16370	0.6
227.14249	0.6
227.17940	0.5
229.15901	0.8
231.17430	3.8
233.13124	0.2
235.17073	0.2
237.12733	0.2
237.16467	0.3
239.14229	0.3
239.17984	0.5
241.15935	0.8
241.19707	0.4
243.17365	1.1
245.18979	0.3
249.18570	1.8
251.17917	0.6
253.19553	0.7
255.17509	0.7
257.19113	0.4
265.19571	0.3
267.17511	0.5
267.21146	0.3
269.19034	0.8
283.20581	0.2
285.22043	0.3
293.19073	0.3
293.22882	0.3
295.20596	0.4
297.22263	0.6
319.24295	0.3
321.22049	0.5
325.25281	0.4
333.22314	0.7
351.23297	1.1
363.26743	0.5
369.24237	0.6
385.29099	0.3
391.29895	0.7
403.29965	2.5
409.30942	0.5
411.32449	0.5
414.27634	0.3
421.30984	6.0
429.33643	0.8
439.32086	9.2
440.32037	0.4
457.33127	100.0
458.33484	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	930.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	2.5
67.05509	46.3
69.03448	2.1
69.07071	30.1
69.60123	11.6
70.11968	1.6
71.04988	3.0
71.08642	3.1
73.02932	4.6
77.77911	1.9
79.05498	29.4
81.07063	57.3
83.08624	19.9
83.12294	1.5
85.02911	15.2
85.10188	3.0
91.03973	12.0
91.05470	15.4
93.07050	37.6
94.88242	1.8
95.08612	43.9
97.02882	13.2
97.06526	3.6
97.10165	11.1
105.07043	9.2
107.08586	20.8
109.10152	20.8
111.11765	2.0
117.06999	2.7
119.08565	9.3
121.10150	25.2
123.11687	9.3
125.09631	2.0
127.03935	4.0
131.08589	8.9
133.10187	6.2
135.11731	16.1
137.13293	3.8
145.04958	5.9
145.10126	4.3
147.11725	6.3
149.13275	8.8
153.12694	2.0
159.11710	4.7
161.13248	3.8
163.06029	6.8
163.14848	3.3
169.18848	1.9
173.13258	4.7
175.14882	2.8
177.16405	3.4
187.14745	2.8
219.21135	2.5
223.06671	1.7
237.22365	3.1
243.21124	7.0
261.22177	27.0
309.24167	6.1
311.25824	100.0
317.24625	4.1
335.25833	76.3
335.29907	3.9
337.27475	6.8
422.34946	1.9
526.78204	2.1
571.47247	43.5
572.47498	3.7
589.48364	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	928.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.9
67.05508	93.3
68.55341	1.8
68.98556	1.7
69.03447	5.6
69.07070	26.1
69.28691	4.5
69.29091	14.3
71.05014	3.4
71.08627	4.1
73.02913	4.9
79.05489	49.4
81.03429	2.3
81.07063	100.0
83.05022	2.7
83.08611	15.5
85.02911	26.6
85.06557	5.8
87.98415	2.2
91.03956	18.4
91.05488	34.6
93.07056	54.3
95.04963	5.0
95.08608	75.1
97.02903	17.7
97.06541	6.6
97.10174	7.0
99.08101	7.4
105.07044	27.0
107.08611	27.3
109.10169	31.3
111.08098	2.7
117.07041	7.3
119.08583	24.3
121.10155	28.8
123.11703	15.1
125.09704	2.7
127.03957	8.4
127.11218	2.0
129.80740	2.1
131.08542	12.6
133.10129	23.3
135.11719	20.6
137.09584	2.2
137.13266	6.5
143.08566	2.7
145.04974	10.9
145.10150	12.0
147.11685	13.6
149.13269	15.7
155.08459	1.9
157.09996	1.9
159.11647	6.6
161.13266	9.2
163.06033	8.1
163.14835	6.9
173.13261	6.1
175.14851	4.1
187.14792	4.7
189.16396	3.6
199.14896	3.2
201.16373	1.9
215.17946	6.2
217.19547	6.9
228.10118	2.4
233.18994	6.8
233.22586	2.6
235.20615	7.9
241.19582	2.3
243.21136	7.3
259.20618	4.1
261.22141	19.8
261.79001	1.8
307.22516	4.2
309.24231	83.0
311.25711	8.8
314.19278	1.9
317.24817	4.6
333.24191	6.6
335.25809	88.7
336.26175	2.1
337.27396	7.5
355.87921	2.2
403.73611	2.0
451.03281	1.9
477.40192	2.3
495.41806	6.7
543.48596	2.2
569.45715	32.3
587.37946	3.6
587.46692	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	926.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02071	0.8
65.03938	5.2
67.05509	95.5
69.03435	4.0
69.07072	23.1
69.30537	6.4
71.05002	5.7
71.08640	1.7
73.02925	7.4
76.40354	0.6
77.03931	1.1
79.05499	82.2
81.03433	2.5
81.07062	100.0
82.07374	0.7
83.04996	2.8
83.08625	12.9
85.02908	34.4
85.06554	3.0
87.04471	1.0
91.03965	22.4
91.05486	47.5
93.07051	94.6
95.04966	7.5
95.08613	77.6
96.04517	1.3
97.02900	19.5
97.06532	5.0
97.10181	4.6
98.21462	1.3
99.04475	2.1
99.08087	4.4
103.05484	1.1
105.04505	1.7
105.07039	36.0
107.08601	45.0
109.02871	1.6
109.06551	3.9
109.10164	38.9
111.08103	2.6
111.11742	1.8
113.09637	2.1
115.03939	1.3
115.05463	1.6
117.07020	14.1
119.08588	29.8
121.06532	0.8
121.10153	46.0
123.08071	2.7
123.11718	13.3
125.09663	2.5
127.03936	7.5
128.06230	0.8
129.05519	1.1
129.07005	4.8
131.08577	26.8
133.10141	35.2
135.08130	1.8
135.11702	37.0
137.09657	2.4
137.13264	4.9
139.11186	2.3
143.08571	4.5
145.04982	12.9
145.10136	21.9
147.11694	25.1
149.09613	3.0
149.13272	16.4
151.11185	1.1
151.14850	1.0
155.08624	1.3
157.10124	5.4
159.11714	17.9
161.13260	12.9
163.06044	13.3
163.11162	3.2
163.14838	4.9
169.10168	1.2
171.11714	7.5
173.13271	14.9
175.11140	0.8
175.14844	5.3
177.12775	2.1
177.16383	2.0
183.11696	1.9
185.13324	4.6
187.14833	8.6
189.16402	2.7
191.14340	1.1
191.17976	1.4
197.13286	1.4
199.14815	2.6
201.16444	3.3
203.17966	3.7
205.15883	1.3
205.19522	2.7
209.13287	0.9
211.14804	1.1
213.14647	1.0
213.16417	9.4
214.54460	0.8
215.17967	24.3
217.15828	1.3
217.19623	3.4
223.14935	0.7
225.16479	0.9
229.15891	0.7
229.19539	1.2
231.17490	8.5
231.21176	1.0
233.19019	19.4
235.20534	2.5
239.18135	1.2
241.19644	3.9
243.21123	4.7
245.22563	0.8
251.20175	1.0
257.18918	0.8
259.20541	8.0
261.22186	15.4
263.23679	1.1
271.20563	1.5
273.22086	1.2
277.21634	0.9
279.23041	1.0
285.22260	1.2
289.21680	1.4
299.23773	1.0
301.25037	0.8
305.21188	5.7
307.22690	83.3
308.23050	2.1
309.24258	11.2
317.24707	2.6
327.26913	0.9
333.24255	6.8
335.25821	86.4
336.26093	2.9
337.27411	9.0
351.25269	0.8
356.95203	0.7
401.30737	0.9
457.32764	0.9
461.32129	1.4
475.39444	1.6
493.40649	5.8
511.41431	1.2
515.37378	1.5
567.44147	27.9
568.44476	0.9
585.45154	32.3
586.45306	1.1
671.26392	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	916.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.2
66.13168	1.3
67.05171	3.0
67.05508	51.1
68.78002	1.4
69.03440	1.7
69.07081	14.6
70.66232	3.2
71.04989	3.2
79.05498	76.9
80.53096	1.4
81.03431	8.3
81.07061	54.6
81.34996	1.5
83.04972	11.3
83.08619	7.4
85.02896	5.0
85.06513	3.1
91.05486	80.8
93.07050	77.1
95.04980	18.3
95.08614	38.3
97.02894	3.9
97.06567	3.9
97.10175	3.1
105.04471	2.0
105.07037	73.4
107.04964	6.1
107.08606	32.6
109.06512	5.7
109.10175	7.4
111.08086	2.2
115.05440	2.1
116.06276	1.6
117.07035	21.1
119.08594	53.9
121.06561	3.4
121.10162	13.4
123.08060	7.0
128.06216	4.2
129.07019	21.0
131.08569	21.9
133.06461	1.8
133.10141	35.1
135.08093	3.0
135.11731	13.1
136.78674	1.4
137.09657	2.0
141.06976	4.1
143.08588	15.4
145.06491	1.9
145.10147	23.1
147.08083	2.7
147.11697	56.1
149.09663	1.6
149.12202	1.8
149.13237	7.7
156.09290	1.6
157.10181	7.7
159.11708	16.5
161.09662	3.7
161.13280	34.1
163.11215	2.2
163.14833	2.5
165.12889	1.6
169.10153	3.9
171.11703	28.7
173.13225	9.9
175.11209	1.7
175.14812	13.1
177.12766	3.4
179.14253	2.0
183.11717	2.8
185.13202	9.7
187.14806	2.1
189.12767	7.3
197.13203	1.5
199.14880	5.5
207.13789	20.8
209.13187	2.3
211.14781	1.8
213.16400	2.9
215.17928	1.7
231.21046	4.9
241.19530	29.7
243.21120	2.4
257.18973	3.2
259.20587	66.3
261.22125	2.3
271.94864	1.5
275.19983	2.1
277.21616	2.5
279.15961	21.6
281.17480	73.3
283.19122	1.5
297.17014	2.0
315.23331	7.9
331.22626	1.9
333.24234	49.0
334.24625	2.1
336.99237	1.8
421.57422	1.9
429.31461	2.0
437.34015	1.8
447.32590	8.1
465.33765	7.0
483.34354	4.5
501.35666	1.6
521.36035	4.7
529.38470	2.2
539.37390	100.0
540.37714	4.4
557.38397	41.3
558.38739	2.0
587.57324	1.9
647.39697	1.7
663.13928	1.9
701.42041	1.9
735.29169	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	915.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63914	0.7
69.49088	4.0
69.49502	1.6
77.03895	0.7
79.05493	1.8
80.05008	1.6
85.98444	0.6
88.27900	0.8
89.03912	1.7
91.05476	2.8
93.07066	1.6
94.06568	2.7
95.04966	1.6
95.06098	2.0
103.05465	3.2
105.04509	0.9
105.07057	1.7
106.06551	3.3
107.04898	0.8
107.07330	2.2
108.08121	9.7
115.05463	2.3
116.04984	5.0
117.05778	2.3
117.07010	2.9
118.06561	10.1
120.04456	2.7
120.08121	13.3
121.07673	4.3
122.06049	1.8
122.09669	8.6
123.04424	0.8
124.07648	1.0
130.06541	76.5
131.06935	1.1
132.08093	8.8
133.07632	1.3
133.08804	0.9
134.06009	1.2
134.08351	0.8
134.09650	4.7
135.09196	5.9
136.07602	1.7
138.09148	1.4
142.06540	2.6
143.07320	3.6
144.04474	13.5
144.08102	35.7
145.06544	1.6
145.07622	4.7
146.06032	14.2
146.07269	0.9
146.08414	5.3
146.09540	1.7
147.09196	13.5
148.07587	3.2
148.09930	2.2
149.10768	1.8
150.09068	1.0
154.06479	2.0
157.07664	1.7
158.08429	1.7
158.09633	0.7
159.09180	16.1
160.03967	2.0
160.07594	1.5
160.09943	2.1
161.10768	20.1
162.05511	5.5
163.03926	2.0
163.08656	1.4
164.10788	1.0
165.10277	1.8
166.08667	3.3
168.06805	0.8
169.07640	24.3
170.06027	2.2
170.07890	0.8
171.09206	7.6
172.03954	64.6
173.04312	0.9
173.10760	2.1
174.05551	2.3
175.08701	1.3
175.12360	1.6
176.07051	3.0
177.10315	1.8
179.11798	1.4
180.10208	1.2
182.09702	1.0
183.09241	0.9
186.05559	1.3
187.08678	4.7
188.07101	5.3
189.10190	1.1
190.05009	6.5
193.09753	1.6
195.11343	1.1
197.10774	1.2
198.48817	0.7
199.08710	3.2
201.95020	0.7
204.06581	100.0
205.06918	1.7
205.09776	4.6
206.10533	2.8
207.09229	1.2
207.11267	3.0
209.10780	1.0
210.09340	1.3
210.11464	1.3
211.08691	2.2
212.09401	1.5
213.10263	1.1
215.08212	3.5
219.09282	1.1
219.11322	3.0
220.09958	0.9
221.10886	1.5
221.12839	7.8
223.12340	1.3
224.09319	1.8
225.10252	5.1
227.11818	4.7
232.09976	1.9
233.10786	2.9
234.11563	1.1
235.08665	1.2
235.12517	1.6
236.09456	1.2
237.10283	2.6
238.10999	1.1
239.11787	1.5
244.10004	0.8
245.10831	1.5
246.11528	2.4
247.10573	1.4
247.12566	2.1
249.10265	2.4
249.14043	1.4
250.11011	2.8
250.13264	0.8
251.11772	2.8
253.09711	3.7
255.11440	1.0
259.12292	2.4
261.10223	1.0
261.13940	3.2
263.07935	1.1
263.11774	2.9
265.09607	1.3
265.11917	1.1
265.13800	1.3
266.10501	0.9
267.11264	1.4
269.12921	2.7
271.10620	4.7
274.13379	2.9
275.11868	1.9
276.15210	1.1
277.09814	2.4
278.10406	1.7
279.11328	9.2
281.12903	1.5
283.10855	2.9
283.14154	0.8
284.11664	1.5
285.12509	1.0
286.13293	0.9
287.14084	1.8
288.14948	1.6
289.13324	1.0
291.11575	3.6
292.11490	1.4
292.14529	1.1
293.12787	3.9
294.12512	0.8
295.10797	1.4
295.14368	1.0
297.12305	3.4
299.14093	1.1
301.09302	0.8
302.13077	0.9
305.12256	1.1
306.12387	3.7
307.10788	1.6
307.14282	0.9
309.10718	1.5
311.13766	1.6
312.14911	1.0
314.12692	1.2
316.14337	1.2
319.14340	1.5
320.14008	3.1
321.12424	1.3
321.15939	2.3
323.10364	1.7
324.13931	1.0
325.11642	0.9
328.10620	1.5
330.12357	1.4
330.15964	1.8
331.17007	1.3
332.13947	0.9
334.15399	1.6
338.14996	1.6
339.13550	1.5
342.12415	1.5
342.16153	1.1
343.13251	0.9
351.13464	3.1
353.15204	0.8
356.13965	2.3
358.15628	2.2
366.14478	4.6
369.14810	1.1
370.11346	1.1
370.15591	1.3
380.16110	2.3
382.11920	2.9
383.12338	1.1
384.13339	2.1
385.13977	1.7
386.18799	2.1
390.17758	1.1
392.15894	1.3
394.17642	1.1
397.14917	0.8
398.14719	7.5
399.15878	11.2
400.16568	3.2
401.17148	1.1
404.16013	1.7
406.14059	4.5
412.16455	2.2
414.18341	1.2
416.16058	3.9
420.15872	1.0
422.14743	1.0
424.15417	1.1
426.15601	2.3
427.15256	0.9
428.16071	1.2
430.17426	2.1
438.16946	1.7
440.16324	2.3
446.17175	3.5
450.12823	2.3
456.17612	1.4
458.17203	9.3
460.18787	1.5
490.19885	2.6
509.21689	3.2
511.19870	1.7
543.22748	1.2
553.20917	14.6
554.20209	0.9
571.21539	2.4
577.24780	0.9
579.18762	2.9
585.23541	12.3
597.19830	89.4
598.20032	3.5
619.25067	1.0
629.22485	23.9
630.22607	1.3
637.26428	1.8
653.26587	1.2
663.25055	1.9
669.26007	1.0
681.25049	2.7
692.27728	1.0
697.25342	5.3
736.26105	3.4
748.25275	1.5
754.26233	1.3
792.30627	0.9
795.35632	3.6
797.32764	12.1
821.32391	1.8
829.35059	2.8
839.19354	1.5
839.33966	22.6
840.33246	2.3
865.31848	7.4
871.36554	1.0
883.33008	71.6
884.33411	5.8
915.35419	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	914.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05174	1.0
67.05506	12.8
69.03418	1.9
69.07065	7.1
71.04991	1.5
71.08633	19.1
71.59714	0.7
71.60136	0.7
73.02921	1.4
75.25272	0.6
79.05498	8.1
81.03420	57.1
81.07059	14.4
82.64066	0.7
83.04997	3.4
83.08628	18.6
85.02907	5.2
85.10189	12.1
89.05990	1.2
91.03941	3.0
91.05486	9.6
93.07047	5.5
95.04976	18.2
95.08609	17.7
97.02882	4.5
97.06489	0.7
97.10170	5.4
103.07581	0.9
105.06481	0.7
105.07043	8.7
107.04932	3.0
107.08598	2.5
109.06505	2.1
109.10164	8.7
111.04439	1.2
111.08091	4.1
111.11689	1.0
117.07010	1.4
119.04958	0.9
119.08585	7.7
121.06480	2.2
121.10119	3.6
123.04430	1.6
123.08035	1.3
123.11709	2.7
129.07011	5.3
131.08592	5.7
131.86569	0.7
133.06509	1.5
133.10167	4.0
135.08087	0.9
135.11681	0.7
137.09621	1.0
137.13249	0.9
142.07782	2.2
145.05002	1.6
145.10107	1.6
147.08054	2.2
147.11703	5.2
149.09622	3.9
157.10110	7.5
163.06013	2.7
163.11256	1.5
165.12747	1.5
175.11217	7.6
193.12250	23.2
203.14554	0.9
207.47717	0.7
211.13312	2.6
221.15430	0.9
228.11438	0.7
235.13200	1.6
239.23677	1.2
249.14835	1.8
257.24762	1.0
259.13376	1.6
267.15927	97.2
268.16235	2.3
273.14655	1.1
301.14423	1.9
309.16949	2.3
313.27371	100.0
314.27716	2.0
333.16989	0.8
505.38901	84.7
506.39102	3.8
523.39941	1.8
547.39954	6.8
555.40527	1.2
565.41516	0.7
601.40857	2.6
613.41064	1.5
631.42010	1.6
649.43329	1.1
776.70062	0.8
818.78082	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	913.6548
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16822	0.9
67.05508	4.1
69.03423	2.2
69.07076	4.0
69.55127	3.1
69.55554	3.2
73.02946	1.1
79.05494	4.6
81.03423	1.3
81.07056	7.4
81.85352	0.8
83.04969	1.2
83.08623	1.6
85.02910	1.5
91.05478	4.7
93.07045	7.9
95.04977	1.0
95.08611	10.4
97.02912	1.6
97.06532	1.6
105.07025	8.1
107.08611	10.7
109.10157	10.5
111.08140	1.0
117.07012	1.8
119.08595	16.5
121.06542	1.7
121.10138	9.8
121.19678	1.0
123.08095	1.6
123.11723	2.3
125.09661	1.6
131.08589	5.8
133.10149	11.4
135.08102	1.6
135.11705	4.6
137.13324	1.1
143.08614	3.0
145.06490	1.7
145.10139	9.2
147.08055	2.6
147.11719	8.2
149.09651	1.4
149.13232	4.5
157.10152	3.5
158.07315	1.6
159.08076	3.6
159.11694	9.2
161.09613	5.4
161.13264	3.2
163.11253	1.2
163.14861	1.2
164.13826	0.9
169.10129	2.4
171.08086	1.5
171.11662	5.9
172.08786	1.7
173.09706	5.3
173.13283	6.7
175.11179	2.5
175.14813	5.6
177.12802	1.5
177.16422	2.2
183.11674	6.0
185.09598	1.3
185.13271	2.4
186.10402	3.1
187.11217	3.4
187.14815	5.6
189.12714	1.4
189.16379	2.0
197.13257	4.2
199.11182	7.3
199.14883	1.9
201.12769	25.3
201.16440	1.6
203.14336	29.2
203.18048	1.2
205.15889	6.3
208.12598	1.1
211.14787	2.1
213.16377	4.7
215.14334	16.3
215.17833	5.1
217.15918	3.5
223.14841	2.8
225.16356	2.2
231.17429	12.0
233.19008	4.4
249.16341	1.0
249.18591	5.1
264.38971	0.9
290.20493	1.0
359.27481	1.6
395.29230	2.0
403.30038	2.2
405.13641	1.2
421.31082	6.9
439.32101	100.0
440.32465	2.7
491.26447	1.3
653.30750	1.8
663.28284	1.3
913.47552	21.3
914.47498	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	909.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.3
67.05508	2.9
69.03442	4.3
69.07076	0.9
71.01377	0.5
71.05003	0.4
71.59538	0.3
73.02924	3.7
79.05504	2.6
81.03418	2.8
81.07063	3.0
83.04957	0.6
83.08634	1.1
85.02910	6.5
87.04488	0.5
91.03971	3.7
91.05486	2.2
93.07047	2.8
94.07374	0.3
94.08944	0.3
94.50182	0.3
95.04983	0.6
95.08626	3.0
97.02895	6.1
97.03498	0.3
99.04493	0.8
103.03945	0.4
105.07051	1.1
107.08600	1.4
109.02906	1.2
109.10196	1.0
117.07021	0.4
119.08618	1.0
121.10187	1.0
123.08055	0.3
127.03912	1.5
129.07080	0.3
131.08607	1.2
132.23418	0.3
133.10153	1.0
135.11722	0.4
145.04991	0.4
145.10188	0.6
147.11734	0.5
157.10155	0.3
185.04265	0.8
193.12312	0.5
196.58827	0.3
203.05344	0.6
243.08392	1.9
251.12746	0.6
251.84227	0.3
259.07901	0.3
271.63174	0.3
335.25928	0.7
347.09561	2.0
365.10861	1.0
405.13724	5.5
469.20605	3.7
519.29315	4.0
631.25885	2.9
681.34540	6.3
681.44495	0.2
747.43323	1.4
763.76807	0.3
909.48260	100.0
910.48590	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	906.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.8
67.05509	35.5
69.03419	4.1
69.07075	14.7
71.04980	3.1
71.59733	2.1
73.02930	1.8
79.05498	21.9
79.48994	1.2
81.03421	33.7
81.07059	40.8
83.04984	8.4
83.08621	19.5
85.02426	1.5
85.02914	22.6
85.06537	1.7
91.03979	6.1
91.04967	2.3
91.05488	28.7
93.07057	19.0
95.04971	15.9
95.08614	28.3
97.02889	7.4
97.06531	3.9
97.10152	3.8
100.75432	1.3
105.04615	1.2
105.07044	17.6
107.04945	4.6
107.08592	9.4
109.06534	3.2
109.10153	12.1
111.04442	1.1
111.08088	5.9
113.06042	1.6
117.03439	1.7
117.06985	2.2
119.08585	15.0
121.10143	10.1
123.08049	1.6
123.11684	3.3
127.03909	3.1
129.06996	5.5
131.08589	7.2
133.06523	2.1
133.10141	9.9
135.04382	3.6
135.11700	2.6
137.09576	1.8
137.13286	2.3
145.02834	1.7
145.04936	2.8
145.10060	2.4
147.08055	2.8
147.11696	11.8
149.09586	3.7
149.13266	2.0
157.10121	10.2
159.11766	1.4
163.03937	16.1
163.06036	2.5
163.11339	1.2
163.14793	1.4
164.04233	1.9
165.12791	2.6
175.11197	8.4
175.14810	1.5
193.12270	25.7
211.13330	42.0
220.82768	1.4
229.14589	1.4
245.22794	1.5
262.93491	1.2
263.23621	2.7
267.15979	11.0
285.16980	61.3
337.27393	48.2
489.35580	2.1
529.38953	12.9
547.39966	100.0
548.40295	3.0
759.26953	1.5
796.27838	1.7
906.50195	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	905.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02383	0.8
65.03928	0.6
67.05167	0.5
67.05505	6.6
69.07053	1.5
70.02303	1.6
75.59005	0.3
79.05499	6.3
81.03405	1.9
81.07062	7.3
82.07352	0.4
83.04979	0.6
83.08628	1.8
85.02921	0.6
85.06551	0.4
89.03402	0.7
89.03923	10.6
91.05486	5.6
93.07046	5.3
94.66780	0.4
95.04953	1.8
95.08620	4.3
97.10185	0.7
98.21439	0.4
103.05479	0.4
105.04512	0.3
105.07030	3.4
107.04955	3.5
107.08595	3.1
109.06516	0.5
109.10166	2.0
111.08027	0.5
115.05456	0.8
117.03386	10.7
117.07018	1.5
119.04957	0.4
119.08587	2.5
121.06484	0.4
121.10135	2.3
123.04435	6.2
123.11679	0.6
129.06996	1.4
130.87547	0.4
131.04985	0.5
131.08569	2.0
133.10152	2.4
135.04427	24.0
135.11729	1.9
136.04813	0.4
137.05969	0.8
139.03917	0.5
141.06958	0.8
143.04951	0.5
143.08609	0.6
145.02856	14.2
145.06505	0.6
145.10150	1.5
147.04373	1.0
147.11772	1.8
149.05980	0.9
149.09628	0.6
149.13255	0.6
153.07042	0.6
155.08549	0.6
157.06548	0.8
157.10185	0.8
159.08148	0.4
159.11679	0.9
161.05962	1.7
161.13286	1.2
163.03914	100.0
163.14818	0.4
164.04260	1.5
165.05516	6.4
165.06898	0.6
167.08629	0.7
169.06476	1.2
169.10121	0.3
171.08043	0.7
171.11646	0.5
173.04620	0.4
173.05997	4.8
173.13208	0.7
175.07544	1.5
175.11192	0.3
175.14951	0.3
177.05466	0.7
179.08597	0.4
181.04999	0.7
181.06512	1.9
181.10152	0.5
183.08128	0.8
185.05980	1.1
186.05515	1.0
187.06059	0.5
187.07581	3.9
189.05470	1.2
189.09146	0.5
193.06471	0.5
193.12228	0.9
194.07188	0.4
195.08063	1.4
197.05989	2.6
197.09602	0.6
199.07539	4.2
201.05467	0.6
201.09143	0.8
203.07027	1.1
207.08040	1.0
209.09668	0.6
211.07562	1.4
211.11354	0.4
211.13318	1.0
212.13596	0.4
213.05478	1.1
213.09190	1.4
215.07030	2.0
215.10641	0.5
223.07610	0.9
223.11195	0.6
225.05518	1.3
225.09102	0.9
227.07100	1.4
227.10649	0.5
229.08577	0.5
229.12344	0.4
235.05876	0.4
237.07439	0.8
239.07016	0.7
241.08569	0.5
241.19626	0.5
243.21005	0.5
259.20688	1.6
261.22168	1.6
263.14270	0.7
265.12253	0.5
267.16052	0.5
277.21597	0.5
281.15408	1.2
285.16968	0.9
291.13837	0.9
299.16379	0.4
301.14407	0.5
309.14847	3.7
325.14365	0.4
327.15955	3.8
333.24347	0.8
335.25836	4.4
336.26163	0.9
337.14377	2.2
345.17102	1.0
355.15411	1.4
373.16351	0.8
377.24823	0.5
381.24454	0.6
383.18478	0.5
395.25784	0.7
401.19763	0.5
405.24139	0.5
411.18274	0.4
413.26718	0.5
421.23682	0.4
423.25317	3.7
429.19077	0.8
441.26495	1.1
447.19864	1.1
465.21121	0.7
497.29102	4.2
527.36755	0.5
528.38153	0.4
545.38159	1.5
546.39014	2.3
609.22644	0.7
627.24622	1.7
629.26080	0.5
661.41296	0.6
679.41821	0.5
707.41193	1.1
725.42706	2.4
841.44208	0.5
869.43427	0.4
887.45435	1.8
905.45764	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	904.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35892	0.6
65.03934	2.8
67.05509	49.4
69.03436	5.4
69.06723	1.0
69.07071	12.5
70.74033	1.8
71.05008	4.8
73.02930	4.3
79.05499	40.0
81.03423	56.2
81.07063	48.8
83.04982	12.6
83.08624	22.2
85.02911	34.0
85.06542	2.5
91.03965	8.4
91.05489	35.6
93.07053	37.3
95.04362	0.9
95.04979	23.4
95.08614	31.1
97.02904	9.1
97.06515	3.7
97.10172	4.4
99.04462	1.3
99.08092	1.8
99.29210	0.7
105.07040	24.0
107.04968	6.3
107.08601	18.8
109.06528	4.4
109.10162	12.5
111.04434	3.0
111.08093	9.4
111.66545	0.7
113.06002	1.8
115.05485	1.2
117.03430	0.9
117.07021	4.9
119.07780	1.4
119.08593	19.8
121.06504	1.8
121.10146	17.1
121.44247	0.7
123.08090	2.8
123.11716	4.0
125.09639	2.1
127.03916	3.5
129.06995	10.1
131.08577	14.5
133.06468	1.6
133.10136	13.1
135.04459	1.5
135.08130	0.7
135.11710	8.1
137.09644	1.8
137.13228	0.9
142.07817	2.7
143.08522	1.0
145.02817	1.0
145.04994	2.9
145.10141	5.8
147.08047	2.7
147.11699	17.6
149.09648	4.5
149.13274	2.9
151.11183	0.7
155.08540	0.8
157.10129	13.4
159.11674	4.8
161.13272	2.9
163.03935	5.7
163.05984	3.6
163.14810	2.8
165.12790	2.8
171.11699	1.3
173.13315	2.6
175.11214	13.6
175.14897	1.0
185.13348	0.8
187.14816	1.3
193.12256	39.9
201.16440	0.8
211.13313	61.5
227.12822	1.7
243.21129	3.0
249.14954	0.8
249.80539	0.8
259.20572	1.4
261.22217	10.5
267.15933	14.5
285.16980	67.7
286.17456	1.4
317.24820	2.1
335.25830	63.0
336.26166	1.5
435.32709	2.8
441.29367	0.7
453.33951	1.5
523.59662	0.7
527.37366	13.9
545.38403	100.0
546.38538	3.9
563.39398	0.9
690.58862	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	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.4
67.05508	38.4
69.03431	4.0
69.07072	9.0
70.75710	0.9
71.04998	2.9
71.08606	0.5
73.02918	2.7
75.44883	0.4
77.03893	0.6
79.05497	30.7
81.03422	35.8
81.07059	40.8
83.04989	9.1
83.08623	15.1
85.02906	22.7
85.06504	1.8
85.72933	0.4
91.03955	6.4
91.04906	0.9
91.05480	27.1
93.07047	31.6
95.04379	0.8
95.04969	15.6
95.08610	27.7
97.02902	6.2
97.06551	3.1
97.10172	3.6
99.04415	1.2
99.08078	0.9
103.05447	0.5
105.04550	0.6
105.07033	20.6
107.04973	4.0
107.08596	16.8
109.02883	0.6
109.06519	3.3
109.09472	0.7
109.10163	10.6
111.04410	1.2
111.08088	5.4
113.05981	1.5
115.03876	0.5
115.05418	1.2
117.06997	3.8
119.04877	0.7
119.08583	17.7
121.06491	0.9
121.10147	16.0
123.08041	1.4
123.11723	3.6
125.09612	1.1
127.03920	2.2
127.07519	0.5
128.06212	0.5
129.07019	7.0
131.08580	10.5
133.06458	2.1
133.10138	11.2
135.08025	0.6
135.11699	7.3
137.09586	1.4
137.13254	1.4
141.06914	0.5
142.07764	1.7
143.08501	0.7
145.04950	2.0
145.10129	5.9
147.08020	1.8
147.11685	11.1
149.09637	4.4
149.13251	3.2
153.12708	0.4
155.08548	0.6
157.10146	8.8
159.11693	3.6
161.13252	2.5
163.03912	0.9
163.06035	2.5
163.11171	1.0
163.14766	1.5
165.12772	1.5
171.11629	0.6
173.13249	2.6
175.11172	9.1
175.14780	0.8
187.14806	1.4
193.12253	23.2
201.16400	0.7
211.13297	34.3
212.13672	0.5
217.31035	0.4
227.12811	0.9
229.14304	0.6
235.10876	0.4
243.21149	2.7
261.22174	8.4
267.15912	10.5
267.18604	0.9
283.15363	0.7
285.16971	42.1
286.17297	0.9
301.25104	0.9
317.24719	1.8
335.25812	64.9
336.26163	1.7
339.88202	0.4
385.17957	0.5
417.31113	0.6
435.32706	1.8
453.33798	2.1
471.34573	0.9
509.36179	1.0
517.39587	0.5
527.37354	11.9
545.38385	100.0
546.38879	4.5
563.40222	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	903.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94662	0.3
65.03937	0.9
67.05505	0.5
69.45162	2.6
70.06631	0.3
76.21889	0.3
78.58228	0.4
79.05492	1.3
80.05029	0.5
84.13514	0.3
89.03928	1.4
91.05492	1.2
92.05013	0.4
93.07041	1.1
93.37856	0.3
94.06580	2.7
95.04971	0.3
98.18822	0.3
103.05467	1.2
105.05764	0.3
108.08121	2.9
116.04988	6.1
118.06576	0.8
119.28866	0.3
120.04469	2.2
120.08113	6.5
122.06043	15.3
124.07597	1.4
132.08080	0.5
134.06056	0.8
136.07588	17.2
138.05528	0.7
138.09123	0.6
144.04449	10.8
146.06010	2.5
147.04425	0.4
148.03966	2.4
148.07584	15.2
158.06105	0.4
160.03946	0.8
160.07533	0.6
162.05515	5.5
163.03967	0.7
164.07112	2.1
166.04994	0.7
166.08665	0.7
168.11812	0.4
172.03944	53.7
173.04289	1.1
174.05476	1.6
180.06546	0.4
186.05499	0.7
190.05011	7.1
196.09958	0.4
197.10747	0.5
204.06573	100.0
205.06856	1.8
207.09186	0.4
208.09880	0.7
209.10597	0.4
211.08707	0.8
220.41711	0.3
222.07678	0.5
223.08646	0.6
223.12334	1.4
224.09253	0.5
225.10252	1.0
227.11806	0.7
233.10719	0.4
234.09241	0.7
235.08673	0.9
236.05554	0.7
236.09454	2.3
237.10199	0.9
239.08162	0.4
239.11829	0.5
240.08940	0.4
249.10339	0.6
250.11014	0.8
251.08124	0.7
251.11826	4.1
252.08752	3.3
253.09749	0.5
255.11269	1.0
263.08102	0.9
264.08920	2.1
265.09634	1.0
275.08051	0.5
277.09808	0.7
278.10501	1.1
279.08133	0.6
279.11273	6.6
280.08365	0.8
281.09198	1.5
281.11948	0.4
283.10779	2.6
289.09674	0.4
291.07669	0.8
292.08316	0.7
293.08997	0.6
295.10663	0.6
296.11295	0.4
297.08704	0.9
297.12369	1.4
301.11935	0.5
303.07767	0.5
305.09177	0.8
307.10764	5.2
309.08658	0.4
311.10504	0.7
311.13922	2.5
321.08917	0.5
323.10306	1.9
324.10794	0.3
325.11914	3.0
331.07065	0.5
333.08752	0.9
339.13409	29.0
340.13736	1.0
343.07361	0.5
343.12726	0.6
346.15387	0.4
349.08066	0.5
357.14716	0.7
359.12161	0.5
363.09845	0.9
367.12900	1.3
369.10898	0.9
370.15784	0.4
375.09741	0.8
383.12653	0.4
387.11728	1.6
393.10577	0.4
398.15036	0.5
399.15430	0.4
411.11896	15.9
412.12408	0.8
415.15158	1.1
429.12939	4.5
440.15961	0.4
443.14529	20.9
444.14923	0.6
458.17282	0.4
461.15921	0.4
488.18250	0.4
495.13730	0.4
530.15723	0.7
562.18457	0.7
572.42938	0.4
588.15643	0.5
598.28979	0.4
600.15930	0.6
602.17517	1.2
614.17578	1.4
620.18994	0.4
632.18744	0.4
638.89032	0.4
646.19946	1.0
665.22858	0.6
701.23987	1.1
749.23303	0.5
769.22864	1.1
853.24084	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	902.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.3
67.05509	32.8
69.03416	3.0
69.07066	8.3
70.16878	1.2
70.17295	2.0
71.05003	3.5
73.02910	3.8
79.05497	33.6
79.05962	1.7
81.03425	9.5
81.07062	37.7
83.01341	6.1
83.04981	9.0
83.08632	12.0
85.02412	1.3
85.02905	16.2
85.06520	1.7
88.33697	0.7
91.03967	10.5
91.05486	19.1
93.07048	35.9
95.04969	6.9
95.08614	25.6
97.02907	9.3
97.06544	4.0
97.10164	3.7
98.21475	0.8
99.04451	3.2
99.08112	0.9
103.05423	1.3
105.04534	0.9
105.06388	1.0
105.07041	13.7
105.60159	0.6
107.04967	7.0
107.08601	20.8
109.02856	0.8
109.06547	5.3
109.10164	9.5
111.04459	1.7
111.08088	2.4
117.07027	8.7
119.08575	12.9
121.06500	2.5
121.10152	15.4
123.08067	6.4
123.11707	3.0
125.05945	1.0
125.09658	4.1
127.03962	3.4
129.06989	1.6
130.07774	1.5
131.08577	10.1
133.10138	7.8
135.08041	1.6
135.11705	17.0
137.09633	1.2
137.13295	0.9
143.08539	1.7
145.04958	5.2
145.10132	17.5
147.08026	1.8
147.11705	4.6
149.09637	1.0
149.13275	4.1
153.12747	2.7
155.08582	1.5
159.11716	5.4
161.13266	2.5
163.06032	5.7
163.11198	18.8
163.14822	2.4
171.11685	1.2
173.09659	2.1
173.13185	3.9
175.14818	1.2
181.12268	3.4
187.14822	2.0
189.11229	2.5
191.10689	2.7
193.12254	1.3
199.14885	0.9
201.16425	1.1
209.11746	7.3
210.53140	0.7
211.13223	1.4
227.12769	12.0
243.21089	4.7
245.13658	0.7
259.20615	2.5
261.22183	15.7
267.16119	1.7
277.21545	1.2
282.94501	0.9
283.15411	100.0
284.15723	2.8
285.17133	0.7
299.23651	4.6
317.24747	5.7
333.24170	1.4
335.25821	63.0
336.26138	1.9
339.23032	0.9
373.27374	0.7
399.94659	0.7
433.30807	3.1
451.31973	3.8
469.32974	3.7
487.34070	1.2
515.37183	1.5
525.35846	7.9
543.36823	58.7
544.37158	3.3
561.38123	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	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03898	2.0
67.05507	45.6
69.03433	4.5
69.07071	10.6
70.62406	0.6
71.01336	1.2
71.04955	3.7
71.08616	0.9
73.02922	3.9
79.05495	41.4
81.03419	10.3
81.07061	48.4
83.01344	6.0
83.04989	8.9
83.08615	12.7
85.02907	20.7
85.06501	1.8
91.03961	9.8
91.05485	23.3
93.07048	49.1
95.04974	7.2
95.08611	38.0
95.09232	1.2
96.04449	0.9
96.46980	0.7
97.02899	12.2
97.06528	4.8
97.10160	5.2
99.04478	3.8
99.08055	1.0
103.03928	0.8
105.04510	1.0
105.06396	1.2
105.07035	18.2
107.04961	5.8
107.08601	28.5
109.06526	6.4
109.09457	0.9
109.10159	14.5
111.04413	2.6
111.08041	2.6
111.11674	0.8
115.03925	0.7
116.06320	0.6
117.06235	0.6
117.07021	11.3
119.07816	1.0
119.08585	15.2
121.06505	3.2
121.09324	1.1
121.10147	21.4
123.08083	7.8
123.11710	5.1
125.05968	1.8
125.09605	3.3
127.03900	4.1
128.06210	0.9
129.06982	1.9
130.07770	1.2
131.08571	11.6
133.10130	9.9
135.08040	2.6
135.10695	1.2
135.11699	18.5
137.09607	1.4
137.13214	1.5
139.07529	1.2
143.08589	1.5
145.04958	5.8
145.06075	0.7
145.06511	0.6
145.10124	19.8
147.08008	1.8
147.11682	7.3
149.09618	1.5
149.13266	6.3
151.11072	0.6
151.14969	0.6
153.12746	3.2
155.08585	1.2
157.10144	1.3
159.11711	6.8
161.09564	0.8
161.13269	4.5
163.03925	1.6
163.06049	6.5
163.11195	19.0
163.14821	2.6
165.16408	0.7
171.07997	0.9
171.11655	1.3
173.09602	2.6
173.13255	4.9
175.14777	1.5
181.12196	3.2
183.11705	1.0
184.86932	0.6
185.13249	1.2
187.14896	3.5
189.11189	3.4
191.10666	2.0
193.12282	1.2
197.13252	0.8
201.16298	1.1
209.11700	6.9
211.13243	1.7
227.12798	11.5
233.22667	0.9
237.16295	0.7
243.21057	6.0
245.13809	0.8
259.20547	2.8
261.22162	22.6
267.15915	2.5
277.21701	0.7
283.15411	100.0
284.15674	1.6
299.23718	5.8
317.24860	5.4
333.24390	3.0
335.25815	96.3
336.26175	3.0
375.13525	0.7
396.40051	0.8
433.31143	2.9
451.32227	4.1
452.72659	0.7
469.33005	3.3
487.34082	2.1
515.37396	1.4
522.22443	0.6
525.35645	7.4
543.36816	91.9
544.37561	3.5
561.37897	5.7
626.81268	0.8
888.82550	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	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.4
67.05512	30.8
69.03407	0.9
69.07071	6.7
70.66185	1.1
70.66518	1.1
71.04958	1.5
73.02895	0.9
77.03902	0.7
78.02020	0.6
79.05500	29.3
81.03431	1.5
81.07062	32.9
83.04945	2.8
83.08627	6.6
85.02908	3.1
91.03961	1.6
91.05489	12.5
93.07054	39.8
93.99925	0.8
95.04974	5.4
95.08614	38.1
97.02894	4.0
97.06500	2.8
97.10179	1.4
99.04431	2.0
101.02290	0.7
105.07035	10.3
107.04949	4.4
107.08605	25.2
109.06484	1.6
109.09464	0.8
109.10162	9.7
111.04425	1.0
111.08050	1.5
117.07029	7.0
119.08589	11.0
121.06525	4.1
121.09329	0.8
121.10151	15.5
123.08028	1.4
123.11662	2.8
125.05950	2.7
129.06976	0.8
130.07800	1.5
131.08589	3.5
133.10164	5.0
135.08032	1.4
135.11707	36.4
136.12059	1.2
137.09598	0.8
139.07500	1.3
139.11230	0.9
143.08577	1.0
145.09044	1.1
145.10133	21.9
147.11670	3.1
149.13208	2.8
153.12749	0.9
159.11682	1.8
161.13220	1.9
163.03957	1.5
163.11195	42.7
163.14720	1.2
180.70541	0.6
181.12234	6.8
187.14691	0.8
209.11752	1.6
227.12798	47.7
233.79037	0.8
243.21121	2.1
261.22162	8.4
271.16071	0.6
283.15421	56.2
284.15659	1.0
299.23639	1.0
317.24796	3.0
335.25824	100.0
336.26111	2.4
339.27646	0.7
375.48416	0.9
498.79391	0.7
518.09222	1.0
543.36841	98.2
544.37256	2.5
547.96594	0.7
570.82428	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	900.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11729	0.7
65.03940	1.8
65.47588	0.6
67.05508	35.0
67.19698	0.6
69.03432	1.3
69.07070	7.5
70.39655	0.5
70.79276	1.7
71.04989	1.7
71.15557	0.5
73.02895	1.1
73.06553	0.6
79.05496	34.9
81.03410	4.4
81.07059	28.5
83.04988	5.0
83.08616	4.3
85.02909	2.4
85.06530	0.9
91.03955	2.3
91.05485	25.2
93.07048	37.0
95.04967	8.1
95.08609	24.6
97.02900	1.9
97.06556	2.5
97.10171	1.7
104.10433	0.6
105.04530	1.2
105.07030	18.0
107.04967	3.5
107.08593	14.4
108.83969	0.6
109.06530	2.0
109.10152	7.5
111.08083	0.9
117.07038	5.1
119.08593	13.3
121.06538	0.9
121.10168	8.5
123.08022	3.2
123.11732	2.0
125.09627	1.2
127.03936	1.2
127.07562	1.0
128.06213	1.2
129.06995	6.3
131.08566	3.5
133.06543	0.8
133.10150	7.3
135.11691	5.1
140.41505	0.7
141.64316	0.6
143.08565	3.1
145.10110	5.9
147.11693	12.4
149.13297	2.1
159.11713	2.0
161.09666	1.8
161.13263	4.9
171.11694	8.8
173.13278	1.3
175.14983	1.2
178.10199	0.6
189.11327	0.7
189.12689	3.4
207.13814	10.8
243.21184	1.0
261.22174	3.8
277.33206	0.6
281.17471	27.1
301.16617	1.2
302.16977	0.6
313.27475	1.2
317.24789	0.8
335.25790	37.1
336.26297	1.2
339.12283	0.6
449.34354	0.8
541.38922	100.0
542.39282	5.2
559.40131	1.6
913.57214	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	899.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.5
67.05476	0.4
70.77920	0.6
70.78245	0.3
79.05494	0.8
87.02342	0.3
89.03928	1.1
91.05474	0.5
92.05044	0.3
93.07054	0.5
94.06583	1.3
104.61172	0.3
107.08588	0.4
108.08130	1.3
109.02899	0.3
109.06529	0.2
116.04975	4.9
118.06528	0.3
119.08602	0.3
120.08121	2.1
120.78510	0.2
121.16638	0.3
122.06036	13.2
127.03899	0.4
133.10130	2.5
134.05905	0.4
136.07585	12.4
137.09592	1.5
138.05528	0.6
138.38664	0.3
144.04456	10.2
146.05975	1.4
147.04459	0.4
148.03918	0.8
148.07585	5.5
152.07133	0.4
160.03957	0.3
160.07559	0.3
162.05515	4.8
163.03883	0.4
164.07080	0.4
166.05052	0.3
172.03943	54.6
173.04358	0.7
174.05516	1.1
175.14748	0.4
190.05008	3.5
191.14301	1.8
204.06572	100.0
205.06952	1.4
209.15442	0.4
223.12320	0.7
229.40332	0.3
234.09253	0.3
236.09425	0.7
250.11015	0.4
251.11858	1.6
252.08580	0.7
264.08908	0.7
278.10373	0.4
279.11252	2.7
283.10742	0.6
297.12555	0.3
307.10715	1.9
311.13916	2.0
325.11813	1.2
339.13412	26.4
340.13763	0.8
399.15222	0.3
411.11865	5.1
415.14822	1.0
429.12854	0.8
443.14526	14.9
591.18518	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	889.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02381	0.7
65.03943	0.2
67.05508	4.0
69.03452	0.3
69.07079	1.3
69.38063	0.7
69.38473	1.2
77.03922	0.3
79.05495	3.7
81.03391	0.4
81.07063	3.8
83.08628	0.6
89.03924	9.8
91.05473	1.6
93.07030	1.7
95.04972	0.7
95.08617	2.3
105.07027	0.8
107.04964	2.7
107.08589	1.0
109.10184	1.1
115.05430	0.3
117.03387	10.0
117.06971	0.3
119.08613	0.5
121.10136	0.6
123.04413	1.6
123.11702	0.2
123.37854	0.2
129.07002	0.4
131.08540	0.5
133.10146	0.5
135.04425	22.6
135.11697	0.5
136.04691	0.3
138.84091	0.2
141.06924	0.3
145.02859	14.0
145.06497	0.3
145.10098	0.3
147.04422	0.3
147.08049	0.2
147.11703	0.6
149.05994	0.3
153.07059	0.4
155.08566	0.3
157.06506	0.5
161.05972	0.8
161.13330	0.2
163.03914	100.0
164.04211	1.6
165.05511	0.7
165.30132	0.2
167.08559	0.4
169.06471	0.6
171.08142	0.4
173.05997	1.2
175.07550	0.2
177.05423	0.4
177.09099	0.3
178.07901	0.2
179.08542	0.2
181.06497	1.5
181.10104	0.3
183.08012	0.4
185.06046	0.3
186.05536	0.6
187.07574	1.4
189.09074	0.3
193.06537	0.3
195.08145	0.5
197.06007	1.6
197.09589	0.3
199.07550	2.0
201.05502	0.3
201.09044	0.3
203.10484	0.2
207.08167	0.3
209.09621	0.4
211.07515	0.7
213.05476	0.4
213.09134	0.7
215.07043	0.5
217.12204	0.2
221.09659	0.4
223.07564	0.5
225.05490	1.0
225.09067	0.3
227.07034	0.6
237.07535	0.7
263.14435	0.3
281.15469	0.7
291.13782	0.6
309.14865	2.2
311.16470	0.4
319.13086	0.3
325.14929	0.2
327.15854	2.1
335.25943	0.5
337.14316	1.6
337.27390	2.0
355.15482	1.1
365.17703	0.3
383.18478	0.6
383.25861	0.3
401.19519	0.6
401.26453	0.3
411.17908	0.4
425.26898	0.9
429.18814	0.9
447.20282	0.7
497.28708	0.3
499.30490	4.0
553.36627	0.3
609.23480	1.6
663.42133	0.5
709.43213	1.7
871.45880	0.5
889.47498	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	887.458
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01606	0.1
63.02104	0.1
63.02374	0.7
65.03948	0.3
67.05510	2.8
69.03423	0.2
69.07078	0.8
69.56135	0.1
71.04990	0.2
71.60112	0.2
77.03947	0.1
79.05051	0.2
79.05500	4.0
81.03429	0.4
81.07063	2.6
83.04990	0.1
83.08627	0.5
89.03922	10.2
90.04289	0.1
91.05486	2.2
93.07050	2.4
95.02498	0.1
95.04974	1.1
95.08608	2.0
97.06551	0.2
97.10201	0.2
103.05499	0.2
105.04517	0.1
105.07033	1.2
107.04965	2.8
107.08611	1.4
109.06522	0.1
109.10152	0.7
115.05469	0.3
117.03391	10.9
117.07028	0.7
118.03674	0.2
119.04958	0.1
119.08582	0.9
121.10144	0.9
123.04434	1.4
123.08089	0.2
123.11700	0.2
128.06264	0.2
129.07025	0.7
131.04823	0.2
131.08591	0.6
133.10136	0.6
135.04427	23.7
135.11713	0.5
136.04756	0.3
137.02373	0.1
137.05936	0.1
139.05501	0.2
141.06993	0.5
143.04953	0.2
143.08597	0.2
143.92056	0.1
145.02859	14.9
145.06525	0.4
145.10139	0.4
145.22906	0.1
147.04399	0.1
147.11694	0.4
149.05963	0.4
149.13264	0.1
151.11206	0.1
153.06998	0.5
155.08516	0.4
157.06491	0.6
157.10153	0.2
158.06026	0.4
159.11732	0.3
161.05939	0.7
161.13264	0.2
163.03914	100.0
164.04245	1.3
165.05525	0.5
165.07028	0.3
167.08600	0.4
169.06487	0.7
169.10138	0.3
171.08032	0.4
173.05981	1.6
173.13333	0.3
175.07541	0.4
175.14766	0.2
177.05461	0.3
177.09103	0.2
178.07794	0.2
179.08589	0.3
181.06488	1.3
181.10059	0.2
183.08069	0.5
183.11584	0.1
185.05981	0.4
186.05446	0.7
187.07559	1.2
189.05502	0.3
189.09125	0.2
191.08565	0.2
193.06567	0.2
193.10205	0.3
195.08101	0.7
197.06015	2.2
197.09595	0.3
199.07544	2.4
201.05496	0.3
201.09119	0.5
203.07010	0.2
207.08075	0.5
209.06064	0.3
209.09647	0.3
209.13330	0.1
211.07562	0.7
213.05457	0.4
213.09113	0.7
215.07066	0.5
215.10660	0.2
217.10205	0.2
219.08086	0.3
219.11591	0.1
221.09663	0.3
222.10464	0.2
223.07545	0.4
223.10884	0.1
225.05463	0.9
225.09161	0.4
226.06088	0.2
227.06989	0.6
227.10664	0.3
231.07994	0.2
233.09798	0.1
235.07675	0.2
235.11211	0.2
235.14925	0.2
237.07558	0.5
239.07004	0.3
239.10760	0.2
241.12117	0.2
241.19490	0.2
243.06450	0.2
243.21097	0.2
245.13268	0.1
248.08226	0.1
249.12802	0.2
252.71895	0.1
253.08499	0.2
253.12332	0.1
255.13914	0.2
259.20612	0.4
261.22098	0.5
263.14282	0.5
267.13739	0.2
273.12726	0.2
281.15430	0.6
283.13324	0.3
285.69293	0.1
291.13837	0.4
293.15311	0.2
305.14072	0.2
309.14896	2.1
311.16333	0.3
317.24838	0.1
319.13144	0.3
325.14352	0.1
327.15958	2.1
329.13818	0.1
329.17493	0.2
333.24216	0.2
335.25803	1.6
337.14349	1.1
339.15964	0.2
355.15448	0.8
357.17093	0.2
365.17487	0.2
367.18869	0.1
373.16434	0.3
383.18262	0.4
393.16711	0.2
395.25946	0.3
399.25485	0.2
401.19379	0.4
405.24335	0.1
411.18076	0.3
421.23645	0.2
423.25363	0.8
429.19196	0.8
447.19946	0.5
495.27148	0.2
497.22516	0.2
497.29025	2.9
498.29050	0.2
551.35040	0.1
609.23352	1.2
615.36212	0.2
643.39526	0.1
661.40710	0.3
671.38165	0.1
679.41913	0.1
689.40137	0.3
707.41498	1.3
725.41901	0.3
869.44537	0.3
887.45746	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	887.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01602	0.2
63.02364	1.0
65.03947	0.5
67.05509	3.7
69.03436	0.2
69.07077	0.8
71.05003	0.2
71.60083	0.1
77.03973	0.3
79.05499	4.5
81.03427	0.3
81.07063	3.2
83.05013	0.2
83.08630	0.4
89.03922	10.4
90.04265	0.2
91.05486	2.7
93.07050	3.3
95.04967	1.0
95.08611	2.3
97.06535	0.2
97.10182	0.1
103.05464	0.2
105.04535	0.3
105.07034	1.6
107.04961	2.6
107.08601	1.4
109.06523	0.2
109.10168	0.8
111.04488	0.1
115.05471	0.3
117.03387	9.9
117.07039	0.6
118.03674	0.1
119.05002	0.1
119.08588	0.9
121.06545	0.1
121.10144	0.8
123.04427	1.1
123.08068	0.1
123.11685	0.2
125.09682	0.1
128.06242	0.3
129.07037	0.5
130.06610	0.1
131.04935	0.2
131.08580	1.0
133.10146	0.8
135.04425	21.5
135.11707	0.6
136.04773	0.2
137.05991	0.2
139.03874	0.1
139.05504	0.1
141.07010	0.4
143.04997	0.1
143.08575	0.3
145.02856	13.1
145.06474	0.3
145.10094	0.5
146.03227	0.2
146.06931	0.1
147.04443	0.3
147.08183	0.1
147.11697	0.5
149.05983	0.2
149.09636	0.1
149.13257	0.3
153.07037	0.3
154.07585	0.1
155.08545	0.3
157.01192	0.1
157.05377	0.1
157.06505	0.4
157.10161	0.3
158.06013	0.3
159.11717	0.3
161.06018	0.7
161.13226	0.2
163.03914	100.0
164.04242	1.4
165.05476	0.5
165.07022	0.3
167.08591	0.4
169.06493	0.4
169.10139	0.2
171.08067	0.4
171.11606	0.1
173.05981	1.4
173.13318	0.2
174.06726	0.1
175.07614	0.3
177.05492	0.2
178.07851	0.1
179.08528	0.2
181.06476	1.0
183.07991	0.5
183.11676	0.1
185.05986	0.3
186.05453	0.7
187.07520	1.0
187.14845	0.2
189.05492	0.2
189.09167	0.2
193.10248	0.2
195.08145	0.6
197.06010	1.8
197.09612	0.3
197.13272	0.1
199.07542	1.7
201.05478	0.3
201.09123	0.3
203.08716	0.1
207.08098	0.5
209.06068	0.1
209.09631	0.2
211.07550	0.7
213.05470	0.4
213.09116	0.5
213.91785	0.1
215.07140	0.6
215.10710	0.1
219.11786	0.1
221.09795	0.2
223.07591	0.4
225.05498	0.7
225.09161	0.4
226.06372	0.1
227.07074	0.5
227.10585	0.1
231.07993	0.1
233.09677	0.1
235.11043	0.1
235.14836	0.1
237.07480	0.2
237.09514	0.1
239.06973	0.2
239.10620	0.2
241.08647	0.1
241.12193	0.1
243.06596	0.2
245.13264	0.1
247.11127	0.1
249.09204	0.2
249.12758	0.2
251.10629	0.1
251.14293	0.1
253.08669	0.2
259.20502	0.3
261.22083	0.6
263.14294	0.4
273.12689	0.2
281.15338	0.5
283.13327	0.1
291.13736	0.4
293.15338	0.2
299.16364	0.2
309.14859	1.7
311.16400	0.4
317.24594	0.1
319.13193	0.2
323.16272	0.1
327.15924	1.6
333.24139	0.1
335.25821	2.2
335.29419	0.1
337.14374	1.4
337.18195	0.2
355.15454	0.7
355.19165	0.1
365.17413	0.2
373.16498	0.2
381.24344	0.1
383.18515	0.4
387.85193	0.1
395.25742	0.2
401.19305	0.3
411.17987	0.2
413.26663	0.1
421.23639	0.3
423.25333	0.8
429.19168	0.7
447.20065	0.3
462.09857	0.1
495.26959	0.2
497.22391	0.2
497.29041	2.2
505.02066	0.1
563.22528	0.1
569.36084	0.1
575.74438	0.1
609.23016	0.8
643.12427	0.1
643.22961	0.1
643.39618	0.2
661.41107	0.2
679.41168	0.1
689.40240	0.2
707.41504	1.0
725.41913	0.2
862.40472	0.1
869.43787	0.3
887.45685	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	887.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02358	0.8
65.03962	0.2
67.05513	2.8
69.07085	0.8
70.20704	0.3
70.21107	0.2
71.04987	0.2
77.03969	0.1
79.05502	4.1
79.05962	0.2
81.03411	0.2
81.07065	2.4
83.08630	0.5
85.06596	0.2
89.03925	11.5
91.05490	2.0
93.07056	2.6
95.04980	1.0
95.08619	2.0
97.10188	0.2
103.05455	0.2
105.04544	0.2
105.07041	1.1
107.04968	3.0
107.08620	1.2
107.24283	0.1
109.10158	0.8
115.05508	0.2
117.03392	10.5
117.07047	0.6
119.08600	0.8
121.10156	0.7
123.04433	1.3
123.08100	0.2
123.11691	0.2
128.06252	0.2
129.07031	0.7
129.45250	0.1
131.04906	0.1
131.08594	0.9
133.10139	0.7
135.04430	24.7
135.11700	0.5
136.04755	0.3
137.06049	0.3
141.07001	0.5
143.04987	0.1
143.08569	0.2
145.02861	15.0
145.06520	0.4
145.10130	0.4
147.04433	0.3
147.11690	0.5
149.05981	0.3
149.13304	0.3
153.07016	0.5
155.04936	0.1
155.08574	0.4
157.06528	0.6
157.10112	0.2
158.06076	0.2
159.08073	0.1
159.11687	0.4
161.06007	0.5
161.13289	0.3
163.03920	100.0
164.04237	1.3
165.05504	0.5
165.07022	0.3
167.04918	0.3
167.08611	0.4
169.06505	0.6
169.10146	0.1
171.08084	0.5
173.05989	1.5
173.13344	0.1
175.07541	0.4
177.09073	0.2
179.08578	0.4
181.06503	1.3
183.07973	0.6
183.11635	0.1
185.06012	0.4
185.09659	0.2
185.13243	0.2
186.05544	0.5
187.07613	1.4
189.05464	0.4
191.08617	0.1
193.10167	0.2
194.07410	0.2
195.08109	0.6
197.06009	2.7
197.09691	0.2
198.06509	0.2
199.07559	2.9
199.14803	0.2
201.05516	0.2
201.09079	0.4
203.07062	0.2
205.06529	0.2
205.10103	0.2
207.08096	0.6
208.08783	0.1
209.05991	0.2
209.09636	0.4
210.06827	0.1
211.07555	0.7
212.08195	0.1
213.05481	0.6
213.09122	0.6
215.07016	0.5
215.10609	0.1
219.08199	0.2
219.11696	0.2
221.09712	0.3
223.07533	0.4
223.11227	0.2
225.05515	1.0
225.09158	0.3
226.06367	0.2
227.07047	0.6
227.10638	0.3
227.54288	0.1
231.07961	0.2
233.09662	0.1
235.07742	0.2
235.14919	0.2
237.07567	0.4
237.12820	0.2
239.10815	0.2
241.08452	0.2
241.12306	0.1
241.19476	0.2
243.06516	0.1
243.21144	0.2
244.91049	0.1
247.11169	0.3
249.12744	0.3
251.10568	0.2
253.15927	0.2
255.13858	0.2
259.20569	0.4
261.22269	0.6
263.14310	0.5
265.12250	0.2
267.13834	0.2
273.12659	0.3
281.15457	0.6
291.13901	0.6
293.15228	0.3
301.14392	0.1
309.14905	2.0
311.16357	0.4
319.13293	0.3
325.14328	0.1
327.15900	2.1
333.24246	0.2
335.16675	0.2
335.25827	2.2
337.14438	1.3
337.18097	0.2
355.15396	0.9
365.17459	0.2
373.16391	0.4
381.24219	0.2
383.18573	0.4
393.17145	0.2
395.25635	0.2
401.19540	0.7
411.18182	0.6
421.23550	0.2
423.25244	1.2
429.19159	0.7
447.20016	0.6
455.27072	0.2
495.27161	0.3
497.29001	3.4
515.29852	0.2
591.23218	0.2
609.23401	1.5
643.39648	0.3
661.40588	0.5
671.38037	0.1
689.39905	0.5
707.41565	1.5
725.42108	0.3
859.45819	0.2
869.43939	0.4
887.45685	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	887.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02361	0.7
63.20144	0.1
65.03951	0.3
66.75736	0.1
67.05509	3.8
67.05877	0.2
69.03446	0.1
69.07064	0.8
69.48032	0.2
69.48432	0.7
71.04998	0.2
77.03934	0.1
79.05493	4.8
81.03432	0.4
81.07059	2.9
83.05015	0.2
83.08632	0.5
84.04533	0.1
85.06566	0.2
89.03918	11.5
90.04280	0.1
91.05486	2.5
93.07048	3.2
93.07627	0.2
95.04967	1.0
95.08603	2.3
96.23113	0.1
97.06538	0.3
97.10197	0.2
99.08071	0.1
105.04499	0.2
105.07027	1.5
107.04964	2.8
107.08599	1.4
109.06536	0.1
109.10165	1.0
115.05483	0.3
117.03381	10.6
117.07014	0.5
118.03710	0.2
119.08591	0.9
121.10128	0.9
123.04424	1.1
123.11693	0.2
128.06233	0.2
129.07030	0.6
131.08560	0.8
131.71419	0.1
133.10152	0.7
135.04420	22.2
135.11705	0.5
137.06018	0.2
141.07021	0.4
142.07774	0.1
143.04935	0.2
143.08574	0.2
145.02853	13.8
145.06496	0.4
145.10095	0.6
146.03195	0.1
147.04408	0.3
147.11697	0.4
149.05960	0.3
149.13293	0.3
152.06221	0.2
153.07040	0.5
155.08563	0.2
157.06477	0.4
157.10100	0.2
158.06026	0.3
159.11708	0.3
161.05939	0.6
161.13235	0.3
163.03908	100.0
164.04222	1.1
165.05493	0.5
165.06949	0.2
167.05025	0.1
167.08525	0.3
169.06523	0.6
169.10098	0.2
171.08054	0.2
173.05978	1.5
173.13158	0.2
175.07573	0.4
175.14830	0.2
177.05415	0.2
179.08562	0.3
181.04947	0.2
181.06436	1.2
181.10069	0.2
183.08076	0.5
185.06029	0.5
185.09612	0.1
185.13252	0.1
186.05463	0.9
186.06877	0.1
187.07556	1.1
189.05495	0.2
191.06984	0.1
191.08534	0.2
193.10124	0.2
195.08130	0.8
197.05983	2.0
197.09691	0.3
198.06752	0.1
199.07530	2.1
201.05505	0.3
201.09158	0.1
201.16354	0.1
203.06931	0.1
207.08162	0.6
209.06018	0.2
209.09592	0.3
211.07555	0.7
213.05431	0.6
213.09044	0.6
215.07031	0.7
215.10724	0.2
219.11620	0.1
221.09639	0.6
223.07573	0.3
223.11073	0.2
225.05498	0.8
225.09088	0.3
227.07002	0.6
227.10541	0.2
235.11186	0.2
235.14784	0.2
237.07326	0.5
239.07002	0.2
239.10722	0.2
241.19603	0.1
243.20950	0.2
245.09706	0.1
245.13345	0.2
249.12704	0.1
251.10826	0.2
255.13849	0.1
259.20596	0.4
261.22186	0.6
263.14276	0.5
265.12149	0.2
273.12714	0.1
277.12158	0.2
281.15396	0.6
283.13266	0.1
291.13800	0.3
293.15216	0.2
307.13220	0.1
309.14920	1.5
311.16501	0.2
319.13419	0.2
327.15924	1.5
333.24252	0.2
335.25827	2.0
337.14325	1.1
340.94220	0.1
347.08795	0.1
355.15579	0.7
355.19177	0.2
375.25269	0.1
381.24326	0.2
383.18448	0.3
393.17032	0.2
395.25772	0.3
401.19620	0.4
411.17908	0.5
413.26883	0.1
421.23453	0.1
423.25403	0.6
429.18896	0.5
447.19641	0.4
497.28915	2.7
498.29233	0.1
563.22614	0.2
609.23431	1.0
643.39856	0.2
661.40869	0.3
689.40204	0.3
707.41467	1.4
725.42780	0.2
869.45105	0.6
887.45636	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	885.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.3
69.03439	4.0
69.07075	0.6
70.01205	1.6
71.04980	0.5
71.08636	1.5
73.02921	3.9
79.05494	0.8
81.03425	2.4
81.07063	1.6
83.01336	0.4
83.05000	0.5
83.08635	1.2
85.02915	6.0
85.10194	0.8
87.04471	0.5
91.03959	4.3
91.05498	0.5
93.07070	1.2
95.04984	0.4
95.08652	1.7
97.02902	6.1
97.03516	0.4
97.10179	0.5
99.04474	0.8
101.02393	2.0
102.05476	0.3
103.03963	0.4
107.08645	0.8
109.02889	1.0
109.06561	0.4
109.10168	0.8
115.03974	0.3
117.07080	0.7
119.08625	0.5
121.10168	0.3
123.08060	0.5
127.03921	1.6
131.08575	0.5
135.05183	0.3
135.11705	0.4
145.10170	0.6
163.11256	1.3
164.77591	0.3
185.04280	0.7
191.10641	0.3
203.05310	0.8
243.08470	2.3
283.15573	0.7
305.13669	0.5
313.27521	0.6
347.09558	2.0
357.74048	0.3
365.10675	0.7
405.13708	6.0
467.18979	7.1
467.25217	0.5
497.30905	4.6
629.24152	7.3
630.24353	0.4
659.36261	4.4
660.36322	0.3
723.43073	1.7
885.48206	100.0
886.48706	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	882.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.9
67.05509	15.3
69.03439	3.1
69.07076	6.7
70.20152	1.0
70.20545	1.3
71.05000	3.0
71.08636	14.3
73.02921	3.2
79.05498	12.7
80.03568	0.5
81.03423	32.9
81.06586	0.7
81.07061	21.0
83.04986	8.7
83.08623	18.4
85.02910	23.2
85.06533	1.2
85.09724	0.7
85.10183	9.7
87.04456	0.9
89.06009	1.2
91.03953	5.5
91.05486	16.5
93.07052	8.3
95.04977	14.6
95.08614	16.2
97.02366	0.6
97.02900	7.0
97.06508	1.7
97.10179	4.1
99.04426	0.9
99.08044	0.6
103.07546	0.7
105.06396	0.9
105.07036	12.6
107.04951	2.9
107.08602	3.9
109.02923	0.6
109.06529	3.4
109.10168	5.9
111.04430	1.1
111.08094	6.5
113.06011	1.4
117.06966	0.7
117.09090	0.5
119.07789	0.7
119.08596	11.0
121.06499	0.9
121.10139	5.6
123.08041	1.9
123.11697	2.4
125.05962	0.6
125.09618	0.6
127.03882	2.3
129.07022	4.7
131.08566	7.0
133.06485	1.7
133.10153	6.9
135.11656	0.6
137.09586	0.9
137.13245	0.5
142.07774	1.5
145.04980	2.3
145.10078	0.7
147.07999	1.4
147.11699	8.2
149.09627	3.6
157.10127	9.4
163.06027	3.4
165.12779	1.7
175.11211	9.3
193.12254	24.7
194.12653	0.6
196.55356	0.5
203.71532	0.5
211.13304	42.8
239.23685	1.5
249.14771	0.6
257.24936	1.0
267.13010	0.6
267.15918	17.5
285.16986	65.4
286.17252	1.2
313.27377	62.9
314.27740	1.4
334.28271	0.6
340.41827	0.5
383.77643	0.6
426.45041	0.6
449.05008	0.5
505.38916	12.5
523.39966	100.0
524.40216	3.9
667.44220	0.9
706.40674	0.6
848.10913	0.5
873.81818	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	880.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.7
65.03942	1.3
67.05510	15.0
69.07070	6.7
69.66032	2.9
69.66446	7.6
71.08641	18.7
73.02910	3.4
79.05515	11.4
81.03427	2.9
81.07067	17.3
83.01334	2.7
83.04998	2.2
83.08624	12.6
85.02911	6.8
85.10182	11.9
89.06056	2.1
91.03941	3.3
91.05481	6.4
93.07057	20.8
93.24635	1.7
95.04955	4.8
95.08618	28.7
97.02895	6.2
97.06536	3.7
97.10189	4.5
105.07051	4.7
107.04978	3.9
107.08595	16.4
109.06546	3.4
109.10190	7.5
117.07031	5.8
119.08586	6.4
121.06552	2.9
121.10157	8.1
123.08122	2.0
123.11626	1.9
125.05944	1.5
127.03884	2.3
135.08096	1.7
135.11700	25.8
139.07581	1.7
145.10143	18.8
163.09853	2.4
163.11197	44.1
163.12546	3.1
181.12242	5.8
209.11763	2.9
227.12808	39.8
239.23764	2.4
257.24585	1.8
283.15411	83.1
313.27386	91.2
314.27689	2.6
521.38422	100.0
522.38715	3.5
549.75513	1.8
674.47687	1.8
883.24915	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	880.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	8.9
64.74990	0.3
67.05507	10.5
68.54469	0.3
69.03429	2.2
69.07072	5.5
71.01338	0.5
71.05001	2.2
71.08636	12.8
71.45235	0.3
73.02914	3.0
75.04412	0.4
79.05068	0.5
79.05498	9.2
81.03423	6.3
81.07062	16.0
83.00909	0.4
83.01349	5.3
83.04988	7.0
83.08625	10.2
85.02911	12.1
85.06497	0.6
85.10190	7.3
89.06004	1.3
91.03483	0.4
91.03962	5.3
91.05484	5.8
93.07050	13.3
95.04998	3.1
95.08613	13.4
97.02895	6.0
97.06548	2.1
97.10162	3.0
99.04471	2.0
99.08082	0.5
103.05422	0.4
103.07564	0.8
105.06503	0.4
105.07037	3.9
107.04972	4.3
107.08598	6.2
109.02841	0.8
109.06526	3.6
109.10155	5.2
111.04395	1.8
111.08067	1.2
111.11695	1.0
115.05388	0.5
117.07014	3.6
119.08579	4.0
121.06518	1.9
121.10139	4.0
123.08080	4.3
123.11703	2.6
125.05955	1.1
125.09592	0.8
127.03921	3.0
129.06995	0.8
130.07735	0.8
131.08559	1.4
133.10121	1.2
135.08040	1.2
135.11690	6.1
137.09589	1.1
137.13225	0.6
139.07530	0.5
143.08525	0.7
144.06575	0.5
145.04933	3.5
145.06406	0.5
145.09068	0.5
145.10138	8.9
147.08041	1.4
149.09563	0.4
149.36816	0.4
153.12749	1.3
155.08585	0.7
155.49515	0.4
158.97318	0.3
163.06012	3.7
163.09836	0.8
163.11185	13.6
173.09604	2.3
181.12193	2.0
184.07353	0.5
191.10591	1.3
209.11725	4.0
218.35909	0.3
221.22578	0.4
227.12747	1.9
239.23669	1.2
257.24722	0.9
283.15414	100.0
284.15747	2.3
313.27380	72.3
314.27798	2.2
521.38409	52.2
522.38904	2.6
881.48553	1.0
908.74487	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	878.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.5
65.03959	1.7
67.05507	23.3
69.07080	7.2
71.08642	12.9
71.36965	2.0
72.08141	2.2
75.26330	1.3
79.05058	2.1
79.05502	29.8
79.76253	1.6
81.03431	1.9
81.07066	23.8
83.04977	6.4
83.08604	5.5
85.02895	4.2
85.06561	1.4
85.10184	7.5
89.06100	1.3
91.03952	2.5
91.05491	22.6
93.07051	25.8
95.04964	7.3
95.08614	18.7
97.02869	2.9
97.06521	1.7
97.10167	4.7
103.39590	1.5
105.04536	2.0
105.07036	14.7
107.04965	2.0
107.08590	5.8
109.06536	2.0
109.10159	5.5
117.07038	3.3
119.08586	8.7
121.10204	3.0
123.08097	1.8
123.11746	2.3
125.51715	1.5
127.03896	1.7
129.07011	4.8
133.10133	4.3
141.33911	1.5
143.08566	1.9
145.10103	3.8
147.10651	1.8
147.11708	16.5
161.13335	3.3
163.03871	2.2
171.11697	11.7
176.84575	1.3
189.12717	3.9
207.13799	12.8
257.25092	1.5
281.17499	47.5
299.92145	1.6
313.27380	49.1
507.40964	1.5
519.40497	100.0
520.40771	4.2
883.10736	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	876.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	10.9
61.28555	1.1
65.03945	1.7
67.05170	2.2
67.05510	36.4
69.03432	3.2
69.07074	10.0
71.04986	4.2
71.23150	2.4
73.02906	4.0
79.05496	44.5
81.03424	34.8
81.06577	2.3
81.07058	36.9
83.04985	6.2
83.08629	15.1
85.02914	29.5
85.03429	1.7
85.06525	2.3
91.03964	6.5
91.05486	33.9
93.06462	2.5
93.07046	42.9
95.04980	19.9
95.08611	21.1
97.02908	8.1
97.06551	3.1
97.10189	2.7
99.08064	2.4
105.07032	21.2
107.04949	4.5
107.08604	16.2
109.06521	3.4
109.10172	10.5
111.04436	1.6
111.08103	6.8
115.05473	1.3
117.07029	5.6
119.08595	14.6
121.06533	1.9
121.10149	23.5
123.08073	2.7
123.11707	4.0
125.09607	1.5
127.03885	2.7
129.07001	7.4
131.08571	11.9
133.06522	1.5
133.10150	12.4
135.11719	11.3
137.09552	2.2
139.11220	1.5
142.07800	2.4
143.08577	1.9
145.04958	1.7
145.10143	7.2
147.08015	1.7
147.11691	13.4
149.09647	4.5
149.13223	5.4
157.10143	8.1
159.11694	4.8
162.89420	1.2
163.03897	1.5
163.06010	2.7
163.11176	1.5
173.13287	2.4
175.11226	9.0
184.07332	2.0
187.14932	1.8
193.12282	22.2
205.19514	2.0
206.78276	1.1
211.13309	39.4
211.15271	2.2
215.17979	10.0
225.31387	1.0
233.19031	10.1
267.15945	10.1
285.16983	45.0
286.17484	1.2
307.22690	68.0
362.30023	1.1
401.66910	1.3
407.29269	1.2
425.30551	1.7
443.31741	1.4
499.34091	10.7
517.35297	100.0
518.35651	5.3
642.84247	1.2
689.82764	1.2
885.26123	1.4
893.18787	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	874.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	16.3
65.03935	2.0
67.05511	46.1
69.03424	4.1
69.07076	12.0
69.44579	1.0
71.04986	4.3
71.59412	1.0
73.02917	5.5
79.05501	52.2
81.03423	10.1
81.07063	49.3
83.01347	9.4
83.04993	9.6
83.08622	13.2
84.05100	1.3
85.02425	1.7
85.02914	23.0
85.06540	2.6
86.09695	1.3
91.03975	11.1
91.05489	32.5
93.07053	58.0
95.04973	10.3
95.08614	29.0
97.02911	12.0
97.06525	4.8
97.10180	3.9
99.04449	2.0
99.08083	3.7
105.04529	1.2
105.07040	20.0
107.04987	7.0
107.08608	28.4
108.87301	1.1
109.02835	1.1
109.06531	7.0
109.10171	11.4
111.04447	1.9
111.08081	3.2
115.03852	1.6
117.07027	11.0
119.08595	15.3
121.06525	3.1
121.10149	24.7
123.08076	8.4
123.11729	5.6
125.06038	1.3
125.09657	5.4
127.03951	6.1
128.06264	1.3
129.06982	1.7
131.08577	13.6
133.10143	13.5
135.04462	2.8
135.08072	2.7
135.11703	26.4
137.09645	1.7
137.13278	1.4
143.08578	2.0
145.02885	1.6
145.04980	5.2
145.06471	1.4
145.10130	24.2
147.08040	1.6
147.11708	7.8
149.09637	1.6
149.13287	10.1
151.11113	1.6
153.12729	1.8
155.08548	1.9
157.10173	1.9
158.23589	1.1
159.11713	9.5
161.13281	1.5
163.03944	5.9
163.06044	5.6
163.11214	20.4
164.04279	1.5
165.47427	1.1
171.11710	2.3
173.09608	2.6
173.13278	7.1
181.12256	3.7
184.07327	3.0
187.14841	2.5
189.11215	3.6
189.16341	1.4
191.10654	3.4
205.19539	2.8
209.11765	3.7
215.16106	1.9
215.17990	20.6
216.76437	1.2
227.12743	8.1
231.17429	1.5
233.19057	21.3
267.16064	1.8
271.20566	4.1
283.15421	100.0
284.15695	1.8
289.21716	2.4
305.21106	1.3
307.22699	81.2
308.23096	1.3
380.38867	1.4
395.28436	1.5
405.27985	2.0
423.28879	4.3
441.29669	2.1
487.34167	1.8
497.32874	7.5
515.33728	77.5
516.34363	2.6
533.34766	6.2
875.45496	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	872.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.3
65.03922	1.7
67.05505	9.8
68.99791	3.4
69.03431	34.8
69.07071	9.1
69.79810	3.2
69.80211	3.4
71.04992	4.1
73.02934	6.2
79.05508	10.7
81.03418	22.8
81.03858	2.5
81.07065	24.8
83.05012	3.0
83.08624	5.4
85.02911	100.0
85.06566	2.5
87.00837	43.9
91.03950	1.8
91.05479	11.8
93.07051	26.6
95.04943	2.9
95.08617	36.3
97.02899	32.9
97.10176	3.8
99.04443	12.4
99.08087	7.5
101.02374	1.3
103.03911	1.6
105.01873	69.6
105.07040	25.7
107.08598	37.9
109.02889	35.9
109.03505	0.8
109.06513	1.7
109.10158	25.8
111.04501	1.5
111.11731	2.6
111.79863	1.2
115.05439	1.4
117.07035	3.0
119.08581	36.3
121.06529	1.4
121.10152	40.2
121.11039	2.6
123.04431	1.7
123.08036	2.1
123.11726	8.6
125.09599	1.7
127.03923	72.6
129.01842	4.9
130.08650	1.2
131.08546	8.8
133.10136	56.3
135.08032	10.5
135.11707	22.2
137.09660	1.8
137.13229	3.9
139.11176	2.0
143.08575	4.7
145.04974	25.1
145.10133	28.1
147.02904	5.5
147.11697	26.3
148.24347	1.4
149.13261	23.4
150.13551	1.4
151.11197	1.9
155.08571	2.4
157.10153	5.6
158.10886	1.7
159.02893	10.9
159.11688	29.3
161.13264	16.6
163.03928	3.0
163.11223	4.9
163.14824	17.7
169.10150	1.7
171.11742	6.1
173.13249	11.4
175.11250	1.2
175.14810	13.3
177.12790	4.6
177.16389	14.3
179.14305	1.9
181.10097	1.5
183.11732	1.9
184.07411	1.7
184.12607	1.3
185.13274	5.2
187.14850	26.5
189.03989	3.1
189.16402	24.6
191.14359	1.6
191.17906	8.6
195.13837	2.6
197.13321	2.8
199.14850	3.8
201.16405	14.4
202.76758	1.3
203.14267	2.0
203.17972	46.7
205.15881	41.3
205.17831	2.1
205.19559	3.7
207.17410	7.0
209.13046	1.4
211.14766	2.4
213.03886	8.2
213.16443	9.3
215.14368	1.6
215.18005	4.2
217.15823	1.3
217.19466	3.2
219.17430	7.3
221.19002	10.1
223.16919	14.6
227.17982	4.9
229.19592	3.8
231.05000	33.4
231.07213	2.2
231.17465	2.7
231.21155	2.5
233.06624	1.6
233.18971	2.5
239.18059	1.8
241.19632	2.0
245.18970	3.2
247.20834	1.6
249.06064	17.7
253.07120	2.1
255.21213	1.5
271.08142	2.9
281.22656	1.5
315.27008	1.7
321.25876	1.6
339.26804	3.6
357.27707	2.1
391.33640	9.7
397.34937	4.3
399.36401	1.5
409.34659	71.6
410.34949	2.4
411.36136	1.5
427.35742	70.9
428.36099	3.5
445.36743	10.7
451.35635	2.1
469.36606	5.8
499.35822	2.5
517.36749	3.4
535.37604	3.6
603.36603	1.5
621.37573	3.0
639.39404	7.0
657.39795	8.1
675.41241	2.5
883.46960	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	863.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.4
67.05506	4.8
69.03428	2.3
69.07064	2.3
71.59214	0.7
71.88513	0.4
72.79071	0.5
73.02928	3.1
79.05488	4.3
81.03444	2.1
81.07061	4.8
83.01164	0.4
83.08625	1.1
85.02905	3.6
91.03980	2.1
91.05486	3.7
91.25275	0.5
93.07042	4.0
95.04952	0.8
95.08630	2.5
97.02905	4.0
97.06583	0.7
97.10191	1.1
99.04502	0.8
101.02396	1.4
105.07010	2.8
107.04968	0.6
107.08614	2.5
109.10178	2.8
113.23579	0.4
117.07014	0.8
119.08639	1.8
121.10176	1.2
123.08118	0.6
125.09686	1.4
127.03951	1.3
129.07118	0.6
131.08589	1.1
133.10170	1.0
135.11729	0.7
147.11714	1.1
159.11720	0.5
162.00742	0.5
171.11739	0.6
184.07416	1.1
185.04224	0.7
243.08372	2.8
289.35938	0.5
301.09021	1.4
315.10532	0.5
348.63199	0.5
351.21683	1.6
425.29584	0.6
464.40671	0.5
465.20898	0.9
499.22241	0.6
514.96887	0.5
535.28857	4.8
553.14893	0.5
569.29358	8.6
570.29419	0.7
641.31427	0.6
772.34265	0.7
863.51257	100.0
864.51447	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	872.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	5.8
67.05511	8.6
68.99811	3.1
69.03070	2.9
69.03433	41.9
69.07076	7.4
70.43402	5.4
71.04988	4.3
73.02910	7.2
74.30930	1.4
79.05493	9.8
81.03426	28.8
81.07065	17.4
81.13772	1.4
83.01366	1.8
83.04984	3.5
83.08616	6.4
85.02911	100.0
87.00835	46.1
87.01342	3.0
89.74308	1.3
91.03974	1.5
91.05487	11.7
93.07050	20.2
95.04964	1.7
95.08612	29.0
97.02903	37.9
97.10167	3.9
99.04469	12.6
99.08099	6.9
103.03916	3.0
105.01878	76.5
105.07030	23.7
105.43011	1.3
107.08596	34.8
109.02887	36.1
109.06465	2.0
109.10161	18.7
111.04463	1.9
115.03963	1.5
117.01879	3.4
117.07025	2.1
119.08583	35.4
121.10152	31.6
123.02892	1.5
123.11699	6.0
127.03926	81.3
129.01843	4.5
131.08554	9.8
133.10144	41.4
135.08092	7.8
135.11710	16.0
137.13269	2.5
139.11168	1.6
143.08549	2.5
145.04951	25.6
145.10129	15.9
147.02869	3.1
147.11705	19.9
149.09630	2.8
149.13240	17.8
157.10155	4.8
159.02896	12.1
159.11699	15.0
161.13301	9.4
163.03952	4.2
163.11162	1.6
163.14821	15.1
169.10080	2.9
171.11723	5.7
173.13341	8.6
175.14827	12.4
177.12724	1.7
177.16388	11.7
181.04971	2.4
183.11769	1.9
184.07333	1.8
185.13301	4.3
187.14835	14.3
189.03880	4.2
189.16408	19.8
191.17967	5.7
197.13188	2.2
199.14761	2.5
201.16403	13.9
203.14328	1.4
203.17978	25.4
205.15900	21.8
205.19376	1.8
207.17470	5.5
213.03976	9.0
213.16402	5.0
215.14340	1.8
215.18074	4.9
217.19456	2.2
219.17503	6.9
221.19020	5.5
223.16916	3.4
227.17883	2.1
229.19508	3.9
231.05031	32.7
231.07220	2.5
239.60991	1.5
241.19446	2.1
249.06042	18.6
253.07188	1.7
271.08112	1.9
313.25226	2.7
313.61462	1.7
321.26257	2.0
357.27859	1.9
383.32980	2.7
391.33691	6.0
397.34592	5.0
409.34686	58.0
410.35342	1.7
427.35764	58.5
445.36740	3.2
451.35764	1.9
469.36514	2.6
499.36423	1.5
517.37079	2.7
535.37665	3.8
555.47443	1.5
621.37543	3.5
639.38922	5.1
657.39728	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	859.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08185	0.1
63.02361	0.8
65.03959	0.2
67.05508	2.8
67.69296	0.1
68.43611	0.1
69.07071	0.7
69.99286	0.1
71.58875	0.1
79.05497	6.2
81.03367	0.2
81.07066	2.4
83.08620	0.5
85.06533	0.2
86.09692	0.7
89.03920	10.4
91.05485	2.5
93.07052	3.4
95.04969	1.4
95.08604	1.6
97.06513	0.1
99.08099	0.2
103.05502	0.3
105.04536	0.2
105.07031	1.4
107.04959	2.2
107.08582	0.9
109.06536	0.3
109.10162	0.5
111.04458	0.1
115.05476	0.4
117.03384	9.2
117.07023	0.5
119.08589	0.8
121.10154	1.4
123.04433	0.9
123.08110	0.2
123.11671	0.2
124.99985	0.5
128.06265	0.2
129.07024	0.5
131.08546	0.5
133.10133	0.9
135.04424	20.5
135.11676	0.5
136.04695	0.3
137.06000	0.3
141.06995	0.5
143.04884	0.2
143.08569	0.4
145.02853	13.0
145.06503	0.3
145.10133	0.6
147.04402	0.2
147.11678	0.4
149.05959	0.2
149.13342	0.3
153.07002	0.5
155.08595	0.3
157.06506	0.5
158.06044	0.3
159.11726	0.4
161.05988	0.5
163.03911	100.0
164.04251	1.1
165.05496	0.3
165.06973	0.3
167.08572	0.3
169.06500	0.4
171.08058	0.2
171.11638	0.2
173.06000	1.4
175.07593	0.3
177.05441	0.2
179.08525	0.3
181.06439	0.6
183.08017	0.4
184.07343	1.9
184.08881	0.1
185.05946	0.4
185.07677	0.4
186.05455	0.8
187.07561	1.2
187.14883	0.2
189.09097	0.2
195.08080	0.5
197.05984	1.8
199.07533	2.0
201.05504	0.2
201.09099	0.4
207.08093	0.4
209.06059	0.2
209.09578	0.3
211.07562	0.5
213.05467	0.4
213.09077	0.5
213.16313	0.2
215.07047	0.6
215.17975	0.6
219.11653	0.1
221.09666	0.2
223.07541	0.2
225.05469	0.6
225.09059	0.4
227.07040	0.6
227.10620	0.2
231.17462	0.4
233.19026	0.5
235.11185	0.2
237.07568	0.5
245.13261	0.2
263.14240	0.4
265.12198	0.2
277.12231	0.2
281.15302	0.6
283.13379	0.2
291.13745	0.4
293.15106	0.3
295.13425	0.1
307.22733	2.0
309.14832	1.6
311.16168	0.2
325.14377	0.2
327.15887	1.7
337.14346	1.2
355.15347	0.5
367.22504	0.2
371.22394	0.1
373.16159	0.3
383.18265	0.3
395.22055	0.2
401.19534	0.2
411.17691	0.3
429.18903	0.5
430.19128	0.2
447.19986	0.3
469.25964	2.4
563.22260	0.2
609.23285	0.8
633.37457	0.4
661.36597	0.4
679.38434	1.1
841.40924	0.3
859.42828	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	859.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02358	0.8
65.03930	0.3
67.05515	3.0
69.07067	1.5
71.04997	0.5
71.59648	0.3
77.03896	0.2
79.05058	0.3
79.05497	4.3
81.03400	0.3
81.06632	0.3
81.07063	2.9
83.08624	0.4
86.09686	0.3
89.03924	10.7
91.05492	2.2
93.07052	2.6
95.04970	1.0
95.08614	1.8
97.06535	0.3
97.10171	0.2
99.08089	0.3
103.05469	0.4
105.07034	1.6
107.04964	3.1
107.08632	1.1
109.10149	0.9
115.05456	0.3
116.58400	0.2
117.03385	10.9
117.07047	0.5
119.08584	1.2
121.10161	1.1
123.04445	2.5
123.11737	0.2
128.06209	0.2
129.06996	0.6
131.08594	1.1
133.06485	0.2
133.10139	0.8
135.04427	23.4
135.11714	0.9
136.06183	0.2
137.05962	0.5
141.06990	0.6
143.04890	0.3
143.08559	0.4
145.02861	13.6
145.06487	0.6
145.10135	0.8
147.04390	0.5
147.08029	0.2
147.11656	0.6
149.06007	0.4
149.13257	0.2
150.96053	0.2
153.07021	0.3
153.25281	0.2
155.08572	0.3
157.06497	0.5
157.10165	0.2
158.06046	0.3
159.08121	0.2
159.11742	0.6
160.05159	0.2
161.05988	0.7
161.13246	0.4
163.03915	100.0
164.04243	1.3
165.05490	0.9
165.06866	0.4
166.07863	0.2
167.04922	0.2
167.08580	0.3
169.06499	0.7
169.10159	0.3
170.07300	0.2
171.08049	0.6
171.11844	0.2
173.05992	1.9
173.13167	0.3
175.07529	0.5
175.11293	0.2
175.14867	0.3
178.07802	0.3
179.08563	0.5
181.06458	1.2
181.10185	0.2
183.08089	0.5
183.11703	0.2
184.07358	0.5
185.06018	0.6
185.13248	0.2
186.05493	0.7
187.03908	0.2
187.07512	1.6
189.05542	0.4
189.09232	0.3
191.08667	0.2
194.07321	0.2
195.08055	0.8
197.05966	2.1
197.09602	0.2
197.13295	0.2
198.06749	0.3
199.07584	1.6
201.05501	0.3
201.09143	0.7
202.07805	0.3
206.07228	0.3
207.08054	0.4
207.11708	0.9
209.04434	0.5
209.09608	0.5
211.07541	0.4
211.11107	0.3
213.05540	0.5
213.09114	0.6
215.07039	1.4
217.10199	0.3
219.08134	0.5
219.11708	0.2
221.09633	0.7
225.05487	0.6
225.09222	0.4
227.06908	0.4
227.10670	0.4
229.12178	0.3
235.07648	0.3
235.11160	1.3
237.07349	0.4
237.09369	0.4
239.10709	0.4
241.08490	0.3
241.12239	0.2
245.09578	0.6
249.07567	0.2
251.10730	0.3
253.12279	1.2
259.20544	0.6
261.22186	0.8
263.10596	1.0
267.10275	0.3
271.13281	0.3
277.21429	0.2
281.11722	1.8
283.13354	0.5
291.10104	0.4
299.12836	2.9
309.11160	1.0
327.12326	0.7
335.25906	1.4
337.14227	0.2
345.13354	0.3
351.25302	0.2
355.15619	0.3
373.16446	0.6
381.24164	0.3
383.14816	0.5
395.25919	0.6
401.15973	0.6
413.27005	0.3
419.17123	0.8
423.25320	2.1
441.26865	0.3
467.01944	0.2
497.28976	3.1
515.30359	0.3
559.34052	0.2
569.33026	0.2
581.20154	1.5
633.37555	0.4
651.38593	0.3
661.37073	0.5
679.38464	1.5
697.39911	0.2
798.12677	0.2
831.42810	0.2
841.40784	0.6
859.43915	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	858.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	5.4
61.02906	6.8
65.03925	6.2
67.05510	74.1
69.07066	28.4
69.33738	45.0
71.05039	6.0
71.08588	6.2
71.63952	5.0
78.92338	4.6
79.05499	48.7
81.03426	5.5
81.07059	55.2
81.62344	4.8
83.08623	14.7
86.09708	35.7
89.03943	5.8
90.93322	5.0
91.05493	64.0
93.07049	54.6
95.04958	11.9
95.08619	38.4
97.06534	9.7
97.10208	6.5
104.10760	5.3
105.07032	51.7
106.42967	5.2
107.04907	5.5
107.08610	33.2
109.06483	7.1
109.10154	39.7
112.07585	4.4
117.07040	15.3
119.08585	39.3
120.01730	4.7
121.10144	22.9
123.08083	5.0
124.99989	25.2
129.07021	10.3
131.08588	26.2
133.10114	33.6
135.04416	10.0
135.11696	14.4
141.07056	7.6
143.08594	13.6
145.02837	5.5
145.10149	20.8
147.11707	24.4
149.09586	4.8
149.13290	7.1
157.10197	13.6
159.11751	16.1
161.13280	12.1
163.03923	41.1
169.10252	7.0
171.11671	11.5
173.11771	7.5
173.13182	6.0
175.14766	5.3
183.11662	7.6
184.07329	100.0
185.13342	9.6
229.14401	20.7
241.19571	15.0
259.20526	32.3
269.17426	8.8
275.20038	12.8
281.48444	5.3
291.56516	5.1
333.24210	37.1
349.23679	8.1
367.24890	10.5
386.49203	4.9
435.32373	5.8
444.03040	5.9
505.34827	9.6
527.37439	29.4
551.41132	5.6
607.43280	20.5
625.44482	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	858.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71667	1.0
67.05508	1.6
70.97345	2.4
70.97691	1.1
79.05517	2.7
87.92403	1.1
91.05480	1.3
92.12314	1.0
93.07024	2.8
94.06565	3.7
103.05453	2.8
108.08100	5.1
113.25996	1.0
119.07301	1.3
120.08110	17.7
122.06042	7.2
122.09705	1.1
130.06540	12.4
136.07574	5.8
138.09166	1.4
148.07578	46.7
150.09119	2.7
154.51193	1.1
160.47389	1.0
163.65005	1.0
166.08649	3.5
184.07454	1.6
208.09912	1.2
209.72641	1.3
211.12422	3.3
219.09244	1.3
221.10701	2.7
222.11357	1.7
223.12347	4.5
224.13039	1.2
225.10240	1.7
225.13795	1.2
227.11794	1.7
231.97188	0.9
235.08635	2.6
235.12326	3.9
236.09471	2.6
237.10196	5.7
237.13849	2.4
238.10965	5.0
239.11729	8.0
247.12502	1.2
248.09433	1.9
249.10260	13.2
250.11011	5.3
251.11803	18.7
251.14374	1.3
252.08728	3.2
253.09677	1.7
253.13414	2.3
261.10211	3.2
262.11069	5.6
263.08350	1.6
263.11795	33.5
264.08801	1.2
264.12585	5.0
265.09976	6.4
265.13364	10.2
267.11224	3.9
275.11795	2.2
277.09726	21.1
277.13028	2.2
278.10446	4.3
279.11264	14.3
280.12079	4.7
281.12869	7.0
283.10867	2.3
289.09720	3.1
290.10577	2.5
291.11292	43.2
292.12064	20.1
293.09555	1.4
293.12799	18.1
295.08075	1.3
295.10812	12.9
297.12268	1.1
303.07797	1.5
303.11237	1.9
305.12888	1.6
307.10773	6.5
308.11563	1.9
309.09216	1.1
309.12341	6.4
310.13284	1.1
318.09973	3.2
319.10703	8.7
321.12250	8.7
323.10275	2.2
324.11029	8.0
325.11710	6.7
335.10437	1.9
336.11041	22.6
337.11868	26.7
339.13507	1.2
349.11954	2.8
351.13562	2.5
354.16037	2.3
355.12848	1.8
356.17813	1.7
368.13757	2.2
369.14444	11.6
370.15314	2.1
381.14490	5.0
382.15317	3.4
383.16266	1.3
384.17181	3.6
386.18491	1.4
398.18954	2.5
400.20190	3.0
402.18182	1.9
412.16461	3.3
414.18323	1.9
426.18393	1.6
430.17651	2.3
440.15759	1.5
444.19357	2.0
472.18777	4.6
487.21161	1.4
488.21985	2.6
490.19370	3.1
504.20941	1.5
530.19006	1.6
531.20135	8.2
532.20880	7.7
558.18384	1.7
574.17981	6.8
575.18927	25.3
576.19733	57.7
577.20184	1.7
588.19635	1.4
593.23499	2.2
608.22894	5.0
611.24725	3.0
620.22369	34.1
621.22345	1.5
653.26221	13.1
664.93762	1.4
679.23846	8.8
697.25018	100.0
698.25366	8.3
704.24182	1.4
735.26599	1.8
769.58893	1.1
826.49945	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	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.8
65.03941	4.3
66.97475	1.5
67.05508	85.4
69.03437	11.4
69.07072	43.6
70.39117	6.1
71.04999	7.8
73.02914	2.1
77.03931	2.1
79.05499	64.3
81.03426	14.8
81.07059	100.0
83.04987	17.2
83.08627	19.7
85.02921	6.2
85.06532	4.4
91.05482	64.4
92.05798	2.1
93.07047	71.6
95.04976	18.7
95.08611	42.1
97.02902	6.0
97.06529	20.0
97.10172	15.0
99.04453	2.2
99.08099	3.9
100.38538	1.3
103.03970	1.3
103.05413	1.8
105.04589	1.7
105.07033	51.4
107.04958	14.6
107.08598	54.2
108.08937	1.9
109.02913	3.4
109.06516	9.5
109.10172	18.1
111.04456	2.6
111.08085	9.4
112.90959	1.4
113.06012	1.2
115.05470	4.2
117.07029	23.9
119.08586	37.3
121.06520	6.9
121.10146	23.3
123.08076	5.7
123.11697	5.5
125.09634	10.6
127.03918	3.2
128.06195	1.7
129.05490	1.8
129.06985	8.8
131.08574	31.4
133.06511	3.5
133.10138	32.6
135.08060	9.3
135.11688	22.2
137.09651	4.3
141.07001	3.0
143.08591	10.4
145.06487	1.7
145.10136	25.3
147.11707	15.7
149.09622	19.8
149.13252	17.4
150.58232	1.4
151.11166	4.8
155.08594	5.8
157.10077	8.3
159.11688	21.4
161.09669	2.2
161.13258	7.9
161.52327	1.5
163.11188	14.1
165.09093	1.7
165.12741	3.1
169.10147	6.0
171.10336	2.1
171.11644	8.1
173.04500	3.1
173.09645	1.7
173.11832	2.9
173.13300	7.9
175.11072	1.3
175.14914	1.9
177.12807	7.4
179.14360	4.1
181.10129	2.6
181.12329	2.0
183.11693	5.0
184.07397	3.9
185.13293	3.7
187.11157	3.0
189.11206	5.2
189.12732	1.4
193.12349	2.1
195.12012	2.2
195.13852	8.7
197.13300	4.3
199.14877	2.0
201.12724	2.5
205.12291	1.7
211.14864	2.4
213.14740	2.4
215.14134	2.1
219.14046	1.7
223.13260	1.5
227.12770	11.2
229.14401	2.1
229.19460	2.0
233.15410	2.3
239.17949	3.6
245.13823	1.6
247.20587	3.6
251.16435	2.0
255.15907	15.3
257.19031	13.2
261.14902	1.6
262.31058	1.8
267.15994	3.2
269.14520	2.0
269.17459	45.5
275.20059	50.2
276.20551	2.0
291.19525	2.4
293.20959	5.4
321.24319	1.8
331.22614	2.0
349.23752	37.7
367.24838	7.6
419.11743	1.3
431.28052	1.8
435.27722	2.3
445.29507	1.9
447.31384	1.5
449.28983	25.2
451.32404	2.9
463.30600	32.7
464.30518	2.1
503.33511	1.8
515.37561	1.7
525.35522	5.0
529.23053	1.5
529.35394	11.1
543.36908	40.6
544.37018	1.9
561.37793	4.9
623.43286	7.5
641.43506	5.4
828.74750	1.6
835.12598	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.3
67.05508	88.3
69.03433	11.6
69.07072	41.9
71.04990	8.2
71.48807	5.2
73.02901	2.9
79.05495	81.8
80.13268	2.7
81.03420	14.9
81.07062	100.0
83.04986	15.7
83.08631	22.2
85.02903	6.3
85.06544	7.3
86.09715	8.5
91.05484	73.9
93.07050	84.1
95.04980	18.9
95.08606	44.4
97.02909	7.6
97.06538	19.1
97.07143	3.5
97.10165	14.9
99.08064	4.1
105.07034	65.1
107.04988	13.6
107.08603	54.7
109.06516	11.2
109.10148	21.9
111.04420	3.0
111.08067	8.3
113.09647	2.8
115.05425	4.6
117.07028	25.5
119.08585	48.3
121.06480	6.6
121.10143	31.7
122.35465	2.6
123.08076	5.7
123.11704	7.2
123.31442	2.8
124.99950	2.7
125.09639	12.0
128.06244	4.9
129.07002	13.1
131.08580	38.7
133.06441	2.6
133.10139	41.0
134.48442	2.6
135.08084	9.2
135.11700	21.9
137.09630	5.4
139.11142	2.5
141.07013	4.6
142.07776	4.7
143.08546	13.7
145.06488	4.5
145.10120	29.0
147.07967	3.3
147.11684	20.8
149.09615	18.3
149.13263	15.7
151.11194	3.9
155.08563	5.3
157.10114	11.6
159.11691	28.3
161.13287	7.1
163.11205	12.2
167.10683	3.0
169.10153	7.3
171.11685	9.4
173.09773	3.4
173.13234	10.9
173.52408	2.7
175.11229	5.5
177.12727	7.6
179.14394	4.9
181.10159	3.7
183.11711	7.2
184.07324	16.0
185.13284	4.0
187.11186	2.7
189.11191	4.9
195.11758	4.2
195.13895	7.6
197.13300	4.7
199.14839	4.5
217.15797	3.9
227.12822	16.4
229.19495	3.6
235.16866	3.7
239.17874	7.5
247.20349	3.7
255.15851	14.8
257.18994	17.5
267.16031	6.4
269.17487	42.6
275.20108	68.3
279.50769	2.4
279.54279	3.1
280.29694	2.7
291.19406	4.3
293.21097	7.2
331.22604	8.4
349.23764	45.4
367.24570	4.1
380.85489	2.7
392.94867	2.6
402.68048	2.8
449.29056	13.6
463.30542	21.8
469.32907	3.4
503.34052	3.1
525.35400	3.7
527.37170	3.7
529.34937	9.0
533.64771	2.8
543.36816	41.4
561.37549	7.2
583.39984	3.9
623.42706	8.0
641.43469	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	6.0
67.05508	73.9
67.05873	3.8
69.03432	8.8
69.07071	41.9
69.48701	1.3
71.04984	5.5
71.59332	1.7
72.29882	1.3
73.02872	1.9
76.55337	1.4
77.03919	2.4
79.05495	69.8
81.03419	16.7
81.07059	100.0
83.04986	12.7
83.08625	20.8
85.02912	8.3
85.06522	4.3
86.09718	3.8
87.04386	1.5
91.05485	62.8
93.07050	72.4
95.04980	16.8
95.08609	44.8
97.02878	4.9
97.06541	21.1
97.09716	1.2
97.10179	14.4
99.04417	3.9
99.08086	5.7
103.05442	3.6
104.10751	2.1
105.07035	52.5
107.04966	14.0
107.08601	46.5
109.02898	1.6
109.06525	9.6
109.10163	19.5
111.04433	2.0
111.08086	6.6
113.09643	3.7
115.05474	3.3
117.07025	25.5
119.07288	1.5
119.08587	38.1
121.06474	8.7
121.10143	20.4
123.04413	1.8
123.08097	8.5
123.11706	4.6
124.99998	4.0
125.09640	11.6
127.03922	5.3
128.06212	2.3
129.05519	2.1
129.07005	10.8
130.07808	2.0
131.08559	25.7
133.06404	2.0
133.10136	36.9
135.08061	8.9
135.11697	20.9
137.09625	4.6
139.11263	1.7
141.06970	4.1
142.07784	2.2
143.08598	7.5
145.06479	3.5
145.10144	24.2
147.08037	3.2
147.11687	18.8
149.09628	20.5
149.13278	15.0
151.11188	4.7
153.09073	2.0
155.08473	3.6
155.80359	1.6
157.10088	8.3
159.11702	21.9
161.09575	2.3
161.13300	7.6
163.11209	12.7
165.12805	2.7
169.10132	6.5
171.11717	6.3
173.04480	3.1
173.09718	1.9
173.11868	1.5
173.13264	8.3
175.11205	3.9
177.12761	5.7
179.14342	4.7
181.10182	2.2
181.12151	2.3
183.11700	6.3
184.07350	18.2
185.13251	3.7
187.11237	2.8
187.14854	2.8
189.11240	6.8
195.11806	2.9
195.13777	8.1
197.13264	5.3
199.14909	3.6
201.12860	3.5
209.13295	1.9
211.14812	1.7
213.16512	2.1
215.14352	2.4
221.13226	2.3
227.12785	13.8
227.17749	2.1
229.14235	2.2
229.19482	3.7
239.17979	5.9
245.13693	2.1
247.20642	3.8
255.15833	11.5
257.18909	12.7
267.15915	2.0
269.17484	35.7
273.18372	2.0
275.20074	50.9
293.21149	4.3
331.22723	5.0
349.23773	41.0
365.23615	1.7
367.24695	4.2
431.27728	2.0
433.30151	1.9
445.29236	2.5
447.30411	1.6
449.29047	19.8
451.31732	3.2
463.30618	18.8
503.33096	2.2
515.36975	1.9
525.35510	4.5
529.35693	8.4
543.36835	34.6
544.36591	2.3
561.37653	4.5
623.43146	9.0
641.43597	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	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52210	2.0
65.03938	5.2
67.05508	97.1
69.03416	8.8
69.06725	4.2
69.07075	54.7
69.67313	2.1
70.06583	2.8
71.04989	7.3
71.08633	3.6
71.59518	2.5
73.02933	3.4
79.05496	90.9
81.03426	17.2
81.06579	4.9
81.07063	100.0
83.04981	16.8
83.08638	21.7
85.02893	11.0
85.06543	3.4
88.85026	2.5
91.05484	89.0
93.07048	82.0
94.07353	2.8
95.04968	19.4
95.08613	52.2
97.02916	7.3
97.06538	16.7
97.10168	11.2
99.04415	3.6
99.08096	5.8
105.04488	2.4
105.07037	80.9
107.04951	10.6
107.08601	45.3
109.02879	2.5
109.06527	11.7
109.10164	27.7
111.04443	2.8
111.08105	5.4
117.07033	32.2
119.08584	58.6
120.08868	2.4
121.06532	7.8
121.10175	25.0
123.08077	8.1
123.11705	6.6
125.09639	10.8
127.03961	3.1
128.06203	6.8
129.06999	16.5
131.08580	39.7
133.06468	5.1
133.08530	3.3
133.10135	44.2
135.08058	8.3
135.11684	23.4
137.09616	7.4
140.98528	2.3
141.06999	5.7
143.08559	16.5
145.04927	3.1
145.10149	33.3
147.08034	3.0
147.11696	30.0
149.09627	15.8
149.13240	16.1
151.11162	6.1
155.08566	6.6
157.10127	13.4
159.11705	25.6
161.09616	3.2
161.13284	10.6
163.11250	12.7
163.14857	2.7
167.08495	4.9
169.10132	9.5
171.11668	12.8
173.04469	3.9
173.09598	4.7
173.11940	3.6
173.13268	14.2
175.11180	3.9
175.14830	3.9
177.12752	5.9
179.08609	2.7
179.14365	5.3
181.10144	4.4
183.11722	11.2
184.07307	3.8
185.13321	8.5
187.13289	2.6
187.14839	5.2
189.11176	5.6
195.11725	6.3
195.13750	4.8
197.13245	6.4
199.14815	6.7
201.16492	2.5
207.11787	2.8
211.14932	3.9
227.12767	12.1
229.14351	6.7
229.19536	4.2
237.16277	2.8
239.17931	3.7
241.19489	6.7
255.15816	4.1
257.18970	7.3
259.20541	16.0
269.17477	16.1
273.18466	2.9
275.20120	27.6
291.19540	7.9
293.21060	12.2
315.23178	2.4
333.24268	21.3
335.25644	4.3
349.23846	15.9
351.25262	2.2
367.24774	4.9
435.32159	2.9
445.29980	3.9
463.30518	2.3
513.35712	18.2
527.37646	13.2
543.36499	8.2
559.36194	2.9
561.37726	2.9
607.43372	8.9
625.44226	10.5
641.43567	6.9
663.47400	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	6.2
67.05508	98.2
68.14946	3.1
69.03423	7.2
69.07073	37.5
71.04992	9.9
71.77404	3.1
77.03380	2.8
78.48634	2.8
79.05055	5.1
79.05498	75.2
81.03424	19.1
81.07063	100.0
83.04984	16.4
83.08622	16.1
85.02897	6.1
85.06533	4.9
91.05486	81.8
92.05811	5.6
93.07049	73.9
95.04975	18.7
95.08612	51.1
97.02879	6.5
97.06551	17.4
97.10167	5.7
99.04457	4.0
99.08120	4.5
104.54111	3.7
105.07045	65.3
107.04961	10.1
107.08597	44.4
109.06495	10.2
109.10151	29.6
110.84617	2.9
111.08067	5.4
115.05526	4.2
117.07030	28.2
119.08591	42.3
121.06497	8.4
121.10165	27.9
123.08057	5.0
123.11731	6.9
125.09638	6.8
127.03918	4.0
128.06236	4.8
129.07025	15.7
131.08577	27.1
133.10139	48.6
135.08072	7.1
135.11668	18.6
137.09602	4.3
141.07007	5.6
143.08620	17.8
144.09372	4.0
145.10130	26.5
147.11691	24.8
149.09625	13.6
149.13278	18.9
151.11188	6.8
155.08592	5.9
157.10118	13.9
159.11678	23.3
161.09659	4.8
161.13206	8.2
163.11194	12.0
169.10110	5.7
171.11671	9.3
173.13275	8.7
175.14818	4.8
177.12740	8.4
183.11707	7.5
184.07410	3.5
185.13231	3.8
197.13281	5.2
199.14851	5.9
213.16437	5.6
220.54410	3.2
229.14420	4.1
241.19644	6.3
243.21170	3.7
253.14272	11.0
254.14764	5.6
255.15752	9.0
256.47522	3.1
257.18991	8.1
259.20554	17.2
269.17432	18.7
273.18439	5.6
275.20187	16.5
291.19598	6.3
293.21057	20.5
315.23364	4.1
333.24249	14.6
335.25708	13.4
349.23608	13.9
367.24719	7.3
463.30463	6.3
527.37158	12.3
543.36487	5.2
547.35748	3.8
559.34442	3.6
561.37744	9.2
607.43408	4.0
625.44238	6.3
641.43616	4.7
659.44769	4.7
856.45148	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	856.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	74.3
65.03938	3.0
67.05505	59.6
69.03438	9.6
69.07074	12.1
71.04984	3.3
71.08623	1.7
71.16187	3.7
73.02917	26.0
79.05498	38.4
81.03399	5.4
81.06306	1.9
81.07059	64.5
83.08615	5.8
85.02905	99.2
85.06559	2.4
91.03955	80.0
91.05484	18.8
93.06470	3.2
93.07045	47.3
95.04971	4.0
95.08608	61.6
97.02896	48.7
97.06514	2.7
97.10158	3.9
99.04433	5.7
99.08091	3.8
101.25803	1.5
103.03963	3.9
105.07012	13.1
107.08601	32.4
109.02869	4.1
109.10153	31.6
111.08107	2.1
115.03928	5.9
117.07003	8.5
119.08559	13.0
121.10158	27.9
123.08083	2.1
123.11701	16.3
127.02978	2.1
127.03920	38.6
131.08577	18.3
133.10178	13.0
135.11690	23.8
137.13240	7.2
145.03902	3.4
145.04965	52.2
145.10139	14.7
147.11714	10.3
149.13266	22.8
151.14839	1.6
157.62274	1.7
159.11664	13.5
161.13251	9.5
163.06020	90.7
163.14854	16.9
165.12804	3.2
173.13272	11.7
175.14789	3.1
177.16354	6.6
179.14296	3.9
184.07329	2.5
187.14806	9.1
189.16249	2.0
201.16342	4.4
205.15863	2.3
233.22589	4.1
238.13159	1.8
243.21098	37.2
261.06982	1.9
261.22153	100.0
263.23691	3.7
279.23215	4.2
325.11444	4.8
335.25790	39.2
353.26865	77.4
389.09979	1.7
497.30994	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	856.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.6
67.05505	1.5
70.06583	0.6
71.58997	0.6
71.59415	0.7
79.05495	1.7
85.03829	0.4
86.09724	0.5
91.05481	1.0
93.07055	2.1
94.06576	2.3
94.63978	0.5
95.04944	0.5
95.08620	0.7
103.05488	1.5
105.44134	0.5
108.08126	1.4
118.06561	0.7
120.08114	10.0
122.06046	4.5
130.06540	7.3
134.06018	0.5
135.04425	0.6
136.07597	1.4
148.07581	14.4
149.08003	0.5
166.08705	1.1
172.07567	0.8
184.07401	1.0
219.09213	0.6
225.10309	0.8
227.11835	0.6
235.08708	1.2
247.08702	7.5
248.09535	0.7
249.10225	2.6
252.08815	0.5
255.11281	0.5
261.10275	1.3
263.11768	0.5
265.09589	0.8
273.10223	0.7
275.08215	0.7
277.09863	3.3
278.10519	0.7
291.11383	1.1
293.09326	1.0
303.07614	1.0
314.13049	0.8
319.10916	1.4
321.12546	0.8
324.11740	0.7
325.12546	0.6
326.13107	1.0
336.15131	1.1
337.13284	1.7
338.12885	1.4
339.14130	1.6
340.10892	0.8
340.14597	2.5
341.15070	0.6
342.12408	1.2
342.16193	0.9
352.11047	1.5
352.14676	1.3
353.11462	3.2
354.12466	2.8
354.16296	1.3
356.14078	1.5
356.18033	0.7
358.15851	0.7
364.14462	8.3
365.12094	0.8
366.12320	3.6
366.16461	1.0
367.13263	5.5
368.13901	6.6
368.17712	0.7
369.14932	2.2
370.15814	0.9
379.13437	0.9
380.10162	1.3
380.14157	2.1
381.10883	1.2
381.15103	1.0
382.10904	2.4
382.15823	11.7
383.16425	0.8
384.13068	0.8
384.17380	3.1
385.14984	0.7
392.13916	1.9
393.12302	0.7
394.11078	3.1
394.16562	2.7
395.12674	4.7
396.13376	9.5
396.17966	0.6
397.14322	2.5
400.16907	1.2
402.14691	0.6
408.13422	2.1
409.14371	1.2
410.14984	20.8
411.15781	1.1
412.16632	11.6
413.17245	0.7
414.14560	1.3
420.13318	0.8
424.16846	0.9
426.14624	2.2
428.16144	2.8
438.14496	21.7
439.14557	1.3
444.15524	1.5
452.16092	1.9
456.15585	14.1
470.17328	1.5
502.20746	0.7
517.22974	0.6
545.21893	0.5
591.22375	2.3
609.23566	3.9
615.22876	0.6
633.23669	1.2
651.24445	12.4
652.25281	0.9
677.22339	2.4
695.23474	100.0
696.23883	6.6
727.26318	0.6
739.26526	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	854.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.3
65.03926	2.1
67.05511	48.5
69.03447	11.3
69.06718	2.3
69.07074	35.1
69.54840	9.0
79.05499	44.2
81.03428	10.0
81.07065	51.4
83.05000	9.7
83.08625	13.3
85.02898	2.0
85.06553	2.6
91.05490	38.7
93.07050	42.0
95.01361	1.3
95.04975	12.7
95.08612	24.0
97.02909	9.3
97.06546	10.6
97.10184	16.7
99.08083	2.5
103.05431	1.3
105.06381	2.2
105.07047	30.7
107.04959	12.0
107.08602	28.5
109.02908	1.6
109.06541	5.5
109.10145	13.9
111.04434	1.3
111.08086	4.3
115.05478	2.0
117.07021	16.1
119.04940	2.0
119.08598	21.2
121.06513	5.9
121.10144	9.9
123.08049	4.5
123.11725	2.3
125.09646	11.7
127.03982	1.8
128.06247	1.7
129.07018	7.7
130.07794	2.7
131.08583	17.1
133.06496	5.0
133.10138	18.3
133.41011	1.1
134.07169	1.5
135.08083	4.6
135.11703	9.0
137.09625	4.2
143.08578	7.0
145.10133	13.6
147.04504	1.7
147.08054	6.3
147.11731	4.8
149.09650	8.7
149.13316	6.5
151.11194	4.6
153.09088	1.9
155.08540	3.1
157.10129	5.2
159.08063	1.6
159.11697	10.0
161.09647	4.0
161.13208	2.8
163.11183	7.7
165.09050	1.3
165.12747	1.6
169.10135	3.7
171.10275	1.7
171.11732	4.5
173.13252	3.6
175.11208	2.6
177.12675	3.1
179.14317	2.2
182.11018	1.5
185.13167	1.7
187.11066	1.4
187.91223	1.4
189.11255	7.2
189.12746	1.5
195.13797	3.8
197.13338	1.5
199.14774	1.8
203.14470	1.5
205.12256	2.9
205.15883	1.2
207.54852	1.2
223.13266	16.2
227.12862	10.9
249.14938	3.0
251.16539	1.6
253.14400	6.6
255.15965	4.5
257.18979	4.2
263.20090	1.4
267.15961	3.0
269.17462	14.5
273.18515	17.7
275.17264	1.7
275.20126	21.6
291.19556	100.0
292.19888	2.4
309.20477	1.5
330.69138	1.3
343.45197	1.3
347.22153	2.9
349.23773	16.3
350.15698	1.2
365.18982	2.5
365.23276	39.9
413.21646	2.4
447.27213	1.5
519.33392	1.8
527.33264	1.2
541.35376	2.7
543.37000	1.5
545.34821	12.3
557.34344	1.5
559.36359	42.2
560.36456	2.0
639.42444	21.3
640.42859	1.7
657.43359	4.6
698.58453	1.6
854.45642	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	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66142	1.4
65.03957	3.6
67.05509	54.6
69.03436	12.9
69.06715	2.7
69.07070	41.1
70.41945	5.4
71.05011	2.9
73.02922	2.0
77.03915	1.6
78.88630	1.6
79.05495	45.4
81.03421	14.0
81.07060	56.1
83.04982	9.0
83.08622	15.0
83.27257	1.6
85.02906	2.0
85.06532	3.9
91.05483	41.3
93.07044	41.4
95.04967	15.0
95.08611	23.5
97.02892	11.5
97.06530	11.6
97.10178	14.9
99.04473	1.5
99.08006	1.6
105.07043	30.4
107.04939	10.4
107.07880	1.6
107.08599	32.4
109.06528	6.7
109.10153	15.2
111.04497	2.0
111.08085	2.9
115.05425	2.8
117.07019	16.6
119.08593	25.9
121.06514	6.1
121.10166	16.7
123.08092	6.0
123.11682	4.4
125.09633	13.8
127.03914	1.9
128.06262	1.8
129.07036	7.4
130.07811	1.9
131.08586	18.5
133.06502	3.7
133.10138	22.3
135.08063	5.5
135.11681	10.8
137.09608	3.5
141.07016	1.6
143.08560	4.9
145.06453	1.8
145.10136	15.1
147.04366	1.5
147.08041	6.9
147.11687	6.8
149.09630	11.8
149.13222	6.9
151.11183	4.4
153.07068	1.9
153.09148	2.1
155.08516	2.0
157.10156	4.7
159.11707	10.3
161.09711	2.9
161.13246	1.6
162.06371	1.5
163.11255	8.1
165.09055	1.9
165.12672	1.9
169.10199	3.5
169.12361	1.9
171.10146	1.4
171.11717	3.1
173.11900	1.9
173.13277	4.6
175.11168	3.7
177.12773	3.7
179.14360	2.6
183.11681	3.5
185.13080	2.1
189.11270	7.1
189.12727	1.6
195.13834	4.1
198.54945	1.5
199.11072	1.7
199.14920	1.8
200.19324	1.7
205.12276	2.2
223.13307	18.4
227.12804	11.7
239.17926	2.2
245.19125	2.3
249.14844	4.0
253.14398	5.3
255.15825	4.3
257.19031	7.2
267.15747	3.3
269.17526	13.7
273.18509	16.9
275.20041	24.7
291.19553	100.0
331.22458	2.5
347.22272	4.6
349.23767	20.5
365.23260	38.0
367.24762	2.3
461.29153	1.8
512.71564	1.7
517.31982	2.1
530.39252	1.8
541.35376	2.9
545.34827	12.7
559.36346	42.7
560.36633	3.6
621.40973	2.1
639.42639	20.2
640.42645	1.7
854.44934	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	852.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02943	1.2
62.06091	1.8
62.27517	0.4
65.03928	1.1
67.05507	4.3
68.05016	0.5
68.80640	0.4
68.99787	0.5
69.03432	7.9
69.07076	14.1
69.55631	2.4
70.00718	0.5
70.06588	2.0
71.04994	1.3
71.07359	0.5
72.08164	3.7
73.02920	1.1
73.06558	1.0
79.05508	3.8
81.03421	7.7
81.05820	0.7
81.07069	6.0
83.04994	1.0
83.08620	3.9
84.04486	0.7
84.08147	1.5
85.02912	12.9
86.06075	31.9
87.00830	3.9
87.04479	0.6
89.03917	2.1
91.05491	2.2
92.06386	0.4
93.07058	4.0
94.06585	0.7
95.04976	1.6
95.08614	4.2
96.08142	10.6
97.02901	6.0
97.06548	4.0
97.10198	0.8
98.06060	2.0
98.09704	9.3
99.04484	4.1
99.08152	0.5
101.02436	0.6
105.01904	2.7
105.06990	1.1
107.04950	1.3
107.08613	3.6
108.08105	3.3
109.02902	6.3
109.06511	0.8
109.10152	1.5
110.09706	1.3
111.04464	2.2
111.08105	1.1
112.07605	0.7
114.09164	2.3
115.07571	3.8
116.10742	64.6
117.03434	2.2
117.11124	0.7
119.08574	0.9
120.08138	0.6
121.08899	0.7
121.10162	1.5
122.09666	2.9
123.04439	2.9
123.11763	1.0
124.07594	3.3
124.11221	0.5
125.09676	0.8
126.09143	1.0
127.03925	9.5
127.63164	0.5
129.01878	0.9
131.08589	1.0
133.02802	0.4
133.10156	1.1
134.09683	0.9
135.04439	5.4
135.11732	0.9
136.11200	0.9
137.02373	1.1
138.09157	0.6
139.03909	2.7
140.10730	1.5
142.08646	14.7
145.02866	2.7
145.04990	1.6
145.10161	0.5
147.02878	0.6
147.04512	0.7
149.13261	4.6
151.03905	0.8
151.11182	1.1
152.10701	0.9
154.12309	0.7
159.02850	0.9
159.11670	0.9
163.03922	21.0
164.04277	1.3
167.14404	1.2
173.02345	0.5
181.04912	2.3
184.17078	0.5
191.03418	1.1
194.15454	1.3
212.16478	47.3
213.03871	0.9
213.16792	0.7
215.17940	0.5
221.06003	1.2
223.07654	0.5
230.17531	23.9
231.04980	1.5
231.15962	1.6
237.05441	0.5
238.18091	3.0
239.06975	0.6
239.16451	1.9
249.05602	1.4
256.19144	6.9
257.17499	5.4
264.23270	0.7
265.04999	0.7
267.06461	1.0
268.22818	0.8
271.05927	0.9
274.21729	0.8
280.22757	0.9
285.07632	0.8
292.22720	2.4
295.05966	4.7
296.06506	1.1
297.07385	0.5
310.23795	14.3
311.24017	0.5
313.07156	1.6
328.24847	100.0
329.25159	2.8
331.08295	0.5
416.22916	0.6
424.30606	11.9
442.31683	16.5
443.31546	0.6
460.21976	2.2
478.22702	2.6
490.30261	2.0
492.10223	0.7
493.11243	0.9
532.31128	1.7
576.30133	15.5
577.29657	0.9
586.35046	0.5
622.27075	1.0
626.11670	0.5
640.27875	0.8
672.35541	1.4
690.36810	2.6
738.35315	2.6
834.40948	1.0
852.41687	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	852.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02943	1.2
62.06091	1.8
62.27517	0.4
65.03928	1.1
67.05507	4.3
68.05016	0.5
68.80640	0.4
68.99787	0.5
69.03432	7.9
69.07076	14.1
69.55631	2.4
70.00718	0.5
70.06588	2.0
71.04994	1.3
71.07359	0.5
72.08164	3.7
73.02920	1.1
73.06558	1.0
79.05508	3.8
81.03421	7.7
81.05820	0.7
81.07069	6.0
83.04994	1.0
83.08620	3.9
84.04486	0.7
84.08147	1.5
85.02912	12.9
86.06075	31.9
87.00830	3.9
87.04479	0.6
89.03917	2.1
91.05491	2.2
92.06386	0.4
93.07058	4.0
94.06585	0.7
95.04976	1.6
95.08614	4.2
96.08142	10.6
97.02901	6.0
97.06548	4.0
97.10198	0.8
98.06060	2.0
98.09704	9.3
99.04484	4.1
99.08152	0.5
101.02436	0.6
105.01904	2.7
105.06990	1.1
107.04950	1.3
107.08613	3.6
108.08105	3.3
109.02902	6.3
109.06511	0.8
109.10152	1.5
110.09706	1.3
111.04464	2.2
111.08105	1.1
112.07605	0.7
114.09164	2.3
115.07571	3.8
116.10742	64.6
117.03434	2.2
117.11124	0.7
119.08574	0.9
120.08138	0.6
121.08899	0.7
121.10162	1.5
122.09666	2.9
123.04439	2.9
123.11763	1.0
124.07594	3.3
124.11221	0.5
125.09676	0.8
126.09143	1.0
127.03925	9.5
127.63164	0.5
129.01878	0.9
131.08589	1.0
133.02802	0.4
133.10156	1.1
134.09683	0.9
135.04439	5.4
135.11732	0.9
136.11200	0.9
137.02373	1.1
138.09157	0.6
139.03909	2.7
140.10730	1.5
142.08646	14.7
145.02866	2.7
145.04990	1.6
145.10161	0.5
147.02878	0.6
147.04512	0.7
149.13261	4.6
151.03905	0.8
151.11182	1.1
152.10701	0.9
154.12309	0.7
159.02850	0.9
159.11670	0.9
163.03922	21.0
164.04277	1.3
167.14404	1.2
173.02345	0.5
181.04912	2.3
184.17078	0.5
191.03418	1.1
194.15454	1.3
212.16478	47.3
213.03871	0.9
213.16792	0.7
215.17940	0.5
221.06003	1.2
223.07654	0.5
230.17531	23.9
231.04980	1.5
231.15962	1.6
237.05441	0.5
238.18091	3.0
239.06975	0.6
239.16451	1.9
249.05602	1.4
256.19144	6.9
257.17499	5.4
264.23270	0.7
265.04999	0.7
267.06461	1.0
268.22818	0.8
271.05927	0.9
274.21729	0.8
280.22757	0.9
285.07632	0.8
292.22720	2.4
295.05966	4.7
296.06506	1.1
297.07385	0.5
310.23795	14.3
311.24017	0.5
313.07156	1.6
328.24847	100.0
329.25159	2.8
331.08295	0.5
416.22916	0.6
424.30606	11.9
442.31683	16.5
443.31546	0.6
460.21976	2.2
478.22702	2.6
490.30261	2.0
492.10223	0.7
493.11243	0.9
532.31128	1.7
576.30133	15.5
577.29657	0.9
586.35046	0.5
622.27075	1.0
626.11670	0.5
640.27875	0.8
672.35541	1.4
690.36810	2.6
738.35315	2.6
834.40948	1.0
852.41687	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	851.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	0.5
61.02930	5.3
61.26184	0.5
67.05509	2.6
69.03433	4.4
69.07081	0.8
71.59097	0.6
73.02925	3.1
73.15525	0.4
79.05502	4.7
81.03431	2.6
81.07065	2.6
85.02911	5.7
85.95399	0.5
91.03952	3.1
91.05486	5.0
93.07047	4.5
95.04974	1.9
95.08614	1.8
97.02908	6.3
99.04465	0.8
101.02399	1.8
105.07045	3.1
107.08601	1.3
109.02899	1.3
109.06563	0.6
115.03936	0.9
117.07029	0.7
119.08618	2.0
127.03958	1.8
129.07036	1.3
133.10153	0.8
135.04471	0.8
143.08585	1.0
145.10152	1.0
147.11662	2.4
161.13362	0.8
163.03914	2.6
171.11746	1.7
189.12711	0.5
207.13876	0.9
243.08536	1.4
247.13152	2.3
260.93832	0.5
281.17450	0.6
303.15787	1.4
347.09543	1.8
363.08826	0.5
365.10632	0.8
405.13766	5.0
465.20987	14.5
466.21292	0.7
552.64569	0.6
555.50671	0.6
627.26300	11.4
689.35309	2.0
851.40356	100.0
852.40900	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	850.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00837	0.8
59.04987	2.5
61.02929	8.5
65.03924	1.5
67.05505	72.7
69.03422	2.0
69.07072	8.5
71.04977	2.7
71.08625	1.1
71.58862	0.9
73.02909	2.9
79.05087	1.0
79.05490	7.0
81.07056	28.7
83.04977	1.3
83.08617	9.6
85.02906	10.1
85.06536	2.4
91.03954	6.3
91.05477	8.2
93.07043	7.2
95.04962	1.1
95.08608	23.1
97.02905	6.2
97.06518	1.8
97.10162	3.4
99.08033	1.0
105.07010	3.5
107.08605	7.0
109.10157	64.5
110.10464	1.0
111.08071	3.3
119.08585	7.9
121.10128	4.1
123.11707	4.2
125.09607	1.0
127.03906	2.7
133.10170	4.3
135.11668	1.6
137.09599	3.6
137.13232	1.2
145.04956	3.4
147.11673	2.2
149.13258	2.1
155.10666	4.6
161.13219	2.1
163.06007	3.9
163.14827	1.8
173.11737	18.5
175.14783	1.2
183.13904	0.8
184.07320	1.8
187.22536	0.8
227.12845	2.4
229.14357	100.0
230.14760	2.2
245.22688	1.4
263.23688	4.8
319.42917	0.8
337.27365	61.3
338.27655	2.4
377.26828	0.9
473.36716	0.8
486.89761	0.8
491.37317	60.2
492.37845	1.8
800.98340	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	850.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00837	0.8
59.04987	2.5
61.02929	8.5
65.03924	1.5
67.05505	72.7
69.03422	2.0
69.07072	8.5
71.04977	2.7
71.08625	1.1
71.58862	0.9
73.02909	2.9
79.05087	1.0
79.05490	7.0
81.07056	28.7
83.04977	1.3
83.08617	9.6
85.02906	10.1
85.06536	2.4
91.03954	6.3
91.05477	8.2
93.07043	7.2
95.04962	1.1
95.08608	23.1
97.02905	6.2
97.06518	1.8
97.10162	3.4
99.08033	1.0
105.07010	3.5
107.08605	7.0
109.10157	64.5
110.10464	1.0
111.08071	3.3
119.08585	7.9
121.10128	4.1
123.11707	4.2
125.09607	1.0
127.03906	2.7
133.10170	4.3
135.11668	1.6
137.09599	3.6
137.13232	1.2
145.04956	3.4
147.11673	2.2
149.13258	2.1
155.10666	4.6
161.13219	2.1
163.06007	3.9
163.14827	1.8
173.11737	18.5
175.14783	1.2
183.13904	0.8
184.07320	1.8
187.22536	0.8
227.12845	2.4
229.14357	100.0
230.14760	2.2
245.22688	1.4
263.23688	4.8
319.42917	0.8
337.27365	61.3
338.27655	2.4
377.26828	0.9
473.36716	0.8
486.89761	0.8
491.37317	60.2
492.37845	1.8
800.98340	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	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	2.7
61.02928	11.2
65.03948	2.4
67.05509	100.0
68.05851	1.0
69.03434	3.0
69.07063	9.2
69.07402	0.8
69.55012	4.5
71.04993	4.1
73.02934	3.3
73.03284	0.7
76.60207	0.6
79.05496	23.0
81.03419	1.5
81.07064	39.3
81.69858	0.6
83.04987	1.3
83.08626	9.8
85.02913	13.1
85.06551	2.9
91.03961	8.0
91.04950	1.2
91.05489	15.0
93.07052	29.0
95.04981	2.3
95.08615	28.8
97.02906	7.3
97.06540	2.2
97.10172	2.0
99.08085	0.8
105.07049	8.3
107.08609	16.1
109.02893	1.1
109.06544	1.9
109.10164	79.3
109.17625	0.6
110.10522	1.2
111.08089	3.0
117.07031	3.6
119.08588	11.5
121.10154	13.9
123.11736	4.3
125.09642	1.8
127.03937	3.0
131.08598	6.4
133.10144	5.9
133.40578	0.6
135.11716	8.4
137.09647	3.4
137.13257	1.0
145.04962	4.7
145.10123	4.9
147.11711	4.5
149.13252	4.8
152.72876	0.7
155.10680	6.2
157.10191	0.7
159.11739	4.2
161.13264	3.4
163.06006	4.6
163.11266	0.7
163.14861	2.6
173.11797	18.8
173.13287	4.2
187.14818	2.1
189.11235	0.9
201.16472	1.1
227.12766	5.6
229.14372	85.6
230.14716	1.4
243.21155	5.0
261.22147	20.7
315.41214	0.8
317.24823	3.3
335.25824	67.9
336.26175	2.3
379.29803	1.1
397.31058	1.8
415.32071	1.9
471.34653	1.8
479.97961	0.6
489.35767	71.3
490.35895	2.6
507.36893	6.3
633.39966	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	848.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	4.0
61.02932	9.3
62.80751	0.6
65.03946	2.2
67.05508	97.6
68.50896	0.8
69.03434	3.6
69.07071	7.0
69.25923	1.2
69.26331	5.8
71.04994	2.7
71.08604	1.0
73.01295	0.6
73.02909	3.7
79.05500	18.2
81.03437	1.9
81.07063	34.6
83.08625	8.6
84.83486	0.6
85.02909	12.7
85.06536	3.2
91.03957	9.1
91.05487	13.2
93.07051	22.4
95.04981	2.3
95.08615	24.8
96.04491	0.6
97.02888	7.0
97.06521	1.6
97.10174	2.6
99.04487	0.9
99.08091	1.1
105.07021	5.1
106.48355	0.7
107.08601	14.8
109.06535	0.7
109.10162	73.0
111.08092	3.7
115.03937	1.2
117.07007	3.2
119.08584	10.4
121.10152	11.3
123.11739	3.1
125.09608	1.5
127.03925	3.1
127.11143	0.8
130.35274	0.6
131.08572	5.4
133.10115	5.1
135.08102	0.6
135.11711	7.9
137.09630	4.9
137.13254	1.1
139.11165	0.7
140.85301	0.6
145.04953	3.8
145.10143	3.2
147.11684	4.8
149.13258	3.6
155.10707	4.8
159.11717	3.8
161.13257	3.2
163.05977	4.4
163.14868	3.0
173.10251	1.0
173.11772	19.9
173.13287	2.5
174.12051	0.8
175.14842	0.9
177.16322	0.8
184.07433	1.1
187.14854	1.8
189.11261	1.5
189.16444	0.6
225.89537	0.7
227.12805	8.2
229.14365	100.0
230.14719	1.8
233.22673	1.0
243.21114	5.4
261.22150	19.9
317.24826	2.4
335.25815	65.9
336.26071	1.8
379.29919	1.0
397.30914	1.9
415.32068	2.0
471.34622	2.0
489.35791	44.4
490.35941	1.9
507.36801	6.1
848.51160	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	846.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62641	0.5
61.02930	2.2
65.03951	1.4
65.66091	0.6
67.05509	21.9
69.03442	0.6
69.07070	4.6
71.05001	0.7
71.48519	0.7
73.02911	0.7
73.06550	1.2
79.05496	34.8
81.03432	3.8
81.07058	18.9
83.04981	6.3
83.08645	4.0
85.02917	2.1
85.06560	1.4
91.03947	0.9
91.05487	25.8
93.07050	34.7
93.24591	0.6
95.04974	7.6
95.08621	10.1
97.06519	2.4
97.10132	0.9
105.04493	0.8
105.07039	19.5
107.04977	2.6
107.08595	7.4
109.06519	2.9
109.10172	1.9
117.07036	4.7
119.08584	11.1
121.06521	1.2
121.10181	1.6
123.08079	3.7
128.06258	1.1
129.07014	8.5
131.08589	2.3
133.10143	5.9
135.08051	0.8
135.11658	1.8
143.08620	3.5
145.10126	5.2
147.08112	1.3
147.11697	19.1
149.67914	0.6
160.46007	0.6
161.09630	1.8
161.13246	6.4
163.11267	1.1
169.10289	0.7
171.11696	14.2
185.26633	0.6
189.12727	6.2
207.13812	14.8
225.14897	1.7
263.16565	1.2
281.17484	39.3
282.17886	1.1
405.23923	0.7
469.29657	2.2
487.30569	100.0
488.30960	5.2
631.34418	0.7
866.95258	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	846.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01945	0.9
65.03941	2.4
68.72857	0.8
70.64891	1.3
70.65250	2.6
77.03899	0.8
79.05503	3.7
89.03912	1.2
91.05493	4.7
93.07032	1.6
94.06575	3.3
95.04967	0.9
103.05456	3.1
106.06606	1.1
108.04488	3.4
108.08137	4.8
108.59231	1.0
111.04474	1.5
116.04963	2.0
118.06544	4.6
120.04476	31.9
120.08115	13.9
122.06030	8.1
124.07629	1.7
130.06557	1.6
134.06099	0.9
135.04425	1.8
136.07585	15.4
138.05501	4.3
138.09195	1.4
139.03964	2.1
144.04491	4.2
144.08041	1.2
146.06018	21.8
147.06371	0.9
148.07585	49.3
158.05992	1.9
160.03960	2.7
160.07524	1.1
162.05510	3.1
163.03862	1.7
163.40320	0.9
164.07103	4.0
166.08617	1.4
170.06027	7.3
172.03957	17.5
172.07651	4.9
174.05447	1.4
176.07076	2.6
184.07578	2.6
186.05527	9.4
188.07086	9.1
190.05009	28.2
198.05563	7.3
204.06573	36.1
206.08105	1.6
207.09113	1.2
208.09734	0.9
211.12296	2.0
212.07054	1.2
214.08627	2.8
216.06598	6.1
218.08153	3.2
221.10719	1.2
223.12358	1.3
224.09297	1.1
227.11801	11.2
230.08284	1.2
232.06062	12.4
234.07555	2.0
236.09445	2.3
237.10306	2.8
238.04893	1.2
240.06581	4.9
242.04555	1.3
246.11565	3.6
249.10339	3.4
250.10927	1.5
251.11766	3.5
252.08636	5.5
255.11284	12.3
258.07648	4.7
259.35367	1.1
261.10318	2.5
262.11017	1.8
263.11798	3.4
264.08932	1.8
273.12381	3.0
275.11734	3.1
277.09723	2.8
278.10544	1.9
279.11368	8.7
281.12888	3.0
287.11957	1.3
289.09821	4.3
290.10437	1.9
291.11316	4.1
293.12842	3.8
297.12445	2.6
303.11334	4.0
304.07983	1.1
305.09195	16.9
305.12881	10.6
307.10846	7.0
309.12259	1.2
315.13705	1.2
316.08212	2.7
317.09106	6.2
318.09851	2.0
321.12314	3.5
325.11972	5.1
331.10730	2.1
333.12317	2.8
335.10196	2.3
337.12030	1.4
339.13461	5.0
341.11279	3.8
349.11862	3.7
359.12671	8.1
365.11316	7.1
367.13007	1.4
377.11365	11.4
397.13925	10.6
411.11841	12.7
412.20236	1.3
429.13031	2.2
443.14413	2.7
453.28073	1.1
472.22455	1.1
476.21622	1.2
484.18396	1.7
486.20377	1.4
504.21066	1.8
512.18079	7.2
530.18921	4.1
544.20740	2.7
548.20197	4.5
562.22522	1.2
572.20422	10.2
598.18195	7.3
616.19293	100.0
617.19745	5.3
634.19989	3.0
648.21924	12.1
717.66870	1.0
814.23822	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	846.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50791	0.6
65.03942	2.0
66.68810	0.5
71.59460	0.6
73.62380	0.6
77.03939	0.6
79.05511	2.5
80.05026	0.9
89.03921	1.0
91.05486	4.6
93.03408	0.8
93.07019	3.2
94.06590	4.3
103.05476	3.3
106.06570	0.8
107.07325	0.6
108.04511	2.1
108.08133	4.7
109.08521	0.7
111.04472	2.6
116.05005	2.5
117.05797	0.9
118.06559	4.3
119.07371	1.0
120.04475	32.1
120.08113	16.8
122.06036	8.9
124.07598	1.9
130.06560	3.9
131.07004	0.7
132.08105	1.2
134.06033	1.5
135.04463	1.9
136.07579	13.5
136.08549	1.0
138.05521	4.6
138.09196	1.9
139.03935	2.9
142.06525	0.8
144.04466	4.5
144.08125	2.2
146.06017	26.3
148.07581	46.3
150.09189	1.6
156.08044	0.7
158.06018	1.5
160.03979	2.4
160.07588	1.5
162.05504	4.5
162.09219	0.7
163.03947	1.7
164.07094	3.3
165.10291	0.7
166.08653	2.8
170.06009	6.2
171.06905	0.7
172.03944	16.7
172.07549	4.4
174.05540	2.6
176.07112	2.6
177.10217	0.7
178.05040	1.4
183.09218	0.8
184.07643	2.3
186.05522	9.1
188.07065	7.6
190.05002	26.9
198.05518	5.5
199.12311	0.9
200.07077	0.6
201.14018	0.7
204.06577	33.6
205.06934	0.9
206.08192	0.9
208.09726	0.7
209.10794	0.6
210.05534	0.9
211.12360	1.2
212.07201	1.3
212.09552	0.7
214.08757	2.6
216.06589	6.5
216.44957	0.8
218.08200	2.8
223.12418	1.3
224.09195	0.8
225.10204	0.8
227.11787	11.9
232.06061	10.8
233.10831	1.0
234.07700	2.0
236.09593	1.9
237.10229	2.3
238.05109	1.9
238.10977	0.9
240.06633	5.1
242.04590	0.8
245.13011	1.1
246.11501	2.9
247.12318	0.8
248.09546	0.8
249.10190	4.0
250.11066	1.8
251.11777	3.2
252.08675	6.1
253.09479	1.1
255.11311	10.9
258.07642	4.6
260.09543	1.0
261.10263	1.9
262.11200	1.3
263.08749	0.8
263.11887	3.3
264.06317	0.7
264.09045	2.0
265.09824	1.2
266.04453	0.8
273.12503	3.0
275.11780	3.6
276.08936	1.4
276.12430	0.6
277.09766	3.0
278.10562	1.6
279.11334	8.6
281.12946	2.2
289.09708	4.6
290.10635	1.4
291.11313	4.0
292.12128	0.7
293.12900	2.1
297.12289	3.4
303.11252	3.3
304.08527	1.2
305.09280	16.7
305.12927	8.8
307.10791	7.5
309.12344	1.0
311.14069	0.7
315.10919	1.1
315.13953	1.3
316.08179	2.6
317.09232	6.2
317.12396	0.8
318.10062	2.8
319.10886	2.1
320.11691	1.1
321.12503	2.6
325.11890	2.9
331.10831	2.5
333.12439	3.3
335.10190	2.8
337.11880	0.9
339.13367	5.1
341.11432	2.9
347.10391	0.8
349.11807	4.1
351.13394	1.0
359.12589	7.1
365.11267	6.6
367.13016	2.5
377.11310	12.3
385.13943	2.0
397.13959	10.9
411.11862	13.0
412.20319	1.1
416.19882	0.8
424.16333	1.1
429.13022	2.1
443.14386	3.1
444.19449	1.1
452.16095	0.7
468.19778	0.9
472.22644	0.9
484.18692	1.2
486.20468	1.2
500.22021	0.9
504.21237	1.4
512.18317	6.7
513.20020	0.6
530.19257	4.8
543.22571	1.0
544.22339	3.0
548.20239	3.6
562.22223	0.8
572.20313	9.2
588.20050	1.6
590.21155	0.7
598.18250	7.6
616.19287	100.0
617.19232	5.7
630.20386	0.7
634.20020	1.8
648.21899	10.1
649.21533	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	846.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.6
68.87271	0.7
69.56374	5.6
79.05499	2.7
80.05032	1.5
81.07069	1.3
91.05470	4.0
93.05795	1.1
93.07054	2.7
94.06585	4.4
96.08139	0.8
97.97471	0.8
98.20677	0.8
103.05451	4.0
107.04887	0.7
108.04485	2.1
108.08144	6.0
111.04456	1.8
116.05014	3.0
117.03397	0.9
118.06572	5.6
119.07366	1.3
120.04481	30.5
120.08128	16.4
122.06055	6.9
123.04389	0.9
124.07630	1.4
130.06528	1.8
134.06003	2.2
135.04451	2.3
136.07600	14.7
138.05524	5.0
138.09111	1.5
139.03900	2.1
144.04482	5.4
144.08128	2.4
146.06029	26.2
148.07591	45.1
150.09177	1.2
158.06084	2.3
160.03964	2.6
160.07614	1.4
162.05519	3.7
163.03941	2.0
164.07074	4.6
166.08710	2.7
170.06027	5.8
172.03966	15.0
172.07658	3.9
174.05562	2.3
176.07071	2.6
182.09639	0.9
184.07607	1.9
186.05513	10.8
188.07103	7.9
190.05017	26.4
198.05534	5.7
201.13858	0.9
204.06596	38.6
206.08244	2.1
208.06142	1.2
208.09850	1.1
212.07152	1.6
214.04974	0.9
214.08626	2.2
216.06598	5.5
218.08122	1.9
221.10887	0.9
223.12392	1.6
227.11800	10.9
232.06104	10.5
234.07698	2.8
235.12326	1.0
236.09511	2.6
237.10265	2.0
238.05057	1.9
238.11180	1.2
240.06572	4.8
245.12991	1.2
246.11548	2.5
249.10257	4.8
250.11116	1.8
251.11937	3.9
252.08701	7.3
253.13483	1.0
255.11362	9.8
258.07507	3.9
261.10165	1.4
263.11841	3.1
264.09030	1.6
265.09747	1.7
273.12418	4.6
275.08289	1.4
275.11856	3.4
276.09070	1.3
277.09784	3.2
277.13351	1.2
278.10388	1.8
279.11359	9.9
281.12885	3.1
289.09756	4.7
290.10422	2.1
291.11389	2.8
293.12982	3.1
297.12277	2.7
303.11346	2.5
304.08563	1.1
305.09238	18.4
305.12888	11.8
306.10040	1.6
307.10931	7.6
307.14203	1.3
309.12265	1.5
315.11093	1.5
316.08157	4.0
317.09314	6.1
318.09991	2.5
319.10660	1.8
320.11774	1.0
321.12265	2.9
325.11835	3.5
331.10742	2.4
333.12415	3.7
335.10147	2.2
337.11856	1.3
339.13373	5.5
341.11328	2.8
349.11783	4.4
359.12811	6.8
364.10699	1.6
365.11401	7.6
367.12842	1.3
377.11392	11.3
385.13901	1.4
397.13922	11.2
411.11926	13.9
412.20297	1.9
416.19849	1.3
429.12717	2.0
443.14572	2.3
452.16165	1.1
472.22531	1.3
484.19000	1.1
486.19775	1.3
500.21729	1.5
504.21457	2.1
512.18164	6.5
513.49670	1.0
530.19135	4.1
544.20453	2.1
548.20563	4.0
572.20496	10.4
588.19690	1.9
598.18231	9.9
604.22461	1.6
616.19324	100.0
617.19702	6.9
634.20288	2.9
648.21924	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	846.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.1
69.25504	7.9
79.05486	1.5
86.11459	0.8
89.03934	1.3
91.05480	3.8
92.04974	1.1
93.07036	3.6
94.06557	4.7
95.04982	0.9
98.20787	2.1
99.12784	0.7
103.05487	3.2
105.05820	1.3
106.06571	1.1
107.04963	0.9
108.04501	2.4
108.08112	6.3
110.09710	1.2
111.04474	2.3
116.05004	2.7
117.05727	0.8
118.06567	5.7
120.04470	29.4
120.08109	15.6
120.49892	0.7
122.06032	7.6
124.07563	1.5
130.06548	2.6
132.08153	0.7
134.06038	1.1
135.04469	1.6
136.07584	16.3
138.05518	4.6
138.09235	1.3
139.03934	1.8
144.04491	4.3
144.08098	2.3
146.06012	24.5
147.04489	1.1
148.07582	48.1
150.09241	1.1
158.06038	1.7
160.04051	1.8
160.07617	1.3
162.05551	3.4
163.03941	1.6
164.07133	3.2
166.08676	1.9
170.06049	5.4
172.03941	16.9
172.07594	2.8
174.05573	2.4
174.09174	0.8
176.07082	2.5
177.10306	1.0
178.04984	1.4
184.07613	3.0
186.05481	9.2
188.07076	7.0
190.05000	26.1
198.05478	6.9
198.11516	1.2
204.06578	36.2
205.06981	0.9
208.09814	1.0
211.12225	1.4
212.07295	1.2
214.08722	1.7
216.06514	4.3
218.08176	2.7
221.10892	1.1
227.11803	9.8
232.06035	10.2
234.07539	1.4
236.09457	1.4
237.10297	3.2
238.05026	2.5
240.06509	6.1
242.04636	1.0
245.12912	1.0
246.11610	3.4
247.12135	1.5
249.10233	4.3
250.10985	1.1
251.11668	3.9
252.08676	6.3
253.13411	1.3
255.11316	10.3
256.06113	1.2
258.07574	5.2
260.09650	0.8
261.10321	2.2
262.11069	1.3
263.11829	2.5
264.09106	1.1
273.12463	3.8
275.11893	3.4
276.09109	0.9
277.09814	3.2
278.10416	1.5
279.11282	7.4
281.12894	2.2
289.09720	4.6
290.10544	1.4
291.11337	2.3
293.12936	2.5
297.12427	2.3
303.11206	3.8
304.08481	1.1
304.11884	1.0
305.09256	17.5
305.12909	9.6
307.10672	7.9
307.13626	0.8
309.12366	0.9
315.10812	1.4
315.13882	1.4
316.08273	3.2
317.09311	5.4
318.09937	1.8
319.10837	1.7
321.12436	2.7
325.11722	3.6
331.10919	2.8
333.12418	2.4
335.10535	3.1
337.12057	1.4
339.13342	4.6
341.11374	2.1
347.10266	0.9
349.11835	4.9
351.13638	1.4
359.12656	7.4
364.10464	1.3
365.11295	8.2
367.12997	1.3
368.18262	0.9
377.11322	13.2
385.13986	1.7
397.14008	11.9
409.14102	1.0
411.11865	14.8
411.16794	1.3
412.20255	1.0
424.16412	1.0
429.13150	1.9
443.14551	3.0
444.18991	1.2
452.16309	1.0
468.18933	1.2
470.17084	0.9
472.22244	1.0
500.22040	1.0
504.21649	1.7
512.18329	7.9
513.20227	1.0
530.19354	5.1
543.22363	1.1
544.21588	3.1
548.20142	4.7
554.18658	1.0
562.21967	1.1
572.20453	8.9
588.19781	1.6
598.18188	8.7
616.19287	100.0
617.19525	5.1
634.20349	3.3
648.21741	9.7
649.22614	0.8
814.24573	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	846.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.2
70.12038	3.1
70.12429	1.8
74.94714	1.2
79.05491	3.7
89.03928	1.6
89.58687	1.0
91.05486	5.9
92.04968	1.1
93.07052	4.5
94.06572	4.8
96.08105	1.3
98.20763	1.6
103.05449	3.9
108.04515	2.8
108.08114	5.4
108.86242	1.3
111.04429	3.3
116.04967	2.4
118.06528	4.9
119.07314	1.3
119.08597	1.9
120.04470	27.6
120.08115	16.3
122.06026	8.6
124.07545	1.8
130.06537	2.4
131.04948	2.3
132.08028	1.3
135.04372	3.2
136.07596	15.1
138.05513	5.2
139.03876	2.4
144.04449	2.4
144.08104	3.0
146.06015	24.3
147.04440	2.1
148.07581	44.9
158.06053	1.8
160.03990	1.7
162.05551	3.0
163.03883	3.0
164.07050	4.3
166.08659	3.4
170.06033	5.8
172.03934	14.6
172.07576	2.5
174.05501	2.1
176.07072	4.0
178.04924	1.5
184.07565	2.6
186.05518	10.2
186.09175	1.3
188.07028	5.8
190.04996	27.3
198.05513	6.2
204.06573	34.7
204.08453	2.0
206.08148	1.3
212.07161	2.0
214.08754	2.2
216.06567	5.1
218.08138	2.8
223.12384	1.9
227.11790	10.6
232.06148	9.9
235.12245	1.7
235.74217	1.2
237.10182	1.8
238.05029	1.8
240.06662	5.6
242.04469	1.4
245.12854	1.9
246.11588	3.1
249.10254	3.8
251.11798	2.7
252.06445	1.1
252.08743	7.6
255.11278	9.5
258.07578	4.2
261.10199	2.0
262.11096	1.5
263.11850	3.4
265.09735	1.5
271.06076	7.9
272.06375	4.1
273.12231	2.7
275.11832	2.4
277.09726	4.0
279.11295	8.6
281.12988	1.6
284.05350	1.5
289.09695	4.7
291.11163	3.2
293.12869	3.1
294.10089	1.5
297.12344	2.5
303.11362	3.1
305.09195	17.6
305.12833	12.0
307.10889	6.0
314.39920	1.2
315.13721	2.0
316.08307	2.4
317.09335	6.0
318.10114	2.5
319.10754	1.3
321.12341	2.2
325.11819	3.0
331.10843	1.8
333.12372	2.8
335.10233	1.8
337.11816	1.2
339.13470	4.9
341.11301	4.2
349.11823	2.9
359.12662	8.5
364.10278	1.4
365.11249	6.9
377.11310	11.6
385.13943	1.8
397.13919	9.8
411.11783	10.4
429.13086	3.9
443.14310	3.7
452.16403	1.6
500.21790	2.5
512.18414	8.1
530.18994	4.9
548.20013	4.0
556.15527	1.5
572.20129	9.9
598.17865	8.3
616.19281	100.0
617.19415	5.6
634.20087	3.3
648.21814	12.7
814.23914	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	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.8
66.59593	0.5
67.05512	4.7
69.03444	3.0
69.07082	2.8
71.04993	0.9
71.59899	0.6
73.02920	3.2
79.05493	5.0
81.03428	1.6
81.07063	5.1
83.05004	0.6
83.08632	0.7
85.02902	4.1
91.03951	2.5
91.05479	4.7
93.07057	4.9
95.04999	1.3
95.08591	3.0
97.02901	3.5
99.04475	0.8
101.02402	1.7
105.07036	3.0
107.04984	0.5
107.08633	3.0
109.06548	0.5
109.10146	1.2
117.07060	0.9
119.08572	3.1
121.10169	1.6
127.03937	1.2
129.06998	0.6
131.08607	1.3
133.10191	2.4
135.11697	2.0
143.08521	0.8
145.10149	1.1
147.11732	1.2
149.09698	0.5
157.02533	0.5
157.10194	0.5
159.11731	0.5
184.07359	1.1
185.04265	1.1
243.08492	3.2
259.20905	0.6
301.09128	1.4
303.33578	0.5
317.20892	0.6
333.20441	2.4
373.11496	0.6
394.86984	0.5
395.83856	0.5
403.03674	0.5
429.17236	0.6
431.46167	0.6
439.19455	0.9
453.20947	0.6
494.31000	0.6
535.28729	6.5
551.28278	6.3
623.30341	1.3
633.73273	0.6
813.27106	0.6
845.50244	100.0
846.50500	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	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	4.8
67.05514	5.4
69.03436	3.1
69.07078	2.2
71.05017	0.8
71.59536	0.9
73.02916	3.3
74.61912	0.7
79.05496	5.1
81.03442	2.1
81.07066	6.6
81.99480	0.6
83.08624	1.3
85.02910	3.5
86.09745	0.7
91.03989	1.9
91.05496	5.3
93.07057	5.5
95.05034	1.1
95.08619	4.0
97.02885	4.4
97.06553	1.0
97.89790	0.7
99.04480	1.0
100.25392	0.6
101.02419	1.5
105.07048	3.9
107.08630	3.5
109.02917	0.9
117.07024	1.2
119.08618	2.5
121.10213	2.0
127.03867	0.7
129.07088	0.7
131.08626	0.9
133.10196	2.6
135.11729	1.8
145.10143	0.8
147.11728	1.4
156.03331	0.7
157.10208	0.9
159.11792	1.0
161.13274	0.7
163.04036	1.6
184.07445	1.8
203.05386	0.7
243.08490	2.6
301.09167	1.3
315.10956	0.9
333.20599	1.9
402.54535	0.8
434.79175	0.8
439.19537	1.0
453.21286	0.8
535.28809	6.2
551.28418	5.6
623.30743	1.0
795.26434	1.0
813.27600	2.9
845.50195	100.0
846.50513	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	843.198
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12798	0.1
68.99809	0.2
70.06569	0.2
71.58950	0.1
79.32677	0.1
81.03434	0.2
98.35078	0.1
104.76005	0.1
105.07047	0.1
109.02889	0.2
111.00823	0.2
115.05451	0.1
119.04921	0.1
121.02880	0.3
122.06024	0.2
128.10434	0.1
136.07596	0.4
137.02364	1.7
137.03410	0.2
138.68549	0.1
139.05342	0.1
141.06943	0.1
147.04416	0.4
149.02325	0.4
157.06483	0.3
160.05164	0.1
161.05951	0.2
163.03900	0.3
164.07063	0.7
165.01851	0.3
167.04916	0.1
171.04446	0.1
175.03809	0.2
182.08160	0.9
185.05957	0.6
189.05455	0.3
193.05002	0.1
202.65244	0.1
203.07077	0.2
213.05476	1.5
216.04199	0.2
217.04929	0.1
231.06517	0.8
241.04953	0.7
242.05704	0.1
259.06021	0.3
269.04422	0.3
270.04929	0.1
287.05508	100.0
288.05835	2.4
447.15189	0.1
449.10873	0.1
491.11606	0.5
519.33215	0.2
535.10852	10.0
536.11151	0.4
595.14471	5.5
596.14429	0.3
843.19519	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	842.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73965	15.6
69.01202	16.6
69.03416	28.2
71.59923	36.3
81.03412	23.7
85.02908	83.7
87.00854	21.2
97.02882	60.6
105.01894	40.5
109.02882	37.8
127.03934	100.0
128.98218	16.2
145.04890	39.2
159.02898	35.2
231.04973	17.8
286.36166	17.0
444.08664	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	842.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.1
61.02910	1.6
65.03926	4.3
67.05508	100.0
68.05829	1.3
68.45555	1.2
69.03423	5.5
69.07076	19.3
69.24605	10.2
69.25027	2.8
71.04979	5.1
73.02919	1.5
79.05499	60.0
81.03422	4.4
81.07059	76.8
83.04987	3.8
83.08620	14.4
85.02888	2.0
85.06541	3.5
86.09697	3.2
91.05482	37.3
93.07050	57.8
95.05004	6.9
95.08612	50.5
97.06537	7.8
97.10181	8.7
98.20791	3.7
99.08098	1.7
103.05521	1.7
105.06384	2.1
105.07040	28.0
107.04973	4.1
107.08602	38.3
109.06510	5.1
109.10164	49.7
109.10922	2.7
111.08081	4.1
116.83639	1.2
117.07024	13.4
117.69410	1.3
119.08583	23.5
121.06528	3.1
121.10147	23.9
123.08047	2.8
123.11723	7.0
125.09684	6.5
129.07002	5.1
131.08572	17.1
133.09209	2.3
133.10129	19.3
135.08090	3.5
135.11702	14.0
137.09593	3.2
139.11166	1.7
141.06932	1.6
142.07819	1.6
143.08575	4.2
145.10138	14.9
147.11705	12.3
149.09630	5.5
149.13293	9.2
155.10680	2.1
157.10167	4.6
159.11708	8.8
161.13263	6.3
163.03954	2.4
163.11252	4.6
163.14842	2.3
165.12823	1.8
169.10098	2.2
171.11700	3.3
173.11743	9.1
173.13268	8.5
175.11224	1.7
175.14893	1.9
175.61853	1.3
183.11725	1.9
184.07333	7.2
185.13255	3.8
187.14841	3.5
189.11197	3.0
195.11804	1.9
195.13757	2.6
197.13242	1.9
199.14807	1.5
201.16524	1.8
227.12798	10.0
229.14349	41.5
229.16537	2.9
239.17978	2.5
243.21094	4.8
247.20674	1.4
257.18985	3.4
259.20660	1.8
261.22150	13.3
269.17490	12.6
275.20053	21.9
293.21075	3.9
309.20578	1.8
317.24594	1.8
331.22540	1.8
335.25803	82.0
336.26099	2.1
349.23727	16.2
367.24802	13.8
489.35706	22.7
490.35724	1.6
507.36502	4.1
511.37445	2.1
527.37262	2.1
529.38904	28.7
530.38989	1.8
569.41882	11.5
609.36084	1.0
609.45117	24.8
610.44415	1.5
627.46234	17.8
668.82086	1.7
842.45117	1.4
843.48651	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.9
64.74044	2.1
65.03933	5.1
67.05509	91.2
69.03442	12.6
69.07075	32.0
71.05003	8.1
71.08674	2.1
71.09036	5.4
79.05501	84.2
81.03432	13.1
81.07066	95.8
81.73692	2.0
83.04987	13.2
83.08620	20.8
85.02903	4.4
85.06539	5.4
91.05488	100.0
93.07053	85.9
95.04980	12.8
95.08616	57.8
97.02883	5.1
97.06533	12.5
97.10181	6.9
99.08122	4.0
103.03982	2.0
103.05464	3.7
105.04539	4.1
105.07040	87.4
107.04955	10.5
107.08604	51.2
109.02888	2.7
109.06534	9.3
109.10164	26.4
111.08089	7.9
115.05447	4.1
117.07033	39.2
119.08593	66.5
121.06514	5.8
121.10153	29.5
123.08080	7.7
123.11739	6.3
125.09595	6.8
127.03922	4.8
128.06227	6.8
129.07011	22.5
129.68478	2.3
130.07811	3.5
131.08565	46.6
131.09505	3.0
133.06544	3.2
133.09128	2.4
133.10144	49.1
135.08086	6.7
135.11710	25.1
137.09633	4.2
138.59946	1.8
141.07025	4.9
142.07765	2.5
143.08575	22.6
145.10141	39.8
147.08055	2.4
147.11699	32.7
149.09625	13.0
149.13257	16.0
151.11191	4.8
155.08549	11.7
157.10133	23.6
159.08089	2.7
159.11713	29.1
161.09633	5.6
161.13239	16.9
163.11246	8.4
163.14876	2.7
165.12813	2.5
167.08543	4.5
167.27734	2.1
168.09431	2.6
169.10158	13.2
171.08002	2.8
171.11681	16.6
173.04535	2.0
173.09694	2.6
173.13251	16.9
175.11259	2.9
175.14825	9.1
177.12868	5.0
179.08607	3.6
181.10147	8.4
183.11719	8.8
184.07376	5.2
185.13264	14.5
187.11189	2.5
187.14803	6.2
189.11168	2.7
193.10191	3.5
195.11723	7.7
195.13766	5.0
197.13342	6.9
199.11203	2.1
199.14853	11.7
201.16385	2.5
207.11772	3.0
209.13336	4.5
211.14812	4.6
213.16441	6.5
221.13280	4.0
223.14821	4.3
225.16405	4.7
227.12833	3.6
229.19617	4.0
231.21060	2.7
237.16431	5.2
239.18008	5.2
241.19499	13.7
249.16313	2.6
255.15834	13.5
257.19122	6.1
259.20605	40.3
261.22147	5.7
267.15891	3.9
269.17517	16.8
273.18683	3.3
275.20087	19.0
285.21875	2.5
297.22153	2.7
301.21887	2.7
315.23218	6.1
323.23499	2.4
331.22617	2.7
333.24316	38.8
347.22501	2.0
349.23688	10.1
367.24823	6.7
417.31119	3.8
423.32571	3.0
435.32666	6.4
453.33829	3.8
509.35986	2.7
513.35596	22.0
515.37659	5.9
525.35315	2.4
527.37286	37.1
531.36523	4.8
533.39368	2.7
545.38263	7.2
602.42761	2.4
607.43475	28.3
625.44556	23.8
848.20636	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.5
65.03946	3.6
67.05507	96.7
67.48991	2.2
69.03425	5.3
69.07069	37.9
71.04996	6.6
71.08627	3.4
72.97877	1.9
79.05494	86.0
81.03406	8.7
81.07060	100.0
83.04984	9.9
83.08611	19.0
85.02903	5.3
85.06563	5.1
87.04466	4.8
91.03958	2.2
91.05484	87.2
93.07047	92.8
95.04973	11.8
95.08613	53.5
97.02894	6.1
97.06527	15.1
97.10172	5.1
99.08098	6.3
100.79292	2.1
103.05486	3.5
105.04536	2.7
105.07033	94.6
107.04961	7.8
107.08600	51.3
109.06505	11.4
109.10157	22.4
111.08086	4.7
111.62527	2.4
117.07023	34.2
119.08582	74.5
121.06491	3.7
121.10147	29.7
123.08080	5.0
123.11712	7.0
125.09663	3.9
127.03899	2.5
128.06235	6.0
129.07022	23.8
130.07768	2.8
131.08578	46.4
133.06523	3.8
133.10132	53.3
135.08080	4.4
135.11696	23.4
137.09578	4.9
141.07008	2.8
143.08580	19.3
145.10138	37.6
147.11691	35.0
149.09615	7.0
149.13283	13.9
153.07008	2.4
155.08557	9.9
157.10149	19.5
159.11708	26.7
161.09651	4.0
161.13284	16.6
163.11171	6.9
163.14809	4.8
165.41989	2.0
167.08548	2.5
169.10107	9.0
171.11667	21.0
173.04393	2.2
173.09572	2.8
173.13225	14.7
175.11227	2.0
175.14828	8.9
177.12679	4.8
181.10162	6.5
183.11691	10.5
184.07404	4.9
185.13231	14.6
187.11237	3.9
187.14827	4.8
189.11255	2.1
189.12914	2.3
195.11781	6.9
195.13756	4.5
196.35771	2.4
197.13280	5.9
199.14851	7.4
201.16397	2.8
207.11775	3.5
209.13242	5.0
211.14912	3.0
213.16402	4.9
223.14774	4.5
225.16408	3.9
229.37895	2.6
230.44485	2.3
231.17598	2.2
231.21083	2.9
235.14891	2.4
239.18103	3.1
241.19510	18.0
253.14182	2.4
255.16013	7.0
257.18927	4.7
259.20593	47.8
261.22174	2.6
267.15833	3.8
269.17368	20.4
273.18542	3.8
275.20071	16.7
283.20309	3.1
289.21530	2.9
297.22144	2.3
313.21469	2.4
315.23141	6.4
327.97653	2.4
331.22662	2.4
333.24280	41.3
335.25803	7.5
349.23865	10.7
350.23566	2.5
367.24997	4.8
417.31668	3.2
435.32590	8.1
453.33926	4.6
471.34686	3.2
509.36520	3.3
513.35742	14.4
515.37769	4.1
527.30121	3.4
527.37384	49.3
528.37384	2.8
533.39154	2.8
545.38141	5.6
607.43616	16.9
625.44556	21.2
841.46979	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	4.6
61.02900	6.1
65.03950	4.2
67.05177	6.6
67.05510	86.7
69.03447	7.4
69.07074	33.8
71.04967	8.7
71.59932	5.4
78.18199	4.0
79.05077	5.2
79.05502	80.3
81.03405	9.0
81.07063	92.3
83.04977	18.2
83.08607	20.5
85.02904	4.9
86.09693	18.8
91.04964	7.3
91.05486	100.0
93.07053	92.5
95.04977	23.7
95.08611	55.2
97.06512	14.3
97.10172	14.4
105.07039	90.5
106.98400	4.6
107.04944	9.9
107.08600	55.5
109.06561	5.1
109.10134	21.3
115.05444	4.8
117.07029	40.2
119.08584	72.9
121.06516	4.8
121.10148	28.2
123.11720	4.6
124.55651	4.9
125.00018	15.0
125.09596	5.9
127.03854	4.2
128.06239	6.5
129.07051	22.0
131.08563	50.8
133.10153	52.0
135.08063	6.7
135.11707	20.8
141.06970	6.4
142.07767	6.8
143.08583	27.7
145.10139	36.5
147.11673	33.2
149.09592	6.9
149.13232	12.9
155.08525	11.4
155.09705	5.3
157.10175	21.4
159.11754	23.9
161.13252	15.5
163.11154	7.1
167.08551	6.1
169.10130	11.4
171.11681	19.4
173.13210	14.1
175.14786	9.7
177.12807	6.2
181.10135	8.9
183.11682	16.7
184.07358	57.7
185.13246	13.6
195.11703	5.1
197.13181	11.6
199.14781	10.6
201.16367	5.1
209.13329	7.8
211.14897	5.8
213.16411	5.1
241.19501	11.8
255.15793	9.2
257.18954	11.9
259.20636	27.3
273.18533	5.9
275.20096	25.2
315.23102	8.2
333.24316	37.8
349.23734	12.8
367.24713	5.7
513.35516	16.1
527.37256	16.2
607.43719	29.6
625.44849	35.0
665.46112	4.9
856.15057	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65403	2.5
61.02931	5.5
62.06089	3.4
65.03929	6.6
67.05508	100.0
67.77921	3.2
69.03442	12.9
69.07074	49.9
71.05002	16.7
73.02927	4.4
77.03944	2.7
79.05500	95.0
81.03436	22.6
81.07062	83.3
83.04978	11.9
83.08621	12.3
85.02925	10.3
85.06528	3.8
86.09708	3.1
91.05485	64.1
93.07050	74.8
95.04967	17.2
95.08617	62.2
97.02905	8.8
97.06534	73.5
97.10178	5.9
99.08087	5.9
105.07037	49.9
107.04964	10.9
107.08595	43.0
109.02901	6.5
109.06519	24.9
109.10143	22.5
111.08089	6.6
113.06026	3.6
115.05457	3.9
115.07549	21.5
117.07021	22.0
119.08585	28.5
121.06492	5.4
121.10163	28.2
123.08087	8.8
123.11710	5.1
125.09612	4.5
126.58546	2.8
127.03934	6.6
127.07455	2.8
129.07042	11.2
131.08551	25.5
133.06543	5.0
133.10138	22.2
135.08070	10.0
135.11699	14.5
137.09628	4.9
139.11102	2.8
143.08582	9.7
145.06522	3.2
145.10117	17.7
147.08032	8.2
147.11691	10.0
149.09598	4.9
149.13264	10.7
157.10106	9.5
159.11700	13.1
161.09639	5.7
161.13309	4.8
163.14732	2.6
171.11658	4.8
173.13283	8.6
175.11230	4.7
177.12839	3.7
184.07397	5.6
185.13174	4.4
189.12787	3.2
193.12433	2.5
197.13196	2.8
199.14728	4.5
217.15913	7.4
233.15419	4.8
245.18983	3.3
255.17720	5.2
259.20316	2.9
261.22195	11.4
269.17566	8.9
273.18509	23.3
275.20078	3.2
291.19577	14.7
307.18909	3.2
335.25821	85.1
337.27884	3.0
347.22131	11.3
362.47641	3.1
365.23282	9.5
467.54141	2.9
500.89886	3.4
515.36700	3.5
529.38940	22.2
555.41022	3.7
607.43365	8.4
625.44885	17.2
643.45343	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.9
61.02925	5.2
62.40308	2.2
63.94083	2.4
65.03944	7.2
66.73668	2.5
67.05511	100.0
69.03427	10.5
69.07072	33.4
71.04993	5.0
72.08148	2.6
79.05502	86.2
81.03415	13.6
81.07066	83.4
83.04976	10.3
83.08621	20.5
85.02911	7.3
85.06538	5.6
86.37719	2.5
91.05489	91.9
93.07055	84.7
95.04970	16.2
95.08614	62.2
95.90353	2.5
97.02888	7.8
97.06525	12.5
97.10169	8.7
99.08109	6.0
103.05453	4.3
105.04498	3.7
105.07040	77.6
107.04951	7.6
107.07872	2.8
107.08602	49.4
109.06489	5.6
109.10171	30.0
111.04462	2.5
111.08097	7.1
111.11686	2.5
112.44337	2.2
115.05468	3.4
117.07033	37.8
119.08591	62.2
121.06532	2.8
121.10155	35.4
123.08060	6.9
123.11736	6.5
125.09639	7.7
127.03838	5.3
128.06229	5.4
129.05530	4.1
129.07011	26.6
130.07767	3.2
131.08583	43.7
133.06561	2.6
133.10141	50.0
135.08037	5.9
135.11723	22.6
137.09671	2.6
137.86440	2.4
141.07005	7.2
142.07782	5.6
143.08597	26.2
145.10133	41.9
147.08092	4.3
147.11708	33.3
149.09622	8.1
149.13286	13.0
155.08572	15.9
157.10139	23.5
159.11694	34.0
161.09613	3.7
161.13248	15.6
163.11177	5.2
163.14876	3.3
163.77748	2.5
167.08563	6.0
168.09221	2.5
169.10130	18.8
171.11708	21.5
173.13309	17.4
175.11198	3.1
175.14851	7.9
177.12781	5.8
181.10152	9.3
183.11716	17.7
185.09590	3.7
185.13289	18.3
187.14824	7.0
189.11220	3.1
189.12735	2.7
189.16406	3.8
193.10214	3.1
195.11682	6.9
197.13274	10.0
199.14769	11.8
201.12753	3.2
207.11839	2.6
209.13268	10.1
211.14822	8.1
213.16469	6.8
215.18028	3.0
219.11632	2.8
221.13376	2.9
223.14903	5.1
225.16461	5.5
227.12929	5.0
229.14278	5.6
231.21001	3.4
235.14850	5.6
237.16447	3.4
239.17960	2.8
241.19577	13.3
249.16345	2.8
257.18976	8.7
259.20615	29.6
263.17944	3.9
269.17435	12.0
271.06152	3.1
273.18655	4.8
275.20090	9.7
277.21603	4.5
287.20471	3.2
291.19568	4.0
293.21069	15.2
301.21655	2.6
315.23163	7.7
333.14999	6.0
333.24258	23.5
335.25873	14.1
349.24503	2.6
355.26227	3.0
365.23279	3.3
367.25412	2.4
372.91895	2.6
435.32596	4.5
447.32422	2.5
513.35791	4.4
517.40088	2.9
525.35785	3.9
527.37543	15.1
533.40387	3.1
607.43475	5.7
609.45123	42.3
610.44830	4.0
625.44531	20.4
640.80469	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	838.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16257	2.4
63.39555	2.3
65.03946	4.8
67.05178	4.6
67.05515	80.3
69.03436	6.2
69.06759	2.8
69.07073	26.6
69.94937	12.5
71.04997	6.7
71.08590	2.8
79.05063	3.6
79.05502	71.1
81.03393	5.5
81.07069	82.1
83.04981	9.5
83.08621	11.8
85.02923	3.9
85.06538	4.9
87.04463	5.2
91.05491	100.0
93.07058	75.5
93.93631	2.4
95.04976	16.3
95.08618	37.8
97.06504	7.1
97.10162	5.6
98.20787	3.8
100.27286	2.4
103.05465	5.0
105.04568	2.9
105.07047	97.4
107.04964	9.0
107.08607	49.0
109.06547	13.8
109.10172	54.5
111.08080	6.5
117.07027	24.1
119.08597	48.6
121.06518	5.8
121.10170	28.4
123.08073	5.4
123.11716	8.2
125.09623	5.9
128.06201	3.9
129.07024	14.1
131.08574	34.3
133.06601	2.9
133.10146	87.1
135.08101	8.7
135.11679	18.9
137.09637	4.3
139.07494	4.4
142.07756	3.2
143.08603	15.6
145.10124	23.5
147.08031	7.1
147.11710	32.2
148.80443	2.5
149.09612	5.3
149.13237	9.1
151.11180	28.0
155.08582	6.0
157.10123	11.1
159.11700	19.7
161.09659	8.8
161.13275	16.4
169.10172	5.8
169.12245	5.3
171.11655	13.0
173.13278	13.0
175.11209	4.0
175.14876	6.7
181.09995	3.8
183.11719	6.2
184.07317	4.5
185.13304	7.4
187.14778	7.2
199.14806	7.6
209.13336	3.3
211.14949	3.4
229.14388	3.5
231.21133	3.6
238.13600	3.0
239.17905	3.7
241.19615	22.1
243.22775	2.9
245.19066	3.1
253.14383	66.5
257.19037	6.1
259.20618	40.7
263.20169	3.5
264.66055	2.7
273.18689	13.5
289.17938	4.6
291.19608	20.0
315.23230	8.9
333.24323	40.8
335.25952	5.0
347.21893	3.7
351.25443	4.6
365.23251	27.4
437.30283	5.6
455.31778	3.2
479.37344	3.1
496.66760	2.8
511.34100	11.2
529.35364	13.8
531.37933	5.5
605.41528	7.5
623.43109	31.6
624.43298	3.3
641.43805	8.6
767.02222	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	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	2.3
65.03932	5.4
67.05508	67.7
69.03429	14.4
69.07071	41.1
69.95056	10.4
71.04998	4.3
79.05492	66.4
81.03433	9.1
81.07058	58.6
83.04986	8.1
83.08621	18.3
83.36678	2.4
85.06541	3.1
87.04489	3.9
91.05482	73.2
93.07048	70.6
95.04980	16.0
95.08617	40.6
97.02905	8.5
97.06532	6.3
97.10181	22.8
97.32861	2.0
98.20856	4.9
105.07037	68.7
107.04957	12.8
107.08595	41.4
109.06542	6.5
109.10168	25.5
111.04419	2.4
111.08100	6.1
112.40812	2.3
115.05441	5.5
117.07021	27.1
119.05006	2.4
119.08584	54.5
120.86322	2.6
121.06538	6.3
121.10143	18.1
123.08080	5.0
123.11738	5.3
125.09628	16.3
128.06229	6.5
129.07010	18.3
131.08568	31.1
133.06503	3.5
133.10135	39.7
135.08089	7.9
135.11702	9.4
137.09631	2.8
141.07004	4.6
142.07721	3.4
143.08574	16.5
145.10127	26.7
147.08078	8.0
147.11690	31.6
149.09621	5.5
149.13280	7.3
151.11165	2.5
155.08586	7.0
157.10071	12.4
159.11674	20.1
161.09570	5.1
161.13249	18.6
163.11171	5.3
169.10168	6.9
171.11711	14.3
173.13289	9.8
175.11224	4.8
175.14836	9.6
181.10155	2.9
183.11707	8.8
184.07280	3.1
185.13246	13.9
187.13246	2.7
187.14851	4.9
189.11238	9.8
193.12244	3.1
197.13330	6.6
199.14897	5.0
201.16328	3.0
205.12239	2.4
211.14955	2.2
213.16457	5.1
223.13213	19.5
227.12712	14.1
227.18094	2.5
231.17590	2.5
239.17955	4.6
241.19527	18.9
249.14818	4.1
257.19193	2.4
259.20609	44.8
273.18607	9.8
275.20178	5.3
277.21692	2.8
289.18018	4.6
291.19537	100.0
292.19766	3.5
295.20587	2.3
296.41116	2.5
315.23215	8.8
325.21317	2.8
333.24228	54.1
335.25854	9.2
365.23318	37.1
379.30066	4.4
381.22800	7.3
388.40778	3.0
525.35736	10.8
529.35028	3.8
543.36603	7.1
549.39526	3.2
589.23053	2.3
605.41296	5.3
623.43036	49.1
641.43866	15.6
838.53009	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91107	1.9
65.03947	3.9
67.05504	60.0
69.03432	5.7
69.07069	36.9
69.07397	2.4
71.05027	5.3
71.08640	2.6
71.59402	1.9
77.10297	1.9
79.05497	49.0
81.03414	11.5
81.07063	75.4
83.05014	9.8
83.08625	11.4
85.06559	4.1
87.04465	13.0
88.01891	1.9
89.88815	2.2
91.05483	73.1
93.07050	52.8
95.01307	10.3
95.04998	9.4
95.08618	32.8
97.02930	2.9
97.06540	32.6
97.10194	6.7
105.07036	79.9
107.04964	23.8
107.08600	28.2
109.06528	7.8
109.10167	11.9
111.08118	5.3
115.05492	3.6
117.07027	18.9
119.06218	2.6
119.08590	48.9
121.06511	7.8
121.10155	15.2
123.08057	2.8
123.11756	2.8
125.09738	3.8
129.07001	5.5
131.08582	28.1
133.10141	46.5
133.11073	3.1
135.08109	2.9
135.11661	10.3
137.09583	2.5
141.07088	2.9
143.08624	5.6
145.06511	2.7
145.10121	21.5
146.97931	2.1
147.11717	18.2
149.09627	13.8
149.13266	10.3
151.11255	4.7
155.08571	2.6
157.10173	7.2
159.08072	3.4
159.11688	13.5
161.13266	6.4
163.11221	9.5
165.09125	4.2
169.10161	5.3
171.11717	5.0
173.09561	2.3
173.13336	6.1
177.12730	5.2
179.14345	14.7
183.11716	3.6
184.07370	4.7
195.13783	2.8
197.13303	4.4
211.14769	2.1
219.17497	3.1
227.12920	4.4
239.17989	3.5
247.20551	3.9
251.16499	3.1
255.16014	6.7
257.19095	11.1
269.17487	18.7
275.20087	100.0
293.21170	5.8
321.08362	2.7
331.22580	4.2
334.54114	2.4
349.23773	59.7
350.23938	2.6
367.24954	5.5
413.21527	2.4
414.95648	2.5
423.04254	2.4
476.18051	2.3
529.35236	21.2
543.36841	80.5
544.37061	4.9
623.43073	35.8
641.43878	7.4
687.41479	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	837.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51526	1.7
61.02935	3.5
65.03948	2.1
67.05503	10.3
69.03438	15.7
69.07081	11.1
71.04974	2.9
73.02930	2.1
79.05486	14.0
81.03415	12.5
81.07058	20.6
83.04980	5.6
83.08613	8.6
85.02914	40.9
87.00832	25.4
89.03920	1.8
91.05465	19.3
93.07038	29.3
95.04949	2.4
95.08611	30.3
97.02906	10.5
97.06532	4.0
98.21503	3.4
99.04447	4.3
105.01860	17.7
105.07036	38.2
106.15833	2.2
107.04944	2.7
107.08601	42.6
108.08906	1.6
109.02892	13.6
109.06532	2.9
109.10145	18.6
111.08086	1.9
112.55335	1.7
115.05465	2.6
115.07585	5.5
117.07005	11.4
119.04879	2.2
119.07787	3.6
119.08591	53.0
121.06522	5.6
121.10144	38.7
123.08113	3.6
123.11695	5.0
127.03916	24.4
128.06223	2.1
129.06989	5.5
130.07802	2.7
131.08586	23.9
133.06483	1.6
133.10147	54.5
135.04420	2.8
135.08038	7.4
135.11687	20.4
142.07748	5.2
143.08582	14.4
144.09326	4.4
145.04962	5.2
145.06305	2.0
145.10129	48.8
145.11281	2.8
147.04416	3.2
147.08087	2.8
147.11693	29.0
149.06015	3.6
149.09607	5.2
149.13245	7.1
151.07524	4.3
151.11191	2.3
153.06958	2.4
153.09073	1.9
155.08548	9.2
156.09315	5.7
157.10124	32.1
158.10902	2.7
159.02869	2.4
159.08040	3.0
159.11708	41.4
160.12167	1.8
161.09589	4.4
161.13268	16.3
163.03915	8.3
163.11179	37.0
163.14857	6.2
167.08580	2.7
168.09335	3.5
169.10106	11.2
170.10837	3.4
171.11696	21.8
173.09624	2.3
173.13261	29.1
175.11205	6.5
175.14822	22.8
177.12822	9.7
177.16386	26.0
179.08894	1.7
179.10576	9.8
179.61249	2.0
181.10144	4.0
182.10963	7.1
183.11714	21.6
184.12337	2.4
185.13255	24.2
186.13898	2.2
187.11185	4.0
187.14841	34.3
189.12729	4.5
189.16393	45.3
191.14371	4.2
191.16228	1.8
191.17856	10.1
193.12093	2.1
195.02621	1.8
195.11649	2.8
197.13264	39.4
198.13580	2.3
199.11157	4.2
199.14828	31.2
200.30453	2.0
201.07538	3.3
201.12778	11.8
201.16388	14.9
203.14346	5.8
203.17943	3.7
205.15883	100.0
207.11751	2.2
207.17413	5.5
209.13266	4.1
211.14833	5.4
211.23874	2.0
213.03978	5.2
213.12689	2.1
213.16402	9.9
215.14340	17.0
215.17918	6.7
217.12297	2.5
217.15897	5.5
219.13818	6.2
219.17476	5.8
221.13382	2.1
221.15327	2.6
223.14801	4.7
223.16884	3.5
225.12764	2.5
225.16316	4.1
227.17950	3.4
229.15906	4.1
231.05009	5.0
231.13771	3.0
231.17413	2.7
237.16382	2.2
239.17960	3.4
241.19574	2.0
243.13837	11.2
245.15417	2.3
245.19104	2.4
251.17923	6.6
253.19597	3.6
255.21115	2.2
261.14850	6.2
265.19415	2.6
281.19131	2.5
281.22430	4.0
283.20557	17.8
291.21304	2.5
297.18536	5.3
297.22018	3.0
299.23724	4.2
317.24826	3.4
319.15421	8.9
339.14456	6.9
347.15048	4.5
365.15964	5.6
385.28928	8.7
403.29968	30.3
404.30032	2.4
405.31470	5.2
421.31079	20.1
431.29340	18.9
439.31866	3.1
449.30450	37.3
460.27667	2.2
467.31653	27.7
507.31018	6.4
525.32184	13.9
535.30408	11.6
553.23901	3.2
553.31689	33.2
571.32721	26.0
589.33459	2.3
824.76294	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	836.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	1.1
61.02919	1.3
62.06090	0.8
67.05516	3.5
68.99780	0.7
69.03438	9.4
69.07082	6.5
69.29447	0.6
70.06587	1.8
71.04994	1.2
71.08631	6.2
71.59081	1.0
72.08158	3.0
73.02916	1.2
79.05479	1.4
79.63148	0.5
81.03422	7.9
81.07063	7.3
83.04950	1.1
83.08616	5.3
84.04540	0.6
84.08128	1.7
85.02908	12.2
86.06072	18.8
87.00845	4.2
91.05465	1.2
93.07053	3.3
95.04965	1.1
95.08608	2.3
96.08157	2.9
97.02901	7.8
97.06514	1.9
97.10182	1.8
98.06056	1.8
98.09698	10.2
99.04482	3.4
99.08087	3.4
104.36765	0.6
105.01888	3.8
105.07018	0.7
107.08614	2.8
108.08129	3.7
109.02884	8.4
109.06549	0.7
109.10144	1.5
110.09693	1.1
111.08073	1.8
114.09162	1.0
115.94379	0.6
116.10737	59.0
121.08912	0.6
121.10136	0.8
122.09647	2.9
123.08051	0.6
124.07579	1.4
125.09589	0.8
126.09137	0.7
127.03929	10.2
129.01851	1.3
131.05003	0.6
131.08551	0.8
133.10133	0.7
134.09671	0.7
135.04407	1.4
135.10410	0.7
135.11626	0.8
138.09039	0.6
140.10678	1.6
142.12294	1.7
143.10699	4.0
145.02882	0.9
145.04953	2.0
145.10147	0.6
147.04330	0.6
149.13298	3.9
154.15933	1.7
159.02896	1.3
159.11751	0.8
163.03928	5.8
163.11195	0.8
164.04247	0.6
166.15907	1.3
167.14304	1.2
196.17003	4.3
213.03932	0.7
214.18033	45.4
215.18437	0.9
231.05045	1.7
231.15820	1.3
238.17976	1.3
239.16422	1.6
243.12239	0.8
256.19116	0.8
257.17438	5.0
262.21692	0.8
264.19461	0.7
264.23312	1.2
274.21411	0.6
280.22739	1.2
292.22568	2.9
310.20270	1.3
310.23779	20.0
328.24832	100.0
329.24976	3.1
395.39648	0.6
408.30887	4.3
426.32166	27.5
427.31973	0.8
462.23517	4.4
477.28488	1.1
493.59448	0.7
508.87201	0.6
532.30829	1.8
558.28210	1.2
576.30164	17.7
577.30591	0.9
588.37531	1.0
602.94940	0.7
674.37518	7.4
709.54321	0.7
738.35284	4.9
810.84485	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	836.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01572	0.5
60.22676	0.5
61.02914	1.4
62.06093	0.8
67.05517	2.4
68.99777	0.6
69.03436	7.8
69.07074	3.7
69.42262	0.4
70.06590	1.0
70.14328	2.0
71.04976	0.8
71.08640	3.6
72.08171	3.2
73.02924	1.1
75.48701	0.5
79.05486	1.7
81.03423	6.8
81.05824	0.6
81.07055	4.6
83.04955	0.6
83.08629	5.0
84.08147	1.0
85.02914	9.7
86.06075	19.2
87.00842	2.9
93.07038	2.3
94.06575	0.6
95.04982	1.0
95.08620	3.3
96.08160	2.4
97.02901	5.0
97.06530	2.1
97.10131	0.8
98.06071	1.1
98.09095	0.7
98.09700	7.9
99.04433	2.2
99.08109	3.0
103.03945	0.6
105.01904	2.2
105.07037	0.9
107.08572	2.5
108.08154	2.4
109.02892	6.8
109.10148	2.2
110.09715	0.6
111.08094	1.5
114.09213	0.6
116.10742	46.8
118.53299	0.6
121.10146	1.5
122.09709	2.2
124.07615	1.1
127.03926	9.4
129.01855	0.8
135.11699	0.6
136.11209	0.6
138.09163	0.9
140.10715	0.9
142.12285	1.4
143.10695	2.9
145.04919	2.4
149.13303	3.6
159.02901	1.6
163.03923	1.9
167.14288	0.9
177.70262	0.5
178.15866	0.5
180.04369	0.4
186.31526	0.5
187.05978	0.5
188.99023	0.4
196.16966	1.0
214.18031	11.0
231.05063	1.3
231.15984	0.9
238.17958	1.1
239.16537	2.5
243.12328	0.9
246.22231	0.6
256.19174	0.6
257.17471	4.9
262.21710	0.5
268.22900	0.7
274.21701	0.8
280.22781	1.0
292.22781	3.2
310.23773	18.5
328.24847	100.0
329.25250	2.4
368.33487	0.5
408.30942	3.8
426.32208	22.3
427.32291	1.1
462.23120	1.1
473.98462	0.5
490.30301	0.6
532.31110	1.4
533.30933	0.5
558.29083	1.2
576.30176	17.7
577.29779	0.7
630.37708	0.7
674.37463	6.9
738.35382	4.6
818.40930	0.8
836.42102	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	834.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	2.2
67.05495	3.2
68.13563	0.6
68.99778	1.7
69.03088	0.6
69.03434	10.2
69.07066	6.9
69.56636	3.7
70.06574	1.4
71.01349	0.8
71.04980	1.7
72.08133	1.0
73.02898	2.3
73.78452	0.6
79.05466	2.6
81.03429	8.7
81.07060	5.0
82.06585	0.6
83.04958	1.0
83.08635	3.3
84.08128	1.5
84.45224	0.5
85.02913	20.9
85.06499	1.0
86.05583	1.0
86.06073	15.0
87.00828	5.5
87.04443	1.3
89.03922	1.0
91.05434	1.1
93.07057	4.0
95.08594	3.4
96.08139	9.6
97.02890	11.0
97.06523	2.2
97.10171	0.7
98.06057	2.8
98.09688	2.3
99.04454	4.5
105.01874	4.0
105.06993	1.1
107.08609	3.6
108.08130	3.1
109.02883	8.6
109.06523	1.5
109.10153	1.3
110.09702	3.6
111.04413	0.8
111.07992	0.6
112.07558	1.2
114.09054	0.7
116.10726	7.2
116.23857	0.6
117.03393	0.9
121.02886	0.7
121.08881	0.7
121.10146	1.5
122.09683	1.1
123.08076	0.6
123.11729	0.9
124.07590	3.4
124.11211	1.7
126.09163	1.2
127.03925	13.4
129.01817	1.7
131.04932	1.4
131.08600	0.7
134.09627	0.9
135.04442	1.3
135.11667	0.9
136.11177	1.9
138.09145	1.2
139.03889	1.0
141.09094	0.7
142.07573	1.1
142.08646	16.9
145.02855	1.3
145.04964	2.8
147.02913	1.0
147.04335	0.9
147.40552	0.7
149.13246	2.6
151.11212	3.5
152.10725	1.1
154.12244	2.3
159.02888	2.7
159.11670	1.0
163.03922	7.7
164.04279	1.0
164.14369	0.9
166.15947	9.2
169.12282	4.2
177.05524	0.6
181.04976	0.7
187.05969	0.9
194.15395	3.1
210.18575	1.6
212.16466	100.0
213.03920	0.6
213.16772	2.0
231.05040	2.3
238.18034	35.2
239.18597	0.8
249.05902	0.8
256.19098	94.4
257.17218	4.1
257.19583	1.7
310.23621	1.0
328.24722	0.7
345.24057	1.2
363.25443	2.8
364.24667	0.7
374.21542	3.4
394.81009	0.6
406.29556	4.4
424.30585	74.5
425.30804	2.6
460.21698	1.2
504.24252	1.8
622.27051	2.6
628.36829	1.1
666.29657	2.7
672.35840	5.7
790.42120	4.2
816.39899	0.7
834.41296	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	832.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	100.0
59.06116	3.5
60.04524	1.5
61.02920	4.2
65.03933	1.8
67.05506	23.6
67.52061	0.9
69.03440	2.0
69.07084	5.5
70.06602	3.4
70.98917	2.4
71.05004	1.3
72.08154	1.1
73.02889	1.1
79.05499	21.7
80.05039	2.2
81.07064	18.8
82.06590	4.5
83.04984	1.6
83.08633	2.7
84.04514	3.0
84.08131	6.2
85.02911	4.7
85.06593	1.1
91.03943	2.1
91.05477	14.7
93.07056	18.7
94.06576	10.9
95.04977	3.3
95.08622	16.7
96.08131	4.0
97.02898	2.3
97.06556	1.1
97.10178	1.3
105.07034	11.0
106.06557	1.7
107.08605	12.0
108.08105	2.9
109.06555	1.6
109.10143	4.9
110.09708	2.3
112.07610	2.5
117.07027	4.6
119.08552	6.2
120.08114	2.9
121.10157	6.8
122.09703	1.8
123.08063	1.2
124.11246	4.0
129.07001	1.7
131.08563	5.6
133.10115	4.2
134.09666	1.9
135.11732	2.8
143.08594	2.0
145.10143	4.3
147.11699	2.4
147.96724	1.2
149.13217	1.5
149.75838	1.2
152.10701	1.5
159.11699	2.7
162.12854	1.4
164.14352	3.3
220.17064	1.3
300.23154	1.6
301.21671	1.4
318.24344	2.9
335.25851	8.4
336.25653	1.4
392.27942	4.1
410.28607	1.1
522.64746	1.3
532.39728	2.3
572.43079	1.6
635.46661	1.3
652.49194	6.5
670.50446	89.6
671.50989	4.9
687.53149	1.0
814.54004	1.5
832.55792	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	831.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.4
69.55149	1.4
69.55561	0.8
70.95847	1.2
71.92990	0.4
72.93774	3.4
81.03427	2.1
90.94829	2.0
93.07052	0.3
95.04938	0.4
95.39232	0.3
95.92126	0.3
98.20772	0.6
108.95852	0.4
109.10153	0.3
126.98418	0.7
127.11228	0.3
128.96342	0.7
132.95821	0.3
135.62761	0.3
138.98418	0.3
142.97902	0.9
144.95824	0.4
144.99472	0.5
150.97009	0.3
152.96338	0.3
154.97903	37.4
155.98274	0.4
160.99001	0.3
162.96863	0.4
163.03949	0.4
165.00040	0.5
166.97920	1.2
168.95868	0.3
168.99451	0.8
171.01012	0.5
172.98978	33.7
173.99298	0.3
178.97873	0.4
180.99489	1.9
181.03160	0.5
182.97423	1.4
183.01093	0.6
184.98970	3.4
187.00522	1.3
192.99562	0.6
194.97404	0.4
195.01036	0.7
196.00551	1.3
196.97267	0.6
196.98975	8.5
197.00797	0.6
199.00551	0.7
199.97701	0.8
200.98460	0.7
202.99861	0.5
203.01588	0.8
204.99568	0.4
207.01045	0.5
208.99004	0.8
209.02620	5.8
211.00533	5.2
212.98584	0.4
213.02095	0.9
215.00006	11.6
219.01035	2.8
220.00623	0.4
220.02780	0.3
220.99179	0.4
221.02602	7.0
221.99850	0.3
223.00572	2.1
223.04176	0.5
226.99980	1.0
227.03664	1.1
229.01645	0.5
230.99478	0.8
233.01056	8.3
234.01384	0.3
235.00496	0.4
235.04350	0.3
237.02130	0.5
238.01720	0.4
238.99979	0.4
239.03651	7.5
239.06064	0.4
241.01585	1.1
251.03648	2.3
252.04419	0.4
253.01706	0.9
256.00253	0.4
257.00656	0.4
263.03662	3.6
267.03159	0.4
269.04703	3.4
271.02594	0.9
281.04703	20.2
283.02689	0.8
287.05768	0.6
297.04184	0.4
299.05768	34.2
300.05939	0.7
322.07382	1.9
323.05893	1.6
341.06808	1.2
353.06693	0.8
377.06940	0.3
383.07913	0.7
425.09045	0.3
427.12909	0.5
442.09711	2.5
443.09995	100.0
444.10217	2.7
484.12750	1.4
664.56995	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	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.7
67.05509	4.9
69.03426	2.9
69.07067	1.1
69.08779	0.4
69.34880	1.3
69.35283	3.3
70.27116	0.5
71.01362	0.6
73.02909	3.0
79.05492	4.6
81.03448	1.3
81.07066	3.9
85.02915	4.7
86.09711	0.4
87.04527	0.7
91.03986	2.2
91.05479	5.4
93.07051	5.9
95.05000	1.2
95.08628	2.9
97.02901	2.8
99.04462	0.6
101.02403	1.6
105.07042	4.2
107.08604	2.6
109.02886	0.7
109.10209	0.8
117.07063	1.2
119.08585	2.9
121.10175	2.0
127.03968	1.4
129.05515	0.5
129.07042	0.8
131.08597	1.5
133.10156	2.4
135.11711	1.1
140.62311	0.4
145.10132	1.2
147.11729	1.7
149.13229	0.5
159.11720	1.0
161.13310	0.5
171.11754	0.7
184.07407	1.8
185.04234	1.5
185.11832	0.5
191.75674	0.5
203.05380	0.6
227.20195	1.0
243.08485	3.7
301.09045	1.4
313.09357	0.7
315.10721	1.5
317.20941	0.7
341.12695	0.6
397.18338	0.6
465.20990	1.2
484.37750	0.5
495.22205	0.8
525.23187	1.3
535.28833	12.4
607.30835	1.3
759.43225	0.8
829.50757	100.0
830.51074	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	829.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.4
70.06598	0.7
71.59624	0.6
76.73280	0.4
79.05491	0.7
89.03915	1.9
91.05484	0.6
93.07083	0.8
94.06553	0.9
108.08120	1.5
114.16124	0.4
116.04998	7.3
120.04542	0.6
120.08111	2.6
122.06043	15.6
132.04408	0.5
134.06065	0.7
136.07591	15.8
144.04474	12.2
146.06038	0.9
148.07596	4.9
150.67435	0.5
152.06967	0.8
160.07530	0.4
162.05501	5.1
164.07054	0.5
166.08632	0.6
172.03951	58.5
173.04335	1.0
174.05496	0.9
182.09804	0.5
184.07336	0.5
190.05013	5.4
199.08704	0.8
204.06583	100.0
205.06932	1.8
213.10229	1.1
221.10814	0.6
223.08763	0.6
223.12259	1.1
227.08255	1.0
227.11757	0.8
234.09282	0.5
236.09482	0.7
241.09711	1.4
242.10507	4.4
249.10234	0.6
250.11092	0.6
251.11794	2.5
252.08800	0.6
255.11258	4.0
256.12198	2.1
264.08990	1.2
267.47739	0.5
278.10703	0.5
279.11295	3.5
284.11624	2.9
301.11914	2.6
302.12701	4.0
307.10770	4.6
311.13922	1.8
325.11789	1.7
339.13425	28.4
340.13681	1.1
357.14285	0.5
411.11914	18.9
412.12448	0.9
429.12930	2.4
443.14526	9.2
444.14551	0.6
564.76709	0.5
829.41254	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	826.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40032	1.8
61.02922	3.9
65.03949	5.6
67.05511	100.0
69.03424	7.0
69.07073	37.0
69.59379	13.0
71.04994	5.2
71.08642	3.7
73.02919	2.0
75.42197	2.2
79.05500	61.7
81.03426	6.4
81.07062	94.7
83.04981	9.1
83.05424	2.1
83.08630	21.8
85.02906	7.2
85.06549	5.7
91.05488	51.9
93.07053	69.9
95.04977	13.0
95.08615	67.4
97.02899	7.6
97.06537	10.6
97.10183	12.6
98.20767	1.9
99.08102	7.4
103.03976	1.9
103.05482	4.1
105.07039	53.0
107.04955	2.3
107.08599	37.2
109.06523	5.0
109.10169	28.4
111.08086	6.5
115.05501	3.4
117.07038	23.0
119.08589	47.3
121.06498	3.0
121.10153	23.7
123.08071	3.8
123.11670	9.6
125.09637	5.5
127.03888	2.1
128.06242	3.6
129.05452	1.9
129.07001	14.4
131.08571	27.2
133.10146	25.7
135.08040	4.8
135.11697	15.7
137.09630	3.3
137.13266	4.2
139.11107	2.1
141.07010	4.1
143.08578	13.6
145.10138	28.6
147.11719	19.7
149.09608	5.6
149.13281	7.3
151.11264	2.1
155.08575	4.0
157.10168	13.7
159.11697	26.8
161.13271	11.6
163.11179	4.6
163.14841	4.7
168.77524	2.3
169.10167	6.2
171.11696	7.2
173.09718	2.4
173.11952	2.2
173.13251	9.6
175.11217	3.0
175.14868	4.9
177.12726	3.1
183.11694	7.4
183.38429	1.9
184.07343	7.9
185.13278	17.3
187.14798	4.7
189.11258	3.1
191.14273	2.3
195.13820	2.7
197.13300	3.6
199.14793	3.3
201.12704	3.6
201.16461	4.7
203.14328	4.8
219.17455	6.4
227.12791	8.9
229.14401	9.1
229.19536	5.5
239.17979	8.0
239.48207	2.2
240.95424	2.0
255.16022	2.8
257.19006	24.4
261.22369	3.4
263.23578	2.6
267.15881	2.1
269.17456	11.2
275.20074	34.0
277.21481	2.5
293.21222	4.4
331.22769	8.5
335.25830	21.7
337.27386	83.9
338.27747	2.7
349.23758	32.5
351.25354	5.4
373.18832	2.4
489.35822	5.4
491.37091	4.2
517.38934	2.9
529.39240	15.4
531.40314	6.5
537.42932	2.8
571.43463	2.6
593.46063	2.3
611.46826	51.9
629.47186	5.2
827.48907	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	826.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50982	2.0
61.02943	2.1
65.03933	6.3
66.80646	2.5
67.05508	94.4
69.03419	7.2
69.07070	35.5
69.32680	12.6
69.33103	10.1
71.04980	3.2
79.05071	3.5
79.05502	47.6
79.80212	2.4
81.03424	11.3
81.07066	100.0
83.04962	8.2
83.08624	15.9
85.02898	5.5
85.06551	7.2
91.03969	3.6
91.05487	44.0
93.07055	46.9
95.04969	7.7
95.08617	61.1
97.02910	5.4
97.06531	7.1
97.10143	8.7
99.04469	2.9
99.08083	4.0
105.07041	30.8
107.04955	4.6
107.08602	26.4
109.06501	6.7
109.10155	21.3
111.08064	5.7
117.07037	13.8
119.08603	28.8
121.06501	4.3
121.10157	19.6
123.08091	3.8
123.11694	9.2
125.09666	3.7
129.07013	4.7
131.08578	15.7
133.10130	23.4
135.11714	15.2
136.52078	2.5
137.09621	2.9
137.13258	4.9
143.08572	5.0
145.10127	14.6
147.11667	10.4
149.09625	10.3
149.13231	6.8
157.10114	6.3
159.11668	13.7
161.13254	4.9
163.11131	3.9
163.14793	2.8
165.12831	2.8
169.10219	3.5
171.11722	3.7
173.13293	4.6
175.14775	3.0
177.12733	4.0
179.14380	3.6
184.07343	8.6
185.13222	3.3
195.13815	3.0
199.14835	3.8
203.14351	2.6
217.15836	3.8
229.14265	4.5
239.18002	2.5
245.22588	2.6
255.15933	8.4
257.18954	6.8
263.23679	4.8
269.17535	23.7
273.18433	2.6
275.20084	20.9
293.20944	3.0
296.00906	2.7
309.20709	4.6
331.22400	3.1
335.25797	3.8
337.27426	73.9
338.27649	4.0
349.23801	18.1
489.92365	2.7
491.37311	4.2
517.39215	11.4
531.40515	51.3
532.40613	3.6
571.44104	12.4
581.80042	2.3
594.05914	2.5
611.46735	19.4
629.47565	7.5
827.48639	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	826.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35006	0.7
59.04992	2.5
61.02649	0.7
61.02930	9.4
64.62010	0.5
65.03948	0.9
67.05509	60.0
69.03425	1.6
69.07076	6.2
71.04987	2.8
71.08640	15.8
71.23656	0.6
71.59425	1.0
73.02919	3.2
79.05479	2.4
81.03421	1.3
81.07064	15.1
83.04966	0.7
83.08621	8.5
85.02908	10.0
85.06549	2.9
85.10178	8.0
86.09695	2.5
87.04465	0.7
91.03960	8.3
91.05489	4.0
93.07036	2.7
95.08052	1.0
95.08618	14.3
95.21919	0.6
97.02903	6.8
97.10168	2.5
99.11723	1.0
103.07536	0.9
105.06989	0.9
107.08600	1.2
109.10162	61.1
111.08090	2.1
111.11703	0.8
112.23589	0.6
117.07052	0.9
119.08586	4.4
121.10216	0.7
123.11716	2.8
125.00018	0.8
127.03922	2.7
137.09634	2.3
137.13228	0.7
145.04956	3.3
148.95227	0.7
155.10655	3.2
163.06010	4.3
173.11757	16.6
174.12328	0.6
184.07353	5.5
229.14369	100.0
230.14682	1.7
239.23715	1.2
257.24710	1.1
313.27377	70.9
314.27905	1.1
467.37369	66.1
468.37637	2.7
611.46472	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	826.4949
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02924	6.8
65.03955	1.0
67.05511	13.6
68.05028	0.9
69.03434	8.0
69.07081	4.0
69.87215	2.4
69.87620	2.2
70.06596	8.1
71.04998	100.0
71.07357	0.8
71.86085	0.8
72.34669	0.8
73.02921	4.0
73.82184	0.8
79.05500	13.7
81.03424	3.5
81.07059	12.2
82.06575	1.1
83.04993	1.2
83.08615	3.8
83.09057	0.9
84.08156	4.9
85.02909	4.9
86.06078	5.4
86.09706	1.7
88.04001	5.5
91.03979	2.3
91.05488	8.3
93.07043	12.4
94.06587	1.1
95.05001	2.6
95.08628	6.9
96.04473	1.2
96.08136	9.9
97.02885	4.3
97.10181	5.1
98.06062	4.7
101.02405	1.6
101.78726	1.0
105.07057	3.7
106.06586	2.2
107.04928	1.1
107.08595	6.0
109.02907	1.3
109.06557	1.4
109.10178	3.5
111.08109	2.4
112.07614	7.5
114.05557	1.1
114.09205	0.8
117.07052	3.3
119.08619	2.3
121.10181	3.1
123.08146	1.0
124.07600	4.7
125.09668	3.7
127.03933	1.2
131.08536	1.9
133.10091	1.0
135.08063	2.7
135.11670	1.7
141.07857	1.4
142.08672	7.7
145.10164	1.5
153.09123	2.5
158.08156	11.9
163.11171	1.1
163.60341	0.9
170.08167	3.4
184.07317	5.0
189.11295	2.1
227.12849	3.1
261.22217	1.2
299.36682	0.9
335.25848	6.8
433.21469	1.0
463.53540	1.1
557.57965	1.0
646.43964	1.2
664.44293	2.4
793.49371	0.9
813.64441	1.1
826.49493	93.0
827.49664	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	4.1
65.25340	2.4
67.05179	3.0
67.05510	50.4
69.03437	3.1
69.07072	19.6
69.91068	11.4
77.03895	2.4
79.05501	60.3
81.07063	59.8
83.04974	3.5
83.08619	3.8
84.08112	3.1
91.05482	52.7
93.07051	47.1
95.04994	6.2
95.08612	41.0
97.02860	3.2
97.10155	6.3
98.20752	3.6
103.05459	4.5
105.06384	4.0
105.07042	53.2
107.08604	25.2
109.10165	17.7
110.09668	3.7
117.07024	29.2
118.75079	2.9
119.08588	41.3
121.10147	20.7
123.11737	6.6
128.06256	5.5
129.07022	15.0
131.08589	32.4
133.10158	30.7
135.11708	12.0
141.06982	8.3
142.07697	3.5
143.08563	21.9
145.10112	32.9
147.11685	17.3
149.13240	9.0
153.06996	2.9
155.08597	14.2
157.10135	21.3
159.11707	17.0
161.13284	8.5
167.08604	5.2
168.10294	3.0
169.10161	17.3
171.11664	20.7
173.13290	13.6
175.14755	3.6
181.10127	7.3
183.11714	12.0
184.07367	8.6
185.13316	12.1
187.14844	8.2
195.11746	7.9
197.13242	11.9
199.14822	6.2
207.11769	2.9
209.13303	7.9
211.14810	9.2
213.16429	4.3
221.13295	3.5
223.14885	5.6
225.16429	5.2
239.17929	4.4
245.18874	2.5
253.19489	3.0
255.17387	3.2
257.19034	7.8
259.20566	7.7
263.17978	3.7
279.21039	3.0
290.50598	2.7
331.22815	2.6
333.24274	7.2
335.25922	4.1
344.23123	2.9
351.26855	3.3
400.02368	2.6
473.32587	4.3
484.75882	2.6
490.67233	2.9
498.15027	3.0
501.35590	4.3
517.40460	9.1
535.41223	5.2
539.37732	3.2
591.43994	11.2
609.45172	100.0
610.45099	7.3
651.03265	2.7
771.48761	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	824.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.9
61.48830	1.4
65.03938	4.8
67.05511	91.9
69.03448	8.4
69.06721	1.8
69.07077	27.6
69.37007	12.3
71.01366	1.7
71.04993	4.0
71.08633	1.6
79.05502	70.7
81.03430	9.2
81.07063	98.1
83.05001	11.2
83.08630	15.3
85.02910	5.7
85.06544	5.2
86.09666	1.5
91.03974	1.4
91.05489	56.5
93.07051	79.0
95.04986	11.0
95.08617	61.8
97.02877	4.1
97.06539	11.9
97.10149	4.3
99.08075	1.5
103.05475	2.0
105.07042	44.0
107.04951	5.5
107.08605	41.3
109.06557	7.5
109.10171	22.1
111.04473	1.6
111.08090	5.7
115.05500	2.7
117.07021	21.5
119.07791	2.3
119.08595	30.8
121.06500	3.4
121.10158	30.6
123.08109	3.8
123.11724	6.8
125.09647	1.6
127.03941	3.6
129.05513	2.2
129.07033	7.7
130.07704	1.5
131.08580	27.5
133.10143	24.3
135.08072	3.5
135.11691	19.5
137.09634	3.3
139.11243	1.6
141.06987	2.4
143.08589	6.5
145.09158	2.1
145.10144	19.3
147.11717	17.1
149.09612	7.6
149.13278	11.3
151.11148	2.5
155.08557	2.5
157.10150	7.3
159.11702	18.4
161.09702	2.4
161.13243	4.3
163.11177	4.0
163.14838	2.7
165.12714	2.6
169.10149	2.9
171.11705	6.0
173.04454	2.8
173.09567	1.4
173.11884	1.9
173.13223	6.5
175.14822	3.2
177.12779	3.5
179.14166	1.6
183.11636	3.3
184.07413	4.0
185.13272	4.3
187.14865	4.5
189.16454	1.8
195.11794	1.4
195.13759	3.9
197.13237	2.6
199.14871	2.6
201.16515	1.6
203.14311	1.4
211.14935	2.2
217.15807	2.2
219.17520	3.2
227.12730	1.8
229.14320	6.5
229.19403	1.7
235.16924	2.5
239.17915	2.2
241.19701	1.9
243.21060	3.9
251.16454	1.8
255.15814	8.1
257.19070	6.4
261.22153	12.4
267.15799	2.3
269.17517	24.9
275.20093	23.3
293.20865	2.3
309.20416	7.4
317.24966	2.0
331.22519	2.0
333.24265	1.9
335.25824	100.0
349.23779	21.1
351.25281	1.6
367.24982	2.4
413.21619	2.1
489.35852	2.7
515.37292	11.3
529.38959	55.5
529.46967	2.7
543.40436	3.0
569.41840	15.9
570.42108	1.5
609.36292	1.7
609.45178	20.3
616.43335	1.5
627.46027	5.0
690.10693	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	1.5
61.02928	2.9
65.03935	6.3
67.05509	96.8
69.03436	6.4
69.07070	29.4
69.25733	17.3
71.05009	3.5
77.03931	1.8
79.05500	76.9
81.03425	6.4
81.07063	90.1
83.04991	6.5
83.08620	14.8
85.02913	4.0
85.06553	4.1
91.05487	65.0
93.07050	71.6
95.04976	11.9
95.08612	65.6
95.09238	2.3
97.02900	5.3
97.06530	12.1
97.10189	10.4
99.08083	1.8
101.21960	2.0
103.05489	3.3
105.04578	2.0
105.07037	60.7
107.04976	5.8
107.08602	49.2
109.06528	7.3
109.10163	29.0
111.08067	7.7
115.05424	3.8
117.07022	24.4
119.08582	40.5
121.06499	4.5
121.10146	30.0
123.08047	4.2
123.11729	7.8
125.09621	9.4
127.03972	2.1
128.06245	3.0
129.07014	10.9
130.07811	1.8
131.08574	31.5
133.10138	32.2
135.08086	2.7
135.11700	17.5
137.09634	5.3
141.06973	3.0
143.08563	10.4
145.06442	2.8
145.10129	24.8
147.11696	21.1
149.09653	10.1
149.13310	10.0
155.08513	3.1
157.10139	13.6
159.11707	25.3
161.13298	11.6
163.11232	5.5
165.12682	1.8
168.09265	1.6
169.10150	4.5
171.11676	8.1
173.11890	3.2
173.13251	16.9
175.11174	2.5
175.14828	4.0
177.12796	3.1
179.14288	1.9
183.11690	5.1
185.13254	15.4
187.14842	4.8
189.11195	3.7
189.12785	1.7
191.14420	1.7
197.13268	4.5
199.14867	2.5
201.12860	1.9
203.14433	4.1
218.13039	1.8
219.17580	4.6
227.12752	11.0
229.14330	4.0
229.19569	3.1
239.17958	9.1
243.21042	2.2
257.18976	20.5
259.20514	2.8
261.22098	9.8
267.15833	2.5
269.17435	3.1
275.20068	41.4
293.21222	2.8
303.49469	1.7
309.20682	2.2
317.24817	2.6
318.14487	1.7
331.22678	5.4
333.24341	3.6
335.25830	100.0
336.26120	2.0
349.23737	32.6
455.14868	1.7
489.35187	7.7
505.35184	3.2
515.37347	3.2
529.38855	6.1
535.42981	1.8
569.41882	5.7
600.99982	1.8
609.45142	49.4
610.34052	1.7
610.45490	3.8
627.46106	6.3
652.60138	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.9
65.03944	3.0
67.05507	50.7
69.03442	2.3
69.07072	36.6
70.02200	7.4
70.02620	5.9
71.04985	2.7
72.36118	2.4
79.05501	52.8
81.03423	7.0
81.07063	60.6
83.04990	6.7
83.08612	11.5
85.06550	3.8
89.29342	2.3
91.05489	85.8
93.07050	46.2
95.01344	7.5
95.04950	11.9
95.08618	39.0
97.06540	18.9
97.10161	4.1
103.05458	3.3
105.07032	100.0
107.04972	16.0
107.08610	25.8
109.06525	3.8
109.10149	11.3
111.08073	4.7
117.07026	25.6
119.08586	60.5
121.06522	5.6
121.10147	17.9
123.08105	5.6
123.11720	3.0
125.09676	3.7
129.07014	7.6
131.08568	32.4
133.10149	55.2
135.08051	3.4
135.11705	11.4
135.45576	2.3
139.07550	2.1
141.06987	4.0
142.07768	2.9
143.08562	8.0
144.75250	2.3
145.10143	23.4
147.11696	30.8
148.19853	2.3
149.09680	3.9
149.13255	6.9
157.10118	9.1
159.11713	23.0
161.13290	17.1
163.11215	3.8
163.14908	2.3
165.09117	3.0
169.10175	3.4
171.11722	8.0
173.13240	5.7
175.14813	7.9
177.12749	3.3
177.79472	2.3
179.14310	9.4
185.13347	5.7
192.30389	2.5
213.16335	3.3
241.19514	17.8
257.18994	8.0
259.20569	28.7
275.20096	64.4
315.23221	12.9
333.24268	54.0
349.23761	49.8
359.11252	2.5
385.11902	3.0
404.95578	2.4
513.35547	3.3
607.43610	95.8
608.44128	7.8
625.44495	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.2
65.03938	3.4
67.05510	61.7
69.03439	8.6
69.07069	28.9
69.58047	9.7
69.88327	1.5
71.04982	2.8
79.05496	42.6
81.03426	6.0
81.07063	52.4
83.04972	4.2
83.08621	8.4
85.02887	2.0
85.06545	1.8
86.09675	1.7
91.04974	1.1
91.05485	27.4
93.07050	41.5
95.04974	12.8
95.08612	37.6
97.02917	7.7
97.06520	3.9
97.10170	13.5
98.21477	2.4
99.33949	1.4
105.07043	20.5
107.04954	6.2
107.08599	22.0
108.05756	1.6
109.06522	3.7
109.10157	15.3
111.08067	2.6
117.07043	10.7
119.08589	15.4
121.06452	2.0
121.10150	15.2
123.08055	4.2
123.11703	2.2
125.09634	6.9
127.53179	1.3
129.07008	1.9
131.08601	11.7
133.06493	2.8
133.10129	9.1
135.08028	3.3
135.11714	7.6
137.09688	1.9
143.08542	2.4
145.10081	9.9
147.08032	5.5
147.11691	5.0
149.13254	5.5
157.10156	2.5
159.11699	6.0
161.09625	2.4
161.13258	3.1
163.14842	1.7
165.09149	1.6
171.11728	2.2
173.13268	2.3
177.12781	2.1
184.07326	3.5
187.14766	1.9
189.11217	2.9
205.18698	1.4
223.13301	18.3
249.14882	2.7
255.17599	1.6
261.22089	7.3
273.18491	12.2
291.19559	100.0
292.19821	1.6
310.70026	1.6
317.24777	2.5
335.25812	87.8
336.26096	2.9
347.22183	2.0
365.23245	45.0
366.23965	1.7
522.92920	1.5
532.72662	1.5
545.38458	3.4
607.43353	3.8
625.44653	83.9
626.44672	3.3
637.46436	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	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	11.5
61.96653	2.5
65.03933	6.8
67.05509	93.3
69.03422	3.6
69.07073	26.1
69.65404	8.9
69.65816	7.0
71.04991	6.3
79.05499	74.9
80.03161	2.6
80.40743	2.3
80.89297	2.4
81.03419	6.3
81.07063	89.6
83.04993	28.5
83.08614	7.5
85.02885	3.8
85.06554	2.9
91.05486	67.8
93.07048	66.9
95.04964	11.8
95.08622	50.7
97.06564	4.9
99.08060	3.2
105.07040	54.4
107.04939	8.8
107.07963	3.9
107.08613	51.8
109.06510	8.5
109.10170	54.0
115.05404	2.8
117.07007	14.2
119.08598	23.1
121.06533	6.0
121.10141	20.3
123.08070	3.7
123.11678	10.1
125.54961	2.9
127.07582	4.1
129.06984	3.7
129.12918	2.7
131.08575	20.9
133.06470	3.8
133.10141	75.1
135.08099	5.9
135.11696	14.2
137.09624	5.3
143.08516	5.8
145.10110	14.5
147.08028	4.7
147.11665	9.8
149.09596	4.8
149.13246	8.8
151.11200	28.6
157.10022	2.5
159.11684	8.5
161.09666	6.8
161.13287	7.8
169.12338	5.1
171.11621	3.7
173.13298	5.7
177.09109	2.4
181.12183	3.4
185.13274	2.6
187.14847	2.6
199.11351	2.9
215.12671	3.3
243.20988	3.8
245.19034	3.6
250.02881	2.7
253.14374	84.1
254.14966	2.7
259.20554	6.2
261.22141	10.3
263.19910	3.4
273.18372	16.6
291.19458	21.7
297.22150	2.7
306.04373	2.4
323.36725	3.0
333.24054	5.9
335.25836	100.0
336.26260	3.7
347.22192	8.5
365.23236	37.3
513.35687	7.2
529.35272	4.0
531.36993	27.9
535.78198	3.2
607.43396	6.5
611.46436	5.2
625.44617	54.0
712.82849	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	820.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86960	9.2
61.99723	11.5
67.05499	32.3
69.36242	33.5
69.36674	55.6
78.11331	10.8
79.05482	28.2
81.07076	49.5
81.25272	13.2
90.24262	9.8
91.05505	12.4
93.07063	25.4
95.08609	43.0
107.08625	13.4
109.10159	17.2
112.22092	12.5
117.07007	10.5
121.10147	17.5
135.11670	21.1
149.13271	12.3
208.66185	11.3
215.12378	10.4
229.54849	10.0
242.30032	11.0
261.22122	14.4
288.09741	10.0
325.32162	11.6
335.25906	100.0
336.26251	39.5
562.46814	10.6
613.48199	13.6
633.87646	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	821.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	17.9
57.07065	1.3
59.05006	1.0
61.02930	67.4
65.03928	3.3
67.05508	32.9
69.03076	1.6
69.03432	26.2
69.07078	6.6
70.06583	0.9
71.01333	2.2
71.04974	4.6
73.02921	22.9
75.04470	2.2
79.05055	1.6
79.05495	23.6
81.03421	25.3
81.07060	28.9
83.04983	3.5
83.08622	2.9
85.02911	100.0
85.06537	1.5
87.04464	3.9
91.03962	52.3
91.05476	14.3
93.07050	22.9
95.04342	0.8
95.04966	4.7
95.08615	22.1
97.02896	77.2
97.06542	2.2
97.10179	1.9
98.02192	1.0
99.04456	12.7
99.08018	0.9
101.02388	5.4
103.03957	11.3
105.07033	10.0
107.04936	1.1
107.08595	15.4
109.02882	13.6
109.06487	2.1
109.10173	10.1
111.04455	4.1
111.08077	1.7
115.03921	5.3
117.05508	2.2
117.07021	6.1
119.08587	10.1
121.10140	12.8
123.08031	1.8
123.11701	4.9
127.03918	36.7
129.05498	6.4
129.06967	2.3
131.08583	8.1
133.10153	7.3
135.11711	7.9
137.13206	1.3
139.03891	1.0
141.05444	1.1
143.08559	2.2
145.04967	29.5
145.10104	5.7
146.08145	1.7
147.11711	7.2
149.02383	1.9
149.09602	1.1
149.13240	5.5
155.08456	1.5
157.10110	2.0
159.06613	2.1
159.07941	1.1
159.11697	7.1
161.13239	4.9
163.03967	6.6
163.06021	19.6
163.11220	1.6
163.14822	2.7
170.06723	1.0
171.06534	2.9
171.11743	3.2
173.13275	5.6
173.14482	0.9
175.14876	1.7
179.14246	1.0
183.06570	9.3
183.11690	1.4
185.13274	1.6
187.14828	3.1
189.12848	1.2
191.14406	1.1
197.13342	1.6
199.14755	1.4
201.07628	8.1
209.13365	1.0
219.08684	1.6
223.14923	1.5
228.23225	1.4
229.12076	1.5
243.21124	4.0
259.20581	2.7
261.22168	17.3
277.21628	1.1
285.22089	1.7
291.23169	1.4
301.22220	1.3
303.23251	2.3
306.26770	1.0
315.23203	1.9
317.24744	1.6
323.23669	1.3
327.23184	1.5
333.24414	1.4
335.25806	55.0
345.24301	2.0
346.68665	1.1
351.23242	2.8
363.25259	2.4
369.24133	2.7
377.26843	4.1
387.25024	1.7
405.26382	2.3
419.27679	1.8
431.28125	1.2
443.27869	5.6
461.28931	5.5
479.30042	11.1
497.30841	3.4
574.78510	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	818.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.4
57.07073	2.1
59.60252	1.7
61.02919	2.2
65.03951	2.6
67.05508	45.2
69.03445	1.5
69.07067	11.6
71.04978	1.6
79.05500	26.4
81.06580	2.4
81.07063	49.5
83.08607	6.2
85.02888	2.2
85.06541	1.8
91.05485	18.5
93.07049	33.6
93.21354	1.5
95.08051	2.8
95.08614	39.0
97.06556	3.5
97.10194	2.1
101.07172	1.7
105.07037	15.4
107.08595	16.8
109.10156	14.1
110.07220	1.8
117.07002	7.7
119.08597	10.5
121.10132	16.2
123.11709	5.4
131.08583	9.8
133.10118	9.7
135.11737	11.9
137.13287	1.7
145.10127	7.1
147.11676	9.1
149.13283	8.3
159.11737	8.1
161.13263	6.3
163.14810	4.2
171.11679	1.8
173.13297	6.9
175.14835	3.4
184.07361	2.4
185.13278	2.1
187.14827	4.5
199.14842	1.9
201.16452	1.8
206.10222	2.1
241.19644	3.9
243.21107	7.0
259.20636	6.5
261.22159	18.8
317.24875	3.7
333.24228	5.7
335.25824	100.0
336.26123	2.0
337.27133	8.1
451.81400	1.9
458.23569	1.9
595.47107	10.2
613.48206	8.8
791.22571	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	813.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
61.02939	5.1
61.85945	0.6
65.77006	0.7
67.05509	4.6
69.03429	3.7
69.07091	2.2
71.60474	1.0
73.02926	3.5
74.66096	0.7
79.05504	4.4
80.66626	0.7
81.03419	1.0
81.07066	5.2
83.08597	0.9
85.02909	4.9
86.09703	1.3
91.03971	3.8
91.05482	3.5
93.07057	4.9
95.08610	3.8
97.02902	5.4
101.02380	1.5
105.07060	2.9
107.08611	2.3
109.02927	0.9
109.06573	0.8
119.08595	1.9
121.10145	1.8
127.03915	1.2
131.08565	1.1
133.10182	0.8
135.11722	1.2
145.10117	1.0
147.11786	0.7
157.09976	0.7
184.07349	3.3
185.04280	1.4
224.40491	0.7
243.08417	2.5
259.20850	1.2
301.09073	1.3
519.29340	8.6
520.29669	0.8
535.28967	4.7
813.51306	100.0
814.51691	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	810.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	0.4
60.08166	6.4
60.08473	0.3
61.70088	0.2
63.34961	0.2
67.05498	0.4
69.03443	0.3
70.06595	0.3
71.07378	4.0
71.59091	0.4
75.98176	0.2
79.05501	0.3
81.07063	0.4
86.09712	30.7
87.10050	0.2
91.05488	0.3
95.08600	0.2
96.08138	0.2
97.48022	0.2
98.98470	3.8
104.10754	2.8
109.10193	0.2
112.07590	0.2
120.05329	0.2
125.00014	21.2
140.07129	0.3
143.01163	0.4
184.07355	100.0
185.07713	1.1
204.12173	0.2
672.42316	0.3
712.45374	0.4
792.50745	0.5
810.52863	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	812.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	17.4
57.07075	8.5
61.02905	5.4
63.36922	3.6
65.03957	4.9
67.05511	81.6
69.03435	7.3
69.07079	39.0
71.04985	10.8
73.02943	4.3
76.62304	3.8
79.05502	80.7
81.03402	15.0
81.07067	100.0
83.04985	8.7
83.08611	13.8
85.02911	8.3
86.09692	12.9
91.03977	4.8
91.05491	83.3
93.06477	4.5
93.07051	77.6
95.04970	14.3
95.08614	51.8
95.27736	4.0
96.22941	4.2
97.02925	7.1
97.06554	30.4
98.20776	9.7
99.08127	4.4
103.05481	5.9
105.07041	63.6
107.04949	8.7
107.08590	41.2
108.37395	4.3
109.06544	10.3
109.10178	25.3
109.88059	4.0
111.08080	11.0
115.05484	6.9
117.07037	35.3
119.08585	53.8
121.10142	31.6
123.08057	4.2
125.00101	4.3
125.09648	6.4
128.06169	4.4
129.05530	4.8
129.07024	26.4
131.08582	43.5
133.10152	44.5
135.08047	8.2
135.11716	16.7
140.99554	4.1
141.07016	5.1
142.07787	5.7
143.08578	25.3
145.10120	34.6
147.11700	30.4
149.09615	7.4
149.13269	9.0
155.08594	12.3
157.10143	15.8
159.11763	22.8
163.11263	6.5
167.08626	6.9
169.10133	11.3
171.11700	22.2
173.13269	12.2
181.10106	9.6
183.11716	13.1
184.07333	22.7
185.13287	12.6
187.14822	7.3
197.13322	7.3
199.14893	7.6
209.13271	7.2
213.16438	13.8
215.17831	6.2
229.15872	8.5
231.17526	11.8
251.18013	5.3
269.17520	8.8
273.18582	5.7
295.35922	3.9
305.21234	8.0
307.22827	30.3
327.44193	4.4
335.26025	8.2
365.23331	5.1
485.32504	9.2
499.34177	6.6
501.35843	9.7
581.41534	20.5
597.41199	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	808.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	2.1
57.03442	23.6
57.07073	2.1
60.52616	1.2
61.02923	2.7
65.03928	4.4
66.58499	1.4
67.05507	84.1
68.51129	1.4
69.03418	3.4
69.07071	24.7
69.44493	1.3
69.84188	6.5
71.04987	3.7
77.44325	1.3
79.05496	69.2
81.03420	4.2
81.07063	87.6
83.04980	4.5
83.08620	12.3
85.02899	3.7
85.06538	3.2
91.03970	1.8
91.05482	49.9
93.07051	76.5
95.04978	7.2
95.08615	69.3
95.09235	3.2
96.08955	1.5
97.02870	4.0
97.06524	5.5
97.10162	4.7
98.21397	2.3
99.08082	4.0
105.04525	2.3
105.06297	2.0
105.07033	43.0
105.15351	1.2
107.04944	1.7
107.08600	43.7
109.06503	5.3
109.10162	22.0
111.08081	3.4
111.11573	1.4
115.05521	2.0
117.07038	17.0
119.07793	2.7
119.08588	34.1
121.10152	32.9
123.08059	4.2
123.11687	5.8
125.09606	2.1
129.07040	7.0
131.08586	20.5
133.10144	27.8
135.08008	1.5
135.11703	24.7
137.09651	2.6
137.13211	2.5
140.67371	1.4
143.08574	7.0
145.10146	18.6
147.11708	17.0
149.09689	1.9
149.13284	9.9
157.10146	5.6
159.11690	15.2
161.13268	10.9
161.43393	1.3
163.11253	1.8
163.14830	3.4
169.10106	1.9
171.11702	5.5
173.13187	8.0
175.14799	4.9
177.12784	2.4
179.14372	1.7
183.11664	1.7
185.13223	5.3
187.14803	10.0
189.16399	1.8
199.14876	2.5
201.16396	2.1
205.15871	1.6
241.19543	7.2
243.21040	2.2
257.19064	2.4
259.20575	19.4
261.22162	9.7
271.16931	1.5
275.20203	1.5
277.21667	18.1
285.21646	1.2
293.21182	3.0
317.24524	1.9
333.24292	14.9
335.25824	100.0
336.26169	3.0
351.25351	30.9
529.38782	4.1
611.46704	33.1
612.46558	1.4
730.73425	1.4
792.76703	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	808.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	13.3
59.55702	2.9
60.00091	3.1
65.03942	7.8
67.05508	98.1
69.07077	25.1
78.04663	3.7
79.05061	6.0
79.05501	84.3
81.07064	100.0
83.08627	16.0
91.04966	5.8
91.05492	79.3
91.06027	2.6
93.07050	86.1
95.04982	12.0
95.08044	5.0
95.08617	70.6
97.06525	7.4
97.10171	4.8
99.08091	5.9
103.05472	3.3
105.07043	82.9
105.23621	3.5
107.08602	53.0
109.06506	5.1
109.10164	28.2
117.07005	27.2
119.08595	56.1
121.10154	41.9
123.11722	8.7
125.09625	5.1
129.06999	13.0
131.08575	33.6
133.10138	47.1
135.08078	3.7
135.11723	33.8
143.08551	12.9
144.40150	3.2
145.10138	25.1
147.07994	5.1
147.11702	45.2
149.13295	16.9
155.08609	4.8
157.10143	15.0
159.11705	30.0
161.13266	26.9
163.14758	4.8
171.11707	15.6
173.13263	15.1
175.14830	11.9
182.12823	3.5
185.13255	11.0
187.14783	5.2
197.13113	4.6
203.14357	4.0
229.24509	3.5
231.21100	6.5
239.18045	4.4
241.19530	21.0
257.18948	9.7
259.20627	55.5
261.22125	12.3
315.23019	4.1
333.24301	46.9
335.25824	88.2
337.27451	4.1
369.33856	3.8
519.42188	5.5
593.45837	7.8
611.46667	38.0
840.61102	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	807.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01074	2.9
67.05490	3.4
70.06592	6.7
71.59139	3.8
79.05503	3.9
81.03436	2.7
81.07072	4.1
84.27345	2.8
85.02899	3.9
94.06584	6.7
95.04980	2.7
105.01768	2.8
106.06568	4.4
108.08128	14.6
111.11592	2.9
118.66628	2.9
120.08118	5.8
122.06029	4.6
123.04430	4.0
129.07013	3.0
131.07295	3.7
132.08035	4.2
134.05988	4.9
135.04407	3.4
136.07573	14.1
144.08093	8.8
148.07582	12.2
156.08125	5.1
157.08838	4.1
158.05978	4.1
158.09644	12.4
158.10841	3.2
162.05457	3.2
162.09149	3.4
163.03928	21.8
164.07065	6.0
166.08661	6.8
171.09193	3.5
172.07538	3.1
174.09154	3.0
180.29156	3.2
183.09111	3.5
185.10727	3.6
186.09125	8.2
187.06322	4.9
194.08325	5.2
194.15356	3.2
196.09746	4.3
197.10648	3.6
199.08612	4.6
200.07072	3.2
201.10292	4.8
202.08571	3.7
204.06615	4.2
206.08107	3.2
209.10744	8.0
211.08658	15.3
213.10248	9.0
214.31825	3.1
223.08678	5.1
224.09250	3.6
225.10252	11.5
226.10951	3.8
227.08261	4.4
227.11798	18.2
229.09642	2.9
237.10284	13.8
241.09729	19.5
248.09209	21.8
249.10004	3.7
250.10936	3.3
251.08096	3.5
251.11949	4.8
253.09813	6.7
253.12946	3.0
262.07040	4.0
263.08121	4.4
263.11795	2.8
265.09738	13.8
267.11270	7.9
269.09283	6.7
269.12842	14.0
271.10754	6.0
276.08740	18.9
279.07452	3.6
279.10919	3.0
280.11771	4.9
281.09293	3.0
281.12851	2.8
285.12366	12.7
286.13101	10.3
287.10663	4.7
287.13901	19.1
293.09152	17.1
293.12399	3.5
295.10822	4.4
297.12250	5.5
299.13907	17.6
306.09567	5.8
307.07059	4.0
316.08057	3.8
321.08694	12.7
321.12292	6.4
325.11929	4.5
337.11832	4.0
339.09738	5.1
339.13455	3.5
340.14218	3.9
343.13043	3.9
353.11337	5.1
354.12213	3.2
357.14871	4.3
358.15460	6.2
365.11243	4.8
367.13873	3.6
368.13821	3.5
370.11865	4.1
371.16208	3.6
373.10202	5.0
381.10782	6.8
383.12564	3.7
384.13611	3.6
391.11343	4.3
412.12534	4.1
416.16074	5.1
417.12909	5.2
425.09839	8.2
428.15942	6.0
457.11990	13.9
460.18829	5.1
474.16534	4.5
488.18167	5.1
520.20184	4.7
548.20209	3.7
568.13000	3.3
576.19916	16.1
579.22394	5.7
594.20105	3.6
607.21680	11.2
608.22101	10.3
620.18817	100.0
621.18951	6.4
625.22955	10.2
638.19659	12.0
643.23492	4.6
652.21436	92.6
653.21844	6.1
657.25378	3.9
667.23596	8.3
683.23663	4.6
684.23969	20.6
693.21985	6.5
711.12219	3.9
711.23163	66.8
743.25543	16.7
787.96057	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	806.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.8
65.98518	1.7
67.05508	24.1
69.07066	6.1
71.58562	2.7
79.05493	17.4
81.07056	24.6
83.08604	2.7
91.05479	8.5
93.07035	17.0
95.08607	24.9
105.07066	8.9
107.08595	9.3
109.10147	9.4
119.08590	5.3
121.10150	9.3
123.11725	4.8
131.08583	4.9
133.10132	6.8
135.11710	8.3
137.13232	2.1
139.38327	2.0
145.10130	5.9
147.11694	4.0
149.13200	4.3
155.74153	1.9
159.11670	6.1
161.13287	3.2
163.14861	3.8
173.13298	2.5
175.14807	2.0
187.14832	2.6
231.59088	2.1
242.99428	1.9
243.21121	5.1
252.81743	1.7
259.20789	3.0
261.22134	14.1
281.75391	1.8
285.63248	1.7
304.26450	4.2
304.59122	1.9
317.24884	3.1
333.24191	3.8
335.25818	100.0
336.26068	3.5
337.27280	3.5
554.61194	2.3
595.47394	16.1
613.48041	5.0
660.60382	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	806.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	14.0
65.03928	2.7
67.05174	2.5
67.05513	45.6
68.19459	1.8
69.07079	16.1
71.03754	3.8
79.05502	35.6
79.05955	2.7
81.03418	2.9
81.07065	53.7
83.04989	3.5
83.08613	5.1
85.06552	3.9
85.38161	1.9
91.05492	40.8
93.07062	39.4
95.04961	6.6
95.08044	3.1
95.08617	40.1
97.06537	6.0
97.10210	3.0
99.04461	2.0
99.08076	2.0
105.07049	31.6
107.04956	4.9
107.08601	23.4
109.06515	7.7
109.10196	11.4
113.09750	1.7
117.07042	12.8
119.08601	25.3
121.06468	3.0
121.10142	13.1
123.08036	5.2
129.07043	2.4
131.05040	1.7
131.08591	20.4
133.10153	17.8
135.08090	2.8
135.11673	8.6
139.15050	1.6
143.08571	4.1
145.10117	11.1
147.11690	7.6
149.09718	1.9
149.13284	3.0
157.10208	2.0
159.11699	10.1
161.13303	3.0
173.13193	2.4
175.14795	1.8
179.14375	2.4
183.11807	2.0
184.07431	3.6
185.13216	2.8
185.16824	1.6
201.16341	3.2
203.14374	3.0
219.17467	69.0
257.18958	2.3
275.17285	2.7
275.20090	29.1
335.25848	83.7
349.23749	19.6
375.76874	2.4
466.64261	1.7
609.45160	100.0
610.45325	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	805.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	16.3
61.83820	4.0
62.92051	3.9
65.03930	5.9
67.05508	70.0
69.07071	11.5
79.05503	41.3
81.03427	4.6
81.07063	57.8
83.08611	7.5
85.06544	10.3
86.09721	10.2
89.15982	4.5
91.05488	41.1
93.07056	51.3
95.04977	44.2
95.08604	34.6
97.06502	4.5
98.21107	23.4
105.07042	22.4
107.04958	13.4
107.08605	32.7
109.06531	55.2
109.10145	6.9
113.06013	24.2
117.07024	13.1
119.08598	15.1
121.10132	12.4
123.08095	4.2
125.00043	8.7
129.06998	6.9
131.08554	19.6
133.10121	16.0
135.08086	37.1
135.11681	5.0
143.08498	6.5
145.10118	13.4
147.11612	7.3
149.09650	6.5
159.11734	8.9
161.09634	7.9
161.13139	4.2
171.11693	4.6
174.93088	4.3
184.07359	29.3
185.13280	6.2
199.14709	4.1
217.15938	11.2
229.28539	4.5
273.18494	34.5
291.19534	100.0
335.25854	77.6
347.22241	11.7
365.23154	15.9
380.60593	5.2
487.96826	5.1
607.43481	11.8
625.44666	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	2.3
57.02573	0.5
57.03448	0.8
58.06601	100.0
59.06126	4.2
61.02930	1.3
65.03962	0.6
65.11420	0.5
67.05505	7.0
69.03448	0.7
69.07075	2.0
70.06597	0.6
71.04994	0.5
73.02939	0.5
79.05492	7.7
79.05910	0.8
81.03412	0.6
81.07064	6.0
82.06600	1.5
83.08634	0.8
84.04504	0.5
84.08137	2.5
85.02914	1.5
87.42439	0.4
91.05474	4.6
93.07044	6.6
94.06558	4.0
95.04994	1.4
95.08605	4.3
96.08143	1.0
97.02893	0.7
98.21607	0.9
103.35383	0.4
105.07046	3.6
106.06603	0.7
107.08591	3.9
108.08160	0.5
109.10203	1.2
110.09719	0.5
112.07643	1.1
115.46643	0.4
117.07040	1.3
119.08588	2.1
120.08091	0.7
121.10119	2.6
122.09702	0.8
124.11272	1.6
129.07045	1.0
131.08612	1.2
133.10144	1.2
134.09660	1.1
135.08081	1.0
135.11729	1.2
145.10141	1.4
147.11720	0.9
149.13344	0.6
152.10756	1.0
162.12711	0.4
164.14381	1.2
171.11642	0.5
194.20291	0.5
217.91335	0.4
229.23424	0.5
247.50597	0.5
260.20239	0.5
261.78156	0.5
290.21246	1.0
300.23245	0.7
307.22638	2.3
318.24487	0.6
335.25867	1.4
392.28391	0.9
504.37103	0.8
624.45923	2.2
642.47314	32.4
643.47723	1.8
786.50873	0.8
804.52673	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	801.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31844	0.8
57.03434	2.4
61.02937	6.1
61.57053	0.7
63.47021	0.7
67.05503	6.6
69.03430	3.2
69.07066	2.5
70.95126	1.2
71.50906	0.7
73.02925	5.2
76.58049	0.7
79.05499	6.2
81.03439	2.4
81.07068	5.1
85.02907	6.0
91.03960	4.7
91.05476	3.3
93.07063	5.7
95.04987	1.4
95.08601	4.5
97.02895	5.0
97.06555	0.7
97.10187	0.8
99.04462	1.0
101.02396	2.4
105.07050	1.8
107.08606	2.6
109.10188	2.4
117.07110	0.9
119.08582	1.4
121.10162	3.2
127.03983	1.3
131.08626	1.3
133.10175	0.9
135.11729	1.1
145.10121	1.0
145.17294	0.6
157.45213	0.8
159.11731	0.9
175.01578	0.7
184.07343	3.7
191.65579	0.7
212.43814	0.8
230.27196	0.8
235.34477	0.6
243.08437	2.7
262.00418	0.7
280.39587	0.6
307.22791	1.1
322.90521	0.7
333.20490	2.4
346.20908	0.6
349.69629	0.8
456.31848	0.9
491.26199	7.9
498.38651	0.8
551.28369	2.9
573.68835	0.8
629.63623	0.7
801.47565	100.0
802.47821	7.9
806.83594	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	799.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
61.02930	7.3
67.05516	7.0
67.09998	0.4
69.03437	5.1
69.07066	2.2
71.01350	0.6
71.04996	0.5
71.19965	0.9
73.02928	4.9
79.05502	4.2
81.03432	1.2
81.07067	6.4
83.08636	1.5
85.02914	6.1
91.03955	3.3
91.05473	2.4
93.07062	3.2
94.97147	0.5
95.08617	5.2
97.02894	5.6
97.10220	0.5
99.04472	0.8
101.02405	2.2
105.07070	1.6
107.08626	1.8
109.02893	0.8
109.10191	2.0
117.07030	0.6
119.08558	0.7
121.10173	1.6
127.03931	1.2
131.08545	0.6
133.10162	0.9
135.11717	1.0
145.04988	0.7
146.70589	0.4
147.11769	0.5
149.13336	0.7
150.52448	0.5
185.04350	1.1
205.67802	0.6
243.08485	2.3
496.92712	0.5
519.29352	9.1
521.30780	5.4
582.86127	0.6
799.53339	100.0
800.53595	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	797.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
61.02932	5.8
62.39042	0.3
65.03967	0.5
67.05512	6.4
68.53995	0.4
69.03425	3.6
69.07074	1.3
70.78043	0.6
70.78382	0.6
71.01373	0.5
73.02921	4.3
79.05502	5.1
81.03428	2.0
81.07065	6.2
82.85410	0.3
83.08620	0.7
85.02915	5.9
85.03371	0.6
87.04488	0.5
91.03973	4.5
91.05487	2.4
93.07053	5.1
95.04987	0.6
95.08620	4.3
97.02905	5.7
97.06556	0.4
99.04489	1.0
101.02399	2.5
103.03941	0.4
105.07056	1.2
107.08593	2.2
109.06543	0.3
109.10165	1.8
117.07039	0.8
117.86967	0.3
119.08595	1.1
119.83002	0.4
121.10202	1.7
127.03960	1.8
129.05447	0.4
131.08603	1.0
133.10176	0.9
135.08162	0.3
135.11743	1.1
145.04980	0.4
145.10114	0.8
149.13322	0.8
159.11745	0.3
161.13251	0.3
184.07397	0.4
185.04222	0.7
203.05377	0.4
243.08434	1.6
335.26007	0.6
519.29297	13.3
729.96204	0.4
797.51776	100.0
798.52307	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	798.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	8.9
69.31345	17.0
70.06600	28.5
79.05495	5.8
80.04999	2.0
81.03403	5.1
81.07064	2.1
82.06562	2.1
85.02920	2.3
89.03928	2.6
91.05499	4.0
93.05786	2.8
93.07027	5.2
94.06573	17.3
95.04974	5.6
96.08154	5.0
103.05489	4.2
105.07034	2.7
107.07319	1.8
108.04498	5.1
108.08128	16.4
110.06036	6.0
110.09673	4.8
112.07602	5.3
116.04926	3.0
119.08645	2.1
120.04472	10.0
120.08112	24.5
122.06058	23.9
122.09679	2.4
124.07628	4.7
125.72115	1.6
127.03972	2.5
130.08620	2.3
131.04919	3.4
132.04477	2.2
134.06036	6.3
135.04427	4.3
136.07597	27.7
138.05510	2.0
138.09140	6.8
144.04462	5.4
145.02867	2.7
146.06018	19.7
147.04478	2.8
148.07578	29.3
150.09143	4.0
152.07094	2.6
160.04021	8.5
162.05579	6.6
163.03926	16.2
164.04256	2.5
164.07053	3.0
166.08661	6.9
172.03940	35.2
174.05540	8.9
176.07170	1.9
180.19510	2.0
186.05476	3.9
190.05000	25.2
195.09111	2.0
197.10721	2.3
198.09158	2.2
199.12358	4.2
204.06577	45.6
209.10767	3.7
210.09395	3.0
210.11481	4.1
211.08699	7.4
211.12334	5.5
213.10278	3.6
223.08733	2.9
223.12303	5.5
225.10225	14.6
227.11804	30.6
235.12462	2.2
236.09428	5.9
237.10199	8.1
238.11066	4.8
239.11815	6.8
241.09740	4.2
249.10106	4.3
251.08047	2.9
251.11800	14.5
252.08949	2.9
253.09645	9.7
253.13504	3.3
255.11388	10.2
263.08185	3.0
264.08963	12.5
265.09656	2.9
267.11322	6.0
269.12836	18.9
271.10788	17.3
273.12396	2.3
277.09900	4.1
278.10535	5.5
279.11273	34.0
280.11578	2.0
281.12817	7.5
283.10858	7.2
284.11545	3.7
285.12369	7.2
287.13947	26.7
291.11325	2.1
292.08606	3.5
293.09311	2.3
293.12741	2.5
295.10675	2.4
297.12360	18.7
299.14008	2.1
307.10785	34.0
309.12280	5.1
311.13940	2.9
313.12473	3.0
314.13211	2.5
315.13657	4.9
321.12451	4.1
323.10287	9.0
325.11896	25.1
326.12778	2.7
326.16513	2.5
327.13684	2.9
328.10864	4.5
328.14413	3.5
330.16104	5.4
331.16837	5.4
339.13531	11.5
340.14285	2.5
341.11588	2.0
341.15225	2.9
342.12332	10.5
343.13095	7.8
344.13956	2.2
352.14624	2.5
355.13214	2.7
356.13992	8.1
357.14676	8.9
358.15518	4.9
359.12289	4.2
365.11435	12.5
367.13232	2.8
370.15436	8.3
371.16553	3.7
372.17114	3.0
378.18076	4.3
382.11832	2.4
383.12784	3.5
384.13278	5.4
384.18573	2.2
385.14093	6.4
386.14658	2.3
386.18896	3.9
390.18060	7.1
394.15604	1.9
396.17328	2.2
397.13931	6.1
398.15033	23.5
399.15881	25.3
400.15991	3.2
404.16013	7.2
408.19333	3.2
411.11938	16.4
412.16348	4.9
414.18298	3.9
416.16095	22.7
422.16785	4.0
428.15833	6.8
430.17456	5.0
436.18765	47.2
437.18726	2.8
440.16241	16.2
443.14713	11.1
446.17163	7.7
454.17706	2.1
458.17188	23.4
468.21375	10.3
480.17703	3.0
490.19571	4.9
507.24503	2.1
523.23352	3.3
547.22125	2.4
565.24512	6.7
593.24066	22.5
602.50256	2.2
611.25092	41.1
612.25421	4.2
623.53308	2.3
625.26544	5.2
643.27826	10.3
653.25787	8.1
679.24109	11.8
697.25122	100.0
698.25153	7.2
704.30023	3.7
722.31885	73.5
722.44623	4.0
723.31940	6.4
729.27618	16.1
730.26349	2.1
754.34375	12.5
766.30554	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	794.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	17.4
57.07067	5.1
57.70799	1.1
61.02927	6.3
65.03936	3.5
67.05509	97.4
69.03432	1.7
69.07072	36.8
70.19170	5.9
71.04993	2.2
71.08623	2.0
79.05499	53.0
79.05962	2.9
81.07063	100.0
82.07394	1.3
83.04977	2.3
83.08627	19.5
85.02906	2.7
85.06532	2.8
85.82209	1.1
87.04465	1.6
91.04961	2.2
91.05491	30.7
93.07053	54.5
95.04957	3.4
95.08615	76.7
97.02902	2.6
97.06536	5.7
97.10185	10.2
99.08122	1.6
103.90921	1.0
105.07044	20.9
107.08606	29.1
109.06516	2.9
109.10166	32.4
111.08098	1.8
111.11760	1.7
113.09656	1.7
117.07009	6.2
119.08587	17.3
121.10147	27.0
123.11717	12.5
129.07004	1.6
131.08577	11.3
133.10123	14.8
135.11691	17.9
137.13258	2.5
139.11151	1.6
143.08528	2.2
145.10120	8.0
147.11699	9.6
149.09608	1.5
149.13264	7.8
151.11179	1.2
151.14836	1.9
157.10159	2.0
159.11740	9.1
161.13257	9.9
163.14827	5.8
165.16425	1.2
171.11707	2.5
173.13258	6.1
175.14839	5.4
177.16437	2.9
185.13374	1.4
187.14830	4.7
189.16377	2.2
203.17970	1.5
241.19533	1.9
243.21077	9.4
245.22646	3.2
253.25320	1.2
259.20624	4.3
261.22156	22.6
263.23605	6.0
279.23257	1.4
317.24866	3.8
321.86600	1.4
333.24106	2.3
335.25812	85.7
336.26099	2.7
337.27386	93.8
338.27811	1.5
338.55389	1.5
339.29044	6.4
345.67789	1.3
523.45105	4.4
541.45532	2.5
597.48706	33.6
598.49548	1.8
615.49805	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	796.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
58.06599	0.4
60.08170	5.8
63.73914	0.3
67.05510	1.1
71.07382	3.7
72.36080	0.3
79.05508	0.5
81.07059	0.9
86.09716	31.0
87.10037	0.6
91.05515	0.4
93.64446	0.3
95.08627	0.3
98.98468	3.8
99.49028	0.4
104.10759	1.8
105.07076	0.3
107.08568	0.4
119.08599	0.5
125.00020	21.7
154.39812	0.3
164.42334	0.3
165.78941	0.3
184.07365	100.0
185.07710	1.6
214.38756	0.3
453.22134	0.4
778.53900	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	794.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.0
57.07085	0.2
58.06365	0.1
58.06618	0.4
60.08167	6.4
67.05511	0.7
69.01113	0.1
69.07074	0.2
70.44434	0.2
71.07376	4.1
79.05497	0.3
81.07051	0.6
83.08639	0.1
84.67638	0.1
86.09708	31.0
87.04471	0.8
87.10020	0.2
91.05499	0.4
93.07029	0.4
95.08623	0.4
95.73705	0.2
98.20728	0.4
98.98465	3.5
104.10734	2.7
107.08585	0.2
109.10203	0.3
117.07021	0.2
119.08580	0.2
125.00008	21.6
133.10144	0.3
143.01083	0.3
166.02611	0.3
184.07347	100.0
185.07687	0.8
229.11205	0.2
257.77304	0.2
335.25797	0.2
434.46866	0.2
655.38599	0.2
776.51416	0.2
794.53180	2.5
795.52576	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	792.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05267	1.2
55.05519	21.2
57.03440	14.6
57.07076	4.3
59.20689	1.1
61.02915	4.3
65.03931	4.1
67.05510	80.2
69.03413	2.2
69.07076	19.4
70.83760	2.4
71.04988	3.1
77.03899	1.0
79.05501	56.3
81.07063	74.3
83.04980	2.8
83.08622	8.4
85.02892	2.3
85.06531	2.2
91.03970	1.7
91.05488	33.6
93.07052	60.2
95.04951	4.5
95.08613	56.7
97.02883	1.9
97.06532	4.2
97.10168	3.3
103.05470	1.1
105.07034	24.6
107.08604	31.1
109.06534	1.9
109.10160	23.4
111.08055	1.6
117.07034	7.0
119.07799	1.8
119.08592	24.7
121.09316	1.8
121.10158	25.3
123.11707	8.4
125.09644	1.4
129.07019	1.9
131.08586	14.6
133.10146	16.9
135.11707	17.7
137.09616	1.8
137.13254	3.3
143.08572	3.0
145.10120	13.5
147.11697	13.5
149.13289	12.2
149.20052	1.1
150.17545	1.2
151.11110	2.0
151.14806	1.4
157.10092	2.0
159.11699	9.1
161.13313	7.3
163.14853	4.4
171.11702	1.4
173.13304	8.7
175.14809	4.2
175.78056	1.0
177.16425	2.1
185.13295	2.6
187.14822	3.5
199.14796	1.8
201.16469	1.5
212.67216	1.0
219.30188	1.0
233.22589	1.6
241.19589	3.2
243.21164	5.8
245.22775	1.5
259.20657	8.5
261.22192	22.5
263.23685	3.1
292.77271	1.1
315.23203	1.5
317.24710	4.0
333.24237	6.9
335.25815	100.0
336.26169	3.4
337.27341	9.6
388.89606	1.0
521.44208	1.5
595.47235	14.1
613.48291	12.0
655.69092	1.3
661.08557	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	792.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.6
57.03450	8.8
62.01497	6.9
67.05216	7.4
67.05511	78.6
69.07071	23.7
70.94997	8.2
70.95330	14.1
79.05489	28.1
81.07069	81.5
83.04985	7.3
83.08621	6.2
85.07700	7.4
91.05468	31.9
92.01936	5.5
93.07050	59.9
95.08617	63.2
105.07039	24.1
106.23866	6.1
107.08582	23.9
109.10181	32.9
109.13850	6.3
117.06979	11.6
119.08595	24.0
121.10131	35.7
123.11703	6.2
131.08633	10.3
133.10170	32.0
135.11685	15.2
136.20192	6.8
145.10135	12.5
147.11716	12.3
149.13301	9.9
153.81584	6.0
159.11688	14.2
175.14935	8.0
182.91771	7.9
184.07372	14.4
261.22189	23.3
294.79221	7.3
307.22617	25.0
335.25879	100.0
337.27274	13.3
368.76181	6.4
595.47406	10.6
622.17328	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	791.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.6
67.87564	1.5
70.03562	1.4
71.01008	1.5
71.03504	3.5
79.05537	1.9
91.05475	1.9
94.06568	2.9
94.07475	1.4
102.19920	1.6
103.05484	1.7
108.08123	4.6
120.04501	1.8
120.08111	9.4
122.06049	5.0
122.09660	2.9
124.02917	1.9
124.07621	1.8
134.06096	2.2
136.07552	7.9
144.04451	3.7
146.06026	2.9
148.07590	19.0
149.08342	1.7
150.09166	5.4
152.07108	3.5
162.05513	3.7
162.09196	3.4
163.03941	5.1
164.07130	4.8
164.10750	6.4
166.08675	3.2
172.03970	12.5
178.06773	1.4
178.08644	1.9
180.10217	10.8
182.04527	2.1
190.05014	7.6
194.08080	1.8
204.06549	8.6
208.09694	13.0
210.07425	1.6
211.08664	2.0
211.12128	1.5
223.08516	1.7
224.12816	2.6
225.10181	3.3
226.10966	2.4
227.11656	1.7
232.29376	1.6
235.08794	3.7
236.09372	2.2
237.10287	4.3
238.11208	1.6
239.08029	2.4
239.11882	2.7
240.17551	1.7
249.10240	7.5
250.10982	2.0
251.08086	3.4
251.11786	4.3
251.90163	1.4
253.09627	2.8
255.11325	1.7
263.08185	3.4
264.09042	2.2
265.09714	9.2
265.13513	1.6
266.10449	3.2
267.07675	3.2
267.11176	3.9
269.09189	1.5
269.12842	4.8
277.09821	5.7
278.10416	3.7
279.11307	5.7
281.09283	2.9
281.12827	2.8
291.07700	4.2
293.09271	5.5
295.10867	3.7
297.12244	4.1
305.09189	1.9
307.10748	3.6
308.07892	1.7
309.08777	10.0
311.10443	3.0
321.12369	3.3
323.10336	17.2
324.11148	1.9
325.11847	3.0
328.14594	2.0
329.15134	4.0
330.15918	1.8
333.08929	2.4
337.11816	2.6
338.12677	2.0
339.09808	2.0
339.13409	3.7
351.09756	5.0
353.15039	3.4
354.11963	2.2
354.16016	2.7
355.13016	2.6
367.13022	2.3
369.14563	2.1
370.15509	2.3
373.99683	1.9
381.14487	5.6
382.15430	4.7
383.12238	3.2
384.17181	2.2
396.13638	2.3
412.16635	2.5
413.17261	4.6
415.15164	3.0
425.13199	2.5
426.14252	2.6
428.16208	3.9
430.17825	2.2
438.14069	2.1
442.17706	4.3
444.15619	3.0
456.15195	3.1
457.16278	3.4
458.17252	5.8
476.18561	2.6
486.16650	2.6
490.19882	2.8
500.18350	4.3
501.18542	2.0
504.17749	1.8
518.19116	6.0
519.19604	2.0
532.20575	4.4
560.20490	9.1
578.21033	1.6
590.17438	3.5
592.22986	10.2
604.18921	7.4
622.20477	9.9
624.25397	2.4
636.21893	100.0
637.21973	6.5
641.25653	5.9
654.23120	7.1
668.24554	49.7
669.25159	3.8
683.26483	4.7
695.23175	3.0
709.24524	2.2
727.26147	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	790.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	20.3
57.03442	12.0
61.02950	3.6
67.05512	73.2
69.07063	18.9
69.88396	4.5
70.66205	9.0
70.66517	4.5
79.05502	61.4
81.07061	76.0
83.08617	12.7
85.06541	5.4
86.09699	9.4
89.23951	4.0
91.05496	37.3
93.07058	65.9
95.04999	6.3
95.08610	56.8
97.04097	3.8
97.06526	4.8
97.10170	5.4
105.07039	21.7
107.08591	37.3
109.10159	29.9
111.08086	5.0
117.07027	10.2
119.08601	19.5
121.10146	35.6
123.11712	13.2
124.99947	4.2
129.85732	3.5
131.08551	18.9
133.10132	29.3
135.11691	33.0
137.13292	6.3
145.10181	19.5
147.10564	3.6
147.11699	21.8
149.13231	20.8
157.10197	4.2
158.37993	4.4
159.11685	11.0
161.13258	9.3
171.11635	7.2
173.13271	9.8
175.14810	5.7
177.11185	4.0
184.07394	17.7
187.14848	6.4
213.16408	5.6
215.17955	25.3
231.17447	9.7
233.18999	14.1
259.20596	6.0
261.22217	17.2
307.22736	100.0
309.24185	7.8
335.25830	87.8
337.27423	5.7
567.44232	24.1
585.45020	17.5
629.36127	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	790.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	22.1
55.05268	2.9
55.05516	44.0
56.99871	2.6
57.03444	27.9
57.07065	4.5
59.04993	3.1
61.02927	6.3
65.03931	9.0
67.05508	100.0
69.03439	14.5
69.07073	51.4
70.15202	5.7
70.15613	10.3
71.01326	7.0
71.04987	10.7
73.02928	3.7
79.05497	86.1
81.02979	5.4
81.03426	73.8
81.07065	92.9
83.04994	30.7
83.08620	34.3
84.35664	2.9
85.02910	23.0
85.06552	5.4
91.05487	92.5
93.07053	67.5
95.04982	36.7
95.08611	52.6
97.02882	12.6
97.06542	25.3
97.10184	15.0
98.20924	4.2
99.08097	3.8
105.06379	5.2
105.07039	65.6
107.04961	20.7
107.08606	44.7
109.06509	10.2
109.10147	37.8
111.04475	7.2
111.08066	13.6
116.04693	5.4
117.07017	21.7
119.07777	5.4
119.08581	63.2
121.06503	5.5
121.10152	24.8
123.08054	11.7
123.11697	5.3
125.09637	14.0
127.03889	3.3
128.06255	3.8
129.05479	6.3
129.07002	18.3
130.07779	3.0
131.08568	35.7
133.06502	4.9
133.10123	38.2
135.08046	4.9
135.11702	20.1
137.09592	13.6
143.08511	8.8
145.10121	20.4
147.08031	8.1
147.11699	30.4
149.09633	20.8
149.13213	5.9
151.11174	6.6
155.08492	3.5
157.10152	20.6
159.11734	16.0
161.09648	5.3
161.13239	5.0
163.11140	15.7
165.12712	6.2
165.87283	3.4
169.10118	5.2
171.11676	7.6
173.11757	7.8
173.13211	4.2
175.11261	15.4
177.12729	4.5
183.11769	3.9
184.07336	8.4
185.13257	5.3
193.12244	46.6
194.12515	3.7
195.13829	3.8
211.13293	45.0
225.11288	4.3
227.12807	13.5
229.14355	9.6
241.19438	6.5
255.15846	6.1
257.18976	9.9
259.20639	17.6
267.15945	20.3
269.17651	6.3
273.18622	3.5
275.20111	34.8
283.15469	4.4
285.17047	29.1
291.19479	8.7
293.21176	6.3
299.14871	17.1
301.16486	16.3
331.22638	5.5
333.24109	8.9
349.23749	38.5
365.23212	8.2
439.26895	11.4
477.28470	6.0
495.29529	7.0
498.44312	3.3
529.64636	3.3
541.35107	8.8
557.34619	9.5
559.36139	23.0
575.35699	12.2
791.40985	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	789.514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.9
55.05519	19.4
56.12508	2.1
57.03437	14.4
57.07060	2.1
57.37935	2.1
65.03910	2.5
67.05172	3.6
67.05508	58.2
69.07067	24.7
71.59138	2.6
71.59479	2.2
78.52196	1.9
79.05502	48.6
81.03438	5.1
81.07063	63.0
83.04982	3.6
83.08614	7.7
85.06538	4.0
90.61264	2.8
91.05477	60.2
92.89296	2.1
93.07046	53.2
95.04951	7.2
95.08609	43.2
97.06552	11.1
97.10131	3.3
99.08101	3.1
105.06388	3.5
105.07034	55.7
107.04954	12.3
107.08598	24.5
108.60012	2.2
109.06516	5.5
109.10154	15.2
117.07027	19.8
119.08591	31.9
121.10162	17.9
123.04471	2.7
123.08018	3.1
129.07010	5.4
131.08578	23.4
133.10129	27.4
135.07999	3.4
135.11685	8.7
137.09566	3.0
143.08542	2.5
145.10162	17.1
147.11699	10.4
149.09645	2.9
159.11691	10.0
161.13274	4.2
164.67761	2.5
168.08420	2.1
173.13205	3.4
179.14287	5.2
184.07312	7.9
185.13171	2.4
201.16258	3.9
203.14450	3.0
219.17458	100.0
260.12442	2.3
275.20053	46.5
293.21164	4.1
335.25818	76.7
349.23727	19.5
606.34351	2.4
609.45135	98.0
610.44775	4.7
796.35638	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	788.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.0
57.07051	0.2
58.06610	0.4
60.07872	0.5
60.08168	6.6
61.02937	0.2
67.05528	0.4
70.19063	0.9
71.07024	0.3
71.07382	3.6
71.08610	0.2
81.07078	0.3
86.09711	33.2
91.05516	0.2
93.07064	0.3
95.08624	0.3
98.98477	3.7
102.46577	0.2
104.10754	2.7
125.00013	21.7
136.06213	0.4
153.56786	0.3
184.07353	100.0
185.07668	0.8
205.13773	0.3
237.30107	0.2
239.71628	0.3
320.72610	0.2
690.46716	0.6
770.53326	0.6
788.54230	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	789.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	11.1
55.05524	30.0
57.03426	20.7
57.07077	7.7
65.03936	6.1
67.05181	5.5
67.05513	85.0
68.88390	3.8
69.03452	5.9
69.05396	4.2
69.07059	19.6
71.60030	6.5
79.05064	5.0
79.05498	71.1
81.03414	15.6
81.07066	100.0
83.04969	15.1
83.08607	14.8
83.24973	4.7
85.02898	6.7
86.09703	15.8
91.05488	66.9
93.07053	72.1
95.04956	11.1
95.08140	4.9
95.08624	55.9
97.06536	11.1
99.04446	5.1
105.07047	49.4
107.04971	9.5
107.08611	43.2
109.06516	12.0
109.10178	25.7
117.07005	20.9
119.08583	37.5
121.06508	5.2
121.10150	28.9
123.08107	5.8
123.11705	7.6
125.00033	7.2
125.39453	4.3
129.07024	6.6
131.08598	37.6
133.10144	26.8
135.11668	13.8
143.08549	5.5
145.10121	17.3
147.11662	20.2
149.09612	13.2
149.13243	9.8
159.11739	22.1
161.13184	5.2
173.13266	11.9
177.12733	7.0
184.07375	42.5
185.07671	7.6
219.17482	62.8
261.22009	6.4
275.20139	50.7
302.56937	5.2
335.25879	92.8
349.23578	30.3
383.22604	5.1
391.77676	4.7
529.38715	12.3
609.45105	72.6
627.46149	7.5
673.92816	5.2
788.59833	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	787.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	12.6
55.05302	2.6
55.05518	30.4
56.88009	2.2
57.03438	12.1
57.07072	3.8
61.02932	20.0
65.03939	8.0
66.28883	2.5
67.05509	73.1
69.03448	16.7
69.06786	2.4
69.07072	27.5
71.04990	5.3
71.22643	3.2
71.22975	3.3
73.02907	7.2
77.95370	2.7
79.05062	3.2
79.05499	52.4
81.03409	18.6
81.07065	67.6
83.04980	8.0
83.08624	18.0
85.02904	15.3
85.06553	6.0
91.03957	6.4
91.05487	54.3
93.07053	52.3
95.04957	13.1
95.08614	49.8
97.02914	16.4
97.06528	16.3
97.10156	13.6
99.04478	2.5
105.07038	45.7
107.04946	6.0
107.08608	34.7
109.02874	5.8
109.06522	11.4
109.10165	26.3
111.08072	5.1
115.05447	5.3
117.07020	30.1
119.08591	37.5
121.02874	2.5
121.10148	21.7
123.08073	5.0
123.11688	9.0
125.09634	7.6
127.03911	4.0
128.06190	6.1
128.66191	2.2
129.07004	22.8
131.08598	32.3
133.06520	3.4
133.10139	30.2
135.08012	4.1
135.11707	13.7
137.09627	4.9
141.06992	7.1
142.07784	6.3
143.08557	18.7
145.10118	26.0
147.11705	20.0
149.02362	41.1
149.03502	4.9
149.09618	8.0
150.02655	9.3
151.11201	2.8
154.07761	2.8
155.08559	16.2
156.09239	3.8
157.10124	22.4
159.11717	23.2
161.09599	3.9
161.13277	8.9
163.11211	5.8
165.07147	2.9
167.08548	7.8
169.10201	18.7
171.11705	24.9
173.04445	3.8
173.09554	3.0
173.13258	14.2
175.11226	3.7
175.14807	3.4
179.08548	3.3
181.10130	9.5
183.11714	16.4
184.07423	2.5
185.13258	13.5
187.11086	2.7
187.14836	4.9
189.11272	3.2
193.04985	42.1
193.10167	2.8
194.05374	14.8
195.11697	10.3
197.09688	3.1
197.13284	14.3
199.14864	6.7
201.12708	4.0
201.16359	3.2
207.11693	4.9
209.13240	6.7
211.14845	9.4
213.12839	2.8
213.16327	6.7
213.63925	2.2
217.15842	2.6
223.14812	6.5
225.16444	5.6
227.12753	9.1
227.20253	2.9
228.20609	2.5
229.14310	5.6
237.16420	4.4
239.17984	5.6
241.19551	3.6
249.16588	3.0
251.17979	3.5
257.19025	3.9
258.95282	2.5
259.20493	11.2
261.21979	3.2
273.18500	5.0
275.20148	14.5
291.19513	3.5
311.23779	2.9
333.24139	5.2
335.25815	5.3
339.22916	2.7
347.21967	3.0
349.23758	4.6
365.28247	3.9
379.30106	5.3
421.30820	3.1
427.45050	2.9
438.21289	2.7
511.37433	2.7
513.35858	26.8
515.38776	3.6
527.37256	4.5
533.39850	4.3
589.42145	4.0
607.43579	46.3
608.43658	3.0
625.44653	100.0
626.44690	5.2
689.41943	4.4
751.48059	3.6
769.48877	3.8
770.17572	12.6
784.14081	2.6
787.49377	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	787.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	23.2
55.05526	33.3
57.03435	15.6
57.07076	6.1
57.22118	4.1
61.50230	3.5
62.38153	3.8
67.05171	5.6
67.05513	89.8
67.05863	6.7
69.03435	6.8
69.07072	42.6
71.04971	6.7
71.20950	5.8
79.05499	76.4
79.56102	3.5
81.03410	15.7
81.07064	85.6
83.04965	9.6
83.08614	15.1
85.02908	8.2
85.06533	8.1
91.04964	6.2
91.05488	84.5
93.07055	69.9
95.01312	6.1
95.04967	17.6
95.08613	59.8
97.06537	33.1
105.06385	6.6
105.07040	100.0
106.07349	4.9
107.04967	21.4
107.08608	35.9
109.06507	12.9
109.10166	30.6
110.10490	4.8
111.08096	6.0
115.05481	3.5
117.07019	31.6
119.08595	68.9
119.09417	3.7
121.06467	5.8
121.10155	26.1
123.08053	6.3
125.09628	3.8
128.06190	4.4
129.06979	11.1
131.08604	41.2
133.06461	4.8
133.10149	53.8
135.11743	19.5
137.09615	7.4
141.06940	5.3
143.08575	15.3
145.10136	35.0
147.08026	5.8
147.11716	30.9
149.09578	9.1
149.13274	12.2
151.11180	4.2
155.08582	8.2
156.56517	3.8
157.10164	10.7
159.11720	24.2
161.13281	16.7
163.11186	7.4
163.14809	4.8
167.08528	4.7
169.10110	10.0
171.11760	9.3
173.11896	6.4
173.13193	19.5
175.11195	3.9
175.14801	6.6
177.12823	4.5
179.14333	7.2
181.10057	4.8
183.11757	4.5
183.35074	3.5
185.13255	8.5
187.11240	5.6
187.14934	4.3
197.13348	4.7
199.14842	5.7
201.12646	4.2
211.14838	4.2
215.00745	3.8
229.14247	23.6
230.14668	8.2
231.21146	4.1
241.19498	12.2
257.18988	7.1
259.20578	22.5
261.21857	4.8
273.18527	8.8
275.17285	6.5
275.20087	64.4
297.16971	6.0
298.17633	5.2
315.23254	7.1
333.24298	39.4
335.25964	22.5
336.26144	16.6
340.13165	3.8
347.21951	4.5
349.23758	33.4
489.35541	4.8
490.35849	13.0
511.37766	5.2
551.40607	4.9
607.43518	50.3
625.44452	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	787.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	22.7
55.05515	26.9
57.03443	15.2
65.03970	6.0
66.35934	2.7
67.05511	91.7
68.05833	3.7
69.03421	6.2
69.07076	46.6
71.04997	5.8
71.33024	6.5
79.05496	66.2
81.03421	13.7
81.07064	78.6
83.04993	12.9
83.08633	16.6
85.02924	5.8
85.06538	6.1
88.16954	3.1
91.05490	89.1
93.07054	66.1
95.01327	7.4
95.04973	17.0
95.08614	59.0
97.02885	9.3
97.06543	38.0
99.08093	5.1
105.07036	100.0
107.04966	23.2
107.08607	36.6
109.06544	8.8
109.10162	28.7
111.08058	6.3
115.05429	4.3
117.07021	22.5
119.08595	60.2
121.06529	8.2
121.10162	20.6
123.08077	4.6
123.11721	5.7
125.09624	3.6
129.07001	12.6
131.08582	39.8
133.06514	3.9
133.10147	53.3
135.08051	5.1
135.11710	19.5
137.09595	4.8
137.13174	4.0
141.07027	4.5
142.07832	3.6
143.08553	12.8
145.06529	3.3
145.10144	31.2
145.80995	3.1
147.11681	27.3
149.09615	11.5
149.13293	9.6
155.08603	7.7
157.10120	11.6
159.08043	4.4
159.11707	23.1
161.09619	3.1
161.13275	19.5
163.11235	5.8
171.11667	10.6
173.11826	6.8
173.13275	9.9
175.11263	3.3
175.14886	5.8
177.12804	6.0
179.14252	8.0
183.11690	6.8
184.07434	3.4
185.13283	5.5
187.11194	6.2
197.13135	4.6
199.14882	6.0
201.16342	4.3
219.17548	3.8
229.14392	18.9
230.14632	5.9
241.19514	16.2
257.18961	6.8
259.20728	21.4
261.22168	4.7
273.18536	5.4
275.20087	62.7
297.16995	5.7
315.23190	9.9
333.24252	35.1
335.25870	15.6
336.26181	12.9
349.23825	33.4
411.79294	3.3
490.36053	9.5
607.43573	56.2
625.44897	21.4
787.49664	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	787.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	31.3
55.05512	38.2
56.92729	3.3
57.03448	14.9
57.07083	7.2
61.02931	6.2
62.89170	2.9
65.03952	7.1
67.05169	6.6
67.05509	86.7
69.03437	18.7
69.07076	50.8
69.32870	16.9
69.33286	10.7
70.83706	3.3
71.04998	14.1
73.02927	5.1
78.48326	3.1
79.05499	87.2
80.05817	3.5
81.03418	51.8
81.07061	100.0
83.05003	15.1
83.08626	21.0
85.02892	15.3
85.06563	6.0
91.05486	89.7
93.06471	4.9
93.07052	80.7
95.01331	5.3
95.04985	17.9
95.08612	66.7
95.09167	5.6
97.02898	16.1
97.06544	35.2
97.10183	6.9
99.04477	6.6
99.08042	4.5
103.05506	3.9
105.07037	95.7
107.04954	15.3
107.08607	42.0
109.02896	4.5
109.06530	13.4
109.10152	28.3
109.77708	3.2
111.04419	4.4
111.08126	5.7
111.51871	3.1
115.05462	4.3
117.07029	40.4
119.08583	72.1
121.06521	9.2
121.10136	26.6
123.04401	5.1
123.08074	7.1
123.11714	6.6
125.09660	8.7
127.03951	10.1
128.06227	8.0
129.07007	22.2
131.08568	53.7
133.06514	5.5
133.10139	53.2
135.08083	10.8
135.11755	18.7
137.09647	7.4
141.07002	8.4
142.07800	5.5
143.08585	23.4
145.06448	4.4
145.10135	37.9
145.42654	3.3
147.11702	36.9
149.09625	10.1
149.13284	8.8
151.11215	6.8
155.08546	10.1
156.09293	3.3
157.10162	23.8
159.08058	3.9
159.11699	28.6
161.09657	5.9
161.13255	17.4
163.11203	5.9
165.12759	6.5
167.08539	7.8
169.10175	11.9
171.08020	5.3
171.11740	21.4
173.04488	11.8
173.13271	17.1
175.14867	8.8
179.08537	3.8
179.14314	7.1
181.10150	9.1
183.11717	14.5
185.09612	3.5
185.13316	18.1
187.14877	6.8
189.12860	5.5
195.11717	6.1
197.13318	11.1
199.14859	8.5
201.12706	4.0
209.13293	6.5
211.14893	7.1
215.17834	3.0
221.13324	3.6
223.14876	5.7
225.16301	3.2
237.16504	4.0
241.19571	14.0
247.20540	3.6
257.19043	9.9
259.20529	19.5
261.22214	5.3
262.46835	3.7
267.16061	4.8
269.17596	4.4
273.18811	4.1
275.20120	45.6
293.21246	4.0
315.23251	6.9
333.24222	31.9
335.25891	10.9
344.56381	3.7
349.23868	23.6
403.55902	3.0
450.18814	3.8
513.35748	9.4
515.37537	4.0
527.37341	19.3
533.39813	6.8
551.41040	6.6
597.45715	3.5
607.43634	53.2
625.44647	45.6
659.41907	4.2
671.41492	4.8
689.42358	13.0
769.46796	4.6
787.49390	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	785.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.0
56.31279	0.7
57.03434	3.0
61.02930	7.3
67.05515	6.4
69.03438	4.4
69.07059	2.3
71.59397	0.9
73.02914	4.1
74.68840	0.7
79.05487	5.4
81.03428	3.1
81.07056	6.8
83.04945	0.8
83.08604	1.5
85.02919	7.0
86.09721	1.7
91.03956	3.3
91.05482	4.1
93.07047	6.8
95.05012	1.2
95.08640	3.5
97.02902	6.1
97.10312	0.8
99.04472	1.1
101.02382	2.6
105.07050	2.4
107.08613	2.8
109.02912	0.9
109.10164	2.1
117.07092	1.0
119.08592	2.8
121.10176	2.3
124.99995	1.0
127.03965	2.2
131.08580	0.8
133.10153	2.0
135.11754	1.4
145.10101	1.2
146.85240	0.7
147.11710	1.1
155.97255	0.7
159.11697	0.8
184.07347	5.0
185.04193	1.4
218.53046	0.7
243.08456	2.6
301.08945	1.0
307.22964	1.0
317.20901	1.1
373.11200	0.8
491.26138	12.2
535.29156	3.7
785.48090	100.0
786.48486	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	784.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.3
57.03439	4.9
61.02918	2.1
65.03943	3.2
67.05507	9.8
69.03432	8.2
69.07072	7.7
71.59060	2.7
74.89864	1.6
77.44373	1.8
79.05497	11.2
81.03423	4.8
81.07055	27.9
83.04986	19.0
83.08627	2.5
85.02911	23.8
85.06512	1.9
87.00847	3.8
91.05483	23.1
93.07046	28.3
95.04999	8.8
95.08615	34.0
97.02895	8.1
97.06523	9.6
105.07034	47.2
107.08588	33.8
109.02901	2.9
109.06520	5.3
109.10152	16.5
111.08105	4.0
115.07569	7.2
117.07018	9.8
119.08588	64.5
120.08977	1.9
121.06509	5.7
121.10149	22.6
123.08089	7.8
123.11718	5.9
125.09622	7.9
127.03926	3.2
127.80671	1.7
128.06215	2.7
129.07025	6.6
130.07787	3.6
131.08572	40.3
133.06537	2.1
133.10135	35.9
135.08032	9.1
135.11696	9.6
137.09627	4.8
141.06956	4.4
142.07822	6.2
143.08577	27.0
144.09351	4.1
145.02831	2.3
145.04967	3.0
145.10129	60.6
147.04445	2.7
147.08037	4.7
147.11699	36.4
149.09622	6.8
149.13278	11.7
155.08585	18.0
156.09355	8.8
157.10132	41.6
158.10959	4.2
159.08067	3.8
159.11699	46.2
161.09637	6.8
161.13261	21.2
163.03972	2.7
163.07446	1.9
163.11169	3.9
163.14868	4.1
165.09096	2.4
167.08482	4.1
168.09332	4.1
169.10156	19.8
170.10884	5.2
171.11710	31.9
172.83961	2.1
173.09717	4.1
173.13271	46.0
175.11255	9.1
175.14842	14.5
177.05486	4.4
177.12791	2.3
177.16367	8.2
181.10182	8.2
182.10928	5.3
183.11717	28.4
184.12541	2.3
185.09729	2.6
185.13280	29.6
187.11186	6.5
187.14851	32.8
189.12741	15.5
189.16460	7.4
191.08557	1.8
191.14351	6.2
193.10149	2.3
193.15894	1.8
195.11671	8.9
197.13290	33.7
199.11177	18.7
199.14813	26.9
200.15062	2.0
201.07495	1.8
201.12711	16.8
201.16400	7.2
203.14308	10.8
205.15895	21.8
207.11673	5.3
207.13506	1.9
209.13260	7.7
211.14828	9.9
213.12758	6.3
213.16289	10.6
214.16861	2.2
215.14351	13.9
215.17915	3.2
217.12291	9.0
217.15886	8.3
221.13388	3.8
221.15393	7.5
223.14839	7.4
225.12827	3.5
225.16399	6.0
227.14272	2.6
227.17886	4.1
229.15894	2.7
231.13841	7.3
231.17354	3.7
233.15405	2.4
235.13208	5.4
239.18048	2.0
241.15808	2.4
243.13885	5.9
245.11761	5.4
247.13017	3.7
251.17932	3.4
255.17494	2.5
261.14902	4.3
267.17542	2.2
319.15491	6.8
339.14297	10.5
349.12839	23.8
365.16022	6.2
377.15909	2.5
383.26816	3.4
385.28311	2.0
391.17502	6.1
401.28607	13.7
403.29919	5.7
407.25577	3.6
417.28079	2.2
419.29462	17.5
421.31036	2.4
429.27747	4.4
435.28946	2.6
437.30429	12.4
447.29028	26.0
453.29330	1.8
455.31750	3.0
465.30121	31.9
466.30231	2.0
483.31226	4.4
487.27115	2.1
505.29587	3.8
511.26953	6.6
523.30579	13.4
539.30200	4.2
541.31439	6.6
551.29895	19.6
569.31128	100.0
570.31207	3.9
587.31964	6.8
637.90344	2.1
805.00000	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	783.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	5.0
69.42896	4.4
71.59840	6.8
71.60250	6.9
85.02938	8.6
91.05470	6.8
107.08596	5.3
123.04505	6.5
127.72446	4.6
131.04993	6.3
135.04356	6.5
148.90802	4.8
156.13254	4.9
163.03883	23.8
218.07896	20.3
228.04741	5.6
237.09930	5.2
251.11763	7.5
272.03619	5.3
293.12787	5.8
309.12360	5.8
317.09055	6.6
331.87488	5.0
339.13376	16.0
341.14941	9.2
361.07724	6.7
361.11713	6.4
389.11069	10.2
466.17203	9.1
480.15067	8.4
482.16891	7.1
484.18774	7.1
508.18283	7.0
509.18326	7.1
514.18457	5.7
524.17529	43.5
525.19006	5.6
526.19348	7.6
528.17859	5.8
540.21057	11.2
542.18823	9.0
552.17773	9.5
553.17578	6.8
556.19928	12.1
570.18298	13.6
584.20135	71.0
585.20721	20.4
586.21606	12.0
587.22888	5.4
597.17133	13.8
615.21216	6.8
616.22382	14.8
628.19104	56.0
629.19562	21.1
630.20233	7.1
631.24719	9.4
633.22839	18.0
647.24036	17.3
660.21179	19.7
665.25592	16.0
675.24231	64.5
679.26276	11.1
707.26880	35.9
719.23352	100.0
720.23169	12.1
751.25977	83.2
752.26788	9.5
773.24933	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	783.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	5.0
69.42896	4.4
71.59840	6.8
71.60250	6.9
85.02938	8.6
91.05470	6.8
107.08596	5.3
123.04505	6.5
127.72446	4.6
131.04993	6.3
135.04356	6.5
148.90802	4.8
156.13254	4.9
163.03883	23.8
218.07896	20.3
228.04741	5.6
237.09930	5.2
251.11763	7.5
272.03619	5.3
293.12787	5.8
309.12360	5.8
317.09055	6.6
331.87488	5.0
339.13376	16.0
341.14941	9.2
361.07724	6.7
361.11713	6.4
389.11069	10.2
466.17203	9.1
480.15067	8.4
482.16891	7.1
484.18774	7.1
508.18283	7.0
509.18326	7.1
514.18457	5.7
524.17529	43.5
525.19006	5.6
526.19348	7.6
528.17859	5.8
540.21057	11.2
542.18823	9.0
552.17773	9.5
553.17578	6.8
556.19928	12.1
570.18298	13.6
584.20135	71.0
585.20721	20.4
586.21606	12.0
587.22888	5.4
597.17133	13.8
615.21216	6.8
616.22382	14.8
628.19104	56.0
629.19562	21.1
630.20233	7.1
631.24719	9.4
633.22839	18.0
647.24036	17.3
660.21179	19.7
665.25592	16.0
675.24231	64.5
679.26276	11.1
707.26880	35.9
719.23352	100.0
720.23169	12.1
751.25977	83.2
752.26788	9.5
773.24933	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	781.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05511	1.8
56.70124	0.4
57.03451	2.0
57.07056	0.4
59.04995	1.0
61.02933	5.2
67.05511	6.5
69.03439	3.3
69.07075	2.0
71.01367	0.9
71.05000	1.1
71.59430	0.6
73.02923	4.6
79.05500	2.6
81.03429	3.1
81.07059	5.2
83.05045	0.5
83.08627	1.2
85.02911	5.4
86.09725	0.8
91.03982	3.2
91.05482	2.3
93.07062	2.8
95.04977	1.4
95.08611	3.7
97.02895	4.4
97.06562	0.7
97.10181	0.9
98.98494	0.4
99.04448	0.5
101.02392	1.1
103.03928	0.5
105.07056	1.9
107.08619	1.8
109.02910	1.0
109.06574	0.6
109.10193	1.7
111.08094	0.8
119.08598	1.3
121.10155	1.8
123.11741	0.8
125.00016	0.5
127.03955	1.6
129.07008	0.7
131.08626	1.2
133.10167	1.2
134.85712	0.4
147.11746	1.1
149.09665	0.9
149.13319	0.4
157.10143	0.7
175.11290	0.6
184.07399	2.9
185.04251	0.7
193.12418	0.6
227.12823	0.4
243.08466	2.3
283.15189	4.5
337.79288	0.4
339.18118	0.5
340.29688	0.6
501.23053	8.1
521.30908	6.0
521.38049	0.4
781.47125	100.0
782.47229	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	780.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	21.4
57.03423	10.3
57.07095	2.6
60.08157	7.6
61.02915	3.8
67.05514	59.1
69.07073	12.4
71.07348	4.4
79.05061	4.0
79.05501	78.9
81.03442	5.3
81.07064	53.2
83.08626	10.0
85.06544	3.6
86.09723	31.3
87.10072	3.7
91.04965	4.1
91.05494	58.0
93.07050	73.5
95.04964	7.6
95.08613	40.9
97.06520	2.8
98.98498	6.5
99.08117	3.0
105.07040	46.2
107.08606	24.9
109.10155	15.7
111.08109	3.4
115.93639	3.1
117.07014	15.8
119.08588	38.9
121.10155	25.2
123.11681	6.6
125.00018	28.1
125.09630	2.9
129.07007	8.1
131.08574	24.1
133.10147	36.8
135.11699	19.3
136.08682	2.7
143.08545	8.3
145.10138	20.4
147.11693	26.4
149.13292	14.8
157.10149	10.8
159.11691	17.2
161.13252	14.7
163.11157	4.1
163.14839	3.9
171.11717	12.4
173.13295	10.5
175.14886	4.9
184.05754	6.5
184.07356	100.0
185.07726	6.9
185.13251	5.4
187.14850	5.3
199.14845	4.8
213.16368	12.1
215.17976	5.2
231.17351	6.7
232.02214	2.9
233.19083	3.7
239.17703	2.9
241.19560	15.4
257.18994	4.7
259.20602	22.6
305.21042	5.6
307.22659	52.3
315.23380	3.3
333.24335	31.0
335.25711	5.5
338.25394	2.6
341.30359	3.1
343.03415	2.8
348.57220	2.9
374.63422	3.0
583.43616	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05522	9.5
57.03426	6.0
57.07067	4.4
60.08155	6.3
61.02906	1.4
67.05170	2.2
67.05509	35.4
69.07067	8.5
70.99240	3.9
71.05001	2.0
71.07368	2.7
72.53306	1.5
79.05498	31.9
81.03402	1.6
81.07062	28.4
83.04996	1.7
83.08619	4.6
85.06564	2.1
86.09206	2.4
86.09713	33.5
86.25951	1.4
91.05483	40.8
93.07049	30.1
95.04952	3.3
95.08614	24.8
97.02869	1.6
97.06534	3.2
97.10165	1.5
98.02378	1.5
98.98467	5.6
104.10816	1.5
105.07042	35.3
107.08609	18.7
109.10148	7.3
111.08092	2.5
117.07019	10.7
119.08581	27.3
121.10157	14.8
123.11722	2.9
125.00017	22.8
128.06204	2.2
129.07025	13.6
131.08594	12.6
133.10139	34.3
135.07999	2.3
135.11716	8.3
143.08603	8.0
145.10127	15.0
147.08002	1.8
147.11699	25.4
149.13278	3.0
157.10139	11.5
159.11638	7.6
161.13260	4.9
163.11217	2.0
169.10153	2.9
171.11713	14.3
173.13228	5.6
175.11333	1.6
175.14857	2.4
183.11708	2.1
184.07353	100.0
185.07635	2.7
185.13354	2.5
187.14841	3.9
189.16377	3.2
197.13373	1.9
203.17957	6.5
213.16368	22.2
215.18056	3.9
224.01741	1.4
229.15988	2.5
231.17455	31.0
257.19159	1.8
259.20511	2.2
261.22159	1.5
305.21100	11.4
307.22623	4.3
333.24216	3.1
335.25854	24.0
491.39374	1.8
516.55634	1.4
565.42468	2.9
583.43463	18.4
691.72461	1.5
780.52618	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	780.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.5
57.03448	10.9
57.07079	3.4
58.72839	2.5
60.08161	4.6
65.03944	2.0
67.05183	2.7
67.05515	47.0
69.07082	11.5
71.07368	4.7
73.20978	1.9
79.05505	42.7
81.06643	3.4
81.07069	42.8
83.04990	3.4
83.08611	6.7
85.02917	2.9
85.06520	3.6
86.09711	25.2
91.05488	29.8
93.07046	48.3
95.04957	5.3
95.08614	33.0
97.02847	2.6
97.06522	3.0
98.98434	3.3
105.07053	25.5
107.08604	21.4
109.06483	2.8
109.10150	13.9
117.07000	8.7
119.08590	21.9
121.10156	25.0
123.11720	4.8
125.00013	22.8
129.06976	3.0
131.08557	10.1
133.10120	15.2
135.11708	16.3
135.40889	2.4
140.19878	2.0
143.08540	6.3
145.04842	2.6
145.10147	17.5
147.11690	12.7
149.13252	6.0
157.10103	3.5
159.11697	9.0
161.13231	7.2
168.10924	2.0
171.11710	5.0
173.13268	8.1
184.07358	100.0
185.07658	4.3
185.13286	3.2
187.14821	5.4
205.15961	3.3
213.16437	4.0
215.17964	4.2
223.27785	2.2
231.21072	2.6
233.18999	3.3
241.19522	5.6
259.20557	10.3
277.21579	9.0
307.22708	71.2
333.24167	7.6
351.25589	16.5
483.21634	2.4
501.35126	3.3
583.43555	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	780.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	5.6
55.05512	29.5
57.03441	25.8
57.99473	3.5
61.02938	5.5
65.03925	5.9
67.05167	6.2
67.05506	81.9
69.03432	3.6
69.07071	22.1
69.40958	3.2
71.04990	3.7
71.07384	3.4
79.05496	80.8
81.07063	100.0
81.18015	3.6
83.08631	20.6
83.46783	3.6
85.02886	4.6
85.06552	4.1
86.09722	23.4
91.05494	69.9
93.07054	74.6
95.04974	11.9
95.08047	6.3
95.08615	74.1
96.08938	3.9
97.02892	7.2
97.06540	9.3
97.10187	4.8
99.08081	8.1
105.07032	53.4
107.08602	44.9
109.06488	8.5
109.10187	24.1
117.07018	16.2
119.08573	43.1
121.10165	37.5
123.08057	6.9
123.11678	6.9
125.00006	11.5
125.09601	4.3
128.06241	4.4
129.06993	15.5
131.08583	26.7
132.55621	3.6
133.10141	36.2
135.08025	4.0
135.11722	17.6
143.08569	9.3
145.10168	21.6
147.11684	28.9
149.13283	8.3
157.04010	3.5
157.10136	11.7
159.11694	21.3
161.13243	8.3
171.11737	10.5
173.13298	10.6
175.14873	8.9
177.12741	6.7
184.07361	59.5
185.13190	4.2
187.14825	5.2
189.16350	5.9
203.18005	6.0
213.16367	25.7
231.17511	28.0
249.18521	13.4
259.20630	7.9
305.20950	11.1
307.22705	25.1
323.22253	28.3
333.24197	5.5
335.25778	66.2
351.25281	10.4
583.43512	36.9
654.90753	4.5
670.63782	3.8
760.07825	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	778.546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59218	5.7
55.05507	12.4
57.03428	10.3
67.05511	68.9
69.07067	12.3
71.59100	9.3
74.75385	5.1
78.12683	6.1
78.92113	5.7
79.05507	54.2
81.07066	59.2
83.08633	6.3
85.69727	5.7
86.09705	10.2
91.05479	22.7
93.07056	68.0
95.08620	44.6
97.10220	6.7
105.07043	23.3
107.08594	29.9
109.10166	20.1
112.01385	6.3
117.07011	10.7
119.08598	11.8
121.10170	39.5
123.11742	8.6
131.08620	14.2
133.10117	20.2
135.11697	22.7
145.10132	11.4
147.11748	9.4
149.13289	12.2
159.11691	10.0
161.13234	8.5
173.13286	11.2
184.07333	14.6
184.19209	5.7
190.11259	6.4
213.16338	6.5
215.17941	13.2
230.15919	6.8
233.18976	14.6
261.22150	12.6
282.33722	6.7
307.22678	100.0
308.23071	7.5
335.25900	80.2
548.65045	6.0
556.94354	5.7
567.43744	19.9
585.44861	12.6
589.58405	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	778.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.5
55.05508	11.3
55.27983	1.5
57.03449	6.9
60.08178	3.9
64.18761	1.8
65.03938	1.6
67.05505	44.3
69.03445	1.7
69.07064	12.7
70.08651	4.3
70.09052	3.7
71.05017	2.3
71.07397	4.3
79.05494	36.4
81.03436	3.5
81.07064	40.1
81.07517	2.8
83.05000	3.5
83.08640	4.7
85.86256	1.7
86.09715	29.6
91.05477	32.4
91.05994	2.5
93.07050	43.1
95.01327	2.8
95.04984	5.8
95.08616	24.2
95.09180	2.7
96.08978	1.5
97.06531	7.8
98.21413	2.3
98.98496	5.7
104.10806	1.7
105.07037	34.6
107.04984	5.8
107.08593	14.8
109.06538	3.7
109.10163	8.9
111.08044	1.9
116.72160	1.5
117.07027	12.3
119.08585	19.1
121.06527	2.2
121.10155	12.5
123.08098	2.1
123.11697	2.1
124.99999	21.3
125.00710	1.5
125.09649	1.6
129.07034	2.7
131.08575	13.5
133.10138	16.8
135.08067	2.0
135.11751	5.8
143.08568	2.1
145.10149	10.4
147.11694	9.7
149.13344	2.9
151.11317	1.8
157.10158	2.0
159.11713	6.0
161.13312	2.6
173.13303	2.7
178.07385	1.6
179.14407	3.6
184.07349	92.7
219.17438	50.2
257.19232	2.2
275.20038	22.5
307.22672	82.5
308.23004	3.6
331.19232	1.9
349.23639	18.2
349.26736	1.5
432.02090	1.7
581.42017	100.0
582.42041	5.2
778.55457	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	777.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.2
57.02451	0.6
57.03437	1.2
61.02932	4.3
67.05515	4.1
69.03452	3.0
69.07072	2.5
71.05025	0.7
71.59815	0.9
73.02917	2.7
73.27515	0.6
79.05510	4.0
81.03438	3.0
81.07063	4.1
83.04988	0.8
83.08629	1.1
85.02909	4.1
91.03960	3.1
91.05486	3.6
93.07043	3.2
95.05000	1.4
95.08624	1.6
97.02908	4.2
99.04480	1.0
101.02390	1.0
105.07035	2.8
107.04955	0.8
107.08611	1.7
109.02946	0.6
109.06543	0.7
109.10184	1.1
117.07069	0.9
119.08639	1.6
121.10179	1.3
123.08114	0.8
125.09594	0.8
127.03944	1.3
131.08578	0.9
133.10150	1.1
135.11717	1.6
145.10135	1.5
163.11230	1.5
175.11192	0.6
184.07385	1.8
185.04300	0.8
197.21117	0.6
243.08533	2.4
333.20352	1.3
467.18835	6.7
469.20642	1.7
551.28156	3.4
748.91650	0.7
777.40363	100.0
778.40375	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	777.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.5
70.76790	2.8
70.77121	5.0
79.05487	10.6
81.03400	2.6
81.07044	2.1
91.05471	7.6
93.07042	7.6
94.06579	11.9
95.04996	2.6
103.05481	6.3
105.07059	2.8
106.06557	4.7
107.07359	3.0
108.08117	12.1
110.09656	2.1
116.04915	3.3
118.06570	4.4
120.04517	5.1
120.08117	45.3
122.06049	20.7
122.09709	5.5
123.06814	4.2
124.07586	2.9
134.06020	5.4
136.07574	22.5
138.05495	6.3
138.09186	4.6
144.04497	4.3
145.02931	2.5
146.06049	6.3
147.04414	4.5
148.07587	100.0
150.05566	2.6
150.09122	4.3
151.06294	22.8
152.07098	11.8
158.06023	2.2
159.06496	2.7
160.03896	2.0
160.07628	2.7
162.05522	5.3
163.03938	6.3
164.04274	2.3
164.07042	4.8
166.08656	90.6
167.78946	2.0
172.03961	23.2
174.05533	6.5
183.20074	2.0
188.07059	6.0
190.05037	9.0
194.08148	14.9
196.09795	2.6
199.08629	2.4
204.06569	34.7
206.08064	3.0
207.09196	2.6
208.09804	4.8
211.08745	3.7
212.09181	13.0
213.31709	1.9
221.10799	5.7
223.08739	3.1
223.12321	5.1
224.09175	4.1
225.10240	8.2
227.08205	13.3
227.11795	7.1
235.08694	4.5
236.09407	4.6
237.10260	18.9
239.08160	4.8
239.11882	6.0
241.09729	6.4
243.11253	6.3
248.05602	3.5
249.07637	2.6
249.10173	15.1
250.11092	3.5
251.11780	11.8
252.08708	23.7
252.12444	2.5
253.09720	9.3
255.11363	6.2
259.04944	2.1
264.08978	9.5
265.09778	27.6
267.11301	11.4
269.09418	4.6
269.12534	2.5
271.10904	3.5
273.12259	2.2
277.09766	8.5
278.10510	5.0
279.08105	4.6
279.11325	16.0
279.80896	2.2
281.09274	10.8
281.12234	2.4
283.10843	6.2
285.08807	4.8
285.12057	5.5
286.04871	3.1
286.09473	2.9
287.05249	5.0
288.05582	4.5
289.09879	2.8
293.09235	17.1
293.12814	6.7
294.09827	2.7
295.10638	14.5
297.12479	4.8
299.10269	8.4
300.10886	2.4
303.13492	11.0
305.09186	4.1
307.10739	10.7
309.12311	4.7
311.10294	14.4
311.13635	3.7
313.11841	3.2
314.12790	3.4
317.15042	3.3
319.10840	5.0
321.08691	4.0
323.10355	38.1
324.11072	3.5
325.11917	7.6
326.12997	2.6
327.09689	7.1
327.13412	12.1
328.14554	3.3
329.11536	2.7
337.11722	3.9
339.09641	20.7
339.13449	29.0
341.11234	5.6
341.15063	3.5
342.15823	5.2
353.11353	5.7
353.15170	3.8
355.12756	2.5
356.13968	3.8
359.12421	7.5
365.11255	5.3
367.12943	3.7
368.13876	3.2
370.15652	4.6
371.12366	14.4
371.16211	4.6
373.13895	2.6
381.10788	3.6
382.11423	3.3
384.13129	5.7
385.14084	4.4
397.13889	10.6
398.14822	2.4
400.16623	5.4
411.11847	12.3
412.16602	3.4
418.17480	5.3
428.15924	3.0
430.17584	13.7
438.14560	4.1
443.14648	4.3
446.16739	2.4
456.15408	6.1
458.16849	3.4
460.18753	3.4
462.16556	9.0
474.16727	21.4
476.18018	6.5
490.19962	2.7
492.17911	3.9
494.19077	5.6
506.19232	25.3
508.21204	2.5
524.16333	3.4
532.20093	3.7
534.18640	5.2
550.21973	3.3
566.25079	3.8
578.17786	23.7
580.18976	14.3
581.23584	3.0
592.22931	15.7
594.20514	11.7
601.12189	7.2
609.23260	10.8
610.24371	19.3
611.24188	3.1
613.26270	2.9
623.22369	2.6
625.26379	2.9
636.21790	16.4
637.22321	2.8
654.23077	50.6
655.23474	8.8
669.25537	11.2
683.26563	3.1
695.22784	4.4
701.28101	4.1
713.24451	14.2
727.25885	4.0
745.26251	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	777.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76713	0.9
64.98824	0.8
66.98348	1.0
67.05492	2.7
67.39635	1.1
69.07052	1.1
70.02253	1.3
70.02524	5.0
70.06599	1.5
77.65958	1.0
79.05483	3.3
81.03413	1.2
81.07047	2.8
86.09659	0.9
89.03928	1.2
89.77065	1.1
91.05477	1.6
92.05016	1.2
93.07034	3.3
94.06562	2.0
95.04945	1.1
95.08599	1.8
100.15691	0.9
103.05455	1.5
104.04990	13.1
105.07003	1.4
107.08620	1.6
108.08138	8.6
116.25160	1.1
118.06527	2.4
119.08570	1.1
120.04469	4.6
120.08109	7.4
122.06090	4.9
122.06788	0.9
130.06496	1.1
133.10062	1.1
136.07585	16.5
138.05513	3.0
148.07581	15.3
150.05510	4.6
150.09261	1.1
152.07021	1.1
155.07304	1.0
162.05511	2.2
163.03876	5.5
166.08661	2.4
172.07553	1.8
176.07069	4.4
177.05435	1.3
178.04994	4.3
178.08627	4.6
180.06569	28.1
180.10149	2.1
184.07436	1.5
188.03452	3.3
188.07118	1.2
194.08130	5.2
196.06075	2.1
196.09731	14.9
197.10669	1.1
204.06558	2.5
206.04384	1.3
209.10867	1.1
210.09215	1.1
211.08650	4.6
212.09271	2.3
213.03976	1.1
222.07622	20.6
222.09601	1.6
223.08614	2.3
225.10191	5.5
227.08130	1.2
227.11839	8.4
228.08948	1.2
235.08781	1.2
237.10152	1.6
238.10950	2.3
239.08195	3.4
240.08879	1.7
241.09703	2.1
251.08221	4.9
252.08800	7.2
253.09732	8.2
254.10481	1.4
255.11359	3.4
263.08237	1.6
264.08951	3.1
265.09769	5.3
266.10342	2.1
267.07748	2.0
267.11246	4.0
268.08606	1.2
269.09491	1.9
269.12836	7.7
271.10727	1.7
278.10391	1.4
279.07687	5.0
279.11264	6.8
280.08444	17.3
281.09204	11.3
282.09964	9.8
283.10672	3.5
285.12341	2.5
287.13916	18.1
291.07690	1.4
293.09137	3.0
293.12363	1.2
295.10901	8.1
295.13995	1.9
297.12250	8.2
299.10364	7.0
308.07925	33.5
308.11200	1.6
309.08618	2.4
309.12057	1.3
311.10208	3.0
313.11929	5.1
323.10269	14.9
326.09000	1.7
326.12613	1.4
329.11255	4.5
329.15134	2.7
339.13345	2.0
341.11349	73.8
342.11798	3.6
343.13043	1.4
346.15506	1.3
355.12967	2.7
356.13980	2.5
357.10504	1.1
358.11804	2.1
372.13272	3.3
374.15128	2.4
384.13263	1.1
385.10172	2.1
386.15161	1.5
388.16486	1.5
398.15192	1.3
400.12811	2.1
401.13284	1.4
402.14658	6.1
416.15952	2.8
417.12900	1.6
418.13632	1.3
427.11215	3.1
428.12143	1.5
430.17426	2.0
433.15747	1.9
434.17300	1.3
444.15424	2.2
448.18887	6.5
458.16971	3.8
462.16556	1.4
466.19919	1.6
476.18198	9.3
490.19553	1.9
494.19406	5.7
508.20746	9.8
518.19116	3.3
522.55579	1.2
526.17432	1.1
534.22461	6.1
536.20337	29.6
546.18683	1.4
560.20111	1.8
572.16156	1.5
578.21179	10.8
580.10785	1.2
580.19385	20.4
590.17969	5.8
604.19153	5.3
609.22937	1.4
622.20337	100.0
623.20520	7.8
653.22107	1.4
654.22913	41.8
655.23145	3.2
673.33899	2.4
701.25067	1.3
741.85437	1.2
745.24011	2.9
759.38159	1.7
777.38000	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	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.05518	37.9
55.06030	1.3
57.03228	1.3
57.03444	14.9
57.07072	2.2
59.04993	1.7
61.02924	4.8
65.03939	5.4
67.05510	100.0
69.03429	3.5
69.07075	19.6
71.01360	1.6
71.04991	4.1
71.58584	1.5
71.58960	1.9
79.05495	45.8
81.03413	4.2
81.07064	58.9
83.04974	5.5
83.08630	17.2
85.02902	16.1
85.06546	1.6
86.09708	1.9
87.04462	5.5
91.05486	28.3
93.07049	38.5
95.04958	6.2
95.08613	39.0
95.22812	1.4
97.02891	3.7
97.06535	4.6
97.10182	20.4
105.04514	2.0
105.07029	14.6
107.04966	3.1
107.08604	26.4
109.06552	1.6
109.09458	3.2
109.10165	49.1
111.08067	3.2
117.07012	7.5
119.08576	13.8
121.10157	20.3
123.08063	2.3
123.11699	4.4
125.09637	20.6
129.06947	1.6
131.08577	10.8
133.10147	10.2
135.11697	12.0
137.09605	4.1
137.13217	3.0
139.11124	1.5
143.08566	2.9
143.10730	2.4
145.10094	7.9
147.08044	2.0
147.11696	6.3
149.13258	5.1
155.10634	2.8
157.10124	1.8
159.11716	4.4
161.13271	3.3
163.14836	4.4
163.55193	1.7
173.11752	12.1
173.13283	3.7
181.12296	2.2
183.11671	1.6
184.07375	6.3
185.13193	2.0
189.11232	1.8
199.13281	6.7
209.11807	2.8
227.12770	5.1
229.14365	34.7
229.16553	2.7
243.21049	4.2
261.22104	8.4
267.15973	2.7
277.21594	1.9
283.15482	2.1
301.16455	13.2
317.24545	1.8
335.25809	66.2
363.25366	2.1
367.97040	1.8
477.35989	7.3
489.35669	10.8
543.36676	3.9
561.37451	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	775.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
57.03440	1.1
57.23271	0.9
61.02928	5.3
62.92378	0.7
67.05509	7.7
69.03446	1.8
69.07078	2.7
71.04967	0.8
71.59357	1.0
73.02915	3.5
79.05501	7.3
81.03414	4.2
81.07046	6.2
83.04994	0.9
83.08645	1.8
85.02933	3.9
88.77017	0.9
91.03969	3.4
91.05472	6.7
93.07040	8.0
95.04985	2.7
95.08611	4.3
97.02875	4.6
97.06569	1.4
101.02386	2.0
105.07035	4.5
107.04994	1.0
107.08617	2.6
109.02879	0.9
109.10180	1.9
117.07056	2.2
119.08615	3.6
121.10204	1.2
131.08569	1.2
133.10165	2.9
135.11740	1.0
143.08626	0.8
145.10136	1.6
147.11723	2.6
163.11275	1.2
171.11812	1.6
184.07436	1.3
243.08572	2.5
247.13141	1.5
333.20480	1.6
381.70993	0.8
465.21014	10.8
467.18900	1.1
551.28333	4.5
557.99091	0.9
758.55145	0.9
775.42291	100.0
776.42114	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	775.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16433	0.7
62.57137	0.7
67.05516	1.2
68.49258	0.6
69.03457	0.7
69.07092	0.9
71.58628	0.8
71.59064	1.2
79.05492	0.8
80.57378	0.7
81.07079	1.3
89.03915	1.0
91.05478	1.3
93.07065	1.3
94.06614	1.1
95.04974	0.8
97.24152	0.8
107.08650	0.9
108.08146	1.5
109.10174	1.0
117.05760	1.1
118.06590	1.9
120.08155	3.0
121.02873	1.3
122.06035	1.9
130.06511	1.1
132.08110	4.0
136.07614	3.1
144.08127	2.0
145.07619	0.9
146.06052	3.7
148.07584	2.0
150.05548	2.0
154.05089	0.8
156.08182	1.4
159.06865	1.9
159.11711	0.9
160.03995	3.6
160.07581	4.1
162.05428	0.7
162.09091	3.5
164.07126	2.5
164.10719	0.9
166.08681	1.8
168.08151	0.9
170.08426	1.8
170.09726	1.0
172.03923	1.1
172.07594	2.5
174.09149	1.1
176.07106	0.9
176.10777	1.2
178.05031	1.8
178.08832	0.8
180.10167	1.1
184.07655	1.4
185.10759	1.8
186.05586	2.7
187.06300	1.7
188.07117	2.4
190.08656	0.9
192.06654	1.0
194.08269	1.0
195.09241	1.4
196.07582	1.1
198.05620	1.3
198.07903	3.3
199.08725	2.0
199.14812	0.8
200.07172	1.1
201.10341	1.3
202.08690	2.8
204.06641	2.1
205.07439	1.5
206.08122	3.7
213.06578	1.7
213.10365	3.7
214.08745	0.9
216.06573	1.6
218.04512	0.9
218.08163	1.5
220.09715	3.4
224.07144	2.4
225.10304	1.3
226.07353	4.5
227.08127	1.2
230.08305	1.0
233.06964	2.8
234.07596	1.0
234.11319	2.1
237.10294	1.0
239.08289	1.1
240.08989	2.4
241.09734	11.2
242.08197	1.2
244.08449	1.2
248.09201	31.7
249.10071	1.3
251.11763	0.8
253.06065	1.5
257.09283	1.9
259.10687	1.1
262.10858	1.8
267.07837	1.8
269.09302	6.1
269.12064	0.9
274.07181	2.0
275.07837	2.2
276.08707	1.5
277.05887	1.1
278.06619	5.1
278.10846	0.8
279.07599	2.2
279.11145	1.2
280.11823	37.1
283.10812	1.8
285.08960	1.9
287.10254	7.2
293.09210	3.2
295.10757	1.1
301.12091	1.2
306.09717	11.0
307.07321	1.1
311.14111	2.3
321.12500	0.8
325.12161	0.8
338.08893	0.7
339.13431	1.9
343.13022	2.6
343.31232	0.8
345.10632	0.8
353.15097	2.6
365.11432	0.9
369.11234	0.9
371.16290	1.0
373.10358	6.7
382.11545	1.0
384.13345	1.1
391.11349	3.7
396.13654	3.4
412.12811	0.9
414.14401	1.3
424.12997	2.1
425.13556	1.4
440.12466	1.3
441.13513	1.2
456.16129	4.1
469.12790	1.2
474.16757	0.9
484.14923	2.3
501.15515	0.8
544.17346	1.5
548.19885	1.2
566.21631	1.0
576.19415	5.0
593.29675	0.9
608.22333	20.2
608.31506	1.4
609.23059	0.9
610.66187	0.8
620.18658	3.6
652.21375	100.0
653.21759	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	775.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80141	1.1
68.25353	1.0
71.58825	1.3
73.79603	1.2
79.05495	2.5
80.05004	1.7
81.03397	1.7
81.07070	2.2
85.02893	1.9
91.05477	3.2
93.07028	3.3
94.06583	1.4
95.04967	1.3
103.05453	2.4
107.08553	1.4
118.06555	1.7
119.08622	1.5
120.08127	12.1
124.07612	1.2
129.06987	1.7
131.07335	7.4
134.05966	1.1
136.07559	3.7
138.09227	1.6
146.09630	9.6
147.04422	3.1
148.07579	22.9
150.09117	1.2
158.09595	1.3
159.06834	1.2
164.07062	1.7
165.09077	1.7
168.10133	1.2
171.09280	1.6
172.03918	1.2
174.09126	12.4
185.07242	1.1
186.09102	1.7
192.61830	1.0
194.53395	1.2
196.10007	2.4
198.07823	2.5
199.08644	4.5
202.08635	18.9
209.07092	1.2
211.08650	2.7
212.09297	1.7
213.06554	12.2
213.10216	1.7
214.07245	1.5
216.10255	1.7
220.09705	2.7
223.08656	5.1
224.09396	4.0
225.10217	7.4
226.07333	2.7
227.08159	12.5
228.08946	3.5
235.08643	1.9
237.06578	2.9
237.10269	2.2
238.07140	1.3
239.08276	5.8
239.11862	1.4
240.08873	2.2
241.06075	3.6
241.09718	4.4
243.07649	1.1
243.11244	9.2
251.08125	11.5
252.08824	13.2
253.05995	1.6
253.09715	12.2
254.10497	2.5
255.07582	3.6
255.11185	1.9
256.08481	2.5
259.10709	1.3
260.42593	1.2
263.08145	2.1
265.06168	1.6
265.09729	3.3
266.06888	1.4
266.10635	1.8
267.07648	5.1
267.11279	13.9
269.09262	5.8
269.12555	1.6
270.10156	1.8
271.07217	1.6
271.10684	2.1
273.08612	1.4
276.08737	1.2
278.10602	1.6
279.07697	17.6
280.08423	7.7
281.09225	19.1
282.09882	5.0
283.07245	2.0
285.08679	3.2
285.12299	5.1
287.10284	1.7
291.07629	1.4
293.09180	2.4
294.09906	2.2
295.07230	2.1
295.10770	19.8
296.11594	3.6
297.08725	5.0
297.11987	1.6
300.07565	1.3
305.09238	1.6
306.09781	2.5
307.07117	2.4
308.07990	2.4
309.08731	10.7
310.09491	10.5
312.07263	1.3
313.07983	1.4
313.11902	2.4
315.09769	51.8
316.10651	2.3
317.11459	1.6
323.10355	5.4
324.10959	1.7
325.08423	2.3
325.11865	20.0
326.09042	2.0
327.09799	1.8
328.10645	1.2
329.11401	1.8
339.09601	1.9
341.11325	27.5
341.15482	1.4
342.11993	2.7
343.13196	1.5
344.13950	2.3
347.12415	27.0
351.09937	6.5
355.12933	3.2
368.10068	22.9
368.14328	2.7
369.10818	100.0
370.11356	4.9
371.12839	1.3
372.13495	3.2
383.12503	1.9
386.15045	2.8
387.11887	36.5
388.12564	3.3
392.13766	1.2
396.13202	2.3
400.12732	16.3
401.13434	55.3
402.14001	3.8
406.14050	2.1
414.14539	6.8
416.15973	4.3
418.13849	1.6
428.15857	1.6
442.13556	1.7
452.94186	1.4
460.14981	40.8
478.16135	3.5
492.17429	9.3
521.13824	1.4
530.18182	1.4
534.18915	1.6
544.17151	1.5
548.20160	1.6
576.19678	4.8
579.21680	1.6
607.21539	2.4
608.22253	8.7
620.18713	11.0
622.19946	4.5
623.23395	1.8
624.21259	3.6
639.24371	1.3
652.21362	81.5
653.21240	3.6
654.22345	3.2
693.21472	2.0
711.23090	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	774.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.9
55.05511	34.0
57.03432	12.8
57.07066	4.7
67.05514	68.0
69.07069	34.8
71.01341	6.0
71.04978	12.3
71.59504	6.4
73.98325	3.9
79.05489	39.7
81.03439	35.6
81.07064	77.1
83.04975	17.9
83.08620	21.7
83.66740	4.2
85.02913	13.3
91.05489	32.9
93.07050	53.2
95.04968	13.4
95.08613	51.6
97.02898	14.8
97.06503	12.0
97.10181	8.3
98.21348	4.2
105.07024	14.1
107.04969	21.6
107.08613	24.2
109.02895	4.8
109.06554	11.8
109.10166	14.5
111.04469	28.3
111.08084	4.8
117.07007	17.3
119.08570	20.4
121.06542	11.1
121.10160	18.9
123.08037	7.6
123.11673	9.4
125.06008	8.9
125.09653	4.5
125.53803	4.8
129.07018	5.2
131.08559	13.0
133.10182	7.1
135.11707	18.1
145.10152	30.8
147.08037	9.4
153.12766	10.7
155.08542	5.9
163.11200	39.5
173.09627	8.5
181.12257	5.7
184.07365	4.5
191.10674	13.1
209.11758	12.2
223.13345	30.3
227.12762	14.4
239.86295	4.2
241.14386	50.4
241.82658	4.3
265.14261	8.7
269.41272	4.8
283.15427	32.7
315.18106	73.6
337.27377	100.0
411.25043	4.8
492.59134	5.7
527.37366	15.9
545.38373	93.5
546.38928	5.3
577.41046	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37374	1.5
55.01868	3.0
55.05515	20.1
57.03444	19.8
57.07078	2.8
65.03951	3.1
67.05507	64.0
67.88291	1.5
69.03419	2.1
69.07065	17.0
70.84753	4.8
71.04973	4.5
79.05499	49.2
81.03423	95.3
81.07061	61.3
83.04986	6.7
83.08621	25.3
85.02887	1.8
85.06543	2.2
91.05485	41.0
93.07051	48.6
95.04975	29.0
95.08612	42.4
97.02879	4.3
97.06508	5.4
97.10174	8.3
99.08125	2.1
105.07034	25.5
107.04945	7.9
107.08610	25.4
109.06532	7.5
109.10159	19.1
111.08084	6.1
115.69975	1.6
117.07011	7.4
119.07782	2.9
119.08590	29.9
121.06524	2.5
121.10153	24.6
123.08097	3.4
123.11742	7.4
125.09637	4.7
129.07001	10.8
131.08580	23.6
132.36095	1.5
133.06526	3.5
133.10147	13.3
135.08064	1.6
135.11688	13.8
137.09618	2.1
142.07835	1.4
143.08510	2.9
145.10162	12.3
147.08051	4.0
147.11688	14.9
149.09622	4.8
149.13289	5.7
157.10155	12.3
159.11732	8.6
161.13264	5.6
163.11208	4.3
163.14798	3.2
165.12779	2.9
171.11729	1.9
173.09749	1.9
173.13297	6.9
175.11200	7.3
175.14915	1.6
177.12778	1.7
185.13203	1.7
187.14813	5.7
189.11234	2.2
193.12273	21.8
211.13235	2.3
221.15216	1.6
227.12816	6.4
243.21165	5.1
249.14833	3.0
261.19186	2.0
261.22144	18.3
267.15927	100.0
268.16162	1.9
279.23224	2.2
301.25204	8.1
309.16907	2.8
317.24799	3.5
335.25815	91.7
336.26187	2.5
419.01807	1.6
421.26028	1.9
435.32568	5.8
453.33536	8.1
471.34637	6.6
509.35938	1.9
527.37354	59.8
528.37567	3.8
545.38342	49.5
546.38745	2.7
559.39935	3.7
569.38348	3.0
709.62231	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	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24915	2.3
54.69783	2.6
55.01871	13.0
55.05515	42.8
57.03443	26.0
57.07069	2.8
61.02917	6.6
61.87978	2.5
65.03928	2.9
67.05509	90.1
69.03439	15.1
69.07072	40.7
70.06581	3.8
70.48482	2.4
70.49149	8.1
71.04987	8.1
73.02916	3.6
79.05493	83.0
80.30167	3.0
81.03424	86.0
81.07059	100.0
83.04976	27.0
83.08623	46.7
85.02912	36.6
85.06540	7.3
91.05485	82.8
91.06069	3.1
91.07819	2.4
93.07047	68.0
95.04980	44.2
95.08616	40.5
97.02882	7.8
97.06536	17.2
97.10176	21.2
97.30592	2.5
99.04444	3.0
99.08093	4.0
105.07036	66.6
107.04948	20.7
107.08597	50.6
109.02848	5.5
109.06531	10.5
109.10168	16.8
111.04482	2.6
111.08055	17.5
113.06023	3.5
114.46137	3.0
115.05474	3.7
117.07026	19.2
119.08585	52.1
121.06486	7.3
121.10141	29.1
123.08076	5.8
123.11696	6.4
125.09668	14.0
127.03910	3.5
128.06229	4.4
129.07014	22.1
130.07756	3.1
131.08574	38.1
133.06508	3.1
133.10139	39.5
135.08057	6.3
135.11710	12.5
137.09631	5.9
142.07785	3.9
143.08575	4.3
145.10112	18.6
147.08070	7.2
147.11700	28.1
149.09624	23.6
149.13243	11.6
157.10114	21.2
159.11691	15.5
161.09674	3.1
161.13275	4.7
163.11203	12.5
165.12833	5.8
169.10100	3.0
171.11739	3.5
173.04413	4.5
173.13297	7.8
175.11189	20.4
177.12709	4.2
179.14252	4.0
183.11708	3.5
184.07347	7.7
185.13387	2.8
189.11221	8.9
193.12251	53.7
195.13786	7.1
211.13286	86.9
212.13728	2.8
220.55382	2.7
227.12778	19.2
229.19598	4.0
239.18071	3.6
250.41338	2.5
255.15948	8.0
257.19016	11.3
267.15942	34.7
269.17477	22.3
275.20050	39.2
285.16949	75.6
286.17413	2.7
293.21265	3.7
349.23737	41.4
381.22882	4.0
439.26468	3.4
447.27359	9.3
448.62546	2.9
455.25940	2.7
461.29132	18.1
465.28568	15.7
479.30023	56.8
519.32697	4.0
541.35065	14.7
559.36316	40.6
577.37140	5.1
783.66351	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	774.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	14.9
55.05519	40.2
57.03428	28.9
60.72369	4.7
61.02924	11.8
65.03934	5.3
67.05506	84.3
69.03423	17.8
69.07057	25.9
70.49447	15.2
70.49840	10.6
71.04989	6.9
71.08632	7.8
73.02193	4.3
77.11443	5.0
79.05501	78.0
81.03423	74.0
81.07061	81.3
83.04986	29.9
83.08627	40.2
85.02914	23.8
91.05487	100.0
93.07055	85.6
95.04976	38.7
95.08616	42.4
97.02901	17.5
97.06554	13.7
97.10141	14.0
99.08097	13.2
105.07043	81.2
107.04964	12.9
107.08597	44.4
107.49870	5.1
109.06506	14.7
109.10168	17.8
111.08096	20.5
113.05997	5.0
115.05490	6.7
115.99314	5.1
117.07037	20.7
119.08593	60.8
121.06525	10.8
121.10133	30.2
125.00089	6.0
125.09624	7.8
128.06279	6.0
129.05504	10.7
129.07004	27.6
131.08592	48.6
133.10135	58.0
135.08037	11.9
135.11716	15.4
137.09622	10.5
142.07675	5.3
143.08502	10.2
145.10132	26.7
147.11694	50.8
149.09631	14.3
149.13293	6.8
157.10175	27.3
159.11693	17.1
161.09792	5.4
161.13277	17.5
163.11224	8.9
171.10231	6.8
171.11694	15.3
173.13281	14.1
175.11229	18.0
175.14810	9.6
177.12743	6.5
179.14415	7.0
184.07350	10.1
185.13272	6.0
193.12253	59.5
199.14772	5.2
211.13335	65.7
239.18141	6.3
241.19620	11.4
257.18832	7.2
259.20596	33.9
267.13336	5.9
267.15967	22.6
269.17358	12.3
275.20065	16.1
283.15448	13.1
285.16922	55.6
293.21100	26.3
301.16461	11.6
333.24252	36.2
349.23840	8.2
461.28851	6.5
479.30084	23.5
481.20880	5.9
520.19336	5.4
525.34833	6.0
543.37024	24.9
559.36127	17.0
577.36975	6.1
670.89856	5.2
775.42719	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05515	10.7
57.03441	4.0
57.07074	3.0
61.02933	13.4
67.05170	1.5
67.05511	22.3
67.05873	1.1
69.03429	6.9
69.07067	10.2
69.26454	0.6
71.01344	1.1
71.05009	1.6
71.08641	1.2
71.59737	1.3
73.02924	6.5
74.89057	0.7
79.05495	13.9
81.03397	3.5
81.07064	22.3
83.04994	1.6
83.08618	6.2
85.02911	10.6
85.06561	1.2
91.03980	7.9
91.05485	14.3
93.07058	15.0
95.04989	1.8
95.08619	16.6
97.02897	10.6
97.06547	2.1
97.10164	2.1
99.04478	1.7
99.08105	0.7
101.02399	2.3
105.07040	13.0
107.08604	8.5
109.02878	0.9
109.06536	1.7
109.10167	6.0
111.08118	0.9
115.05451	0.8
115.91637	0.7
117.07030	8.2
119.08594	11.5
121.10159	6.2
123.11728	1.7
127.03950	2.1
128.06233	1.4
129.07016	8.0
131.08575	12.7
133.10130	7.5
135.08087	0.9
135.11682	4.3
137.09683	1.0
141.07037	1.9
141.71342	0.9
142.07829	1.2
143.08560	10.1
145.04970	0.9
145.10129	13.1
145.11156	1.3
146.10617	1.1
147.08072	0.8
147.11691	5.0
149.13280	1.8
150.46382	0.9
151.14828	0.8
155.08571	6.0
157.10143	9.3
159.11710	8.8
161.13304	2.4
163.14882	0.9
167.08620	2.4
169.10118	7.7
171.11691	7.5
173.13300	4.9
175.11284	0.8
175.14943	1.6
179.08633	0.9
181.10092	3.6
183.11714	6.4
184.07396	2.1
185.13278	5.2
187.14861	3.7
189.16393	1.3
193.10301	0.9
195.11758	3.4
197.13245	5.4
199.14851	4.8
201.16431	1.8
203.18021	1.2
205.92131	0.9
207.11713	1.2
209.13290	3.7
211.14828	4.0
213.16452	3.5
215.17970	1.3
221.13370	0.9
223.14833	1.8
225.16527	2.4
227.18045	2.8
229.19501	1.0
235.14848	1.8
237.16385	1.0
239.18054	1.3
241.19711	1.8
243.21350	1.1
249.16328	0.9
251.17938	1.4
253.19652	1.1
265.19604	0.9
267.21161	0.7
281.22699	1.1
283.20560	1.0
299.23462	0.8
309.22229	1.0
311.23441	0.9
327.26581	1.0
337.27390	1.0
339.26859	1.2
402.72961	0.9
499.34424	0.9
513.35754	1.1
519.41736	4.5
537.42865	2.8
541.39313	1.4
555.41333	0.9
593.45703	6.6
609.44940	2.1
611.46735	100.0
612.46967	7.2
623.46625	1.2
653.47443	1.1
701.49023	0.8
737.49487	1.3
755.50702	2.0
773.52148	19.1
774.51801	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	773.52
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.0
55.05260	3.4
55.05515	38.0
57.03442	15.1
57.07071	6.5
61.02930	14.4
62.02660	2.0
63.06366	1.6
65.03931	4.6
67.05510	100.0
69.03429	9.6
69.03769	1.8
69.07072	29.8
69.53344	13.1
71.04991	4.1
71.08621	2.1
73.02918	6.3
75.10484	1.9
79.05496	80.5
79.26003	1.7
81.03430	12.2
81.07061	92.5
83.04980	7.0
83.08629	15.8
85.02938	13.9
85.06549	3.7
91.03951	7.6
91.05485	73.7
93.07050	91.3
95.04967	14.8
95.08614	71.9
95.09237	2.3
97.02889	13.2
97.06531	8.7
97.10152	4.9
98.21111	7.2
99.08082	3.9
101.02397	2.8
103.05496	3.4
105.04522	2.7
105.07036	75.2
107.04977	4.4
107.08604	49.2
109.02858	2.5
109.06514	7.3
109.10155	26.9
111.08105	2.8
115.05458	4.2
116.06184	2.8
117.07027	24.2
119.08595	62.8
121.06548	3.0
121.10150	42.8
123.08074	4.5
123.11717	7.1
125.09624	3.3
127.03899	2.7
128.06213	4.2
129.05489	2.4
129.07007	19.3
131.08572	48.2
133.06483	2.1
133.10141	44.9
135.08014	3.3
135.11694	26.9
137.09605	3.4
137.13252	3.9
138.31326	2.0
139.11212	2.2
141.07005	6.0
142.07800	3.9
143.08575	20.1
145.06506	2.0
145.10143	43.1
147.11696	37.0
148.12019	2.3
149.09621	4.0
149.13272	16.8
151.07542	2.3
151.11122	2.0
155.08521	9.1
157.10141	20.9
159.11708	34.5
161.09590	2.3
161.13280	30.2
163.11157	2.6
163.14859	7.3
167.08582	3.1
169.10149	10.1
171.11713	23.7
171.13171	2.6
173.13263	22.3
175.09239	2.0
175.11285	4.6
175.14804	11.4
177.12766	2.1
181.10139	5.0
183.11719	11.0
185.13261	17.5
187.14807	8.8
189.12737	3.2
189.16389	3.0
191.14317	2.3
195.11737	4.6
197.13283	7.2
199.14848	10.6
201.14714	2.3
201.16452	5.9
203.17957	2.5
209.13286	5.6
211.14871	5.1
213.16379	6.9
215.18013	5.3
223.14891	2.0
225.16418	3.2
229.19609	2.2
231.21100	4.5
239.17982	3.9
241.19562	30.9
243.21095	5.5
255.17221	2.1
257.19046	7.8
259.17981	3.7
259.20587	50.3
261.22122	9.9
271.20511	3.0
275.20142	3.1
285.22131	3.0
289.21765	2.7
295.20587	1.9
301.21753	2.9
315.23349	3.5
325.21564	3.7
331.22696	2.5
333.24301	33.1
335.25809	84.7
336.26181	4.6
337.27301	4.3
339.27090	2.3
349.21393	3.0
351.25668	2.3
367.22861	5.0
375.25266	3.8
385.23682	4.1
403.24792	2.4
441.25916	2.6
459.27203	3.4
519.42230	3.6
541.38770	3.9
543.41107	2.3
593.45605	10.7
609.44904	4.5
611.46698	86.2
612.46606	6.0
623.46667	2.5
677.47394	2.5
689.47162	2.3
701.47516	5.2
719.48859	7.0
737.49011	4.8
755.50153	5.2
773.52344	13.6
780.09955	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	773.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
57.03431	3.1
61.02937	5.1
67.05504	4.6
69.03430	2.9
69.07078	1.4
73.02927	3.7
79.05499	2.6
81.03407	2.0
81.07073	7.3
83.08649	1.4
85.02925	4.6
88.94476	0.9
91.03961	3.6
93.07060	2.0
95.08616	4.0
97.02902	5.1
99.04451	1.8
101.02348	1.6
106.16924	1.0
107.08595	1.8
109.10168	1.5
121.10159	1.6
127.03934	2.7
136.31328	0.9
184.07480	1.2
185.04376	1.1
190.85580	1.0
239.09601	1.2
243.08392	1.6
256.09619	1.1
432.25439	1.2
493.27744	5.8
495.29507	2.7
519.29468	4.2
521.30988	1.4
637.76410	1.3
773.51721	100.0
774.52020	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
55.05302	2.4
55.05519	27.9
56.63881	2.2
57.03441	14.6
57.07069	6.8
61.02928	15.6
63.50440	2.7
65.03937	5.7
67.05511	100.0
69.03439	11.8
69.07072	30.8
71.04998	5.4
71.31787	4.2
73.02917	6.7
79.05502	80.5
81.03412	6.6
81.07064	95.0
83.04987	5.2
83.08629	15.6
85.02923	15.4
85.06570	2.7
90.09628	2.3
91.03967	4.5
91.05489	79.6
92.35949	2.2
93.07051	94.0
95.04980	13.6
95.08617	74.0
97.02874	12.6
97.06540	5.5
97.10169	6.9
99.08104	2.5
103.05453	3.7
105.07040	74.1
107.08597	44.0
109.10175	32.6
111.08091	2.9
117.07034	30.1
117.90739	2.4
119.08597	54.6
121.10165	28.5
123.08076	4.6
123.11744	7.7
127.04006	2.7
128.06244	4.0
129.07011	15.6
130.07825	3.4
131.07686	4.1
131.08589	40.9
133.10144	45.2
133.27806	2.6
135.08038	3.6
135.11722	28.2
137.13293	3.1
141.06973	3.0
142.07741	3.0
143.08568	20.2
144.09334	3.3
145.06409	2.8
145.10149	35.5
147.11714	36.9
149.13246	16.7
155.08583	8.2
157.10121	21.5
159.11702	33.3
161.13277	28.4
163.11221	2.7
163.14841	4.0
169.10146	7.0
171.11723	21.0
173.13277	20.9
175.14861	12.0
181.10144	6.7
183.11723	5.0
185.13289	17.6
187.14864	7.5
189.12808	3.7
194.68227	2.4
195.11728	4.4
197.13289	7.8
199.14841	5.6
201.16412	4.1
203.14395	3.1
209.13260	4.9
211.14809	3.4
213.16391	5.4
215.17947	2.5
231.21082	5.8
239.17990	4.5
241.19537	25.6
243.21181	3.0
257.19092	4.5
259.20584	43.8
261.22153	10.7
271.20615	2.6
297.21872	3.7
301.21753	2.6
315.23236	4.3
333.24277	31.9
335.25830	64.4
338.99210	2.4
367.22751	3.8
403.24539	3.5
441.26385	3.3
519.41901	5.6
529.38855	3.5
537.41479	2.7
593.45514	10.4
609.44781	5.7
611.46716	85.6
701.48157	4.5
755.51025	5.8
773.51538	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	772.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.0
55.05521	20.4
57.03448	16.2
59.04996	2.6
61.02930	2.8
65.03931	2.8
67.05174	3.7
67.05516	69.4
69.03439	1.9
69.07076	19.6
69.33638	8.0
69.34068	9.7
71.01350	3.6
71.02943	2.0
71.04253	2.1
71.04997	4.5
73.02902	3.1
79.05058	3.5
79.05505	60.1
81.03427	25.6
81.03866	3.5
81.07064	61.4
83.04985	11.6
83.08620	10.7
85.02913	10.2
85.06544	4.3
86.09703	3.7
91.05488	33.9
93.07057	61.3
95.05003	11.2
95.08624	39.4
97.02903	9.7
97.06555	12.2
97.10173	4.2
99.04436	2.1
99.16068	1.8
102.51786	2.0
105.07046	18.9
107.04965	18.5
107.08609	30.3
109.06537	10.8
109.10165	17.9
111.04468	19.3
111.08067	4.9
117.07009	13.2
119.08585	20.7
121.06505	8.0
121.10144	23.1
123.08059	7.8
123.11711	4.6
124.99964	1.9
125.06005	6.1
125.09632	3.7
129.07008	6.4
131.08595	16.2
133.10143	12.1
135.08075	2.8
135.11711	21.4
137.09659	2.8
143.08540	3.7
145.10156	25.3
147.08089	2.8
147.11700	4.7
149.09668	3.0
149.13283	5.5
153.12767	7.6
155.08513	3.3
159.11696	6.3
161.13290	2.4
163.11220	28.0
163.14870	2.9
169.10107	2.2
173.09627	8.3
173.13266	6.3
175.14894	3.2
181.12286	4.7
184.07358	6.2
191.10670	8.0
209.11661	10.4
223.13242	19.0
227.12767	10.8
233.43552	2.1
241.14369	29.0
243.21034	3.4
261.22174	8.5
265.14340	5.7
283.15491	19.2
297.16962	3.8
299.23630	4.7
315.18063	44.3
321.30344	1.9
335.25851	100.0
336.26105	2.6
337.27557	2.5
440.22269	2.2
451.31927	4.2
525.35553	8.3
543.36835	62.2
544.37103	3.7
575.39465	95.9
576.39465	5.2
610.45599	12.1
772.50604	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	772.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45241	2.9
55.01875	19.1
55.05308	4.3
55.05522	49.2
55.82399	3.3
57.03447	19.5
58.06599	9.7
59.04996	7.3
59.29990	3.1
61.02903	8.3
63.75856	3.8
67.05167	6.2
67.05509	82.4
68.47437	3.6
69.03441	17.4
69.07073	42.5
70.06597	4.2
70.84999	6.5
70.85320	4.7
71.04991	11.8
79.05061	5.6
79.05503	86.1
81.03429	47.2
81.06581	5.0
81.07062	97.7
83.01357	8.6
83.04980	30.2
83.08620	37.4
85.02902	14.3
85.06550	5.3
86.09680	4.3
91.03992	5.9
91.04963	6.5
91.05489	70.8
93.06471	4.9
93.07053	82.0
95.04975	36.5
95.08627	43.2
97.02886	13.2
97.06535	19.9
97.10144	20.5
99.04438	4.9
103.05476	5.5
105.07044	57.3
107.04939	21.0
107.08607	56.4
109.02871	8.1
109.06526	14.9
109.10178	18.1
111.04471	6.3
111.08083	7.9
112.22846	3.8
112.65755	3.6
115.05424	4.0
117.07014	25.6
119.08594	39.4
121.06488	12.1
121.10138	27.7
123.08083	17.6
125.06018	5.4
125.09616	17.0
129.07010	12.1
130.07736	4.2
131.08578	27.6
133.06506	9.2
133.10152	25.1
135.08031	14.6
135.11707	26.5
137.09639	6.8
141.07011	5.3
143.08533	8.3
145.10123	31.1
147.08060	8.6
147.11700	14.0
149.09622	19.2
149.13257	8.5
155.08640	4.5
157.10146	7.5
159.11723	14.1
161.09584	3.7
161.13324	4.6
163.11208	36.9
165.09085	5.2
173.09634	6.1
173.13220	3.4
175.11227	5.4
177.12683	4.2
181.12286	4.5
184.07332	4.7
187.11342	3.3
189.11229	13.0
191.10649	4.6
193.12196	16.3
209.11746	9.2
211.13312	23.2
223.13339	10.5
227.12775	31.3
239.17838	5.5
253.14165	3.8
255.15915	9.7
257.18893	7.9
267.15970	19.9
269.17487	21.5
273.18405	8.2
275.20142	38.9
283.15408	100.0
285.17004	16.1
291.19547	46.1
331.22693	4.6
349.23709	24.6
365.23279	16.1
437.25156	3.7
453.24786	6.9
463.26804	16.8
477.28549	77.8
539.33832	4.3
548.39276	3.7
557.34729	52.7
575.35809	35.4
690.93695	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	772.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	13.3
55.05516	26.0
57.03444	15.5
57.07084	2.7
57.69951	1.7
58.06603	6.7
59.05002	2.5
61.02930	2.4
65.03942	4.5
67.05508	54.4
69.03425	7.3
69.07070	17.4
70.06584	2.7
70.79190	5.1
71.01355	2.9
71.05007	8.9
72.04516	3.3
76.83135	1.9
79.05500	49.2
81.03424	20.6
81.07064	65.5
83.01356	5.9
83.04993	19.7
83.08634	18.3
84.08180	2.5
85.02918	11.8
85.06551	3.1
86.06075	7.4
86.09711	2.6
90.55323	1.7
91.03982	3.0
91.05489	46.6
93.07053	57.7
93.07626	3.0
95.04986	18.7
95.08615	25.1
97.02900	6.7
97.06532	13.1
97.10182	3.5
99.04440	4.1
99.08102	2.4
101.58989	2.0
101.59644	1.9
105.07037	29.6
107.04989	15.6
107.08606	34.5
109.06529	11.2
109.10172	15.1
111.04469	2.4
111.08086	5.1
117.07027	21.3
119.08579	21.4
121.06526	6.8
121.10155	18.9
123.04456	2.4
123.08098	11.5
123.11690	4.5
125.00028	2.2
125.06077	2.0
125.09625	2.0
127.03902	2.7
129.05531	2.5
129.07040	5.0
130.07779	3.3
131.08591	18.7
133.10141	21.6
135.08124	4.6
135.11716	24.2
137.09615	2.7
137.44157	1.8
142.07805	2.0
143.08572	4.5
145.06419	2.2
145.10136	21.2
147.08025	3.2
147.11711	8.9
149.09616	9.1
149.13297	9.5
153.12732	2.8
155.08638	2.9
159.11723	9.4
161.09596	2.1
161.13281	2.1
163.11197	27.1
173.09663	3.9
173.13286	3.4
177.12804	2.4
179.14357	2.1
181.12253	2.7
184.07353	8.5
191.10715	3.9
193.12271	4.1
195.13881	5.8
198.14955	5.2
209.11781	4.6
211.13321	3.9
227.12682	9.5
239.18121	2.9
247.20598	1.9
253.14532	2.3
255.15959	6.9
257.19189	4.0
267.15945	3.2
269.17499	28.8
273.18704	2.9
275.20132	13.1
283.15405	81.1
285.16901	2.4
291.19696	3.5
293.21066	2.0
349.23788	15.1
365.23251	2.7
459.27509	3.5
463.26910	20.7
477.28516	100.0
478.28726	4.5
557.34680	20.6
575.35767	10.3
610.43164	5.3
772.48407	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	771.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	1.6
55.05450	10.6
57.03374	4.3
57.07038	1.1
61.02862	14.7
61.03205	1.4
65.03882	2.1
67.05438	21.9
67.05821	1.3
69.03364	7.5
69.07002	9.9
71.01296	1.7
71.04932	2.0
73.02845	7.5
77.03891	0.7
79.05497	18.3
79.05912	0.9
79.06166	0.7
81.03416	4.1
81.07064	23.8
81.07504	1.7
83.04948	1.3
83.08627	4.8
85.02914	13.1
85.03378	0.7
85.06504	1.5
91.03962	7.1
91.05489	15.6
93.07052	17.7
93.99410	0.6
95.04893	2.4
95.08616	18.0
95.09180	0.7
97.02905	12.1
97.06438	2.7
97.10157	3.6
99.04394	1.8
99.08030	0.6
101.02387	3.0
103.05434	1.1
105.07044	15.1
106.07229	0.7
107.04884	1.8
107.08605	10.8
109.02847	0.9
109.06453	1.2
109.10171	7.0
111.04401	0.7
111.08090	1.3
115.03905	1.0
115.05415	1.9
117.07014	9.3
119.08585	14.9
121.10143	7.5
123.08051	1.4
123.11612	2.1
125.09551	1.7
127.03828	2.2
128.06242	3.5
129.06998	10.4
131.08572	14.9
133.06372	0.8
133.10130	9.0
135.07977	0.9
135.11722	4.8
137.13197	1.4
141.06987	5.5
142.07788	3.3
143.08574	13.0
145.10132	12.7
147.11682	7.4
149.02274	0.7
149.13214	1.2
153.06918	1.4
154.07744	1.2
155.07422	0.8
155.08566	10.5
156.09187	1.8
157.08974	1.0
157.10139	12.7
158.10767	0.7
159.08014	0.7
159.11699	8.6
161.13289	3.4
163.03848	0.6
163.11095	0.7
163.14783	0.7
165.06941	1.1
166.07704	0.8
167.08569	4.8
168.09279	1.4
168.72432	0.6
169.08771	1.0
169.10133	13.8
170.10808	1.0
171.07993	0.6
171.11723	10.8
173.13254	5.8
175.14798	1.7
177.16231	0.6
178.07681	1.1
179.08577	2.9
180.09203	1.1
181.08723	0.7
181.10135	8.5
182.10812	1.7
183.10252	1.0
183.11707	13.7
184.12376	0.9
185.11858	0.7
185.13271	7.9
187.14864	3.0
189.16348	1.4
193.10115	2.8
195.11714	8.7
197.13275	9.0
198.13885	0.7
199.11217	0.8
199.13203	0.8
199.14819	6.0
200.15173	0.6
201.16356	2.1
205.10085	1.4
207.11697	3.2
209.13290	7.2
211.14853	6.6
211.89336	0.6
213.16502	3.1
215.17842	0.7
219.11607	1.6
221.11311	0.6
221.13234	3.5
223.14917	5.8
225.16438	4.5
227.14247	0.6
227.17853	2.0
233.13139	1.5
235.14650	1.8
237.16405	3.6
239.17841	2.4
241.19641	1.0
247.14810	1.6
249.16275	1.8
251.17941	2.9
253.19342	1.9
257.18991	0.9
261.16296	0.8
263.17789	1.6
265.19464	1.3
269.18930	0.9
271.20514	0.8
275.17709	0.8
279.21039	0.9
283.20380	0.6
293.11020	0.6
293.22476	0.7
307.20377	0.6
309.22076	1.3
311.23801	0.9
313.25360	0.7
321.22238	0.7
323.23752	1.4
335.23434	1.0
337.25153	1.5
339.23013	0.8
349.25284	1.1
351.26773	1.4
353.24606	1.0
363.26901	0.9
365.28455	1.1
367.26471	1.0
381.91330	0.7
383.29169	0.8
391.25677	0.8
391.30222	0.9
407.29514	0.8
447.32407	1.1
449.34387	0.8
461.33163	0.7
499.39676	1.3
501.35837	0.7
515.37567	0.9
517.40588	6.5
527.37427	1.0
535.41547	3.4
539.37213	1.9
540.38470	0.6
541.38934	1.1
553.38452	0.7
555.40637	0.8
591.44067	6.8
607.42749	2.8
609.45154	100.0
610.45465	5.7
621.44720	2.1
633.44971	0.9
651.46375	1.2
699.45642	1.1
717.48102	1.3
735.48395	1.5
753.49658	1.3
771.50439	20.8
772.50702	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	771.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	1.7
55.02057	0.9
55.05431	9.4
55.05732	1.9
57.03355	3.7
57.03658	1.2
57.07011	1.2
61.02840	14.2
61.03184	2.1
65.03883	1.1
67.05411	21.3
67.05812	3.0
69.03336	8.1
69.06973	9.1
69.07381	1.1
69.26679	5.8
71.01292	1.1
71.04928	1.2
73.02821	7.7
73.03264	1.0
77.03876	0.5
79.05392	16.5
79.05896	1.5
81.03315	3.2
81.06956	21.4
81.07488	1.9
83.04872	1.7
83.08522	5.7
85.02800	12.6
85.03364	1.2
85.06441	1.6
91.03853	6.4
91.05374	14.9
92.03184	0.5
93.06940	17.3
93.07575	1.1
95.04854	2.2
95.08499	18.0
95.09158	1.3
97.02784	12.8
97.06420	2.2
97.10056	2.3
97.10648	0.9
98.20721	1.3
99.04353	1.0
101.02272	2.3
103.03857	0.6
103.05316	0.6
105.07034	14.5
107.04904	1.3
107.08604	10.9
109.02773	1.5
109.06443	0.9
109.10041	7.8
109.10835	1.3
109.19791	0.5
111.04369	1.1
111.08002	1.3
115.03858	1.0
115.05334	1.6
116.84605	0.5
117.07014	8.1
119.08591	12.0
121.10150	7.8
123.07990	1.0
123.11630	1.3
125.09486	1.9
127.03809	1.9
128.06215	3.6
129.07011	10.2
130.07671	0.7
131.08574	13.3
133.10141	9.1
135.11667	4.6
137.09560	1.1
137.13168	0.8
141.06990	5.8
142.07742	3.1
143.08569	11.7
144.09270	0.9
145.10123	12.2
147.11710	5.5
149.13141	2.0
153.06908	1.9
154.07686	0.8
155.08559	10.2
156.09203	2.0
157.10132	11.6
158.10762	0.6
159.11714	9.2
161.13159	2.1
163.14745	0.8
165.06950	0.8
167.08571	4.2
168.09186	2.0
169.10133	12.9
170.10577	0.7
171.11707	10.6
173.13257	4.2
175.14857	1.4
179.08487	2.1
181.10153	7.5
182.10782	1.3
183.11703	11.4
185.13275	7.4
187.14877	2.9
189.16203	1.0
193.10138	2.9
194.10818	1.2
195.11707	8.3
196.12392	0.7
197.13283	9.5
199.13147	0.7
199.14877	4.9
200.15324	0.7
201.16318	1.1
205.10027	1.0
206.10736	0.7
207.11732	3.4
208.12444	0.8
209.13260	6.1
211.14848	5.9
213.16367	3.4
215.17862	0.6
219.11627	1.3
219.13872	0.5
221.13148	2.2
223.14816	4.1
225.16406	3.8
227.18149	2.6
233.13120	0.9
235.14857	2.6
237.16461	2.8
239.14110	0.7
239.17824	2.0
245.13356	0.6
249.16194	1.9
251.17862	2.1
253.15808	0.7
253.19548	0.9
257.19147	0.8
265.19370	1.3
275.17963	0.7
277.19193	0.8
279.21051	1.0
291.20978	0.7
297.22076	1.1
299.23514	0.7
307.20313	0.6
309.21899	0.9
311.23596	0.9
315.23370	0.8
321.21918	1.1
321.25610	0.6
323.23447	1.0
325.21539	0.7
327.23340	0.8
337.25046	1.5
347.23755	0.7
349.25223	1.4
351.22717	0.6
351.26733	1.7
355.26242	1.5
361.25009	0.6
363.26779	0.9
365.24277	0.6
365.28506	1.8
379.25937	1.0
381.27884	0.8
391.30112	1.0
393.31647	0.7
405.31946	0.7
421.30899	0.8
435.32535	1.1
447.32617	0.9
461.33936	0.8
473.33023	0.6
499.39777	1.0
501.36066	1.5
503.35358	0.7
513.35974	0.8
515.38055	1.4
517.40332	7.1
525.35419	0.8
527.37439	1.6
535.41418	2.6
539.37567	2.4
541.38867	1.2
543.36755	0.7
553.40894	1.0
555.41766	0.8
573.43506	0.8
591.44250	6.7
607.43811	1.9
609.45148	100.0
610.45386	6.1
611.47467	1.1
621.45203	1.1
651.45984	1.3
717.47394	0.9
735.48712	1.0
753.49500	1.6
771.50452	20.0
772.50372	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	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	11.1
55.05518	31.4
57.03435	15.8
59.04984	3.2
61.02918	6.1
65.03945	5.8
67.05507	94.6
69.03445	8.2
69.07079	29.1
71.01330	3.6
71.04985	6.0
71.59374	4.9
76.53297	3.2
79.05499	100.0
81.03418	14.8
81.07057	80.1
83.04978	19.9
83.08631	15.0
84.59360	3.7
85.02868	5.2
85.06512	5.5
91.05485	84.1
93.07050	99.0
95.04973	26.5
95.08607	35.5
97.02912	6.9
97.06535	12.4
97.10217	7.5
99.04536	4.2
105.04486	3.6
105.06374	6.1
105.07036	65.4
107.04958	10.2
107.08607	47.7
109.06525	14.4
109.10167	17.5
111.08092	7.3
115.05469	3.2
117.07033	19.7
119.08595	44.6
121.06524	6.2
121.10141	13.6
123.08067	8.2
125.09629	5.5
128.06244	5.3
129.07039	17.5
130.70927	3.7
131.08588	20.9
133.10138	36.4
135.08035	4.7
135.11676	15.6
141.07016	3.9
143.08528	17.4
145.10103	32.3
147.11697	32.3
149.09627	10.0
149.13235	4.0
151.11224	4.5
157.10115	8.1
159.11708	15.5
161.09567	5.8
161.13187	17.3
163.11169	12.6
169.10181	5.7
171.11728	24.2
173.09547	3.4
189.12753	8.5
195.11655	4.0
199.88731	3.8
207.13835	25.4
227.12807	12.9
253.14355	9.6
255.15834	5.8
257.19086	10.0
269.17477	13.2
273.18372	7.3
275.20026	35.5
281.17502	63.6
283.15396	15.9
287.20511	3.7
291.19397	16.6
349.23703	22.3
365.23218	7.8
461.28946	27.1
475.30563	56.7
515.34113	4.6
541.35309	5.6
542.73688	4.0
555.36908	38.7
573.34448	10.9
608.44025	7.9
626.56128	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	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.0
55.05518	20.3
57.03451	10.3
58.20207	1.1
65.03954	2.1
67.05510	59.1
68.05833	1.1
69.03430	3.8
69.06727	1.4
69.07076	15.9
71.04989	4.6
71.59277	1.7
72.92384	1.3
79.05499	69.4
81.03435	10.1
81.07064	60.0
81.07434	0.9
83.04974	12.2
83.08625	11.0
85.02914	3.8
85.06548	4.0
91.04901	1.2
91.05488	55.4
93.07050	59.3
95.04980	16.6
95.08617	28.1
96.90765	1.1
97.02885	4.0
97.06541	13.8
97.07532	1.1
97.10181	3.9
99.04494	1.6
99.08108	2.5
105.04520	2.1
105.07036	44.9
107.04970	5.3
107.08602	25.3
109.02871	2.6
109.06551	7.5
109.10164	9.5
111.04485	1.3
111.08098	2.8
115.05451	2.4
117.07034	12.4
119.08586	29.1
121.05746	1.2
121.06515	5.7
121.10154	10.3
123.08058	4.3
123.11738	2.8
125.09663	1.8
127.03935	1.4
128.06248	2.0
129.07013	12.0
131.04941	1.4
131.08575	8.5
133.10139	19.4
135.08116	3.0
135.11714	9.7
137.09561	1.6
141.06976	1.9
143.08604	7.7
145.10139	14.0
147.08028	1.6
147.11699	29.3
149.09634	4.6
149.13287	5.9
151.11177	4.0
155.08702	1.6
157.10217	2.0
159.11681	6.9
161.09651	4.2
161.13257	7.4
163.11214	5.9
169.10098	2.3
171.11720	16.4
173.04561	2.0
173.13249	2.8
177.12741	3.0
179.14363	2.5
183.11761	1.4
184.07430	1.6
189.12843	6.3
195.13887	3.8
207.13821	18.0
227.12860	3.1
239.17882	2.0
253.14336	9.5
255.16006	5.9
257.18985	4.0
269.17499	13.7
275.20023	15.0
281.17484	43.5
283.15427	4.5
349.23779	9.9
365.23196	2.6
367.24481	2.2
449.50375	1.3
461.28891	19.3
475.30585	100.0
476.30719	4.0
555.36890	19.8
573.36816	4.1
578.05164	1.3
619.34473	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	770.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.7
55.05513	31.0
55.65670	1.9
56.52234	2.3
57.03448	10.1
57.53326	1.9
61.02934	2.0
65.03937	4.5
67.05509	80.7
69.03422	5.7
69.07072	33.2
71.04990	6.8
71.60311	4.1
73.02853	2.1
79.05496	98.0
81.03416	17.9
81.07060	82.3
83.04995	19.5
83.08621	18.9
85.02913	4.8
85.06529	5.8
86.09718	4.0
91.04903	2.4
91.05485	81.0
93.07050	100.0
94.07368	2.7
95.04986	23.9
95.08609	43.6
97.02872	3.6
97.06525	17.6
97.10155	10.1
99.04456	2.7
99.08061	2.5
99.58623	2.1
105.04523	3.8
105.07036	55.0
107.04948	16.7
107.08604	37.4
109.06517	8.4
109.10158	13.4
111.08094	4.3
111.84365	2.2
115.05486	3.7
117.07021	26.1
119.08596	36.1
121.06473	4.9
121.10141	16.1
123.08087	6.1
123.11685	3.1
125.09628	5.1
128.06160	2.5
129.07008	17.0
131.07877	1.7
131.08604	18.4
132.09380	2.7
133.10130	26.3
135.04359	2.3
135.08031	5.8
135.11710	13.2
141.06970	4.2
143.08566	12.6
145.10132	21.1
147.08011	3.3
147.11700	40.4
147.26202	1.9
149.09624	15.2
149.13258	6.7
155.08510	3.0
157.10144	6.5
159.11702	15.3
161.09601	5.5
161.13281	14.1
163.03967	11.6
163.11188	12.2
165.09131	3.1
169.10011	3.3
171.11667	29.5
173.13268	4.8
184.07426	4.4
189.11211	3.7
189.12758	11.7
195.13737	2.9
207.13821	25.8
212.13141	2.1
225.14928	2.5
227.12787	10.5
229.19551	2.5
239.17822	2.6
254.14462	2.3
255.15973	10.6
257.19073	11.6
267.16071	2.1
269.17499	15.1
275.20062	36.9
281.17474	72.9
282.17487	2.4
283.15460	4.2
333.24286	4.0
349.23761	19.3
435.27209	2.8
451.26956	2.1
451.55069	2.2
461.29062	28.0
475.30600	97.5
476.30789	3.5
537.35730	3.1
552.66193	2.7
555.36798	44.3
556.36835	2.8
573.37402	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	768.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	2.5
55.05518	37.9
57.03449	14.1
57.07079	10.1
61.02929	5.1
65.03930	4.2
67.05513	83.4
69.03430	2.4
69.06721	2.3
69.07078	44.4
70.42500	1.5
70.89735	1.6
70.90074	3.1
71.04999	2.8
71.08631	4.3
74.44177	1.7
79.05501	41.4
81.07066	100.0
83.04942	2.2
83.08627	23.6
85.02896	3.7
85.06559	3.5
85.10191	2.1
91.05491	22.8
93.07059	44.2
95.04995	2.8
95.08620	70.5
97.02889	2.7
97.06517	4.8
97.10184	13.1
99.08124	3.1
105.07045	13.9
107.08611	28.3
109.10165	29.7
111.08075	4.0
111.11745	5.6
117.07035	3.1
119.08605	11.9
121.10152	28.2
123.11753	10.4
125.09643	2.7
131.08582	6.3
133.10167	11.4
135.11705	18.5
137.13284	4.8
139.11205	2.2
145.10133	5.2
147.11693	8.8
149.13274	12.7
151.14783	3.1
157.10182	2.0
159.11713	6.8
161.13274	7.2
163.13484	1.6
163.14851	5.0
164.10399	1.6
173.13257	5.3
175.14857	3.3
177.16443	1.7
187.14836	2.2
195.00323	3.6
215.18044	3.0
217.19485	4.6
218.25281	1.6
219.21095	2.0
235.20654	3.8
237.22096	3.2
243.21156	6.3
245.22627	2.6
261.22205	20.8
268.60001	1.8
309.24277	42.8
311.22153	3.4
311.25809	66.9
312.25967	2.0
317.24893	4.6
335.25839	57.7
337.27411	41.6
339.28839	3.3
361.44669	1.8
497.43503	3.5
557.19061	1.6
571.47302	46.9
572.46771	2.1
589.48358	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	770.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	8.9
55.05519	31.6
57.03438	14.4
57.07063	1.5
57.27796	1.4
59.04994	3.0
60.87516	1.4
61.02913	4.7
65.03925	2.5
67.05166	2.8
67.05511	46.6
68.86290	1.6
69.03451	10.4
69.07075	27.3
71.04992	5.2
73.02905	3.2
79.05502	56.6
81.03433	15.8
81.07065	46.5
83.01328	5.8
83.04996	17.5
83.08621	19.0
85.02905	6.4
85.06561	3.4
86.09702	2.1
91.05485	41.9
93.07049	52.9
95.04974	18.0
95.08614	28.6
97.02902	15.9
97.06535	7.2
97.10171	12.7
98.20725	4.5
99.04488	3.5
105.07035	33.0
107.04967	16.0
107.08609	23.7
109.06512	10.3
109.10159	12.3
111.04430	2.0
111.08028	3.3
115.05474	3.9
117.07032	19.2
119.04892	1.9
119.08595	24.9
121.06516	6.5
121.10164	13.9
123.08068	11.1
124.99975	1.7
125.09615	8.8
128.06223	3.6
129.07014	10.9
130.07722	1.9
131.08571	15.3
133.06512	4.1
133.10139	14.1
134.25150	1.7
135.08055	4.9
135.11751	10.7
137.09650	2.9
139.07639	1.7
141.06966	3.0
143.08568	10.2
145.06450	2.2
145.10133	23.1
147.08023	4.5
147.11694	11.3
149.09616	5.0
149.13260	2.8
151.11172	1.8
153.12755	2.6
155.08525	4.4
155.71042	1.7
157.10161	6.2
159.11708	6.9
161.09636	4.9
161.13356	2.3
163.11188	21.2
165.09111	2.5
167.08664	1.8
169.10173	3.0
171.11696	10.1
173.09628	2.5
173.13313	3.9
177.12784	2.2
181.10136	2.0
181.12192	3.2
183.11668	2.7
185.13312	2.8
187.11209	2.8
189.11229	3.5
189.12750	2.5
191.10756	2.6
195.13847	2.0
197.13281	2.2
205.12251	3.0
207.13765	4.8
209.11736	4.3
223.13327	14.0
227.12807	9.6
249.14763	2.4
253.14366	3.0
257.18973	6.5
269.17630	2.0
273.18503	12.0
274.45428	1.7
275.20163	10.6
281.17520	18.2
283.15433	76.9
291.19562	100.0
293.21045	2.0
314.58456	1.6
349.23660	6.4
365.18979	3.2
365.23273	45.7
366.23578	2.5
432.61533	1.7
461.28928	4.2
475.30405	5.2
493.27930	2.6
503.40790	1.7
555.37323	14.5
573.34271	91.1
574.34412	3.6
608.43951	10.4
664.82196	1.9
770.49634	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	768.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.4
55.05258	1.5
55.05516	18.4
57.03451	4.5
61.02925	1.1
65.03925	2.0
67.05512	37.1
67.05875	1.9
69.03438	5.6
69.07076	20.5
69.16894	0.8
69.32568	3.0
69.32998	5.3
69.38764	0.9
71.04993	2.2
72.08148	3.6
79.05499	43.9
81.03424	9.7
81.07063	32.1
83.04985	8.3
83.08622	7.4
85.02914	2.0
85.06540	2.8
91.05487	35.1
93.07053	35.4
95.04974	13.9
95.08621	16.5
97.02895	7.0
97.06535	4.0
97.10172	10.2
98.21590	1.6
105.07040	24.5
107.04966	7.0
107.08604	13.6
108.08863	0.9
109.06535	6.6
109.10177	8.6
111.08069	2.1
114.72682	0.8
114.95770	0.8
115.05483	1.4
117.07033	9.0
119.08594	21.7
121.06531	3.4
121.10114	5.3
123.08073	4.5
125.09644	7.0
128.06294	2.0
129.07019	8.9
131.08560	7.1
133.06480	2.6
133.10129	7.7
134.07268	1.0
135.08040	2.8
135.11673	2.3
137.09654	1.6
141.07021	0.9
143.08582	7.2
145.10150	9.6
147.08080	4.9
147.11699	19.0
149.05901	0.8
149.09653	1.4
149.13290	1.1
157.10124	1.6
159.08118	1.2
159.11760	2.2
161.09627	3.1
161.13266	4.7
163.11192	1.6
171.11696	13.2
173.13190	0.9
175.11209	1.7
177.12845	1.4
183.11792	1.2
189.11234	2.9
189.12770	5.2
205.12318	1.6
207.13840	13.9
223.13277	10.9
225.14775	1.1
227.12874	4.2
231.17630	1.2
237.16417	1.1
245.18967	1.1
249.14862	1.4
255.17491	1.0
273.18481	10.5
275.20047	1.2
281.17508	44.0
282.17719	1.6
291.19556	73.4
292.19794	2.1
347.22253	2.8
365.23282	26.6
451.26883	1.5
473.29007	2.9
491.29947	1.4
553.35260	3.0
571.36328	100.0
572.36670	6.4
607.43451	2.2
733.46716	1.2
744.93146	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	766.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05258	1.5
55.05518	25.8
57.03445	15.6
57.07088	7.0
58.06601	2.5
61.02927	4.0
65.03938	2.5
67.05511	87.7
69.03430	1.8
69.07072	30.7
71.04992	4.1
71.08653	3.1
71.59592	2.0
73.02918	1.6
75.30231	0.9
79.05501	47.2
81.07064	100.0
83.04985	2.6
83.08624	15.5
85.02912	3.9
85.06542	3.4
85.10191	1.7
91.03977	1.9
91.05487	31.2
93.07053	48.7
95.04971	4.5
95.08615	67.9
97.02907	2.5
97.06539	5.9
97.10159	6.7
99.08097	5.8
105.07040	21.7
107.08610	26.6
109.06532	2.2
109.10166	26.1
111.08115	3.6
111.11732	1.7
113.09640	2.6
117.07014	5.9
119.08595	17.9
119.09380	1.0
121.10149	22.5
123.08099	3.0
123.11728	14.7
125.09631	2.5
131.08578	10.8
133.10144	16.8
135.11696	24.1
137.09656	1.7
137.13254	6.0
143.08598	1.9
145.10124	8.9
147.11699	12.6
149.09511	1.0
149.13278	12.3
151.11163	1.7
151.14803	2.5
155.87872	1.1
157.10167	1.7
159.11728	7.9
161.13284	9.2
163.11255	1.8
163.14841	4.7
165.16402	1.1
167.45154	1.0
171.11739	2.5
173.13239	5.7
174.62315	1.0
175.14868	5.4
177.16443	2.7
184.07394	2.5
184.99782	1.1
185.13268	2.1
187.14835	4.5
189.16385	1.8
191.17938	1.6
195.00485	1.1
199.14923	1.5
205.19640	1.4
215.18037	5.7
217.19505	9.2
219.21089	1.3
231.17587	0.9
233.19020	3.8
235.20631	8.1
241.19475	1.5
243.21033	5.5
259.20621	4.0
261.22153	17.0
307.22681	3.0
309.24258	92.2
310.24649	1.9
311.25787	6.0
315.23059	1.3
317.24805	4.1
333.24326	2.9
335.25833	88.3
336.26077	2.0
337.27374	6.1
357.31512	1.3
495.41821	3.4
503.37216	1.5
513.43225	1.3
518.24225	1.1
569.45746	27.3
570.45996	1.5
587.46741	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	766.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
55.05516	11.3
57.03435	2.4
57.07064	6.7
58.03396	1.5
59.04997	1.7
66.00633	1.8
67.05507	15.4
69.03419	9.7
69.07071	21.2
70.99864	1.7
71.00174	4.1
71.05012	2.9
77.03889	1.8
79.05498	16.4
81.07066	29.8
83.04964	3.6
83.08624	14.9
85.02907	10.6
85.06538	3.6
87.00830	5.9
91.05481	25.0
93.07054	34.4
93.64101	2.1
95.04960	5.1
95.08612	46.6
96.37058	2.0
97.02897	31.3
97.06533	10.2
97.10146	5.3
101.02399	5.4
103.05463	3.7
105.07037	56.7
107.04987	2.5
107.08602	59.0
109.06520	3.4
109.10165	33.6
111.08068	2.7
113.02390	6.4
115.03925	8.1
115.07589	13.2
117.07041	10.9
119.08588	79.5
121.06497	5.3
121.09300	3.5
121.10151	53.5
123.08079	4.5
123.11741	11.5
125.02351	3.3
127.03898	2.3
128.06219	6.7
129.07048	10.8
130.07762	4.0
131.04926	4.7
131.08577	42.9
133.06450	2.8
133.10143	66.6
135.08052	6.4
135.11708	30.8
137.09631	3.5
137.13242	5.4
141.06993	6.4
142.07809	9.2
143.03375	5.1
143.08560	36.2
144.09323	5.7
145.10133	92.8
147.08051	4.3
147.11694	39.6
149.09608	5.1
149.13280	16.9
151.11148	4.8
153.07016	2.1
154.07777	3.5
155.08551	23.8
156.09402	10.0
157.10132	56.6
158.10936	6.1
159.08040	3.8
159.11703	77.3
161.04451	9.7
161.09604	10.0
161.13255	32.0
163.03920	5.2
163.07629	2.2
163.11172	34.4
163.14813	9.6
165.12732	2.3
167.08607	6.7
168.09369	9.5
169.10176	23.7
170.10924	9.8
171.11700	42.1
172.12383	3.8
173.09665	5.3
173.13272	53.3
174.13751	2.4
175.11188	8.7
175.14845	26.1
177.12788	5.7
177.16402	32.4
181.10136	9.6
182.10907	11.3
183.11700	32.9
184.12427	6.4
185.13287	44.4
187.11305	10.3
187.14841	61.7
189.12808	11.6
189.16400	100.0
191.17943	21.9
195.11723	10.0
196.12523	2.2
197.13275	76.7
199.11122	9.5
199.14830	54.9
201.07544	4.9
201.12737	20.3
201.16402	43.6
203.14366	11.3
203.17970	7.9
205.12256	4.0
205.15891	89.9
207.11620	2.1
207.17459	8.8
209.13312	8.8
211.11284	5.0
211.14851	7.7
213.12759	5.9
213.16429	10.2
215.10889	2.3
215.14326	33.9
215.17879	15.8
217.12253	6.8
217.15891	6.8
217.19469	2.0
219.13844	4.5
219.17477	9.1
222.14008	2.0
223.14793	3.3
225.12741	4.2
225.16347	6.1
227.14255	2.7
227.17900	6.0
229.15990	2.6
229.19508	5.7
231.13762	10.6
233.11577	3.9
233.15399	4.6
233.19092	3.4
235.13300	4.9
237.16351	4.9
239.17976	2.3
241.19437	2.7
243.13863	13.1
245.15384	2.9
247.13181	3.8
249.16612	2.7
251.17957	5.8
251.31476	1.9
253.19592	2.1
259.13251	2.0
261.14746	10.8
287.56552	2.0
307.15378	2.7
309.18396	1.9
317.22379	2.6
319.15442	14.0
339.14365	6.8
349.12894	15.4
365.16052	11.9
377.15930	3.6
385.28870	7.3
387.30453	4.6
403.30063	24.6
405.31461	8.2
421.31039	27.8
431.29477	27.8
449.30548	67.5
450.30878	4.4
467.31601	32.0
468.31894	2.9
507.31119	31.2
508.30872	2.6
509.32315	3.2
525.32037	23.6
527.29364	3.1
535.30615	8.4
553.31641	87.9
554.31958	4.8
571.32745	22.6
581.34613	7.6
599.35425	7.3
645.36163	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	765.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56577	1.8
58.26983	1.9
63.91172	2.0
71.59744	4.1
79.05473	2.5
91.05487	2.9
92.73003	1.9
133.77332	2.1
159.11850	2.3
232.01456	2.3
292.07111	2.1
325.57272	2.4
326.53214	2.3
348.34357	2.0
365.23535	2.3
387.27963	2.6
407.22729	3.6
419.18570	3.6
420.23303	2.9
432.20410	2.2
433.20383	9.2
434.20865	3.6
447.22009	7.8
448.22726	6.3
459.22113	3.5
463.21622	4.9
466.53799	2.3
476.22275	3.2
477.23151	5.4
489.22711	2.6
535.26935	4.6
547.27209	4.2
549.25183	4.9
563.26532	38.2
597.38727	2.6
623.28680	18.4
705.18988	3.1
765.21515	100.0
766.21698	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	764.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
55.05262	1.7
55.05515	28.2
57.03441	17.3
57.07072	5.8
58.06605	5.7
61.02934	5.8
65.03951	3.3
67.05509	100.0
69.03444	2.8
69.07072	20.8
69.28741	5.9
69.29169	5.1
71.04995	4.1
71.08635	1.6
77.03951	1.4
79.05497	78.4
81.03412	1.5
81.07061	87.0
83.04994	2.7
83.08629	10.2
85.02905	4.3
85.06557	4.9
91.03958	1.6
91.05489	44.9
93.07050	84.0
95.04984	7.7
95.08612	72.9
95.09246	1.8
97.02919	1.8
97.06531	4.4
97.10176	5.0
98.21552	2.5
99.08112	3.2
103.05461	1.2
105.04524	1.1
105.07038	31.8
107.08604	39.0
109.06514	1.8
109.10161	30.1
111.08086	3.4
111.11691	1.3
113.09672	2.0
115.05487	1.2
117.07038	11.5
119.08598	24.7
121.10151	42.8
123.08159	1.9
123.11713	11.0
125.09646	2.1
129.07008	3.6
131.08578	22.4
133.10139	28.0
135.08072	1.9
135.11702	30.5
135.12708	2.0
137.12294	1.3
137.13274	4.8
139.11250	1.7
143.08592	4.7
145.10124	18.0
147.11693	17.7
149.09636	2.6
149.13272	14.4
151.11232	2.2
151.14825	1.5
157.10139	4.8
159.11710	15.8
161.13272	7.8
163.11151	1.9
163.14862	4.5
163.61208	1.2
171.11728	6.5
173.13271	12.7
175.14877	4.1
177.12698	1.2
184.07375	3.4
185.13283	3.5
187.14818	6.5
189.16306	2.1
191.14403	1.2
194.80457	1.1
199.14929	2.7
203.17931	1.7
205.19580	1.8
213.16466	5.4
215.17953	20.1
217.19623	1.9
218.31879	1.2
229.19568	1.5
231.17500	6.7
233.19035	14.7
235.20442	1.2
241.19554	2.8
243.21140	3.7
257.08978	1.1
259.20624	6.1
261.22174	13.4
274.48373	1.2
297.22180	1.1
299.23492	1.6
304.49469	1.3
304.99561	1.2
305.21170	2.5
307.22699	77.0
308.23013	3.0
309.24350	5.2
317.24756	3.9
333.24274	2.8
335.25827	77.0
336.26105	3.3
337.27261	6.7
475.39191	1.3
493.40552	2.7
567.43994	19.9
585.45135	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	763.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
65.03954	1.3
67.05510	2.9
69.31873	2.2
69.32285	7.2
70.06609	5.3
72.15063	1.2
79.05502	15.2
80.05027	4.2
81.05814	3.7
81.07097	1.7
82.06602	1.8
85.02937	1.0
85.06564	1.8
89.03939	1.5
91.05490	5.0
93.07050	11.9
94.06582	10.1
94.07382	1.5
95.04973	2.3
95.08617	1.5
96.08150	14.1
97.20514	0.9
103.05462	6.3
105.05792	2.4
105.07049	1.7
106.06567	1.1
107.08636	1.9
108.04477	5.7
108.08156	10.4
108.08890	1.9
110.09721	1.0
116.04973	1.6
118.06560	3.0
119.07330	2.0
119.08613	1.4
120.04488	3.0
120.08117	41.4
122.06049	11.4
122.09678	2.1
122.70336	1.0
124.07615	20.0
125.06090	1.1
131.08601	2.5
132.08073	2.1
133.10130	1.5
134.06039	1.9
135.11720	6.8
136.07602	15.9
136.12035	1.3
137.06003	1.3
138.05490	4.8
138.09169	3.0
144.04459	3.6
145.10136	1.3
146.06038	9.8
148.07588	98.0
149.07893	1.3
149.13316	1.1
150.05505	2.0
150.09171	1.4
152.07088	42.1
159.11784	1.1
160.03955	2.2
160.07492	1.7
162.05553	3.6
162.09085	1.2
163.03973	2.9
164.07082	2.0
166.05040	3.1
166.08675	6.8
168.06549	5.1
172.03952	18.9
174.05527	9.2
176.07048	1.6
177.12793	1.7
180.06647	2.6
186.05574	1.7
186.09195	1.3
188.07124	4.4
190.05035	13.1
192.06633	1.6
194.08446	1.2
195.13837	4.6
196.14180	1.4
197.10826	1.5
198.09258	1.6
198.11592	1.4
199.08617	3.2
200.09319	1.2
202.05013	1.5
204.06596	24.7
206.08180	4.0
207.09167	8.7
208.09874	3.9
209.10635	1.2
210.11845	1.7
211.08684	4.0
211.12292	1.2
212.09279	1.2
212.11046	1.2
213.10228	3.7
215.12074	1.5
221.10718	10.2
222.07790	1.4
222.11479	2.2
223.08664	2.0
223.12267	5.9
224.09209	6.5
225.06686	1.8
225.10272	7.6
226.10973	1.4
227.08203	10.8
227.12631	3.6
228.08958	2.5
228.13168	2.4
229.09868	1.4
229.13542	1.7
235.08717	3.7
236.09485	13.4
237.10281	8.7
238.11061	2.8
239.08203	3.5
239.11832	3.9
240.09015	3.3
241.09772	3.3
242.10315	1.2
243.11435	3.7
248.05603	11.8
249.10246	7.7
250.08464	1.1
250.11159	1.5
251.08273	3.0
251.11862	6.8
252.08714	25.6
253.09769	9.6
255.11348	5.8
256.08121	1.2
259.10898	2.4
263.08191	2.7
264.08960	11.7
265.09702	11.3
267.07736	2.1
267.11331	7.3
268.08478	1.7
269.09256	2.1
269.12866	1.3
273.08725	1.5
273.12399	2.1
277.09814	3.9
278.10504	3.0
279.08212	2.3
279.11243	13.1
280.08588	1.4
281.09180	10.0
283.10825	5.0
285.08829	3.5
285.12387	7.6
286.09189	2.5
287.10309	11.6
293.09335	7.7
295.10843	21.0
296.11325	1.8
297.12329	10.1
298.10800	1.7
299.10324	23.8
299.13635	0.9
301.11969	2.8
303.13309	5.1
307.10834	17.4
308.11389	1.2
311.10306	17.8
313.11862	5.1
321.08691	4.0
323.10297	100.0
324.10883	2.2
325.11896	4.6
327.09863	9.0
327.13318	1.5
329.11340	9.9
329.15024	1.5
333.14383	3.2
337.11896	1.4
339.09781	15.1
339.13593	4.8
339.17371	1.2
340.10168	1.2
341.11374	17.0
343.12933	3.5
343.16803	1.4
351.09811	1.1
353.11325	4.1
355.13159	2.4
356.13901	2.1
359.12396	6.2
361.14032	2.7
367.12988	1.7
369.10910	1.4
370.15427	1.2
371.12378	11.1
371.16492	2.0
373.13892	5.1
383.12546	1.2
385.14276	1.9
401.13419	1.7
406.17578	2.8
411.11813	14.4
415.14255	1.2
418.17548	1.8
428.16132	1.6
429.13226	1.8
430.17703	12.4
431.16342	1.6
434.17035	1.4
443.14664	3.3
446.17252	2.3
448.18732	3.9
456.16083	1.5
458.16980	4.3
462.16251	4.7
474.16650	18.0
476.18164	19.1
480.17596	2.1
490.19699	3.5
492.17548	11.0
494.19193	8.7
506.19406	12.5
508.20737	3.7
518.18982	5.0
522.22253	2.2
524.19952	4.5
534.18573	3.2
536.20270	3.8
538.18280	5.0
550.22107	16.2
552.19818	1.6
562.18176	8.2
566.21979	2.7
578.17731	17.1
579.17944	2.2
580.19312	42.4
581.18585	1.4
592.19287	1.5
594.20886	30.4
595.21173	1.9
609.23767	6.2
610.20404	3.6
612.21832	2.5
627.24316	4.5
641.26324	1.3
645.24359	1.5
695.23212	2.2
713.24591	12.5
731.25800	8.5
763.47559	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	763.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
59.68499	0.4
65.03916	0.6
67.05508	0.6
69.45126	0.4
70.06593	0.6
73.68067	0.4
78.66692	0.5
79.05495	2.3
80.05032	0.7
89.03918	1.9
91.05484	1.1
92.04975	0.6
93.07031	1.7
94.06564	2.7
95.04942	0.6
96.08128	2.5
96.12073	0.5
98.20689	0.8
103.05428	1.0
105.06988	0.7
106.06524	1.0
108.04499	0.7
108.08125	3.0
110.06059	2.9
113.83894	0.4
116.04993	5.4
118.06499	0.7
120.04477	1.6
120.08108	7.0
122.06040	19.0
124.07607	4.6
133.76463	0.5
134.05989	0.6
136.07588	17.3
138.05516	10.1
138.09129	0.7
140.70215	0.5
144.03377	0.9
144.04451	12.3
146.06003	4.2
148.07581	17.3
152.07080	8.2
159.11418	0.5
160.03943	1.6
161.44124	0.5
162.05528	4.7
163.03893	0.9
164.07034	1.2
166.08650	1.5
167.06984	0.5
172.03949	60.0
173.04337	1.1
174.05554	1.8
180.06577	26.4
181.04987	0.7
181.06773	0.6
182.07936	0.5
186.05595	1.4
190.04997	10.7
196.10004	0.6
198.07634	18.6
198.09142	1.0
198.11632	0.6
204.06580	100.0
205.07007	2.2
206.08145	1.9
207.09196	1.3
208.09877	1.3
209.10606	0.7
211.08600	0.7
211.12352	0.9
215.11923	0.7
221.10695	0.8
223.12292	1.8
224.09265	0.7
225.10228	1.2
227.08220	1.2
227.11887	0.8
235.08659	1.3
236.09451	2.8
237.10188	1.5
238.10947	0.7
239.08115	0.6
239.11696	0.6
241.09717	0.8
243.11224	4.0
249.10114	1.2
250.11055	1.7
251.11803	5.1
252.08708	4.1
253.09680	1.4
255.11334	1.4
263.08258	1.1
264.08905	2.8
265.09650	1.3
267.11264	0.9
278.10480	2.0
279.08374	0.7
279.11325	10.1
281.09265	1.2
283.10809	0.5
285.12329	5.2
293.09082	0.9
295.10745	2.5
297.12393	1.7
299.10284	1.1
303.13467	4.8
305.96033	0.5
307.10785	9.4
311.10809	2.4
311.13257	2.3
313.11993	1.3
321.14453	1.0
323.10287	11.9
324.10562	0.8
325.11984	5.0
327.13397	1.5
339.13431	23.4
340.13696	0.7
341.11298	1.0
343.13004	1.4
353.11362	0.6
359.12445	1.3
361.13867	0.9
367.12857	1.6
371.12222	1.2
373.13992	1.8
383.12732	0.5
385.14041	1.1
411.11902	33.6
412.12256	1.3
415.14716	1.0
429.12866	2.5
430.17435	1.3
443.14542	17.0
444.14923	1.1
448.18890	0.7
458.17459	0.7
474.16495	1.1
476.18015	1.9
488.18231	0.5
490.19580	1.0
492.17676	0.7
494.19424	0.6
506.19397	2.3
508.20660	1.2
518.19263	0.8
524.20099	0.9
536.20380	1.3
550.21869	2.8
562.17914	1.5
563.81110	0.6
566.21515	0.7
578.17957	2.2
580.19086	2.0
594.21167	5.2
610.20203	1.0
612.21777	1.4
624.21930	0.5
640.21722	0.6
687.26984	1.2
713.23737	0.6
731.25757	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	761.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
58.20730	1.4
58.99474	1.2
65.03944	1.3
67.05491	3.4
69.53154	3.2
69.53558	8.0
70.06564	1.2
79.05510	7.8
80.05012	2.3
81.07040	1.6
91.05470	5.8
93.05839	1.5
93.07062	8.0
94.06563	8.0
96.08147	1.8
99.19050	1.2
103.05463	5.1
105.07047	1.4
106.06552	1.8
107.07334	5.8
108.08134	14.6
110.09674	3.0
116.78754	1.3
118.06542	2.3
119.04871	1.4
119.07376	1.5
120.08115	36.7
122.06039	19.2
122.09674	22.6
136.07584	26.7
138.05490	2.2
138.09158	3.2
141.35219	1.2
146.05969	1.9
146.09654	1.3
148.07584	63.5
149.07974	1.4
150.09146	23.4
162.05446	2.0
163.03967	2.4
164.07069	7.7
166.08617	6.4
172.03949	6.2
204.06610	12.5
207.09102	1.4
208.09647	1.7
209.10843	1.3
211.08574	1.7
211.12273	2.1
221.10774	4.9
221.71089	1.5
222.11452	4.4
223.08713	2.4
223.12329	7.5
224.09349	1.7
225.10236	2.9
226.11021	3.6
227.11749	2.8
234.11345	1.4
235.08667	9.0
235.12437	4.1
236.09425	5.9
237.10214	19.2
238.10939	7.9
239.11829	6.9
241.09785	1.9
243.11360	2.7
244.11662	1.9
247.08757	7.0
248.09470	9.2
249.10243	24.9
250.11017	25.4
251.08118	1.7
251.09076	1.8
251.11797	26.4
252.08727	5.2
252.12450	1.8
253.09750	3.4
253.13251	2.7
255.11382	2.5
261.10233	15.3
262.10919	10.2
263.08475	3.5
263.11816	69.6
264.08966	5.7
264.12335	6.9
265.09735	8.5
265.13318	8.1
266.10428	3.7
267.11298	5.2
271.10641	1.3
275.11835	2.9
276.09015	2.7
276.12576	1.7
277.09747	16.4
277.12701	2.3
278.10492	6.5
278.13080	1.4
279.08292	1.6
279.11270	40.2
279.14349	2.1
280.11923	3.4
281.12820	13.9
282.10092	7.5
283.10883	2.9
283.14316	5.3
284.11603	1.7
285.12427	11.6
287.13559	1.9
289.09708	9.0
289.12479	1.4
290.10498	8.4
291.11304	31.4
292.12015	4.8
293.09409	2.3
293.12811	9.3
294.10028	1.6
295.10721	8.6
295.13904	2.3
296.11606	4.4
297.12350	7.9
297.15289	1.4
303.11127	2.5
305.09323	2.9
305.12912	4.0
306.09937	1.3
307.10846	17.9
308.11469	2.3
309.12338	32.3
310.12814	3.1
311.10516	1.4
311.13913	5.0
312.14981	3.1
314.13043	1.8
317.09116	3.7
317.15015	2.5
318.09955	1.6
319.10782	10.2
321.12366	6.4
322.13046	2.8
323.10220	6.1
323.13885	25.9
324.14459	2.9
325.11969	6.4
327.13541	3.3
328.14282	12.7
329.15344	2.2
333.12384	2.1
335.10321	16.2
336.10968	13.5
337.11804	28.4
338.12347	4.0
339.13419	9.7
340.14371	6.4
341.15128	4.1
342.15942	5.2
343.16949	1.6
344.17862	1.6
349.11981	19.7
350.12402	1.7
351.13483	5.2
354.12329	2.1
354.16083	6.4
355.12915	23.2
355.16776	2.8
356.13962	6.6
356.17734	2.7
357.14450	16.6
358.15216	1.6
367.12900	26.7
368.13629	10.1
368.17493	2.7
369.14493	11.9
370.15405	5.8
370.19434	2.4
371.16080	4.5
374.14569	1.5
381.14435	3.9
382.15411	5.3
383.16064	3.6
384.16995	4.7
386.14594	1.7
387.15604	5.1
395.12534	4.6
396.17157	2.5
397.13547	2.7
398.14624	2.7
399.15427	2.7
400.16165	1.7
402.18210	2.2
409.14001	11.0
410.14981	2.2
413.13239	1.9
414.18112	4.0
415.14941	5.8
416.15677	2.0
424.16541	2.8
426.49451	1.4
427.15054	13.0
428.15982	3.6
442.17920	6.9
443.14520	4.8
445.19998	3.2
460.18527	1.9
470.17166	4.3
471.18088	2.0
472.18576	1.9
474.19888	2.3
475.16620	1.6
476.21494	1.5
478.19577	1.8
490.19763	6.3
502.19678	11.4
503.20041	1.7
504.21191	4.4
520.20587	5.0
522.22162	3.5
530.19232	3.1
531.20465	2.4
532.20831	4.2
534.21985	4.1
544.20764	2.4
546.84149	1.6
552.23322	5.5
562.21844	28.6
563.22534	4.1
564.23438	8.5
574.17975	5.3
575.19147	8.3
576.19720	21.0
588.19476	3.8
589.20520	2.3
590.21136	2.2
593.23163	2.5
594.25000	7.4
606.20837	100.0
607.21686	29.9
608.22375	81.3
609.22449	4.4
610.41492	1.5
620.22614	1.9
625.26361	1.7
638.23456	83.0
639.23724	8.4
643.27246	1.4
685.27533	2.4
697.25092	10.0
729.27405	9.2
761.39142	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	761.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51609	0.8
70.06600	1.2
73.84295	1.0
79.05487	3.0
80.04990	1.0
91.05465	2.1
93.07056	2.7
94.06570	3.0
103.05461	2.5
108.08109	5.0
116.05016	0.9
118.06564	1.7
118.86919	0.9
120.04468	2.2
120.08111	13.6
122.06057	9.4
122.09646	1.8
124.96545	1.0
136.07594	9.2
138.05550	1.1
138.09113	1.1
144.04419	1.6
146.06084	2.0
148.07584	20.7
149.27043	0.9
150.09155	1.4
152.07069	1.7
163.03943	1.8
164.07068	3.1
166.08623	3.2
172.03976	5.0
180.10172	1.7
184.10005	1.0
190.04994	3.0
197.10736	1.8
204.06557	10.0
206.08176	0.9
208.09778	1.3
211.12105	1.2
212.09476	1.2
223.08807	1.3
224.09320	1.2
224.12947	1.0
225.10251	5.3
227.11780	2.5
229.19994	1.0
234.11415	1.0
235.08566	1.3
235.12248	1.0
236.09383	1.7
237.10286	6.4
238.10927	1.8
239.08205	1.0
239.11877	3.0
241.09671	1.3
248.09415	1.4
249.10252	5.5
250.07260	0.9
250.10919	2.4
251.08182	2.9
251.11757	4.7
252.08849	1.5
252.12338	1.2
253.09805	4.3
255.11310	2.2
261.10242	2.8
263.11823	2.7
264.08936	1.9
265.09738	6.5
266.10413	2.8
267.11255	4.2
269.12842	2.1
271.05957	1.9
271.10690	3.0
272.06393	1.3
277.09738	4.1
278.10541	2.5
279.07663	3.0
279.11292	9.1
280.11871	2.2
281.09244	2.2
281.12897	2.0
282.10071	1.1
283.10791	5.4
283.13919	1.7
284.11716	1.3
285.12335	2.5
287.13968	1.7
289.09720	4.7
291.11270	3.1
293.09265	5.6
293.12921	2.6
294.09778	3.2
295.10648	4.0
296.11603	1.2
297.12314	3.0
299.10361	1.7
299.13776	1.7
305.09238	1.1
306.09784	1.8
307.10773	3.6
308.11572	1.5
309.12332	2.5
311.10526	6.0
311.13727	1.7
312.10928	2.4
313.11884	2.8
323.10352	1.8
323.13913	1.8
324.11029	1.5
325.11655	2.2
326.12863	4.2
327.13312	7.8
328.10736	1.2
328.14285	1.7
329.14847	1.4
330.16150	1.1
335.10306	6.6
337.11691	1.2
339.10132	1.4
339.13397	31.8
340.10339	2.0
340.13953	1.1
343.13077	2.2
349.12021	1.2
352.10330	1.7
353.10864	1.1
353.14972	1.7
354.12140	4.0
354.15964	1.2
355.12820	8.5
356.13989	1.9
357.14600	1.3
358.15552	1.3
367.12939	13.3
369.14200	1.1
371.12286	2.9
385.13953	1.2
386.14746	2.1
387.15482	3.5
398.14783	2.2
399.15628	5.9
400.16199	1.7
414.18314	1.1
416.16003	2.8
440.15668	1.2
442.17737	2.0
446.17288	1.9
454.14410	1.4
458.16754	1.8
460.18353	1.1
472.14722	4.4
474.20264	1.5
489.18591	1.1
490.19305	1.8
502.19751	2.8
504.17764	1.7
521.21515	1.2
530.18964	1.7
534.22424	1.7
552.23621	5.0
562.21722	6.4
594.24438	32.8
595.24451	2.7
606.20282	3.5
607.21478	1.7
611.24561	1.4
620.22443	1.4
638.23444	100.0
639.23834	14.7
653.25891	1.5
685.26691	1.2
697.25079	6.3
699.26660	2.1
729.26703	1.6
743.24951	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	761.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.9
79.05489	1.5
87.55413	0.7
92.52562	0.7
93.07051	1.2
94.06564	3.1
94.37950	0.7
103.05473	2.6
108.08146	3.8
120.04452	2.7
120.08117	10.1
122.06044	6.1
122.09670	1.4
124.07597	0.8
126.11098	0.7
134.05986	0.8
136.07603	4.0
138.09135	0.8
139.64206	0.7
144.04549	1.2
146.05994	2.3
148.07585	20.6
148.08702	1.5
150.09125	1.5
164.07085	1.7
166.08679	2.3
172.04007	1.7
179.12631	0.7
180.10127	1.9
190.05016	1.5
194.08076	0.8
197.10829	0.8
204.06589	3.4
211.08603	0.9
211.12469	0.8
212.09309	1.2
214.15544	0.8
223.08875	1.0
225.10266	2.7
227.11810	2.1
235.08850	1.4
236.09523	1.2
237.10211	6.1
238.11011	2.1
239.08186	1.2
239.11868	3.2
241.09802	1.7
245.12566	0.9
248.09367	2.0
249.10182	4.2
250.11066	2.5
251.08197	2.2
251.11787	4.9
252.08885	1.8
252.12573	1.6
253.09648	4.7
253.13545	0.9
255.11369	3.7
258.07462	0.8
261.10266	2.4
262.10934	1.9
263.11823	6.2
264.08987	1.0
265.09747	7.9
266.10583	2.1
267.11264	7.3
269.12747	1.7
271.10895	2.0
273.12390	0.9
277.09634	3.7
278.06781	1.1
278.10532	3.8
279.07761	2.1
279.11316	11.0
280.11987	1.7
281.09427	2.1
281.12872	2.8
283.10742	4.5
285.12692	0.8
287.14050	1.2
289.09729	8.0
290.10599	1.1
291.11346	4.9
293.09290	3.0
293.12897	3.8
294.09979	3.3
295.10779	4.3
296.11655	2.0
297.09006	1.4
297.12375	3.5
299.10422	1.3
306.09811	1.6
307.10681	4.1
309.12369	3.2
311.10321	6.0
311.13922	3.4
312.11111	2.1
313.11832	1.1
315.13705	1.1
317.09259	1.8
323.10425	1.7
323.14047	2.2
324.11194	2.3
325.12015	2.5
326.12506	4.8
327.13437	5.1
329.15115	1.4
330.16284	1.0
335.10275	12.3
339.13391	33.8
340.10513	3.1
340.14038	1.7
349.11902	1.7
351.13391	1.5
354.12234	6.3
355.12900	9.6
367.12885	20.3
368.13525	2.2
385.14188	0.9
399.15619	1.6
400.16782	1.0
414.18066	1.0
416.16003	1.1
442.17551	1.0
446.16904	0.8
462.20200	0.9
470.17236	1.4
474.20319	2.2
502.19937	2.6
520.20825	1.8
521.21252	0.9
530.19293	3.3
531.19141	1.0
534.22418	2.5
562.21844	11.0
563.21948	1.2
574.18365	9.3
578.21350	1.8
606.20850	100.0
607.21411	7.5
624.21912	0.9
638.23700	5.3
639.23999	1.6
690.83673	1.0
697.25104	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	761.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83868	3.8
93.07047	1.8
94.06554	2.3
103.05505	2.2
108.08097	4.3
113.07394	1.6
120.04443	4.2
120.08113	14.7
122.06039	6.4
122.09684	2.6
136.07613	8.2
140.36942	1.9
146.06039	3.0
148.07573	27.8
152.07063	2.2
162.05586	1.9
164.07140	2.6
166.08679	3.5
172.03964	6.5
190.04994	7.0
204.06538	8.9
209.10779	2.3
212.09445	4.5
225.10286	5.7
227.11832	5.9
237.10265	8.9
238.11024	2.9
239.08278	2.0
239.11765	3.4
241.09677	4.1
242.13281	1.7
249.10266	3.6
250.11053	2.5
251.11853	6.1
252.12523	1.9
253.09735	7.6
253.13466	1.9
255.11285	4.7
261.10190	2.8
263.11804	5.5
265.09729	8.4
267.11237	8.4
269.12827	6.0
271.10822	6.0
278.10504	2.2
279.11264	11.9
281.09424	3.4
281.12976	2.0
283.10852	6.4
285.12238	2.8
287.13910	3.9
289.09805	6.1
291.11288	5.3
293.09174	3.7
293.12738	3.8
294.10107	4.9
295.10806	5.2
297.12411	5.1
299.10242	3.5
300.10864	2.6
307.10825	4.8
308.11600	2.1
309.12381	5.5
311.10303	4.0
311.13885	2.2
312.11157	3.6
315.13367	7.2
321.12283	2.1
323.10367	3.3
323.13931	2.5
324.11157	3.0
325.11789	3.4
326.12683	3.5
327.13425	7.1
329.15302	2.2
330.44995	1.8
335.10236	7.2
337.11752	2.4
339.13412	34.9
340.10315	1.9
340.14063	3.5
342.12289	2.2
354.12103	4.5
355.12949	8.2
355.16733	2.1
356.13901	2.7
359.12268	2.5
365.11536	2.0
367.12885	20.6
398.14996	2.0
399.15869	6.0
411.11914	6.7
416.16147	4.7
423.77808	1.9
446.17197	3.0
458.16998	6.3
462.20435	4.7
474.19952	1.9
502.19601	3.1
530.18817	3.3
562.21918	9.7
566.21246	7.7
574.18018	8.8
579.21600	2.2
593.23572	4.8
606.20862	100.0
607.21417	25.5
611.24713	6.0
629.25769	2.0
638.23340	8.9
639.23999	6.7
653.25604	3.6
673.64197	1.9
697.25232	21.7
698.25275	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	761.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19692	2.4
64.37072	2.5
68.40970	2.8
69.27460	26.0
79.53992	2.6
88.36708	2.6
93.07062	3.3
94.06595	6.0
103.05458	3.8
108.04447	3.2
108.08118	7.5
118.21412	3.0
120.04465	5.5
120.08115	24.9
122.06062	12.9
124.07602	2.8
134.06042	3.2
136.07532	13.8
138.52997	2.5
139.45341	3.1
146.06009	7.3
148.07588	37.8
150.09114	2.7
162.05568	2.8
164.07086	4.5
166.08691	3.3
172.03978	12.2
181.13277	2.6
182.03316	3.0
190.05064	13.9
197.10789	4.3
204.06624	13.6
212.09421	5.2
224.09427	3.6
225.10249	10.9
227.11815	9.9
236.09395	3.7
237.10300	9.2
238.11023	5.1
239.11722	4.8
241.09731	10.4
250.11072	3.6
251.11844	9.9
252.08882	10.2
253.09663	15.4
255.11317	3.6
261.10245	3.7
263.07956	3.5
263.11774	4.1
264.09106	4.5
265.09753	11.1
267.11365	16.0
269.12875	12.2
271.10846	11.4
277.09601	4.6
278.10483	6.0
279.07559	3.2
279.11252	13.0
281.09293	3.2
283.10736	9.7
284.11658	4.2
285.12430	4.0
287.13916	7.9
289.09760	6.1
291.11285	5.6
293.09311	6.1
293.12695	3.1
294.10052	7.2
295.10712	6.6
297.12357	7.4
299.10330	5.4
300.11124	10.9
307.10706	7.9
309.12357	7.2
311.10223	10.4
311.13831	4.9
312.11050	4.8
313.11923	5.0
314.12573	8.1
315.13382	21.3
323.10373	5.5
325.11792	9.8
326.12573	4.1
327.13489	9.2
335.10199	8.8
339.13486	33.0
340.14322	4.5
342.12296	7.6
354.12103	5.2
355.12881	5.5
357.14502	3.0
359.12585	4.1
360.17340	3.4
367.12906	16.4
385.13861	5.1
390.17822	5.2
398.14786	10.6
399.15753	10.3
411.11783	9.3
414.18176	3.6
416.15836	7.7
440.15390	3.0
443.14554	3.0
446.17035	3.6
458.17126	8.0
462.20352	7.5
530.19385	3.8
562.21472	10.1
566.21375	34.7
567.86810	3.3
574.18054	8.4
593.23566	5.6
606.20868	100.0
607.21674	44.0
611.24536	8.2
638.23224	11.0
639.24329	25.6
653.25732	8.8
697.24951	55.9
698.25122	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	761.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46784	12.3
91.54074	1.5
94.06551	3.3
98.20657	3.0
103.05454	2.6
108.08144	3.6
116.05010	2.1
120.04446	3.6
120.08125	12.9
122.06021	9.8
136.07568	9.8
144.04488	3.3
146.06046	4.8
148.07578	21.7
150.09128	1.8
162.05450	2.2
164.06996	2.8
166.08824	1.7
172.03957	11.7
177.07324	1.5
190.05003	4.2
197.10742	2.0
204.06578	35.8
210.11542	1.9
212.32542	1.5
224.09393	1.8
225.10295	4.8
227.11821	4.4
235.08678	2.7
236.09349	3.2
237.10178	7.2
239.08205	1.8
239.11826	4.0
248.09528	1.9
249.10234	4.6
251.11816	6.1
252.08734	2.4
253.09830	3.6
262.11035	2.1
263.11902	4.4
265.09720	6.6
267.11340	5.2
269.12851	4.4
271.10809	5.3
277.09708	2.4
278.10452	3.8
279.07889	3.6
279.11273	9.4
281.09344	2.0
283.10770	4.5
287.14157	7.1
289.09732	5.2
291.11285	4.2
293.09268	3.7
293.12772	2.4
294.09927	3.2
295.10895	3.0
297.12305	3.3
299.10468	2.0
307.10809	4.6
309.12372	2.2
311.10324	6.7
311.13776	2.5
312.11008	2.4
313.11951	3.3
314.12875	2.5
323.10297	2.8
323.13779	1.9
324.11099	2.1
325.11908	3.3
326.12549	5.1
327.13556	7.0
335.10400	8.3
337.11813	2.5
339.09503	2.9
339.13428	39.7
340.14169	3.4
354.12183	5.7
355.12872	10.5
356.13800	2.3
358.15479	2.2
367.12988	12.4
370.15384	2.8
374.14517	1.7
382.11401	1.6
385.14316	1.8
386.14700	3.1
387.15286	1.8
398.14929	5.7
399.15463	9.3
404.16049	1.9
411.11722	2.4
416.15979	6.1
440.16010	3.3
443.14316	9.1
446.16599	2.1
458.16843	6.6
490.19995	2.6
491.22192	1.5
502.19705	2.8
534.22260	2.4
552.23303	4.2
562.21686	4.4
593.23590	3.3
594.24524	33.6
595.24567	1.9
606.21094	3.1
611.24506	2.5
620.22198	3.3
638.23450	100.0
639.23596	8.7
653.25763	3.4
697.14264	2.0
697.25092	26.2
729.26947	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	760.578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.2
57.07080	30.8
57.90074	1.6
67.05500	2.5
68.11315	1.5
69.07057	6.6
71.08274	2.6
71.08636	32.5
71.59834	1.9
73.06568	9.0
81.07075	1.8
83.08617	6.0
85.10186	18.4
87.04472	14.4
89.06039	100.0
91.07597	1.6
93.07007	1.7
95.08614	1.7
97.10166	4.7
99.11753	3.6
107.07054	2.5
109.10197	1.9
111.11739	3.8
117.09144	7.9
127.14847	1.7
130.08656	2.7
131.07080	2.2
133.08618	55.2
133.46574	1.5
161.11726	1.6
175.09666	3.0
177.11249	20.9
197.22607	2.1
221.13927	3.6
268.75900	1.3
285.27802	5.3
329.30304	2.3
347.31525	1.4
385.44992	1.6
760.57788	3.7
786.95898	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	760.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01873	2.1
55.05517	8.8
57.03445	8.2
57.07082	0.9
60.08165	5.3
61.02935	1.2
65.03934	1.2
65.96380	0.7
67.05176	1.5
67.05513	23.5
69.03443	1.3
69.07069	7.8
71.05000	1.5
71.07368	3.5
71.59797	0.9
71.60254	1.6
79.05061	1.5
79.05501	20.3
81.03426	30.6
81.07062	22.8
83.04963	3.6
83.08625	9.1
85.02934	1.0
85.06539	1.1
86.09712	32.8
91.03954	1.4
91.05482	15.2
93.07052	18.7
95.04983	8.6
95.08058	1.0
95.08620	15.9
95.29695	0.8
95.62768	0.8
97.02863	2.3
97.06531	2.7
97.10168	2.4
98.98454	3.0
104.10757	2.6
105.07031	10.6
107.04961	3.4
107.08598	11.1
109.06522	2.4
109.10186	7.4
111.08088	2.7
115.05431	1.1
117.07013	3.7
119.08606	8.9
121.06543	1.1
121.10162	8.7
123.08064	2.1
123.11710	2.0
125.00020	19.4
125.09615	1.4
125.57793	0.9
129.07028	5.3
131.08589	7.5
133.06487	1.0
133.10153	6.5
135.11694	5.5
137.09636	2.4
139.11131	1.0
143.08606	1.3
145.10117	4.6
147.11713	5.2
149.09605	2.9
149.13261	3.3
155.08603	1.0
157.10141	3.8
158.06963	1.0
159.11693	2.9
161.13268	2.6
163.11128	1.2
163.14868	1.1
171.11743	1.9
173.13248	3.2
175.11179	2.8
175.14755	1.1
182.58594	0.8
183.11705	1.3
184.07361	100.0
185.13318	1.6
186.68153	1.0
187.14717	1.1
189.11218	1.6
193.12215	8.0
197.13304	1.4
201.16394	1.1
227.12862	2.2
243.21111	2.5
261.22150	7.2
267.15933	31.2
268.16263	1.1
301.25250	2.1
307.22668	1.0
309.16913	1.0
317.24774	1.2
335.25800	29.2
417.31226	1.0
435.32529	1.2
453.33554	3.7
466.21475	1.1
527.37286	19.7
545.30731	1.0
545.38434	15.2
546.37982	1.2
549.58630	0.9
598.42340	1.4
676.11444	1.3
710.43604	4.7
711.43817	0.9
760.42987	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	759.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01868	1.4
55.05514	2.9
57.03457	3.0
60.08163	0.7
61.02935	3.6
67.05170	0.6
67.05515	9.5
69.03455	3.3
69.07079	3.3
71.04992	0.7
73.02911	3.1
79.05498	11.1
80.05832	0.7
81.03420	4.9
81.07066	10.2
82.07403	0.8
83.04993	2.1
83.08640	1.5
85.02917	4.0
85.06556	0.6
86.09725	2.7
91.03942	2.2
91.05486	7.5
92.05782	0.4
93.07051	11.7
93.28812	0.4
94.07379	0.9
95.04981	3.0
95.08613	7.1
96.29735	0.4
97.02915	4.8
97.06549	1.2
97.10165	0.9
99.04489	0.7
101.02386	1.7
103.03967	0.4
105.07048	4.8
107.04971	2.4
107.08598	5.4
108.05290	0.5
109.02892	0.9
109.06509	0.6
109.10183	2.2
111.04453	0.9
111.08138	0.9
117.07027	2.3
119.08598	4.6
121.06511	0.8
121.10157	4.2
123.08077	0.8
125.00051	1.5
127.03924	1.0
129.05508	0.6
129.07039	2.0
131.08580	2.9
133.10109	2.8
135.01544	0.5
135.11702	2.7
137.09662	0.5
143.08612	1.4
145.06496	0.5
145.10110	3.1
146.10545	0.7
147.08049	0.9
147.11714	2.6
149.09668	0.8
149.13333	1.0
155.08545	0.7
157.10191	0.9
159.11728	0.9
161.13307	1.9
163.11232	1.6
164.11566	0.5
169.10300	0.5
171.11774	1.5
173.09683	1.0
173.13297	0.8
175.11269	0.6
181.12306	1.1
184.07359	6.1
185.04294	1.1
186.94745	0.5
191.10710	0.7
203.05309	0.5
227.12897	0.6
228.13190	0.6
241.07043	0.6
243.08530	2.1
247.13205	1.5
259.20755	0.6
261.22192	1.1
265.14401	1.3
266.14813	0.9
267.15961	2.3
283.15402	2.2
284.15735	1.1
301.09048	1.3
301.16644	2.0
302.16812	1.0
315.10571	0.7
335.25906	4.2
336.25980	2.8
341.12405	0.6
373.11484	0.6
465.14575	1.0
465.20905	8.9
466.21490	0.7
516.37781	0.5
526.36230	0.8
527.37482	1.1
535.28906	5.0
537.23328	1.6
543.37012	0.7
544.37231	2.7
545.38324	0.9
561.37933	1.0
562.38013	3.4
579.27820	0.5
597.41754	0.8
621.32733	0.7
759.42932	100.0
760.43317	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	759.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
56.07480	1.0
58.34403	1.0
61.30353	1.0
67.05508	1.2
69.51286	1.9
69.51682	7.2
79.05500	2.4
81.07047	1.0
91.05463	2.5
93.07064	3.1
94.06597	5.5
95.04960	1.3
98.21474	1.4
103.05466	2.0
108.08117	9.2
118.06548	1.5
120.04473	1.5
120.08111	15.9
120.56012	1.0
122.06043	24.9
122.09701	2.6
132.08087	1.7
134.06033	2.5
136.07591	17.4
137.05986	1.6
138.05495	1.1
138.09134	1.3
139.03870	1.0
143.09697	1.0
144.04446	1.5
146.06032	2.4
148.07582	33.2
150.09148	4.4
152.07040	1.7
160.07564	1.1
162.05466	1.2
163.03918	1.9
164.07101	2.8
166.08646	4.0
172.03940	6.6
183.09224	1.1
186.09145	1.0
190.05025	2.6
204.06598	11.3
208.09821	1.7
209.10727	4.4
221.10768	1.9
222.08128	1.3
223.08711	1.7
223.12390	1.7
225.10280	3.7
235.08591	4.7
236.09381	6.5
237.10237	24.5
238.11034	2.0
239.11781	2.8
241.09605	1.8
243.11264	2.7
247.08537	1.2
248.09396	1.5
249.10246	18.9
250.07144	1.2
250.11009	4.1
251.11813	5.3
252.08768	2.8
253.09700	4.9
255.11250	1.2
261.10355	2.3
262.10861	1.3
263.08240	3.4
263.11826	2.7
264.09021	11.3
265.09760	11.8
266.10400	1.7
267.11417	4.8
269.09155	1.7
269.12787	1.5
271.05914	1.0
271.10904	1.8
276.08878	1.3
277.09750	16.7
278.10410	7.2
279.07886	2.1
279.11276	17.2
280.08417	1.0
281.09241	6.4
281.12494	1.7
282.09946	1.7
283.10684	2.0
285.12454	5.1
289.09686	1.1
291.07794	2.3
291.11240	1.6
292.08466	1.6
293.09250	47.2
293.12820	6.0
294.09619	1.3
295.10797	3.7
297.08823	2.1
297.12344	1.8
299.10312	2.0
299.13940	1.3
305.09283	10.2
306.09808	1.7
307.07568	1.8
307.10751	13.3
309.08688	4.4
309.12476	3.7
311.10257	4.6
311.13831	2.0
312.10922	1.6
313.11853	3.0
314.12854	1.7
317.15137	1.3
319.10843	3.5
323.10370	8.6
325.11914	4.7
326.12741	1.8
327.13641	1.8
328.14432	2.3
333.08813	6.8
337.11874	4.4
338.12784	1.3
339.13428	11.2
340.10812	1.5
340.14633	2.2
341.15137	1.2
342.12265	3.0
342.16153	3.5
343.13168	1.2
347.10403	1.4
351.09799	25.5
351.13922	2.3
352.10052	1.8
353.11264	4.3
353.15018	3.2
354.12253	2.8
354.16202	1.4
355.13049	4.1
356.13843	3.9
356.17728	1.7
357.14966	2.2
358.15536	2.1
365.11481	5.5
366.12112	5.9
367.13116	2.3
368.13892	3.0
369.14780	2.5
370.11563	2.5
370.15619	4.0
371.12366	4.8
382.11423	1.4
382.15686	2.4
383.12323	6.6
383.16489	1.3
384.12955	2.2
384.17099	3.2
385.14020	5.4
396.13223	2.0
397.13922	6.3
398.14661	2.7
398.19043	1.6
400.16620	2.1
410.14984	2.6
411.11786	2.3
412.16626	3.6
414.14078	1.5
418.17520	1.3
419.45279	1.2
428.15826	5.6
429.16507	1.5
430.17978	1.5
438.14493	4.4
440.16415	1.4
442.17508	1.6
443.14777	2.7
446.17059	1.4
452.15912	1.7
456.15469	8.3
457.15930	2.0
458.16956	4.4
460.18893	3.1
472.18634	1.2
474.20859	1.6
476.18256	3.8
486.16687	2.8
488.18024	11.4
489.19284	1.3
490.19922	2.1
500.17834	1.6
518.19250	2.0
520.20874	5.3
530.19037	3.0
532.20563	2.1
551.22333	4.7
560.20325	1.9
561.21051	3.3
562.21680	1.4
564.19153	6.1
578.21179	2.2
591.22577	2.9
592.22852	22.1
593.23663	17.6
595.25500	1.7
604.19226	4.8
605.20221	9.2
606.20160	1.8
614.91595	1.2
622.19916	3.0
623.24634	4.6
636.11346	2.1
636.21936	49.6
637.22681	100.0
638.23077	5.4
641.26013	3.8
651.24414	1.8
683.27209	9.5
695.23102	4.3
709.25140	2.6
727.25867	12.5
759.27020	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	759.287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62078	1.3
56.91803	1.2
57.80814	1.3
61.76802	1.1
68.06463	1.2
70.06586	2.3
71.58956	2.1
74.21124	1.2
76.15500	1.4
79.05501	3.0
91.05453	2.7
93.07065	2.6
94.06567	4.7
103.05444	1.9
108.08129	6.2
118.09699	1.5
120.04441	2.6
120.08106	14.6
122.06052	16.5
122.09708	2.0
124.07632	1.5
134.06042	2.1
136.07587	15.2
138.05539	1.7
143.89951	1.3
148.07581	32.4
150.09232	2.2
163.03931	4.0
164.07010	1.7
166.08714	4.2
167.00433	1.4
172.03976	1.6
197.10780	1.6
204.06589	1.8
209.10742	2.2
225.10371	2.7
235.08795	3.3
236.09470	6.0
237.10236	21.0
238.10846	1.6
239.11876	2.2
249.10263	16.7
250.07365	2.2
250.11020	3.2
251.11826	7.0
252.08720	2.6
253.09816	3.5
261.10394	2.5
263.08124	2.2
263.11871	2.4
264.08960	10.9
265.09750	11.6
267.11221	3.5
277.09732	14.6
278.10468	6.2
279.08163	2.5
279.11264	15.1
281.09186	5.1
281.12253	1.7
289.59579	1.6
291.07779	2.8
291.11243	2.1
292.08450	2.6
293.09286	43.3
293.12744	6.5
294.09924	2.8
295.10739	3.1
298.09488	2.0
305.09213	9.7
306.10220	1.6
307.10809	14.0
309.08765	4.1
309.12421	3.5
311.10361	3.0
312.11179	2.2
313.11819	2.3
315.13614	1.4
321.12274	1.5
322.09158	1.4
323.10223	7.4
324.11288	2.0
325.11853	4.9
326.12906	2.4
328.14545	2.2
333.08798	6.4
335.10184	1.8
337.11877	2.8
339.13358	8.5
342.12320	2.0
351.09726	21.7
353.11292	2.6
353.15213	3.2
354.12384	2.8
355.12958	3.2
356.13803	2.7
357.14786	1.9
365.11191	4.3
366.11987	5.3
367.12997	2.2
368.13901	2.1
370.11472	2.0
371.12268	3.5
382.11472	1.8
382.15784	2.3
383.12448	7.9
384.12726	2.7
384.17334	2.3
385.14102	4.2
396.13452	2.1
397.13858	5.3
398.14929	4.3
400.16611	2.3
401.14026	1.5
410.87625	1.5
412.16449	2.3
428.16098	5.3
438.14395	3.4
456.15457	6.4
458.17081	3.2
460.18585	3.6
470.17145	2.1
476.18600	2.2
486.16449	2.7
488.18225	11.4
490.19974	1.9
518.19189	2.4
520.20673	6.1
530.19415	2.5
532.21045	1.6
550.21320	1.5
551.22821	4.4
561.21039	2.0
564.19519	6.8
578.21185	1.8
591.22198	2.4
592.22943	18.9
593.23584	18.6
604.18610	1.8
605.20020	7.2
606.20911	2.0
619.21765	2.0
622.19733	2.7
623.25061	4.6
636.21985	34.5
637.22729	100.0
638.22601	5.8
665.25928	2.4
678.01129	1.8
683.27045	7.6
695.22961	4.0
709.24707	3.1
727.26349	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	759.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76598	0.3
64.59441	0.3
65.03963	0.4
67.05503	0.7
70.21600	1.1
71.79307	0.3
73.21350	0.3
79.05482	0.4
89.03915	1.0
91.05428	0.3
94.06580	2.3
95.04977	0.7
96.08164	0.3
106.06549	0.5
108.08121	1.1
113.86444	0.3
113.97530	0.3
116.04975	2.6
120.04473	0.8
120.08095	1.3
122.06046	9.1
124.07579	1.2
132.04485	0.3
134.05963	0.7
136.06635	0.5
136.07593	6.0
140.07077	0.6
144.04457	4.3
146.05965	0.6
148.07593	3.4
150.05508	3.2
158.06046	0.5
158.09660	0.5
160.03978	0.3
160.07631	0.3
162.05510	1.7
164.07082	0.3
168.06581	1.3
168.07941	0.4
170.09589	0.4
172.03941	17.9
172.07501	1.4
173.04430	0.4
182.08203	1.8
182.09627	0.5
184.07558	0.4
184.11226	0.4
185.10759	2.2
186.05542	1.0
186.09114	0.4
187.08681	0.3
187.12305	0.5
190.04994	4.7
196.07527	0.6
196.09764	0.4
197.08470	0.3
197.10757	0.8
198.09230	2.0
199.08649	0.9
199.12302	1.0
200.12970	0.3
201.10216	3.1
202.08702	0.4
204.06580	22.8
205.06789	0.6
207.09299	0.5
208.09889	0.7
211.08530	0.6
211.12105	0.4
212.07332	0.3
212.10918	1.8
213.10173	3.7
213.13832	0.4
214.10977	1.1
215.11816	2.9
216.10287	0.3
218.08202	0.9
223.08582	0.6
223.12114	0.5
225.07985	0.6
225.10176	4.2
226.08894	0.5
226.11017	0.9
227.08145	2.7
227.11726	1.5
228.08859	0.6
228.12601	1.1
229.09709	2.7
229.13351	0.8
234.09172	0.4
236.09532	1.0
237.10275	0.5
239.09642	0.3
239.11737	1.3
240.10345	0.6
241.09752	6.5
241.13391	3.5
242.10501	12.1
243.11279	4.8
244.12077	1.2
245.12910	0.4
249.10327	0.3
250.11052	0.4
251.11775	1.9
252.08798	0.4
254.10434	0.3
255.11269	3.3
256.12073	9.1
257.10779	0.5
257.12872	10.8
258.11270	1.9
258.13684	1.5
263.07983	0.4
264.08963	0.8
267.11252	1.3
269.09357	0.6
271.11002	0.4
271.14456	0.5
272.12939	0.9
274.13477	0.3
278.10498	1.0
279.11307	4.2
279.62851	0.3
281.12610	0.4
284.11575	7.2
285.12347	2.4
286.12955	0.3
287.10263	1.8
289.15479	4.4
299.13916	0.9
300.12244	0.3
301.11853	0.9
302.12564	3.8
303.75742	0.3
307.10764	3.1
308.10764	0.4
315.13571	0.5
317.14969	100.0
318.15344	4.0
325.11743	1.4
329.11215	2.1
330.11981	0.3
339.13376	5.6
359.12253	0.3
367.12994	0.7
411.11908	11.4
412.12137	0.4
429.12766	0.8
443.14267	2.2
460.19019	0.4
476.17862	1.0
488.17984	0.4
490.19861	0.3
597.35638	0.3
639.27490	1.0
651.24359	0.7
655.27759	0.6
683.27124	3.4
695.23315	1.6
727.26154	4.9
728.26489	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	759.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06734	0.2
55.19443	0.2
58.06190	0.2
65.03932	0.6
66.30605	0.2
66.97348	0.2
67.05515	1.3
69.03400	0.2
69.07061	0.4
71.19580	0.2
79.05479	0.7
80.05009	0.3
81.03425	0.3
81.07045	0.4
85.02865	0.2
86.09696	0.2
89.03905	0.9
91.05482	0.7
93.07027	0.6
93.41037	0.2
94.06572	3.0
95.04989	0.9
95.08583	0.5
97.06536	0.3
103.05437	0.4
105.05753	0.2
106.06557	0.6
107.08585	0.2
108.08119	1.3
109.10197	0.3
115.05476	0.2
116.04966	1.8
118.06544	0.4
119.08587	0.3
120.04457	0.8
120.08118	2.8
122.06039	11.4
124.07610	1.2
134.06021	0.9
135.06776	0.4
136.07590	7.7
140.07092	1.3
144.04463	5.1
144.08044	0.3
146.06003	1.0
148.07581	4.7
150.05524	2.8
150.09123	0.5
151.07625	0.2
152.07056	0.3
158.06075	0.3
160.03914	0.3
160.07581	0.5
162.05519	2.3
162.09174	0.2
163.03868	0.4
164.07047	0.6
164.10762	0.2
165.09151	0.4
167.07251	0.3
168.06577	2.1
168.08006	0.4
170.06012	0.3
170.09694	0.4
172.03947	23.8
172.07487	1.0
173.04262	0.4
174.05461	0.6
174.09224	0.4
176.07079	0.4
180.10187	0.3
182.08151	1.6
182.09630	0.3
183.09160	0.4
184.07573	0.3
184.11255	0.4
185.10748	2.2
186.05566	0.5
186.09178	0.7
186.11508	0.3
187.08652	0.4
187.12317	0.5
188.07115	0.3
188.09401	0.2
190.05009	4.4
196.07693	0.5
196.09813	0.7
197.08467	0.3
197.10739	0.8
198.07550	0.3
198.09196	2.7
199.08562	1.0
199.12358	1.1
200.10878	0.2
200.13043	0.5
201.10239	4.1
201.13905	0.4
204.06580	30.7
205.06947	0.7
207.09267	0.3
208.09859	0.7
210.09344	0.3
211.08659	0.9
211.10381	0.3
211.12343	0.4
212.10965	2.1
213.06517	0.3
213.10167	3.7
213.13573	0.3
214.07367	0.3
214.10898	1.1
215.11803	2.7
218.08189	0.8
221.10771	0.6
222.09329	0.4
223.08646	0.5
223.12318	0.7
224.07098	0.3
224.09300	0.4
225.08015	0.4
225.10201	4.4
226.08667	0.7
226.11009	0.9
227.08176	3.2
227.11731	1.5
228.08975	0.4
228.12596	1.5
229.09724	3.0
229.13242	1.5
230.14117	0.4
233.10760	0.4
234.09267	0.3
235.08688	0.5
236.09453	1.2
237.10248	0.8
238.10928	0.4
239.11769	1.3
240.10324	1.1
241.09735	8.2
241.13408	4.2
242.08263	0.5
242.10503	12.8
243.11314	5.4
243.14999	0.3
244.09808	0.4
244.11951	1.6
247.10831	0.5
249.10179	0.9
250.10945	0.4
251.11888	1.6
252.08827	0.4
253.09772	0.4
255.11325	2.8
256.09756	0.4
256.12079	10.1
257.10495	0.6
257.12866	10.3
258.11224	2.0
258.13681	1.8
259.10794	0.4
263.08139	0.5
264.08945	1.0
265.09824	0.5
267.11240	1.5
269.09244	0.7
270.10132	0.4
271.14438	0.6
272.12921	1.2
274.13312	0.6
277.09738	0.6
278.10388	1.0
279.07791	0.3
279.11218	3.7
280.11664	0.2
281.09219	0.2
281.12936	0.2
283.10773	0.6
284.11572	7.0
285.12338	3.6
286.13034	0.4
287.10300	2.1
289.12198	0.4
289.15482	5.1
293.09247	0.7
294.09680	0.3
297.12338	0.6
299.10440	0.3
299.13977	0.6
300.12109	0.5
301.11813	0.7
302.12674	3.4
303.13498	0.4
303.42834	0.2
307.10815	3.4
311.10675	0.3
311.14069	0.6
313.12643	0.2
315.13464	0.4
316.14249	0.4
317.14969	100.0
318.15338	2.6
323.10049	0.3
325.11880	1.5
326.12866	0.4
327.13599	0.3
329.11392	1.9
338.12750	0.3
339.09424	0.4
339.13406	6.9
340.14307	0.7
341.15173	0.5
343.12997	0.8
351.13562	0.3
354.12424	0.5
355.13120	0.3
356.13864	0.5
357.14734	0.3
366.12210	0.3
366.16159	0.2
367.13104	0.7
368.13812	0.6
369.14731	0.5
370.15405	0.4
382.11542	0.5
382.15829	0.4
383.12311	0.3
384.17322	0.4
394.15808	0.3
395.12167	0.2
396.13272	0.4
397.14160	0.3
400.16925	0.3
410.15051	0.4
411.11856	10.4
412.11804	0.4
412.16647	0.7
414.14420	0.4
415.15118	0.5
416.16516	0.3
426.14352	0.3
428.15936	0.5
429.12640	1.4
432.19281	0.8
438.14371	1.1
443.14465	2.8
444.14777	0.2
456.15524	1.0
458.17447	0.3
460.18924	0.3
469.16632	0.2
470.55862	0.2
476.18369	1.7
488.18204	2.6
508.20569	0.7
579.26306	0.2
584.17560	0.2
591.22314	0.7
592.22638	0.2
593.23846	0.3
595.25409	0.4
623.25201	1.4
636.21533	0.8
637.22388	1.1
639.27966	1.1
641.25952	0.5
651.24567	0.9
655.27643	0.6
665.25781	0.4
677.21942	0.2
683.27075	3.9
695.23511	1.5
697.28235	0.4
699.26807	0.4
709.24219	0.2
727.13660	0.4
727.26074	7.2
728.26245	0.3
741.26337	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	759.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.1
67.05503	0.9
69.46313	5.5
79.05490	2.8
80.05022	0.6
81.07065	0.7
85.02950	0.8
91.05508	1.9
93.07068	2.6
94.06590	3.4
95.04940	1.1
95.08623	1.0
103.05487	1.1
105.05827	0.7
107.07350	1.0
108.08125	6.7
120.08117	15.6
121.10170	0.6
122.06039	22.3
122.06895	1.4
122.09679	2.7
132.43192	0.6
134.05098	0.7
134.06064	1.7
136.07582	15.9
136.08536	1.4
138.05545	1.0
138.09138	1.1
148.07579	33.2
150.09140	4.6
152.07080	0.9
164.07094	1.4
165.09167	1.2
166.08630	3.2
172.03983	1.0
204.06564	0.9
208.09898	1.1
209.10741	3.3
211.08611	1.0
212.09410	0.7
221.10985	0.8
223.08797	0.9
223.12309	0.9
225.10277	2.7
235.08679	4.2
236.09468	6.4
237.10258	21.5
238.10880	1.7
239.11806	1.4
241.09937	0.9
247.08855	1.3
248.09538	1.2
249.10262	18.2
250.07332	0.9
250.11082	4.5
251.08249	2.0
251.11842	7.4
252.08781	2.1
253.09758	4.9
255.11343	1.1
261.10257	3.3
263.08276	3.8
263.11661	1.7
264.08954	10.8
265.09726	10.1
266.10492	1.4
267.11258	5.2
268.12070	0.7
269.09238	1.4
271.10669	0.8
277.09744	18.1
278.10559	5.6
279.07919	1.9
279.11292	16.4
280.08813	0.8
280.11935	2.2
281.09274	6.0
281.12479	1.1
282.10083	0.8
283.10828	1.2
289.09799	1.4
291.07742	2.0
291.11285	2.7
292.08411	2.4
292.11670	1.2
293.09262	49.8
293.12802	6.3
294.09818	2.6
295.10803	4.7
295.13797	0.7
297.08881	1.5
297.12091	1.3
300.11331	1.1
301.12112	0.9
305.09207	9.5
306.09933	1.9
307.10785	13.4
309.08762	3.3
309.12402	4.7
311.10416	3.1
311.13882	1.4
312.11258	2.5
312.15015	0.8
313.11954	2.4
313.15540	0.8
314.12878	1.5
315.13626	0.8
317.09222	0.8
317.15051	2.7
319.10849	2.6
321.12335	1.6
322.13327	1.1
323.10291	7.9
324.11142	1.4
325.11945	5.0
326.12701	1.5
327.13553	2.3
328.14578	2.0
333.08755	7.7
335.10446	1.4
337.11728	4.9
338.12683	1.2
339.13495	9.9
340.14545	2.9
342.12305	2.3
342.16095	1.5
343.13000	1.7
344.13940	1.4
347.10315	1.1
351.09793	25.0
351.13345	1.2
352.10495	2.1
352.14651	1.3
353.11273	3.5
353.15121	3.8
354.12415	2.9
355.12912	3.4
356.13943	2.5
356.17880	1.2
357.14877	1.9
358.15643	1.3
364.14471	1.0
365.11322	6.4
366.12234	5.7
366.16006	1.2
367.13281	2.8
368.13882	3.8
369.14719	2.5
370.11694	2.8
370.15570	1.9
371.12399	4.8
372.13257	1.2
372.17343	1.1
379.13181	0.9
380.14182	0.9
381.15036	0.9
382.11765	2.4
382.15704	2.0
383.12335	5.8
384.13293	2.2
384.17279	2.5
385.13873	6.2
386.14664	1.6
394.15854	1.0
395.12460	1.0
396.13504	2.6
397.14056	7.3
398.14822	4.1
398.19073	1.6
399.15579	1.0
400.16763	3.1
402.14664	1.3
410.15118	1.8
412.16891	2.5
413.13660	1.1
413.81467	0.7
414.14456	1.7
415.14880	0.8
416.16144	0.9
426.13779	0.8
428.16098	7.9
429.16428	1.7
430.17981	1.0
432.19342	1.2
438.14435	5.1
440.16495	0.9
442.17783	1.5
444.19333	2.5
452.16086	1.5
456.15262	7.3
457.16159	1.2
458.17288	2.8
459.18155	0.8
460.18759	4.3
470.17340	1.2
472.18744	2.4
474.20782	0.7
476.18375	2.6
486.16470	3.0
488.18164	9.0
490.20123	0.8
508.16382	0.7
518.19629	1.4
520.20782	4.8
532.19183	0.8
533.22131	1.0
550.21545	1.0
551.22858	4.0
560.20569	1.5
561.21191	2.1
563.23120	1.1
564.19574	6.5
578.21375	1.2
591.22546	4.7
592.22882	21.1
593.23724	15.8
594.22150	0.8
595.25476	1.4
604.19238	2.8
605.19873	10.9
606.20813	3.0
619.21362	1.0
622.20282	2.8
623.25409	4.9
636.21875	43.7
637.22681	100.0
638.22931	7.1
641.26392	1.5
651.24182	1.1
665.26514	0.8
683.26984	10.3
684.27441	1.5
695.23505	4.4
696.62683	0.9
709.25159	0.9
722.61768	0.8
727.26117	12.9
728.25867	1.1
759.39551	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	759.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12719	0.2
62.59153	0.2
65.03932	0.5
67.05513	1.0
69.26045	1.9
69.26445	0.3
75.26569	0.2
79.05484	0.4
89.03898	0.5
94.06008	0.2
94.06570	2.6
95.04972	0.5
95.11431	0.2
96.04475	0.2
101.96625	0.2
103.05470	0.3
106.06530	0.4
108.08109	1.0
116.04980	2.6
118.06512	0.2
120.04461	0.7
120.08112	1.8
122.06036	8.4
124.07597	1.1
130.06596	0.3
134.06003	0.6
136.07579	5.7
138.05453	0.2
138.09108	0.2
140.07060	1.0
141.07135	0.2
144.04445	4.1
144.08072	0.3
146.06044	0.7
148.07578	3.6
150.05515	3.0
150.09172	0.4
152.07091	0.4
158.05998	0.4
158.09680	0.2
160.03931	0.3
160.07567	0.5
162.05473	1.6
164.07056	0.6
164.10724	0.4
165.09071	0.2
166.08606	0.3
168.06599	1.2
168.07903	0.3
170.09683	0.3
172.03943	20.4
172.07571	0.9
172.11292	0.2
173.04179	0.4
174.05548	0.5
174.09140	0.3
180.10210	0.2
182.08113	1.8
182.09544	0.4
184.07545	0.4
184.09824	0.2
184.95506	0.2
185.10713	1.6
186.05542	0.5
186.09119	0.4
187.12294	0.7
190.04988	3.5
196.07529	0.4
196.09805	0.5
197.08470	0.5
197.10762	0.6
198.09195	2.2
198.11069	0.2
198.11676	0.2
199.08548	0.9
199.12387	1.2
200.10809	0.5
200.12906	0.4
201.10243	3.1
201.13823	0.4
202.14725	0.3
204.06567	28.7
205.06888	0.6
207.09143	0.3
208.09734	0.5
211.08690	0.7
211.10295	0.3
211.12206	0.3
212.10893	2.4
213.10159	3.7
213.11774	0.3
213.13646	0.3
214.07240	0.3
214.10960	0.8
215.11775	2.0
218.08173	0.7
221.10696	0.3
222.09235	0.4
222.11424	0.4
223.08688	0.7
223.12283	0.9
225.10201	3.9
226.08937	0.3
226.11006	0.7
227.08122	2.3
227.11681	1.8
228.09024	0.3
228.12535	1.1
229.09734	2.6
229.13321	1.4
230.14095	0.5
235.08659	0.4
236.09476	0.7
237.10211	0.6
239.09627	0.4
239.11687	1.2
240.10201	0.9
241.09709	5.7
241.13336	3.2
242.10503	11.6
243.11264	5.0
244.09802	0.4
244.11946	1.3
247.08392	0.3
249.10150	1.0
250.11046	0.6
251.11819	1.5
253.09480	0.3
255.11296	2.6
256.12067	8.8
257.10562	0.4
257.12845	10.1
258.11249	1.8
258.13528	1.6
259.10873	0.4
263.08066	0.3
264.09012	0.8
265.09616	0.4
267.11377	1.5
269.09177	0.4
271.14453	0.6
272.12802	1.1
273.08453	0.3
274.13416	0.4
277.09732	0.5
278.10553	0.7
279.11276	3.8
281.12674	0.2
283.10873	0.4
284.11578	6.3
285.09470	0.3
285.12347	3.1
286.12885	0.5
287.10300	1.7
289.12152	0.5
289.15451	4.1
293.09241	0.6
297.12561	0.4
299.13950	0.6
300.12341	0.4
301.11819	1.0
302.12656	3.5
303.13297	0.2
307.10812	3.2
309.08594	0.2
311.14169	0.3
315.13376	0.3
316.14240	0.4
317.14960	100.0
318.15317	3.4
325.11716	1.1
328.14505	0.3
329.11340	1.7
339.13419	6.5
340.14313	0.4
341.15216	0.2
343.12878	0.6
354.12436	0.3
356.13974	0.5
367.13086	0.6
368.13916	0.4
370.15326	0.3
382.15674	0.2
386.14987	0.3
393.10648	0.3
395.12918	0.2
397.14349	0.2
400.16937	0.4
411.11884	10.8
412.11905	0.3
412.16791	0.4
414.14478	0.4
415.15115	0.3
428.16046	0.5
429.12894	0.9
432.19260	0.9
438.14685	0.5
438.20493	0.2
443.14395	2.3
444.19495	0.5
456.15659	0.6
460.18765	0.3
476.18265	1.5
488.18085	2.2
508.20764	0.5
591.22363	0.6
623.24939	1.0
624.26404	0.3
636.21411	0.2
637.22333	0.7
639.27942	0.8
641.25873	0.6
651.24103	0.7
655.26898	0.4
665.25970	0.3
683.27203	3.2
695.23071	1.2
697.27362	0.2
699.26398	0.5
709.24048	0.3
727.13806	0.4
727.26154	5.6
728.26178	0.7
759.28864	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	759.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52025	0.5
55.01866	0.6
65.03976	0.6
69.54060	2.9
79.05501	1.9
80.05013	0.6
90.30753	0.5
91.05447	1.3
93.05804	0.8
93.07054	1.6
94.06572	3.2
95.04979	0.7
96.08105	0.7
103.05478	1.5
105.05761	0.6
107.07342	0.8
108.08118	5.9
118.06610	0.8
120.04504	0.7
120.08115	13.8
122.06043	19.5
122.09646	2.6
131.52394	0.6
134.06036	1.4
136.07584	12.7
138.09163	0.9
146.05978	0.8
148.07584	29.6
150.09137	4.4
152.07144	0.8
160.07526	0.5
166.08650	3.6
194.08467	0.6
208.09822	0.7
209.10728	3.0
211.08643	0.7
221.10709	0.9
222.07872	0.8
223.08557	1.2
223.12251	0.9
225.10297	1.7
235.08644	3.8
236.09448	5.9
237.10223	21.1
239.08202	0.6
241.09747	0.6
247.08624	1.0
248.09508	1.1
249.10231	14.1
250.07376	1.3
250.11034	3.3
251.08206	1.5
251.11792	4.8
252.08830	2.1
253.09790	3.2
254.10284	0.6
255.11217	0.8
261.10315	2.1
262.10974	1.1
263.08234	2.3
263.11774	1.8
264.08911	10.4
264.11441	0.8
265.09705	10.0
266.10474	1.3
267.11292	4.5
268.11719	0.6
275.08255	0.9
276.09073	1.3
277.09760	14.5
278.07275	0.8
278.10425	5.1
279.07849	2.1
279.11261	12.6
280.08765	0.9
280.12085	2.1
281.09302	4.7
281.12509	1.0
283.11011	1.3
285.12344	0.9
289.09714	1.3
291.07755	2.4
291.11160	1.3
292.08505	2.6
292.11984	1.2
293.09277	45.1
293.12814	6.6
294.09961	3.2
295.10760	4.1
296.11630	0.7
297.12225	1.0
304.08569	0.7
305.09250	9.8
305.12485	0.8
306.10028	1.5
307.10803	12.2
307.14130	1.1
309.08752	2.5
309.12405	3.0
310.09360	0.7
311.10345	3.0
311.13766	1.1
312.11047	1.3
313.11850	2.6
314.12830	1.7
315.13568	0.7
319.10864	1.8
321.08868	0.8
321.12503	1.4
322.13297	1.1
323.10342	8.2
323.13971	1.0
324.11298	1.5
325.11923	5.1
326.12915	1.4
327.13632	2.3
328.14648	1.0
330.12003	0.6
333.08713	6.4
335.10513	1.0
337.11798	3.9
337.15634	0.7
338.12717	1.7
339.09604	0.7
339.13458	8.9
340.14407	1.6
341.15472	0.8
342.12350	1.7
342.16110	1.5
343.13052	1.2
344.14050	0.8
347.10284	1.2
351.09778	22.8
352.10608	1.4
353.11200	3.2
353.15262	3.0
354.12381	1.7
355.13052	3.2
356.14105	2.9
357.14908	1.6
358.15625	1.3
364.14575	0.8
365.11380	4.0
366.12057	6.0
366.15967	0.5
367.13123	2.2
368.14032	2.1
369.10651	0.9
369.14838	1.9
370.11765	1.8
370.15579	2.2
371.12402	4.1
372.13159	0.9
372.17319	1.1
374.15091	0.6
379.13077	1.0
382.11530	1.3
382.15643	1.2
383.12308	6.8
383.16110	1.0
384.13184	1.8
384.17242	1.3
385.13943	5.1
396.13525	1.4
397.14011	6.7
398.14658	2.9
398.19394	0.9
399.15543	0.9
400.16776	2.5
402.14401	0.7
410.15051	1.8
412.16571	2.3
413.13492	0.7
414.14111	0.8
426.14224	1.0
428.16058	5.8
429.17172	1.0
430.18082	0.8
432.19412	1.8
438.14706	3.7
440.16400	0.9
442.17883	1.2
444.19104	1.9
446.17300	1.4
456.15643	5.7
457.16196	1.9
458.17181	2.8
459.18198	0.6
460.18741	3.0
470.17657	0.8
472.18814	1.6
476.18246	1.6
477.18887	0.6
486.16806	2.2
488.18158	10.6
490.19803	1.7
500.17789	0.6
504.21414	0.5
518.19250	1.5
519.19995	0.7
520.20764	4.2
521.21155	0.8
532.21008	1.0
550.21515	1.1
551.22577	4.1
560.20032	0.8
561.21149	1.5
563.23267	0.8
564.19714	5.8
578.21368	1.8
591.22296	3.7
592.22943	18.6
593.23694	14.8
594.24139	1.4
595.25702	1.3
604.19061	1.3
605.19818	7.5
606.20734	2.0
619.21533	0.9
622.20319	3.1
623.25287	3.3
636.21912	44.1
637.22687	100.0
638.23016	7.0
641.26178	0.9
651.24896	1.6
665.26001	0.7
683.27124	9.0
695.23608	2.5
709.24268	0.8
727.26160	9.1
728.26733	0.6
759.39026	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	759.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.6
67.58826	1.2
84.96040	5.6
98.97588	67.3
110.97571	22.6
110.98332	1.5
112.89616	8.9
112.99200	1.1
113.75834	1.0
114.89323	2.4
116.98634	28.0
117.98343	1.0
124.99147	2.0
128.45976	0.9
128.98622	32.2
131.00160	2.2
134.99675	7.3
140.00226	1.2
140.98604	7.3
143.00179	11.5
146.99667	15.9
152.98624	3.6
155.00131	1.2
158.98628	0.7
158.99667	26.7
161.01263	9.6
170.99661	44.4
173.01352	1.2
177.00728	19.9
182.98059	1.3
182.99664	20.4
189.00728	41.5
194.99802	1.5
195.01833	1.4
200.02309	1.6
201.00722	57.4
203.02307	1.3
207.01823	2.5
212.02397	1.5
213.00726	4.2
219.01784	52.4
224.02405	1.2
231.01775	8.7
237.02853	37.1
242.03441	1.7
243.01770	25.5
254.99471	3.0
255.03844	9.1
259.97781	1.1
261.02838	100.0
262.03259	2.5
273.00427	3.9
273.02933	8.8
274.57126	1.0
279.03897	49.3
284.04276	1.4
291.00949	1.4
291.03928	17.4
302.05453	2.2
309.04996	2.3
321.01169	1.6
321.04941	32.0
333.05054	6.3
351.05994	10.9
360.69797	1.3
363.06033	1.4
381.07074	20.5
399.08139	20.2
417.04730	99.7
418.05246	1.9
435.05865	9.0
441.09192	97.4
442.09393	3.2
453.09399	2.4
458.07364	2.1
471.10236	3.8
501.11539	4.7
543.12341	2.4
603.14050	2.1
723.18744	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	757.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14187	0.7
64.62359	0.6
69.25652	7.2
79.05444	0.7
80.05044	1.0
81.07042	0.6
93.05803	2.7
93.24715	0.7
94.06589	2.2
98.20677	1.4
101.53729	0.8
108.08122	9.6
118.06558	1.1
120.08180	1.6
122.06055	2.1
130.06592	0.8
132.08070	1.5
134.06078	1.1
136.07597	9.9
146.06056	1.2
148.07556	1.7
152.07146	1.0
162.05563	0.9
164.07098	9.3
178.08707	2.3
186.09233	1.1
223.08792	1.0
235.08746	2.2
236.09492	1.2
237.10265	3.2
247.08772	1.0
248.09462	1.1
249.10367	3.7
251.08224	1.4
251.11922	0.7
261.10263	2.0
262.10886	0.8
263.08130	1.7
263.11783	1.1
264.09006	1.7
265.09726	5.3
276.08890	1.1
277.09656	4.2
279.07718	1.3
279.11353	1.9
280.12201	0.9
281.12683	0.8
288.08896	0.9
289.09717	1.6
291.08115	1.6
291.11423	2.8
292.08621	0.9
293.09335	1.8
293.12769	1.3
294.10040	0.9
295.10764	0.8
297.12271	0.8
301.09769	0.9
303.11459	0.8
304.08215	1.1
305.09372	1.7
307.10791	4.5
312.14975	0.9
316.08728	0.8
317.09369	1.4
318.09967	0.9
319.10794	4.3
321.12494	0.9
323.10703	1.2
324.11380	1.2
325.12140	1.6
326.12915	1.4
329.09280	0.8
331.10745	1.1
333.08871	1.0
333.12296	1.4
335.10062	1.8
337.12268	1.8
338.13126	2.9
339.13699	2.1
340.14639	3.2
341.11771	1.2
347.10181	1.6
351.09683	1.0
351.13858	1.5
352.10837	1.3
352.14587	3.4
353.11426	4.2
353.15173	1.2
354.12408	2.7
354.16196	3.0
356.13950	1.8
359.10406	1.6
361.11975	0.9
364.10583	0.7
364.14847	1.0
365.11688	3.1
366.12271	4.9
366.16248	0.7
367.13083	5.4
368.13928	7.9
369.14716	2.0
370.15445	2.1
377.11737	0.9
378.12109	1.3
379.13150	2.4
380.14081	6.2
381.10626	1.2
381.14767	2.3
382.11652	1.8
382.15695	8.2
383.12134	1.5
383.16364	2.5
384.13257	1.4
384.17606	1.4
392.14185	1.8
393.14694	1.4
394.11786	2.1
394.15811	2.5
395.12576	4.5
396.13287	9.1
397.14151	2.6
398.15106	2.9
399.16284	1.1
400.16415	1.2
405.11084	0.8
408.13123	4.6
409.14175	4.0
410.15109	9.4
411.16013	3.2
412.16678	2.9
413.17670	0.9
420.13513	1.1
422.15375	2.1
424.12189	4.5
425.13531	1.1
426.13809	1.2
426.18753	1.7
427.15387	1.2
428.16168	2.6
437.14005	1.4
438.14621	2.9
439.15555	1.7
440.16104	2.6
442.12964	1.1
442.18225	1.3
443.18704	1.1
452.16406	2.5
455.14749	1.3
456.15533	3.5
466.14059	1.9
468.11795	0.9
470.17935	5.6
472.19174	1.0
484.15210	2.5
486.20334	1.9
488.18097	1.0
498.16785	3.0
500.18494	2.2
501.19452	1.1
502.20319	1.8
512.17688	0.8
514.20245	1.2
516.17957	1.5
526.15765	1.0
530.19330	2.4
540.17963	1.3
548.20300	2.8
558.18738	13.6
559.19244	4.0
561.21851	1.2
590.21356	19.6
591.21808	1.3
602.17841	13.2
603.18506	25.6
604.19116	6.7
616.18805	1.5
631.22021	2.7
634.20374	100.0
635.20587	6.6
649.23022	3.1
675.21295	6.6
693.21948	17.5
694.22266	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	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.3
53.03937	2.5
55.01866	4.4
55.05515	22.0
57.03212	1.2
57.03440	11.3
57.07085	2.4
59.04999	3.0
61.02918	4.0
65.03944	2.9
67.05511	52.8
67.05870	2.7
69.03425	1.9
69.07082	11.0
71.01334	1.7
71.04992	1.5
71.59438	1.1
75.42384	1.1
79.05499	35.1
79.05956	2.0
81.03419	7.0
81.07061	58.3
82.43456	1.2
83.02441	1.1
83.04977	3.3
83.08619	12.0
85.02902	3.7
85.06544	3.2
86.09695	1.8
86.35472	1.2
91.03960	1.1
91.05486	36.3
91.62566	1.1
93.07053	41.7
94.07398	1.2
95.04983	8.6
95.08047	2.4
95.08616	33.1
97.02882	4.7
97.06538	5.7
97.10168	5.0
98.50731	1.1
99.00814	14.1
99.08094	1.2
105.07035	22.1
107.04936	6.5
107.08603	23.8
109.02891	10.4
109.06518	3.0
109.10164	17.1
111.04456	2.0
111.08082	5.2
115.03971	2.8
115.05436	1.2
117.07061	6.1
119.08585	16.9
121.06528	7.5
121.10155	15.1
123.04461	2.2
123.08060	2.2
123.11678	6.2
125.00060	1.7
127.03902	3.4
129.07028	1.7
131.08597	8.3
133.06479	2.3
133.10144	34.7
135.08119	1.2
135.11711	14.1
137.06064	1.5
137.09615	2.0
137.13246	2.2
139.07542	3.6
143.08549	3.6
145.10100	5.4
147.11676	5.9
149.13278	7.1
151.11201	9.3
154.67300	1.1
159.11694	4.8
161.09644	16.4
161.13289	3.1
163.14807	3.8
171.08131	3.8
173.13264	4.0
179.10686	9.4
184.07384	5.3
185.25224	1.1
187.14915	1.8
189.09088	8.4
197.11765	2.8
201.16309	1.4
207.10179	3.7
221.14235	1.3
225.11212	15.4
243.12331	3.3
243.21049	5.8
248.40558	1.2
259.20575	1.4
261.22147	17.1
281.13849	4.9
299.14905	96.4
300.15140	2.4
315.23099	3.0
317.24734	3.8
332.90305	1.3
335.25827	100.0
336.26215	3.7
409.58432	1.2
431.29492	1.9
449.30243	2.6
467.31531	5.4
485.32706	2.4
513.36182	1.8
531.36566	2.2
541.35315	8.9
559.36353	50.3
560.36658	2.7
687.65564	1.4
755.90656	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	756.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.4
55.01864	14.4
55.05512	39.3
57.03432	16.3
58.88638	4.4
59.04999	5.7
59.54496	4.7
65.03942	4.9
67.05511	68.8
69.03404	6.6
69.07066	27.4
71.05009	9.9
71.59003	7.7
79.05495	95.2
81.03412	21.8
81.07067	66.8
83.01337	7.7
83.04986	17.9
83.08655	23.6
85.02911	12.4
86.09727	8.0
90.10696	4.4
91.05488	98.4
93.07048	98.6
95.04971	22.8
95.08627	50.5
97.06557	10.6
97.10172	6.4
105.07035	98.9
107.04970	12.8
107.08609	54.8
109.06529	10.3
109.10177	20.1
115.05462	5.2
117.07019	32.0
119.08594	79.9
121.06488	8.0
121.10147	31.9
123.08070	13.9
125.00011	8.7
125.09625	10.5
129.07008	21.0
131.08574	32.6
133.10126	60.1
135.11656	29.1
142.07829	5.2
143.08557	12.9
145.10129	42.0
147.08032	6.0
147.11688	48.3
149.13290	12.4
155.08574	6.3
157.10085	11.2
159.11705	25.5
161.13286	27.5
163.11163	34.4
171.11665	17.6
173.09612	6.7
173.13300	15.4
175.14882	10.8
176.26273	5.5
184.07393	20.0
185.13248	11.4
187.14961	5.6
199.14861	16.1
209.11777	14.5
219.13869	4.7
227.12831	19.7
231.21107	6.6
241.19530	25.1
259.20569	100.0
275.20056	9.8
283.15430	89.8
297.22205	7.1
315.23273	9.4
333.24216	65.5
414.36887	5.9
431.29730	5.4
449.30573	6.1
466.73462	6.0
467.31638	9.8
523.34235	11.6
541.35321	88.7
542.35358	6.3
559.36267	36.0
670.56927	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	754.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91221	3.5
53.03946	9.3
53.44959	2.7
53.83545	3.0
55.01864	5.1
55.05515	25.6
57.03422	11.5
57.07071	3.3
60.79008	2.9
61.88003	3.4
65.03946	4.1
67.05173	4.2
67.05511	65.5
69.07072	17.3
69.76575	3.1
70.67700	8.5
79.05499	100.0
81.03414	11.0
81.07064	63.4
83.04978	12.1
83.08610	9.0
85.06549	5.1
91.05492	99.0
93.07050	97.2
93.66963	3.1
95.04974	27.1
95.08611	44.4
96.48916	2.6
97.02891	2.8
97.06542	7.3
97.10146	5.9
103.05461	3.7
105.07038	82.1
106.42359	2.8
107.04971	6.3
107.08591	38.7
109.06515	7.3
109.10146	8.6
111.08074	5.6
115.05582	3.2
117.07047	24.5
119.08586	54.4
121.06528	4.5
121.10153	22.6
123.08080	6.4
129.07028	26.4
130.07353	2.8
131.08603	22.0
133.10126	42.5
135.08049	4.6
135.11674	18.0
141.06937	4.5
142.07742	2.9
143.08582	14.1
145.03073	3.0
145.10123	30.9
147.08014	5.0
147.11700	56.6
149.13257	10.1
157.10120	9.4
159.11697	24.3
161.09589	5.4
161.13258	35.2
163.14841	3.7
168.33514	3.4
169.10091	6.1
171.11687	30.1
173.13234	6.3
175.14877	13.7
177.12735	3.7
185.13309	9.0
189.12776	10.0
199.14899	3.5
207.13849	26.0
231.17218	3.5
231.21193	4.3
241.19521	33.5
259.20578	66.5
261.22375	6.3
265.86252	3.0
279.15915	21.5
281.17508	84.9
315.23273	7.5
333.24319	62.2
392.91980	2.9
410.04654	3.3
447.33035	6.0
465.33603	7.9
483.34879	6.8
539.37384	77.2
540.37646	6.1
557.38287	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	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.3
53.03937	2.5
55.01866	4.4
55.05515	22.0
57.03212	1.2
57.03440	11.3
57.07085	2.4
59.04999	3.0
61.02918	4.0
65.03944	2.9
67.05511	52.8
67.05870	2.7
69.03425	1.9
69.07082	11.0
71.01334	1.7
71.04992	1.5
71.59438	1.1
75.42384	1.1
79.05499	35.1
79.05956	2.0
81.03419	7.0
81.07061	58.3
82.43456	1.2
83.02441	1.1
83.04977	3.3
83.08619	12.0
85.02902	3.7
85.06544	3.2
86.09695	1.8
86.35472	1.2
91.03960	1.1
91.05486	36.3
91.62566	1.1
93.07053	41.7
94.07398	1.2
95.04983	8.6
95.08047	2.4
95.08616	33.1
97.02882	4.7
97.06538	5.7
97.10168	5.0
98.50731	1.1
99.00814	14.1
99.08094	1.2
105.07035	22.1
107.04936	6.5
107.08603	23.8
109.02891	10.4
109.06518	3.0
109.10164	17.1
111.04456	2.0
111.08082	5.2
115.03971	2.8
115.05436	1.2
117.07061	6.1
119.08585	16.9
121.06528	7.5
121.10155	15.1
123.04461	2.2
123.08060	2.2
123.11678	6.2
125.00060	1.7
127.03902	3.4
129.07028	1.7
131.08597	8.3
133.06479	2.3
133.10144	34.7
135.08119	1.2
135.11711	14.1
137.06064	1.5
137.09615	2.0
137.13246	2.2
139.07542	3.6
143.08549	3.6
145.10100	5.4
147.11676	5.9
149.13278	7.1
151.11201	9.3
154.67300	1.1
159.11694	4.8
161.09644	16.4
161.13289	3.1
163.14807	3.8
171.08131	3.8
173.13264	4.0
179.10686	9.4
184.07384	5.3
185.25224	1.1
187.14915	1.8
189.09088	8.4
197.11765	2.8
201.16309	1.4
207.10179	3.7
221.14235	1.3
225.11212	15.4
243.12331	3.3
243.21049	5.8
248.40558	1.2
259.20575	1.4
261.22147	17.1
281.13849	4.9
299.14905	96.4
300.15140	2.4
315.23099	3.0
317.24734	3.8
332.90305	1.3
335.25827	100.0
336.26215	3.7
409.58432	1.2
431.29492	1.9
449.30243	2.6
467.31531	5.4
485.32706	2.4
513.36182	1.8
531.36566	2.2
541.35315	8.9
559.36353	50.3
560.36658	2.7
687.65564	1.4
755.90656	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	754.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.05508	4.6
57.07060	1.4
65.03941	1.8
67.05514	9.3
69.03425	4.5
69.07080	7.6
69.84167	4.2
69.84563	2.2
79.05494	9.7
81.03401	2.4
81.07067	23.2
83.04984	2.4
83.08615	4.4
85.02908	7.1
87.00833	1.9
91.05484	12.6
93.07047	24.9
95.04943	2.0
95.08618	36.0
97.02888	3.1
97.06546	2.4
97.10184	2.0
98.20827	1.8
105.01886	1.4
105.07038	26.3
107.08608	45.0
109.02831	1.6
109.06544	3.4
109.10164	22.6
111.08092	6.4
115.05399	1.4
117.07018	4.5
119.08591	38.6
121.10151	22.1
123.08073	2.9
123.11710	6.2
125.09636	19.9
127.03936	2.3
129.06996	1.6
131.08591	16.7
132.47713	1.3
133.09219	2.4
133.10135	25.6
135.08023	1.7
135.11736	9.7
137.09590	2.8
137.13217	1.6
143.08546	5.4
144.09370	1.8
144.96553	1.3
145.09024	2.5
145.10130	31.0
146.05934	1.4
147.11710	15.1
149.09618	3.1
149.13268	8.3
157.10170	7.9
157.43660	1.2
159.11719	25.1
161.13260	10.0
163.03975	2.3
163.11217	2.1
163.14839	10.6
165.82675	1.2
169.10127	2.5
171.11652	6.6
173.13293	20.5
174.13959	1.6
175.14842	17.8
177.16382	17.2
179.10703	1.5
180.08665	2.5
183.11740	1.6
184.12454	1.5
185.13234	6.5
187.14841	42.4
189.12614	1.7
189.16394	31.3
191.17943	7.5
193.15834	2.6
199.14867	10.9
201.14561	2.5
201.16400	41.8
203.14330	3.5
203.17969	18.6
205.15891	9.9
207.17435	1.8
211.14799	1.8
213.16396	15.5
215.14288	1.3
215.17960	19.3
217.15793	2.0
217.19536	2.8
219.17436	7.4
225.16362	3.3
227.17981	4.3
229.19539	5.3
231.17419	3.2
233.15367	1.6
233.18965	4.3
235.16922	5.8
239.17874	2.5
241.19533	3.6
243.17484	1.4
243.21021	2.4
247.16882	7.8
249.18536	2.6
251.40094	1.3
255.21133	2.6
259.16687	1.8
261.18591	7.9
267.21094	2.3
275.20035	2.6
283.24146	2.2
287.20062	1.3
295.24249	1.6
341.24640	3.6
343.26077	1.9
344.31485	1.7
379.33636	8.4
389.32016	13.8
407.33124	36.9
408.33072	2.0
409.34909	2.7
423.32480	3.0
425.34064	8.0
435.32626	29.5
453.33701	100.0
454.33853	5.1
471.34589	3.0
511.33902	3.5
557.34216	4.6
615.38580	3.1
678.25165	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	754.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	5.6
55.01860	4.4
55.05509	4.8
57.03419	3.7
57.07068	1.7
61.02919	2.5
67.05506	8.4
68.99783	3.1
69.03136	1.0
69.03439	11.3
69.07061	8.0
70.75293	2.7
71.04999	3.3
73.02914	3.7
74.97382	1.3
79.05498	7.5
81.03422	15.1
81.06638	1.7
81.07066	19.2
83.04988	15.0
83.08609	4.9
85.02905	28.9
87.00833	16.3
91.04005	1.7
91.05495	9.3
93.07052	21.6
95.04978	5.4
95.08611	32.4
97.02296	1.1
97.02898	21.0
97.06512	2.4
97.10176	2.8
99.04476	7.2
105.01867	14.4
105.07032	24.3
107.08601	32.4
108.04539	1.4
109.02890	18.8
109.06528	3.1
109.10156	17.1
111.04439	1.4
111.08028	1.8
117.01853	1.8
117.07008	2.7
119.08585	33.0
121.10152	23.1
123.08080	3.3
123.11683	6.4
125.09628	6.7
127.03932	28.8
129.01839	1.6
129.06984	1.5
131.08582	9.6
133.10141	23.3
135.08083	2.3
135.11708	12.7
137.13255	1.6
142.10748	1.1
143.08553	4.0
144.09416	1.1
145.04953	9.9
145.10141	22.1
147.11690	33.2
149.09622	2.4
149.13272	14.3
151.11200	1.4
153.09169	1.9
157.10141	5.4
159.02890	6.4
159.11696	19.2
161.09671	1.4
161.13264	20.5
163.11098	1.4
163.14816	11.9
165.16411	1.2
166.68787	1.1
167.10683	1.1
171.11667	2.6
173.04529	1.6
173.13249	17.5
173.23172	1.0
174.13892	1.1
175.14828	29.3
177.12885	1.6
177.16380	25.7
185.13190	5.0
187.14838	27.8
189.16394	29.9
191.14268	3.5
191.17978	6.5
193.15889	2.0
197.13326	2.0
199.14821	9.4
201.16391	25.6
203.14270	5.3
203.17960	47.0
205.15889	45.1
205.19505	3.9
207.17369	1.9
213.03923	4.3
213.16385	11.2
215.17941	8.8
217.15912	8.4
217.19521	1.4
219.17456	3.9
221.15408	5.2
221.18918	1.5
223.16911	3.9
225.16394	2.2
227.17946	3.1
229.16058	1.3
229.19518	3.1
231.04961	7.0
231.17473	4.4
231.21127	2.7
233.15446	1.3
233.19069	2.2
235.16887	3.5
239.17967	2.1
241.19536	2.7
243.21146	2.7
247.16914	4.3
249.18539	14.8
259.16925	1.7
261.18439	3.9
267.21286	1.7
283.23923	1.2
341.24759	1.6
357.27887	2.1
371.29340	2.9
389.32193	7.2
395.29346	5.6
407.33115	29.4
408.33401	2.1
409.34570	3.7
423.32431	4.7
425.34134	32.7
426.34601	1.5
435.32697	18.7
443.35104	5.4
453.33667	100.0
454.33932	4.2
471.34714	11.0
611.35681	1.2
701.38763	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	753.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
53.21977	1.2
55.01870	1.8
55.05510	7.8
57.07072	2.0
61.20350	1.5
65.03957	1.6
67.05504	8.3
69.03433	9.3
69.07073	12.7
69.34639	12.4
71.59187	1.5
77.03886	1.4
79.05497	10.0
81.03424	6.1
81.07063	27.3
83.04992	2.5
83.08622	6.0
85.02914	14.6
87.00833	5.6
91.05495	13.3
93.07059	25.5
95.04968	5.6
95.08619	44.7
95.09232	3.0
97.02914	4.1
97.06531	4.8
97.10183	2.4
99.04438	3.4
105.01880	2.7
105.07039	50.8
107.08603	39.6
109.02889	4.8
109.06548	6.7
109.10168	24.6
111.08097	3.4
117.07023	5.1
119.08588	66.8
121.06532	6.2
121.10154	28.0
123.04438	1.9
123.08081	5.7
123.11718	6.2
125.09634	2.0
127.03946	9.3
129.06995	3.6
131.08582	38.4
133.10143	52.1
134.10541	1.4
135.08055	3.4
135.11705	14.8
137.09608	3.8
142.07788	2.4
143.08545	11.6
144.09322	2.0
145.10138	61.5
146.10550	1.7
147.08086	4.3
147.11703	32.5
149.09641	5.6
149.13263	13.9
153.09132	2.7
155.08636	1.8
156.09366	2.9
157.10120	18.1
158.10902	2.9
159.11710	43.0
161.09573	7.9
161.13295	24.4
163.03915	2.2
163.11200	6.4
163.14816	21.6
165.12817	1.8
167.10634	1.7
169.10149	2.6
170.10930	3.1
171.11696	10.7
172.12521	1.8
173.09599	2.7
173.13284	63.9
174.13824	1.8
175.11217	4.5
175.14854	37.8
177.05560	1.8
177.12802	5.0
177.16411	17.9
179.10660	2.7
183.11752	4.9
185.13271	17.8
186.58191	1.7
187.14844	66.5
188.15230	2.4
189.12758	5.3
189.16405	20.9
191.14333	83.0
191.17897	11.9
192.14653	2.0
193.12221	2.4
193.15936	3.7
197.13216	3.3
199.14816	14.8
201.16400	100.0
202.16588	2.3
203.14339	25.6
203.17981	61.7
205.15891	15.8
205.19493	2.5
207.13829	1.4
207.17522	2.4
211.14803	3.5
213.03996	4.3
213.16414	11.2
215.14359	3.2
215.17966	6.3
217.15854	8.3
217.19472	3.0
219.17493	9.1
221.15372	57.4
223.16959	3.5
227.17894	4.1
229.15898	5.9
229.19537	3.9
231.04988	2.9
231.17500	5.6
233.15311	3.0
235.16939	6.2
239.16353	11.5
243.17509	3.0
247.16972	46.5
248.17450	1.8
249.18535	4.7
267.21164	2.5
269.22668	2.2
365.28168	2.5
375.30402	3.7
387.30563	6.1
389.32339	2.9
393.31519	6.4
405.31494	19.2
407.33224	5.3
411.32773	2.7
421.30981	4.5
423.32626	56.1
424.32770	3.4
425.34317	21.5
433.30960	5.1
439.31927	8.4
441.33740	15.5
443.35400	2.1
451.32101	19.1
469.33203	27.6
470.32709	1.7
487.34186	9.2
505.35205	4.6
539.24329	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	753.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.01872	3.7
55.05518	12.1
57.03434	1.8
58.18618	1.5
61.02929	2.6
67.05502	9.7
68.99799	1.7
69.03438	17.8
69.07076	15.5
69.53301	11.0
71.04990	3.5
73.02907	1.5
79.05495	11.8
81.03432	9.5
81.07063	30.7
83.04990	33.3
83.08621	7.3
85.02911	32.1
85.06601	2.0
87.00833	12.0
91.05486	18.4
93.07043	39.2
95.04987	8.0
95.08609	52.2
97.02908	11.7
97.06527	2.4
97.10149	2.7
99.04452	5.5
99.08082	2.2
105.01878	14.2
105.06308	1.6
105.06498	1.0
105.07034	50.7
107.08597	51.0
109.02885	12.0
109.06510	5.4
109.10161	31.3
111.04452	3.9
111.08094	7.1
117.07059	7.9
119.08588	72.3
121.10153	30.8
123.08077	6.6
123.11723	10.7
125.09629	11.4
127.03926	23.7
129.06998	2.8
130.07813	1.7
131.08575	30.5
133.10138	51.5
135.08069	2.4
135.11681	16.6
137.09663	2.6
137.13266	3.4
141.06996	1.8
142.07764	2.9
143.08553	14.6
144.09406	2.9
145.04968	4.0
145.10138	49.9
147.07982	2.2
147.11697	42.7
149.09657	4.3
149.13245	18.7
151.11203	3.0
153.09131	2.1
155.08585	3.2
156.09401	3.8
157.10146	18.0
158.11009	1.8
159.02917	1.8
159.11705	46.1
161.09628	4.6
161.13264	34.9
163.07555	2.3
163.11241	3.4
163.14825	16.1
165.12738	1.9
169.10127	2.7
170.10814	2.8
171.11716	16.5
172.12447	3.0
173.13272	41.4
175.11244	2.9
175.14838	33.5
177.09210	1.8
177.12767	3.3
177.16380	22.1
179.10672	2.9
183.11751	6.6
185.13275	25.5
187.14839	54.2
189.12801	4.0
189.16376	23.2
191.14319	14.7
191.17928	9.2
193.15880	2.5
197.13292	5.7
199.14842	22.2
201.12784	3.1
201.16389	73.8
203.14351	20.8
203.17966	31.9
204.18269	1.8
205.15891	39.4
209.13284	3.3
211.14819	5.4
213.04012	2.9
213.16376	16.2
215.14328	6.0
215.18004	8.4
217.15939	13.3
219.13910	2.6
219.17427	11.5
221.15355	18.6
223.14880	2.7
225.16389	6.6
227.17969	5.7
229.15976	4.6
229.19495	2.5
231.04979	5.6
231.17473	7.6
233.15433	3.1
235.16992	6.5
237.16609	1.6
239.18102	3.4
241.19479	3.0
245.15411	4.5
247.16937	30.2
249.14708	10.3
249.18478	3.6
251.18025	2.5
253.19638	3.9
257.19003	2.7
259.16977	3.3
263.16376	2.7
267.21066	3.2
273.18518	2.1
279.21164	2.7
281.22733	2.9
323.27176	2.3
347.27325	3.4
355.26419	2.5
359.95038	1.7
365.28601	2.6
369.27774	2.8
377.31995	2.4
387.29767	6.8
389.32034	2.2
393.27536	7.5
405.31512	30.5
407.33237	13.8
411.28842	9.4
421.30984	4.2
423.27429	3.0
423.32635	34.4
424.33112	1.6
425.34677	7.7
433.31088	14.3
439.31891	5.0
441.33878	13.0
451.32092	50.9
452.32269	3.8
469.33215	100.0
470.33557	6.6
487.34421	10.2
505.35455	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	752.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
53.04534	1.3
55.01870	13.1
55.05512	11.1
57.03436	3.0
61.75024	1.6
65.03957	2.8
67.05508	29.8
69.07076	19.0
69.30443	1.4
72.33268	1.4
79.05497	30.1
81.03424	4.8
81.07063	33.1
83.04998	7.8
83.08624	5.6
84.88853	1.6
90.61697	1.6
91.05486	38.1
93.07053	32.2
95.01352	4.1
95.04987	10.8
95.08607	17.3
97.06538	25.2
98.21504	3.6
105.07040	40.4
107.04960	11.8
107.08591	12.7
109.06512	3.6
109.10170	2.4
117.07011	9.0
119.08592	27.2
121.06531	2.6
121.10152	5.2
123.08028	3.5
123.11677	1.8
125.09633	2.2
129.07011	5.4
131.08557	9.7
133.10139	20.9
135.08080	1.7
135.11732	5.3
137.09599	2.6
143.08618	4.5
144.68791	1.4
145.10132	15.2
147.11690	14.7
149.09637	4.5
157.10036	1.5
159.11734	5.0
161.13304	5.8
163.11177	4.2
165.09172	1.9
171.11697	7.2
177.12711	2.1
179.14320	4.1
184.07362	1.8
187.11285	2.4
189.12842	3.1
207.13835	6.5
275.20090	45.0
275.23129	2.5
279.16003	3.6
281.17487	32.0
293.21350	4.5
349.23782	15.2
377.23846	1.5
537.35632	2.4
555.36841	100.0
556.37146	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	751.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01874	0.9
55.05505	1.6
57.03429	2.3
61.02697	0.5
61.02938	5.1
67.05508	5.2
69.03426	2.6
69.07082	0.6
71.05025	1.5
71.59473	0.9
73.02911	4.3
79.05503	5.2
81.03428	3.4
81.07070	4.2
83.05009	0.7
83.08607	0.6
85.02913	4.2
91.03961	3.2
91.05490	2.6
93.07059	4.2
95.04990	1.9
95.08611	4.1
97.02908	4.5
99.04449	1.1
101.02387	2.7
105.07055	2.0
107.08624	1.3
109.02888	1.1
117.07018	1.0
118.36030	0.6
119.08596	1.6
121.10131	3.1
127.03931	1.7
131.08604	1.5
133.10139	1.3
135.11711	1.0
145.10139	1.3
147.11646	0.8
149.09610	1.1
157.10158	0.7
159.11719	0.9
175.11287	0.8
193.12349	0.7
243.08456	1.6
283.15125	4.3
307.22696	0.9
491.26141	8.7
501.23083	6.1
751.42389	100.0
752.43030	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	751.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.7
69.64558	15.1
81.07059	6.0
91.05542	2.7
91.49714	2.8
93.07099	3.2
94.06562	3.2
95.04945	2.6
95.08606	3.1
103.05455	3.9
108.30013	2.3
109.10155	3.4
112.32713	2.5
116.10751	3.2
123.04436	3.7
131.04912	12.6
131.08632	3.6
132.59990	2.2
133.10060	3.4
135.04372	3.8
136.07497	2.5
146.06012	6.3
147.04443	9.4
163.03943	9.1
191.03386	2.9
253.13467	3.3
289.09418	4.3
290.10309	3.7
295.05783	2.6
303.10864	4.6
309.12210	6.0
333.08624	4.2
335.10059	49.7
336.10492	2.9
361.11572	5.5
368.17715	2.9
392.17468	3.0
398.15671	2.8
421.13623	7.4
433.10214	6.9
436.16092	5.2
465.12527	23.8
467.14450	3.5
468.15118	10.2
480.15329	24.6
494.16830	4.6
542.18958	2.8
562.22955	2.6
571.22406	4.2
587.22522	7.6
615.21875	15.3
631.25269	7.1
633.23199	34.2
647.24243	8.5
665.25775	60.3
666.26227	4.0
675.24329	100.0
676.24731	6.7
701.21991	10.6
707.26910	24.5
715.81146	2.8
719.23285	60.8
720.23059	4.8
733.25067	15.1
751.25995	47.5
752.25873	4.9
778.23846	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	751.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15837	1.8
67.05499	4.1
70.18446	5.0
70.18838	3.6
79.05494	4.3
81.03420	2.4
81.07084	2.9
85.02890	3.4
85.74894	2.7
91.05485	5.3
93.07076	4.3
94.06589	2.9
95.08624	5.2
98.20860	2.4
107.08601	4.2
108.08137	3.0
108.13467	2.1
109.10161	6.3
116.10783	2.2
119.04960	2.7
119.08605	2.8
120.08102	2.4
122.06009	2.8
123.20775	2.1
131.04980	2.3
131.08560	3.0
131.79103	2.1
133.10106	2.4
135.04431	3.1
136.07649	2.3
145.10133	4.6
145.38199	2.5
146.06055	6.4
147.04416	14.7
163.03940	5.1
171.11583	3.1
173.13335	2.5
175.14804	2.3
185.13275	3.3
187.14801	2.2
199.14856	3.2
201.16441	2.2
205.15910	3.5
206.16246	2.5
237.10182	3.0
253.13437	3.2
263.11438	3.0
275.11676	2.6
289.09518	6.6
295.06000	3.2
303.11078	3.3
309.12262	3.5
322.83792	2.1
335.06290	3.7
335.10065	52.8
354.15903	3.1
361.11514	7.1
407.12296	2.7
408.12924	3.8
414.18008	2.7
421.13705	4.6
436.16370	4.5
461.23529	2.8
465.12885	6.2
468.15030	12.5
480.15363	22.6
494.17023	3.2
542.19080	3.0
547.22913	2.7
571.23718	3.0
587.22449	5.9
589.23541	4.1
615.22418	13.7
631.25000	6.9
633.23389	25.8
647.24054	7.3
665.25812	77.6
666.25488	4.6
675.24280	100.0
676.24353	5.1
701.21765	6.7
707.26807	27.6
719.23279	44.5
720.23157	4.6
733.24707	13.2
751.25726	60.0
752.26166	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	749.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.05509	1.5
57.03441	2.4
57.07059	0.7
60.57466	0.5
61.02927	6.0
61.23259	0.5
67.05505	7.5
69.03437	4.2
69.07072	1.8
69.61068	3.4
71.04980	2.6
73.02923	5.0
75.10754	0.4
79.05505	4.3
81.03429	2.5
81.07063	5.5
83.04992	0.8
83.08647	1.2
85.02909	5.3
86.09715	0.5
87.04463	1.4
91.03961	2.9
91.05472	2.9
93.07051	5.7
95.04952	1.1
95.08611	4.1
96.46664	0.4
97.02894	5.3
97.06542	0.5
97.43980	0.4
97.46526	0.4
99.04488	1.0
101.02392	1.6
103.03941	0.7
105.07047	1.3
107.08629	3.0
109.02901	0.8
109.10172	3.7
111.08095	0.6
115.03908	0.5
117.07058	0.5
119.08606	2.1
121.10183	2.0
127.03928	1.6
131.08566	0.6
133.10196	1.4
135.11710	1.9
137.09641	1.1
145.10146	1.3
147.11772	0.5
149.13344	0.6
159.11768	0.6
163.11195	0.8
166.58162	0.6
175.14914	0.6
180.49222	0.5
184.07362	1.3
185.04250	0.7
209.11679	0.4
217.83371	0.5
243.08461	2.6
243.16064	0.6
253.14267	1.7
311.26453	0.6
313.27512	0.7
335.26074	0.8
387.42651	0.5
469.20612	0.9
471.21921	3.7
519.29327	8.3
594.90808	0.6
749.44446	100.0
750.45032	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	747.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
57.03434	2.6
61.02935	4.5
67.05514	5.0
69.03429	2.7
69.07050	1.4
70.20013	3.8
73.02914	3.1
79.05499	2.4
81.03403	2.2
81.07048	5.1
83.08619	0.9
85.02919	5.2
91.03946	1.8
91.05492	2.3
93.07051	2.8
95.04976	1.1
95.08617	3.0
97.02905	5.1
101.02374	1.3
103.03959	1.2
105.07047	1.4
107.04988	1.4
107.08568	1.4
109.10163	2.6
119.08574	1.5
121.10162	1.8
121.80363	0.9
127.03887	1.1
148.61353	1.0
155.24007	0.9
163.11227	2.5
172.05154	1.0
195.00333	2.7
203.05406	1.0
243.08423	1.7
263.12939	1.0
467.19083	7.4
521.31049	3.7
747.42896	100.0
748.43195	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	747.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05510	2.3
57.03439	2.3
61.02940	4.6
67.05514	5.4
68.75621	0.6
69.03432	3.3
69.07076	1.6
69.56419	3.8
71.01369	0.7
71.05013	1.1
73.02935	4.5
79.05492	4.9
79.89558	0.5
81.03419	4.5
81.07067	5.0
83.08640	1.0
85.02916	6.8
86.09702	0.7
91.03954	3.2
91.05491	2.9
93.07057	4.5
93.36071	0.5
95.04987	2.2
95.08611	3.6
97.02895	4.9
97.06551	1.0
99.04477	1.2
101.02387	2.3
105.07053	2.7
105.22203	0.5
107.04946	0.6
107.08632	1.1
109.06580	0.6
109.10171	1.3
111.08056	0.7
115.03930	0.5
119.08612	1.5
121.10156	1.5
127.03947	1.6
128.14861	0.5
129.06967	0.5
131.08580	1.2
133.10155	1.6
135.11742	0.6
145.10199	0.6
147.11717	1.7
166.23592	0.4
167.20364	0.5
173.00806	0.5
175.11176	0.8
184.07350	1.2
185.04230	1.0
193.12350	0.9
211.13257	0.8
226.47507	0.5
226.49930	0.5
243.08466	2.4
251.12682	0.6
274.59241	0.5
335.25848	0.6
410.85049	0.5
469.20499	8.0
519.29401	4.6
550.42072	0.4
747.42932	100.0
748.43304	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05514	1.4
57.03442	1.8
61.02928	5.2
64.96954	0.4
67.05510	5.3
69.03429	2.7
69.07068	2.3
71.05018	0.8
73.02931	3.7
79.05483	4.2
81.03423	3.1
81.07063	4.8
83.08620	1.1
85.02912	5.8
91.03968	3.0
91.05482	2.9
93.07052	3.5
95.04984	1.4
95.08620	4.6
97.02908	5.0
99.04481	0.6
101.02390	1.9
105.07061	1.6
107.08588	2.5
109.02859	1.0
109.10196	1.7
111.08103	0.6
115.03962	0.5
117.07037	0.5
119.08617	1.4
121.10177	2.2
127.03952	1.5
131.08601	0.8
133.10167	1.4
135.11734	1.0
145.04988	0.7
145.10120	0.7
147.11720	1.1
149.13281	0.5
157.10216	0.7
184.07401	1.2
184.47980	0.4
191.12070	0.4
193.12244	0.8
203.05347	0.5
214.59935	0.4
243.08514	1.8
251.12616	1.3
267.15976	0.8
335.25949	0.8
469.20703	3.2
519.29260	8.2
519.36700	0.6
520.71661	0.5
747.42926	100.0
748.43207	6.1
752.55927	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	747.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
59.71119	1.9
61.62867	2.4
66.00655	1.9
66.48368	2.3
67.05506	6.3
69.46278	14.4
69.87605	2.1
70.06577	3.4
79.05482	6.9
79.11645	2.2
80.05045	3.5
81.03421	3.4
81.07066	4.1
85.06533	2.5
89.03938	2.7
91.05485	5.4
93.05749	2.6
93.07038	8.5
94.06558	7.7
97.02869	2.8
103.05486	11.9
105.05814	3.3
105.07033	4.8
108.08115	19.5
109.06538	2.4
110.09669	2.9
116.05001	4.8
117.03362	5.8
118.06525	4.8
120.04466	4.2
120.08115	34.2
122.06056	25.3
122.09684	6.9
124.07633	3.4
131.04913	17.8
136.07591	39.9
138.05495	5.4
138.09100	5.3
144.04437	8.8
145.02884	13.1
146.05995	6.2
148.07587	100.0
149.05957	3.1
149.07872	4.6
149.87726	2.1
150.09109	9.0
152.07021	3.5
162.05528	6.7
163.03899	5.2
164.07051	8.8
165.09109	5.5
166.08603	9.3
172.03958	42.2
173.04315	2.2
174.05521	3.9
177.05470	22.9
190.05025	15.2
197.10832	3.1
199.12227	3.8
200.07155	2.5
204.04677	4.7
204.06569	56.2
205.06761	4.2
209.10841	3.1
211.08751	2.8
211.12393	2.4
212.09465	7.3
213.10126	2.6
214.08685	2.2
222.11316	2.9
224.09550	4.4
225.10229	13.8
227.11728	10.0
235.08684	4.9
236.09322	4.2
237.10260	19.6
238.10887	4.1
239.08203	2.4
239.11716	11.7
241.09686	4.3
247.08549	2.9
248.09483	5.6
249.10239	14.4
250.11086	10.4
251.08076	3.2
251.11780	17.3
252.08746	19.3
252.12503	4.2
253.09750	12.7
253.13391	2.8
255.11253	10.8
263.11768	31.5
264.09042	5.3
264.12445	3.8
265.09790	20.0
265.13489	3.1
266.10333	5.2
267.11404	10.7
269.12875	4.4
271.10767	7.9
277.09680	8.6
277.13043	2.0
278.06546	2.7
278.10413	5.6
279.11328	28.0
280.12027	4.4
281.12830	8.4
281.96570	2.6
282.10114	6.2
283.10776	11.0
284.11401	2.9
285.12375	13.4
287.13913	8.0
290.10394	3.5
291.11411	14.4
292.11960	2.7
293.09219	13.0
293.12585	4.1
294.09839	4.5
295.10760	6.3
297.12329	10.7
304.13766	2.2
307.10840	14.0
309.12338	34.3
310.12885	3.7
311.10486	2.4
312.11295	4.2
313.11816	6.5
315.13293	2.8
319.10757	4.6
323.10284	5.4
323.13678	4.5
325.11880	23.0
327.13455	5.5
328.14313	3.4
335.10217	8.6
337.11877	18.0
339.13571	17.6
340.14169	4.2
341.11218	8.5
342.12216	3.0
342.16129	3.8
349.11707	7.4
351.13498	3.0
353.11285	9.1
354.11932	2.9
354.16055	2.7
355.12918	17.4
355.16547	3.4
356.13895	3.1
357.14374	13.2
359.12402	2.8
367.12796	6.8
368.13724	3.7
369.14499	16.0
370.15329	4.1
373.13943	5.0
381.14365	2.9
385.13858	4.7
387.15671	20.5
398.14624	4.5
399.15585	8.4
402.18210	2.7
411.11862	8.5
418.17245	3.1
429.12686	3.6
432.19138	3.6
440.15494	5.2
443.14520	13.4
458.17166	9.3
460.18530	9.1
476.17889	6.0
478.19040	3.1
488.18091	25.5
489.17981	3.2
490.19501	9.8
502.19659	3.9
504.20895	4.0
506.19263	4.3
508.20584	7.5
520.20490	7.7
532.22137	2.9
538.22113	2.7
548.19812	4.9
551.18884	4.9
562.21686	10.2
564.19696	8.5
574.17719	6.1
576.19513	11.9
580.22968	2.7
592.19269	67.8
593.19818	3.2
594.20721	6.2
596.22522	4.1
606.20953	34.4
607.21252	9.4
608.22235	26.6
611.24115	5.9
619.50562	2.6
624.21619	28.6
639.25244	2.9
653.25812	4.7
697.24786	18.9
698.23145	3.0
729.26868	6.5
747.36365	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	747.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
56.55621	0.7
62.21761	0.8
65.03943	1.3
65.59447	0.8
67.05512	1.4
69.45020	1.8
69.45428	4.2
74.74657	0.8
75.58619	0.7
79.05508	4.1
80.05038	1.1
91.05470	2.5
92.05013	0.9
93.05799	1.6
93.07042	4.7
94.06581	7.4
95.04940	0.8
96.08141	0.8
98.21507	1.3
103.05462	4.3
105.05801	1.4
106.06552	1.2
108.04469	1.3
108.08133	15.6
110.09705	1.9
116.04987	3.9
118.06549	3.2
119.07339	1.3
120.04482	5.8
120.08122	30.8
122.06044	20.7
122.09663	2.2
124.07575	2.8
134.06024	3.5
136.07597	41.3
136.08667	2.1
138.05545	9.5
138.09177	3.9
144.04460	12.5
146.06020	9.8
148.07593	86.9
149.07945	2.1
150.05537	1.1
150.09152	2.8
152.07100	2.0
160.03966	2.3
160.07535	1.3
162.05548	6.1
164.07097	1.3
166.04974	3.2
166.08676	8.8
172.03955	67.5
173.04318	1.4
174.05536	2.9
176.07147	1.5
178.04970	1.3
182.09660	1.3
183.09178	1.3
184.10066	1.0
185.10760	1.1
186.05476	1.3
188.07162	1.4
190.05016	20.6
194.08189	0.8
194.09727	1.2
195.09087	0.8
197.10666	2.5
198.11522	1.4
199.12276	1.2
204.06595	100.0
205.06792	2.3
206.08098	1.6
208.09637	0.9
209.10786	2.7
210.09178	0.9
210.11443	1.1
211.08661	2.0
211.12309	1.9
212.09344	4.3
213.10278	2.7
223.08711	2.2
223.12297	2.7
224.09402	3.3
225.10257	9.2
226.10948	2.3
227.11856	10.6
229.09944	0.9
234.07509	1.0
235.08665	2.2
236.09288	4.5
237.10236	15.6
238.10933	3.9
239.08116	1.7
239.11778	5.8
241.09694	3.1
241.13470	1.5
243.11247	0.9
249.10242	1.9
250.07214	1.5
250.11041	0.9
251.08109	1.3
251.11818	8.6
252.08690	20.5
252.12682	1.8
253.09746	8.4
253.13370	2.1
255.11331	14.4
257.12775	1.1
261.10400	1.1
263.08179	1.0
263.11871	2.0
264.08990	2.5
265.09766	23.2
265.12650	1.4
266.10263	2.6
267.11328	4.8
269.12790	3.1
271.10721	6.1
273.12424	1.7
277.09674	1.1
278.06711	1.6
278.10556	1.9
279.08267	1.1
279.11301	16.0
280.08578	1.0
280.11942	1.5
281.09216	2.7
281.12817	6.3
283.10953	7.3
284.11539	1.4
285.12402	2.9
287.13889	5.1
291.11139	1.2
292.08319	1.0
293.09277	16.9
293.12393	1.2
294.09979	2.3
295.10803	1.4
297.12363	7.9
299.10483	1.6
299.13876	2.1
304.13730	0.9
307.10831	11.9
309.12366	2.0
311.10245	3.1
311.13925	2.3
312.11151	1.9
313.11810	7.0
314.12827	1.0
315.13480	1.9
316.14651	1.6
323.10129	2.0
325.11871	14.9
327.13574	1.8
330.15909	1.1
335.10284	10.5
339.13455	20.2
340.10452	1.5
340.14120	1.8
341.11374	11.1
342.12268	2.5
343.13309	1.1
344.13928	1.1
344.17725	1.2
353.11313	10.9
354.12381	0.9
356.13995	1.5
357.47073	1.0
358.15488	1.1
359.12448	4.9
365.11340	1.4
367.12762	1.7
370.15738	1.5
372.17020	1.3
373.13995	2.5
385.14108	6.6
388.16446	1.2
390.18030	1.9
392.19592	1.0
398.15125	5.0
399.15726	4.2
400.16626	1.9
404.15768	1.9
411.11856	6.4
414.18246	1.8
416.15955	3.7
418.17548	2.5
429.13007	0.9
430.17679	1.7
432.19189	1.9
440.16138	1.6
442.17386	2.0
443.08539	1.6
443.14551	30.4
444.14697	2.2
446.17090	1.7
458.17206	4.4
460.18759	11.6
474.20248	1.3
488.18228	33.1
489.18521	2.5
492.21118	4.4
502.19366	1.8
506.19342	4.4
507.19641	1.3
520.20935	8.4
530.19025	1.7
538.21814	2.1
548.19873	3.4
551.18909	4.1
564.19958	10.8
574.17957	4.7
592.19312	74.2
593.18445	4.8
596.22650	8.2
606.21063	13.3
607.21326	2.3
609.27307	0.9
611.24878	3.6
624.22064	20.2
625.21521	1.2
653.25787	3.3
673.18164	0.9
697.25092	19.7
729.26843	1.6
775.75067	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	747.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
60.50703	1.7
62.39621	1.9
64.50940	1.9
65.03946	2.0
69.29507	11.9
69.29929	5.9
79.05507	4.1
87.75730	1.8
91.05496	2.7
93.07037	3.7
94.06585	10.0
96.25229	2.1
98.21484	4.2
103.05447	5.1
108.08130	13.3
116.05003	4.8
118.06538	3.0
120.04472	8.3
120.08110	35.8
122.06004	18.1
124.07616	4.7
129.89922	2.2
134.06044	3.3
136.07600	30.4
138.05482	4.5
138.09122	5.6
140.05713	2.0
144.04483	7.4
146.06007	8.7
148.07579	100.0
150.05522	3.4
162.05542	5.2
164.07065	6.5
166.05037	5.4
166.08685	10.7
172.03940	50.8
174.05511	2.9
182.08226	2.4
184.09966	2.1
190.05008	21.8
197.10829	2.6
204.06583	38.9
208.09840	3.7
209.10794	2.9
212.09448	3.8
213.10207	2.9
216.06548	2.1
222.11659	2.5
223.12448	2.7
224.09258	3.4
225.10228	9.9
226.11050	3.2
227.11801	8.5
236.09412	2.2
237.10223	17.0
238.10924	2.8
239.11838	5.4
241.09764	4.5
249.10170	3.4
250.10983	3.3
251.08087	2.2
251.11787	12.4
252.08720	26.6
252.12747	2.7
253.09755	12.0
253.13373	4.5
255.11287	11.6
257.13150	2.1
263.11884	3.2
264.08862	3.3
265.09708	21.6
266.10327	5.2
267.11212	6.4
269.12946	4.7
271.10754	5.9
278.06604	11.7
279.11261	20.4
281.09732	3.2
281.12888	10.9
283.10767	7.2
285.12296	3.6
287.13940	4.5
291.11261	3.0
292.08221	4.5
293.09253	15.8
294.10025	4.3
295.10733	4.3
297.12399	8.5
299.10489	2.5
299.13992	2.8
301.11847	2.3
307.10809	14.6
309.12372	6.8
311.10260	5.3
312.11124	4.6
313.11990	7.6
313.29691	1.9
322.84744	2.2
323.10129	2.3
325.11942	17.9
327.13330	2.1
335.10242	11.8
339.13446	9.4
340.10733	3.4
341.11343	11.7
343.13144	2.1
353.11221	12.2
359.12360	5.7
365.11115	2.1
367.12930	2.4
373.13846	4.1
382.59015	2.2
385.14337	5.2
386.14975	2.4
398.14743	2.5
411.11832	20.4
416.15762	2.5
418.17682	3.1
432.19193	2.5
443.14426	8.1
446.17230	3.0
458.17047	3.7
460.18579	9.4
488.18173	32.5
504.20923	2.6
506.19272	5.8
507.19980	2.6
520.20795	5.2
548.20270	5.7
551.18976	10.0
564.19745	6.6
574.18042	6.1
592.19312	84.5
593.19684	6.6
611.24805	2.7
624.22168	16.5
653.25940	3.8
697.24908	10.6
697.35510	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	746.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01875	4.0
55.05514	20.2
56.83872	1.3
57.02325	1.5
57.03440	19.0
57.07074	3.1
60.08163	3.5
60.79063	1.3
61.02915	1.7
65.03951	3.2
67.05511	59.8
67.05874	2.9
69.03439	3.9
69.07070	12.6
71.05006	5.3
73.02936	2.2
77.03944	1.6
79.05499	62.5
81.03424	83.4
81.07064	58.3
83.04975	6.1
83.08624	19.4
85.02871	1.9
85.06556	4.1
86.09717	14.3
91.04900	1.6
91.05483	40.8
93.07052	57.6
95.04972	30.9
95.08617	37.7
97.02889	4.0
97.06530	5.3
97.10184	6.7
98.98475	1.5
99.08098	4.4
105.04537	1.5
105.07036	29.8
107.04971	6.9
107.08604	28.6
109.06535	5.4
109.10169	14.6
111.04449	2.3
111.08080	8.9
115.05479	2.3
117.07019	10.5
119.08590	20.9
121.06520	2.4
121.10154	33.0
123.08074	3.1
123.11702	6.9
125.00010	13.7
125.09641	4.7
129.07021	11.7
131.08575	27.0
133.06531	2.2
133.10146	17.2
135.08028	2.4
135.11710	25.9
137.09630	4.0
142.07758	2.6
143.08565	2.2
145.10123	14.0
147.08043	3.6
147.11717	16.4
149.09605	6.2
149.13269	8.3
157.09012	2.1
157.10106	10.9
159.11696	9.0
161.13266	3.2
163.11238	2.3
165.12820	3.9
169.10187	1.7
169.77303	1.5
171.11646	1.8
173.13266	11.6
175.11188	9.2
175.14944	2.8
177.12782	1.7
183.11861	1.8
184.07359	54.1
187.14819	4.1
189.11214	2.4
189.16487	1.9
193.12244	20.9
205.19530	3.5
215.17981	26.4
217.19408	1.8
227.12778	6.2
230.26495	2.0
233.19012	22.5
249.15015	3.0
267.15918	100.0
273.14859	1.7
273.22198	4.5
289.21652	2.3
307.22699	88.9
308.23004	2.6
309.17325	2.1
407.29300	5.6
425.30508	8.4
443.31516	3.2
481.32764	1.5
499.34238	50.7
500.34253	4.0
517.28333	2.6
517.35339	36.9
518.35486	2.6
541.35181	3.7
580.51691	1.8
607.36804	2.3
746.46326	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	745.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.1
53.18981	2.4
55.01872	3.6
55.05518	33.6
57.03442	18.6
57.07075	2.5
61.02921	17.7
65.03929	5.8
67.05509	85.5
69.03414	7.0
69.07080	20.7
69.30077	16.8
69.30493	4.4
71.04992	4.8
73.02911	6.3
79.05499	100.0
81.03405	8.7
81.07063	76.4
83.04980	5.3
83.08620	16.6
85.02917	14.5
85.06538	3.8
91.03957	4.3
91.04908	2.7
91.05484	81.2
93.07047	99.6
95.04974	15.2
95.08614	62.4
97.02881	11.3
97.06530	6.0
97.10202	3.3
98.21259	9.2
99.04435	2.7
99.08079	3.4
105.04532	3.3
105.07034	73.5
107.04934	3.1
107.08608	45.7
109.06511	4.4
109.10158	24.7
111.08106	4.3
115.05452	4.9
117.07036	27.8
119.07803	4.2
119.08591	65.9
120.08819	2.3
121.06448	2.6
121.10153	55.4
123.08028	5.0
123.11684	7.0
125.09634	5.3
125.84781	2.3
127.03925	3.3
128.06221	6.1
129.05511	2.6
129.06990	17.1
130.07744	3.0
130.46722	2.1
131.08585	38.2
133.10144	51.2
135.08063	5.3
135.11682	32.1
137.13261	2.6
141.07008	3.2
142.07742	3.9
143.08571	21.6
145.06464	2.7
145.10150	33.7
147.10629	4.0
147.11702	43.6
148.11990	2.6
149.09618	6.4
149.13303	14.1
151.11197	2.7
155.08522	7.4
157.10136	15.6
159.11700	27.6
161.09650	2.9
161.13277	24.2
163.11159	2.7
163.14822	4.9
167.08611	4.2
169.10144	6.2
171.08075	2.4
171.11719	20.0
173.13272	21.0
175.11168	3.2
175.14830	14.8
179.14258	2.8
181.10086	3.7
183.11717	7.3
185.09676	3.0
185.13266	13.5
187.11156	2.4
187.14838	7.4
189.12819	2.6
195.11717	3.6
197.09460	2.3
197.13257	8.6
199.14865	8.5
201.16312	4.4
203.17926	3.6
211.14882	5.3
213.16399	9.6
215.17961	12.3
217.19556	2.9
221.13290	2.5
223.14780	3.5
231.17426	7.3
231.21120	5.3
239.17976	3.6
241.19542	25.6
243.21082	3.0
257.19077	6.7
259.20599	42.4
261.22046	3.3
265.19705	2.3
275.19965	3.2
277.21783	3.5
287.20184	2.6
289.21732	2.7
297.22034	3.0
301.21564	3.9
305.21289	4.0
307.22733	73.8
313.87122	2.3
315.23032	4.7
333.24249	32.8
335.25787	10.0
340.29446	2.5
351.25333	2.7
375.25250	2.8
491.38489	5.9
515.61261	2.1
548.39917	3.1
565.42072	9.4
581.41199	2.4
583.43597	73.4
584.43713	3.5
595.43188	4.9
673.44037	5.7
691.45532	3.6
727.47229	6.1
745.48267	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	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05517	2.1
57.03445	1.3
57.07088	0.7
61.02932	7.2
67.05515	6.4
69.03432	3.9
69.07066	1.7
73.02923	4.4
77.47094	0.6
79.05521	3.9
81.03436	2.3
81.07065	6.3
83.01344	0.7
83.08637	0.8
85.02917	6.8
91.03974	3.3
91.05507	3.4
93.07059	4.7
95.04995	0.8
95.08614	4.1
97.02898	5.2
99.04475	1.4
101.02396	1.6
105.07053	2.5
107.08611	2.2
109.02898	0.7
109.10178	2.0
119.08607	1.4
121.10172	2.6
123.08073	0.8
127.03944	1.7
131.08635	1.1
133.10168	1.3
135.11723	2.2
140.18500	0.6
145.10143	2.0
163.11208	1.1
192.68936	0.6
195.95224	0.6
233.84541	0.7
243.08507	1.4
249.10928	0.8
267.48538	0.6
271.72473	0.5
433.95499	0.8
467.19086	3.6
519.29382	9.9
640.91425	0.6
745.41370	100.0
746.41833	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	745.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.9
55.01861	11.2
55.05520	36.9
57.03432	24.7
57.07093	10.6
61.02913	18.9
67.05170	6.2
67.05511	81.0
67.51530	4.4
69.03436	9.5
69.07082	34.8
71.05011	5.3
71.32895	10.0
73.02921	6.2
79.05138	4.3
79.05510	58.4
81.03416	11.3
81.07065	65.0
81.75184	5.1
82.21494	4.5
83.05011	5.4
83.08614	21.9
85.02892	13.8
85.06560	5.1
91.03951	8.7
91.05479	78.1
93.07050	78.5
95.04951	16.2
95.08611	64.8
97.02895	16.6
97.10143	7.2
98.21033	6.2
99.54140	6.6
105.07037	64.1
107.04984	6.3
107.08604	40.0
109.06515	10.0
109.10172	28.2
111.08096	6.5
115.05437	9.9
117.07025	26.4
119.08586	46.5
121.10130	41.0
123.11708	6.6
129.07018	30.0
131.08577	40.5
133.10138	59.7
135.11711	28.6
142.07744	7.0
143.08554	19.4
145.10123	37.2
147.08049	7.1
147.11693	39.4
151.07452	5.8
152.37067	6.0
155.08563	9.4
156.09415	6.1
157.10191	26.2
157.27423	4.6
159.11765	27.5
161.13252	14.2
163.11168	6.9
169.10188	14.7
171.11711	29.4
173.13225	14.4
175.11328	7.2
183.11711	10.0
185.13252	9.8
187.14778	8.0
197.13324	8.3
199.14890	7.3
203.17857	6.6
213.16444	32.1
215.17924	9.4
231.17461	40.1
245.19144	5.5
271.60608	4.9
283.15469	24.8
284.15735	11.0
305.21133	15.5
326.02728	5.7
335.25775	46.9
339.28915	21.7
340.29315	15.3
365.98984	5.6
375.21939	5.8
451.72690	5.0
547.39783	5.8
548.40332	20.0
565.42316	8.0
583.43683	100.0
729.44550	5.2
745.45294	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
53.16017	0.4
55.01882	0.6
55.05513	1.8
56.36662	0.4
57.03435	2.5
57.07075	0.6
57.14774	0.5
61.02929	7.6
61.21237	0.5
67.05511	6.3
69.03427	3.4
69.07076	2.0
71.01343	0.4
71.05000	0.8
71.60469	0.7
73.02924	4.7
77.29604	0.4
79.05506	5.3
81.03382	2.3
81.07064	5.9
83.08625	0.9
83.17401	0.5
85.02914	5.8
90.00407	0.4
91.03967	4.0
91.05485	3.8
93.07040	6.0
95.04986	0.8
95.08614	6.0
95.82936	0.5
97.02891	5.4
97.06528	0.5
97.10191	0.6
99.04485	0.7
99.08080	0.6
101.02399	1.7
103.03934	0.5
105.07045	2.3
107.08608	3.2
109.02876	1.1
109.10180	1.8
117.07050	1.2
119.08599	2.3
121.10142	3.2
127.03963	1.4
131.08589	1.5
133.10161	2.0
135.11696	3.2
143.08594	0.7
145.10139	2.3
147.11728	0.7
149.13283	0.6
154.50891	0.4
155.08569	0.5
157.10162	0.8
163.11241	2.0
171.11736	1.0
184.07324	1.1
185.04283	0.8
203.05302	0.7
227.12804	1.0
243.08560	2.0
248.94958	0.5
249.11012	10.1
256.93060	0.5
305.13727	1.1
335.26056	0.6
389.52310	0.4
411.45270	0.5
467.19009	4.3
519.29370	9.0
565.43048	0.7
583.35132	1.0
583.43610	8.9
584.43903	0.6
694.28113	0.5
745.41315	100.0
746.41699	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90852	1.3
67.05496	6.9
69.03429	2.7
70.64472	3.2
70.64843	2.9
79.05491	1.7
80.05042	1.8
91.05469	3.2
93.05790	2.4
94.06591	10.4
103.05494	2.3
104.05013	2.7
105.06982	1.6
106.06521	1.8
108.08134	13.3
112.30116	1.3
115.05427	1.7
117.05786	2.6
117.64809	1.4
118.06562	3.7
120.08111	8.0
122.06039	30.8
124.07596	1.6
129.07022	1.8
130.06509	8.2
131.07294	4.2
132.04388	1.6
132.08101	55.7
133.08862	1.9
134.06075	2.8
136.03928	1.8
136.07602	20.8
140.24022	1.5
144.08087	14.3
145.07617	4.9
145.08817	4.0
146.06009	11.3
146.09651	6.8
147.06813	1.8
148.07562	13.1
150.05513	3.9
153.07008	2.3
154.05008	4.3
154.06548	1.7
155.07303	3.5
156.08064	5.5
158.06036	22.8
158.09601	7.4
160.02611	1.9
160.03946	36.4
160.07597	10.9
162.05556	3.2
163.03940	1.8
164.07092	15.2
167.07362	2.1
168.08096	8.9
169.07625	2.0
170.06039	2.2
170.08342	7.2
170.09685	9.9
172.04001	1.9
172.07562	8.4
173.07112	3.1
173.10724	6.1
174.09195	6.8
176.07100	2.1
178.05074	9.7
178.08647	18.6
183.09117	3.2
184.07568	2.8
184.09889	2.4
185.07079	3.2
185.10742	10.6
186.05516	13.8
186.09233	2.8
190.08575	8.7
191.09396	6.4
192.10213	37.2
194.04489	1.9
195.09178	6.5
196.07594	7.1
197.07265	1.9
198.05719	2.0
198.06076	2.5
198.07674	12.1
198.09276	4.6
199.08650	4.7
200.07088	10.3
201.08098	2.0
201.10210	4.2
202.08807	2.6
204.06572	3.4
204.10191	19.2
206.08096	2.0
208.06256	2.1
211.08682	2.4
212.07268	3.3
212.09389	3.7
213.06607	2.7
213.10228	13.7
218.08151	31.2
219.08995	1.8
223.08641	5.7
224.07161	8.9
225.06624	4.4
225.10233	1.7
226.07361	21.7
227.08125	5.3
232.09717	12.2
234.11269	14.0
237.10219	3.0
239.08159	5.2
239.11859	2.4
240.08899	12.0
241.05995	4.7
241.09735	63.9
242.08177	7.4
242.10222	2.1
243.07736	4.7
244.06030	2.7
244.08455	1.8
246.07632	11.3
250.10754	33.9
251.08156	1.8
253.09674	2.1
253.13553	4.2
255.11229	1.8
257.09186	1.6
258.07596	2.1
258.10062	2.4
259.07193	2.5
259.10864	6.5
263.07959	6.6
264.08646	8.8
265.09705	2.7
267.07437	2.2
269.09213	54.8
271.07004	2.1
272.08066	1.8
279.11246	2.1
281.12897	4.9
285.12219	3.4
287.10287	24.6
295.14163	2.2
299.14026	3.3
301.11823	1.9
304.93256	1.7
305.11404	4.5
313.15479	70.1
314.15918	2.1
323.10364	3.1
323.13910	38.7
336.07394	1.7
339.13574	2.1
341.14902	6.6
347.12234	2.6
351.09857	3.7
355.09793	8.5
355.16522	70.9
356.17059	2.5
367.12817	4.8
368.13922	1.6
369.14871	2.2
373.10315	99.9
374.10666	5.1
380.13971	1.7
385.14093	6.5
391.11365	100.0
392.11591	5.2
398.14920	2.2
410.15283	1.7
411.47809	1.6
418.17398	1.6
430.17651	4.6
450.20206	2.0
486.16382	2.5
546.18195	2.7
574.18115	6.5
578.20831	4.3
579.21936	5.2
590.17737	3.1
591.18726	3.1
592.19110	14.7
622.20435	15.7
623.21008	4.4
625.26471	2.6
669.25824	3.6
713.24426	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	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39233	0.6
65.03951	0.6
69.43667	4.5
79.05475	2.4
80.05000	0.8
91.05480	2.1
93.07029	2.6
94.06550	2.2
95.04987	0.9
103.05463	2.5
105.05717	1.2
108.04448	0.8
108.08102	3.0
116.04982	3.0
118.06574	1.4
119.07341	0.9
120.04437	1.8
120.08106	21.7
122.06027	9.0
123.39064	0.6
124.07594	1.0
131.58426	0.7
134.05969	0.6
136.07585	9.8
138.05467	0.7
144.04454	4.7
144.08035	0.9
146.06012	3.1
148.07568	36.2
148.60686	0.7
149.08063	1.0
150.05467	1.8
153.07002	0.7
158.06000	1.2
160.03990	1.1
160.07516	1.5
160.11234	0.9
162.05495	2.7
164.07062	1.5
165.53343	0.7
166.08635	1.8
170.09651	4.4
172.03935	22.8
172.07545	1.5
172.11234	1.6
174.05490	1.0
174.09151	2.1
175.08708	1.5
183.06732	1.3
186.09193	1.3
187.08620	0.7
187.12270	4.1
190.04999	3.4
196.07564	0.7
197.08405	0.9
198.09167	23.7
200.09428	2.3
200.10971	1.0
201.10205	0.9
202.08574	3.1
204.06569	33.4
206.08211	0.8
209.10718	2.0
211.08545	1.0
211.12279	0.9
212.07179	0.8
212.10768	5.0
213.10176	1.0
215.11804	22.0
215.13887	1.1
221.10826	0.7
223.08661	1.1
223.12253	1.2
224.09222	3.8
225.10187	3.0
226.08691	6.2
227.08138	1.8
227.11876	1.4
229.09689	1.7
229.13501	1.1
236.09297	0.8
237.10257	7.6
238.10954	1.2
239.11829	3.1
240.10309	3.1
240.12318	0.7
241.09724	2.6
241.13356	1.3
242.10402	1.8
243.11295	100.0
244.11650	1.7
249.10258	1.0
251.08157	3.1
251.11746	1.6
252.08701	8.5
253.09772	0.8
255.11336	5.9
257.12830	5.6
264.08893	1.2
265.09717	11.2
267.11304	3.9
269.09164	3.5
277.09683	1.7
278.08047	1.7
279.07675	2.2
279.11337	4.2
283.10727	2.6
285.12329	85.4
286.12552	2.6
287.10196	1.3
287.14178	0.8
293.09149	4.9
295.10822	9.7
297.08740	1.4
297.12122	0.9
301.11816	4.7
303.13391	86.2
304.13705	2.5
307.10800	3.4
309.12561	1.1
311.10159	5.5
311.13684	1.4
315.09711	2.2
321.08658	6.5
325.11960	1.3
339.09781	41.8
339.13452	5.6
340.09888	1.8
341.15250	0.7
355.12646	0.8
357.10803	13.3
358.11163	0.7
358.15341	1.3
368.17572	1.0
369.15131	0.8
371.12369	30.0
372.12735	1.4
386.14923	0.8
400.16537	0.8
401.14719	0.7
411.11926	5.4
412.16431	2.6
413.13071	0.8
414.18103	0.9
416.15927	1.6
418.17480	1.9
424.16196	1.1
428.16028	0.9
430.17572	2.9
440.16324	0.8
443.14548	3.7
444.15298	1.1
445.16376	0.9
458.17014	1.1
462.16556	10.2
474.16574	2.9
476.17816	0.9
482.67966	0.7
484.18777	4.4
494.19257	3.8
500.18106	1.8
502.19507	2.7
518.19232	1.4
546.18799	10.2
547.18774	0.9
562.18042	2.1
581.23767	1.5
590.17737	9.3
591.18427	1.9
592.19336	1.5
597.34790	1.0
608.17950	1.0
609.23364	2.6
622.20160	3.3
625.26709	3.0
627.24231	1.1
641.25842	1.8
669.25433	9.4
670.25574	0.8
685.24829	2.9
695.22552	1.8
713.24481	10.8
714.24237	1.3
727.25537	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
58.79642	0.9
64.64598	0.9
67.05495	1.3
70.23749	3.1
71.75934	0.8
79.05490	1.8
81.07040	0.9
91.05482	1.0
93.07073	1.7
94.06573	2.7
94.43733	0.8
95.05024	1.2
103.05479	1.0
108.04503	1.3
108.08118	3.5
112.71227	0.9
116.04976	2.3
118.06538	1.3
120.04504	1.8
120.08110	7.5
120.21305	0.9
122.06039	13.3
131.21637	0.9
132.08130	1.4
134.06024	1.0
136.07587	12.6
138.05511	1.1
144.04454	6.9
144.08119	1.3
145.05232	0.9
146.06041	2.6
148.07585	18.6
150.05493	1.5
155.08617	1.2
158.06137	0.9
160.03943	3.0
162.05540	2.6
162.71773	0.8
164.07036	1.6
165.09114	1.0
166.08682	1.2
170.09625	4.2
172.03951	26.2
172.09871	1.1
172.11220	2.3
175.08592	1.2
183.06828	1.3
184.07588	1.1
186.05550	1.0
186.09113	1.1
187.12288	5.6
188.07085	0.9
190.05020	3.4
198.09171	23.1
198.91362	0.9
200.09485	3.0
204.06583	38.7
205.06934	1.0
212.10712	3.6
213.10222	2.2
215.08521	0.9
215.11827	20.4
218.08257	1.4
223.12297	1.8
225.10229	3.0
226.08777	6.3
226.10832	1.3
227.08174	1.6
227.11835	2.7
228.08952	1.3
229.13408	0.9
236.09528	1.6
237.10197	1.3
239.11798	1.4
240.10178	3.2
241.09763	5.1
241.13403	1.4
242.10489	3.1
243.11307	97.2
244.11646	2.7
249.10258	1.8
250.10930	2.1
251.11755	3.3
252.08685	3.9
253.09726	2.3
255.11380	6.3
256.12054	1.2
257.12939	4.8
263.11914	1.2
264.08881	1.4
265.09814	2.6
269.09222	3.0
277.09576	1.5
278.10565	1.2
279.11298	5.9
281.09134	1.4
284.11356	1.1
285.12354	88.2
286.12674	1.9
287.10315	1.0
293.09277	2.4
295.10925	1.3
301.11823	4.5
303.13409	100.0
304.13681	3.5
307.10730	5.8
313.15491	2.4
323.10385	1.9
323.13980	1.3
325.12198	2.1
339.09741	1.1
339.13382	8.0
351.09808	3.5
355.16577	1.5
370.15643	1.0
371.12512	1.1
373.10315	2.8
381.10406	1.2
391.11389	2.4
400.17456	1.0
411.11737	5.7
430.17493	1.0
443.14639	4.5
445.16147	2.0
456.15466	0.9
462.16388	2.0
473.18735	1.0
474.16324	4.2
486.16748	1.8
494.19516	1.9
590.17621	1.9
592.19910	1.1
597.92261	1.0
606.20624	1.3
609.23346	1.5
622.20667	6.4
625.26294	1.3
669.25714	5.5
685.25073	1.6
695.23505	1.0
713.24377	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01881	0.8
56.52749	0.8
65.03951	1.5
67.05503	1.4
69.03423	0.9
70.84091	1.2
70.84418	1.3
72.64536	0.9
77.92885	0.8
79.05495	2.1
80.05018	1.1
80.80758	1.0
87.00891	0.8
89.03939	1.4
91.05475	1.9
93.07062	2.2
94.06586	4.4
96.08087	1.0
97.06516	0.9
100.20227	0.9
103.05476	2.4
106.06546	3.2
108.08134	4.2
116.04960	4.1
118.06564	4.4
120.04471	2.9
120.08119	10.1
122.06050	14.3
122.09753	0.9
124.07582	2.0
129.07042	1.2
130.06529	1.6
132.04482	1.1
132.08136	1.1
134.06041	3.5
136.07597	14.5
137.05931	1.0
144.04446	7.4
146.06013	19.3
148.07579	18.4
150.05565	2.8
150.09213	1.2
155.07298	1.0
155.08640	1.1
156.08069	1.2
158.06067	1.0
160.03937	1.9
160.07574	1.3
162.05505	5.6
163.03870	1.3
164.07039	2.0
165.09134	3.0
166.08662	1.2
167.07257	0.9
170.09673	3.9
172.03947	38.1
172.07556	1.4
172.11258	2.0
174.05533	2.5
174.09152	1.6
175.08725	2.1
176.07129	2.7
182.09644	1.4
183.09167	1.1
184.11250	1.1
186.09216	1.5
187.12320	4.4
190.05022	9.9
192.06450	1.2
194.09766	1.2
195.09103	1.0
196.09943	1.0
197.10745	2.6
198.09183	25.3
199.12312	1.1
200.09384	2.7
200.10927	1.6
201.13960	1.2
204.06572	52.1
206.08147	1.1
207.09367	1.7
208.09940	1.5
209.10797	1.9
210.09329	1.7
211.08688	2.0
211.12190	1.3
212.11002	4.8
213.10339	2.4
215.11827	21.4
216.95837	1.0
221.10757	2.9
222.07831	0.9
223.12381	2.4
224.09291	1.7
225.10243	8.3
226.08652	5.7
226.10869	1.5
227.08212	1.5
227.11786	7.1
228.08868	1.0
229.09811	1.0
229.13448	1.6
231.11206	1.2
235.08702	1.7
235.12318	1.0
236.09488	2.5
237.10257	3.6
238.11017	1.9
239.11765	4.2
240.10162	2.1
241.09648	2.0
242.10553	2.1
243.11310	100.0
244.11646	1.6
249.10374	5.2
250.10938	2.1
251.11865	4.9
252.08792	2.9
253.09688	4.8
255.11256	7.1
257.12936	7.5
263.08206	1.9
263.11838	1.3
264.09009	1.8
265.09805	3.9
266.10550	0.9
267.11298	3.2
269.09576	1.1
269.12906	4.5
271.10703	4.3
277.09750	5.5
278.10538	0.9
279.11292	8.9
281.12750	2.6
283.10794	2.5
284.11627	1.6
285.12354	92.3
286.12643	2.7
287.13947	3.3
291.11139	1.2
293.12735	1.5
293.44333	0.9
295.10956	1.4
297.12366	2.9
301.11911	4.0
302.12769	1.5
303.13419	88.3
304.13806	3.1
305.09113	2.2
307.10748	7.5
309.12494	2.1
311.10422	1.3
311.13901	1.5
312.11261	0.8
313.11917	1.6
315.09830	1.5
323.10263	3.9
325.11792	2.0
326.13065	1.0
328.14511	2.2
329.11816	1.0
337.11838	1.1
339.13467	9.5
340.14160	1.0
342.16119	2.0
343.13724	1.3
351.09793	1.2
355.13120	1.9
356.13885	2.1
357.14633	1.0
358.15573	1.3
365.11496	2.0
367.13101	1.2
368.13696	1.1
370.15720	1.9
371.12460	1.1
382.11676	1.1
384.13394	1.2
386.14929	2.3
397.14392	1.2
398.14926	1.8
399.15826	2.6
400.16638	1.8
402.18842	1.0
409.10419	2.4
411.11969	7.7
412.16769	1.1
416.15866	2.6
418.17450	1.4
427.11279	1.3
428.16211	1.0
430.17538	1.8
433.16443	1.0
438.14035	1.4
441.12885	2.1
443.14520	3.7
444.15393	1.3
445.16565	1.2
446.16840	0.9
456.15475	1.8
458.17197	2.7
462.16556	1.5
470.17377	1.3
472.40140	0.9
474.16754	3.5
476.18076	2.3
488.18326	1.6
490.19833	1.6
494.19089	1.6
503.20709	1.0
519.23743	2.1
547.23090	1.8
563.22876	4.9
565.24506	1.4
573.21381	1.6
581.23962	2.4
591.22729	5.8
607.25067	2.8
609.23480	5.8
622.20148	3.2
623.25616	4.8
625.26514	2.1
633.23328	1.8
641.25812	2.4
649.22931	1.1
651.24481	7.9
655.27527	1.3
667.24127	5.7
669.25970	5.3
677.21863	3.6
683.27881	5.0
685.25049	2.3
695.23535	18.3
713.24506	6.2
727.25946	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	745.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91542	0.8
59.57336	1.1
70.97103	2.5
79.05502	1.5
79.42224	0.9
91.05460	1.4
91.77225	0.9
93.07047	1.2
94.06589	1.0
103.05479	1.2
106.06590	1.0
108.08124	1.7
116.04987	3.4
117.78109	1.0
118.06570	1.3
120.04501	1.2
120.08128	6.5
122.06033	10.7
124.07567	1.1
136.07578	8.2
144.04427	5.3
146.06010	2.1
148.07574	12.6
150.05515	0.9
154.62607	0.9
155.07323	1.6
160.03918	1.0
160.07587	1.2
162.05499	3.2
169.08920	0.9
170.09645	3.7
172.03954	25.9
172.07620	1.4
172.11290	1.0
174.05591	1.3
175.08665	1.1
182.09648	1.3
186.05469	1.3
186.09100	1.4
187.12364	3.5
190.05003	3.9
198.09161	25.4
200.09392	2.7
204.06573	36.2
212.10751	3.4
213.10254	1.1
215.11818	23.0
215.13892	1.3
225.07729	0.9
225.10243	2.6
226.08665	7.1
227.08221	1.8
227.11896	1.9
240.10165	2.8
241.09840	2.1
241.13278	2.0
242.10445	1.2
243.11310	100.0
244.11571	3.0
251.11716	1.6
252.08682	2.3
255.11420	6.2
256.11850	1.2
257.12857	5.6
267.11179	1.0
269.09201	2.3
275.22418	0.9
279.11285	5.0
285.12347	87.4
286.12698	3.0
290.10373	1.1
301.12018	4.7
303.13409	97.0
304.13773	3.3
307.10626	2.4
315.09732	2.0
325.11902	1.3
336.87683	1.0
339.13406	8.1
358.15585	1.3
374.15063	1.2
386.15417	1.1
406.17624	1.1
411.11926	6.5
418.17661	1.7
443.14774	2.4
444.15271	1.8
462.16446	2.3
474.16522	3.1
476.18634	1.1
494.19205	1.7
563.21869	1.0
609.23376	2.8
625.26056	1.6
641.25525	1.0
651.25946	1.2
669.25323	8.1
685.24792	1.5
713.24866	7.8
727.25751	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	745.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11875	0.5
54.23522	0.5
65.03947	0.6
70.29491	2.3
71.26624	0.6
77.87289	0.5
79.05468	1.3
85.02757	0.5
89.03912	0.5
91.05473	1.3
93.05763	0.6
93.07057	0.8
94.06552	2.4
96.82066	0.5
98.21453	0.6
103.05416	1.1
108.04478	0.7
108.08111	1.5
116.04956	2.8
120.04459	1.1
120.08103	6.1
122.06033	10.0
124.07570	0.5
134.05945	0.6
135.06775	0.5
136.06531	0.6
136.07579	8.7
144.04462	5.0
144.08122	0.5
146.06018	1.7
148.07581	12.2
150.05473	1.6
158.06056	0.8
160.03926	1.0
160.07562	0.8
161.07095	0.5
162.05510	2.6
164.07091	0.6
165.09149	0.6
166.08623	0.6
170.09648	3.9
172.03941	23.8
172.07532	0.8
172.09897	0.8
172.11232	0.9
173.08412	0.6
174.09230	0.8
175.08656	1.4
184.07462	0.9
184.11240	0.8
186.09114	1.0
187.08643	0.7
187.12302	5.4
187.99811	0.5
188.07037	0.7
188.10710	0.9
190.04984	2.9
198.09152	25.2
200.06961	0.5
200.09184	2.4
200.10971	1.0
201.01141	0.6
204.06570	33.3
204.56384	0.6
205.07025	0.5
208.09821	0.7
209.10641	0.7
212.10783	4.2
213.10252	1.3
214.10973	0.8
215.08440	1.1
215.11815	20.4
215.13905	1.0
223.08438	0.6
223.12329	0.7
225.10207	1.8
226.08655	7.4
227.08224	1.1
227.11780	1.3
228.08820	1.0
229.09631	0.8
229.13283	0.7
231.11363	0.8
237.10202	0.9
239.11870	1.0
240.10408	2.8
240.82257	0.5
241.09756	1.9
241.13364	1.4
242.10352	0.9
243.11301	100.0
244.11543	2.7
250.10947	0.7
251.08141	0.8
251.11841	1.7
252.08638	2.6
253.09865	0.7
255.11259	5.3
256.12222	0.7
257.12875	5.5
264.08789	1.0
265.09665	0.8
267.11325	0.9
269.09216	1.9
279.11237	3.2
280.12134	0.5
285.12338	83.7
286.12634	2.4
293.09045	1.0
295.10886	1.2
301.11926	3.8
303.13400	79.4
304.13687	3.0
307.10684	3.5
311.10416	0.6
315.09680	2.0
321.08795	1.1
325.11896	1.9
339.09726	1.8
339.13428	5.7
340.14191	0.7
357.10889	0.8
358.15536	1.0
370.15384	0.5
371.12457	1.7
386.14859	0.8
411.11752	4.2
415.14932	0.7
416.16177	0.7
418.17233	1.2
428.16132	0.8
430.17633	1.6
443.14499	3.0
443.19940	0.6
444.15216	1.0
445.15982	1.1
456.15701	0.9
462.16537	2.1
474.16470	2.5
494.19324	0.9
581.23425	1.0
590.17456	0.9
609.23370	1.4
625.26678	2.5
627.24084	1.1
641.25708	0.9
651.24054	0.8
669.25336	5.6
683.25775	0.6
685.24902	1.9
713.24603	6.8
714.24481	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36293	0.6
57.76417	0.6
65.03949	0.8
68.57552	0.7
68.65199	0.6
70.78767	0.9
70.79115	1.5
79.05486	1.0
81.32851	0.7
81.93049	0.7
91.05478	1.6
93.07017	0.8
94.06593	1.5
96.23277	0.6
103.05495	1.1
108.08105	1.9
116.04962	2.8
120.04474	1.2
120.08114	6.4
122.06028	8.9
124.07590	0.8
131.70497	0.7
134.06056	1.0
136.07582	10.6
138.05522	0.9
143.08441	0.7
144.04463	4.4
146.05992	2.1
148.07581	14.8
150.05560	0.9
155.07320	0.7
155.08510	1.1
160.07553	0.7
162.05496	2.1
164.07129	0.8
166.08609	0.9
170.09607	3.3
172.03944	21.1
172.09924	1.1
172.11272	1.3
174.05457	1.3
174.09213	0.9
182.09698	0.9
185.08389	0.9
186.05568	1.0
187.12320	5.1
190.04997	3.5
198.09171	21.3
200.09373	1.8
200.10898	1.4
204.06583	31.7
207.09065	0.7
212.10823	4.6
215.11803	20.5
216.10213	0.9
225.10216	1.6
226.08678	6.8
227.08167	0.7
227.11876	1.9
229.09706	1.5
229.13351	0.9
232.94281	0.7
237.10231	1.4
239.11729	0.9
240.10176	2.5
241.09778	1.9
241.13425	1.7
242.10703	1.6
243.11305	100.0
244.11618	3.0
251.08133	0.9
251.11826	1.8
252.08693	2.5
255.11324	4.2
257.12866	4.9
265.09808	1.3
269.09229	2.0
279.11273	3.2
283.11014	0.9
285.12344	86.8
286.12619	2.9
297.12494	0.9
301.11783	4.6
303.13403	91.1
304.13937	3.5
307.10745	3.3
311.13708	0.8
315.09732	1.5
325.12079	1.2
339.09769	1.2
339.13361	5.8
340.13879	0.6
341.15277	0.8
358.15582	0.9
386.14514	0.9
411.11975	5.3
414.14282	0.8
418.17520	1.6
428.16086	1.2
430.17862	1.3
443.14484	2.4
444.15192	1.0
445.16348	1.6
462.16519	3.6
474.16776	2.5
488.18103	0.8
494.19186	1.0
609.23181	2.1
624.92303	0.7
625.26849	3.3
641.25970	1.6
669.25604	7.3
670.23846	0.7
685.24658	2.0
713.24725	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49750	1.0
63.35983	1.2
66.89839	1.3
67.05498	1.7
69.44690	8.4
71.61024	1.1
77.04418	1.1
79.05485	3.4
80.05018	2.3
89.17587	1.1
91.05474	2.0
93.07054	3.6
94.06578	5.0
103.05475	4.4
107.07354	2.6
108.08131	9.7
109.87997	1.5
114.72772	1.0
120.08117	25.6
122.06039	35.1
132.08163	1.5
134.05962	1.2
136.07582	25.1
138.09129	1.7
148.07593	49.0
150.09219	1.5
166.08659	4.1
172.03931	1.7
176.32875	1.2
180.99379	1.1
187.08607	1.4
192.29137	1.1
197.10760	2.8
204.06589	2.7
208.09772	2.6
209.10753	5.4
211.08624	1.7
221.10814	4.2
221.74904	1.2
222.07925	1.7
223.08696	4.2
223.12161	2.4
224.09453	1.1
225.10217	8.3
233.10861	1.2
235.08665	6.9
236.09402	5.8
237.10255	12.3
238.10999	2.3
239.08147	1.8
239.11813	4.6
241.09531	1.6
249.10269	30.5
250.10960	7.2
251.08195	7.9
251.11800	14.5
252.08766	9.7
253.09753	8.5
261.10263	3.1
263.08286	3.0
263.11877	1.4
264.08951	6.5
265.09723	16.1
266.10492	2.3
267.11362	10.8
269.09238	1.8
277.09750	20.2
278.10565	9.7
279.07703	11.0
279.11298	22.0
280.08432	2.5
280.11664	2.1
282.09885	1.9
283.10721	3.2
285.12384	2.0
289.09760	1.4
291.07635	5.1
291.11078	1.8
292.08414	4.6
293.09256	6.8
295.10815	14.6
297.08865	1.6
298.09607	2.5
305.09207	13.5
306.10077	1.4
307.07309	1.7
307.10788	18.2
308.11505	5.5
309.08609	4.6
309.11948	2.0
310.09601	2.3
311.10254	12.1
311.13718	1.7
321.08716	6.9
323.10263	17.8
324.11014	3.1
325.11838	3.2
326.12555	1.8
328.14392	1.6
330.15927	1.5
333.08679	8.1
337.11514	1.8
339.09634	2.4
339.13565	2.0
340.10544	3.2
340.14423	1.4
342.12418	2.0
342.16110	2.0
343.12836	2.8
351.09778	44.8
352.10474	6.5
354.12250	1.8
355.12857	4.6
356.13794	1.9
358.15375	2.5
365.11459	3.4
368.13968	2.0
370.11502	2.0
370.15610	2.8
371.12418	20.2
383.12369	18.4
384.13040	2.6
384.17395	2.1
386.14603	1.7
400.16534	1.5
411.11908	1.7
412.16681	2.0
414.18213	1.4
415.14807	1.4
428.15820	2.3
430.17584	3.5
436.81616	1.5
438.14420	3.3
442.17450	2.3
456.15585	5.4
458.17007	5.2
476.18292	1.5
486.16711	18.7
490.19626	4.4
518.12097	2.0
518.19373	27.0
536.19940	3.1
546.18488	4.2
547.19293	4.0
562.18048	2.6
578.21490	13.4
590.17804	18.3
591.18463	40.3
592.18951	2.2
594.20715	4.9
604.18970	1.9
622.20361	100.0
623.20258	10.7
683.26996	5.7
695.23920	2.3
727.25763	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	745.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.2
55.01863	10.5
55.02700	5.2
55.05524	4.9
67.05484	5.8
69.03431	44.9
70.63748	4.8
70.74344	13.5
71.04961	8.4
74.36250	4.8
79.05506	7.9
81.03421	52.5
83.04985	5.7
85.02916	68.6
87.00826	44.9
87.24191	5.1
91.05479	11.8
93.07023	6.2
95.04990	7.5
97.02892	48.5
99.04462	10.5
103.03946	9.5
103.05474	8.1
105.01859	22.1
107.04923	5.6
108.08141	8.4
109.02876	57.4
111.04432	13.1
116.04991	6.8
120.08097	20.3
122.06000	17.2
123.04456	12.4
127.03926	100.0
128.55525	4.7
135.04431	6.5
136.07552	21.4
137.05966	12.2
144.04453	10.1
145.04935	11.1
146.06009	14.0
147.04427	10.1
148.07559	40.4
151.03912	8.8
162.05499	6.1
163.03880	8.9
164.07065	5.6
165.09090	10.4
169.04999	16.9
171.02904	9.2
172.03957	38.3
181.05013	8.3
189.03926	14.0
190.04970	23.0
193.04953	11.0
198.09090	11.7
204.06630	57.2
213.03986	17.3
213.10201	5.6
220.00780	5.6
225.10139	9.0
226.08577	5.8
227.11734	6.4
231.05013	21.7
243.11269	48.7
249.06084	7.8
251.11852	10.3
252.08601	7.4
264.08911	6.5
265.09680	7.3
269.12881	7.7
273.06030	60.3
279.11304	13.3
281.12823	6.6
285.12314	54.2
287.10101	8.8
297.12393	6.3
303.13467	58.4
307.10999	8.4
315.06989	7.9
323.10291	13.3
339.07315	7.0
339.13391	18.2
357.07953	10.9
358.15839	8.1
372.13437	10.8
381.10516	8.7
386.14847	15.9
411.11728	16.2
414.14270	7.3
415.15573	12.3
432.15576	12.0
443.08383	8.3
446.16772	7.8
458.16956	9.3
461.09241	15.7
462.16415	7.4
474.16589	22.0
609.23126	17.5
627.24249	14.9
651.24011	6.9
669.25403	13.5
695.23047	22.7
713.24432	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	744.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01863	2.8
55.05269	1.5
55.05516	25.9
57.03446	17.7
57.07083	4.4
59.04980	1.5
61.02924	4.7
61.44469	0.8
64.61712	0.7
65.03930	2.5
67.05511	60.8
69.03434	4.1
69.06722	1.8
69.07072	20.4
69.42390	1.6
69.42804	5.8
71.04990	4.8
73.02917	1.6
79.05495	31.0
79.05953	1.7
81.03427	53.0
81.07063	55.7
83.04990	15.1
83.08138	1.6
83.08624	26.4
85.02913	22.4
85.06539	2.5
88.44086	0.8
91.03931	1.6
91.05486	35.0
93.07053	23.1
93.59010	0.8
94.71684	0.8
95.04978	21.6
95.08612	40.5
97.02901	4.3
97.06544	5.1
97.10167	6.3
99.08078	2.7
105.04500	0.9
105.07043	23.0
107.04970	5.0
107.08605	13.8
109.06541	4.0
109.09464	1.0
109.10168	15.7
111.04445	1.3
111.08106	8.8
113.06006	2.4
115.05457	1.3
117.06985	1.6
119.08588	20.4
121.10154	14.1
123.08070	3.7
123.11713	5.7
125.09653	2.0
128.06210	0.9
129.07033	8.1
131.08580	10.6
133.06462	2.6
133.10133	13.9
135.11681	3.2
137.09633	1.8
137.13237	2.4
142.07787	2.1
145.10117	2.0
147.08022	2.8
147.10632	1.6
147.11699	16.6
149.09619	5.5
149.13196	1.0
151.11208	1.3
151.14859	1.0
157.10138	12.8
161.13255	2.1
165.12756	3.5
175.11203	10.9
175.14777	1.1
184.07350	0.9
185.13338	1.2
193.12256	40.2
211.13312	71.2
212.13715	1.0
241.97256	1.0
245.22563	2.3
263.23703	2.7
267.15967	16.3
285.16977	75.1
286.17358	2.8
337.27390	73.5
338.27762	2.7
455.34512	1.1
489.35699	1.4
529.38995	13.5
547.39990	100.0
548.40643	5.8
635.42828	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	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01875	1.5
55.05514	13.8
55.21903	1.7
57.03448	9.0
57.07071	2.6
61.02926	2.6
67.05506	30.1
68.05878	1.6
69.03432	2.9
69.07080	11.0
70.65268	4.0
70.65618	2.0
71.04972	2.3
79.05495	17.2
79.36778	1.7
81.03421	36.1
81.07060	37.9
81.63265	1.7
83.04990	8.0
83.08619	16.5
85.02906	13.1
85.06581	1.5
87.39118	1.6
91.05487	16.3
93.07057	14.5
95.04979	13.1
95.08614	21.8
97.02907	2.9
97.10151	3.9
105.07048	16.2
107.04962	3.1
107.08595	9.4
109.06516	3.0
109.10179	8.4
111.08070	5.1
117.07042	1.8
119.08569	10.9
121.10165	7.5
123.11710	4.1
125.09646	2.5
129.07021	6.5
131.08588	6.0
133.06560	1.9
133.10133	8.1
135.11707	2.3
147.11705	7.0
149.09666	2.1
151.11330	1.8
157.10158	4.9
165.12680	2.4
175.11209	8.0
193.12270	22.0
211.13283	37.0
227.12663	1.7
267.15936	9.4
284.15735	2.1
285.16974	37.7
337.27383	38.1
338.27789	2.5
405.70673	1.6
452.89349	2.1
529.38721	7.3
547.39960	100.0
548.40161	6.6
632.65503	1.8
693.51459	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	744.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53167	1.6
53.03942	6.0
55.01877	1.5
55.05521	15.5
57.03437	9.9
57.07067	2.5
61.02919	3.2
65.03938	3.8
67.05512	100.0
69.03423	3.6
69.07076	16.3
70.36510	1.7
71.05003	18.7
71.60596	2.6
79.05062	2.8
79.05503	43.3
81.03435	12.1
81.07063	49.3
83.04966	7.1
83.08633	12.0
84.86667	1.4
85.02914	5.9
85.06530	3.5
91.05495	28.7
93.07053	44.1
95.04976	8.9
95.08043	2.5
95.08616	34.2
97.02904	3.3
97.06532	4.3
97.10186	4.1
105.07048	13.4
107.08604	21.6
108.74161	1.4
109.06502	2.2
109.10168	62.7
111.08074	3.1
117.07059	4.0
119.08588	20.5
121.10155	19.5
123.11716	2.6
124.44613	1.6
129.07042	1.8
131.08583	7.5
131.47134	1.7
133.10158	10.3
135.11720	14.1
135.81834	1.4
137.09663	10.2
139.11116	1.4
143.08601	1.6
145.10144	7.4
147.11705	6.3
149.13266	4.4
155.10661	3.3
157.10185	2.1
159.11786	4.9
159.91185	1.4
161.13260	4.2
163.11169	3.1
173.11766	5.2
173.13213	3.0
175.11240	2.1
175.14732	2.4
180.53545	1.5
181.12267	1.9
184.07372	3.7
187.13301	2.2
193.12219	5.3
211.13281	6.7
221.15283	1.8
226.42157	1.6
243.15985	2.0
255.15962	3.2
261.22220	2.4
267.15973	4.0
285.16934	6.6
287.18515	17.0
291.81973	1.6
335.25861	31.3
336.26141	2.3
337.27295	12.7
397.30789	2.9
461.14648	1.7
471.34158	2.7
489.35812	93.7
490.36121	5.7
503.37436	2.0
513.84711	2.2
515.37610	10.0
515.43945	2.1
547.39990	92.9
548.40509	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	743.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
57.03432	1.8
57.64018	1.0
59.41729	1.0
61.02931	5.5
67.05508	7.2
67.11507	1.0
69.03449	4.0
69.07072	1.7
73.02921	4.4
79.05502	5.9
81.03434	2.5
81.07064	6.5
83.04981	1.1
85.02438	1.1
85.02888	4.8
91.03963	3.5
91.05467	5.0
93.07029	5.4
95.08629	4.4
97.02913	4.7
99.04470	1.7
101.02393	2.3
105.07064	3.5
107.08604	4.4
109.10161	1.5
115.03906	1.2
119.08604	2.3
121.10143	2.2
133.10155	1.4
135.11728	1.2
147.11658	1.0
161.13228	1.1
171.64606	1.1
187.04343	1.0
198.98001	0.9
230.38593	1.1
243.08382	1.7
247.13129	1.6
334.37106	1.0
347.30328	1.3
465.21060	3.9
519.29236	8.5
743.43414	100.0
744.44055	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	743.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01868	1.2
55.05507	3.5
55.32890	1.1
56.87034	1.0
57.07066	4.4
65.03922	1.3
67.05508	10.4
69.03428	3.9
69.07069	4.7
70.06612	1.5
71.60328	1.5
79.05502	4.2
81.03420	2.8
81.07066	15.4
82.98018	1.0
83.04993	1.5
83.08616	1.8
85.02922	4.9
85.06063	1.9
85.06549	25.6
86.09724	1.5
87.00849	1.8
91.05495	3.5
93.07072	8.7
95.04942	1.3
95.08617	11.0
97.02915	2.4
97.06504	1.9
97.10192	1.8
99.08080	2.8
105.01832	1.4
105.07043	3.6
107.08599	6.6
108.08097	1.3
108.61591	1.0
109.02898	1.6
109.10149	7.7
111.08112	1.6
119.08572	4.9
120.08099	3.1
121.10146	4.7
122.06039	2.0
123.08107	1.6
123.11712	4.0
125.09666	1.5
127.03938	3.6
133.10155	1.7
135.08113	1.4
135.11681	3.9
137.09593	6.6
145.10123	1.3
147.11731	2.7
148.07578	4.5
149.09637	4.5
149.13254	4.1
153.12776	1.9
159.02980	1.2
159.11745	2.2
161.09741	1.1
161.13240	1.2
163.03963	1.7
163.11282	1.6
163.14847	1.9
164.86845	1.1
165.09132	100.0
166.09477	2.0
172.03951	2.3
173.13176	1.3
175.07634	1.4
175.11310	1.9
177.09143	2.8
177.12874	1.7
178.27541	1.1
179.10750	2.4
184.07437	1.4
187.11171	1.6
189.09102	3.0
189.16475	1.6
190.09827	2.3
191.10696	3.9
192.40660	1.1
199.14711	1.2
203.10686	4.5
203.14288	1.1
204.06575	3.9
205.12270	17.0
215.18053	1.5
217.12271	1.9
217.37747	1.0
227.11740	1.4
231.13812	1.9
239.70432	1.0
243.13844	1.4
269.12836	2.1
271.10782	1.6
273.18701	1.1
274.50201	1.0
276.61646	1.2
279.11493	2.0
295.26404	1.8
339.13525	1.7
342.12366	1.7
367.26337	1.5
385.27444	11.5
398.15308	1.3
399.15579	2.9
416.16394	1.4
423.32440	3.8
425.13458	1.5
441.33691	13.5
458.17194	2.5
459.34497	3.3
504.17514	3.2
593.23883	1.1
711.26563	7.5
719.43781	1.2
743.38879	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	743.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71006	1.3
65.03915	1.8
67.05494	1.9
69.07056	4.4
70.12746	5.1
79.05481	5.0
81.07055	5.5
89.03909	2.3
91.05470	2.1
93.07034	5.8
94.06560	5.5
95.04948	1.2
95.08611	2.3
103.05471	3.0
105.07037	1.6
106.06573	1.6
108.08119	5.3
109.10133	1.7
113.40292	1.2
116.04955	3.4
118.06606	1.7
120.04473	5.1
120.08119	22.8
121.06506	2.0
121.10163	1.4
122.06043	15.6
124.07599	3.1
127.07558	1.9
130.45607	1.2
130.80528	1.1
133.10139	1.6
134.06023	2.5
136.07587	12.3
139.07542	2.3
144.04433	6.3
146.06009	8.9
148.07590	30.7
160.04019	2.1
162.05487	3.8
165.09082	6.0
166.08630	1.4
167.07170	1.2
172.03955	26.9
174.05528	3.0
174.07922	1.4
184.09926	1.4
184.42680	1.3
186.05521	1.2
190.05011	11.9
195.09187	1.5
196.09990	2.5
197.10747	4.1
199.12334	3.4
204.04684	2.8
204.06584	42.0
207.09128	2.6
209.10696	2.5
210.09239	2.9
210.11465	1.8
211.08701	4.8
211.12473	1.5
212.09410	2.7
213.10190	1.4
223.08759	1.4
223.12267	4.2
224.09320	2.4
225.10287	13.7
226.10870	1.8
227.11816	19.5
233.10672	2.1
235.08588	2.6
236.09444	6.8
237.10242	4.2
238.10960	2.1
239.11842	6.6
241.09804	2.7
249.10236	3.1
250.10934	2.2
251.08046	1.8
251.11838	7.7
253.09714	11.0
253.13361	1.6
254.10036	1.6
255.11278	5.5
263.08249	2.6
263.11533	1.4
264.09018	6.0
265.09708	3.2
266.10263	7.8
267.11295	3.0
269.12851	21.9
271.10806	16.0
277.09689	1.6
278.10464	2.5
279.08389	1.5
279.11346	20.5
281.09506	1.3
281.12827	4.5
283.10834	5.6
284.11542	4.1
285.12390	5.7
287.13907	13.2
295.10892	2.5
297.12399	8.1
300.11426	1.7
307.10760	14.0
309.12543	1.4
311.14111	4.6
313.12354	2.0
314.12866	3.7
315.13666	1.7
316.10989	2.2
316.14374	1.7
323.10281	8.4
325.11850	6.2
326.16473	2.8
327.13693	2.2
328.10794	4.0
328.14490	4.1
329.15155	1.5
330.16095	3.1
331.16626	2.1
338.12680	1.6
339.13492	20.4
340.14569	2.0
341.11642	3.8
342.12317	8.2
342.15924	2.0
343.13116	5.1
344.13974	2.4
352.14493	2.2
354.16168	2.4
355.13284	3.8
356.13992	7.2
357.14633	3.4
358.15408	2.7
368.17557	1.6
370.15631	6.7
371.16281	1.9
373.14026	7.0
382.11847	5.3
383.12686	2.5
384.13275	5.3
385.14328	2.1
386.14505	2.8
386.18610	3.7
390.18124	3.2
394.15524	2.9
397.14496	1.9
398.14999	23.3
399.15811	33.8
400.16422	2.5
404.15903	4.3
412.16650	2.8
414.18036	5.2
416.16028	22.6
417.16733	1.5
422.16995	3.3
425.13525	29.7
427.15009	4.1
428.15994	3.2
430.17801	3.1
440.16144	6.2
441.33557	1.7
443.14944	6.2
446.17075	9.8
457.16409	7.2
458.17114	32.3
459.17465	1.7
459.34720	9.3
490.19653	3.7
523.23315	1.7
565.24860	6.9
593.24036	15.8
611.25061	12.3
667.27057	4.6
669.25604	11.9
670.25958	1.7
679.24005	7.8
683.26849	2.1
693.25195	5.0
711.26630	100.0
712.26978	7.5
743.39465	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	743.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.05528	2.1
65.03926	2.7
67.05487	3.1
69.03432	1.6
69.07087	2.9
70.20319	1.6
70.20660	6.1
78.92474	1.5
79.05497	6.0
81.03410	2.0
81.07059	5.5
85.02888	2.1
89.03921	2.5
90.06961	1.5
91.05497	3.9
93.07051	5.5
94.06593	7.9
95.04984	1.7
95.08615	5.9
96.63541	1.8
97.06532	1.7
103.05445	1.9
107.08601	2.5
108.04440	2.0
108.08134	9.3
109.10180	2.0
109.47590	1.8
116.04974	6.2
120.04471	6.4
120.08113	26.9
121.06479	2.2
121.10210	1.7
122.06046	13.7
127.03929	2.6
133.10176	2.9
134.06010	3.2
136.07587	13.8
138.09122	1.9
139.07483	2.4
144.04459	10.7
145.10136	1.8
146.06038	6.0
148.07564	30.2
157.70117	1.6
160.03935	3.7
162.05504	5.4
164.07085	3.3
164.21051	1.8
165.09061	2.8
166.08626	3.4
169.80803	1.8
172.03926	45.8
172.07549	1.9
174.05533	3.4
176.07021	1.8
182.08405	1.9
186.05557	3.6
190.04994	18.4
195.09258	2.0
197.10770	9.2
199.08531	3.1
199.12369	1.9
203.68468	1.5
204.06572	34.7
209.10661	4.0
211.08704	5.9
212.09396	3.1
223.08672	2.6
223.12347	3.8
224.09396	1.9
225.10228	28.4
226.11028	2.7
227.11804	24.5
236.09456	4.0
237.10275	6.2
238.11064	3.6
239.08177	1.8
239.11787	4.9
241.13275	1.9
249.10194	5.4
250.11000	2.0
251.11824	7.5
253.09715	19.3
255.11269	10.7
261.10226	1.9
263.08151	4.4
263.11948	1.8
264.08920	5.9
265.09775	7.1
267.11343	6.2
269.12634	2.3
271.10800	5.9
277.09677	5.4
278.10596	2.6
279.11227	15.5
281.09351	2.0
281.12708	2.4
285.12357	41.3
293.09192	2.5
297.12332	6.8
298.13333	4.9
299.13919	5.2
300.14725	2.5
301.15479	29.9
302.12830	2.4
307.10703	6.9
309.12427	3.6
311.14136	7.7
312.15097	3.4
313.12927	2.5
314.13055	3.6
315.13681	5.2
316.10794	3.0
316.14505	2.8
325.11899	7.8
327.13452	12.2
328.10806	7.9
328.14539	5.9
329.11624	1.8
330.12421	2.9
330.16080	5.2
331.16745	3.9
333.11884	2.3
335.13959	2.4
337.11774	7.1
338.13095	1.8
339.13559	10.0
340.14429	3.8
341.11517	3.2
342.12411	12.6
342.16003	2.6
343.13074	8.3
344.13971	3.9
352.14578	2.9
353.15253	4.0
354.16104	1.8
355.13281	4.0
356.13916	11.9
357.14655	3.2
358.15533	5.4
359.12497	7.7
367.13403	3.6
368.13965	3.2
369.10773	2.8
369.14960	2.3
370.15781	8.5
379.12860	6.9
380.13919	4.1
382.11884	6.0
383.12445	3.9
384.13364	4.4
385.13959	4.6
386.15131	6.2
392.19415	3.0
392.65570	2.0
394.15540	3.0
398.15030	32.4
399.15805	27.6
400.16290	2.9
404.19821	4.0
411.11627	16.6
412.16498	2.1
415.15240	2.2
418.17566	5.5
428.20032	4.1
430.17648	29.2
436.18182	2.0
440.16116	3.0
442.17557	4.8
443.14291	4.9
444.19244	3.5
454.17560	5.9
459.34534	6.1
460.18884	14.3
472.18686	45.1
477.35895	1.8
504.21094	7.6
579.25763	7.3
607.25684	19.7
625.26642	30.8
639.28015	2.7
649.26312	5.0
667.27600	25.1
669.25775	10.7
693.24988	7.5
711.26593	100.0
712.26300	6.5
743.40222	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	743.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
67.05507	0.8
69.07069	0.3
79.05493	4.6
80.05012	1.6
81.07039	0.6
83.93002	0.3
84.37926	0.3
87.00817	0.5
91.05476	2.9
92.05007	0.4
93.07051	5.2
94.06561	0.5
95.04967	1.0
96.08139	0.5
103.05469	4.9
105.05771	1.1
108.08112	0.7
110.09683	0.9
117.05833	0.4
118.06519	2.4
119.07337	1.9
120.08111	28.1
121.08427	0.4
121.10136	0.4
122.06069	0.5
131.07285	0.5
136.07574	2.5
138.09134	1.0
144.08121	0.7
146.09682	1.2
148.07578	55.1
149.07942	0.8
150.09145	0.8
163.03864	0.3
164.07097	0.6
166.08687	1.0
172.07567	0.8
174.09151	1.4
186.09062	0.4
187.08667	0.7
195.09152	0.4
197.10794	0.5
202.08665	1.0
209.07076	0.5
211.08685	0.7
212.09271	0.4
213.10153	0.3
214.08784	0.3
223.08702	1.8
224.09186	2.5
225.06575	0.7
225.10312	1.1
227.11667	0.3
235.08591	0.5
237.06747	1.6
237.10342	0.5
248.09404	0.4
249.10335	0.8
251.08179	3.8
252.08688	13.8
253.06079	0.5
253.09694	1.1
255.07713	1.0
261.10339	0.4
263.08133	0.9
263.12039	0.4
265.06168	3.7
265.09570	0.7
267.07745	0.4
279.07553	1.8
281.09262	1.4
283.07086	1.5
287.11703	0.6
288.11465	0.6
291.11249	0.6
293.09210	0.6
295.11053	0.4
297.08762	1.8
299.11725	0.9
300.11710	1.5
301.12244	1.6
302.13205	0.6
306.09732	0.4
312.11377	0.6
313.13049	0.6
314.09756	0.9
314.13150	0.7
315.10931	0.7
315.14471	0.4
316.10843	1.6
316.14459	2.0
318.12259	0.4
319.10712	0.6
325.08307	1.3
325.12302	0.5
326.12921	0.7
327.11227	1.0
328.10849	1.8
329.11832	3.5
330.12485	1.7
331.13220	0.7
332.14041	0.7
339.10144	0.7
340.10950	0.5
340.14630	0.7
341.12848	1.3
342.08786	0.7
342.12436	2.0
342.16052	0.4
343.13525	1.2
344.10287	1.6
344.14032	5.5
345.14844	0.6
346.11829	0.8
346.15540	0.8
352.10599	0.5
353.11850	0.7
354.12357	1.4
355.10007	0.6
355.13715	0.5
356.10092	2.1
356.14105	1.0
357.11118	2.6
358.12003	2.1
358.15601	2.9
359.12653	1.3
360.13501	0.7
368.14081	1.9
370.11667	1.9
370.16052	0.7
371.12872	2.0
372.09644	0.5
372.13525	9.4
373.14322	1.5
374.15042	1.1
376.12881	0.5
378.14813	0.4
382.11868	1.1
383.12714	0.9
384.09842	1.4
384.14008	0.6
385.10516	2.2
386.11401	0.5
386.15091	7.1
387.12317	0.9
388.12646	1.8
388.16904	1.0
390.14877	0.5
396.13489	2.1
398.10873	0.6
398.15338	0.6
399.12238	1.0
400.12921	18.7
401.13455	1.5
404.11761	0.6
404.16226	1.1
405.13333	0.4
406.13892	1.0
413.13876	0.7
414.14481	22.2
415.14783	1.4
416.16156	10.1
418.13934	1.5
419.14392	0.5
424.13193	0.5
432.15564	4.1
434.13596	0.5
442.13995	10.0
443.14294	0.5
459.14334	1.9
460.15045	100.0
461.15332	5.0
474.16638	1.1
477.15305	1.0
478.16068	7.8
488.18304	0.5
492.17673	26.3
493.17981	1.3
519.20227	0.4
561.21619	0.5
563.22894	0.7
579.22455	1.0
597.23175	0.4
607.21881	2.7
608.21564	0.4
621.23621	0.4
623.25055	2.0
625.23083	0.9
639.24200	1.7
649.22461	0.6
665.22168	0.8
667.23877	2.2
675.20734	0.5
683.23267	1.7
693.21802	2.4
711.23065	2.6
712.23242	0.5
725.24457	0.7
743.36176	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	743.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27974	1.2
62.45172	1.2
67.05505	2.6
70.65339	3.2
70.65681	1.5
76.89716	1.3
79.05490	3.5
80.05009	2.6
81.03417	2.5
81.07067	3.1
82.91271	1.1
85.02903	1.9
89.12975	1.3
91.05488	3.6
93.05784	5.4
93.07036	2.6
94.06586	7.6
95.04929	1.8
95.08604	1.6
95.65545	1.2
106.06562	2.0
107.08640	1.4
108.08123	25.6
112.14198	1.3
118.06540	1.9
120.08138	7.9
121.72925	1.3
122.06064	7.9
124.07552	2.8
132.08064	2.6
134.06015	2.7
136.07593	31.2
144.08018	1.4
146.06010	3.3
148.07585	9.4
152.07050	2.1
156.08089	2.1
158.09644	2.7
162.05516	2.3
163.03845	3.4
164.07080	42.4
165.09093	2.2
168.08136	1.4
178.08685	2.5
180.06520	1.7
186.09135	4.6
189.23621	1.3
197.10800	2.3
202.08604	1.5
206.08208	2.6
209.10693	1.4
211.08641	3.4
219.09198	1.8
221.10741	2.1
223.08612	5.3
225.10277	6.2
235.08572	3.6
237.10231	7.2
238.10892	1.6
239.08249	1.2
239.11632	2.0
241.09877	1.7
247.08730	1.8
248.09468	1.9
249.10252	11.1
251.08096	5.6
251.11914	2.7
252.08815	2.7
253.09743	8.1
261.10251	2.9
263.08167	1.9
263.11786	2.8
264.08899	2.1
265.09735	14.1
266.10367	1.9
267.11298	6.1
269.09103	1.8
269.12793	2.6
271.06085	2.0
271.10870	2.0
273.10239	2.2
275.07986	1.5
277.09744	15.3
278.10428	3.9
279.07663	9.5
279.11310	4.7
281.09216	2.8
283.10541	1.3
286.13177	2.2
287.13989	1.9
289.09619	2.6
291.08429	1.2
291.11349	7.8
292.08191	1.5
292.99039	1.3
293.09244	9.9
295.10812	5.0
297.08643	3.6
297.12723	1.8
299.14056	1.4
303.07770	2.7
305.09329	6.9
307.10919	6.4
309.08792	3.0
309.12280	1.9
310.13583	1.7
311.10281	2.1
312.14880	2.3
317.09326	1.8
319.10779	5.3
319.22748	1.4
321.08643	6.9
321.12280	2.9
323.10336	1.4
325.12115	4.9
326.12875	5.1
326.16354	2.4
328.14426	1.7
333.08737	1.8
335.10324	1.4
337.12399	2.4
338.12808	4.7
339.09875	2.4
339.13696	6.9
340.10727	3.0
340.14459	11.5
341.15161	3.9
342.12369	2.2
342.16010	2.5
347.10272	2.4
350.12964	1.9
352.14441	4.1
353.11459	7.8
354.12503	8.0
354.16101	6.8
355.13016	3.1
356.13907	4.7
356.17737	2.8
364.14368	2.3
365.11533	2.1
366.12387	5.5
367.13226	11.1
368.10010	1.4
368.13956	23.3
369.14767	9.1
370.11325	2.1
370.15488	7.7
380.14032	2.8
381.10895	3.3
382.11591	3.7
382.15533	16.6
383.12296	3.1
383.16605	2.6
384.12903	2.4
384.17365	8.8
386.14841	2.9
392.13992	1.8
394.11584	2.9
394.16138	1.7
395.12827	4.5
396.13455	25.1
397.14267	5.9
398.15002	11.0
400.16937	1.5
408.13455	1.8
409.14575	1.9
410.15146	12.6
411.15741	4.1
412.16885	11.5
424.12610	3.5
425.13623	2.6
426.14465	4.8
428.16364	6.1
430.17313	2.0
438.14673	6.0
440.16150	12.1
442.17679	4.0
456.15549	5.6
458.17148	4.7
466.13910	3.8
471.17743	3.2
472.19080	3.0
484.15121	6.9
486.16779	1.5
498.16138	3.6
500.18060	3.8
501.18542	1.5
502.16168	2.2
503.30576	1.6
516.17657	8.5
526.16449	2.9
542.15448	4.6
544.17224	37.6
545.17877	12.0
546.17462	4.1
560.16901	8.6
568.03845	1.5
570.07373	1.9
570.15259	24.0
571.15417	3.2
588.16150	100.0
589.16876	96.1
590.17596	29.0
591.18335	1.6
606.16986	5.5
607.22125	1.9
620.18689	10.4
621.19354	1.6
649.23035	2.7
675.21008	6.0
693.21851	11.2
711.22260	5.8
743.32751	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	743.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
54.54928	1.3
65.03932	2.3
65.32433	1.5
67.05498	2.5
70.70350	1.5
79.05514	11.3
80.05018	3.8
81.07060	4.4
91.05480	6.7
93.05809	1.9
93.07059	11.5
94.06564	6.6
97.06511	1.5
98.20679	2.5
103.05489	9.7
105.05784	3.1
107.08611	1.8
108.08123	13.6
110.09712	2.7
118.06549	4.7
119.07308	3.3
119.08575	1.7
120.08116	50.1
121.10189	2.1
122.06036	7.0
136.07600	19.6
138.09160	4.1
142.42741	1.6
144.04527	1.8
146.05927	1.8
148.07587	99.3
163.03868	2.0
164.07111	3.1
164.60303	1.7
165.09142	1.8
165.89445	1.6
166.08612	6.8
172.03914	5.7
172.07599	2.8
204.06642	8.7
206.73505	1.7
208.09634	3.9
208.11940	1.7
211.08490	1.9
212.09320	1.7
223.08675	3.2
225.10172	10.4
227.11755	3.7
235.08615	4.5
236.09280	1.8
237.10277	6.3
239.11961	2.5
247.08746	7.5
249.10188	5.3
250.07425	3.6
251.08047	5.4
252.08789	13.0
253.09726	17.1
255.07477	1.9
263.08167	5.7
264.08893	8.2
265.09747	23.7
266.10413	4.2
267.11261	5.7
269.09244	8.8
269.12634	1.6
275.08087	5.4
277.09766	3.3
278.10526	2.0
279.08109	1.9
279.11285	9.2
280.08624	1.9
281.09189	3.8
282.09906	2.4
283.10654	4.6
284.11606	2.4
285.12531	2.0
287.10693	3.0
291.07700	4.5
293.09363	2.4
295.10782	3.3
297.08881	12.6
297.12018	2.6
300.11258	4.6
300.14771	1.6
301.12164	3.7
302.12820	3.0
307.10794	3.4
309.08698	5.6
311.10373	8.2
312.11346	2.6
312.14999	3.0
314.13034	4.4
315.10138	3.3
315.13742	3.8
316.10837	5.7
316.14410	2.9
317.11557	4.4
319.07202	4.7
323.10379	5.7
326.12808	3.3
326.16327	2.5
328.10776	13.9
328.14474	4.9
329.11719	7.1
330.12363	7.3
330.15964	3.8
331.13129	2.8
332.13977	3.0
338.13144	2.1
339.09879	2.4
339.13647	8.1
340.14505	4.1
341.11639	3.4
342.12430	16.8
342.16135	2.7
343.13315	8.2
344.10129	3.2
344.13904	7.1
346.15570	3.6
354.12228	2.1
354.16129	3.7
355.13321	4.0
356.10229	3.1
356.13876	11.7
357.10794	8.4
357.14792	4.6
358.11694	11.2
358.15652	9.9
359.12634	2.8
360.13235	1.8
366.12332	3.4
368.13953	4.4
369.10870	5.7
370.11731	4.8
370.15634	5.6
371.12369	10.1
371.16537	2.5
372.13394	5.8
372.17065	5.4
374.11185	7.9
376.12851	5.5
380.13882	2.2
382.11261	2.0
382.15445	5.1
383.12582	4.6
384.13498	20.2
385.14206	5.3
386.14981	14.9
387.15808	3.3
388.16641	2.7
389.13577	3.7
390.14084	2.0
396.13165	1.9
398.15079	10.2
399.15735	12.7
400.16382	7.2
402.14346	7.1
404.16061	6.5
416.11658	3.8
416.16113	6.0
417.16718	6.7
418.13870	2.5
419.14676	5.6
426.14371	4.7
427.14767	1.7
428.15707	2.7
431.14618	11.4
432.15619	6.2
444.15631	10.3
456.15686	1.9
458.17075	12.2
459.17554	2.8
460.14526	1.7
472.14896	4.5
476.18219	2.8
486.16367	4.6
490.16010	3.7
491.16992	1.9
492.17661	47.4
504.17703	100.0
505.18015	4.0
518.19086	3.2
519.37177	2.3
534.22803	8.5
548.16101	2.0
551.23041	4.3
552.23602	3.9
564.19812	5.3
579.22302	14.6
593.23755	1.8
594.24622	4.1
607.21759	4.9
608.19049	16.5
611.25049	9.7
612.25690	4.1
621.23126	5.4
626.23456	1.9
638.23694	8.4
639.24585	35.2
656.24512	5.0
657.25476	15.8
659.11139	1.8
681.24115	2.9
683.23853	3.2
699.26508	9.6
711.25006	3.8
725.23877	5.8
743.24988	12.5
743.37109	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	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
53.98024	0.7
54.98613	0.7
55.01882	4.0
55.05262	1.0
55.05517	17.6
57.03445	11.7
57.07082	3.3
59.04980	2.1
61.02931	3.7
65.03942	1.0
67.05511	30.1
69.03433	1.4
69.06718	0.8
69.07074	13.5
69.95990	2.4
71.01353	0.7
71.04983	2.3
71.08632	1.4
73.02903	1.1
79.05496	17.0
81.03419	7.0
81.07063	34.3
83.01349	6.3
83.04993	7.0
83.08625	15.6
85.02912	5.8
85.06543	2.1
85.10152	0.7
86.09708	1.4
91.03950	1.4
91.05493	10.7
93.07051	23.1
95.04978	5.2
95.08612	25.4
97.02885	2.8
97.06536	4.4
97.10183	5.2
99.04456	2.1
99.08092	0.9
105.07040	9.2
107.04971	4.4
107.08601	13.3
109.06535	5.4
109.10163	8.9
111.04443	1.9
111.08080	1.8
117.07035	5.8
119.08577	9.5
121.06489	2.6
121.10167	8.2
123.08091	5.9
123.11713	3.1
125.05971	0.8
125.09653	2.3
127.03905	0.7
129.06947	1.7
130.07777	1.0
131.08556	2.4
133.10144	4.9
135.08080	0.8
135.11710	9.6
137.09647	1.3
137.13280	1.7
143.08618	0.7
145.06482	1.4
145.10156	9.9
147.08037	1.7
147.11682	2.8
149.09648	0.9
149.13229	0.8
151.14743	1.0
153.12767	1.8
155.08513	0.8
159.11649	0.8
161.13274	1.9
162.19925	0.6
163.11201	16.2
163.14790	1.4
173.09610	2.3
175.14812	1.5
181.12213	2.1
184.07416	1.3
189.11229	0.8
191.10641	2.1
209.11707	4.9
213.59967	0.7
227.12813	5.5
239.17789	0.6
243.40025	0.6
245.22711	2.3
263.23700	5.9
276.82217	0.7
283.15421	100.0
284.15790	1.8
320.69965	0.6
337.27386	62.6
338.27588	1.4
435.32544	0.9
453.33655	1.3
471.34827	1.4
527.36963	1.8
545.38403	41.1
546.38306	1.8
563.39471	1.2
641.04022	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03035	1.0
52.73819	0.9
53.03934	2.9
55.01860	2.6
55.05516	14.8
57.03441	10.5
57.07061	2.7
60.47396	1.0
61.02913	2.9
64.46570	0.9
65.03928	3.0
67.05508	38.4
69.03423	2.6
69.07079	9.0
71.05012	3.9
73.02900	1.3
77.03899	0.9
79.05501	31.8
80.62379	1.1
81.03419	46.2
81.06580	1.8
81.07061	36.9
83.04987	12.6
83.08627	18.4
85.02913	15.6
86.09698	1.2
91.05484	23.0
93.06480	1.6
93.07053	30.2
95.04970	19.4
95.08604	24.7
97.02887	3.4
97.06525	3.7
97.10167	3.4
99.08089	1.9
105.07042	16.4
107.04936	3.1
107.08596	16.4
108.58292	1.0
109.06499	3.9
109.10159	8.9
111.08067	6.8
113.06017	1.4
117.07028	3.4
119.08587	16.7
121.06545	1.7
121.10140	15.5
123.08054	1.6
123.11691	3.2
125.09575	1.5
129.07001	7.6
131.08565	11.3
133.06490	1.8
133.10147	10.3
135.11728	5.7
137.09598	1.3
137.13284	1.4
142.07764	1.5
145.10117	3.4
147.07974	2.6
147.11713	10.8
149.09578	3.4
149.13286	2.2
157.10121	8.5
159.11679	1.7
161.13303	2.4
163.11188	1.1
165.12740	2.1
173.13287	2.4
175.11185	10.5
175.14879	1.3
184.07355	2.1
185.14659	1.0
186.50801	1.0
187.14920	1.3
193.12251	31.0
198.97144	1.0
202.10689	1.1
211.13295	48.4
227.12778	2.1
243.21065	1.9
261.22217	6.7
265.41113	1.0
267.15970	8.2
283.15311	1.5
284.15472	1.1
285.16977	37.6
307.47321	1.1
317.24899	1.6
329.58920	1.2
335.25793	43.1
336.26218	3.0
337.26425	1.3
453.33578	2.3
527.37274	6.4
545.38367	100.0
546.38416	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01865	2.8
55.05510	27.3
57.03439	22.0
57.07066	2.8
61.02919	5.5
65.03936	4.3
67.05506	67.2
69.03416	5.8
69.07076	13.9
69.09751	1.5
69.33517	5.8
69.33942	7.8
71.04979	6.0
73.02869	1.8
75.23808	1.5
79.05497	52.9
81.03418	65.6
81.07057	66.4
83.04975	14.6
83.08620	28.7
85.02907	30.4
85.06554	3.7
89.51221	1.6
91.03958	2.4
91.05484	44.2
93.06464	2.8
93.07046	46.8
95.04971	30.5
95.08611	41.0
97.02884	5.5
97.06512	3.9
97.10175	5.1
99.08083	2.8
105.04490	1.8
105.06381	2.5
105.07033	31.8
107.04953	7.6
107.08592	22.0
109.06512	5.9
109.10168	13.1
111.04434	2.4
111.08091	10.8
113.05979	2.2
115.05461	2.9
117.07005	6.1
119.08577	23.9
121.06483	1.7
121.10152	24.2
123.08044	3.5
123.11715	6.2
129.07010	13.4
131.08572	19.9
133.06494	4.6
133.10136	21.2
135.11702	7.4
137.09581	2.9
142.07768	2.3
143.08624	1.9
145.10132	8.7
147.08015	4.6
147.11690	19.9
149.09630	6.5
149.13261	6.8
157.10136	16.0
159.11687	3.6
161.13292	3.3
163.11205	1.9
163.14749	1.9
165.12747	4.3
173.13338	2.9
175.11200	16.4
175.14893	2.1
187.14812	1.8
193.12244	57.3
211.13300	96.1
223.28369	1.7
243.21104	3.5
261.22208	9.7
267.15942	21.3
285.16968	96.4
286.17325	3.4
317.24820	4.2
335.25784	87.3
336.26157	3.7
435.32648	1.7
527.37152	13.4
545.38367	100.0
546.38739	6.0
751.63025	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	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01875	6.9
55.05263	1.5
55.05521	26.5
56.12771	1.3
57.03446	14.2
57.07072	4.3
59.04999	3.2
59.95984	1.1
61.02935	7.4
61.25119	1.1
65.03947	1.9
67.05511	51.9
69.03429	3.4
69.07073	22.6
69.33238	11.5
71.04984	3.4
73.02924	1.9
79.05499	27.9
81.03427	11.4
81.07066	60.6
83.01364	9.1
83.04987	10.4
83.08628	18.8
85.02907	9.0
85.06577	2.1
91.03945	2.4
91.05486	21.2
93.07055	34.4
95.04985	7.2
95.08616	40.6
97.02898	5.3
97.06558	6.8
97.10197	8.2
99.04459	1.7
99.08080	1.3
104.10722	1.1
105.07049	12.8
107.04967	8.1
107.08605	21.4
109.06545	6.7
109.10180	14.7
109.81425	1.2
111.04465	1.4
111.08095	3.0
117.07034	6.9
119.08588	12.4
121.06506	2.6
121.10152	12.2
123.08057	8.5
123.11735	8.2
125.06030	1.4
125.09667	2.6
129.07024	1.5
131.08583	4.0
133.10139	7.8
135.08096	1.6
135.11699	13.9
137.09633	2.4
137.13173	1.6
145.10138	12.4
147.08038	1.4
147.11691	3.7
149.13257	3.0
151.11227	1.5
153.12794	2.7
157.10263	1.3
161.13246	3.8
163.11194	20.0
163.14821	1.8
173.09698	2.8
175.14915	2.5
177.16391	1.4
181.12257	3.1
184.07411	3.6
189.11270	1.5
191.10736	2.3
200.40640	1.3
209.11801	6.0
224.75462	1.3
227.12790	6.5
245.22664	1.8
259.79285	1.2
263.23819	5.5
274.18979	1.4
283.15439	100.0
284.15781	2.9
319.26413	1.4
335.25800	2.3
337.27399	99.1
338.27820	4.3
453.33441	2.1
527.37219	3.3
545.38416	86.6
546.38745	3.7
563.39581	2.1
577.36957	1.2
742.43457	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.01888	2.5
55.05297	2.4
55.05513	22.9
57.03439	14.3
57.07064	2.2
59.89668	1.7
61.02915	4.9
61.21115	1.6
65.03947	3.0
67.05511	65.1
69.03423	4.8
69.07079	16.4
69.35114	14.1
69.35531	3.2
69.83981	1.5
71.04990	5.1
73.02918	1.9
79.05496	45.1
81.02979	2.9
81.03426	46.8
81.07063	58.0
83.04980	14.6
83.08629	21.6
85.02494	2.0
85.02924	21.9
85.06551	2.8
85.57753	1.7
89.63301	1.8
90.63335	2.1
91.03944	1.8
91.05484	42.4
93.07048	46.4
95.04976	21.1
95.08613	38.7
97.02904	3.9
97.06535	5.2
97.10162	6.7
98.20741	3.6
99.08110	2.9
105.07039	27.6
107.04955	6.5
107.08604	23.8
109.06509	3.4
109.10172	15.1
111.08088	10.4
113.06036	2.0
117.07016	5.4
119.08600	21.2
121.10141	19.3
123.08092	2.9
123.11738	4.9
129.07011	8.5
131.08572	14.4
133.06468	2.4
133.10132	16.7
135.11723	10.2
137.09589	2.6
137.13245	2.1
142.07739	3.0
145.10146	7.7
147.08087	3.3
147.11702	14.9
149.09641	4.3
149.13240	5.4
157.10129	13.4
159.11679	4.5
159.44937	1.8
161.13185	2.5
163.14865	3.3
165.12700	3.5
171.11771	2.0
173.13289	5.8
175.11211	11.5
183.11705	2.2
185.13255	2.2
193.12257	32.9
211.13324	46.2
211.15254	3.5
243.21149	2.8
261.22168	7.8
267.16003	12.1
285.16986	50.5
334.49072	2.0
335.25824	98.9
336.26166	3.4
435.32361	2.9
507.68683	1.9
527.37396	13.2
545.38379	100.0
546.38629	5.6
581.41968	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
53.59252	0.6
55.01871	1.4
55.05261	1.1
55.05514	13.6
56.15932	0.6
57.03184	0.8
57.03438	9.0
61.02919	1.2
65.03931	1.1
66.68298	0.6
67.05508	33.2
69.03426	2.6
69.07069	9.6
71.05001	3.6
71.09354	0.8
71.09673	1.1
79.05497	30.4
80.05849	0.8
81.03423	34.2
81.07066	34.9
83.04990	7.9
83.08626	14.2
85.02906	13.3
85.06529	1.7
91.05482	21.6
93.07050	28.1
94.07372	0.8
95.04975	15.8
95.08607	22.6
96.08958	1.1
97.02889	2.3
97.06536	2.9
97.10153	2.3
99.04449	0.8
105.07035	15.8
107.04961	2.7
107.08597	13.8
108.08902	0.9
109.06527	2.0
109.10172	8.5
110.38835	0.7
111.04448	0.9
111.08079	6.6
113.06022	1.5
115.05432	1.0
117.07043	2.4
119.08585	13.1
121.06507	1.1
121.10145	14.0
123.08043	1.1
123.11723	3.3
125.09625	1.3
129.06992	5.4
131.08565	8.1
133.06540	1.0
133.10126	7.5
135.11703	5.7
137.09641	1.0
142.07788	0.9
145.10126	3.8
147.08093	1.3
147.11714	8.9
149.09612	3.4
149.13274	2.1
151.11195	1.0
157.10136	6.2
159.11674	2.0
161.13232	1.8
163.11108	1.3
163.14832	1.2
165.12811	2.1
173.13341	1.0
175.11194	8.9
177.16452	1.2
184.07275	0.9
187.14835	1.2
193.12250	21.7
211.13304	31.2
227.12830	1.7
243.21213	1.7
261.22211	6.0
267.15955	6.4
283.15643	1.3
284.15695	1.2
285.16980	35.1
286.17468	1.1
290.96622	0.7
303.63840	0.8
317.24753	1.3
335.25809	58.2
336.26135	4.2
337.26700	1.2
351.08456	0.7
383.50555	0.7
435.32874	1.0
447.38626	0.8
453.33383	1.2
527.37482	5.9
545.38385	100.0
546.38940	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01870	3.5
55.05518	18.7
57.03444	10.1
57.07069	2.7
61.02919	1.9
63.98783	1.2
65.03926	2.3
67.05511	45.1
67.05873	2.6
69.03427	2.2
69.07071	19.9
70.10358	4.2
71.05001	2.6
71.08617	1.4
73.02914	1.2
79.05063	1.8
79.05501	33.1
81.03413	3.1
81.07063	52.9
83.04977	4.5
83.08624	15.0
85.02885	2.4
86.09702	1.5
91.05486	13.6
93.07052	39.2
95.04989	7.7
95.08616	60.0
97.02886	3.1
97.06546	6.1
97.10177	4.6
99.04453	4.2
100.67020	1.0
101.02489	1.1
105.07042	12.1
107.04960	7.6
107.08601	30.4
109.06508	2.3
109.10158	13.3
111.08067	2.5
113.05992	1.4
113.09680	1.3
117.07029	6.6
119.07888	1.2
119.08609	12.5
121.06482	6.5
121.10143	18.9
123.08054	1.6
123.11700	3.8
125.05998	2.4
130.07826	1.5
131.08585	1.9
133.10115	7.7
135.08090	2.7
135.11703	52.4
137.13283	1.5
139.07544	1.6
143.08559	1.7
145.10138	26.7
147.11755	1.8
153.12799	1.5
163.11189	64.0
163.14803	1.7
181.12292	9.7
227.12798	71.5
263.23715	2.8
267.15906	1.5
283.15411	99.4
284.15732	1.8
307.66415	1.2
335.25653	1.6
337.27393	100.0
338.27640	2.7
545.38409	94.0
546.38861	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	740.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.05502	11.9
57.03428	4.3
67.05177	3.3
67.05507	54.0
69.07076	14.8
71.59596	3.2
79.05487	40.7
81.03410	3.8
81.07061	51.5
83.04976	6.0
83.08601	8.9
91.05484	34.7
93.07048	43.1
95.04975	13.1
95.08603	26.8
97.10179	4.9
105.04430	2.8
105.07037	29.6
107.08591	11.1
108.52702	2.7
109.06496	4.2
109.10158	11.7
109.10837	2.7
117.07027	5.0
119.08603	16.3
121.10128	6.6
123.08105	3.2
123.11716	5.3
129.07008	8.8
133.10132	10.9
143.08531	5.0
145.10071	4.2
147.11687	22.1
154.11525	3.0
155.43204	3.4
161.13251	8.7
161.86324	2.8
171.11655	16.3
184.07318	4.9
189.12776	5.1
192.85670	2.7
207.13777	20.2
281.17459	51.1
337.27383	48.8
498.06436	3.2
543.40527	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	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08629	0.5
53.00278	0.7
53.03949	2.7
54.90027	0.4
55.01839	2.2
55.05517	11.5
57.03441	6.9
57.07051	1.1
61.02894	1.2
65.03913	1.7
67.05511	36.9
69.03400	1.4
69.07073	10.5
69.61442	3.3
71.04998	2.2
71.24540	0.5
73.02890	1.4
79.05501	33.1
81.03379	1.8
81.07064	38.9
81.07511	1.3
83.04967	3.0
83.08630	8.2
85.02882	1.1
85.06496	1.4
87.08109	0.4
91.03922	0.6
91.05498	11.9
93.07051	43.2
94.43036	0.4
95.04980	6.1
95.08614	42.9
97.02914	2.8
97.06535	3.3
97.10124	1.6
98.21495	0.5
99.04482	2.8
99.04975	0.8
99.08091	0.6
100.90925	0.5
103.05447	0.9
105.06389	0.7
105.07039	9.7
107.04272	0.6
107.04967	6.4
107.08607	29.2
109.06522	2.2
109.09483	0.7
109.10161	11.1
111.04454	1.1
111.08102	1.1
113.06030	0.7
117.07027	8.4
119.07809	0.8
119.08587	10.7
121.06511	4.3
121.09338	1.0
121.10153	17.8
123.08031	0.7
123.11663	1.8
125.05915	1.6
129.07004	0.7
130.07770	1.5
131.08572	4.3
133.10136	5.8
134.10416	0.5
135.08035	1.3
135.11708	36.4
137.09567	0.8
137.13261	1.0
139.07510	0.9
143.08577	0.6
145.10141	21.0
147.11740	3.1
149.13271	2.4
153.12726	0.9
155.08516	0.7
159.11662	1.6
161.13248	2.3
163.11200	40.6
163.14804	1.1
164.11511	0.9
173.09656	0.6
173.13234	1.6
175.14714	0.7
177.16313	0.5
177.25182	0.5
178.72247	0.5
181.12238	6.4
184.07295	1.2
187.14777	1.5
209.11749	1.6
226.02386	0.5
227.12796	49.3
228.13242	1.0
243.21100	1.8
245.77451	0.6
261.22147	6.6
273.19666	0.6
283.15414	45.8
284.15741	1.7
317.24695	2.1
335.25821	100.0
336.26086	3.1
543.36847	74.8
544.37195	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	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01871	8.1
55.05262	1.8
55.05516	24.5
57.03180	1.6
57.03440	19.4
57.07069	2.1
58.82598	1.0
59.05001	2.1
61.02925	6.6
65.03942	2.3
67.05510	58.1
69.03436	2.0
69.06725	1.0
69.07078	12.5
69.35374	2.4
69.35781	5.2
71.01334	1.8
71.05008	4.3
73.02888	1.0
79.05499	53.2
81.03422	12.0
81.07063	55.8
82.07405	1.1
83.01340	8.3
83.04994	13.3
83.08624	15.4
83.47554	0.9
85.02916	8.9
85.06557	1.8
91.03941	1.9
91.05491	32.2
93.07053	57.5
94.17481	0.9
95.04976	9.8
95.08614	38.2
97.02911	5.5
97.06521	5.1
97.10184	4.7
99.04472	2.4
99.08117	1.2
105.04488	1.4
105.05563	1.0
105.06487	0.5
105.07036	21.0
107.04967	7.5
107.08611	27.2
109.06542	8.3
109.10168	16.3
111.04446	3.3
111.08091	3.3
115.03844	0.9
117.07032	12.5
119.08588	17.3
121.06511	3.6
121.09307	1.8
121.10153	26.9
123.04447	0.9
123.08074	9.0
123.11755	5.3
125.05991	1.7
125.09641	4.4
129.06985	3.1
130.07916	1.0
131.08577	10.1
133.10130	10.5
135.08061	2.5
135.11703	20.3
137.09612	2.7
137.13239	1.7
139.07521	1.2
143.08490	1.2
145.06509	0.9
145.10136	19.4
147.08057	2.3
147.11702	5.6
149.09622	1.2
149.13242	7.6
153.12752	4.1
155.08549	1.6
157.10127	1.4
159.11711	5.9
161.13232	4.4
163.11203	21.2
163.14847	3.5
169.10152	0.9
173.09641	2.9
173.13254	6.4
175.14825	1.9
177.16391	1.3
181.12271	3.3
185.13248	1.3
187.14900	2.2
189.11208	2.8
191.10689	3.9
193.12254	2.1
199.14687	1.3
201.16441	1.2
209.11722	8.2
211.13251	1.3
227.12779	9.7
243.21162	6.5
259.20850	1.3
261.22150	17.8
267.15878	1.2
277.21588	1.1
283.15427	87.5
284.15872	2.2
299.23727	3.5
317.24619	5.4
333.24091	2.0
335.25830	100.0
336.26160	3.9
412.63647	1.0
433.30966	1.8
451.31940	3.4
469.32690	1.3
487.34000	1.7
525.35242	2.1
528.52368	1.2
543.36847	63.6
544.37500	4.2
561.38177	1.1
742.77454	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	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01883	8.1
55.05518	24.3
55.83851	1.2
57.03444	16.0
57.07073	3.3
59.04999	2.6
61.02918	4.9
65.03939	2.0
67.05511	48.6
69.03436	2.8
69.07081	10.3
69.39735	7.7
69.40142	3.0
69.85765	1.1
71.04997	5.7
79.05060	2.3
79.05502	41.8
81.03426	11.0
81.07067	49.8
83.01350	7.9
83.04993	11.5
83.08631	11.5
85.02899	6.3
85.06545	2.9
91.03951	1.3
91.04959	2.0
91.05483	23.7
93.07052	46.6
95.04964	9.2
95.08614	30.0
97.02909	3.7
97.06545	4.4
97.10171	4.1
99.04476	2.8
99.08102	1.7
105.07050	15.5
107.04967	7.7
107.08601	28.8
109.06536	6.4
109.10159	12.5
111.08123	3.0
113.80762	1.3
117.07025	8.8
119.08584	14.2
121.06459	1.8
121.10155	18.1
123.08093	7.6
123.11708	4.6
125.05911	1.7
125.09612	2.9
129.07039	2.0
130.07811	1.5
131.08597	11.8
133.10135	9.2
135.08064	2.9
135.11703	18.2
136.12057	1.4
137.09543	1.5
137.13274	2.1
143.08549	1.7
145.10144	19.2
147.08090	1.1
147.11687	4.5
149.09610	1.4
149.13286	4.9
153.12752	2.6
155.08618	2.2
157.10138	1.2
159.11720	4.9
161.13260	2.5
163.11195	23.5
163.14809	3.3
169.10155	1.1
169.38957	1.2
173.09628	3.6
173.13290	4.4
175.14824	2.4
181.12178	3.1
184.07426	1.4
187.14780	2.1
189.11203	1.6
191.10699	2.4
193.12334	1.6
198.94389	1.4
201.16348	1.5
209.11682	7.6
212.66339	1.2
227.12848	8.9
230.36530	1.2
243.21136	4.2
244.17584	1.2
261.22165	15.0
283.15411	100.0
284.15762	1.9
299.23599	2.8
317.24750	3.9
335.25821	74.8
336.26096	2.1
371.94635	1.3
401.81381	1.4
433.31122	2.1
451.32193	2.9
469.33304	2.3
525.35803	4.3
543.36847	38.9
544.37115	2.8
561.38110	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	740.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01857	2.6
55.05518	14.9
57.03445	10.5
57.07067	1.6
58.92704	0.6
59.04984	0.9
61.02909	2.0
65.03925	1.9
67.05511	46.1
69.03419	2.1
69.07077	12.6
69.16183	0.7
69.57623	2.7
69.58036	2.4
71.04977	3.1
73.02916	1.4
77.03915	0.8
79.05500	41.3
81.03395	2.2
81.07064	47.0
82.37368	0.8
83.01328	1.1
83.04996	4.3
83.08152	0.7
83.08630	11.8
85.02898	1.7
91.05485	19.0
92.22224	0.7
93.07056	57.0
95.04976	9.6
95.08617	61.6
97.02872	3.2
97.06533	4.0
97.10147	2.6
99.04476	3.8
105.07039	14.4
107.04964	8.9
107.08602	33.5
109.06504	3.6
109.10162	11.4
111.04440	1.7
111.08051	2.1
113.05990	0.7
115.05444	0.9
117.07043	11.0
119.08587	15.8
121.06510	4.7
121.09329	1.2
121.10157	20.9
122.10521	1.0
123.08067	1.5
123.11723	3.5
125.05995	3.2
127.07545	1.1
129.06979	1.3
130.07747	1.5
131.08586	5.3
133.10153	7.1
135.08012	2.2
135.11705	49.4
136.12071	1.1
137.13284	0.8
139.07584	1.8
143.08545	1.7
145.06529	0.9
145.10139	34.8
147.11671	2.9
149.13245	3.2
159.11693	2.2
161.13245	2.7
163.11203	59.7
163.14819	2.0
164.11545	1.7
173.09561	0.8
173.13284	1.9
181.12244	8.5
184.07321	1.3
187.14783	1.0
191.10818	0.7
209.11809	1.9
227.12802	79.7
228.13190	1.6
240.23529	0.8
243.21155	2.9
261.22171	8.8
283.15424	97.4
284.15836	1.9
317.24738	3.3
335.25830	100.0
336.26105	2.4
543.36853	84.4
544.37366	4.8
570.30560	0.8
671.61029	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	740.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.3
53.98383	1.4
55.01873	3.2
55.05511	7.1
56.50376	1.4
57.03424	3.6
59.04986	1.5
61.02933	2.7
67.05508	10.9
69.03430	22.1
69.07074	6.3
69.27644	9.3
69.28069	6.7
71.04996	4.2
71.66138	1.6
73.02919	2.7
74.67672	1.6
79.05493	10.5
81.03427	19.1
81.07060	15.2
81.77765	1.6
83.01362	1.5
83.04993	1.9
83.08607	3.2
85.02912	43.9
87.00830	23.1
91.05486	12.9
93.07056	14.7
95.04984	5.8
95.08607	26.9
97.02906	12.1
97.06554	3.1
97.10192	2.0
99.04465	7.5
99.08115	2.7
105.01875	22.8
105.07039	19.6
107.08603	27.0
109.02887	12.1
109.06531	4.0
109.10167	17.0
111.08089	4.5
117.01895	1.7
117.07053	1.7
119.08587	21.8
121.06516	4.5
121.10148	12.4
123.08085	5.1
123.11677	2.5
125.09644	7.0
127.03930	30.5
129.07019	2.3
131.08560	11.9
131.16225	1.5
133.06494	2.3
133.10144	16.3
135.08064	26.7
135.11713	7.2
137.09637	5.1
142.07735	2.3
143.08582	7.1
143.63864	1.8
145.05006	7.0
145.10133	20.9
147.08070	6.7
147.11635	9.7
149.09650	7.3
149.13269	3.5
155.08588	4.2
157.10141	13.2
159.02922	4.0
159.08076	6.8
159.11711	10.1
161.09628	19.7
161.13223	8.0
163.11253	3.8
163.14879	5.2
165.09137	3.4
169.10159	4.4
171.11681	8.6
173.09644	7.8
173.13225	12.0
175.11229	4.9
175.14822	7.3
183.11748	6.3
185.09691	4.6
185.13289	7.3
187.11240	4.8
187.14804	13.4
189.12732	3.8
189.16388	4.3
191.14342	3.9
193.12294	4.3
197.13252	2.6
199.11304	3.3
199.14850	6.3
201.12781	7.3
201.16425	7.2
203.14333	55.7
203.18036	3.8
211.13220	2.6
211.14960	2.5
213.03972	2.7
213.12856	2.5
213.16458	7.7
215.14297	3.8
217.15840	16.4
219.13849	8.4
221.15350	2.3
225.16570	1.8
227.18042	3.7
229.16074	3.6
231.04980	7.8
231.17509	5.8
241.15936	2.1
243.17381	5.5
249.06082	3.4
251.18141	2.4
253.16014	2.3
253.19493	2.8
255.17477	1.6
267.21262	2.7
293.22546	1.8
297.22217	2.9
311.23901	1.7
333.22131	2.8
351.23123	3.2
389.41302	1.6
391.29855	3.0
393.31470	2.4
403.30060	8.8
421.31003	50.6
439.27310	4.3
439.32104	100.0
440.32251	5.5
457.33139	63.3
475.26907	1.9
483.84433	1.8
627.58746	1.9
669.36218	2.6
687.37000	2.5
705.38171	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	738.479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.9
54.96617	1.2
55.01868	2.6
55.05517	16.7
57.03436	5.1
57.07085	2.2
59.06128	1.8
64.70042	1.2
65.03942	2.8
65.11999	1.2
67.05173	2.9
67.05514	48.2
67.05872	3.3
69.03423	2.0
69.07080	11.3
69.79437	1.2
71.04984	2.1
73.82127	1.2
79.05502	57.8
81.03406	4.8
81.07067	44.3
83.04969	5.9
83.08628	5.7
85.06554	2.1
91.05490	44.8
93.07056	54.0
94.54871	1.3
95.04974	12.4
95.08613	31.8
97.06528	3.0
97.10165	1.9
98.20702	2.8
101.07160	1.4
105.04550	2.5
105.07043	26.5
107.04940	3.8
107.08611	18.5
109.06496	3.5
109.10163	9.0
115.05443	1.6
117.07024	7.5
119.08589	16.8
119.66255	1.2
121.06538	1.5
121.10143	13.7
123.08084	3.4
123.11728	2.3
127.07555	1.6
127.58356	1.3
129.07027	9.4
131.08577	5.7
133.10153	10.8
135.11632	6.7
138.02411	1.2
140.72374	1.5
143.08594	5.7
145.10133	9.8
147.11705	21.4
149.13219	2.5
159.11714	2.4
161.13246	4.9
161.64409	1.3
161.82358	1.3
163.14819	2.3
171.11713	14.0
173.13274	1.8
189.12762	6.3
207.13844	19.5
243.21103	1.9
246.95821	1.5
261.22281	3.1
281.17505	49.3
281.20648	2.3
317.24567	2.0
335.25812	53.7
335.29861	2.6
336.26184	2.7
541.38953	100.0
542.38898	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	738.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.3
55.01891	4.4
55.05510	7.9
57.03440	3.1
57.07083	4.9
57.70828	2.7
67.05506	10.1
68.99776	3.2
69.03432	10.3
69.04857	2.3
69.07070	13.5
71.05006	4.5
71.59182	2.6
73.02933	3.6
78.64080	2.2
79.05489	10.3
81.03429	16.6
81.07058	25.3
83.08617	9.6
85.02918	30.0
87.00838	11.4
90.92443	2.6
91.05492	8.6
93.07043	20.6
95.08614	50.1
95.09171	5.0
97.02880	18.1
97.06555	3.2
99.04466	7.3
105.01886	13.1
105.07059	19.7
107.08608	39.1
109.02896	14.3
109.10165	31.9
117.01854	2.6
119.08575	38.3
121.10149	30.5
123.11717	11.4
126.44343	2.5
127.03947	24.8
131.08591	10.5
133.10147	23.5
135.11681	18.2
135.88136	2.3
137.13274	6.5
137.15819	2.9
143.08545	5.2
145.04968	7.4
145.10106	17.1
147.11684	19.1
149.09560	3.9
149.13287	18.5
157.10188	6.3
159.02870	7.2
159.11682	19.5
161.13289	17.3
163.03926	6.1
163.11217	10.1
163.14818	10.0
171.11745	5.1
173.13292	8.9
175.14880	15.9
177.16420	20.5
185.13287	8.8
187.14836	31.2
189.16403	35.1
191.17961	49.0
199.14886	9.5
201.16400	28.6
203.14363	8.7
203.17970	43.3
205.15884	65.8
205.19495	7.7
207.17473	9.5
213.16441	12.9
215.17918	6.0
217.19611	4.1
219.17523	4.7
219.21106	3.3
223.17004	3.9
227.17885	2.6
231.05043	4.9
231.17499	3.2
239.18025	3.0
241.19429	5.6
245.15405	5.5
247.16975	6.3
249.14856	5.3
249.18571	10.4
259.17087	5.7
287.19986	3.1
299.20297	3.5
300.66782	2.9
309.37399	2.8
334.50519	2.8
349.29102	3.0
391.33307	12.8
409.34625	45.3
409.39536	4.5
427.35834	14.2
437.34186	100.0
438.34659	4.7
455.35294	35.4
480.06647	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	738.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35966	0.1
53.00298	0.1
53.03966	0.1
55.32677	0.1
63.02358	0.6
63.71296	0.1
65.03944	1.1
70.78307	0.2
79.05494	1.1
80.59643	0.1
81.03460	0.1
89.03917	6.8
91.05496	0.5
91.15493	0.1
93.03403	1.2
95.04972	0.4
107.04962	2.5
111.04447	4.5
112.04793	0.1
117.03384	7.0
119.04914	0.3
135.04422	19.1
136.04788	0.3
137.02423	0.2
137.05997	0.2
139.03903	7.6
145.02853	11.3
146.03270	0.2
163.03909	100.0
164.04260	1.6
175.56400	0.1
181.04974	4.1
182.05296	0.1
186.05568	0.3
199.68231	0.1
216.95126	0.1
231.06523	0.5
231.30898	0.1
265.05054	0.1
279.06464	0.1
283.05902	0.3
325.07019	0.5
328.08994	0.1
343.08136	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	737.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01862	1.6
55.05513	6.8
57.03432	2.3
57.07071	2.2
61.02928	1.9
64.88632	0.7
65.03949	1.3
67.05507	10.5
68.99818	1.0
69.03435	15.2
69.07078	7.9
69.41947	0.7
71.05003	1.8
73.02916	0.8
79.05489	8.7
81.03423	10.9
81.07066	22.7
83.04986	24.9
83.08629	4.9
84.68295	0.7
85.02913	30.6
85.03426	1.8
85.06530	1.0
87.00838	14.5
91.05492	11.9
93.07052	25.5
95.04980	6.4
95.08614	41.8
97.02900	8.4
97.06554	1.9
97.10181	3.0
99.04468	3.0
99.08130	1.4
105.01881	10.0
105.07037	30.3
107.08600	39.6
109.02893	11.6
109.06519	4.1
109.10165	27.1
111.08089	4.2
111.11683	1.0
117.07011	3.5
119.08588	44.4
121.06476	1.6
121.10152	23.7
123.08075	6.1
123.11721	10.7
125.09647	12.8
127.03933	21.1
128.81416	0.8
129.01822	1.1
129.06999	1.7
130.07776	0.9
131.08586	12.5
133.10139	31.1
134.82870	0.8
135.08060	3.0
135.11699	12.5
137.09627	1.7
137.13239	1.3
143.08569	5.4
145.04962	4.5
145.10133	26.9
145.11276	1.7
147.07976	0.9
147.11691	22.2
149.09627	1.4
149.13275	14.8
151.11194	2.0
153.09138	2.9
155.08607	0.8
157.10147	6.3
158.10876	1.2
159.02917	2.9
159.11708	26.7
159.13031	1.5
160.12169	0.8
161.09659	1.7
161.13269	22.4
162.32391	0.8
163.03984	1.1
163.11215	2.1
163.14824	12.9
165.12785	1.2
165.86012	0.7
169.10190	1.2
170.10832	1.6
171.11699	5.4
173.04417	1.0
173.13275	20.1
175.14835	20.8
177.12729	1.1
177.16399	17.2
179.10664	1.6
179.14296	0.8
183.11765	2.2
185.13271	5.2
187.14839	29.6
189.16394	35.2
191.14328	3.3
191.17972	9.1
193.12335	1.2
193.15910	3.4
197.13371	1.5
199.14835	11.4
201.16396	35.6
203.14316	4.0
203.17970	26.4
205.15912	15.7
205.19608	1.6
207.17535	1.5
211.14940	1.4
213.04041	1.7
213.16412	16.2
214.24396	0.8
215.14653	1.0
215.17975	16.2
217.15897	12.2
217.19444	1.4
218.16031	0.8
219.17432	6.9
221.15489	2.1
221.19144	1.1
223.14803	0.8
223.16876	1.2
225.16437	2.1
227.17987	3.0
229.12021	0.9
229.16000	1.1
229.19585	3.0
231.04979	6.4
231.17479	3.6
233.15384	1.0
233.19029	2.8
235.16933	7.0
239.17776	1.7
241.19571	3.2
243.21056	1.3
247.16971	7.6
249.06306	0.9
249.18520	7.0
251.17905	0.8
253.19621	2.5
255.21005	2.6
259.17035	3.1
259.20468	1.1
261.18567	5.4
262.51468	0.8
267.21213	3.0
269.22675	1.5
281.22736	1.3
283.24231	1.9
287.20093	1.0
325.28949	2.0
327.23093	1.9
341.24985	3.9
343.26328	1.7
349.28937	2.9
357.27957	4.6
371.29523	3.7
377.31842	1.0
389.32059	7.6
391.33844	1.3
395.29419	8.4
407.33118	30.7
408.33551	1.3
409.34839	5.1
423.32605	4.9
425.34238	12.1
426.34671	0.9
435.32639	18.6
436.32596	0.9
453.33685	100.0
454.33945	4.2
455.31799	1.9
471.35214	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	737.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.9
67.05498	9.6
67.29007	2.2
69.03426	9.4
69.07061	9.2
70.06553	2.2
70.63005	2.3
71.04993	2.4
71.32583	3.7
79.05487	7.5
81.03404	7.0
81.07063	28.8
83.04953	2.8
83.08610	6.1
85.02909	18.0
87.00840	11.5
88.54289	2.1
91.05463	9.2
93.07053	26.5
95.04954	4.0
95.08611	45.6
97.02899	7.0
97.05735	2.3
97.06493	4.8
97.10172	5.8
99.04414	3.1
105.01849	7.2
105.07045	35.6
107.08599	43.1
109.02885	7.3
109.06544	4.2
109.10171	27.7
111.08090	3.4
117.06998	5.0
119.08589	43.8
121.10148	27.0
123.11705	7.6
125.09630	5.2
127.03934	14.3
131.08592	15.7
133.10129	30.9
135.08052	3.0
135.11687	15.5
137.09633	3.5
137.13248	2.9
143.08527	4.9
145.10130	31.6
147.11703	24.7
149.09602	4.5
149.13264	14.1
157.10139	8.9
159.03000	2.3
159.11702	20.7
161.09659	3.0
161.13263	25.5
163.11130	5.2
163.14813	31.3
167.10732	2.5
171.11670	5.7
173.13271	32.2
175.14835	28.7
177.16400	29.3
185.13289	6.7
187.14841	44.8
189.16391	25.8
191.14336	31.6
191.17973	13.0
193.12292	3.1
197.13263	3.3
199.14857	7.6
201.16380	17.6
203.14388	15.1
203.17973	100.0
204.18326	3.7
205.15924	19.7
205.19579	3.3
213.04007	4.3
213.16435	13.2
215.17982	7.9
217.15921	5.0
217.19511	3.5
221.15422	19.4
223.17017	5.3
227.17877	4.6
229.19481	3.3
231.05078	4.0
231.17328	2.3
233.19041	3.3
249.18503	21.1
356.24408	2.7
377.32010	4.0
389.32028	7.6
395.33066	7.0
407.33237	28.7
409.34692	5.2
423.32449	5.0
425.34158	78.4
426.34573	3.5
435.32721	12.8
441.33405	5.0
443.35059	3.3
453.33734	30.2
471.34912	24.9
550.04327	2.4
683.37787	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	737.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01848	1.6
55.05509	6.5
57.07069	2.1
60.03815	1.4
67.05492	5.6
69.03427	4.4
69.07080	11.3
70.73213	1.2
75.10120	1.1
75.77879	1.2
79.05489	3.9
81.03405	3.3
81.07066	13.7
83.08617	5.2
85.02905	6.9
85.89501	1.4
87.00827	2.6
91.05482	8.6
93.07048	16.7
95.08611	30.0
97.06525	1.6
97.10126	1.5
98.21513	2.8
99.08086	1.7
105.01884	3.2
105.06373	2.0
105.07033	21.2
107.08600	35.2
107.13194	1.3
109.02881	3.2
109.06527	2.1
109.10166	19.5
117.07008	2.8
119.08587	39.0
121.10147	34.3
122.10529	1.3
123.08086	2.0
123.11716	6.3
125.09654	1.2
127.03941	5.2
129.07072	1.4
131.08569	13.9
133.10132	36.1
135.08081	3.9
135.11708	14.1
143.08559	2.7
145.10130	46.8
147.10640	1.9
147.11690	21.4
149.09637	2.0
149.13286	12.7
151.11148	2.9
157.10118	5.4
159.10431	2.5
159.11699	31.8
161.13245	17.4
163.03915	1.5
163.11206	14.5
163.14801	14.5
171.11746	5.1
173.13289	15.0
174.13873	1.3
175.14822	21.1
176.15158	1.4
177.12793	2.8
177.16394	28.2
179.14380	2.6
185.13292	6.0
187.06076	1.3
187.14832	75.9
188.15240	1.3
189.16397	44.7
189.18121	2.5
191.14268	3.8
191.17957	10.2
197.13252	1.6
199.14877	4.7
201.16397	100.0
202.16713	2.4
203.14209	1.5
203.17970	43.8
205.15894	90.1
205.19482	3.7
207.17406	10.8
213.03963	3.0
213.16385	12.4
215.14333	2.4
215.17981	8.2
217.15886	2.8
217.19481	1.3
219.17435	10.2
221.15459	3.2
223.16948	35.3
225.16318	1.3
227.17911	6.3
229.19579	1.5
231.04993	2.8
231.17422	2.3
233.19124	2.5
235.16968	3.5
239.17894	1.8
241.19472	2.1
247.16951	23.1
248.17337	1.8
389.32019	8.3
391.34116	1.8
407.33121	48.3
408.33185	2.6
409.34698	9.7
425.34116	17.4
427.35919	2.4
435.32596	14.9
453.33719	35.9
454.34024	2.4
471.34799	11.5
489.35681	4.3
657.39667	1.4
683.37927	2.1
701.38831	2.1
740.38000	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	737.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
53.19154	2.8
55.05501	5.8
67.05490	11.5
69.03443	13.7
69.07059	12.1
70.13606	11.3
71.04997	4.7
79.05483	8.2
81.03403	11.1
81.07069	23.6
83.04964	3.4
83.08616	8.4
85.02905	25.0
85.23141	3.4
87.00829	13.3
91.05482	13.1
91.89468	2.6
93.07066	22.4
95.04923	2.9
95.08604	36.5
97.02888	10.9
97.10142	2.8
99.04452	5.0
105.01878	13.4
105.07047	30.4
107.08606	45.2
108.99283	2.6
109.02871	11.8
109.06509	3.7
109.10191	24.5
114.69946	2.8
117.07014	5.6
119.07825	3.4
119.08600	51.9
121.10154	37.8
123.11712	8.2
123.41582	3.1
125.09680	3.7
127.03942	19.0
129.01817	2.6
129.06982	3.1
131.08562	21.9
133.10135	47.7
135.08035	6.6
135.11697	24.0
137.09679	3.6
141.81874	2.8
143.08521	5.0
145.04950	6.5
145.10127	46.0
147.11714	29.6
148.07568	2.8
149.09531	2.8
149.13242	14.0
151.11108	3.4
157.10101	8.3
159.11720	30.4
161.09636	3.1
161.13286	17.7
163.03951	5.1
163.11227	20.1
163.14836	15.5
165.09021	3.5
171.11620	5.3
173.13287	18.7
175.14842	28.8
177.12817	5.9
177.16443	26.0
183.11688	3.1
185.13257	8.2
187.14836	55.7
189.16396	45.3
191.14278	3.3
191.17920	12.5
191.64795	2.9
193.08429	2.9
199.14850	7.5
201.16402	90.8
202.16760	4.6
203.14307	7.5
203.17982	35.3
205.15894	100.0
207.17453	12.9
213.16405	7.1
215.14374	4.6
215.17966	11.8
217.15840	3.3
219.17494	15.3
223.16924	8.2
227.17946	4.2
231.04996	3.8
231.17436	4.4
235.16922	4.1
242.52414	3.1
247.16957	15.6
252.24657	2.9
389.31900	8.4
407.33133	61.9
408.33279	4.8
409.34784	15.7
425.34216	36.8
426.34235	4.9
427.36020	5.6
435.32693	15.1
443.35379	4.7
453.34045	33.6
464.63797	3.7
471.30673	9.8
471.35947	5.3
489.35309	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	737.41
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63269	2.3
53.03943	4.7
55.01894	2.4
55.05516	7.1
57.03431	4.3
57.07078	3.9
59.60273	3.0
61.02943	2.6
66.12960	2.3
67.05507	8.4
69.03427	12.6
69.07067	12.6
69.50623	2.3
71.04982	2.9
71.37456	4.4
76.86298	2.1
79.05485	7.2
81.03418	11.4
81.07069	23.8
83.05000	3.6
83.08620	9.6
83.33610	2.5
85.02912	35.6
87.00826	16.1
91.05477	13.1
93.07043	23.7
93.32560	2.6
95.04935	3.2
95.08613	41.1
97.02895	9.3
99.04488	2.8
105.01873	11.1
105.07030	28.4
107.08604	38.9
109.02903	7.0
109.06566	2.9
109.10167	21.4
111.08111	3.7
115.02666	2.6
117.07002	4.8
119.08585	54.8
121.06493	4.1
121.10154	38.8
123.11711	9.5
127.03932	16.5
131.08574	23.4
133.10135	46.9
135.08055	3.9
135.11690	22.7
137.13260	3.0
143.08557	5.5
144.09435	2.5
145.10124	43.5
147.08037	2.6
147.11703	32.4
149.13283	11.1
157.10176	7.3
159.11694	37.3
161.09550	3.5
161.13298	16.4
162.21057	2.8
163.03906	5.0
163.11200	19.0
163.14796	15.1
171.11758	6.5
173.13292	19.8
175.14857	30.5
177.12750	4.0
177.16397	32.1
185.13281	7.6
187.14832	58.1
187.16457	4.5
189.16397	44.8
190.16815	3.1
191.14392	4.9
191.17970	12.5
192.62607	2.7
199.14815	7.4
201.16380	100.0
202.16800	3.5
203.14307	6.5
203.17990	34.7
205.15891	95.4
205.19502	3.2
207.17418	12.7
213.03847	3.9
213.16489	7.7
215.14421	3.2
215.17969	7.0
217.16002	4.0
219.17404	18.3
223.16957	8.5
227.17871	5.2
231.05089	3.4
231.17662	2.6
245.19028	4.8
247.16986	14.7
389.32065	6.2
391.33392	3.1
407.27765	4.2
407.33099	67.7
408.33459	4.5
409.34802	11.9
425.34235	34.2
426.34677	5.9
427.35706	6.0
435.32568	16.4
443.35150	4.5
453.33975	29.3
454.33765	2.9
471.30826	11.5
471.35843	4.1
726.18756	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	736.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62597	0.4
64.03923	0.4
67.05501	0.7
69.34558	0.8
69.34965	3.7
74.09696	0.5
79.05489	0.6
80.14048	0.4
81.07060	0.7
93.07059	0.5
95.08637	0.5
97.19238	0.4
98.21527	0.8
100.69456	0.5
141.30322	0.4
185.04210	0.6
189.18275	0.4
203.05251	0.5
278.76077	0.4
304.26398	0.8
320.25729	1.2
331.53723	0.5
335.25870	0.6
397.87708	0.4
482.30829	2.0
595.47333	1.2
736.53308	100.0
737.53778	6.1
737.66016	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	737.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
67.05499	8.5
69.03431	9.4
71.04647	6.8
76.05638	3.1
79.05495	9.5
81.03418	9.0
81.07052	11.1
85.02914	12.9
87.00841	8.1
91.05489	6.9
93.07053	13.4
94.29839	3.2
95.04984	4.8
95.08611	21.1
97.02912	13.5
97.06536	5.4
100.00312	2.8
105.07040	14.2
107.08606	14.2
109.02912	10.1
109.06529	3.3
109.10140	9.3
112.59708	3.6
119.08581	20.0
119.17343	4.1
121.10150	5.9
127.03914	13.3
128.78494	3.2
131.08560	8.2
133.10126	13.1
135.08061	78.0
135.11766	4.7
143.08549	4.4
145.10088	21.3
147.08061	9.2
147.11671	3.6
149.09619	5.6
157.10184	7.5
159.08061	6.5
159.11708	11.9
161.09633	22.6
161.13300	6.8
161.23724	4.0
170.10869	3.6
171.11774	4.6
173.09654	4.8
173.13373	5.9
175.11166	5.9
175.14856	6.5
183.11749	5.8
185.13332	4.2
187.14850	7.7
189.12709	4.0
189.16402	4.2
199.11270	4.3
199.14883	10.2
201.12743	13.0
201.16426	4.2
203.14357	100.0
213.04008	3.8
215.14458	6.1
217.15912	12.7
229.80896	3.3
231.05031	3.7
245.15462	4.5
297.38281	3.5
301.99612	3.4
319.20438	3.9
354.71744	3.4
389.28772	7.9
407.29272	23.2
425.30664	38.8
435.28998	8.3
443.31714	6.0
453.29846	26.7
471.24789	5.0
471.31180	74.8
556.67084	4.0
618.75946	3.6
719.36401	4.1
737.36560	4.4
741.26276	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	735.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01872	5.0
55.05507	13.4
57.07052	5.0
57.19954	3.8
61.02927	7.1
67.05499	13.7
68.99803	4.8
69.03439	40.4
69.07079	18.5
69.68843	16.6
69.69250	6.5
71.04984	4.6
73.02907	5.2
79.05503	15.1
81.03427	23.9
81.07056	37.9
82.48631	3.5
83.08642	8.0
85.02905	69.8
87.00832	28.9
91.05493	21.1
93.07045	47.4
95.04976	4.7
95.08610	54.2
97.02912	18.2
97.06552	20.8
99.04462	11.9
105.01874	34.3
105.07037	56.5
107.08603	62.8
109.02873	27.0
109.06531	7.7
109.10177	32.6
111.08083	14.5
113.68742	3.9
117.07016	7.7
119.08583	76.9
121.06536	4.2
121.10138	41.3
123.11720	15.3
125.09661	11.3
127.03927	54.4
131.08560	31.0
133.10124	44.3
135.11684	18.0
137.09660	11.3
142.07762	5.2
143.08540	19.8
145.04968	10.2
145.10132	60.3
147.04459	6.1
147.11685	38.6
149.09622	4.9
149.13258	20.0
156.09375	8.8
157.10120	29.4
159.02901	5.2
159.11697	43.7
161.09624	6.0
161.13271	20.5
163.04039	8.3
163.11232	8.8
163.14804	31.4
169.10202	12.2
171.11653	24.1
173.04471	6.8
173.13274	39.5
175.11288	6.6
175.14835	43.2
177.12790	7.1
177.16383	15.0
182.36150	3.9
183.11816	9.2
185.13295	21.7
187.14845	50.0
189.12856	5.7
189.16364	32.9
191.14314	20.9
191.17947	9.5
193.15976	4.9
195.11678	4.3
197.13332	10.0
199.14799	33.9
201.12573	4.1
201.16405	46.3
203.14340	15.2
203.17958	39.2
205.15894	8.5
211.14835	7.9
213.08875	5.4
213.16357	24.2
215.14343	9.0
215.17950	12.4
217.15894	13.8
221.15387	25.9
223.14908	5.0
225.16571	8.5
227.17915	15.4
229.15996	4.3
229.19527	6.6
231.05049	10.9
235.16986	10.2
237.16425	4.8
239.18152	9.2
241.19554	22.2
245.15251	5.9
247.16905	19.1
253.19626	8.6
255.21312	4.3
263.58395	4.0
269.22818	6.4
269.31531	3.8
285.18408	5.8
339.23184	4.4
341.24884	4.6
353.24725	4.2
387.30396	7.8
388.78284	4.1
405.31546	57.1
407.33197	35.8
421.30869	7.1
423.32706	32.8
425.34149	10.9
433.31097	31.1
441.33694	10.3
451.32074	88.0
452.32651	4.5
469.33133	100.0
470.33188	6.2
487.33679	7.6
735.36761	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	733.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34048	1.9
51.48092	2.2
54.24226	2.1
64.07064	2.3
67.05509	3.0
70.76809	4.1
80.05020	2.0
81.07059	4.1
85.02963	3.5
92.58888	2.1
93.07034	5.9
95.04965	2.2
95.08609	3.9
105.07078	2.3
106.06536	2.3
109.02856	2.4
111.08046	2.4
119.08589	7.1
120.04481	5.5
120.08113	4.0
121.10123	3.4
122.06035	4.2
124.07565	6.3
131.08560	4.0
132.04495	2.9
132.47964	2.1
133.10184	3.9
134.06029	5.8
135.04466	3.0
136.07562	3.6
145.10094	4.4
146.06027	9.0
147.04536	2.3
147.11775	2.8
148.07573	4.6
152.07063	5.3
159.11720	3.2
163.03941	3.6
163.14752	2.1
167.07266	3.0
168.06549	6.4
172.03923	3.5
172.07553	3.9
173.13278	3.0
174.05608	4.1
185.10683	3.1
185.13283	4.1
186.09163	4.9
190.05025	5.5
195.09232	2.4
197.10814	10.1
197.13225	2.8
197.27354	2.3
199.08690	2.6
199.12334	7.0
201.12880	2.1
201.16667	2.1
202.67798	2.7
204.06544	7.2
209.10796	9.4
210.09291	5.2
210.11482	2.9
211.08719	3.5
211.12096	2.4
212.09438	3.3
213.10263	5.3
220.07726	2.9
222.07823	3.5
223.08682	2.9
225.10248	32.6
226.10834	3.2
227.11800	37.5
237.10202	18.4
238.10994	5.9
239.09538	2.8
239.11717	5.7
241.09784	7.7
241.13274	2.9
243.11414	2.7
248.07043	3.0
249.10130	2.8
250.07335	17.1
251.08101	2.5
251.11765	4.4
252.09003	2.7
253.09795	14.9
254.10574	2.6
264.09039	3.2
265.09732	41.7
265.12326	2.2
266.10529	3.9
267.11295	10.1
267.74731	2.4
269.12869	29.1
271.10757	28.6
279.11261	5.5
283.10849	9.8
285.12283	9.9
287.13916	61.8
293.09186	21.6
297.12335	38.4
301.11871	6.7
307.10620	4.0
308.09067	3.0
311.10318	9.9
313.11667	2.9
321.12009	3.0
325.11902	17.3
327.13437	6.3
328.14554	2.4
329.11566	3.1
339.13388	2.9
342.12421	3.6
343.13184	5.3
345.10910	6.3
353.11380	14.5
356.45959	2.5
365.11328	4.6
371.12521	9.4
397.10300	54.0
415.11444	9.9
421.16815	4.7
429.07275	3.6
429.13010	55.3
435.14053	3.3
448.15399	2.6
449.16187	4.8
460.18585	2.9
467.32269	2.6
477.19296	2.9
491.21396	2.6
537.21063	8.4
551.23120	2.7
561.21484	2.7
571.25537	4.7
579.22601	2.9
595.25354	5.2
597.23444	23.8
621.23383	8.0
639.24469	34.6
641.22461	4.8
665.21710	3.5
683.23480	100.0
684.22327	9.1
715.25800	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	732.5619
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
53.03937	1.6
55.01865	1.0
55.05519	9.1
56.05037	4.5
57.07073	5.1
58.06584	0.8
60.04528	71.5
67.05508	17.4
67.29021	0.7
67.70229	0.8
69.06728	0.9
69.07074	13.0
70.06588	2.4
71.05049	0.8
71.08637	3.9
71.58646	1.1
72.04537	3.8
74.06091	1.4
79.05494	8.9
80.05017	1.1
81.03436	4.3
81.07057	17.0
82.06586	3.7
83.08622	10.0
84.08151	1.4
85.02905	1.3
85.10189	0.9
86.06062	2.9
87.04474	0.8
90.05559	4.7
91.05478	10.7
93.07049	9.1
93.59569	0.7
94.06566	4.4
95.04997	1.9
95.07362	1.6
95.08613	14.8
95.14095	0.8
96.08144	2.4
97.06529	1.9
97.10166	6.0
98.06075	1.3
100.07605	1.1
105.07046	6.7
107.08620	4.6
108.08154	1.6
109.06562	1.3
109.10163	6.9
110.09650	0.9
111.08081	1.6
111.11714	1.7
112.07614	1.0
119.08600	5.7
120.69228	0.8
121.10152	5.5
122.09679	2.7
123.08045	2.3
123.11739	1.8
133.10164	4.7
135.11684	4.1
137.09683	1.9
141.12668	0.9
147.11740	1.9
148.22444	0.7
149.13292	0.9
161.13292	1.3
198.89934	0.9
219.20985	1.2
245.22758	2.6
250.25270	4.2
252.26895	1.0
254.24765	1.1
262.25299	29.3
262.28046	1.5
263.23654	5.3
268.26358	1.4
272.25787	6.0
280.26370	26.7
280.29288	1.5
298.27472	9.0
314.26859	3.5
316.28510	1.7
344.27960	2.2
435.36844	0.7
516.47925	2.8
534.48871	15.0
552.49902	100.0
553.49945	5.8
570.50848	26.2
571.51434	1.6
575.50854	0.9
578.24072	1.0
658.56122	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	732.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05517	9.3
56.05016	2.9
57.07081	5.1
58.06598	1.0
60.04531	72.3
65.03938	1.0
66.36748	0.8
67.05508	17.1
69.07078	12.7
70.06592	2.8
70.98903	2.0
71.08614	2.6
72.04511	3.7
74.06088	1.6
79.05502	9.7
80.04975	1.1
81.03406	3.7
81.05811	1.0
81.07062	18.6
82.06577	2.6
83.08616	10.5
83.81110	1.0
84.08128	1.1
86.06059	3.4
88.56210	1.0
90.05541	3.5
91.05491	10.3
93.07060	8.8
94.06550	4.7
95.05003	1.1
95.07359	1.2
95.08617	16.2
96.08117	2.5
97.06548	1.9
97.10170	3.6
98.06058	1.5
100.24415	1.0
105.07043	6.0
107.08591	4.0
108.08140	1.4
109.10168	6.4
110.09650	1.8
112.07596	1.2
117.01457	1.2
119.08601	6.1
121.10146	5.3
122.09706	1.4
123.08059	1.6
123.11722	2.3
133.10112	5.3
135.11703	2.3
147.11679	1.6
149.13197	1.1
161.13248	1.0
179.88171	1.0
219.21104	1.2
224.04214	0.9
245.22740	5.5
250.25287	1.7
262.25336	27.3
263.23569	4.7
268.26428	1.4
272.25842	7.1
280.26392	26.4
298.27414	9.9
314.26871	4.0
316.28485	1.9
516.47479	3.7
533.43976	1.1
534.48779	17.3
552.49915	100.0
553.50031	5.8
570.42395	1.3
570.50964	23.3
571.50885	1.4
596.88171	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	732.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49217	3.0
53.03931	5.3
55.05518	20.5
57.03436	23.5
60.85851	3.4
65.03932	4.6
67.05511	66.9
69.03452	4.6
69.07088	17.3
69.23935	3.8
71.04980	5.6
71.08652	4.7
79.05503	68.3
81.02973	6.0
81.03426	91.9
81.07057	53.5
83.04980	9.0
83.08627	24.3
86.09701	7.2
91.05487	43.0
93.07054	66.6
94.66027	3.5
95.04986	31.3
95.08624	39.6
97.02885	5.6
97.06512	6.6
97.10170	11.7
97.42879	3.7
98.20728	9.6
99.08086	5.5
105.04514	4.0
105.07072	29.3
107.04971	4.2
107.08587	28.1
109.06544	4.4
109.10167	22.2
111.08064	10.2
117.07005	9.3
119.08598	29.5
121.10162	29.0
123.11749	7.2
124.99984	5.3
125.09631	5.8
129.06987	11.4
131.08594	20.9
133.10126	15.2
135.11700	18.3
145.10158	10.4
147.11661	12.2
149.09615	10.6
149.13245	15.3
157.10146	15.7
159.11685	9.6
163.11282	5.8
171.11624	5.9
173.13298	7.6
175.11165	8.9
177.12683	3.7
184.07352	13.5
193.12294	21.3
215.17923	22.0
227.12779	6.3
233.19070	24.6
249.14842	6.9
267.15927	100.0
273.22064	6.7
307.22693	95.0
308.22726	3.6
315.19830	4.0
375.55722	4.3
407.29605	6.1
499.34180	62.3
500.34735	5.4
517.35382	38.5
518.25629	4.2
535.36041	4.6
541.34833	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	731.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.6
71.63274	2.8
74.72205	2.8
79.05495	3.7
85.88381	3.1
91.05486	6.2
93.07069	8.0
94.06566	7.6
96.08124	3.9
103.05457	5.4
105.05626	2.9
106.06544	6.0
108.08118	13.1
120.04377	5.2
120.08093	35.7
122.06031	30.4
122.09672	7.2
134.06081	5.5
136.07590	34.1
138.05563	4.0
141.29971	2.9
144.04478	6.8
146.06024	17.3
148.07584	100.0
150.09119	14.4
152.07101	19.5
162.05556	5.2
164.07060	11.9
166.08676	27.3
172.03938	31.6
174.09175	4.2
176.07021	4.2
190.04996	19.3
196.09943	5.5
197.10751	4.1
198.11571	4.6
204.06612	35.6
205.12280	3.1
209.10738	3.9
210.11432	3.9
211.08710	3.2
211.12360	14.8
212.09355	3.6
212.12985	4.6
223.12300	10.4
225.10194	15.0
225.13858	3.1
226.11021	13.7
227.11783	9.9
235.08609	4.9
235.12288	4.1
236.09357	3.7
237.10268	24.4
238.11002	15.2
239.11797	25.2
241.13428	3.6
248.09329	4.7
249.10164	13.9
250.10904	11.4
251.08247	5.6
251.11790	31.1
252.08722	12.2
252.12541	6.5
253.09712	5.7
253.13376	8.0
255.11259	8.0
256.12061	6.0
262.11072	5.3
263.11777	34.0
264.08810	3.9
264.12573	10.3
265.09763	9.3
265.13412	15.5
266.10455	10.1
267.11325	27.9
269.13068	5.4
271.14297	9.9
277.09662	5.6
277.13260	3.4
278.10458	10.6
279.11292	42.4
280.11911	11.8
281.12866	19.5
283.10782	7.9
284.11523	13.0
285.12393	57.1
287.13824	5.9
288.14493	3.3
291.11267	32.6
292.12125	7.1
293.09833	4.6
293.12784	23.7
296.11499	8.8
297.09146	4.6
297.12338	73.1
299.13840	4.9
307.10681	12.9
309.12393	27.6
310.13077	6.5
311.10510	6.6
311.13861	6.2
319.10739	19.6
321.12283	24.3
323.10184	14.3
324.10806	3.2
325.11758	21.5
327.13388	8.9
330.15891	4.1
337.11847	83.0
339.13409	17.9
351.13162	4.0
355.13138	4.8
357.14441	6.9
367.13080	4.8
369.14474	7.0
372.16757	5.2
384.17081	4.2
385.13724	8.0
386.18463	8.2
404.19629	9.1
411.11771	13.4
412.16519	6.8
413.13620	3.8
414.18106	4.7
418.21375	4.0
428.20154	5.7
430.17664	8.8
432.19342	6.7
442.17410	4.0
443.14304	5.0
445.16061	3.5
446.20828	6.4
448.18677	24.3
460.18515	21.4
472.18494	9.3
474.20068	12.2
488.21350	4.3
490.19873	3.6
491.20267	7.9
492.21286	8.8
516.21326	7.5
518.18903	10.0
532.20605	13.5
535.19434	29.3
536.20264	26.9
548.20428	5.7
562.17981	10.2
563.18793	7.0
564.19568	8.2
567.26312	5.8
576.11157	5.5
576.19818	96.5
577.20258	15.5
578.21155	13.7
595.25513	15.3
608.22577	20.7
609.22729	10.4
613.26465	21.8
637.26361	6.1
655.27393	7.0
681.25677	14.4
699.15405	4.4
699.26563	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82141	1.4
53.03941	2.1
67.05498	2.3
70.72431	4.4
79.05492	6.9
80.05041	2.3
91.05495	4.8
93.05791	1.7
93.07047	5.1
94.06577	6.8
95.04993	2.1
99.18880	1.4
103.05472	5.0
105.05783	1.9
108.04448	1.7
108.08121	16.8
110.09678	2.4
118.06514	1.7
119.07351	2.1
120.08116	42.0
122.06020	11.5
122.09621	2.2
124.17713	1.6
126.21973	1.4
136.07578	13.2
138.09090	2.2
148.07576	100.0
149.07895	1.7
150.09126	5.5
152.07050	2.6
160.03970	3.1
160.07739	1.5
163.03848	2.1
164.07076	2.1
166.08667	7.9
168.10191	4.3
172.03940	4.6
181.92546	1.4
190.04985	5.4
197.10736	2.8
204.06583	10.5
205.06866	2.0
208.09692	3.6
210.11554	1.6
211.08623	1.7
211.12288	5.3
212.09515	2.3
213.10211	6.3
221.10785	1.8
223.08679	10.5
223.12257	4.4
224.09294	4.1
225.10245	31.6
225.13771	2.5
226.10915	7.4
227.11818	8.5
235.08778	1.6
236.09450	4.1
237.06641	2.4
237.10213	27.3
237.13904	1.9
238.10902	14.6
238.14708	2.0
239.08208	3.3
239.11777	22.7
240.10176	1.8
240.12506	5.9
241.13278	3.5
249.10222	8.6
250.11000	6.3
251.08218	13.2
251.11830	26.2
252.08588	11.1
252.12563	4.8
253.09712	18.5
253.13448	10.3
254.10474	8.0
255.11160	3.9
263.08368	1.7
263.11838	7.0
264.08871	5.9
264.12534	5.4
265.09738	36.7
265.13333	21.4
266.10492	15.3
266.14084	4.9
267.11295	9.8
267.14767	2.5
269.12936	2.7
270.13330	2.3
271.10831	5.7
271.13705	1.9
272.11316	1.7
277.09790	2.4
277.13419	2.0
278.10394	3.0
279.11279	30.2
281.12817	17.0
282.09909	1.7
282.13678	2.1
283.10794	23.4
283.14420	5.9
284.11444	4.1
285.12341	43.5
286.13150	2.5
287.14026	4.4
291.11343	3.6
292.11954	1.7
293.09534	2.6
293.12833	13.7
294.13531	2.6
295.11215	2.5
295.14352	10.3
296.11511	3.6
297.12286	17.5
298.10336	1.6
298.13379	10.3
299.13919	15.4
301.15417	2.1
307.10742	8.8
309.12369	8.5
310.13058	2.8
311.10364	1.5
311.13858	22.4
313.15515	3.1
315.13605	2.8
316.14462	3.0
321.12341	9.7
323.10248	3.3
325.11823	16.3
325.15475	2.3
326.12585	6.0
327.09506	2.1
327.13409	42.1
328.14041	2.6
329.15125	2.0
330.15796	2.6
337.11819	5.7
338.12631	6.9
339.13385	25.5
340.13779	2.0
341.14822	1.8
342.12280	1.8
355.12823	1.8
356.13824	2.9
357.14502	6.0
358.15375	7.5
359.12238	2.1
359.16092	7.4
370.15179	2.4
371.15976	6.8
372.17059	5.7
390.18176	2.1
400.16211	4.7
404.20093	2.2
411.11911	8.8
412.11942	1.8
418.17245	3.7
428.19833	3.8
432.18900	3.7
442.17419	2.4
443.14539	1.8
445.15265	1.7
446.20990	3.2
448.18930	5.4
460.18680	8.6
474.20013	5.2
480.21506	2.1
488.21634	2.2
490.19855	1.6
492.21310	6.1
504.17422	3.0
505.21710	2.1
506.22910	3.1
518.19696	2.0
523.22913	2.9
532.20325	3.3
533.21027	4.6
534.22388	17.3
536.19995	3.3
537.20782	3.5
550.21478	3.2
560.20294	9.5
565.24091	8.1
566.25580	2.1
576.19574	7.8
577.20544	50.9
578.21332	84.8
579.21362	3.9
595.21216	10.1
608.22253	2.1
609.23169	96.7
610.23846	32.2
613.25970	5.2
637.26465	2.8
655.27881	8.9
672.59644	1.7
681.24329	4.3
699.26343	26.0
731.29218	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	731.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
54.37506	1.5
61.02902	1.2
67.05506	2.4
67.71494	1.4
69.40781	12.5
79.05494	9.0
80.05029	2.8
91.05483	10.4
93.07048	8.9
94.06583	6.8
95.04973	4.7
98.20792	3.3
103.05488	8.7
106.06544	2.2
108.04506	5.4
108.08110	10.3
118.06519	5.1
119.07304	1.6
120.04483	11.9
120.08115	51.8
121.36389	1.5
122.06017	12.3
122.09680	2.3
134.06021	1.8
136.07584	20.3
137.69402	1.4
138.09187	2.1
142.70189	1.3
146.06035	2.4
146.09671	2.3
147.04390	1.9
148.07585	100.0
150.09200	2.9
154.14018	1.4
160.07607	2.3
163.03951	2.7
164.07137	2.0
166.08687	5.9
172.03960	2.7
183.09293	1.5
199.08638	4.0
201.10213	2.1
204.06546	4.0
209.10767	1.7
210.11554	2.0
211.08696	4.8
211.12271	2.1
213.10269	4.1
214.01936	1.8
223.12248	4.2
224.09401	3.6
225.10194	10.2
226.10847	3.0
227.11774	7.0
229.13272	1.6
235.08699	3.7
235.12389	2.0
236.09564	5.2
237.10207	12.4
237.13765	1.8
238.10953	2.0
239.11774	10.5
241.09807	2.4
249.10307	11.2
249.13898	1.4
250.11040	5.7
251.11807	26.2
252.08748	8.6
252.12517	11.7
253.09782	4.1
253.13272	7.2
254.40735	1.6
255.11327	6.4
263.11774	9.4
264.12433	3.3
265.09882	3.4
265.13385	13.0
266.10422	2.3
266.14041	2.7
267.11301	7.4
269.12820	2.0
271.10605	1.7
279.11313	11.7
281.12839	4.6
282.10016	5.0
283.10828	4.8
285.12399	10.8
287.14087	2.3
291.11325	1.8
293.12860	4.0
295.10815	5.2
297.12408	36.4
298.12808	3.5
299.14053	7.7
300.15372	1.8
301.12964	2.1
307.10889	2.3
309.12396	13.8
310.13068	4.8
311.13995	12.6
312.14899	1.6
313.12012	3.9
315.14185	2.0
316.14597	2.8
325.12173	1.8
327.13663	5.2
328.14600	4.0
329.15723	2.6
330.12457	2.3
330.16068	5.3
337.11777	1.7
339.13507	3.5
342.16235	3.0
343.17242	2.6
344.13882	8.9
344.17700	3.6
351.13284	2.2
355.16876	2.0
356.13794	2.7
357.14709	3.4
358.15427	4.4
359.16306	4.2
360.17224	3.5
368.17523	3.5
369.14777	5.0
370.15460	1.9
371.16693	3.3
372.17233	8.6
373.17877	2.1
374.18713	2.6
386.18594	8.4
388.20175	2.6
399.16113	2.3
400.16269	2.9
402.18130	11.5
404.19913	2.7
411.11914	2.7
414.18195	15.5
420.19247	18.2
430.17368	3.5
432.19241	71.8
433.19278	3.5
442.17926	2.2
446.20999	3.6
448.18637	9.6
460.18546	8.8
480.21530	7.0
492.21210	9.8
504.21368	4.9
506.23038	2.0
539.26349	3.0
548.20453	8.4
549.20819	1.7
550.22125	2.0
567.26190	8.1
585.27045	3.4
595.25299	3.5
609.27032	4.0
613.26190	6.7
627.28186	32.6
645.28845	3.2
653.25745	7.7
655.27673	20.5
671.27136	52.9
672.27423	3.0
681.24799	3.9
687.29022	2.3
699.26581	89.5
700.26318	3.7
731.29059	19.8
731.40485	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	731.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	2.7
71.32893	3.5
79.05475	4.5
91.05495	5.0
91.84968	2.6
93.07049	5.6
94.06569	5.3
96.08083	2.8
103.05471	5.6
106.06588	4.5
108.08118	10.4
120.04488	4.8
120.08103	29.2
122.06029	33.0
124.07580	5.3
132.08125	2.7
135.99136	2.9
136.07593	20.6
138.05510	5.6
138.09151	3.7
144.04417	7.8
146.06038	7.4
148.07584	100.0
150.05450	2.9
150.09125	5.8
152.07045	9.8
160.07603	3.3
164.07117	4.7
166.08646	18.8
168.76695	3.0
172.03940	27.0
190.04939	15.0
197.10753	5.4
197.68468	2.4
200.07068	2.5
202.94621	2.8
204.06555	30.4
210.11488	2.6
211.12381	4.9
213.10013	2.9
220.09819	3.9
222.11252	3.0
224.09357	3.4
225.10289	3.6
226.11023	5.3
227.11826	7.3
229.09746	4.6
229.13400	8.6
237.10272	8.3
238.10947	6.9
239.11813	14.4
241.09888	4.0
246.07655	10.4
248.04897	3.0
248.09505	3.6
249.10265	11.6
250.11020	9.6
251.11916	17.2
252.08696	28.6
253.13475	5.9
255.11330	19.2
263.08047	5.6
263.11807	30.8
264.08640	7.6
264.12665	6.3
265.09708	6.1
265.13354	8.6
266.10562	5.9
267.11285	15.3
269.12878	5.1
271.14404	4.0
273.12549	4.1
275.06693	2.9
277.09836	5.7
277.13440	3.3
278.10541	8.3
279.11322	28.5
281.09311	4.5
281.12875	10.3
283.10809	4.2
285.12344	33.3
289.15530	5.0
291.11267	25.8
292.12079	6.2
293.09488	3.0
293.12723	12.6
295.10806	4.8
297.12299	27.5
299.13824	5.0
307.10779	5.9
309.12332	17.3
311.13812	5.0
315.13647	3.6
319.10690	15.8
321.12527	5.0
325.11777	9.4
327.13638	3.5
337.11823	58.0
339.13391	6.8
358.15735	3.2
359.12225	15.4
372.17117	3.9
400.16422	5.1
404.19742	4.9
411.11905	7.2
430.17593	9.3
432.19275	9.1
442.17697	3.8
448.18680	40.9
460.18878	18.0
472.18652	4.6
480.20480	3.6
492.21304	3.2
532.20782	4.9
536.20258	19.0
567.26025	4.7
576.19800	27.4
577.23260	2.9
590.57745	3.4
595.25342	26.8
608.21808	3.2
613.26282	7.1
639.24408	6.2
655.27515	9.6
671.27051	7.1
681.25085	8.6
699.26624	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.8
57.06822	3.4
57.07081	41.5
58.87817	1.9
60.04511	3.7
67.05503	7.0
69.07063	5.6
71.08637	30.7
71.60039	2.0
73.06557	6.6
79.05497	3.5
81.07047	7.0
81.45397	2.0
83.08636	7.6
83.71317	2.1
85.10207	15.0
87.04482	12.1
89.06042	100.0
91.05477	5.9
93.07065	5.7
95.08614	4.4
97.10181	5.9
99.11752	3.6
105.07024	2.7
107.07075	2.4
109.10138	4.9
111.11715	5.4
113.13282	2.7
117.09170	7.6
130.08670	4.6
131.07024	2.8
131.08557	2.2
133.08606	56.1
177.11217	24.3
184.07277	2.6
221.13808	4.2
250.38770	2.1
299.29385	4.8
343.32245	4.7
550.48358	4.7
568.49066	2.9
601.51947	2.8
713.53772	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	731.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.9
70.20123	6.0
70.20464	4.0
78.03905	2.6
79.05499	10.5
80.05015	4.7
81.07050	4.5
91.05478	9.8
92.87731	2.6
93.07060	11.3
93.46028	2.4
94.06563	5.5
103.05440	6.6
105.05756	3.0
105.06998	2.5
108.04475	5.6
108.08118	9.2
118.06562	2.9
120.04460	4.4
120.08119	52.1
122.06033	12.7
136.07573	11.3
138.09190	2.9
146.06026	3.2
146.09637	2.9
148.07582	100.0
163.03922	7.0
166.08707	4.3
172.03966	3.5
199.08640	4.3
204.06549	7.3
209.10832	2.2
211.08672	2.3
213.10188	4.5
223.12291	3.7
224.09258	4.9
225.10213	9.8
226.10901	3.9
227.11786	7.2
235.08736	2.2
236.09467	4.3
237.10162	12.2
238.10976	6.7
239.11774	9.3
241.13033	2.3
249.10069	11.5
249.14281	2.3
250.10953	5.9
251.11818	26.7
252.08716	6.2
252.12521	8.0
253.09724	3.2
253.13368	6.4
255.11295	5.3
263.11847	7.7
264.12573	3.8
265.09830	3.6
265.13318	12.4
267.11337	6.6
269.12808	2.7
279.11218	13.0
280.11923	2.7
281.12839	4.4
282.10065	4.4
284.11459	2.8
285.12265	9.2
288.11423	2.7
293.12854	4.2
295.10782	6.2
297.12369	30.6
299.13919	8.4
309.12494	11.4
310.13058	4.2
311.14059	12.3
313.12106	3.8
314.12979	2.4
315.13892	2.5
316.14322	2.9
325.11954	3.5
327.13394	2.5
330.16232	3.9
331.16876	3.7
337.11966	3.2
342.16183	4.1
344.13812	8.5
344.17615	3.1
345.18408	2.4
354.16138	3.0
355.13168	3.2
357.14700	3.8
358.15363	5.5
359.16452	2.8
360.17535	3.5
369.14459	6.2
371.16730	3.4
372.17166	3.5
373.17783	2.8
386.18610	8.6
399.15564	4.0
401.16806	2.7
402.18042	10.0
404.19705	3.9
414.18375	12.7
415.16602	2.4
420.19131	17.8
422.20578	3.1
430.17688	5.9
432.19214	68.8
433.19092	4.1
444.19293	3.6
446.20740	3.8
448.18512	11.9
460.18826	11.3
480.21115	9.9
492.21384	10.5
504.21338	4.4
506.22891	2.8
548.20129	8.3
567.25757	6.6
578.21857	3.0
585.26855	3.1
595.25287	4.9
609.26160	3.1
613.26373	7.3
627.28052	29.0
637.26227	2.9
653.25568	7.3
655.27563	22.6
656.27930	3.7
671.27118	57.2
672.27350	3.8
681.25623	3.9
687.29517	4.7
699.26550	99.8
700.25641	6.5
731.29004	31.9
732.29706	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	730.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.3
55.01872	11.7
55.05512	26.1
57.03438	12.7
61.02929	6.3
63.48765	3.4
65.03938	6.7
67.05167	6.6
67.05508	91.8
69.03452	4.1
69.07075	16.2
71.04995	8.7
71.59412	4.2
79.05497	91.9
81.03423	15.3
81.07059	59.8
83.05009	17.7
83.08611	9.6
85.02901	6.0
85.06541	5.4
88.22435	3.4
91.05482	44.9
93.07053	91.2
95.04967	22.4
95.08612	38.6
97.06535	13.4
97.10159	3.1
99.08121	5.4
105.07034	30.0
107.04980	29.3
107.08603	41.1
109.06551	6.5
109.10155	20.2
111.04459	22.5
111.08099	7.2
117.07053	27.1
119.08611	23.2
120.08101	4.2
121.06531	7.1
121.10155	60.0
123.08120	6.7
123.11707	4.0
129.07030	9.2
131.08589	28.5
133.10149	16.7
135.08081	4.3
135.11690	40.5
136.07471	3.6
143.08499	6.5
145.06493	8.5
145.10136	41.8
147.08044	4.2
147.11734	11.4
148.07596	8.4
149.09639	8.9
149.13275	4.9
153.12767	9.8
155.08539	5.3
159.11714	11.3
163.11176	32.9
173.09645	21.2
173.13232	7.7
181.12241	14.8
190.05104	4.5
191.10730	21.4
204.06618	5.6
209.11783	9.7
213.16359	4.2
215.17920	20.2
227.12787	19.2
233.18997	22.3
265.14368	25.9
283.15390	70.2
301.16483	48.9
307.22711	100.0
315.13467	4.7
324.10773	3.4
333.24261	4.1
338.49380	3.9
339.13696	3.8
346.35010	3.8
399.15320	4.3
400.15961	5.5
410.85089	3.5
423.28931	4.6
440.22229	3.6
458.17139	6.4
487.34344	9.1
497.32520	9.4
515.33734	46.4
533.34723	78.7
612.25031	4.9
698.24823	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	729.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03228	1.0
65.03942	1.3
67.05498	1.4
74.12334	1.2
79.63430	1.1
89.03928	1.3
91.05511	1.2
92.44298	1.2
93.07053	3.4
94.06585	4.7
103.05494	3.2
108.04470	2.2
108.08147	6.4
112.07114	1.2
116.04990	5.4
118.06505	1.4
120.04487	6.4
120.08122	18.6
122.06052	17.8
134.06018	3.3
136.07593	19.5
137.45383	1.1
138.05525	1.5
144.04471	11.9
146.06029	9.3
148.07585	31.4
158.09691	1.5
159.09276	1.3
160.03964	3.2
162.05469	5.8
164.07133	3.5
166.08705	1.7
172.03961	49.9
172.07555	1.6
174.05574	1.4
176.07124	1.6
182.08296	2.4
182.09738	2.7
190.05048	16.2
193.27214	1.4
196.10020	1.5
197.10736	2.7
199.08661	1.3
199.12329	3.5
204.06593	100.0
209.10786	1.4
209.56592	1.4
210.09236	2.2
211.08685	4.4
211.12282	1.8
212.09418	3.1
213.13724	1.5
222.11534	1.4
223.08731	1.4
223.12233	2.4
224.09392	1.8
225.10240	12.4
227.11794	19.3
229.37099	1.4
235.08673	2.2
236.09468	3.3
237.10292	3.4
238.10995	2.1
239.11824	5.3
241.09639	1.9
246.83667	1.4
249.10326	3.6
250.11069	1.8
251.11807	4.7
252.08783	4.6
253.09714	8.4
255.11397	2.9
264.08810	6.9
265.09622	2.5
266.10602	1.6
267.11331	3.1
269.12851	15.7
271.10803	11.7
273.12369	1.4
277.09735	3.2
279.11383	12.9
281.12738	1.4
283.10870	5.8
284.11646	4.6
285.12445	6.3
286.13297	1.8
287.13959	19.5
295.10699	2.9
297.12408	5.7
300.11887	1.3
307.10690	6.4
311.14029	3.3
312.15082	1.7
313.12054	1.9
314.13049	3.2
315.13531	4.4
316.14389	1.6
321.08829	1.7
321.12411	2.3
323.10254	7.9
325.11893	3.3
326.16806	2.0
327.17453	2.2
328.10919	4.2
328.14465	2.7
329.15488	1.4
330.16074	2.6
339.13446	30.3
340.14172	2.4
341.11469	2.8
342.12350	9.9
342.15915	1.5
343.13303	6.3
344.13766	3.5
354.12283	1.6
354.16080	2.0
355.13406	3.2
356.13965	5.2
357.14352	3.1
358.15402	5.7
359.12509	6.4
359.16257	1.5
365.11215	4.4
367.13202	5.5
370.15775	6.0
371.16687	1.8
378.18024	1.6
380.13947	1.6
382.11969	5.0
383.12610	3.5
384.13452	3.8
385.14087	5.0
386.14517	2.0
386.18738	3.0
388.16412	2.4
390.18024	2.8
394.15405	1.4
398.10486	1.9
398.15121	18.6
399.15814	22.7
400.16486	2.0
402.18472	2.1
404.16180	5.9
411.11823	10.2
412.16495	3.0
414.18033	4.8
415.14972	1.5
416.16089	17.9
422.17114	2.3
428.16016	2.6
430.17889	2.9
440.16034	8.1
443.14661	12.4
446.17148	11.8
458.17221	35.4
459.17468	1.4
472.18631	1.5
490.19922	7.6
523.23480	2.4
565.24286	6.4
575.22729	3.8
593.23877	14.4
594.24744	2.0
609.26825	4.2
611.25153	21.7
625.26184	1.8
635.24597	5.1
653.25989	16.7
655.24268	7.2
679.24182	6.9
685.28033	3.2
697.25012	56.9
698.25159	4.0
709.92059	1.5
729.27100	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	729.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.4
63.96535	1.2
70.20117	4.2
79.05489	3.4
80.05032	1.5
91.05505	2.4
93.07035	2.5
94.06598	3.2
96.08092	1.6
103.05490	2.5
106.06567	1.3
107.07353	4.2
108.08105	8.8
110.09719	1.5
113.26739	1.2
120.04433	1.5
120.08121	17.4
122.06040	12.1
122.09682	12.2
122.43705	1.2
136.07591	12.6
138.09183	2.7
146.05974	1.3
148.07584	30.7
150.09154	12.9
166.08632	2.5
172.03935	3.3
189.82697	1.2
190.00587	1.3
204.06607	5.6
209.10745	1.5
211.08664	1.3
223.08821	1.3
223.12556	1.5
225.10258	3.3
226.10995	1.5
227.11797	2.3
235.08698	4.9
235.12189	1.2
236.09474	3.6
237.10239	8.7
238.11024	4.6
239.11794	5.1
240.20695	1.3
247.08655	4.2
248.09503	4.2
249.10281	16.4
250.11043	14.2
251.11810	13.7
253.09773	2.1
261.10297	6.6
262.11060	4.6
263.07867	1.5
263.08792	2.2
263.11807	34.4
263.14459	2.3
264.08875	2.8
264.12534	4.2
265.09729	5.5
265.13370	4.9
266.10437	2.1
267.11285	3.7
269.12909	2.5
271.10724	2.4
275.11734	2.5
276.08829	1.4
277.09793	5.5
277.13004	1.4
278.10452	3.4
279.11298	25.9
280.11743	1.7
281.09738	1.4
281.12827	4.1
282.10001	1.8
283.10776	3.4
285.12381	4.7
287.13974	1.5
289.09735	5.1
290.10434	4.0
291.11279	16.5
292.11960	2.8
293.09467	1.8
293.12891	5.0
295.10745	4.1
296.11734	1.5
297.12369	6.2
303.11194	2.0
305.12784	3.0
307.10684	10.9
308.11493	1.5
309.12375	11.9
311.13843	3.3
315.13617	1.4
317.09085	2.1
319.10767	5.6
321.12396	3.1
323.10165	3.1
323.13901	14.3
325.11954	6.1
326.12799	1.8
328.14319	4.8
335.10327	7.6
336.10922	2.8
337.11844	35.7
338.12244	1.5
339.13358	3.3
340.14532	3.0
342.16046	2.5
349.11829	11.3
351.13260	1.8
354.16058	3.5
355.13010	8.6
355.16714	1.7
356.13840	5.3
356.17758	1.7
357.14435	18.9
358.15195	2.5
367.13004	11.8
368.13916	4.7
369.14511	10.6
370.15378	3.1
381.14633	1.6
382.15494	1.8
383.16284	1.7
384.17050	2.0
388.16910	2.1
395.12347	2.6
397.13928	2.1
398.14740	2.1
399.15808	3.3
400.16296	1.5
409.14056	6.6
411.11771	2.2
414.18323	2.6
415.14984	4.2
416.15945	2.6
427.15076	8.5
428.15588	2.5
430.17291	2.2
442.17630	4.6
444.19070	1.8
458.16837	2.7
470.17325	1.6
472.18692	4.2
486.20090	1.3
490.19894	1.9
502.19867	6.3
503.20468	2.1
504.21075	4.4
520.20795	2.0
522.22430	3.0
532.20294	1.8
534.22876	2.8
562.21985	16.7
563.22272	2.3
564.23376	15.3
565.23920	1.6
576.19879	12.2
590.21167	1.5
593.23962	2.7
606.20892	66.3
607.21521	17.3
608.22394	100.0
609.22644	8.9
611.25220	2.9
625.26440	2.0
653.25793	2.6
697.24670	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	728.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74565	0.1
56.05035	0.7
57.26767	0.1
58.06384	0.2
58.06623	0.4
59.07397	0.2
60.08167	6.2
62.00737	0.2
67.05508	0.4
69.07079	0.2
70.06620	0.1
71.07376	3.8
77.25926	0.1
79.05500	0.5
81.03444	0.2
81.07059	0.7
82.52020	0.1
83.04963	0.2
83.08600	0.2
83.13368	0.1
86.09708	31.4
87.10044	0.2
89.06411	0.1
91.05468	0.3
91.15746	0.2
93.07072	0.3
95.04964	0.2
95.08614	0.4
95.42448	0.2
98.98470	3.5
98.99104	0.2
104.10737	2.1
105.07018	0.3
107.08583	0.2
119.08579	0.3
120.27198	0.1
125.00009	21.8
128.67972	0.1
133.10133	0.3
152.22523	0.1
184.07347	100.0
185.07742	0.8
206.27325	0.2
211.13257	0.2
285.16669	0.2
517.34863	0.2
728.44952	3.1
729.45587	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	728.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06666	1.6
53.00308	3.0
53.03935	4.2
53.11984	1.3
55.01881	4.4
55.05518	20.6
57.03440	13.0
57.07069	2.2
59.05008	3.1
60.08168	1.4
61.02916	3.7
65.03928	2.3
67.05170	3.1
67.05510	43.5
69.03439	2.8
69.07063	8.2
71.01334	2.9
71.04997	3.0
71.59166	1.9
71.59562	2.6
73.02937	1.6
77.03870	1.7
79.05058	2.9
79.05499	46.4
81.03409	2.7
81.06577	2.5
81.07066	44.4
83.04991	4.0
83.08636	12.3
85.02912	4.5
85.06533	3.7
86.09706	4.9
91.05491	31.0
93.07048	50.3
95.04961	6.5
95.08043	2.1
95.08622	25.7
97.02907	7.2
97.06506	4.0
97.10139	2.9
99.00820	15.3
99.08121	2.4
105.07046	26.1
107.04946	4.7
107.08601	21.5
109.02870	9.5
109.06530	3.6
109.10159	15.3
111.08080	4.6
115.03983	1.8
117.07024	6.3
119.08611	14.2
121.06519	6.5
121.10166	19.5
122.41008	1.4
123.04424	2.7
123.08089	1.7
123.11689	4.3
125.00020	2.5
125.09695	2.4
127.03933	2.6
131.08601	11.5
133.10144	33.8
135.11705	18.9
137.09657	2.3
139.07559	2.4
142.36032	1.4
143.08594	5.5
145.10118	11.0
147.11674	5.4
149.09578	2.0
149.13268	7.8
151.11250	7.4
159.11688	6.4
161.09657	13.6
161.13174	3.4
167.35153	1.7
171.08101	3.6
171.11705	2.4
173.13255	5.3
177.12918	1.7
179.10725	7.8
184.07376	15.0
187.14825	3.1
189.09125	6.8
197.11732	4.1
205.19531	2.8
207.10133	2.0
215.17992	24.4
225.11290	13.1
233.19019	21.6
233.93558	1.7
243.12233	3.5
247.06233	1.6
281.13861	3.4
289.21533	1.9
299.14917	91.8
307.22690	100.0
308.23013	2.7
439.28268	3.8
503.33505	2.6
513.32532	3.4
531.33191	41.4
532.33661	1.8
696.22705	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	727.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31368	0.5
67.05508	1.1
70.56153	1.5
73.35485	0.5
75.28744	0.5
79.05503	0.8
80.05009	1.0
81.07056	0.9
83.05019	0.6
85.02898	0.6
91.05484	1.5
93.05786	1.7
93.07049	1.2
94.06571	3.0
94.35381	0.5
95.08631	0.8
105.07043	1.1
108.08123	9.5
109.10152	0.6
117.05775	0.6
118.06589	1.0
120.08121	1.5
121.10138	0.6
122.06047	5.3
129.07025	0.6
132.08101	0.8
133.10173	0.7
134.06052	1.6
136.07585	11.1
140.82910	0.5
144.04433	0.8
144.08122	0.5
145.10144	0.5
146.06070	1.0
148.07574	2.8
151.28101	0.5
156.08116	0.8
158.06004	0.5
162.05537	1.2
164.07062	10.9
164.08359	0.6
165.09198	0.7
172.03983	3.0
172.07635	0.5
172.14844	0.6
179.99789	0.5
184.07440	1.0
186.09219	1.0
190.05098	1.2
197.10779	0.7
204.06595	4.8
206.08330	1.1
209.10748	0.6
211.12445	0.6
220.09912	0.5
221.10860	2.3
223.08661	1.1
223.12341	0.6
225.10304	2.1
227.08263	1.0
227.11790	2.7
233.10706	0.5
235.08675	0.9
236.09517	1.0
237.06874	0.6
237.10216	3.1
239.11855	0.8
241.09860	0.9
243.07648	0.8
243.11369	1.5
247.08743	0.6
248.09483	0.9
248.36356	0.6
249.10254	5.5
250.11096	1.2
251.08261	0.8
251.11769	2.4
253.09778	1.7
261.10367	1.7
263.08331	1.4
263.11853	3.1
264.08994	1.6
265.09738	6.1
266.10315	0.8
267.11295	1.4
269.09464	0.7
269.12885	2.4
271.10858	2.6
275.11813	1.0
277.09772	5.2
277.12714	0.7
278.10669	1.2
279.11365	4.0
281.12936	0.9
283.10785	3.4
284.11615	0.8
285.12439	2.3
287.14020	2.3
289.09399	0.5
291.08218	0.9
291.11331	4.0
292.08444	1.2
292.11597	0.6
293.09329	0.8
293.12842	1.2
294.09940	0.9
295.10956	1.2
297.12558	0.9
299.14435	0.6
305.09280	3.1
305.12677	1.0
307.10675	2.3
309.12546	2.0
310.13391	0.8
311.14319	1.3
312.15079	1.1
319.11038	0.6
323.10599	1.1
324.11426	1.3
324.15100	0.6
325.12149	4.6
325.15692	0.7
326.12793	1.4
326.16617	1.5
327.14078	0.7
328.14691	0.6
331.10635	0.6
335.10278	0.8
337.11981	2.2
338.12982	3.0
338.16470	0.8
339.13589	4.3
340.10751	0.9
340.14386	5.3
340.17929	0.8
342.12436	0.7
342.16196	1.6
351.13940	1.2
352.10880	1.1
352.14554	5.0
353.11572	0.9
353.15244	3.6
354.12329	2.3
354.16156	3.9
355.13031	1.2
355.17017	1.1
356.13885	1.3
356.17883	0.7
364.14517	0.8
365.11819	0.8
366.11981	2.5
366.16595	2.7
367.13092	4.4
368.13672	5.8
368.17590	2.8
369.14801	1.7
370.15625	1.4
380.13922	7.3
381.14761	4.5
382.15598	9.9
383.12085	0.8
383.16415	2.8
384.17239	1.1
394.11172	0.7
394.15970	2.7
395.16501	1.7
396.13266	2.8
396.17804	4.7
397.13733	0.9
398.14673	1.5
398.18881	1.4
400.16733	1.5
408.13690	1.5
409.14548	1.3
410.14966	6.2
411.11310	0.9
411.15906	1.8
412.16550	2.1
413.13498	0.8
414.18307	1.3
424.16653	3.2
426.18222	2.2
427.10968	2.8
428.16190	1.9
438.14572	1.7
441.12277	2.3
442.17847	5.4
444.19272	0.7
446.17416	0.7
452.16214	1.7
454.18246	0.8
456.14996	2.7
460.19186	0.9
468.15601	0.6
470.17233	7.8
471.17297	0.8
476.17938	1.1
484.18909	0.8
486.20428	1.0
488.18152	5.8
489.18814	0.8
500.18536	0.8
502.19702	1.7
510.01660	0.5
512.18182	2.2
514.16052	1.6
528.17786	0.6
529.18561	1.9
530.19336	8.7
532.17010	0.9
555.16382	0.7
556.17108	2.8
572.16711	1.2
573.17444	14.2
574.18225	100.0
575.18585	5.7
591.22021	2.9
604.19415	1.1
609.23517	1.5
623.24963	2.8
633.23529	1.2
641.26105	0.9
651.24609	4.2
665.25580	0.9
677.22485	2.1
683.27161	1.9
695.23492	14.7
696.23529	1.4
709.25854	0.7
727.25073	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	726.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.05028	1.2
58.06614	0.6
60.07875	0.4
60.08166	6.0
67.05508	0.9
71.07381	3.5
71.59148	0.4
77.58170	0.2
79.05482	0.7
81.03409	0.3
81.07069	1.1
83.08604	0.3
83.96597	0.3
86.09709	33.6
91.05476	0.7
93.07043	0.8
95.08616	0.4
97.61996	0.2
98.98466	3.6
104.10750	2.1
105.07031	0.5
107.08565	0.3
121.10137	0.3
125.00011	23.7
126.87304	0.3
127.23347	0.3
143.01094	0.4
184.07349	100.0
185.07657	0.9
220.81041	0.3
254.89740	0.3
283.15329	0.5
307.22656	0.3
329.57635	0.2
460.95322	0.3
461.02359	0.3
515.33270	0.4
671.10620	0.3
726.43701	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	727.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43330	3.1
63.61544	3.7
66.82055	2.8
67.05520	4.3
70.76920	7.5
70.77260	5.3
79.05477	8.1
81.05885	4.1
91.05470	7.5
93.07073	6.8
94.06553	14.1
95.04955	4.4
103.05478	6.6
108.08121	25.6
109.02618	3.5
118.06503	3.1
120.08112	44.9
122.06045	70.6
123.02356	3.1
136.07593	42.4
148.06514	6.2
148.07594	72.4
152.76720	3.8
162.01915	3.2
166.08670	6.4
235.08522	4.2
247.08604	5.7
248.09445	4.3
249.10243	46.0
251.11725	4.7
261.10373	5.9
263.11813	5.8
265.09882	4.7
267.11182	3.7
277.09760	33.9
291.11261	3.5
309.12433	18.3
311.11133	4.5
322.13416	6.5
326.13058	9.5
330.12479	6.4
338.16629	5.0
339.14487	6.2
340.10767	9.1
340.14496	10.6
342.12354	7.4
342.16223	6.4
352.14493	6.0
353.11578	6.0
354.12399	21.0
354.16122	7.2
355.13153	12.9
356.13889	12.2
364.14417	10.7
366.12112	5.5
366.16031	10.8
367.13382	12.5
368.14011	36.3
369.14764	18.2
370.15564	8.1
380.13916	8.5
382.11600	15.1
382.15945	21.3
383.12262	6.4
383.16479	8.3
384.17322	18.9
392.14020	12.1
395.12830	8.5
396.13269	19.9
397.14038	11.0
398.18906	23.3
400.16983	4.5
402.14716	4.6
410.14987	20.3
412.16626	21.0
414.14331	8.4
420.13892	7.6
426.14270	12.0
428.16019	16.4
438.14490	60.9
439.14996	4.5
442.17609	11.6
444.19592	18.2
452.15878	12.6
456.15598	100.0
457.15768	5.1
458.16711	8.9
470.17026	13.2
476.18469	25.9
488.18301	39.7
489.19061	4.7
543.72455	3.9
563.22797	10.7
573.21570	6.2
577.25183	5.7
579.25757	5.2
591.22400	61.3
595.25330	15.7
605.23553	6.1
623.25226	53.0
633.23132	7.3
641.26050	11.1
651.24200	15.9
665.25659	19.0
677.22430	5.6
683.27136	91.4
684.27502	8.6
695.23529	25.7
709.24701	12.7
727.26105	68.3
728.25848	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	725.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.6
54.48017	3.2
55.01866	5.1
55.05517	37.3
57.03431	9.9
57.53379	3.7
65.03938	5.1
67.05510	83.8
69.03446	5.8
69.07073	25.5
71.04976	4.5
71.59798	4.7
73.66348	3.2
79.05497	83.1
81.03430	20.2
81.07064	100.0
83.04977	6.8
83.08628	16.0
91.04956	6.9
91.05482	62.8
93.07050	83.4
95.04957	17.8
95.08604	55.5
95.74873	3.6
96.68935	3.5
97.06545	9.7
97.10176	6.9
103.05486	3.9
105.07046	44.0
107.04985	5.0
107.08604	34.7
109.06542	4.8
109.10149	23.3
111.08083	3.7
113.09679	4.1
117.07053	11.4
119.08606	30.9
121.06529	4.2
121.10146	33.5
123.04405	5.0
123.11699	8.5
125.00007	4.6
125.09630	3.8
129.07007	13.4
131.08571	21.7
133.10146	19.6
135.04440	8.5
135.11705	22.5
137.05975	11.7
141.07014	13.4
143.08580	7.5
145.06483	7.9
145.10178	18.2
147.08054	3.9
147.11699	19.3
149.05974	10.1
149.13275	10.3
153.06998	5.9
155.08527	5.2
157.06500	11.9
157.10146	4.5
159.08113	6.2
159.11653	9.2
161.06033	11.5
161.13289	13.8
163.03928	20.4
163.07591	6.0
163.14874	9.2
165.07002	10.4
167.04861	5.0
167.08633	8.0
169.06511	10.0
171.08032	11.4
171.11664	3.7
173.06010	33.1
173.13277	10.0
175.07553	10.0
175.14832	4.1
177.05487	15.2
177.09134	6.9
178.07878	3.9
179.08595	5.2
181.06464	29.5
183.08043	11.7
184.07278	7.4
185.06009	13.1
187.07529	31.2
189.05492	9.6
193.06432	4.9
195.08052	15.5
197.06001	50.3
197.09651	4.5
199.07550	54.4
201.05511	6.4
201.09152	6.0
203.07053	11.8
207.08086	12.7
209.09776	5.1
211.07564	15.2
213.05479	12.4
213.09039	16.6
215.07001	17.7
215.10664	3.7
221.09767	6.9
223.07568	6.5
225.05492	15.4
225.09134	10.1
227.07137	8.7
235.11098	4.1
235.14803	4.3
239.10612	4.0
239.83415	3.4
240.07013	3.6
243.21049	8.1
251.07161	3.9
253.16095	3.4
255.13635	5.7
259.20587	6.4
261.22189	26.7
263.14313	9.7
267.15909	6.0
273.12589	4.9
273.15121	5.2
281.15466	16.2
291.13858	10.6
293.15372	4.1
301.14343	14.2
309.14893	60.0
311.16345	8.0
327.15921	60.1
335.25867	72.9
336.26096	6.1
337.14417	31.4
345.17099	24.2
355.15366	14.3
357.93567	4.0
373.16473	13.8
383.18738	6.2
401.19809	7.9
419.20490	4.7
429.19009	7.1
447.20224	27.9
587.36755	7.9
615.37579	5.7
661.40936	6.0
707.41333	10.1
725.42682	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.4
56.41033	1.1
65.03918	1.1
67.05504	2.5
68.81374	1.2
69.03423	1.1
71.59468	1.5
76.31934	1.1
79.05498	3.4
80.05007	3.1
80.52906	1.1
81.03416	1.6
81.07059	4.2
82.06597	1.4
85.02909	2.1
91.05499	4.0
93.05801	8.4
93.07062	1.6
93.09673	1.0
94.06574	4.9
95.08611	2.0
105.07053	1.4
107.08595	1.4
108.08128	32.5
109.10122	1.3
118.06570	1.7
119.08607	1.3
120.08098	3.6
121.10085	1.4
122.06032	1.3
130.06544	1.1
132.08125	2.7
134.06035	2.4
136.07607	18.7
146.09744	1.2
148.07564	3.0
152.07155	1.4
156.08083	2.1
164.07091	24.2
165.09099	3.4
186.09180	3.3
206.08086	1.5
211.08708	1.6
221.10794	1.2
225.10420	1.3
235.08626	2.4
247.08691	3.7
249.10211	1.4
261.10437	1.3
287.08093	1.5
289.09641	1.2
313.12338	1.6
317.09039	1.2
324.11694	1.5
337.12817	1.4
338.13049	2.8
339.14023	2.2
340.10846	1.4
340.14536	2.0
341.11755	2.1
350.12894	2.0
352.10739	1.9
352.14572	4.2
353.12079	1.9
354.12332	2.7
354.16211	1.7
355.13229	1.8
356.13998	2.6
364.14633	2.5
366.12436	6.4
367.13330	2.8
368.14023	2.2
370.15652	1.7
378.12350	2.1
379.13419	2.0
380.13882	5.6
382.11575	2.6
382.15582	6.3
384.13544	6.3
392.14432	1.8
394.11621	2.5
394.15952	1.9
395.12701	3.2
396.13211	1.7
398.14975	3.7
400.16653	2.0
408.13425	3.6
410.15112	13.3
412.16785	1.5
415.15616	1.4
424.16898	2.6
426.14273	1.9
428.16354	1.6
429.17197	1.2
434.15390	2.6
435.11990	1.7
441.17322	1.8
444.15567	3.3
450.14304	5.6
452.16281	7.5
457.16641	4.0
459.17941	1.3
470.18350	1.5
471.18417	2.5
472.14462	1.9
472.19763	1.5
473.20163	2.0
478.13950	3.5
483.17316	1.5
485.15726	6.9
486.16669	2.6
487.17175	3.8
487.22583	1.9
488.18643	1.6
496.15002	2.5
500.18701	6.4
501.19397	7.4
502.20230	6.9
503.20755	3.2
512.19000	1.5
515.20966	6.2
517.22186	4.8
529.18481	1.5
533.22437	1.4
543.20081	2.2
545.21826	1.4
561.21350	5.9
575.22894	3.2
577.24219	1.6
579.22333	1.5
587.22858	1.2
589.20343	3.9
603.22144	4.1
605.23810	10.6
607.21692	4.0
619.21497	1.4
621.24072	5.8
631.22015	15.5
632.22650	1.8
647.21014	4.0
649.23096	27.4
650.23157	1.7
675.20892	45.7
676.20544	2.3
693.21948	100.0
694.22290	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	724.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.3
55.05516	13.8
57.03429	1.8
57.07079	2.6
59.95789	1.3
65.03944	1.9
67.05513	37.3
69.07068	12.3
71.05000	1.7
71.60552	1.9
77.03938	1.7
79.05500	43.3
81.06577	2.1
81.07063	39.6
83.05006	2.9
83.08620	5.0
91.05487	25.9
91.06015	2.6
93.07055	46.4
94.06584	3.3
95.04980	5.5
95.08610	25.8
97.06548	2.2
97.10194	2.6
102.27454	1.7
105.07043	14.7
107.08606	20.7
109.06541	2.3
109.10152	9.8
113.00031	9.8
117.07043	5.0
117.16015	1.5
119.08597	13.2
121.10155	14.3
123.11713	3.3
125.09678	1.5
131.08560	8.5
131.68175	1.6
133.10149	7.2
134.07018	1.6
135.11703	11.4
145.10141	5.2
147.11717	4.1
149.13275	3.7
159.11800	2.4
161.13237	4.2
169.02632	6.1
173.13300	2.5
184.07358	3.3
187.15067	1.3
224.01634	1.6
243.21205	1.5
250.25348	1.4
261.22214	4.5
262.25339	14.3
280.26358	2.4
317.24768	4.0
335.25635	4.0
544.50964	3.8
546.52686	1.8
595.47235	100.0
596.47693	7.6
612.46887	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	724.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03853	1.6
53.03957	8.7
53.10116	1.9
55.01873	3.5
55.05512	28.3
57.03441	21.4
57.07078	2.8
61.02917	4.7
63.39354	1.6
64.23028	1.8
67.05510	86.3
68.83884	1.7
69.03446	4.3
69.07071	18.9
69.28132	9.8
69.28554	8.2
71.05000	5.2
73.02950	2.0
79.05502	59.2
81.03423	100.0
81.07060	79.6
83.04992	7.2
83.08622	28.7
85.02907	7.7
85.06544	2.9
91.05482	45.8
93.07051	64.0
95.04973	31.4
95.08613	52.1
96.08911	2.1
97.02898	5.4
97.06533	5.8
97.10162	7.7
105.07030	31.8
107.04969	9.6
107.08595	27.7
109.06538	5.6
109.10172	22.7
111.08095	9.3
117.07030	7.8
119.08593	33.0
121.06467	4.6
121.10150	28.0
123.04457	2.7
123.08078	6.6
123.11745	6.9
125.09647	3.4
129.07033	13.8
131.08565	22.9
133.06464	2.7
133.10143	15.8
135.08072	2.8
135.11691	16.1
137.09627	2.4
142.07706	2.0
145.10092	10.1
147.08054	5.5
147.11707	15.3
149.09624	6.3
149.13300	9.0
157.10136	10.9
157.54597	1.7
159.11702	5.2
161.13322	4.2
163.11116	2.3
163.14844	4.5
165.12805	2.5
171.11702	3.1
173.13260	7.6
175.11234	8.7
185.13329	2.9
187.14848	3.9
189.11230	3.9
193.12253	27.9
211.13324	2.5
227.12825	5.7
243.20966	4.1
249.14761	2.3
259.13504	2.4
261.22159	20.8
267.15939	94.0
279.23047	2.2
281.17474	2.3
301.25156	4.9
309.17114	3.9
317.24750	4.2
318.61862	1.8
335.25812	96.7
336.26248	3.6
435.32584	4.0
453.33591	5.5
471.34555	2.6
527.37372	44.7
544.40558	4.5
545.38251	17.9
555.21350	2.1
595.47125	17.4
634.82996	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	724.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01873	5.5
55.05523	3.3
56.32124	1.3
57.03427	4.6
57.07065	2.4
57.25828	1.4
59.30497	1.3
61.02917	3.8
67.05493	6.4
68.33341	1.4
68.99801	3.2
69.03084	2.2
69.03436	28.6
69.07066	6.4
71.03566	2.8
71.04991	4.0
73.02915	4.5
79.05501	5.5
81.03426	20.6
81.07066	13.3
83.08608	3.6
85.02909	69.0
86.65452	1.7
87.00314	2.1
87.00838	34.7
91.05479	6.0
93.07063	10.2
95.04948	1.8
95.08611	20.5
97.02913	19.6
97.71147	1.3
99.04478	11.7
105.01877	43.2
105.07044	12.7
105.07706	2.0
107.08604	22.6
109.02896	22.8
109.06533	1.9
109.10165	19.4
111.08097	2.2
111.11609	1.6
117.01848	2.0
117.06998	3.5
119.08588	20.5
121.06481	2.2
121.10152	21.1
123.08054	2.0
123.11729	6.5
125.09685	1.7
127.02979	2.3
127.03924	45.7
128.10043	1.4
129.07008	2.6
131.08598	7.1
133.10149	16.9
134.11629	1.6
135.08070	28.8
135.11671	8.6
137.09630	2.1
137.13228	2.6
142.07820	1.6
143.08540	5.8
145.04961	14.7
145.10147	15.1
145.51816	1.6
147.02922	2.4
147.08066	7.7
147.11662	10.8
149.09621	4.6
149.13268	7.0
155.08516	1.9
157.10121	7.8
159.02893	7.5
159.08038	4.5
159.11728	14.2
160.81522	1.4
161.09644	18.1
161.13248	8.0
163.03949	1.6
163.11185	1.7
163.14822	4.7
165.09094	3.1
169.10124	2.9
171.08118	2.0
171.11685	6.4
173.09668	3.3
173.13232	7.2
175.11195	5.4
175.14883	8.9
177.12773	4.3
177.16402	7.8
183.11742	6.0
185.09682	3.8
185.13295	4.4
187.11182	2.1
187.14822	15.1
188.12004	2.2
189.03917	2.2
189.12723	2.7
189.16414	5.4
189.89175	1.7
191.14285	2.2
195.11665	2.0
197.13235	4.1
199.14885	3.5
201.12701	4.5
201.16374	6.1
203.12439	2.9
203.14334	49.5
203.17926	1.9
205.15910	11.7
205.19678	1.7
211.14819	2.8
213.04028	4.1
213.16432	4.6
215.14391	2.8
215.17924	11.1
217.15866	32.8
219.13765	2.9
223.14906	1.8
223.16917	4.0
225.16356	3.5
227.14319	5.1
227.17964	3.9
227.37964	1.6
229.15823	1.8
231.05035	15.6
231.17661	1.6
233.18988	7.5
239.18068	1.6
241.15846	5.9
245.19026	2.0
249.06108	4.4
253.19577	6.7
255.17220	1.5
267.21066	2.4
269.15195	2.5
269.19128	2.1
271.20578	2.5
283.16794	2.4
311.23676	1.7
330.30325	1.5
387.30399	3.4
405.31500	28.8
423.32605	71.8
424.32928	4.2
441.33676	100.0
442.33978	4.9
489.33176	1.8
623.23462	1.8
671.38062	2.6
689.38831	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	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01877	2.2
55.05517	10.4
57.03438	11.1
57.57629	0.9
59.05000	0.9
61.02918	1.3
65.03918	1.5
67.05175	1.1
67.05507	18.1
67.25301	0.9
67.99220	0.8
69.03433	4.6
69.07047	4.1
70.03776	1.1
71.04974	3.7
73.98878	0.8
79.05499	17.0
81.03419	80.8
81.07057	20.0
83.04984	9.3
83.08627	20.0
85.02914	12.1
85.06528	1.5
89.03899	2.0
91.05479	22.0
93.07055	13.4
95.04971	25.5
95.08606	7.7
97.02885	5.0
97.06528	4.5
97.10162	6.4
105.07040	16.4
107.04968	7.7
107.08593	6.7
109.02886	1.8
109.06505	3.8
109.10155	4.3
109.47549	0.9
111.04446	2.3
111.08087	8.6
113.05990	1.6
115.05450	1.5
115.26794	0.8
117.03402	1.2
117.07004	2.7
119.07780	1.5
119.08583	16.3
121.06531	4.5
121.10143	8.6
123.04427	3.6
123.08077	3.6
125.09669	5.1
127.03932	1.5
129.07010	10.7
131.08594	10.3
133.06477	2.8
133.10155	8.1
135.04411	3.6
135.08023	3.3
137.05888	0.9
137.09630	2.5
142.07771	1.8
145.02904	1.1
145.06479	5.3
145.10127	2.5
147.04457	1.6
147.08035	3.6
147.11699	11.5
149.09653	7.2
151.03873	1.7
155.08597	1.3
157.10136	13.3
159.08128	1.2
163.03899	16.3
163.11206	2.0
164.04224	5.0
165.12772	2.3
166.09372	0.9
171.08041	2.0
173.02423	1.0
173.09579	1.3
175.11183	12.1
183.34897	0.9
189.11252	1.6
193.12239	34.0
194.12500	1.5
211.13290	15.1
213.12701	1.1
227.12660	1.6
229.14345	1.9
249.14857	1.8
255.13760	3.2
267.15921	100.0
268.16315	2.4
273.14984	4.6
283.15283	1.2
285.16925	15.5
295.06000	2.6
296.06470	1.5
313.07071	1.3
341.20917	1.5
349.21570	3.4
367.22681	10.5
385.23624	12.2
403.24725	3.2
404.25266	1.0
416.11243	1.0
433.25964	15.4
441.26364	5.3
459.27420	68.6
460.27551	3.6
477.28494	44.6
477.35492	1.9
478.28659	2.4
519.29407	1.4
672.24921	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	723.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
55.01876	2.8
55.05501	5.4
57.03432	5.5
58.48303	1.1
61.02903	3.7
67.05512	7.9
68.99772	1.7
69.03436	27.9
69.07077	6.0
70.12973	5.9
70.30815	1.3
71.05014	2.6
73.02910	5.2
78.69040	1.1
79.05495	9.7
81.02973	2.3
81.03418	28.1
81.07056	12.4
83.04966	1.6
83.08617	4.1
85.02908	44.6
87.00831	16.8
89.86898	1.3
91.03935	1.4
91.05492	9.4
91.05979	1.6
93.07064	14.0
95.04948	4.6
95.08614	20.7
97.02901	16.3
97.06522	3.1
98.20865	1.7
99.04454	8.9
105.01877	12.9
105.07039	19.3
107.04957	2.2
107.08601	23.1
109.02882	22.4
109.06522	2.5
109.10164	13.0
111.04437	1.3
111.08120	2.5
117.07049	3.3
119.08595	20.2
121.06525	2.7
121.10135	9.4
123.08094	2.7
123.11673	2.1
125.09637	4.8
127.03925	32.1
129.01826	2.3
129.07018	2.1
131.08577	8.1
133.06519	4.3
133.10126	11.8
135.04364	1.4
135.08064	24.5
135.11674	7.0
136.12036	1.3
137.09628	3.1
143.08588	5.0
145.04994	9.3
145.10129	12.8
147.08049	8.2
147.11684	9.1
149.09615	4.9
149.13281	3.9
155.08572	1.5
157.10168	8.6
159.02913	9.7
159.08075	4.9
159.11703	8.5
161.09642	17.9
161.13301	7.3
163.03893	7.7
163.11176	3.4
163.14842	2.3
169.10147	1.9
171.11671	6.0
173.09621	4.1
173.13264	10.1
175.11249	8.4
175.14818	7.1
177.12729	2.6
177.16409	1.6
178.34715	1.3
183.11726	3.5
185.13260	5.6
187.11105	2.8
187.14821	5.3
189.12730	3.8
189.16386	3.1
191.14252	2.5
193.12199	3.1
197.13249	2.1
198.97041	1.4
199.11284	2.9
199.14818	3.5
201.12776	3.4
201.16438	3.6
203.14337	41.1
203.17833	3.0
204.14757	1.9
205.15959	2.8
209.13319	2.0
211.14917	1.7
213.03893	2.8
213.12845	1.5
213.16429	3.7
215.14320	4.1
215.17989	1.7
217.15871	15.3
219.13657	1.9
221.15376	3.9
225.12668	1.5
227.14391	1.8
227.17964	2.4
229.15855	3.8
231.05045	5.7
231.17458	4.1
235.16852	2.5
239.17946	2.0
241.15919	2.6
243.17438	2.4
257.19000	2.1
267.15851	6.2
268.16171	2.3
269.18970	1.9
283.15372	3.3
284.15839	2.1
295.20590	1.8
297.22189	1.8
311.23962	1.5
391.29846	1.5
403.29965	5.5
421.31024	24.9
422.31525	1.8
439.32092	100.0
440.32404	6.9
457.33142	41.4
458.33298	1.6
475.26837	2.4
476.27359	8.3
477.28259	2.6
494.28305	1.5
619.37769	1.6
705.38562	16.8
706.38959	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	723.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.8
55.01853	6.7
55.05507	10.4
57.03431	6.2
57.07074	3.3
59.40785	1.9
61.02921	6.9
66.02892	2.0
67.05511	12.1
68.99783	4.9
69.03078	3.6
69.03434	49.6
69.07066	10.8
71.04986	6.3
71.08608	2.1
73.02919	3.5
79.05470	8.6
81.03423	28.1
81.07054	25.7
83.04999	3.3
83.08616	6.8
85.02908	100.0
87.00298	3.2
87.00832	49.0
89.03911	2.3
91.05471	8.8
93.07053	21.3
93.89574	2.3
95.04988	2.8
95.08614	32.2
97.02897	26.9
97.06507	5.8
97.10121	3.1
99.04458	15.9
99.08092	2.5
100.23113	2.4
105.01178	3.9
105.01866	59.5
105.07034	19.5
107.04958	3.6
107.08605	30.2
109.02887	33.7
109.06504	4.4
109.10158	28.3
111.04481	2.9
111.08038	2.9
112.39060	2.3
117.01820	3.0
117.07037	2.8
119.08586	30.6
121.06524	13.7
121.10150	26.5
123.04452	3.5
123.08046	2.9
123.11711	9.7
125.09630	6.3
127.03921	69.1
129.01833	2.6
131.08582	11.6
133.06496	4.5
133.10136	29.1
135.04416	7.8
135.08092	13.3
135.11673	12.3
137.09612	13.0
137.13257	3.4
139.11165	2.5
142.07776	3.1
143.08539	6.1
145.04959	20.3
145.10115	16.8
147.08087	7.9
147.11688	15.7
149.05945	6.9
149.09630	5.5
149.13258	10.1
151.03972	2.8
156.09402	3.1
157.10110	10.2
159.02888	11.0
159.08070	8.1
159.11694	21.2
161.09586	7.2
161.13304	5.6
163.03934	20.1
163.11162	5.2
163.14835	5.3
165.09120	85.6
169.10136	5.1
171.11653	8.8
173.09619	6.9
173.13255	14.7
175.11176	5.9
175.14835	8.7
177.12785	4.4
177.16367	7.1
183.11688	6.3
185.09604	4.8
185.13293	4.4
186.10413	4.3
187.11267	6.1
187.14810	10.6
189.03888	2.4
189.12726	11.1
189.16376	5.1
191.14308	2.3
191.17934	3.9
197.13239	4.7
199.11185	14.5
199.14793	4.0
201.12743	24.8
201.16418	5.5
203.14340	24.7
203.17880	6.6
205.12268	6.4
205.15907	9.9
205.19504	4.4
213.04007	4.3
213.12767	5.3
213.16429	3.5
215.14316	13.7
215.17966	6.4
217.12265	4.0
217.15910	3.9
219.13837	4.5
225.16348	2.3
227.14340	3.1
229.15918	3.5
231.04980	16.2
231.17480	8.0
233.18944	3.6
235.13306	6.1
249.06088	4.7
267.17453	2.4
269.19116	3.3
281.18915	2.3
305.24860	2.5
341.24728	4.2
359.25797	3.2
365.24710	8.3
366.68771	2.3
383.25732	5.9
393.31561	3.0
403.29968	14.1
421.31027	62.3
439.32068	90.8
440.32324	3.7
457.33133	70.7
475.34006	3.9
539.04193	2.3
552.39819	2.3
705.38074	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	723.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01861	2.5
55.05525	5.8
57.03430	2.6
57.07067	1.1
61.02927	1.5
65.03947	1.1
67.05514	8.9
69.03429	13.3
69.07069	2.1
69.41354	9.4
71.04995	2.9
79.05490	5.8
81.03431	6.2
81.07070	13.6
83.04989	18.3
83.08607	2.6
85.02419	2.1
85.02911	27.0
87.00837	12.1
91.05489	7.8
93.07046	12.4
95.04964	3.3
95.08050	2.1
95.08611	29.6
97.02887	7.7
97.06541	3.3
97.10160	1.8
98.21535	2.3
99.04430	3.1
99.08110	2.9
105.01866	9.8
105.07034	14.2
107.04913	1.1
107.08599	24.1
109.02911	9.2
109.06481	2.2
109.10152	12.8
111.08061	4.3
117.07043	2.2
119.08594	18.4
121.06501	4.4
121.10148	11.6
123.08078	3.3
123.11718	4.9
125.09669	6.3
127.03936	17.4
129.06981	1.5
131.08568	7.9
133.06451	1.7
133.10132	13.3
135.07106	1.7
135.08067	22.4
135.11688	5.8
137.09608	3.2
142.07741	1.8
143.08545	4.2
144.09361	2.0
145.04970	4.7
145.06511	1.2
145.10127	9.9
147.02875	1.2
147.04393	1.3
147.08058	5.4
147.11711	10.6
149.06000	1.6
149.09616	5.2
149.13263	3.1
151.11182	1.6
155.08623	1.6
157.10150	9.3
159.02913	2.1
159.08020	4.3
159.11693	16.0
161.09648	12.4
161.13274	6.9
163.03934	5.2
163.11183	1.2
163.14844	2.0
165.09047	6.6
169.10168	2.6
170.10968	1.6
171.11713	6.0
171.53392	1.1
173.09634	4.5
173.13243	11.0
175.11156	4.2
175.14838	4.4
177.12700	2.3
177.16397	1.9
183.11684	2.6
185.09590	1.5
185.13263	4.3
187.11176	4.1
187.14815	4.7
189.03906	1.4
189.12755	4.9
189.16342	2.2
191.14360	2.5
197.13184	1.9
199.11172	1.8
199.14848	5.3
201.12743	6.9
201.16336	2.9
203.12413	2.2
203.14326	43.1
203.17984	2.0
205.15875	4.2
209.13194	1.9
211.14882	2.4
213.04015	2.0
213.12762	1.6
213.16422	4.4
215.14362	3.1
215.17929	2.1
217.15895	8.8
219.13783	20.8
219.17192	2.0
223.14798	1.2
227.14340	1.7
227.18007	1.5
229.15874	3.6
231.05005	4.5
231.17412	3.8
233.15318	2.1
237.16232	1.4
241.15840	1.5
242.97243	1.2
243.17424	3.9
251.14120	1.4
251.17894	1.2
269.18967	2.6
283.20401	1.4
297.22177	1.9
309.22040	1.1
311.23599	1.7
339.26724	5.5
351.23236	1.5
363.26874	4.0
381.27905	1.8
391.29770	2.6
393.31210	1.6
397.30936	1.6
403.30042	10.0
421.31000	57.1
422.31296	3.2
439.32086	100.0
440.32217	5.6
457.33148	33.8
687.37140	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	723.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
53.72922	1.9
55.01872	3.9
55.05514	10.1
57.03427	6.5
57.07064	3.9
61.02927	3.6
65.03934	3.4
67.05505	16.8
68.99792	2.7
69.03432	28.1
69.07067	10.5
71.04987	6.2
71.58679	3.6
73.02913	4.3
79.05499	13.7
81.03420	26.4
81.07054	27.4
83.04972	6.6
83.08602	4.6
85.02438	2.7
85.02909	42.2
85.06551	6.7
87.00842	13.1
89.03931	6.8
91.05486	22.2
93.07056	29.2
95.04961	7.9
95.08609	35.7
97.02885	15.4
97.06512	5.1
97.10177	3.2
99.04449	6.6
99.08080	2.7
105.01875	13.9
105.07030	22.0
107.04950	6.1
107.08603	35.7
109.02882	16.7
109.06522	5.1
109.10154	27.1
111.08080	9.0
115.05479	1.8
117.03391	8.0
117.07025	6.1
119.07911	2.6
119.08598	30.7
121.06491	6.3
121.10152	24.6
123.04435	13.5
123.08055	3.5
123.11740	11.4
125.09647	17.9
127.03922	31.3
129.07014	3.0
131.08591	14.8
133.02864	5.0
133.06456	2.8
133.10130	24.2
134.03650	4.7
135.04431	13.0
135.08052	44.7
135.11719	10.6
137.02344	3.4
137.09598	12.8
142.07809	3.8
143.08572	11.2
145.02838	8.8
145.04974	7.9
145.06412	2.3
145.10139	25.6
147.04416	3.4
147.08043	6.1
147.11699	14.2
149.09636	9.9
149.13269	5.0
151.11200	6.7
155.08545	3.5
157.10149	13.6
159.02931	4.7
159.08070	10.7
159.11710	18.0
160.05205	2.6
161.05943	2.1
161.09615	20.7
161.13261	8.2
163.03914	79.0
163.11166	5.8
163.14799	6.2
165.09126	52.4
169.10097	3.9
171.07994	3.7
171.11717	7.9
171.13824	4.7
173.09621	6.9
173.13257	15.5
175.03848	2.4
175.11160	9.0
175.14812	8.6
177.12752	2.4
177.16432	4.1
179.14426	3.0
183.11719	8.4
185.09677	11.2
185.13287	9.7
186.10329	2.1
187.11179	10.0
187.14833	12.6
189.12759	5.3
189.16370	4.4
191.03531	4.2
191.10669	2.6
191.14294	5.1
197.13202	3.5
199.11229	8.4
199.14842	7.4
201.12762	13.1
201.16396	7.2
203.10660	3.8
203.14319	76.0
203.17963	3.5
204.14619	2.4
205.12216	5.4
205.15862	7.9
209.13258	2.7
211.14789	5.0
213.03973	3.2
213.12773	4.5
213.16374	13.9
215.14313	10.4
215.17996	3.5
217.15872	12.2
219.13795	16.5
219.17322	4.9
221.05998	3.5
225.12749	2.4
225.16362	2.9
227.14441	4.9
227.17998	3.6
229.15845	7.0
231.05023	5.5
231.17418	11.8
241.15891	3.3
243.17514	5.1
251.07005	4.6
251.18112	3.2
253.16003	3.2
255.06554	4.9
255.17392	5.5
257.19086	7.0
267.06723	5.3
268.07196	10.7
269.07965	2.4
269.19016	7.7
295.06033	16.0
295.20609	3.2
309.21988	2.7
311.23715	6.6
313.07031	12.3
319.05627	2.8
321.07523	2.4
325.07455	2.6
333.22147	2.8
347.05228	4.8
351.23383	4.7
391.29962	3.7
403.29837	19.9
421.31027	100.0
422.31238	4.6
429.09436	6.8
439.32062	54.2
440.32449	3.1
457.33176	78.7
458.33557	2.5
475.10431	4.0
476.27573	9.7
625.37183	3.9
669.36139	3.6
723.15424	3.8
723.40057	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	722.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54657	1.2
53.03944	6.5
55.01876	7.6
55.05513	5.1
57.03446	7.8
57.07070	2.2
59.05025	1.1
61.02938	7.7
67.05508	8.0
68.99784	3.8
69.03432	42.9
69.07076	7.5
69.30646	3.3
69.31068	6.6
70.82252	1.0
71.01370	1.3
71.04987	4.7
73.02917	3.8
79.05495	8.2
81.02972	2.2
81.03421	27.1
81.07059	14.6
81.82880	1.0
83.04991	2.6
83.08617	5.3
83.76172	1.1
85.02908	100.0
85.06535	1.4
87.00291	2.6
87.00832	53.0
87.04472	1.3
91.03953	1.6
91.05482	11.6
92.24070	1.1
93.07053	15.9
95.04977	3.7
95.08612	24.6
97.02900	31.1
97.06548	1.9
98.21509	2.3
99.00825	1.0
99.04459	14.0
105.01871	58.4
105.07025	17.6
107.08595	27.2
109.02886	33.2
109.06528	2.6
109.10156	24.5
111.08079	1.8
115.03947	1.3
117.01890	2.6
117.07034	3.1
119.04925	1.3
119.08582	31.1
121.06558	2.6
121.10145	21.7
123.02911	1.2
123.08074	2.4
123.11726	7.3
125.09596	1.5
127.03924	72.4
128.06183	1.6
129.01854	3.0
129.06987	3.0
131.08582	10.1
133.06499	1.4
133.10135	25.9
135.08067	5.7
135.11691	10.3
137.09668	1.6
137.13289	2.5
141.07011	1.2
142.07784	1.9
143.08589	10.0
144.09267	1.3
145.04956	18.6
145.06483	1.6
145.10127	16.6
147.02939	1.6
147.04420	5.8
147.08046	7.1
147.11693	16.5
148.04767	1.2
149.02303	1.4
149.09607	2.5
149.13298	8.4
150.02747	1.3
151.11160	6.0
155.08502	6.1
156.09334	3.5
157.10129	12.4
158.07318	1.6
158.10922	3.3
159.02924	12.1
159.08044	6.7
159.11696	18.3
160.08873	1.3
161.09634	9.4
161.13222	7.4
163.03923	3.5
163.11224	3.0
163.14870	2.4
165.09154	1.2
165.12762	1.8
167.08600	2.1
168.09273	1.3
169.10112	7.0
170.10901	2.7
171.08069	3.6
171.11688	11.0
172.08827	2.8
173.09608	8.0
173.13258	13.4
175.11215	3.7
175.14806	12.6
177.12686	5.2
177.16414	7.1
181.10158	3.4
182.10947	1.5
183.11694	9.6
185.09615	4.8
185.13246	14.8
186.10509	7.0
187.11235	6.9
187.14824	12.6
188.11899	1.5
189.03970	2.5
189.12790	6.0
189.16356	7.1
193.10318	1.2
195.11668	4.8
195.13736	1.6
196.12440	1.4
197.09613	1.9
197.13217	6.6
198.10460	2.0
198.14146	1.3
199.11189	17.1
199.14764	5.3
200.11783	1.5
201.11324	1.0
201.12762	34.8
201.16454	3.0
203.14330	47.0
203.18024	2.0
205.15904	15.9
205.19514	1.8
207.17543	1.8
209.13234	3.4
211.11284	2.1
211.14774	7.4
213.04008	5.5
213.12781	5.3
213.16373	8.7
215.14346	20.2
215.17918	7.6
217.12213	2.9
217.15858	8.4
219.17505	1.3
221.13278	1.2
223.14830	3.5
223.16953	5.8
225.12825	2.3
225.16396	5.0
227.14407	4.1
227.17862	1.2
229.15924	5.3
231.05022	23.5
231.17470	15.4
233.19000	5.5
237.16475	2.2
239.14333	2.7
239.17989	2.4
241.15997	2.2
241.19598	1.6
243.17340	2.5
249.06075	8.2
249.18558	4.8
251.14201	1.3
251.17995	6.1
253.15843	1.5
253.19550	2.3
255.17520	3.1
257.19043	2.2
265.19501	2.2
267.17416	1.2
269.19016	4.2
281.19019	1.2
283.20575	1.7
305.22678	1.7
307.20767	1.3
309.21994	1.4
321.22110	1.5
323.23819	1.6
377.28326	1.4
385.28781	3.8
393.31357	2.4
394.16217	1.3
403.29996	39.2
411.32675	2.8
421.31039	74.9
422.31274	3.0
432.94894	1.1
439.32098	93.0
440.32288	4.6
487.32117	1.3
505.33328	1.4
651.35437	1.9
669.35895	1.9
682.59985	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	722.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60881	0.8
53.03937	2.7
55.01876	5.5
55.05516	10.0
57.03442	9.4
59.04993	0.9
63.54539	0.7
65.03937	0.8
67.05506	12.8
69.03419	3.2
69.07064	4.6
70.92649	1.9
71.04985	2.5
79.05493	15.8
81.03421	38.2
81.07055	14.7
83.01343	3.8
83.04633	0.6
83.04989	7.8
83.08145	0.7
83.08619	11.5
85.02905	3.9
85.06548	1.5
89.03918	1.0
91.05485	13.2
93.07039	15.3
95.04967	14.9
95.08615	6.9
97.02901	3.6
97.06505	3.6
97.10176	5.3
99.04441	1.0
105.07032	9.9
107.04958	7.6
107.08598	7.6
109.02887	2.0
109.06527	3.5
109.10165	5.4
111.04425	1.5
111.08118	3.7
117.07005	4.4
119.04926	1.3
119.08588	10.4
121.06513	3.6
121.10156	6.1
123.04450	2.7
123.08065	4.7
125.09631	4.5
129.06993	5.7
130.07805	0.7
131.08580	6.8
133.06508	2.0
133.10173	4.1
135.04382	2.1
135.08060	2.4
135.11681	5.4
137.05972	0.9
137.09607	1.6
142.07767	1.5
143.08568	1.6
145.02864	1.1
145.06465	2.0
145.10118	7.9
147.04425	1.0
147.08070	4.5
147.11652	4.4
149.05948	1.0
149.09607	2.4
153.12726	1.8
155.08549	2.0
157.06470	0.9
157.10107	4.2
159.08110	0.9
159.11679	0.8
159.59596	0.7
161.05962	2.8
161.09604	1.1
163.03922	6.3
163.11166	10.6
165.09084	1.7
165.12796	1.0
169.10120	1.1
171.08054	1.5
171.11647	0.9
173.09644	1.9
175.07591	0.9
175.11166	4.2
185.13274	0.8
187.07507	0.9
187.11125	0.7
189.09138	1.1
189.11230	1.6
191.03358	1.0
191.10600	1.8
193.12254	8.5
197.09509	0.8
203.14230	1.2
205.12245	1.7
209.11757	2.2
211.11203	1.0
211.13269	1.0
215.96861	0.7
227.12756	2.7
227.49905	0.9
229.12152	1.0
231.13786	1.9
243.13745	0.9
247.13586	0.8
249.14867	0.8
267.15942	23.1
268.07458	1.3
269.15460	1.3
271.13318	1.0
273.14963	2.0
281.12106	0.9
283.15381	19.9
289.14319	3.3
295.06168	1.1
337.21478	1.0
355.22647	2.2
365.21060	2.3
383.22150	19.7
384.22626	0.8
401.23233	7.7
419.24530	2.6
429.10516	0.9
431.24280	1.1
439.24762	2.2
457.25888	25.4
457.31766	1.0
458.26236	1.0
475.26935	100.0
476.27353	5.1
493.27963	8.8
517.28125	1.2
588.17578	0.9
722.37140	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	721.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
55.01875	4.9
55.05506	21.9
57.03423	12.4
65.03919	4.2
67.05171	4.5
67.05513	67.9
69.07076	19.4
71.04965	4.5
71.59771	3.8
73.90744	4.0
79.05495	72.6
81.03407	10.9
81.07054	56.2
83.04963	9.3
83.08618	12.3
85.07657	11.5
91.04967	4.7
91.05481	53.4
93.07043	65.7
95.04972	19.7
95.08598	42.4
97.06493	4.6
102.37344	3.4
105.04536	4.2
105.07038	34.6
107.08596	23.7
108.80733	3.9
109.06547	6.6
109.10165	14.3
117.07002	13.2
119.08569	24.2
119.29947	4.0
121.10170	20.1
121.10899	4.3
129.07014	11.4
131.08582	9.6
133.10120	10.9
134.46678	4.3
135.11650	6.8
143.08534	9.9
145.10133	9.9
147.11687	27.6
149.13327	4.7
154.12071	4.0
161.09712	5.5
161.13269	10.9
171.11702	19.2
189.12766	8.4
207.13918	19.5
222.49451	4.1
253.62105	3.8
261.22122	5.7
275.19943	4.1
281.17526	43.1
294.11853	4.7
335.25827	68.6
541.38934	100.0
542.38855	7.1
609.44824	6.4
722.11121	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	721.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.1
55.01876	4.3
55.05504	6.3
57.03426	5.7
61.02928	3.2
67.05515	16.7
67.07616	2.0
69.03434	15.8
69.07080	13.4
69.76097	9.4
69.76516	4.8
70.40501	2.1
79.05491	11.5
81.03412	23.2
81.07056	27.3
83.04972	4.2
83.08621	9.8
85.02911	34.7
87.00827	16.7
91.05501	17.8
93.07057	28.8
95.04968	5.3
95.08615	41.0
97.02878	12.5
97.06536	2.7
97.10181	6.0
99.04476	4.3
105.01874	18.8
105.07032	25.0
107.08604	42.8
109.02872	10.6
109.10159	29.8
111.08087	3.9
117.07029	4.0
119.08589	45.0
120.08976	2.7
121.10152	39.5
123.08040	2.6
123.11698	8.0
127.03921	27.3
129.07022	4.4
131.08562	10.2
133.09222	4.3
133.10141	45.7
135.08069	3.2
135.11719	17.6
137.09622	2.5
137.13161	2.3
143.08641	2.9
144.09435	2.6
145.04976	5.2
145.10133	39.8
147.11694	33.5
149.09650	3.5
149.13249	15.5
157.10146	6.0
159.02806	2.2
159.11691	42.0
161.13243	17.6
163.03868	4.8
163.11194	10.2
163.14880	19.4
165.09212	2.9
167.10782	2.7
171.11719	4.3
173.13194	10.4
175.11189	4.6
175.14848	20.1
177.16393	20.6
182.95888	2.2
187.14833	51.9
189.16385	57.4
191.18001	21.0
201.16406	21.8
203.17967	100.0
205.15880	52.4
205.19380	3.2
207.17451	9.0
213.03987	4.5
213.16460	13.2
215.17982	7.5
217.19551	3.2
219.17477	3.7
223.16936	2.7
227.17975	3.7
229.19687	2.8
231.04959	8.3
235.16972	2.5
241.19460	5.2
249.18561	17.1
267.15878	4.2
275.20041	2.9
281.17416	4.1
349.23599	2.9
370.53232	2.7
391.33597	16.4
409.34686	78.7
427.36066	4.5
435.17627	2.7
437.34183	50.2
455.35342	25.8
474.29391	9.6
541.34821	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	719.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.6
55.01867	6.0
55.05513	28.9
55.53872	2.8
57.03432	12.7
57.07047	5.6
61.02925	9.8
62.68878	2.8
65.03928	3.8
67.05171	5.7
67.05510	87.0
69.03419	13.5
69.07071	23.3
71.04984	7.3
73.02914	4.1
79.05059	5.8
79.05499	99.9
81.03396	12.5
81.07063	65.8
83.04993	18.9
83.08616	12.6
85.02905	6.1
85.06567	5.0
88.82850	3.4
91.03948	5.5
91.05486	96.5
93.07049	100.0
95.04981	24.6
95.08626	51.9
97.02885	12.2
97.06508	7.1
97.10172	6.6
98.20757	5.5
99.04433	4.3
105.04520	4.5
105.07037	89.3
107.04944	9.4
107.08606	40.2
109.06514	8.1
109.10163	15.0
111.08088	5.0
115.05486	4.1
116.42006	3.8
117.07016	25.0
119.07797	4.2
119.08590	53.5
121.06490	5.1
121.10175	22.5
123.08047	7.4
123.11661	4.5
127.03906	5.7
127.78896	3.1
128.06242	9.3
129.07007	27.0
131.08571	30.9
133.06450	3.7
133.10156	46.9
135.11699	17.5
141.07010	7.6
142.07794	4.4
143.08559	28.5
145.10130	33.6
147.11691	60.7
149.13289	9.7
155.08540	11.3
157.10168	17.1
159.11687	23.1
161.09662	5.1
161.13272	28.6
163.14780	3.6
167.08527	5.4
169.10143	14.5
171.11707	44.4
173.13280	15.2
175.14830	10.5
177.12761	3.5
180.09427	3.9
181.10088	12.9
183.11670	14.2
184.07149	3.2
185.13251	12.2
187.14871	6.6
189.12787	8.1
195.11668	7.8
197.13252	10.0
199.14835	13.0
201.12877	3.5
207.11861	4.1
207.13834	14.9
209.13213	10.2
211.14731	5.0
213.16376	5.7
223.14842	6.4
239.18010	3.8
241.19524	24.3
259.20602	50.7
279.15942	12.8
281.17462	47.2
315.23019	7.7
323.23651	3.7
333.24319	35.5
353.24759	3.4
367.07358	3.4
375.78845	3.5
419.33197	4.7
437.33829	6.3
447.32709	18.3
465.33505	12.4
483.34610	9.8
521.36115	6.3
529.38617	8.8
539.37402	92.2
557.38263	46.1
701.42230	10.9
719.38464	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	719.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.4
55.01862	8.6
55.05510	6.9
57.03431	6.6
58.37498	2.5
61.02921	8.0
67.05493	11.7
68.99786	5.0
69.03438	46.3
69.07067	10.1
70.81155	5.1
70.81496	3.8
71.04991	5.4
73.02890	3.8
78.56561	2.3
79.05496	7.2
81.03423	22.3
81.07064	23.3
81.80391	2.3
83.04975	2.5
83.08633	7.8
85.02909	100.0
87.00836	51.3
90.21405	2.0
91.05486	12.1
93.07052	19.9
95.04983	3.9
95.08615	37.7
97.02898	29.5
97.06525	2.8
97.10166	4.3
99.04454	13.2
99.08084	3.7
103.05446	4.1
105.01874	53.1
105.07037	29.2
107.08606	44.2
109.02883	27.6
109.06525	2.7
109.10149	17.0
111.08118	2.1
117.06998	5.6
119.08588	53.6
119.18354	2.1
121.10152	39.0
123.08089	3.1
123.11726	8.0
127.03928	68.2
129.01865	4.0
129.06961	2.2
130.07802	2.9
131.04971	3.8
131.08565	18.0
133.10129	34.6
135.08101	3.3
135.11717	26.5
137.05957	2.7
137.13237	2.7
143.08551	8.3
144.09314	2.6
145.04999	12.9
145.10133	36.5
146.10815	2.4
147.11684	26.3
149.09618	2.8
149.13243	15.0
151.11180	2.6
157.10149	9.8
159.02928	8.7
159.11714	28.7
160.12163	2.5
161.13248	17.4
163.11197	10.7
163.14850	10.0
164.02429	2.4
169.10172	2.4
171.11703	10.0
173.13266	20.9
175.14847	25.9
177.16406	21.8
179.14250	2.1
181.10085	2.4
183.11752	3.6
185.13297	10.8
187.14838	34.2
189.03920	2.5
189.16397	38.6
191.14313	4.2
191.17953	8.7
197.13249	4.9
199.14891	10.7
201.16388	74.1
203.14352	4.8
203.17987	20.6
205.15894	67.2
207.17480	8.8
211.14827	6.8
213.04021	3.7
213.16443	7.3
215.17961	8.8
217.15892	3.2
219.17450	6.2
221.15421	3.7
223.16934	4.2
227.18033	3.9
229.15910	3.0
229.19603	3.8
231.04971	14.8
235.17023	2.6
239.17989	3.5
241.19473	3.7
247.16957	13.9
249.06035	4.7
249.18515	5.0
389.31857	9.6
407.33118	63.3
425.34225	26.1
435.32623	36.5
441.17365	2.6
446.84097	2.3
453.33862	13.4
471.34610	6.4
706.74103	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	719.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.3
55.01860	6.0
55.05515	7.9
57.03437	6.5
62.55758	3.7
67.05505	13.5
69.03433	39.5
69.07070	16.3
71.05004	6.3
71.58836	4.1
73.02911	4.5
79.05497	12.8
81.03423	39.1
81.07063	26.6
83.08640	7.0
85.02909	61.4
87.00830	24.9
91.05477	16.3
93.02811	3.5
93.07049	32.3
95.04999	5.2
95.08604	47.2
97.02921	19.2
99.04447	8.3
105.01876	26.6
105.07036	39.3
107.08601	50.1
109.02879	32.0
109.06477	3.9
109.10159	32.3
117.07013	6.7
119.08583	75.5
120.08094	4.7
121.06506	3.6
121.10155	39.8
123.08044	4.4
123.11743	8.6
127.03925	55.6
129.06998	4.8
131.08554	24.1
133.06570	4.7
133.10124	43.9
135.08075	10.9
135.11700	31.5
137.09641	4.3
143.08560	9.5
145.04993	16.7
145.10121	48.9
147.08064	5.4
147.11699	40.5
148.07594	10.2
149.09648	6.8
149.13269	9.6
157.10097	11.7
159.02895	8.7
159.08040	5.1
159.11691	39.2
161.09625	11.5
161.13293	22.9
163.03990	4.2
163.11206	13.2
163.14822	15.6
171.11714	13.3
173.09602	4.0
173.13269	25.9
175.11182	13.5
175.14835	28.6
177.12790	4.9
177.16379	26.6
185.13304	7.7
187.14850	62.4
189.03949	4.7
189.16360	46.5
191.14272	4.9
191.17976	14.8
197.13353	5.7
199.14828	13.1
201.16385	77.3
203.14363	14.7
203.17975	30.3
205.15895	76.5
207.17540	9.7
213.16379	8.2
215.17996	11.3
217.15930	13.2
217.59698	3.7
219.17493	13.4
223.16953	9.2
225.16512	4.2
227.17902	9.2
229.15933	4.1
231.05020	14.9
247.16954	18.4
253.19499	5.0
389.32083	10.1
391.33499	5.1
397.67444	3.6
407.33212	51.9
409.34616	12.6
425.34427	21.1
427.35684	6.5
435.32889	24.7
453.28882	24.0
471.30872	100.0
472.30936	5.7
474.16565	5.8
614.08368	4.1
668.51520	4.1
719.37115	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	719.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94041	1.2
53.03944	3.0
53.65096	1.3
55.05509	6.5
57.03430	2.4
57.07069	2.9
65.03940	1.4
67.05505	9.9
68.99805	2.4
69.03443	17.6
69.07070	15.2
69.30226	1.3
70.81589	3.9
71.05002	3.4
71.32830	1.2
79.05506	7.5
81.03422	12.8
81.07061	19.8
83.04977	2.3
83.08630	6.5
85.02911	19.6
85.36111	1.2
87.00819	8.1
91.05487	12.2
93.07059	20.5
95.04990	2.7
95.08622	33.8
97.02910	9.6
97.06501	1.7
97.10143	2.1
99.04456	6.3
99.24326	1.4
105.01868	6.6
105.07049	31.9
107.08600	45.3
107.09287	3.0
109.02885	10.5
109.06606	1.6
109.10173	25.3
111.08103	2.8
117.07043	5.0
119.08591	52.2
119.09447	2.6
121.06535	1.8
121.10155	42.2
123.08082	2.8
123.11725	7.3
125.09653	1.5
127.03934	21.1
129.06978	3.1
131.07693	2.2
131.08591	20.5
133.06413	1.9
133.10141	41.5
133.11072	2.7
134.10524	1.4
135.08113	3.1
135.11694	18.6
137.09636	2.2
137.13220	2.3
142.07816	1.8
143.08588	7.6
144.09325	2.0
145.04956	3.2
145.10146	51.6
147.08128	2.2
147.11694	24.1
149.09573	2.1
149.13283	14.5
153.09253	1.5
155.08592	1.7
157.10136	8.8
158.10805	2.4
159.11693	43.8
161.09647	2.0
161.13293	19.4
163.11192	17.2
163.14851	16.3
165.09105	1.4
169.10100	1.7
171.11705	6.4
172.12570	2.4
173.13249	18.4
174.13930	2.3
175.11255	3.0
175.14841	21.9
177.12860	2.9
177.16412	24.2
179.14415	2.1
183.11732	3.3
185.13286	8.3
187.06044	6.3
187.11243	2.3
187.14835	75.8
188.15102	2.5
189.16405	49.4
189.18123	2.7
191.14265	2.0
191.17923	13.4
196.12721	1.7
197.13199	2.1
199.14893	10.2
201.16414	100.0
202.16730	3.0
203.14334	4.9
203.17958	37.9
204.18275	2.0
205.15897	63.7
205.17828	3.3
206.16263	1.7
207.17450	7.5
213.03964	9.1
213.16431	14.4
215.14360	3.0
215.17946	11.3
215.29582	1.6
217.15865	3.4
217.19403	2.7
219.17412	9.7
223.16972	10.9
225.16389	2.5
227.17979	6.2
229.15933	4.8
229.19612	1.7
231.05037	10.9
231.17511	3.8
233.18976	3.4
235.17012	2.9
241.19576	3.2
243.21172	1.5
247.17014	11.7
250.45531	1.5
257.18906	1.6
259.16867	2.1
389.32126	8.6
391.33621	3.1
407.33176	31.5
408.33582	2.4
409.34781	7.9
425.34543	10.8
427.35413	2.7
435.32693	16.1
453.33896	14.2
471.30566	10.2
619.21112	1.6
621.37158	2.0
637.36761	2.6
657.39807	3.8
665.36328	2.8
683.37549	3.4
701.38672	5.1
722.48657	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	719.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.4
55.01868	5.6
55.05521	9.9
55.61289	2.0
57.03434	6.1
57.07084	3.2
59.44804	2.3
59.96136	2.0
61.02916	6.6
65.55318	1.9
67.05512	12.8
68.99804	3.2
69.03075	2.8
69.03435	41.0
69.07077	12.7
69.65737	9.2
69.66132	4.9
71.04989	6.0
73.02912	3.6
74.44208	1.9
79.05485	11.7
81.03423	26.2
81.07063	23.0
82.51218	2.3
82.88257	2.0
83.01327	2.3
83.04993	3.0
83.08624	10.1
85.02910	100.0
87.00841	47.1
91.05492	12.8
93.07047	22.5
95.04978	5.8
95.08612	38.0
97.02902	26.8
97.06557	3.7
97.10175	2.9
99.04470	10.5
105.01180	2.9
105.01875	55.9
105.07043	26.0
106.99614	2.3
107.08599	38.6
109.02883	32.2
109.06503	2.2
109.10173	18.8
117.01893	2.1
117.07039	6.1
119.08581	49.7
121.06516	2.2
121.10154	34.3
123.08019	2.4
123.11710	8.1
127.03918	74.6
129.07008	4.7
129.90492	2.1
131.08545	19.0
133.10139	31.2
135.04375	3.2
135.08080	3.4
135.11710	16.7
137.09590	2.7
137.13313	4.0
143.08557	8.3
145.04997	14.8
145.10124	35.9
147.04320	2.5
147.11705	19.7
149.09605	3.6
149.13277	10.8
149.34207	2.5
157.10135	10.8
159.02896	5.8
159.11710	25.0
161.13284	15.7
163.11215	10.0
163.14894	11.3
169.10098	2.9
171.11674	9.1
173.13269	20.7
175.14857	27.7
175.33304	2.3
177.12715	2.2
177.16418	22.2
183.11705	5.1
185.13246	9.8
187.14828	27.1
189.16391	34.8
191.17952	5.4
197.13246	2.6
199.14746	11.2
201.16414	67.1
203.14226	2.5
203.17926	16.2
205.15880	60.6
207.17448	8.8
211.14871	4.5
213.04008	5.4
213.16373	10.2
215.14420	2.7
215.17903	8.1
219.17484	7.8
223.14761	2.6
225.12718	2.3
225.16399	2.9
227.17892	3.5
231.04950	17.0
239.18039	3.5
241.19473	4.7
243.21152	3.9
247.16917	14.1
249.06075	4.7
253.19475	3.0
258.16946	2.5
259.17050	5.2
285.18524	2.2
332.39737	2.4
347.35132	2.2
353.24753	2.4
389.32034	11.1
407.33087	59.7
408.33356	2.9
409.30875	2.9
425.34097	22.3
426.60632	2.5
435.32654	44.3
453.33594	16.4
471.34729	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	719.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
54.64671	0.3
55.01868	0.6
55.05508	1.4
57.03436	2.1
61.02930	5.3
63.91007	0.4
65.03944	0.3
67.05506	6.0
69.03436	3.8
69.07066	1.0
71.01366	0.4
71.04977	0.4
71.32398	0.6
73.02919	3.1
79.05492	4.7
81.03430	2.7
81.07063	4.7
83.04990	0.8
83.08614	0.9
85.02913	5.7
85.06544	0.4
87.04482	0.6
91.03967	3.0
91.05479	3.8
93.07051	4.0
95.04970	1.3
95.08620	2.7
97.02902	4.8
97.06525	0.7
99.04453	1.0
101.02378	1.5
101.25799	0.3
105.07038	2.6
107.04987	0.4
107.08597	1.6
108.59428	0.3
109.02859	0.8
109.10199	1.7
111.08150	0.4
111.32901	0.3
113.05985	0.3
117.07056	0.8
119.08605	1.4
121.10178	2.2
127.03934	1.5
129.07043	0.4
131.08574	0.9
133.10167	1.4
135.11703	0.8
137.09686	0.4
143.08649	0.4
145.04800	0.4
145.10147	1.0
147.11691	1.0
157.10106	0.5
161.49164	0.4
184.07324	0.4
185.04202	0.5
193.12289	0.8
234.74695	0.3
243.08479	1.5
251.12679	1.0
262.78430	0.4
307.22800	0.8
363.53046	0.4
393.50424	0.4
469.20438	2.9
474.53311	0.3
491.26138	8.7
506.65167	0.4
574.13599	0.4
719.39728	100.0
720.40149	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	719.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.01872	2.5
55.05517	4.3
57.03429	2.8
57.07065	1.0
57.59818	0.7
59.59406	0.7
61.02918	1.1
65.03941	1.1
67.05506	7.2
68.99772	1.6
69.03433	11.6
69.07065	2.8
71.04993	1.8
73.02918	2.8
79.05499	5.6
81.03423	13.8
81.07063	8.7
83.08610	2.6
85.02912	19.8
85.06517	1.0
87.00839	10.9
87.04461	0.9
91.03970	1.2
91.05476	11.3
93.07053	9.5
93.38214	0.8
95.04961	1.8
95.08611	19.7
97.02892	13.0
97.06530	2.3
99.04440	6.1
99.08116	0.9
105.01881	7.2
105.07037	17.9
107.04949	1.6
107.08600	19.8
107.45954	0.7
109.02133	0.9
109.02885	17.0
109.06538	3.1
109.10171	11.1
111.08095	3.2
114.70913	0.8
115.05447	1.0
117.01855	1.1
117.07013	3.2
119.04939	2.1
119.08581	19.9
121.06505	6.6
121.10153	11.4
123.08092	3.0
123.11701	1.6
125.09632	1.0
127.03920	18.8
128.06235	0.9
129.07008	2.3
131.08577	9.0
133.06506	3.9
133.10143	15.0
133.52184	0.9
135.08060	84.6
135.11664	4.5
136.08344	1.4
137.09624	2.6
137.13344	0.7
141.06960	1.3
142.07784	1.3
143.08583	6.6
144.09352	1.3
145.04994	4.6
145.06369	1.0
145.10130	19.5
146.07358	1.2
147.02898	1.0
147.04425	7.0
147.08073	9.1
147.11687	8.5
149.02368	2.0
149.09653	7.7
149.13271	3.1
151.07599	0.9
151.11224	1.7
153.72888	0.8
155.08531	1.5
156.09334	2.3
157.10129	8.9
158.10851	1.0
159.02925	5.3
159.08067	9.0
159.11696	11.2
161.08293	1.7
161.09625	29.4
161.13290	8.1
163.11192	4.0
163.14883	3.0
169.10124	4.1
171.08054	3.2
171.11703	8.2
173.09657	7.1
173.13269	10.3
174.10361	1.3
175.11177	10.0
175.14798	5.7
177.12801	2.2
177.16353	0.9
179.14276	1.0
181.10211	1.3
182.10982	0.8
183.11641	4.6
184.08961	1.0
185.09621	5.0
185.13240	7.6
186.10442	1.3
187.11157	3.7
187.14804	5.7
188.11957	1.2
189.12785	6.7
189.16379	3.7
191.14288	3.9
195.11790	1.2
197.13269	4.3
198.10460	0.9
199.11182	4.4
199.14854	8.1
201.12756	17.7
201.16472	4.8
203.14331	91.6
204.14738	1.5
205.15923	2.1
207.11861	0.9
209.13339	1.7
211.11179	1.4
211.14940	2.0
213.03984	2.1
213.12712	4.0
213.16379	2.4
215.14413	5.2
215.18063	1.6
217.15889	16.5
219.17461	2.0
221.13229	1.2
223.14810	1.4
225.12749	1.7
225.16458	1.7
227.14233	4.9
227.17970	1.5
229.15865	5.3
231.05045	3.4
233.15306	1.6
235.14862	1.2
237.16321	1.4
239.14444	1.7
239.17975	1.1
241.15874	3.2
243.17444	9.5
245.15306	3.7
251.18019	1.9
253.15988	2.3
253.19594	1.7
255.17566	3.1
257.19031	2.3
263.16510	1.9
265.19485	0.9
267.17474	1.7
269.15469	1.4
269.19046	4.1
271.20517	1.1
283.20340	0.9
295.17065	0.9
295.20532	1.4
307.20709	1.0
309.22012	1.1
319.20639	2.4
323.23666	1.8
337.21707	2.9
379.29877	1.4
383.22153	3.0
386.91046	0.8
389.28418	11.7
391.29779	1.1
397.30478	1.1
407.29492	34.7
408.29633	1.2
409.31033	2.6
417.28015	1.2
425.30533	47.9
426.30902	2.1
435.29071	7.5
438.56967	0.9
453.29990	22.9
454.30377	1.1
471.31073	100.0
472.31525	3.7
701.34406	1.0
719.36383	12.0
723.68304	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	717.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71177	2.6
53.03948	19.1
55.01875	16.9
55.05517	22.2
57.03430	12.5
57.07066	5.5
61.02913	9.7
65.03945	6.0
67.05508	56.4
68.99802	5.2
69.03071	4.1
69.03432	56.2
69.07069	26.2
69.78169	2.7
71.04991	11.7
71.59781	3.7
73.02918	6.9
79.05066	3.9
79.05502	55.1
80.47157	2.6
81.02976	4.9
81.03426	60.3
81.06580	3.4
81.07066	60.1
83.04987	13.7
83.08640	18.7
85.02912	100.0
85.06554	5.2
86.09666	3.4
87.00839	34.2
87.04459	3.0
91.05485	51.2
93.07051	63.1
95.04969	15.7
95.08614	51.9
97.02895	35.1
97.06522	11.6
97.10167	6.0
99.04469	15.2
105.01884	45.0
105.07039	66.0
107.04964	10.1
107.08601	53.1
109.02880	40.0
109.06506	10.0
109.10162	35.9
111.04429	4.8
111.08047	4.4
115.05418	5.0
117.07031	22.1
119.08583	76.0
121.06521	8.3
121.10150	40.0
123.04482	3.8
123.08099	7.7
123.11729	11.1
125.09649	7.2
127.03929	71.5
128.06223	6.4
129.01863	5.6
129.07016	14.4
131.08589	41.0
133.06499	3.6
133.10124	42.3
135.08095	8.5
135.11699	24.0
137.09639	2.7
141.06990	6.7
142.07797	4.7
143.08572	27.7
145.04973	20.5
145.06569	6.3
145.10127	56.5
147.02876	3.4
147.08006	3.5
147.11691	41.0
147.23492	3.1
149.09607	9.8
149.13261	16.5
151.11107	3.1
155.08583	11.2
156.09286	3.7
157.10136	29.3
159.02928	7.5
159.11690	34.7
160.12144	2.8
161.09608	9.8
161.13269	28.9
163.03934	3.5
163.11174	10.3
163.14807	15.4
169.10127	12.0
171.08009	3.4
171.11664	26.8
172.12538	2.9
173.04518	14.8
173.09683	3.3
173.11867	5.3
173.13254	33.3
175.11176	3.1
175.14828	28.4
177.12762	8.0
177.16364	15.6
179.14320	3.9
181.10129	6.3
183.11700	11.6
184.07315	6.2
184.12463	3.9
185.13292	15.0
187.11302	3.2
187.14830	46.5
189.03989	3.6
189.11313	3.7
189.12921	5.4
189.16389	12.4
191.14339	6.6
195.11699	8.4
195.13708	6.7
197.13297	11.4
198.13686	3.3
199.14848	29.3
201.16364	39.3
203.14322	7.4
203.17921	5.9
205.15891	29.5
207.11855	4.0
207.13808	10.4
209.13203	6.7
211.14880	11.4
213.03865	3.1
213.16423	25.1
215.14258	5.9
215.18001	11.4
217.15868	3.4
219.17531	3.6
223.12950	3.0
223.15030	5.3
223.16861	6.3
225.16415	9.5
227.18045	15.4
229.14380	4.1
229.19511	7.7
231.05032	16.2
231.17442	6.2
237.16487	4.6
239.18021	13.3
241.19598	6.8
245.15393	9.2
247.16986	10.2
249.06256	3.5
251.18066	5.0
253.19656	13.8
255.21022	5.5
257.19067	11.0
259.16995	5.9
261.18393	3.6
267.21155	5.3
273.18585	9.9
275.20160	27.8
281.17563	16.7
285.18494	7.7
287.20010	3.9
291.39847	3.2
299.20013	8.6
319.24231	3.2
349.23914	9.1
387.30389	12.5
389.31873	8.9
405.31631	56.7
407.33371	22.4
423.27670	4.1
423.32397	20.9
425.33704	5.0
433.31006	42.6
451.32047	42.8
469.33255	34.2
529.79572	3.3
537.35669	4.4
555.36810	24.7
616.82562	3.1
699.39935	4.3
717.42041	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	717.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
55.01873	2.4
55.05508	3.4
57.03427	1.7
57.35852	1.1
61.02934	2.1
64.00356	1.3
67.05506	6.6
68.99789	2.6
69.03436	15.3
69.07080	6.4
69.69357	7.0
71.04986	1.9
73.02971	1.7
79.05489	4.5
79.70895	1.2
80.04996	1.7
81.03425	17.6
81.07065	10.1
83.04997	1.4
83.08644	1.7
85.02908	21.4
85.06515	1.1
87.00830	10.3
91.05492	9.3
92.57194	1.1
93.05781	1.3
93.07051	13.4
94.06580	11.4
95.04955	1.6
95.08618	17.1
97.02889	8.5
97.06535	8.8
99.04440	6.7
103.05475	1.6
105.01872	4.5
105.07020	12.5
107.08605	15.0
108.08109	1.8
109.02887	13.4
109.06505	2.8
109.10175	7.1
111.04458	1.3
111.08083	3.7
113.02390	1.8
116.04980	1.9
117.07039	2.5
119.08589	19.4
120.08076	1.6
121.10165	11.7
122.06040	53.3
123.04417	1.3
123.08028	1.3
123.11760	2.4
125.09673	3.4
127.03930	28.2
128.06232	1.2
129.06975	2.5
131.08578	8.2
133.10149	10.0
134.06039	1.3
135.04427	1.5
135.11716	6.0
136.07544	1.9
136.26025	1.1
137.09622	2.6
137.13295	1.5
138.05533	1.4
140.07062	2.0
141.06976	1.3
141.31673	1.1
143.08559	4.1
144.04486	2.4
144.65173	1.3
145.05002	2.5
145.10123	13.9
146.06013	13.2
147.04405	1.6
147.11687	9.2
147.99001	1.1
148.07562	5.8
149.13298	5.0
151.11250	1.3
155.08647	2.4
157.10139	6.5
159.11717	7.8
160.24252	1.2
161.13327	6.1
161.78261	1.1
162.05522	2.0
163.03850	5.5
163.14836	5.3
164.07047	1.3
165.12787	1.6
169.10185	2.6
171.11710	6.0
172.03931	15.8
172.07704	1.7
173.04527	8.2
173.09659	1.4
173.13298	8.7
174.05525	12.4
175.14854	10.2
176.07098	8.7
177.16362	3.3
183.11771	2.3
184.12373	1.5
185.13248	3.8
187.14832	13.7
189.16418	6.1
190.05019	4.0
191.05725	2.6
191.14366	2.4
192.06560	2.4
194.09714	1.2
195.11794	2.1
197.13341	2.2
199.08797	2.2
199.12259	1.4
199.14882	7.4
201.16394	13.8
203.14302	2.4
203.17993	5.7
204.06573	23.7
205.15921	2.3
206.08148	3.2
211.08690	3.5
211.14774	2.2
212.09404	1.8
213.03984	2.2
213.16429	5.8
215.17972	4.1
217.15973	1.7
221.13321	1.3
221.15402	3.1
224.09450	2.2
225.10335	6.9
225.16367	3.2
226.07101	8.6
227.11781	16.3
227.17937	2.9
228.12387	1.3
229.15881	1.2
231.05075	5.4
231.17477	1.4
235.17072	1.8
236.09494	1.4
237.10255	3.8
237.16415	1.9
238.11142	2.3
239.11737	7.5
239.17979	3.5
241.09763	2.0
241.19574	4.4
243.11357	1.4
247.16920	2.2
249.10278	1.8
250.10933	1.7
251.11823	3.1
251.18100	2.0
253.09821	3.8
253.19586	2.7
255.11502	1.4
255.20930	1.2
259.04468	1.5
259.17154	1.3
263.08224	1.4
263.11682	2.0
265.09711	4.4
266.10764	1.3
267.11371	7.0
269.12912	15.1
271.10797	6.9
277.09833	2.4
278.10458	1.4
279.11353	2.0
283.10767	11.6
284.11496	7.9
285.12384	3.7
287.13873	27.3
295.10822	2.9
297.12405	3.5
298.13083	1.6
301.12210	6.0
302.12924	2.0
311.14304	1.4
312.14774	1.9
313.12231	2.2
314.12921	3.4
315.13727	3.0
316.14532	7.5
317.15305	2.4
321.12341	1.9
323.10251	1.8
324.11148	2.1
327.13571	2.7
328.14398	4.4
329.11511	3.7
329.15353	3.1
330.12534	2.4
330.16003	8.7
331.16806	9.4
332.17560	1.7
339.13577	1.9
341.24866	1.6
342.12421	6.9
343.13144	5.6
344.13803	2.3
344.17587	5.9
347.12463	2.8
354.16019	2.4
355.13031	2.9
356.13977	6.4
356.17844	1.9
357.14865	4.5
358.15555	11.3
365.11169	8.3
370.11630	2.5
370.15628	4.9
371.12439	2.6
372.17258	7.1
373.13892	5.6
380.13931	1.6
383.12793	4.4
384.13507	15.4
385.14090	4.6
386.14838	6.4
386.19144	1.8
387.30423	3.9
388.16434	1.8
389.32034	2.9
390.18140	7.7
390.22644	1.6
396.17325	2.2
397.14368	2.2
398.15033	17.7
399.11737	29.1
399.15906	24.2
400.12509	1.9
400.16568	44.2
401.17200	1.9
402.14407	3.6
405.31485	14.4
407.33093	7.1
412.16608	3.2
414.18088	8.6
415.18643	2.5
416.16208	3.3
417.12119	2.8
417.17279	9.9
418.17578	10.2
421.30887	2.0
423.32718	7.2
430.17447	2.4
431.14111	8.4
433.30847	6.0
440.16177	6.2
441.16690	2.2
442.17758	1.5
444.15656	2.6
451.32050	19.0
458.17157	44.9
459.17944	22.8
460.18494	6.1
469.33182	18.2
489.01727	1.6
490.19592	6.5
491.20352	4.3
581.23578	2.8
599.25043	14.2
623.24579	3.1
635.35901	1.6
641.26074	10.2
643.23975	4.4
653.37067	1.4
667.24060	7.0
685.25092	100.0
686.25317	7.2
717.26868	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	716.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46390	0.9
55.05515	11.0
56.05047	4.6
57.07085	5.1
60.04251	1.5
60.04531	19.3
67.05508	17.1
69.07076	13.5
70.06599	3.7
70.99299	2.3
71.08633	3.3
79.05495	14.5
80.49016	0.8
81.07072	16.0
82.06577	1.3
83.08630	9.8
85.10202	1.0
86.06120	1.3
91.05491	2.2
93.07047	13.6
95.04980	1.7
95.08616	15.7
95.09167	1.7
96.08136	4.0
97.06541	1.3
97.10160	4.7
100.07604	1.1
105.06957	1.0
106.60934	0.9
107.08585	8.9
109.10165	6.6
118.45901	0.9
121.10157	10.5
123.11684	1.8
135.11697	5.7
143.76773	0.9
149.13269	2.2
247.24191	2.9
252.26831	1.4
262.25299	1.2
264.26935	10.9
272.25867	6.2
282.27939	13.8
300.29218	1.4
370.51385	1.0
518.49255	5.1
536.50415	100.0
537.50751	5.1
554.51520	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	716.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75280	1.2
55.05511	1.9
57.07078	33.1
59.04990	1.0
67.05511	2.3
69.07079	6.0
70.19550	4.8
71.08636	29.4
73.06558	9.2
79.05483	1.5
81.07089	2.1
83.08623	4.1
85.10185	14.4
87.04482	11.0
89.06035	100.0
89.82454	1.2
95.08619	1.9
95.82334	1.0
97.10168	6.2
99.11730	2.2
107.07067	4.1
107.45659	1.0
111.11714	4.3
113.13262	1.7
117.09119	6.0
121.67246	1.2
125.13257	1.9
127.14850	1.9
130.08611	2.2
131.07040	2.7
133.08611	59.0
140.93379	1.1
142.41377	1.3
161.11691	2.1
175.09772	2.1
175.62119	1.0
177.11227	23.6
184.07396	2.1
197.22641	2.6
221.13887	2.2
226.98138	1.1
237.93796	1.2
241.25359	2.6
264.26898	1.4
283.17682	1.4
285.27887	5.8
329.30518	2.4
500.84531	1.3
699.52081	3.0
716.55945	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	716.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91198	1.2
53.03940	3.5
55.01865	3.3
55.05515	22.2
57.03438	18.1
57.07075	3.9
61.02917	5.5
65.03941	4.0
67.05509	58.7
69.03439	6.7
69.07069	20.6
70.77641	3.9
71.04986	4.8
73.02901	3.9
79.05497	27.9
81.03422	42.0
81.07058	63.0
83.04983	13.5
83.08620	22.4
85.02911	19.5
85.06548	3.8
86.09717	2.2
91.03966	2.9
91.05484	32.6
93.07045	22.4
95.04974	18.5
95.08609	32.7
97.02901	4.2
97.06537	5.5
97.10172	5.2
99.08091	6.1
105.07033	21.6
107.04970	4.4
107.08611	10.4
109.02818	1.4
109.06530	5.4
109.10159	10.1
111.08090	7.8
113.06009	1.8
117.07020	1.8
119.08576	17.6
121.10146	11.8
123.08059	2.5
123.11703	8.9
125.09643	1.4
127.11098	1.4
129.07034	6.6
131.08568	6.9
133.06525	2.3
133.10135	14.0
135.11682	4.8
137.09612	1.6
137.13283	2.4
142.07735	2.2
145.10146	3.7
147.08060	2.1
147.11703	13.8
149.09625	4.6
149.13274	1.9
157.10197	9.9
161.13205	3.0
163.11301	1.5
165.12784	3.4
175.11188	8.6
184.07347	6.3
193.12253	25.6
211.13315	36.1
217.19531	4.7
235.20522	5.2
249.14848	1.6
267.15948	14.0
285.16989	47.9
309.24258	83.0
310.24533	2.7
315.30368	1.6
491.26089	2.5
501.36041	9.6
519.36816	100.0
520.37018	5.1
581.61511	1.5
717.38165	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	716.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
55.01875	7.9
55.05499	11.5
57.03424	12.2
57.07059	6.1
61.02924	4.7
62.03365	2.9
67.05504	26.8
69.03434	45.6
69.06785	3.4
69.07074	35.4
71.04991	4.6
71.08643	3.9
71.58573	3.5
73.02898	3.8
79.05482	12.7
81.03426	30.6
81.07059	28.1
83.08604	11.8
85.02908	100.0
86.09701	3.7
87.00837	49.3
87.60586	3.9
91.05460	15.6
93.07034	12.1
95.04882	3.1
95.08604	28.7
97.02884	27.6
97.10169	6.1
99.04449	14.0
105.01875	50.8
105.07027	14.8
107.08590	11.8
109.02873	31.4
109.10135	22.4
117.06963	3.3
119.08547	15.6
121.10141	10.3
123.11674	8.1
125.13258	16.8
127.03917	82.6
129.07028	5.0
131.08572	7.5
133.10101	10.0
135.11681	7.6
145.04965	17.0
145.10091	8.8
147.11685	11.0
149.13252	5.7
159.02876	7.7
159.11684	11.7
161.13228	18.0
172.23860	3.4
173.11729	5.7
173.13206	6.6
175.14842	4.8
184.07326	4.8
185.13278	4.1
187.05952	5.8
197.13315	4.8
199.14777	4.7
203.14336	3.6
213.04008	5.4
213.16449	4.6
229.14288	10.7
231.05003	41.1
239.18187	3.7
243.21034	4.3
249.05960	7.2
253.19476	5.3
255.21103	5.7
257.18936	3.7
271.20523	19.8
273.22198	8.2
283.24112	6.1
289.21625	23.9
291.19547	12.0
301.25299	6.7
310.85736	4.0
313.25339	4.9
315.26672	5.8
331.26065	4.9
365.23380	7.2
379.33453	12.2
393.63660	3.2
397.34766	28.0
415.35626	20.3
433.36890	3.9
519.33160	17.9
649.54248	3.7
715.14337	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	715.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.2
67.05497	1.9
69.07046	1.2
70.01007	5.2
70.17492	1.2
79.05483	3.5
80.05002	2.4
81.07060	3.5
82.06555	1.3
85.02948	1.2
91.05495	2.6
93.07002	1.4
94.06575	1.5
95.04976	1.5
105.07039	1.7
106.06538	4.5
107.08564	1.5
108.08150	2.1
110.06032	2.9
114.83120	1.2
119.08562	1.3
120.04486	5.6
120.08093	1.6
122.06033	1.6
124.07609	10.1
132.04503	2.1
134.05997	6.3
136.07562	1.8
138.05605	2.6
144.08093	1.4
145.10117	1.8
146.06023	5.8
148.07564	3.2
150.05481	3.0
152.07045	3.2
156.08063	1.4
158.05974	1.4
158.09669	2.5
160.03943	3.1
163.03935	3.0
167.07277	3.2
168.06561	8.1
168.08049	2.4
170.09721	1.8
172.03925	3.7
172.07628	4.0
173.13408	1.2
174.09163	2.1
180.08122	1.6
181.08981	1.7
182.08394	3.4
182.09721	3.9
183.09068	2.4
184.07523	2.0
184.09897	2.1
184.11378	1.6
185.10732	2.3
186.09145	4.2
190.04997	5.6
192.08105	3.1
194.08179	1.8
194.09746	3.0
195.09111	2.6
196.07657	1.5
196.09924	2.8
197.10753	11.5
199.08722	2.6
199.12349	8.9
204.06538	5.3
207.07077	1.2
209.10727	14.6
210.09167	8.4
210.11513	4.4
211.08752	4.4
211.12267	2.6
212.09361	5.6
213.10274	5.6
220.07599	6.1
220.09686	1.6
221.06898	1.9
221.08722	1.9
221.10783	1.5
222.07866	4.7
223.08635	4.3
224.09454	4.1
225.10245	38.6
226.10988	3.3
227.11806	46.5
228.12248	2.2
235.08615	2.7
236.09280	3.1
237.06522	1.6
237.10225	30.2
238.10922	8.5
239.09607	2.1
239.11754	7.6
241.09753	10.6
241.13301	2.7
243.11282	2.9
247.08820	1.6
248.07056	3.4
249.06688	1.4
249.10133	2.6
250.07321	21.8
251.08173	2.9
251.11844	4.0
252.08937	2.2
253.07349	0.9
253.09743	21.5
253.12834	1.5
253.13329	1.4
254.10292	1.9
255.11324	2.6
259.10757	2.9
264.08945	2.6
265.09753	49.3
266.07913	1.6
266.10443	3.6
267.11301	17.5
269.12863	33.3
271.10773	32.2
278.10208	2.0
279.11285	6.2
280.09659	3.5
281.12866	1.5
282.10324	1.6
283.10794	11.9
285.12390	11.7
287.13910	72.9
288.14447	1.3
293.09222	28.5
295.07452	1.3
295.10858	3.1
297.12305	37.5
301.11856	5.7
307.10785	7.6
308.09222	4.0
311.10355	9.9
311.13385	1.8
313.11990	4.0
315.13583	1.5
316.10971	1.9
316.14368	2.7
321.12418	2.5
325.11813	19.5
327.09863	1.7
327.13348	10.4
328.14346	1.8
329.11554	3.6
330.15979	1.3
339.13373	2.8
342.12302	3.0
343.12927	8.8
343.16632	1.3
344.13943	1.9
345.10809	9.6
353.11328	23.9
354.11893	1.8
355.13000	2.4
356.13803	3.9
357.14471	1.9
365.11392	3.7
369.10861	2.8
370.15631	1.4
371.12363	14.7
379.09402	1.8
384.13303	1.6
385.14001	8.4
388.12946	1.5
390.18164	2.1
397.10306	69.7
398.10483	2.0
402.14362	2.9
403.15161	1.6
405.13477	1.4
411.12003	2.3
415.11346	9.1
417.17102	1.4
421.16537	3.7
429.12964	81.6
430.13116	2.3
431.35056	2.8
444.15170	2.0
448.14938	2.3
449.15817	8.7
460.18250	1.5
462.16907	2.1
463.17569	3.2
473.20068	1.5
477.19043	4.0
491.20801	3.0
504.17233	1.6
509.18384	5.0
511.23135	2.2
515.20239	1.5
519.19995	2.7
522.18958	2.3
533.21863	2.2
535.22998	3.8
537.21344	8.6
551.22894	2.1
552.23572	1.3
555.22595	1.4
571.25476	8.8
579.22363	3.5
593.23590	2.6
595.25641	6.7
597.23468	27.3
615.24146	2.5
621.23358	11.7
639.24530	44.9
640.24774	2.6
641.22650	6.9
665.22729	8.9
683.23474	100.0
684.23932	7.0
697.25513	1.6
715.25635	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	714.5513
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03938	1.5
53.26066	0.5
55.05514	5.8
55.18460	0.6
56.05048	3.5
57.07081	3.1
60.04538	3.3
61.02935	0.7
67.05499	10.6
68.05012	1.0
69.07079	7.1
70.06584	2.3
70.83628	1.5
71.08628	1.5
79.05126	0.7
79.05499	8.8
80.05021	3.2
81.05799	1.3
81.07063	9.1
82.06579	6.2
83.08620	4.3
85.02894	1.7
85.81439	0.6
91.05479	9.1
93.07043	8.0
94.06577	17.8
95.04969	1.3
95.07351	7.7
95.07887	0.9
95.07996	0.8
95.08602	8.4
96.08154	4.5
97.02888	0.7
97.10173	2.4
100.07530	0.7
105.07050	6.0
107.08588	4.6
108.08126	2.4
109.10155	3.2
111.11735	0.8
117.07027	0.6
119.08592	5.9
121.08883	0.9
121.10173	5.9
122.09670	1.5
133.10147	3.1
135.11671	3.6
147.11668	1.3
149.13292	1.6
154.40118	0.6
161.13255	0.8
162.60976	0.6
208.94160	0.7
233.22752	4.6
234.22176	0.7
245.20454	0.8
245.22661	4.4
250.25316	7.8
254.24710	1.8
262.25317	100.0
263.25613	1.8
272.25906	5.7
280.26389	7.4
281.74487	0.6
371.59036	0.6
442.31824	0.9
466.79492	0.6
504.48029	5.9
516.47766	28.8
517.48029	1.2
518.49298	5.3
534.48840	16.1
696.54016	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	714.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.4
55.05514	17.8
57.03441	12.5
57.07078	4.5
59.05008	2.2
61.02930	5.5
67.05511	46.6
69.03415	2.2
69.06757	1.6
69.07083	14.5
71.04992	3.2
71.08636	1.5
71.60386	1.2
79.05505	22.8
81.03435	8.4
81.07064	56.1
83.01363	6.3
83.04987	8.8
83.08627	13.7
85.02911	6.7
86.09732	1.1
91.03975	2.0
91.05489	18.4
93.07053	27.1
95.04964	5.7
95.08615	30.0
97.02916	3.4
97.06521	6.5
97.10190	4.1
99.04453	1.2
99.08126	2.4
105.07047	11.9
107.04974	5.8
107.08595	13.0
109.06524	3.9
109.10175	10.7
111.04395	1.6
111.08091	2.0
113.09641	1.5
117.07032	6.1
119.08590	9.8
121.06530	1.9
121.10152	10.8
123.07308	1.5
123.08043	7.1
123.11733	4.6
125.09636	3.9
130.07780	2.0
131.08578	1.9
133.10158	7.1
135.08095	1.9
135.11700	13.6
137.09648	2.0
137.13255	2.6
145.10158	12.6
147.08046	1.5
147.11694	4.8
149.13210	2.1
151.14799	1.5
153.12759	2.2
155.08562	1.7
161.13322	2.8
163.11208	17.5
173.09598	1.7
175.14769	1.7
181.12241	2.6
184.07317	1.8
191.10728	1.7
196.54001	1.3
209.11783	4.9
217.19525	7.6
227.12839	6.0
235.20593	11.0
240.43456	1.2
259.66241	1.2
262.25363	2.1
283.15427	100.0
284.15866	2.3
309.24268	85.0
310.24518	2.4
395.36053	1.2
499.34134	2.7
517.35297	69.9
518.35663	3.1
549.90515	1.3
628.69012	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	714.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01866	2.5
55.05518	14.9
56.01643	1.6
57.03438	11.6
61.02933	2.3
62.04890	1.3
67.05170	3.0
67.05508	44.8
69.03424	4.3
69.07085	7.5
71.04987	3.8
77.08644	1.3
79.05497	43.2
80.05792	2.0
81.03417	32.8
81.03859	2.9
81.07066	40.9
83.04980	8.2
83.08622	12.6
85.02904	11.7
85.06560	2.1
87.04494	1.4
91.05488	27.7
93.07051	42.7
94.07370	2.0
95.04980	19.9
95.08606	22.9
97.02899	1.9
97.06538	3.0
97.10169	3.3
99.08066	1.8
105.07044	21.3
107.04974	2.8
107.08620	13.7
109.06529	4.9
109.10175	10.6
110.96461	1.5
111.08085	5.4
113.05985	2.2
117.07018	5.6
119.08591	17.9
121.10168	22.8
123.08051	2.9
123.11739	4.1
125.09605	1.7
129.07018	4.2
131.08598	9.3
133.06572	1.5
133.10123	12.0
135.08029	2.4
135.11734	8.0
137.09615	3.1
137.10776	1.6
145.10147	4.8
147.08089	1.6
147.11668	10.6
149.09618	6.6
149.13217	2.7
151.11176	1.6
157.10126	9.9
159.11707	4.8
161.13303	1.8
163.11264	2.8
165.12869	1.7
173.13191	2.8
175.11168	6.2
184.07410	1.8
190.77057	1.4
193.12254	25.8
211.13316	26.5
215.17941	7.5
227.12857	2.1
233.19067	7.5
249.15311	1.4
267.15909	9.4
285.16959	38.3
307.22705	62.9
308.23013	4.2
315.31046	1.7
335.25906	2.2
391.54468	1.6
445.20444	1.8
461.79553	1.8
499.34180	6.7
507.97440	1.8
517.35266	100.0
518.35327	4.1
638.38348	1.6
714.44250	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	714.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62469	2.6
53.03942	4.6
54.52228	2.5
55.01865	4.1
55.05511	13.7
57.03444	22.2
60.95618	2.8
61.02911	7.6
65.03934	3.0
67.05172	5.3
67.05505	80.8
69.03420	3.5
69.07069	17.1
71.05001	6.2
71.49810	2.7
71.58657	3.5
79.05494	48.0
81.03419	64.9
81.07058	55.6
83.04960	9.7
83.08608	7.3
85.02905	21.5
91.03945	3.3
91.05482	86.3
93.07043	61.1
95.04982	6.6
95.08608	51.9
97.02866	2.9
97.06509	4.5
97.40224	2.7
105.07032	22.7
105.45147	2.8
107.04926	5.5
107.08601	23.4
109.06486	3.7
109.10156	31.2
112.01075	2.6
117.07001	8.1
119.08585	100.0
121.06508	5.2
121.10137	23.0
123.08042	3.9
123.11718	4.4
129.06978	4.4
131.08566	14.6
133.10121	10.9
135.11679	13.7
137.09627	49.0
143.08511	3.7
145.10161	6.7
147.08047	10.0
147.11710	7.7
149.13257	7.8
157.10172	3.5
159.11696	6.7
161.13251	5.8
163.14821	6.0
163.59547	2.9
165.09122	44.5
173.13260	4.3
174.47043	2.7
183.10133	20.8
184.07362	10.5
185.13144	2.9
187.14879	3.8
193.05038	2.8
211.13196	5.6
239.12811	17.1
243.21054	6.9
257.13864	69.2
261.22092	17.8
267.15866	3.0
285.17087	3.0
307.22650	10.8
317.24960	3.8
335.25800	85.6
336.25748	3.6
407.29288	4.7
460.43445	2.9
499.34134	16.4
517.35223	76.8
518.35236	3.5
543.01379	2.7
579.72754	3.3
714.41699	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	714.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03952	5.3
55.01865	3.0
55.05516	20.5
57.03445	16.7
57.03708	2.3
57.07074	1.9
61.02940	4.8
63.86234	0.9
65.03931	2.3
67.05510	51.1
69.03427	4.3
69.07079	10.4
69.40723	9.1
71.04984	4.6
74.00019	0.9
77.03964	1.2
79.05499	61.3
81.03427	46.7
81.03912	2.2
81.07064	51.4
83.04988	11.9
83.08626	18.9
85.02426	1.4
85.02909	24.8
85.06545	4.1
91.03978	1.5
91.05485	40.1
93.07054	55.5
95.04984	22.2
95.08614	34.0
97.02905	3.5
97.06532	5.4
97.10164	3.9
99.08105	2.6
105.04525	1.6
105.07037	26.3
107.04940	5.6
107.08607	19.8
109.06522	3.2
109.10151	12.9
111.08085	8.1
113.06031	1.9
115.05490	1.8
117.07023	5.0
119.07777	1.8
119.08588	21.6
121.09302	2.1
121.10146	29.9
123.08073	2.5
123.11714	4.5
125.09661	2.6
129.07010	7.1
131.07715	1.3
131.08591	14.6
133.06494	2.1
133.10156	15.0
135.08072	1.5
135.11699	12.4
137.09583	2.4
137.13321	1.0
142.07797	2.0
145.10164	8.4
147.08029	2.8
147.11694	16.2
149.09608	5.7
149.13272	6.8
151.11203	1.7
157.10144	9.3
159.11676	5.6
161.13269	2.0
163.11125	1.6
165.12770	3.0
173.13257	5.1
175.11180	10.1
175.14928	1.2
184.07344	1.4
187.14813	1.2
189.16402	1.2
193.12260	38.7
202.90416	1.1
205.19585	1.3
211.13312	46.9
213.16402	1.2
215.17963	14.0
233.19035	10.3
267.15958	13.7
285.16995	57.7
289.21695	1.4
307.22693	93.6
308.23056	2.0
400.08380	1.2
407.29553	1.5
425.30496	1.2
499.34164	12.1
500.33609	1.0
517.35291	100.0
518.35492	4.8
735.95215	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	712.536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75087	1.8
54.04317	1.8
55.05511	11.5
56.05024	7.9
57.07063	6.1
60.04534	13.2
61.72872	2.0
65.03931	3.7
67.05175	3.8
67.05507	64.5
69.07073	15.9
71.08621	4.7
71.59635	2.9
79.05501	21.0
80.05003	3.7
81.03404	2.2
81.07059	41.9
82.06581	31.5
82.94897	2.2
83.08619	11.4
85.02903	6.1
91.05482	30.1
93.07050	12.8
94.06580	11.0
95.04933	2.6
95.08610	31.3
96.08133	11.2
97.10165	5.7
100.29987	1.8
105.07035	17.9
106.06551	6.1
107.08584	5.9
108.08120	2.9
109.10171	18.6
115.78359	1.7
116.32383	2.0
117.07008	21.2
119.08580	12.3
120.08110	6.0
121.08906	11.6
121.10145	7.3
122.57301	2.1
123.11732	10.5
131.08582	20.1
133.10123	7.9
134.09674	6.7
135.11606	2.3
145.10144	11.7
147.11670	3.7
148.11172	2.2
159.11679	10.0
173.13170	2.5
215.17891	3.5
217.19495	4.4
231.21094	7.5
237.53069	2.0
243.21115	40.7
248.23688	3.4
254.24864	2.3
260.23758	100.0
261.22153	6.7
272.25854	17.3
278.21674	2.7
278.24792	13.5
286.58688	2.0
336.28976	7.3
347.62567	2.2
368.31525	16.1
429.24176	2.0
458.94687	2.1
502.46188	4.1
514.46130	23.4
516.47498	6.1
532.47479	24.8
694.52271	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	712.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
54.07378	0.8
55.05519	6.5
56.05022	3.1
57.07069	3.7
59.55793	0.8
60.04516	1.1
63.24216	0.8
67.05171	1.0
67.05504	12.5
68.05033	1.8
69.03404	1.1
69.07069	7.2
70.06595	1.2
70.64723	1.7
70.65119	1.6
71.08623	2.6
79.05499	11.1
80.05003	3.5
81.03400	1.5
81.05782	0.9
81.07059	14.2
82.06582	8.7
83.08604	4.0
84.29436	0.8
85.02895	2.8
91.05481	19.7
93.05795	1.4
93.07034	11.0
94.06574	25.0
95.04973	2.1
95.07353	5.8
95.08612	9.7
96.08116	2.9
97.02907	1.2
97.10165	2.9
105.07032	12.8
106.06546	3.7
107.07333	1.5
107.08597	6.4
108.08121	10.6
109.10184	4.1
111.11700	0.9
115.05470	0.9
117.07040	6.9
119.07295	1.3
119.08600	12.6
120.08086	3.0
121.10148	3.8
122.09664	6.7
123.11671	1.0
128.64230	0.9
131.08560	9.5
132.08092	2.9
133.08940	2.2
133.10135	6.9
134.09636	8.1
135.10535	1.3
135.11676	1.9
145.10130	5.2
146.09657	1.4
147.10423	3.8
147.11592	2.2
148.11240	4.2
149.13239	1.5
159.11676	2.2
161.13219	2.4
163.14758	1.3
173.13264	1.5
180.01860	0.9
198.08527	0.9
200.74115	1.2
203.17949	1.8
231.21097	9.5
232.20686	1.2
243.21056	7.8
246.22264	1.7
248.23714	8.9
260.23752	100.0
261.21805	1.2
261.24191	2.4
272.25745	2.7
278.24768	8.5
422.81195	0.9
502.46420	6.1
514.46240	9.0
516.47601	3.5
532.47229	19.7
533.47229	1.0
597.48059	1.3
627.45258	1.1
694.52032	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	712.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01873	8.2
55.05521	16.5
57.03446	14.0
57.07061	2.9
58.82992	1.9
65.03922	3.4
67.05511	61.4
69.07079	17.8
71.00234	2.8
71.00573	2.7
71.04987	4.4
72.61061	1.7
76.75707	1.7
79.05058	2.9
79.05502	46.8
81.03394	2.3
81.07062	50.3
83.04994	12.6
83.08628	6.4
84.62488	1.8
85.06547	3.9
91.05492	29.1
93.07054	53.8
95.04971	7.2
95.08620	33.1
97.06535	12.3
97.10194	4.4
105.07051	13.1
107.08605	37.8
109.10153	16.9
111.08097	3.0
117.07014	8.1
119.08606	11.6
121.06529	1.9
121.10158	19.4
123.11707	4.3
131.08595	5.3
133.10132	7.6
135.11719	43.7
145.10153	10.3
147.11720	7.1
149.13295	6.8
149.50536	1.9
153.12749	5.2
159.11694	4.0
161.13268	2.3
163.11221	5.1
163.14810	2.5
171.11679	2.1
173.13211	2.7
175.14996	2.0
181.12225	9.9
184.07352	3.6
198.48830	1.8
243.21095	3.0
253.14307	2.3
255.15968	55.5
261.22195	9.0
317.24695	5.1
321.37622	2.1
335.25836	54.8
436.56805	2.0
441.33743	2.0
515.37366	100.0
516.37799	3.5
533.37512	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	712.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01871	11.8
55.05516	9.4
57.03441	16.2
57.07061	2.3
60.08126	1.0
61.02932	7.9
65.03935	2.5
67.05506	51.8
68.05821	0.8
69.03423	2.7
69.06785	1.0
69.07079	11.8
71.05004	2.2
71.59763	1.4
71.60176	1.1
73.02910	1.3
77.03925	1.2
79.05495	60.2
81.03424	11.1
81.07060	45.7
83.01343	6.8
83.04982	2.9
83.08617	4.2
85.02911	7.1
85.06534	1.5
86.09699	1.2
91.03940	2.6
91.05482	77.6
92.85036	0.9
93.07048	54.3
95.04980	6.2
95.08609	33.8
97.02896	3.7
97.06532	3.9
97.10166	3.1
101.71461	0.8
105.04523	2.1
105.07039	15.5
107.04966	7.4
107.08598	44.7
109.06508	4.3
109.10158	15.1
111.04414	1.9
111.08077	1.6
115.05447	7.2
117.07023	53.7
118.07376	1.3
119.06113	1.4
119.07777	1.5
119.08583	17.3
121.06550	1.9
121.10144	17.2
121.52122	0.9
123.08031	1.0
123.11716	4.3
124.99983	1.6
125.09645	2.2
127.03905	1.4
131.08585	8.6
133.10114	7.5
135.08058	60.6
135.11676	10.9
137.09663	2.1
137.13257	1.7
143.07004	2.7
145.06458	1.5
145.10158	5.3
147.11673	6.5
149.13254	7.0
153.09109	3.4
159.11665	6.8
161.13260	4.6
163.07552	11.3
163.14809	3.7
165.09068	1.8
171.11641	1.0
173.13258	6.0
175.14838	1.7
177.16353	1.4
181.08601	3.3
184.07388	6.1
185.13286	1.6
187.14862	2.6
197.00595	1.0
199.09630	7.8
201.16472	1.7
215.17868	1.5
237.11282	1.4
239.12703	1.6
243.21071	7.9
255.12282	100.0
256.12668	2.7
259.20767	1.7
260.80643	1.1
261.22150	21.0
266.09283	0.9
272.52606	1.0
279.23508	1.1
299.23758	3.8
317.24567	5.5
333.24167	1.5
335.25800	83.2
336.26083	3.5
395.29422	1.6
405.27762	2.7
417.25848	1.2
423.28967	3.5
497.32504	5.1
515.33685	42.4
533.34625	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	712.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03957	5.5
55.01874	8.3
55.05260	1.6
55.05516	25.2
57.03442	18.4
57.07076	3.7
57.07337	0.7
58.74864	0.7
59.05009	1.0
61.02937	7.6
65.03930	2.2
67.05511	52.4
69.03434	3.0
69.07078	10.5
71.01351	1.1
71.05002	4.9
73.02911	2.3
77.03899	1.3
79.05499	62.9
81.03426	10.9
81.07063	54.8
83.01343	8.3
83.04987	12.6
83.08624	16.9
85.02911	9.8
85.06534	4.2
86.09706	0.8
90.18503	0.8
91.03950	2.9
91.05487	34.8
93.07053	71.1
95.04976	10.8
95.08613	32.1
95.09229	0.9
97.02913	6.1
97.06540	7.4
97.10160	5.1
98.21489	2.1
99.04450	1.8
99.08102	3.6
105.04530	1.3
105.06373	1.6
105.07036	23.1
107.04961	7.2
107.08599	30.8
109.06516	8.4
109.10162	13.5
109.30538	0.7
111.04461	2.3
111.08076	3.1
113.09628	1.3
115.05489	1.3
117.07028	13.2
119.08583	17.7
121.06545	3.9
121.10154	32.6
121.11029	1.6
123.08062	8.7
123.11688	4.3
125.06013	1.4
125.09640	4.0
127.03916	1.2
128.06252	1.0
129.05486	1.5
129.07031	2.4
130.07800	2.9
131.08585	13.3
133.10149	15.3
135.08072	2.9
135.11707	30.1
136.11995	1.0
137.09612	2.5
139.07433	1.0
139.11168	1.1
140.89861	0.8
143.08563	2.1
145.10129	21.4
147.08003	2.0
147.11678	7.7
149.09613	2.6
149.13266	10.0
151.11223	2.0
153.12767	2.3
159.11682	7.8
161.13246	1.9
163.11197	24.0
165.12819	0.9
171.11711	2.0
173.09648	2.8
173.13301	7.9
175.11258	1.0
175.14886	1.2
181.12254	2.7
184.07344	1.8
184.55594	0.7
185.13409	1.1
187.14793	2.8
189.11195	1.6
189.16510	1.3
191.10704	3.0
200.40860	0.7
205.19543	3.8
209.11732	7.4
211.13240	1.3
213.16318	1.3
215.17976	25.0
227.12796	9.2
231.17451	1.4
233.19020	21.3
251.08473	1.0
253.19406	0.9
267.15765	0.8
271.20645	2.9
283.15417	100.0
284.15701	2.3
289.21588	2.6
307.22690	94.4
308.23105	1.7
405.27902	1.0
423.28922	3.6
441.29984	1.7
459.30872	1.2
496.33990	0.8
497.32407	3.5
515.33728	62.4
516.33917	2.8
533.34381	1.6
589.67865	0.8
698.16278	0.9
712.22565	1.5
716.58325	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	712.427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32296	0.6
53.03941	2.7
55.01871	2.8
55.05513	11.4
57.03441	8.7
57.07072	2.0
61.02929	1.0
65.03931	1.7
67.05509	38.5
69.03426	1.4
69.07077	7.5
71.00330	1.7
71.04985	3.0
73.02928	1.2
79.05498	40.3
81.03419	3.0
81.07063	36.4
83.04984	2.8
83.08620	8.0
85.02901	1.4
85.06530	1.1
86.09727	1.7
91.05482	15.8
93.07050	48.6
95.04964	5.8
95.08615	37.5
95.09245	1.4
96.12432	0.7
97.02889	2.9
97.06535	3.8
97.10199	2.0
99.04446	2.2
99.08081	1.5
105.04543	1.2
105.07042	11.9
107.04971	5.5
107.08605	26.8
109.06522	1.5
109.10152	9.3
111.04449	1.4
111.08109	1.7
112.58602	0.6
113.70882	0.6
117.07041	7.5
119.08594	9.4
121.06507	4.4
121.09307	1.3
121.10156	21.5
123.08039	1.3
123.11713	2.0
125.05953	1.6
125.09601	1.0
129.07018	1.2
130.07753	1.3
131.08578	4.7
133.10124	6.7
135.08105	1.9
135.11703	36.2
137.13177	0.7
139.07518	0.9
145.10139	19.4
147.11684	2.1
149.13289	3.3
159.11725	3.2
161.13229	1.3
163.11200	38.3
173.13271	2.5
181.12257	6.5
184.07355	3.2
189.16457	1.0
201.87994	0.7
205.19537	1.0
209.11760	1.1
215.18001	8.2
227.12802	47.2
233.19029	8.6
283.15427	46.2
284.15796	1.0
289.21536	1.0
291.09201	0.8
307.22693	100.0
308.23026	2.5
484.18546	0.9
515.33710	65.4
516.34027	2.8
615.61609	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	710.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	1.3
51.83030	1.3
53.03951	6.5
55.01884	1.2
55.05517	14.4
57.07084	1.9
65.03957	2.4
67.05510	43.5
69.07072	12.1
69.40000	11.9
71.04987	2.1
73.06586	1.4
75.63921	1.3
79.05498	54.6
81.03424	4.3
81.07063	38.1
83.04979	6.7
83.08624	5.1
85.02888	1.6
85.06551	2.0
91.05482	31.6
91.06010	2.6
91.32381	1.2
93.07050	56.5
95.04974	10.8
95.08605	22.3
97.06532	2.4
97.10128	2.9
99.08143	1.7
102.94597	1.7
105.04544	1.4
105.07045	16.7
107.04954	3.5
107.08601	14.2
109.06517	3.5
109.10160	8.2
109.59303	1.3
111.05240	1.3
112.79472	1.3
115.27305	1.4
117.07025	7.4
119.08591	14.5
121.06512	1.9
121.10148	15.7
123.08093	3.2
123.11697	2.0
128.06213	1.6
129.07042	7.2
131.08574	6.7
133.10127	9.2
135.11716	5.6
143.08578	5.8
145.10129	7.4
147.11682	16.6
149.13252	2.6
159.11644	2.6
161.13271	3.6
171.11716	10.9
173.13211	1.4
179.14418	1.9
189.12741	3.6
207.13808	10.7
215.17963	4.9
233.19031	3.9
281.17453	25.6
307.22687	43.6
358.63470	1.4
370.24258	1.3
513.35797	100.0
514.36084	5.0
640.57330	1.5
721.38531	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	710.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.6
55.01878	12.2
55.05513	20.9
61.02936	9.0
65.97890	6.5
66.48975	5.2
66.85015	5.7
67.05500	28.0
69.03429	40.2
69.07063	13.1
71.05026	7.0
79.05494	22.2
81.03406	36.9
81.07044	34.2
85.02908	89.8
85.06564	10.8
87.00842	41.3
91.05484	23.0
93.07033	54.4
95.04987	9.4
95.08611	69.8
97.02914	34.5
99.04480	12.1
99.08099	14.1
99.19881	6.3
105.01885	53.0
105.07037	40.0
107.08603	73.0
109.02872	38.2
109.10155	51.4
117.06996	8.1
119.08600	59.7
121.10152	56.0
123.11724	14.8
127.03929	83.4
129.01880	9.5
131.08586	25.1
133.10132	93.7
135.08073	12.7
135.11700	29.8
142.72278	6.9
143.08577	11.4
145.04968	25.1
145.10158	38.1
147.11699	43.3
148.97478	7.2
149.13289	37.1
157.10101	7.6
159.02933	16.3
159.11713	33.8
161.13248	20.6
163.14839	14.6
165.09155	15.9
173.13301	10.4
175.14806	14.5
177.16408	21.7
185.13322	10.5
187.14827	29.3
189.16388	37.0
191.18002	10.9
201.16455	24.7
203.18039	49.1
205.15895	46.9
207.17398	10.1
209.05057	6.8
215.18108	8.2
219.17461	21.7
229.19243	6.5
231.05042	24.3
245.62994	8.1
249.06068	7.4
358.59631	7.0
386.94806	6.7
409.34613	100.0
410.34210	7.0
427.35797	89.0
626.78046	7.5
639.38452	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	709.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01877	3.1
55.05518	6.4
57.03446	1.6
57.07074	2.6
59.47340	1.1
61.02918	2.9
67.05516	8.6
67.30289	1.2
68.99801	1.8
69.03441	10.6
69.07072	7.7
71.60043	1.3
71.60455	1.6
73.02925	2.6
74.65583	1.2
79.05499	3.3
81.03423	7.6
81.07070	18.9
83.08613	6.1
85.02916	24.4
85.06566	2.2
87.00846	8.5
91.05503	3.7
93.07045	4.8
95.04964	1.9
95.08621	16.8
97.02891	6.1
97.10182	3.0
99.04449	4.4
105.01882	5.6
105.07022	2.7
107.08608	4.7
109.02893	8.8
109.10172	9.5
109.78807	1.3
111.11730	1.8
117.01837	1.3
119.08598	4.8
121.10147	3.3
123.11728	4.8
127.03925	16.7
131.00200	1.3
133.10135	2.7
135.04495	1.6
135.08060	2.1
135.11705	2.5
137.09610	7.1
137.13210	2.9
145.04970	3.8
147.11713	1.6
149.09653	8.4
149.13222	1.6
151.07578	1.8
159.02895	3.8
159.11765	1.7
161.09711	1.8
161.13231	1.3
163.11220	3.6
163.14888	1.6
165.09131	100.0
166.09425	1.9
175.11142	2.4
177.09090	3.7
179.10666	2.5
187.11316	2.2
189.09129	2.1
189.12885	1.8
190.09927	2.5
191.10696	5.6
201.12794	1.7
202.09758	1.3
203.10704	4.7
203.14397	2.7
205.12268	19.0
213.03854	1.3
217.12323	2.7
219.13820	3.0
231.04974	2.6
231.13838	3.0
245.15355	1.4
252.22081	1.3
425.34180	5.6
427.72311	1.5
443.35281	14.8
709.35846	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	707.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.1
55.01867	9.8
55.05517	34.6
57.03429	11.5
57.07080	3.8
65.03945	4.3
67.05508	100.0
69.03417	11.1
69.07075	23.6
70.44090	2.6
70.65488	9.3
71.04988	10.4
71.55792	2.2
79.05054	5.2
79.05495	75.9
81.03423	77.1
81.07060	82.4
83.04988	30.7
83.08613	22.2
84.26512	2.6
85.02908	11.9
85.06544	3.5
91.05479	59.4
93.07048	74.3
95.04994	25.9
95.08610	60.0
97.02870	14.0
97.06519	10.1
97.10171	8.0
98.20671	2.9
99.04462	6.6
99.08096	2.6
103.05460	3.4
103.67872	2.8
105.04513	4.4
105.06386	3.2
105.07040	36.3
107.04945	7.6
107.08593	38.0
109.02878	9.6
109.06521	5.6
109.10167	29.4
111.04446	16.3
111.08092	9.2
115.05464	3.0
117.07023	17.6
119.08592	33.0
121.06511	4.4
121.10136	27.3
123.08055	5.9
123.11702	11.4
127.03907	5.9
129.05440	7.7
129.07013	14.8
131.08574	29.5
133.06488	3.6
133.10146	21.2
135.08081	4.7
135.11682	19.9
136.96150	2.3
137.09673	3.4
141.06958	7.2
143.08577	8.2
145.06441	4.7
145.10121	18.5
147.08089	2.8
147.11725	18.6
149.09567	7.5
149.13242	8.0
153.06996	6.5
153.12708	5.3
155.08562	4.4
157.06493	4.7
157.10136	10.7
159.11684	9.9
161.13252	7.2
163.03905	6.4
163.11174	8.7
163.14877	3.7
165.06985	7.0
165.12785	3.6
167.08499	6.3
169.06468	6.7
171.08049	8.6
171.11685	6.7
173.06001	5.3
173.09708	2.7
173.13254	9.6
175.11203	9.6
175.14813	4.4
179.08563	4.5
181.06502	21.5
181.10068	3.0
181.12242	5.4
183.08057	8.2
185.05940	3.8
185.13336	4.3
187.07504	9.7
187.14816	2.7
189.05573	3.2
191.10695	6.8
193.10480	4.4
193.12257	23.1
195.08008	7.7
197.05988	43.6
197.09695	4.4
199.07591	22.9
199.14723	2.7
207.08058	9.6
209.05896	3.2
209.09613	8.5
211.07571	6.1
211.13293	31.3
213.05516	7.8
213.09149	5.0
215.07011	5.8
219.08006	4.7
219.11560	4.5
221.06073	3.3
221.13118	3.0
225.05554	12.9
225.09059	5.4
226.06149	4.5
227.07021	5.5
227.12773	9.4
233.09492	4.5
235.07544	5.0
237.09160	3.6
243.21089	4.4
245.09589	4.6
247.11102	3.0
261.22168	15.6
263.14294	7.9
267.15973	12.5
273.12643	5.0
277.21774	4.4
281.15274	10.9
283.15475	4.9
285.17004	14.2
291.13953	5.7
293.15408	5.0
301.14435	3.5
301.21445	4.0
309.14865	46.4
319.13245	3.8
321.14948	3.9
327.15915	26.7
327.19528	4.1
333.15070	3.8
335.16360	3.7
335.25757	28.9
337.14252	24.7
337.27307	4.8
347.16458	5.5
355.15378	6.3
369.24271	5.8
373.16391	3.6
383.18936	3.5
387.25159	3.1
393.17203	2.8
401.19443	3.1
411.18167	10.6
429.19330	9.6
479.28632	3.9
527.37683	5.4
545.38116	17.3
551.34467	3.9
569.36481	6.4
587.37189	4.9
597.35907	3.2
615.36719	3.5
643.39844	3.2
653.39801	6.1
661.40826	5.8
671.40887	6.4
689.41943	15.2
707.41083	50.4
708.41187	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	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.0
55.01873	7.0
55.05515	31.3
57.03442	18.5
57.07080	7.9
57.88584	3.5
60.06682	3.6
61.02928	5.2
63.29371	3.0
64.26607	3.4
65.03934	7.0
67.05508	80.2
69.03429	22.8
69.07066	21.7
70.93963	5.6
71.04985	15.5
73.02904	4.2
79.05500	71.6
80.21246	4.1
81.03419	97.6
81.06583	5.2
81.07060	100.0
83.04987	46.2
83.08625	28.9
85.02918	22.2
85.06546	6.0
91.04033	3.2
91.05489	64.9
93.07050	79.1
94.07365	3.8
95.04984	34.0
95.08613	57.2
97.02902	26.2
97.06522	13.0
97.10180	8.2
99.04465	7.2
105.07034	44.8
107.04934	4.6
107.08601	40.0
109.02869	12.8
109.06524	9.1
109.10158	27.0
111.04460	15.5
111.08130	18.3
117.07034	14.3
119.08588	40.9
121.06509	9.2
121.10171	32.4
123.04433	3.5
123.08044	6.3
123.11674	8.8
125.09645	4.2
127.03909	6.7
128.06232	4.6
129.05489	14.3
129.06979	11.3
131.08607	20.6
133.10143	21.1
135.11714	20.4
142.07803	7.7
143.08545	12.4
145.10129	18.6
147.08063	4.9
147.11705	24.5
149.09581	8.4
149.13278	10.6
151.24962	4.1
153.12727	7.4
155.08565	6.6
157.10164	20.9
159.11726	12.3
161.13333	7.7
163.11185	13.0
165.12721	8.5
173.13281	6.0
175.11218	9.3
176.89571	4.0
179.57289	3.7
181.12283	5.8
191.10765	6.6
193.12265	38.1
197.13263	3.8
199.07581	4.1
211.13281	66.2
220.05753	3.9
225.16562	3.9
227.12732	19.9
229.14359	6.8
243.21069	4.4
261.22189	16.5
267.15985	13.1
283.06238	10.3
283.15390	12.3
285.17017	26.2
301.07230	4.2
335.25809	49.2
337.27417	8.5
369.24268	7.6
387.25150	4.2
388.33774	3.9
429.21191	5.3
452.23639	4.3
497.30417	4.8
527.37439	11.8
545.38464	55.2
653.40723	6.4
671.41083	6.1
689.42157	18.0
707.40863	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	707.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.3
55.01887	7.9
55.05516	29.5
57.03427	13.1
57.07068	13.6
57.72248	4.0
58.61956	4.4
67.05508	83.3
69.03437	21.4
69.07078	19.9
71.01341	3.7
71.05013	7.4
71.59190	4.1
79.05502	53.9
80.64159	3.7
81.03428	100.0
81.07065	73.8
83.04986	48.3
83.08610	26.6
83.75012	3.7
85.02907	13.6
85.06557	6.2
87.04471	91.1
88.04806	9.3
91.04965	4.9
91.05496	51.0
93.07063	60.1
95.04984	30.1
95.08619	44.5
97.02898	20.9
97.06523	12.3
99.04453	8.3
99.08090	4.1
105.07028	40.0
107.04956	10.0
107.08606	34.4
109.02877	12.7
109.06532	8.3
109.10197	25.4
111.04435	17.5
111.08084	10.1
113.05978	5.3
117.07030	13.6
119.08615	35.7
121.06487	10.9
121.10168	39.0
123.11708	10.7
125.09685	5.5
127.03921	6.9
129.05524	9.3
129.06996	20.4
131.08572	26.5
133.08650	4.6
133.10115	19.5
135.08075	6.7
135.11697	9.1
143.08568	6.7
145.06488	4.8
145.10110	15.6
147.08066	6.5
147.11694	18.7
149.09619	6.4
149.13260	6.5
153.12761	10.3
157.10156	15.2
159.11723	12.3
161.13298	7.5
163.03911	6.2
163.11209	10.2
165.12798	3.9
169.10071	4.7
173.09679	4.8
173.13347	7.3
175.11154	11.9
177.16435	5.2
181.12209	8.0
191.10651	5.6
193.12257	30.4
211.13306	53.2
211.15067	6.6
226.49655	5.0
227.12764	17.1
261.22229	7.9
267.15900	21.5
283.15320	7.9
285.16980	18.3
315.22940	5.7
335.25818	23.2
337.27277	10.1
348.35547	4.2
369.24329	9.5
387.25415	5.2
429.21219	4.7
460.54532	4.1
471.34201	5.1
527.37189	14.4
545.38306	35.0
653.39685	7.4
671.40741	5.3
689.42499	20.9
707.46112	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	707.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.2
55.01866	13.5
55.05514	34.4
57.03432	13.4
57.07063	3.7
57.52555	2.9
57.87580	2.7
61.02916	3.5
65.03941	4.5
67.05166	5.7
67.05505	86.1
69.03432	25.9
69.07061	17.7
71.04983	12.9
71.59762	2.8
79.05491	67.9
81.03423	100.0
81.07059	87.8
83.04985	43.2
83.08630	27.6
85.02923	23.0
85.06569	2.8
87.04427	2.7
91.04955	5.9
91.05481	61.1
93.07042	65.9
95.04978	30.8
95.08611	61.6
97.02899	22.4
97.06538	10.8
97.10165	13.0
99.04451	8.0
105.07035	48.3
107.04974	8.2
107.08591	35.1
109.02890	17.9
109.06522	7.3
109.10162	29.9
111.04455	24.2
111.08102	15.2
117.07043	19.4
119.08595	35.5
121.06467	5.0
121.10162	26.5
123.08084	6.4
123.11707	15.6
127.03915	10.4
129.05473	13.6
129.07002	14.5
131.08574	30.2
133.06551	5.4
133.10130	25.1
135.08054	4.2
135.11696	19.8
141.06973	5.0
142.07732	3.4
143.08583	8.6
145.10147	17.1
147.08069	4.5
147.11707	25.6
149.09645	6.7
149.13271	7.2
153.12685	7.0
155.08536	6.4
157.10144	22.9
159.11691	9.0
161.09671	4.0
161.13228	5.8
163.03954	6.0
163.11203	5.5
165.07076	3.2
165.12740	8.1
169.10091	7.9
171.11682	7.4
173.13255	9.5
175.11177	15.6
181.12212	5.6
183.11745	3.8
184.07333	5.5
185.09677	2.8
185.13295	3.6
189.63364	3.0
191.10646	9.9
193.12251	48.5
199.11646	3.5
211.13277	70.4
227.12817	12.1
235.20753	2.9
249.14893	4.4
261.22208	13.1
267.16000	13.5
271.10663	3.5
283.15607	4.6
285.16977	20.3
335.25864	45.6
337.27359	9.8
351.23419	4.7
355.17621	4.0
369.24295	6.7
387.25146	3.1
429.21051	11.7
443.28094	6.4
471.34323	3.1
527.37018	13.4
545.38440	47.4
653.40405	6.0
656.06934	3.3
671.41364	6.0
689.42365	25.7
707.43292	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	707.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85726	0.5
53.03950	0.8
55.05503	2.5
57.03426	1.2
58.93253	0.5
65.03941	0.7
67.05511	4.2
69.03417	1.9
69.07072	3.0
70.22353	2.2
70.29367	0.5
79.05497	4.4
81.03426	5.0
81.07062	5.5
83.04958	0.8
83.08618	2.7
85.02908	2.9
85.06570	0.6
87.00828	1.8
87.33331	0.5
91.05479	5.2
93.07033	4.7
93.73881	0.5
95.04968	1.6
95.08051	0.9
95.08614	10.1
97.02877	1.1
97.06500	0.7
99.08105	1.3
105.01861	0.7
105.07037	4.7
107.04961	1.2
107.08608	7.3
109.02899	1.7
109.06508	1.6
109.10163	4.9
111.08124	0.7
117.07053	0.9
119.05001	0.8
119.08581	6.9
121.06483	1.8
121.10167	5.6
123.08089	1.0
123.11678	1.7
127.03917	1.5
129.07037	0.9
131.04916	0.8
131.08586	3.0
133.06512	1.0
133.10143	5.5
135.08061	100.0
135.11694	2.4
136.08395	1.1
137.09619	1.5
139.07533	0.6
143.08556	1.0
145.10123	5.9
147.08064	5.6
147.11708	3.7
149.09633	9.0
149.13257	1.6
151.11221	0.9
157.10156	2.1
159.08049	0.9
159.11684	3.9
161.09612	4.4
161.13255	1.8
163.03932	1.2
163.11217	1.8
163.14886	0.8
165.09109	4.9
171.08040	1.2
171.11684	1.4
173.09616	1.8
173.13281	2.1
175.11220	1.8
175.14833	1.8
177.12741	0.7
177.16397	1.3
183.11725	0.7
185.09656	1.0
185.13261	2.6
187.11124	1.3
187.14848	3.4
189.12746	1.3
197.13225	1.0
199.11220	1.9
199.14784	1.4
201.12798	1.8
201.16467	1.1
203.10391	0.6
203.14342	7.3
205.12367	0.6
205.15988	2.8
208.95084	0.6
213.12726	1.0
213.16458	0.6
215.14349	1.1
217.15833	2.1
219.13832	0.7
267.15964	1.8
268.16284	1.8
271.20761	0.6
311.51627	0.6
335.23672	1.4
353.11676	0.6
385.27225	0.8
405.31494	1.0
423.32547	1.6
441.33655	94.7
442.33969	3.2
459.34720	53.0
460.27948	3.0
460.35101	2.4
462.39618	0.6
581.51215	0.6
689.39056	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	707.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83185	1.4
51.89124	1.4
53.03945	5.5
55.01875	7.1
55.05503	3.5
57.03431	5.8
57.04797	1.5
61.02931	6.9
61.26165	1.3
65.36392	1.3
67.05496	4.2
68.99806	3.6
69.03432	38.4
69.07069	4.3
71.04989	5.8
73.02927	3.1
79.05502	4.6
81.03422	20.4
81.07055	8.5
82.28175	1.6
83.08614	4.5
83.48656	1.3
85.02908	100.0
85.06570	1.6
87.00835	49.2
91.05488	5.0
93.07040	9.3
95.08604	16.9
97.02901	24.3
97.06538	1.5
98.21535	2.7
99.04446	12.4
99.08102	2.6
101.02406	1.8
105.01873	61.7
105.07055	11.7
107.08590	17.9
109.02889	25.2
109.06575	1.9
109.10148	11.1
117.07043	1.6
119.08582	13.5
121.06551	1.9
121.10149	10.6
123.11694	4.0
127.03920	58.8
129.01884	2.7
129.06996	2.4
131.08580	6.6
133.06482	2.8
133.10126	12.0
135.08063	39.9
135.11684	9.2
137.09666	1.5
139.10985	1.3
143.08607	3.8
145.04953	15.7
145.10139	7.2
147.02892	2.1
147.08095	5.4
147.11720	4.4
149.09612	5.4
149.13298	4.8
151.11217	2.1
155.16359	1.7
157.10150	6.4
159.02888	6.4
159.08102	3.3
159.11679	9.9
161.09676	8.1
161.13257	4.1
163.11182	1.8
163.14880	3.9
171.11703	3.0
173.13251	7.0
175.11223	4.1
175.14842	4.7
177.12810	1.8
177.16415	2.2
183.11644	2.1
185.13322	4.7
187.11235	2.3
187.14873	4.5
189.03897	3.5
189.12796	1.9
189.16414	7.9
191.14395	3.4
191.17935	3.4
199.14844	4.7
201.12735	4.6
201.16422	3.5
203.14325	29.0
203.18176	1.9
205.15875	4.5
205.19595	1.9
213.03996	3.2
215.14458	1.9
215.18011	7.4
217.15886	19.3
219.13803	23.8
220.14386	1.6
221.15257	2.7
225.16449	1.7
229.06204	2.4
229.15892	3.7
231.05006	16.2
233.18997	2.6
241.15782	1.7
249.06006	4.8
253.19630	1.8
267.21307	1.6
283.20596	1.9
405.31494	23.0
423.32611	94.0
424.32544	2.8
441.33682	35.2
459.35013	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	706.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.8
57.07073	0.4
58.06355	0.3
58.06631	0.5
60.08166	6.2
63.33715	0.2
67.05508	0.5
68.05882	0.2
69.07097	0.2
70.64868	0.4
71.07379	3.2
73.24251	0.2
79.05492	0.4
81.03408	0.4
81.07068	0.5
83.08614	0.2
85.06516	0.2
86.09708	28.9
87.04472	1.7
91.05518	0.4
93.07037	0.4
93.44693	0.2
95.04961	0.2
95.08607	0.2
97.99715	0.2
98.98459	3.0
104.10751	2.4
105.07037	0.3
119.08652	0.2
121.10107	0.2
125.00008	20.0
126.24183	0.2
131.08626	0.2
143.01001	0.3
145.10161	0.3
184.07344	100.0
185.07713	0.9
197.10953	0.2
198.69734	0.2
205.93076	0.2
206.73717	0.2
233.19057	0.3
266.24356	0.2
293.93417	0.2
306.80658	0.2
382.02051	0.2
484.32581	0.2
543.35217	0.3
544.35504	1.3
556.54437	0.2
706.40192	5.5
707.40051	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	707.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78968	0.5
69.93150	0.6
70.33944	0.9
70.34347	1.1
71.44145	0.5
72.60703	0.4
82.99866	1.2
84.91151	0.7
97.02908	0.6
101.00888	4.1
112.89620	7.3
113.00886	1.2
114.89358	5.9
116.89146	1.4
119.01134	0.9
119.01932	13.2
127.02387	1.2
131.01915	2.7
131.71645	0.5
137.01910	0.6
137.02950	1.8
139.02367	0.5
143.01907	15.4
145.03468	7.3
147.01335	0.9
155.01904	9.9
155.03142	1.0
157.03471	4.2
161.02983	15.9
162.02911	0.6
163.04521	0.9
167.01883	6.8
169.03514	2.6
171.05074	2.1
173.02971	15.3
175.04462	1.2
179.01862	2.8
181.03510	0.7
184.04584	0.6
184.24915	0.5
185.02971	35.0
186.03186	0.8
187.04543	3.0
191.03970	0.9
197.02972	13.6
199.04393	0.6
203.03979	8.7
208.04518	0.6
209.03015	1.3
215.04010	7.4
221.05154	3.4
227.04015	7.3
233.04976	0.7
239.06120	2.2
245.05095	100.0
246.05281	3.2
257.05118	5.7
263.06149	16.6
264.06662	0.5
266.75363	0.7
275.06137	22.3
276.06204	1.1
284.06653	0.6
284.56567	0.7
286.07834	1.0
293.07111	2.7
305.03662	0.6
305.07169	12.6
335.08234	3.7
347.08270	1.4
360.93933	0.6
365.09335	45.4
366.09531	2.0
381.08334	0.5
383.10419	4.0
407.10492	0.7
425.11435	42.1
426.11624	2.6
437.11404	2.6
455.12598	2.5
545.13464	1.2
707.19049	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	706.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
54.01117	0.5
55.01864	1.7
55.05513	4.4
56.05040	0.6
57.03435	1.3
59.32843	0.5
61.02929	0.8
62.06086	0.9
65.03952	0.7
67.05503	5.8
67.71347	0.5
69.03426	6.0
69.07070	9.2
69.69832	1.1
69.70238	2.2
70.06593	3.3
70.95320	0.6
71.04985	1.6
71.07388	0.7
72.08159	4.3
73.02923	1.8
76.53819	0.5
79.05492	6.2
81.03424	6.6
81.05801	1.6
81.07064	8.7
82.06585	1.5
83.04996	1.7
83.08607	1.1
84.04510	0.7
84.08159	1.8
85.02910	5.9
85.06524	1.3
86.06072	46.7
87.00823	2.1
91.05488	8.6
93.07047	2.6
94.06563	1.7
95.04982	2.6
95.08617	3.9
96.08134	17.6
96.08759	0.9
97.02892	3.5
97.06529	4.4
98.06067	2.4
98.09697	13.1
98.20806	1.0
99.04474	3.4
99.08086	1.4
101.34763	0.8
105.01873	1.4
105.07041	4.2
107.04948	1.0
107.08602	1.6
108.08128	4.0
109.02879	4.6
109.06526	2.3
109.10178	1.3
110.09675	1.3
111.04457	0.7
112.07644	1.7
113.06039	1.1
114.09187	2.2
115.07579	3.6
116.10737	86.8
117.11035	0.9
119.04943	1.4
119.08579	6.4
121.02847	0.8
121.10141	1.5
122.09678	1.5
123.04397	0.7
123.08069	1.1
123.11707	0.8
124.07597	4.8
125.06000	0.8
126.09158	1.6
127.03918	5.2
129.06998	3.5
131.08582	1.5
133.10132	4.3
134.09676	0.8
135.08131	0.6
135.11652	0.6
136.07567	1.1
138.09151	1.3
140.10716	2.2
142.08644	26.7
145.02800	1.0
145.04988	1.0
147.04459	3.9
147.08044	0.6
147.11690	11.7
148.11176	1.0
149.09648	2.1
152.10724	0.8
154.08659	3.2
154.12181	0.7
157.10135	6.7
157.77649	0.6
158.11765	2.8
159.02866	1.0
163.03922	1.1
165.12723	1.4
175.11212	9.0
182.04932	2.9
193.12271	5.4
194.15466	0.8
212.16479	14.4
229.14322	2.2
230.17551	8.3
231.04918	0.7
236.16475	0.8
248.09662	1.4
254.17551	1.3
255.15929	0.9
266.10696	2.0
272.18405	0.6
308.22186	12.6
326.23273	57.4
327.23569	2.4
344.24326	100.0
345.24744	3.2
364.15985	1.0
422.29001	2.9
440.30112	8.4
458.31149	11.2
459.31622	0.7
478.22897	1.4
530.29938	1.3
533.98401	0.7
548.30426	2.6
574.19513	2.9
574.28479	6.2
592.29749	20.2
593.29889	1.2
644.36011	0.8
688.35162	2.6
706.36566	1.6
713.31403	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	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.3
53.03951	16.5
55.01870	16.4
55.05513	36.7
57.03438	15.2
57.07056	2.3
60.68943	2.0
61.02917	2.4
65.03925	7.1
67.05170	4.3
67.05513	71.6
69.03436	27.5
69.07077	18.7
70.76300	4.6
70.76670	4.6
71.04996	15.4
76.74816	2.2
79.05499	51.5
81.03421	100.0
81.07063	67.3
82.54684	2.4
83.04985	33.5
83.08623	21.4
85.02889	11.3
85.06558	4.8
86.09690	2.7
91.05490	47.3
93.07055	63.4
94.67891	2.2
95.04973	18.4
95.08031	3.9
95.08614	44.4
97.02892	29.6
97.06547	11.6
97.10166	15.7
99.04467	12.5
99.08121	2.6
105.07042	33.8
107.04961	9.6
107.08607	40.2
109.02895	20.6
109.06516	7.7
109.10159	25.4
111.04453	30.5
111.08076	10.5
111.08789	2.3
115.05478	2.6
117.07007	23.3
119.08590	34.5
121.06516	4.0
121.10158	23.3
123.04438	2.6
123.08033	3.5
123.11708	4.9
125.00034	2.9
125.06005	2.6
125.09631	15.1
127.03924	20.4
128.06233	4.6
129.05504	3.9
129.06999	10.4
130.07805	2.4
131.08586	27.1
133.10143	16.9
135.04398	2.1
135.08081	4.1
135.11705	24.9
137.09544	2.1
141.07042	3.6
142.07854	2.5
143.08603	13.0
145.06459	3.4
145.10146	29.8
147.08046	4.8
147.11696	19.5
149.09589	4.0
149.13283	5.3
149.94995	2.2
153.08890	2.2
153.12733	15.5
155.08585	7.0
157.10136	10.8
159.08064	4.6
159.11720	21.8
161.09659	4.4
161.13257	9.4
163.11194	24.5
163.14832	2.8
165.12718	2.5
167.08536	3.0
169.10126	7.5
171.08017	3.3
171.11719	9.0
173.04474	33.3
173.09613	6.0
173.13237	10.3
175.11124	4.0
179.08412	2.6
181.12239	17.2
183.11699	8.1
184.07350	7.0
185.09602	2.9
185.13223	7.3
187.14836	5.4
189.11217	10.5
191.10724	13.1
191.12131	2.5
193.12178	4.8
195.11726	3.8
197.13222	4.4
199.14845	5.6
209.11728	6.2
211.13231	5.3
211.15028	2.4
217.10648	2.4
217.15849	2.4
219.04979	2.4
227.12776	55.2
237.16373	2.5
243.21033	2.8
259.20630	3.7
261.22162	8.7
277.21689	3.1
283.15417	18.9
297.22122	2.8
299.23734	13.2
301.16470	4.0
301.21600	2.8
315.23178	4.4
317.24854	4.0
319.22604	2.4
335.25861	25.4
353.15894	6.5
369.24304	7.0
387.25168	4.1
423.32492	2.7
427.19470	11.1
433.31195	5.1
443.27811	2.4
451.31985	6.2
469.33206	7.1
487.33981	2.6
515.37042	4.6
519.91083	2.4
525.35669	15.7
526.35492	2.7
536.82178	2.8
543.36841	66.3
544.37311	3.3
561.37848	9.1
669.39838	5.6
687.30701	2.7
687.41040	19.0
705.42407	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.2
55.01867	11.5
55.05517	46.9
57.02358	2.4
57.03445	14.6
57.07069	6.5
61.02908	3.1
65.03931	7.8
67.05511	90.5
67.11726	2.0
69.03136	2.4
69.03439	30.9
69.07075	25.2
71.01320	2.9
71.05016	13.4
73.02901	2.6
74.85239	2.8
76.00751	2.3
79.05064	3.6
79.05502	60.4
81.03423	100.0
81.07065	76.5
83.01339	4.1
83.04987	33.3
83.08636	23.1
85.02902	18.2
85.06538	4.5
86.50721	2.7
87.92598	2.6
91.05486	50.5
93.07055	69.6
95.05003	14.6
95.08610	55.2
97.02907	30.5
97.06519	10.2
97.10181	24.8
99.04449	15.5
103.05474	3.5
105.07039	40.2
107.04949	8.6
107.08607	45.8
109.02885	25.7
109.06524	6.2
109.10168	28.0
111.04448	29.9
111.08076	10.3
115.05455	2.7
117.07034	23.3
119.04958	4.5
119.08591	36.0
121.06554	3.8
121.10151	33.2
123.08091	7.3
123.11719	6.5
125.06029	3.2
125.09635	17.1
127.03913	22.5
128.06212	3.6
129.05470	4.4
129.06999	10.6
130.07773	3.2
131.08571	33.3
133.10129	25.5
135.04367	2.5
135.08098	5.6
135.11707	29.8
139.11256	3.7
141.06978	3.2
143.08560	12.0
145.10136	32.4
147.04437	9.6
147.08157	3.4
147.11720	17.2
149.09607	3.2
149.13287	6.7
153.12747	22.9
155.08537	10.6
157.10150	11.0
159.07976	4.5
159.11697	15.7
161.09576	4.2
161.13268	9.7
161.23396	2.4
163.03886	6.2
163.11205	24.5
163.14897	2.7
167.08577	3.2
169.10114	6.9
171.08116	5.4
171.11700	9.5
173.04486	28.8
173.09625	7.1
173.13263	15.0
175.11198	3.3
175.14908	2.9
177.16438	2.9
181.10120	3.6
181.12247	23.6
183.08139	3.1
183.11693	7.0
184.07359	12.8
185.13211	8.8
187.11163	3.8
187.14877	6.2
189.11226	10.4
189.12788	3.7
191.10677	16.1
193.12247	3.8
195.11763	4.5
197.13187	4.5
199.14867	4.2
209.11717	9.0
209.13451	3.2
223.14769	2.9
227.12764	52.4
229.51556	2.7
235.20755	2.7
238.64478	2.6
245.13776	2.6
259.20447	3.6
261.22174	11.5
277.21588	3.8
283.15381	18.6
285.22217	3.3
299.23715	6.7
301.16455	5.7
315.23434	4.5
317.24573	3.2
335.25830	42.3
336.25998	4.2
339.23154	3.0
351.22864	3.4
353.16037	6.2
369.24323	5.0
427.19632	5.1
433.31021	4.3
451.31946	8.1
461.28546	3.5
469.32922	3.7
515.37323	6.1
525.35822	15.8
543.36896	57.9
561.37842	7.6
669.39685	5.7
687.40833	19.5
705.41815	31.5
708.80206	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	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.3
55.01877	14.4
55.05513	32.8
57.03437	13.0
57.07067	2.9
59.04998	2.4
61.02938	2.3
62.86699	1.8
65.03947	6.2
67.05511	73.4
67.20795	1.9
69.03439	29.8
69.07077	19.6
69.54332	14.3
69.69710	1.9
69.80990	2.1
71.04993	15.8
73.02914	3.0
74.25383	1.7
79.05058	3.5
79.05497	59.4
81.03425	100.0
81.07063	66.2
83.04986	31.8
83.08624	19.3
85.02906	13.3
85.06499	3.4
86.09716	2.3
87.04467	2.1
91.05485	43.4
92.05804	2.1
93.07053	64.8
95.04966	16.0
95.08611	49.7
97.02905	27.9
97.06521	8.5
97.10162	14.2
99.04457	13.4
103.05458	2.6
105.06371	3.8
105.07040	40.6
107.04964	10.6
107.08597	34.7
109.02876	24.5
109.06524	7.1
109.10151	24.1
111.04452	29.6
111.08104	12.5
115.05462	3.9
117.07020	19.1
119.04913	2.2
119.08590	29.5
121.06535	5.5
121.10147	26.7
123.08111	3.6
123.11718	8.2
125.09637	11.0
127.03919	21.3
129.05487	3.4
129.07027	11.0
131.08572	26.2
133.10124	24.1
135.08058	5.6
135.11696	26.8
137.09653	2.9
141.06982	4.0
143.08592	10.4
145.06471	3.4
145.10118	26.8
147.08093	4.2
147.11716	13.0
149.09608	4.7
149.13286	7.1
151.11102	2.4
153.12753	18.7
155.08580	6.7
157.10135	10.6
159.08092	3.9
159.11678	15.4
161.09659	4.1
161.13269	9.0
163.11174	22.8
167.08568	3.1
169.10139	4.2
171.08006	2.6
171.11745	6.0
173.04480	32.0
173.05878	3.9
173.09677	5.4
173.13252	7.1
175.14696	2.8
181.10146	3.3
181.12253	20.5
183.11705	6.5
185.09648	2.0
185.13312	6.0
187.14720	2.1
189.09300	1.9
189.11247	7.9
191.10678	22.5
193.12267	3.0
195.11723	3.5
197.13304	5.0
199.11221	3.0
199.14786	4.0
201.20187	2.0
209.09958	1.9
209.11536	9.9
209.13412	4.4
211.13210	2.6
211.14946	2.6
213.16475	2.3
227.12790	46.0
227.14912	3.5
237.16551	2.0
243.21106	3.6
259.20660	2.9
261.22147	7.0
283.15439	18.3
299.23669	4.3
301.16519	4.8
301.21677	4.9
315.23181	2.2
317.24850	4.5
335.25876	35.6
351.23129	2.8
353.16031	6.6
357.24280	3.9
369.24185	6.9
387.25388	2.4
427.19650	8.0
433.30768	2.4
451.32016	3.1
469.33160	4.7
487.33331	2.2
515.37335	4.7
525.35754	13.8
543.36835	50.1
544.36627	2.5
561.37738	8.2
669.40173	3.6
687.40961	17.2
705.42017	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.6
55.01862	12.0
55.05520	36.1
57.03439	13.1
57.07075	5.0
61.02935	3.3
65.03957	3.2
67.05509	74.2
69.03436	28.9
69.07076	17.8
71.04990	14.2
71.58938	2.0
71.59296	2.3
79.05057	3.9
79.05495	57.3
81.03422	100.0
81.07061	62.9
81.98640	2.4
83.04991	30.8
83.08614	14.7
84.29430	2.3
85.02902	11.8
85.06593	2.2
91.05485	45.3
93.07050	52.5
95.04980	14.9
95.08614	39.9
97.02892	27.8
97.06536	8.7
97.10180	17.7
99.04475	13.1
103.05427	2.5
105.07041	39.1
107.04959	9.9
107.08598	34.5
109.02870	21.6
109.06526	7.3
109.10168	23.6
111.04447	22.7
111.08096	7.3
115.05457	3.2
117.07024	21.0
119.08598	30.6
121.06526	6.6
121.10134	25.8
123.08106	6.1
123.11715	6.0
125.05986	2.9
125.09636	13.1
127.03926	14.0
128.06206	4.5
129.05472	6.1
129.07002	8.6
131.08588	28.3
133.06487	3.8
133.10165	17.8
135.08086	5.2
135.11716	21.2
137.09636	4.9
141.07004	5.1
143.08577	14.3
145.06453	3.4
145.10129	23.9
147.08093	3.3
147.11674	12.5
149.09648	6.1
149.13278	6.0
153.12730	19.3
155.08577	9.3
157.10162	10.9
159.11658	15.2
161.09615	3.3
161.13257	6.6
163.03867	6.8
163.11197	22.4
163.14824	3.5
169.10168	5.3
171.07999	3.4
171.11685	6.0
173.04465	33.9
173.09657	4.4
173.13286	8.8
175.11250	2.8
175.14847	2.7
181.10130	3.1
181.12260	17.5
183.11723	4.6
185.13243	6.3
187.14803	2.6
189.11218	6.6
191.10728	17.2
193.12221	4.8
195.11792	4.0
197.01610	2.5
197.09616	2.7
197.13318	3.6
199.14865	2.8
209.11690	2.9
211.13141	2.6
213.12845	3.2
227.12784	48.0
239.14346	2.4
255.21390	2.2
259.20758	5.7
261.22195	9.6
283.15347	17.2
283.20560	2.4
299.23868	5.2
301.16373	4.7
301.21640	3.1
317.24777	3.7
327.23352	4.1
333.24384	2.7
335.25830	19.5
341.24750	2.9
353.16006	4.7
369.24377	7.2
383.74112	2.3
387.25363	4.3
427.19693	12.0
433.30759	3.1
443.27930	2.5
451.32111	6.5
469.33218	5.4
487.34158	3.1
501.35651	2.7
514.92261	2.4
515.37335	4.6
525.36200	12.2
527.38129	2.6
543.36810	52.8
561.37616	6.2
585.37128	3.3
631.38666	2.8
651.38251	3.0
669.40088	6.3
687.40753	16.9
705.42114	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	705.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01867	4.1
55.05511	8.7
57.03441	2.3
57.07063	2.2
61.02916	2.6
63.14862	1.4
65.03951	2.5
67.05496	11.2
68.99774	2.4
69.03430	23.8
69.07063	7.3
69.35905	1.2
70.53651	1.3
71.04986	2.6
71.59034	3.0
73.02915	2.4
75.94926	1.3
79.05491	7.8
81.03423	14.6
81.07056	19.8
83.04971	5.8
83.08614	5.5
85.02415	2.6
85.02905	38.2
87.00827	12.8
87.43919	1.4
91.05499	11.7
93.07043	25.7
95.04982	4.6
95.08611	24.4
97.02885	9.6
97.06505	1.5
97.10197	1.5
99.04436	5.1
99.08079	1.6
105.01870	13.2
105.07030	20.7
107.04991	1.3
107.08591	31.2
109.02871	11.1
109.06525	4.3
109.10164	15.0
111.04456	2.2
111.08099	6.4
117.01888	1.4
117.07020	3.2
119.08578	26.0
121.06499	4.6
121.10155	18.1
123.08054	4.3
123.11708	8.4
125.09621	7.9
127.03915	28.5
129.01805	2.0
129.07016	4.6
131.08569	13.4
133.06526	1.6
133.10136	20.4
135.08066	16.7
135.11649	8.7
137.09618	9.8
137.13277	1.9
139.04773	1.4
142.07735	1.8
143.08574	8.9
144.09286	1.4
145.04973	4.8
145.06436	1.5
145.10109	18.4
147.08006	6.9
147.11707	14.2
149.09605	4.1
149.13255	4.3
151.11195	3.2
152.61842	1.3
155.08540	1.6
156.09335	3.0
157.10156	12.9
159.02834	1.8
159.08067	13.3
159.11674	12.3
161.09619	19.5
161.13242	7.7
163.03883	3.7
163.11122	2.0
163.14851	4.4
165.09146	4.9
165.12804	1.6
169.10121	5.9
170.07259	1.4
171.08087	5.9
171.11703	10.1
173.09601	9.5
173.13223	9.6
175.11171	7.1
175.14842	8.4
177.12756	3.3
177.16331	2.4
179.14485	1.3
181.10236	1.6
183.11705	6.8
185.09645	12.5
185.13257	6.8
186.10373	1.8
187.11188	11.6
187.14841	9.9
189.12820	6.3
189.16444	3.3
191.14299	3.5
195.11732	2.2
197.09496	1.6
197.13271	5.9
198.10387	1.7
199.11186	5.8
199.14853	3.9
201.12737	14.3
201.16350	6.6
203.12413	3.0
203.14320	56.3
203.17793	2.7
205.15891	6.1
209.13330	2.3
211.11278	1.4
211.14801	4.1
213.03815	1.8
213.12720	6.0
213.16408	5.5
215.14322	7.2
215.17995	3.4
217.15842	8.6
219.17500	5.5
223.14877	2.8
225.12823	3.3
225.16319	1.7
227.14369	4.0
227.17905	3.3
229.15860	11.3
231.05023	8.2
231.17386	10.1
233.13251	1.7
233.19200	1.4
237.16397	2.7
239.14380	3.2
239.17937	2.6
241.15927	4.7
243.17352	7.0
251.17931	3.1
253.15985	3.9
253.19574	2.0
255.17445	6.8
257.19025	14.7
267.17426	2.2
269.19031	5.4
270.67734	1.6
283.20551	3.6
293.19247	1.9
295.20575	1.9
297.22070	1.8
309.22171	3.9
311.23685	4.5
323.23734	2.5
351.23093	3.9
363.26828	4.2
391.29877	2.0
393.31418	2.0
403.29965	15.6
421.31012	100.0
422.31454	4.3
439.32001	26.1
457.33139	46.6
458.33575	2.6
543.37018	2.5
687.37579	1.8
705.27026	1.8
705.37964	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	705.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01876	3.6
55.05512	8.5
57.03429	3.3
63.35729	1.9
65.03956	3.4
67.05504	10.5
68.99797	2.5
69.03427	23.7
69.07067	5.7
69.36848	1.7
69.40419	2.0
71.04993	2.5
73.02924	2.2
79.05488	9.9
81.03419	14.9
81.07065	22.5
83.04984	4.6
83.08613	6.6
84.41706	2.0
85.02912	35.0
87.00845	13.3
91.05488	12.0
93.07048	29.4
95.05015	2.4
95.08609	23.8
97.02895	10.7
97.06551	4.4
99.04463	6.4
105.01867	7.3
105.07036	24.0
107.08595	32.6
109.02887	12.7
109.06504	4.9
109.10201	16.5
111.08084	6.3
111.22652	1.9
117.01813	2.4
117.07018	7.3
119.08605	29.6
121.06518	6.5
121.10168	20.0
123.08081	4.1
123.11716	8.5
125.09641	9.7
127.03924	22.6
129.07018	4.7
131.08585	12.6
133.06490	2.2
133.10159	22.4
135.08051	38.0
135.11699	7.6
137.09586	7.2
142.07895	2.4
143.08606	10.2
145.04996	6.9
145.10136	21.6
147.08105	11.6
147.11719	11.8
149.09624	8.0
149.13310	3.9
151.11186	2.2
153.42038	2.0
155.08548	5.1
156.09294	3.6
157.10139	15.7
159.02896	4.1
159.08054	13.5
159.11708	12.8
161.09659	28.1
161.13248	10.3
163.14818	6.0
165.09114	5.7
167.08569	2.3
169.10133	5.7
171.08057	5.5
171.11711	9.9
173.09662	12.1
173.13266	11.8
175.11201	9.1
175.14847	10.7
177.12790	3.5
177.16425	5.9
183.11690	8.9
185.09653	12.0
185.13272	8.2
187.05965	2.8
187.11227	8.7
187.14854	11.1
189.12743	7.0
189.16428	5.6
197.13251	5.8
199.11214	6.2
199.14828	6.5
201.12724	16.7
201.16476	7.2
203.14328	96.9
203.18044	3.1
205.15952	8.3
211.11137	3.0
211.14809	6.1
213.04021	3.4
213.12740	8.0
213.16438	10.0
215.14317	9.0
215.17937	2.6
217.15912	15.7
219.17479	3.5
219.24586	2.1
223.14888	2.9
225.16428	3.0
227.14372	5.8
227.17781	2.3
229.15897	8.9
231.05089	4.7
231.17490	14.8
233.19159	2.3
241.15849	3.2
243.17488	10.5
251.17947	3.6
253.15849	3.7
253.19524	3.4
255.17424	4.9
257.19006	7.8
264.14777	2.3
265.19409	2.5
269.19043	5.6
309.22208	3.1
311.23734	5.6
351.23080	3.9
391.29837	3.7
403.30017	23.3
421.31046	84.4
422.31525	2.9
439.32071	46.3
457.33167	100.0
458.33511	2.2
543.35327	2.4
625.37512	3.3
669.36462	3.9
705.38495	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	705.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74662	1.0
69.93340	3.8
69.93759	1.8
70.70222	0.9
73.24026	1.0
85.02905	1.6
98.97582	3.1
112.89598	1.5
116.98650	1.3
124.49594	1.2
139.03322	1.2
170.99716	1.3
177.00696	1.4
189.00784	1.9
191.03857	1.2
198.51445	1.2
200.04588	1.6
219.01730	1.6
245.05139	1.7
263.02274	1.2
281.07144	3.3
362.09741	2.2
362.60071	1.7
363.09866	2.0
423.08350	3.7
525.12170	2.0
534.44427	1.3
543.13239	33.4
544.13049	1.3
560.19946	1.2
705.18500	100.0
706.18634	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	705.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
55.01864	5.7
55.05511	9.6
57.03421	5.1
61.02920	5.1
67.05518	12.6
68.99763	2.2
69.03077	2.4
69.03435	37.0
69.07076	9.1
69.61209	12.7
71.04988	2.6
73.02894	2.1
79.05494	9.7
81.03422	23.8
81.07064	20.3
83.04969	2.2
83.08621	4.3
85.02911	60.6
87.00836	28.9
91.05492	10.6
93.07055	21.2
95.04944	4.4
95.08041	2.6
95.08613	29.6
97.02905	15.7
97.06535	3.9
97.10168	2.2
97.55054	1.8
99.04454	10.6
99.05006	1.8
103.03907	3.0
105.01876	23.0
105.06347	1.6
105.07027	28.9
107.08601	34.7
109.02882	19.1
109.06516	6.0
109.10174	21.3
111.08052	3.6
117.07024	3.8
119.07793	2.6
119.08592	33.8
121.06499	6.4
121.10154	20.5
123.08025	4.9
123.11741	4.1
125.09624	6.6
127.03925	46.0
128.06258	2.2
129.01825	2.3
129.07011	5.6
130.07762	2.0
130.38538	1.7
131.08575	16.4
133.06490	5.5
133.10147	22.1
135.07259	1.8
135.08080	19.7
135.11684	10.0
137.09619	5.9
143.08580	15.1
145.04947	11.6
145.06458	2.4
145.10126	26.7
147.04413	4.1
147.08069	9.1
147.11673	14.0
149.09627	5.3
149.13222	3.1
151.11140	2.1
155.08568	6.1
156.09334	2.3
157.10147	16.9
159.02907	6.1
159.08072	17.3
159.11670	14.8
161.09637	19.5
161.13255	10.0
163.03989	2.8
163.11221	3.7
163.14813	5.6
165.09114	3.8
169.10095	9.2
170.10898	1.7
171.08041	5.7
171.11722	13.9
173.04364	1.6
173.09669	13.8
173.13295	15.1
175.11208	10.9
175.14761	8.9
177.12790	3.8
183.08057	1.8
183.11685	10.3
185.09555	8.2
185.13329	10.3
186.10545	1.9
187.11195	8.6
187.14821	21.3
189.03975	2.6
189.12761	6.5
189.16403	7.0
191.14346	5.2
195.11729	2.4
197.13255	5.1
199.11127	5.4
199.14801	6.5
201.12720	11.3
201.16391	9.3
203.14333	51.7
203.17873	2.7
205.15872	4.7
209.13208	2.7
211.11250	1.7
211.14810	4.2
213.03859	3.8
213.12770	5.1
213.16394	11.7
215.14326	7.4
215.17865	3.4
217.15880	16.3
219.13948	2.5
221.15417	2.9
223.11296	2.9
223.14941	2.6
225.12811	1.8
225.16374	6.5
227.14388	3.1
227.17937	6.7
229.15904	9.6
231.05042	9.8
231.17426	7.9
233.18977	2.1
237.16344	2.0
239.14348	2.1
241.15862	3.7
241.19461	3.4
243.17455	8.6
251.17860	3.3
253.15866	2.6
253.19496	5.7
255.17366	5.0
255.20860	2.1
257.19058	5.1
267.17596	2.9
267.21051	3.7
269.19116	3.1
271.20517	2.4
297.22205	3.9
309.22217	2.9
311.23721	3.4
323.23730	2.3
333.22028	2.4
351.23090	4.3
363.26685	2.7
385.28912	2.6
391.29883	2.6
393.31360	2.0
403.29947	16.3
421.31015	61.8
422.31912	2.0
424.30124	2.1
439.32083	100.0
440.32245	4.8
457.33084	57.1
458.33173	4.3
705.38806	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	704.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.05040	0.9
57.07078	0.3
58.06618	0.4
60.08170	6.5
65.52414	0.1
67.05511	0.7
69.64230	0.1
70.06595	0.2
71.07381	4.1
71.33698	0.2
79.05492	0.3
81.07071	0.3
86.09714	31.2
87.10039	0.3
88.26299	0.1
89.06085	0.1
91.05473	0.3
93.07065	0.2
93.11279	0.2
95.08614	0.4
98.98474	3.4
104.10756	2.3
107.08611	0.2
109.10159	0.4
119.08593	0.2
124.37539	0.1
125.00015	20.5
135.76419	0.1
143.01065	0.2
153.51407	0.1
166.02745	0.2
175.96840	0.1
184.07356	100.0
185.07704	0.7
400.75275	0.1
404.87726	0.1
491.37329	0.2
704.44989	4.7
705.44995	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	703.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01867	3.1
55.05514	2.8
57.03434	4.3
61.02911	2.6
62.34937	0.7
66.92931	0.7
67.05500	3.6
68.99795	2.9
69.03433	29.1
69.07063	2.8
71.01376	1.0
71.04984	3.6
71.58548	0.8
73.02923	4.9
79.05496	4.4
81.03419	21.9
81.07072	7.1
83.05003	1.2
85.02908	40.5
87.00829	10.7
87.04477	1.1
91.03951	1.2
91.05475	4.7
93.07050	7.8
94.35197	0.8
95.04985	1.5
95.08610	9.0
97.02898	15.7
97.06544	1.6
99.04472	8.5
99.08099	0.8
101.02387	1.3
103.03946	1.4
105.01871	9.0
105.07036	8.7
107.08594	10.8
109.02887	22.5
109.06484	1.8
109.10178	5.6
111.08111	1.0
111.11643	0.8
115.73720	0.8
117.01868	2.1
117.07029	2.5
118.58144	0.7
119.08588	12.8
121.06514	1.9
121.10148	6.5
123.11739	1.5
125.09655	2.4
125.34917	0.7
127.03925	36.9
128.06223	1.0
129.01860	1.2
129.07033	1.9
130.07814	0.9
131.08582	6.6
133.06438	1.7
133.10133	7.6
135.08032	2.6
135.11714	3.1
137.09691	0.8
141.06998	1.1
142.07790	1.6
143.08638	4.2
145.04985	10.9
145.06493	3.0
145.10127	8.1
146.55983	0.7
147.02873	2.3
147.04420	1.1
147.08064	1.9
147.11734	4.0
149.09619	1.6
155.08603	1.2
156.09404	1.5
157.10098	5.5
159.02916	9.4
159.08076	6.8
159.11682	5.4
160.08849	0.9
161.09660	2.6
161.13251	2.1
163.11182	1.2
163.14934	0.8
163.28946	0.8
165.12781	1.3
169.10146	2.5
170.10962	0.9
171.08041	1.5
171.11699	4.1
172.08826	1.7
173.09633	7.0
173.13249	4.1
175.11215	2.9
175.14874	1.8
177.12682	0.8
181.10139	1.2
182.10814	1.0
183.11690	1.7
185.09666	2.4
185.13300	2.7
186.10503	2.6
187.06039	1.3
187.11215	4.7
187.14854	3.2
189.03961	0.9
189.12766	1.4
189.16460	1.4
191.14423	1.0
194.10793	0.8
195.11711	1.0
197.13307	1.5
198.10449	1.1
199.11166	6.4
199.14828	3.1
201.12762	17.9
201.14473	1.3
201.16312	1.3
203.14368	3.2
207.11755	1.3
211.11232	1.0
211.14853	1.6
213.04028	1.3
213.12816	2.9
213.16504	2.1
215.14366	10.1
217.16016	1.1
221.13345	1.1
223.14758	0.9
224.09604	0.8
225.12894	1.1
225.16528	1.1
227.14378	7.0
227.17949	1.0
229.15871	1.1
231.05009	6.9
231.17557	1.1
237.12834	0.8
237.16293	0.8
239.14282	1.8
241.15965	3.3
253.16032	1.9
255.17522	1.6
265.16016	1.1
267.17648	1.7
279.17697	1.0
295.20728	2.2
309.21964	1.6
336.39899	0.8
341.59009	0.9
361.25464	1.1
385.70865	0.8
394.25153	0.9
401.28424	4.1
407.29489	1.4
419.29413	23.5
437.30542	100.0
438.30872	3.2
455.31573	29.1
456.31888	1.2
599.35565	0.8
617.36206	1.3
659.37952	3.7
685.35742	2.1
697.04639	0.8
703.36896	31.8
703.49249	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	701.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.7
55.01868	1.9
55.05519	9.2
57.03436	4.8
57.07076	2.5
61.02934	2.1
67.05512	14.9
68.99797	4.9
69.03433	48.2
69.07071	11.5
71.05002	12.3
71.60316	1.6
71.75439	1.6
76.78328	1.5
79.05495	14.3
81.03424	53.7
81.07058	34.2
83.04984	3.7
83.08617	6.4
85.02908	29.9
86.09702	4.2
87.00823	13.8
91.05473	17.3
93.07053	31.0
95.05000	7.8
95.08613	50.6
97.02895	12.7
97.06538	5.5
97.10171	4.0
99.04469	30.4
102.28991	1.8
103.05536	1.6
105.01859	4.0
105.07034	44.1
107.04958	2.5
107.08601	46.1
109.02890	45.2
109.06522	6.0
109.10167	28.4
111.04453	4.5
111.08108	2.6
117.07034	5.3
119.08594	64.9
121.06554	4.5
121.10149	33.9
123.04433	2.1
123.08070	3.5
123.11725	9.7
125.09658	3.1
127.03928	95.3
128.06218	1.9
129.01848	2.0
129.07050	2.4
130.07840	2.1
131.08571	22.4
133.10139	43.5
135.11714	14.0
137.09668	2.1
142.07770	2.2
143.08542	8.1
144.09288	1.7
145.04980	4.8
145.10135	36.1
147.08034	1.8
147.11696	32.5
149.09581	5.0
149.13272	18.1
149.84171	1.9
151.11301	2.1
155.08479	1.6
156.09380	2.2
157.10149	10.5
159.11708	29.9
161.09662	4.6
161.13284	22.9
163.03908	6.1
163.11188	5.1
163.14830	23.6
165.09155	1.8
169.10036	1.8
171.11681	11.7
172.12518	2.2
173.04478	3.0
173.13284	25.3
175.11201	3.1
175.14833	26.5
177.12804	2.1
177.16431	23.0
183.11691	3.0
185.13268	11.3
187.06018	12.1
187.14830	44.3
187.16425	2.9
189.12799	2.1
189.16396	36.3
191.14381	14.1
191.15973	2.1
191.17941	11.2
193.15855	2.1
197.13304	2.9
199.14853	12.8
201.16399	22.6
203.14381	10.5
203.17963	100.0
205.15955	16.9
205.19617	4.4
207.14001	2.4
207.17451	3.2
211.14928	2.7
213.03947	54.9
213.16371	12.9
214.04237	1.8
215.05460	2.1
215.14609	1.9
215.17990	10.4
217.15930	5.1
217.19574	4.6
219.17419	3.5
221.15340	11.7
221.18900	2.2
223.16927	2.3
225.16508	2.3
227.17963	3.4
229.15955	2.9
229.19559	3.1
231.04996	23.0
231.17586	3.5
231.21107	3.8
235.16939	4.0
241.19556	4.5
247.16925	3.2
249.18539	11.8
259.04480	3.2
261.18558	2.0
265.19534	2.6
271.24112	1.6
281.22531	1.5
327.23413	2.5
360.89224	1.6
377.31876	2.8
389.32184	7.8
395.33408	2.6
407.33167	18.8
409.34613	2.9
423.32626	2.4
425.34152	28.6
435.32632	12.5
453.33752	14.6
471.34213	8.3
491.35660	1.6
521.98822	1.5
561.36133	2.3
579.21960	2.6
597.38080	2.4
611.39221	2.4
614.34650	1.8
637.36884	8.4
655.38513	3.4
657.39124	2.5
665.36127	4.7
683.37781	11.6
701.39124	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	701.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.8
53.03942	10.7
53.12616	1.8
55.05507	10.7
57.03442	3.3
57.07075	4.9
65.03957	2.9
67.05506	10.2
68.99801	2.8
69.03429	28.0
69.07060	12.9
70.98441	3.9
71.04992	11.0
73.05456	2.0
73.67841	1.9
76.28750	2.0
79.05487	10.4
81.02975	2.8
81.03416	32.8
81.07060	21.7
81.61441	1.7
83.04984	4.2
83.08615	8.4
85.02907	20.7
87.00831	6.8
91.05485	18.2
93.07051	26.5
95.04958	5.2
95.08609	36.2
96.78225	1.7
97.02890	10.9
97.06543	3.6
97.10178	2.0
98.84026	1.7
99.04465	31.7
102.77255	1.8
105.07037	29.9
107.08603	35.4
109.01632	1.9
109.02886	16.7
109.06486	3.2
109.10155	28.4
110.03654	2.3
111.04426	2.2
112.27968	1.7
117.07017	6.0
119.08585	55.9
120.08119	2.2
121.06486	3.9
121.10146	34.1
123.04411	3.9
123.08076	1.9
123.11715	6.6
127.03928	38.9
129.07021	4.1
130.07787	2.4
131.08574	23.0
133.10141	45.7
135.08095	2.1
135.11697	20.8
143.07472	1.6
143.08606	6.9
144.09354	3.5
145.04977	3.7
145.10127	58.8
146.10484	1.8
147.11684	28.0
148.07642	2.5
149.09644	3.4
149.13232	11.8
151.11292	2.4
153.09169	2.5
155.08554	3.4
156.09372	2.2
157.10118	13.4
158.10875	2.7
159.11699	38.8
161.13255	19.4
163.03922	6.7
163.11221	16.5
163.14804	12.9
169.10147	3.3
170.10951	2.3
171.11681	10.6
172.12457	2.6
173.09621	2.5
173.13274	22.3
175.11259	2.2
175.14818	27.6
177.16389	19.8
183.11765	3.7
185.13261	10.3
187.06017	15.3
187.14822	80.8
189.16388	47.2
191.17937	11.5
197.13321	3.5
199.14838	14.3
201.16385	100.0
202.16653	2.0
203.14235	3.6
203.17953	34.0
205.15897	49.2
207.17450	6.8
209.13214	3.0
211.14821	3.8
213.03949	65.8
213.16391	14.0
215.14413	3.7
215.17950	13.1
217.15871	3.0
217.19492	2.6
219.17450	9.1
221.15399	2.4
223.16983	3.0
225.16367	5.0
227.17981	6.4
229.15924	3.9
229.19586	2.9
231.05020	26.4
231.17404	2.6
233.19188	2.8
237.16507	2.4
239.18135	2.2
247.17006	9.2
253.19676	2.7
267.21036	2.8
281.61102	1.7
285.18524	2.0
307.24219	2.4
389.31992	13.1
391.33594	3.1
407.33099	30.2
409.34708	3.1
425.34100	9.1
435.32642	20.3
453.33679	11.0
519.06403	2.1
540.16968	1.9
544.75696	2.0
561.35663	2.3
579.36401	2.9
598.26001	2.0
637.36658	4.0
655.38336	2.9
657.39172	2.3
665.36487	6.9
683.37933	6.7
701.38403	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	701.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.6
55.05509	11.3
57.03430	4.2
57.07074	3.9
62.63271	1.6
67.05512	11.0
68.99779	2.0
69.03071	2.7
69.03429	32.6
69.07070	14.6
71.05001	13.3
71.58604	1.9
79.05485	8.7
81.02969	2.5
81.03424	29.4
81.07059	23.0
83.04972	3.0
83.08636	8.9
85.02913	24.9
85.06524	1.8
87.00816	5.2
87.77583	1.6
89.53676	1.8
91.05489	16.0
93.07045	27.3
95.04964	4.1
95.08612	41.0
97.02894	10.0
97.10165	4.0
99.04466	32.1
105.07038	33.7
107.04963	2.5
107.08594	38.5
109.02227	1.8
109.02893	18.9
109.06527	2.0
109.10159	29.9
110.03667	2.0
111.04409	1.9
117.07005	7.8
119.08585	64.1
121.10147	39.9
123.04416	2.7
123.08085	2.5
123.11703	7.5
125.09619	2.2
127.03920	42.2
129.07007	5.6
131.08582	26.1
133.10133	47.8
134.31760	1.7
135.11702	18.9
135.38992	1.8
137.09598	2.5
143.08557	6.7
144.09348	2.7
145.04965	2.9
145.10127	61.1
147.11699	32.9
149.09566	2.5
149.13298	17.6
153.75052	1.7
155.08533	2.3
156.09286	2.6
157.10184	11.7
157.11241	2.1
158.10883	3.3
159.10449	3.1
159.11699	47.5
160.12369	1.9
161.09647	2.4
161.13269	20.8
163.03938	3.8
163.11212	14.5
163.14830	13.7
169.10098	3.4
170.10919	2.4
171.11638	9.1
172.12474	5.9
173.13254	20.9
175.14839	23.1
177.12689	2.6
177.16391	22.7
179.14465	1.6
183.11717	4.9
185.13307	12.5
187.06065	20.2
187.14838	84.5
189.16386	64.5
191.17934	12.0
193.16022	2.1
197.13246	4.5
199.14798	12.6
201.16394	100.0
203.14281	3.2
203.17961	34.5
205.15897	50.0
205.19421	1.8
207.17450	6.5
209.13431	2.5
211.14760	4.9
213.03951	74.9
213.05968	4.1
213.16385	16.7
215.17989	19.7
217.15901	3.6
219.17490	9.5
223.16907	4.0
225.16443	5.0
227.17931	5.8
229.15886	3.5
229.19510	3.0
231.05013	40.0
231.17293	2.6
235.16922	2.1
239.18033	2.2
241.19562	2.9
245.15401	2.2
245.19090	2.4
247.16978	8.8
249.06020	2.2
253.19600	2.6
255.21089	3.0
267.21094	2.0
341.24768	2.1
381.82806	2.1
389.31970	15.0
391.33337	2.2
399.10635	2.0
407.33151	30.2
409.34604	5.5
417.31595	2.2
425.34073	5.6
435.32556	23.3
453.33951	12.0
453.39160	2.1
458.17007	2.5
579.37366	2.1
619.36316	2.1
621.37518	3.6
637.36682	3.4
657.39642	2.1
658.11871	2.0
665.36108	5.0
683.37610	10.3
701.38672	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	700.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20927	0.6
55.05518	5.9
57.03450	3.9
57.07080	43.3
61.02636	1.1
61.02931	15.3
61.13213	0.6
67.05511	12.9
69.03423	2.7
69.07072	9.4
69.67104	3.9
71.05006	1.0
71.08636	33.1
73.02924	4.7
75.04478	2.9
79.05477	1.5
81.03408	1.5
81.07063	17.5
83.08620	11.2
85.02422	1.0
85.02914	18.6
85.10184	18.6
85.37449	0.7
86.09735	0.7
89.06046	1.6
91.03392	1.2
91.03960	17.1
91.05519	0.8
93.07041	1.5
95.08610	26.7
97.02911	8.2
97.10179	12.2
99.04459	1.7
99.11738	1.3
109.10165	13.3
111.11734	5.0
123.11705	6.4
125.13226	0.6
127.03951	5.0
129.19658	0.7
137.13277	2.1
145.04956	7.9
151.14882	1.3
163.06020	12.2
184.07376	2.3
197.38179	0.6
249.25812	1.9
267.26840	23.1
285.27899	3.0
285.53262	0.7
304.71594	0.6
333.01868	0.6
341.30521	100.0
342.30911	2.5
359.31577	29.8
700.45135	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	700.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.05508	4.1
57.03425	1.2
57.07070	2.9
60.57185	1.1
64.41016	1.3
64.51662	1.4
67.05490	5.7
69.03434	1.5
69.07058	9.0
69.91569	2.8
69.91977	5.3
71.05019	1.4
79.05501	6.9
81.03419	2.5
81.07060	14.2
83.04987	2.3
83.08611	4.4
85.02889	5.9
91.05476	11.0
93.06533	1.9
93.07050	17.4
95.04958	2.6
95.08614	18.7
97.02905	1.5
97.06541	2.3
97.10164	2.1
99.08071	1.6
105.07031	30.2
107.05035	1.4
107.08592	28.5
109.06512	2.7
109.10172	13.1
111.08034	1.8
117.07024	6.5
119.07786	2.3
119.08588	33.3
121.02823	1.7
121.06523	2.2
121.10148	25.9
123.08047	2.5
123.11724	6.0
125.06044	1.5
127.03883	1.6
129.07007	4.3
131.08572	19.2
133.07567	1.2
133.10133	39.6
135.04437	1.5
135.08047	3.5
135.11694	15.2
137.06001	4.6
137.09650	2.0
137.13232	1.8
138.09187	1.3
142.07799	4.5
143.08572	12.6
144.09308	1.5
145.02849	3.6
145.10121	31.9
147.08040	2.6
147.11697	36.9
149.09651	2.7
149.13257	4.8
151.11185	2.0
155.08571	3.0
156.09296	3.6
157.10130	21.5
158.10892	2.0
159.11690	31.4
161.09622	3.0
161.13246	10.1
163.03896	4.7
163.11153	9.2
163.14821	4.7
166.08624	2.5
168.09492	1.5
169.10138	5.4
170.10982	2.0
171.11707	19.0
173.09720	1.5
173.13290	24.7
175.11168	4.7
175.14838	17.2
177.05487	5.9
177.12775	4.3
177.16374	20.3
178.05832	3.2
182.10960	2.4
183.11752	6.9
185.13263	19.8
187.11208	3.3
187.14816	32.8
189.12766	4.3
189.16399	17.8
191.14398	3.0
191.17953	4.2
195.11916	1.2
195.13664	1.8
197.13290	15.8
199.14827	17.4
201.12752	4.8
201.16367	12.8
203.14333	6.7
203.17979	3.0
205.15887	53.8
205.17831	2.7
207.17480	9.0
213.16464	7.3
215.14339	24.2
215.17790	6.3
217.15944	3.9
219.17415	6.4
223.16922	2.4
225.16307	1.8
227.17946	2.9
231.13812	2.6
233.15422	7.9
237.14468	1.4
237.18546	1.8
243.13699	1.7
253.19508	1.6
261.14819	4.4
267.20984	1.9
279.15930	14.9
304.61084	1.5
378.11615	1.3
383.29507	3.5
391.30225	2.8
393.31772	1.7
403.29868	4.5
405.31363	3.6
409.30670	2.3
411.32513	1.5
421.31073	11.6
423.32816	7.2
437.30325	2.8
439.32037	15.3
441.34003	9.8
449.30618	7.6
455.31705	5.5
457.32883	3.5
467.31607	36.3
475.34485	1.4
485.32629	100.0
486.32840	4.4
503.33728	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	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61190	0.3
66.77536	0.3
69.44384	2.4
103.35906	0.3
104.64088	0.3
113.14542	0.3
185.04176	0.7
215.37589	0.3
259.08054	0.4
337.12442	0.3
347.09604	1.2
373.47430	0.4
507.91769	0.3
537.30365	17.3
538.30615	1.1
699.35583	100.0
700.36182	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	699.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
65.03945	1.1
67.05498	2.6
69.26108	7.9
79.05501	4.6
80.05021	2.2
81.07066	1.3
91.05487	5.3
93.05769	1.0
93.07053	5.6
94.06583	7.0
95.04960	1.9
103.05462	4.4
105.05768	1.0
106.06551	6.0
107.07353	1.9
108.04485	1.2
108.08122	13.0
109.02852	0.7
110.09709	1.7
115.98612	0.7
116.04996	1.6
118.06548	4.3
119.07365	1.9
120.04445	3.3
120.07245	1.7
120.08110	34.2
122.05149	1.4
122.06036	25.3
122.09685	1.8
124.07572	2.5
130.06558	1.0
132.08063	2.8
134.06006	2.7
134.09668	1.0
136.07587	29.3
138.05507	2.2
138.09175	2.5
144.04477	2.7
146.06021	21.5
148.07581	100.0
149.08119	1.9
150.05582	1.2
150.09169	7.0
151.06267	1.0
152.07083	16.0
153.56789	0.8
158.09636	0.8
160.03979	1.0
160.07607	1.8
162.05521	2.8
164.07100	9.2
165.07895	2.2
166.08653	7.1
168.08156	1.1
172.03893	7.8
172.07584	1.3
174.05533	1.8
174.09149	4.7
175.06253	1.0
176.07089	2.2
178.04930	1.0
180.10191	1.1
182.09695	1.3
183.09193	1.0
184.09961	1.1
186.05579	1.0
186.09200	1.0
188.07019	1.3
190.03349	1.7
190.05014	19.2
194.09659	1.2
195.09203	1.9
196.09955	1.1
197.10780	3.6
198.11496	4.3
199.12131	1.3
201.10159	0.8
201.13811	1.1
208.09760	2.2
209.10725	3.2
210.09239	1.9
210.11545	5.8
210.13232	0.8
211.08745	2.1
211.12299	9.0
212.09462	2.8
212.13161	1.1
213.10216	2.6
215.11760	0.9
218.08189	2.7
219.09038	1.0
221.10789	3.5
222.07661	1.1
222.11577	1.7
223.08669	2.2
223.12309	11.5
223.96254	0.7
224.09329	5.6
224.12968	1.5
225.10271	16.1
225.13838	2.1
226.10994	9.6
227.11795	7.3
229.09734	1.9
229.13348	2.9
233.10754	1.2
234.11633	1.1
235.08594	5.4
235.12228	4.2
236.09401	8.7
237.10239	22.6
237.13811	1.8
238.11008	17.9
239.08186	1.1
239.11809	12.9
240.12622	0.9
241.09676	2.0
241.13423	1.8
248.09439	4.2
249.10234	14.2
250.11047	10.0
251.08012	1.7
251.11816	29.6
252.08751	16.7
252.12529	6.3
253.09729	3.8
253.13344	7.6
255.11295	9.3
256.12097	3.5
261.10260	2.4
262.11032	9.0
263.08191	3.0
263.11816	32.9
264.08899	9.9
264.12531	7.1
265.09744	11.7
265.13345	13.8
266.10486	12.0
266.13461	1.2
267.11304	24.5
268.12094	1.3
269.12817	4.7
271.10834	3.0
271.14404	14.1
273.12442	2.4
275.11862	1.7
277.09799	5.2
277.13489	2.3
278.10471	8.8
279.11301	43.2
280.11969	8.6
281.12830	17.9
282.10110	1.8
282.13364	1.3
283.10812	11.0
284.11581	19.2
285.12341	36.1
286.13049	1.5
287.14139	5.2
290.10477	1.2
291.11295	25.0
292.12033	7.9
293.09274	2.5
293.12759	17.8
294.13376	1.0
295.10724	3.6
295.14035	1.6
296.11536	12.9
297.12360	58.2
298.12943	3.5
299.13983	1.8
302.12988	1.7
304.08459	1.1
305.09332	2.1
307.10919	8.6
307.14203	1.4
308.11447	1.1
309.12357	29.9
310.13254	4.7
311.10260	11.0
311.13867	4.1
312.11072	3.9
312.14911	1.0
313.11935	2.5
314.12866	1.7
315.13663	4.1
316.14307	3.1
316.17703	1.0
319.10800	18.5
320.11343	1.1
321.12329	22.1
322.13278	1.6
323.10312	33.7
323.13684	1.6
324.10822	2.6
324.14633	0.9
325.11890	17.8
325.15515	0.7
326.12717	1.5
327.13406	6.5
328.14371	2.8
329.15167	3.3
330.16025	2.8
331.16727	1.3
337.11838	78.6
338.12363	4.4
339.13562	4.8
340.14359	1.7
341.11356	1.3
341.15100	1.5
342.12268	1.9
342.16153	2.9
343.12976	1.5
343.16907	1.0
344.13873	2.5
344.17712	4.0
351.13364	3.8
354.15985	1.9
354.49579	0.9
355.13214	2.5
356.13858	2.0
356.17651	1.5
357.14645	3.8
358.15311	2.4
358.19211	1.4
359.12234	2.1
367.13028	1.7
369.14600	5.9
369.18909	1.6
370.15411	3.6
371.16516	1.6
372.16837	4.5
373.13837	0.9
374.14929	1.3
376.16388	2.5
382.15341	1.6
384.12808	1.0
384.16940	2.6
385.14099	4.7
386.18652	3.1
387.15781	1.6
388.16510	2.5
390.18030	2.2
400.16565	2.7
401.17599	1.3
402.17905	2.4
403.19064	2.0
404.20184	4.2
411.11786	8.1
412.16544	5.0
413.13345	2.3
414.18280	4.2
416.15253	3.9
418.17245	2.5
424.16684	2.5
427.11569	2.1
428.19507	3.5
429.12833	1.5
430.17618	18.3
431.18304	3.2
432.19180	6.3
442.17697	7.5
444.19199	5.1
445.19843	1.2
446.21082	4.6
448.18719	25.4
449.19281	3.3
450.19962	2.3
458.16953	4.0
460.18637	28.2
462.20154	1.2
463.21265	1.4
464.21997	1.6
472.18680	11.5
473.19211	1.3
474.20337	7.1
476.18076	2.4
477.19073	1.4
478.19742	4.7
488.21661	3.0
490.19519	6.0
491.20486	16.2
492.21259	8.0
508.20609	1.6
516.21313	2.5
517.18457	2.2
518.19232	17.0
519.19666	2.8
520.20837	9.8
521.21289	1.1
522.18060	2.0
532.20752	9.0
533.21460	2.8
534.21771	3.2
535.19525	45.0
536.20276	22.6
548.20428	5.3
558.18427	2.5
560.20197	2.3
562.18280	11.6
563.19177	7.3
564.19904	8.9
567.26099	6.0
576.19800	47.6
577.20123	13.4
578.21393	13.6
593.74609	0.9
595.16559	0.9
595.25507	11.2
596.26031	1.0
613.26544	16.8
637.26813	6.1
655.27460	4.0
657.24750	1.4
681.25372	8.5
699.26514	19.0
700.26410	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	698.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02731	2.0
55.05513	26.5
57.03437	8.6
57.07083	17.6
59.05000	1.8
61.02933	29.4
67.05510	34.3
69.03441	2.3
69.06718	4.2
69.07071	48.1
71.04995	4.8
71.08634	12.9
71.20818	4.1
73.02917	7.7
75.04493	3.5
79.05495	23.1
81.07061	51.6
83.08141	2.9
83.08624	40.2
85.02904	34.2
85.06534	2.5
85.10180	5.7
91.03949	22.5
91.05469	5.5
93.07059	25.5
95.08612	49.4
97.02895	16.9
97.06535	11.2
97.10172	31.0
99.08133	2.8
105.07077	2.1
107.08604	16.5
107.27291	2.2
109.10165	23.8
110.07674	2.0
111.08099	7.1
111.11714	8.4
115.03902	3.0
119.08549	3.4
121.10149	47.2
123.11731	10.0
127.03945	11.2
127.04726	2.5
134.19409	2.2
135.11714	31.4
137.13289	4.6
145.05009	13.8
149.13283	13.8
151.14697	3.3
163.06024	24.9
163.14853	6.7
165.16463	4.8
177.16449	3.4
181.15744	3.3
247.24254	40.5
265.25281	100.0
277.05945	2.3
283.26334	19.6
339.28976	88.4
340.28922	2.8
357.29999	54.3
358.00320	2.2
448.93298	2.4
501.33887	2.4
698.22955	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	698.557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.05288	0.5
55.05521	4.4
56.05037	3.2
57.07082	3.4
58.06591	0.8
60.04535	1.8
65.03936	0.7
67.05174	0.7
67.05512	9.4
68.05022	0.8
69.03429	0.8
69.07074	5.6
70.06587	1.6
71.08645	1.9
71.58694	0.7
73.04674	0.3
79.05498	7.1
80.05017	3.1
81.03419	0.8
81.05803	1.7
81.07064	7.9
82.06590	6.7
83.08619	2.9
84.08141	0.5
85.02905	1.2
85.10170	1.0
91.05467	6.9
93.05795	0.5
93.07053	7.5
94.06575	23.1
95.04966	1.1
95.07375	4.9
95.08611	5.4
96.08134	3.8
97.02877	0.9
97.06580	0.4
97.10172	1.2
104.08811	0.3
105.07030	3.4
107.08612	2.3
108.08132	3.4
109.10175	2.2
114.80798	0.3
117.07007	0.4
119.08600	4.9
121.10157	2.9
122.09669	2.7
123.11702	1.2
124.11256	0.4
127.03894	0.5
133.10146	2.4
134.09702	0.4
135.10486	0.9
135.11693	1.5
136.11234	1.0
147.11691	0.6
149.13240	0.7
151.78780	0.4
161.13290	0.7
175.14799	0.5
193.19530	0.8
219.21181	0.6
233.22723	1.2
239.09610	0.4
245.22667	1.9
245.90314	0.4
250.25339	5.1
256.26425	2.8
262.25320	100.0
263.25772	2.3
280.26367	8.4
299.06235	0.4
488.48108	2.1
500.48276	8.1
502.49927	2.3
518.49396	17.0
519.49725	0.8
596.32257	0.4
680.54657	8.0
681.54388	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	698.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.05505	10.0
56.74654	1.7
61.02914	3.2
67.05491	9.4
69.03427	3.2
69.07074	10.2
70.06586	3.4
71.59368	2.2
79.05481	14.5
81.07052	22.0
83.08614	6.9
85.02888	7.5
85.06568	2.1
89.03951	2.2
91.05474	15.5
93.07049	22.0
95.04964	5.4
95.08604	32.1
97.02900	2.5
97.06502	2.8
99.08102	6.2
103.05503	2.6
105.07041	31.1
107.08597	45.1
109.02899	2.6
109.06548	3.8
109.10154	28.4
111.08078	4.0
117.07036	4.8
118.16903	2.1
119.04882	2.8
119.08582	69.3
121.06498	3.4
121.10151	28.1
123.08078	3.6
123.11701	6.5
129.06993	4.3
131.04922	4.3
131.08568	30.4
133.10138	36.4
133.24634	2.1
135.04393	3.9
135.08055	7.7
135.11681	17.0
137.05981	3.5
137.09605	4.1
137.13261	2.5
142.07736	2.4
143.08556	17.1
145.10127	45.7
147.04445	7.6
147.11687	34.4
148.07518	2.2
149.09598	3.0
149.13264	7.5
155.08524	3.6
156.09370	3.2
157.10144	19.5
159.11702	28.0
161.09642	6.3
161.13245	20.1
163.03935	4.7
163.07545	4.5
163.11195	3.6
163.14795	8.9
169.10143	6.7
170.10890	2.8
171.11731	17.1
172.12477	2.9
173.09709	2.4
173.13246	31.2
175.14828	34.8
177.05521	2.8
177.09174	2.6
177.12788	2.9
177.16350	7.0
179.14301	7.1
180.08661	2.8
181.08649	2.4
183.11678	11.1
184.12529	3.0
185.13257	32.6
187.14821	47.0
189.12744	7.9
189.16397	6.8
191.10588	2.1
191.14291	13.3
195.11789	4.0
195.13829	3.4
196.02690	2.5
197.13268	7.8
199.14835	29.8
201.12770	3.0
201.16393	33.6
203.14360	18.5
203.17967	4.7
205.15845	6.8
209.13173	3.8
209.15176	3.0
211.14799	6.5
213.16382	28.3
215.14293	6.5
215.17967	4.1
217.15866	6.6
219.13811	4.6
219.17444	5.6
221.15450	3.3
223.14833	3.7
223.16942	3.0
225.16402	5.5
227.17984	6.7
229.15828	3.6
231.13730	4.1
233.15417	8.8
235.13130	4.1
237.16547	4.5
239.18001	4.0
241.19545	5.9
243.13747	2.4
245.15259	11.8
247.16930	4.9
249.14857	9.1
251.18144	4.5
253.19429	3.8
255.21222	2.9
259.16922	21.1
267.21036	7.2
273.18521	3.4
303.23169	2.9
307.24106	6.2
309.25940	2.9
353.24731	7.7
371.25854	2.5
373.29025	9.5
375.30377	3.4
381.27954	4.1
391.29999	30.0
393.31381	8.8
409.31174	23.9
419.29483	20.9
421.31165	3.9
427.32150	3.1
437.30576	64.5
438.30750	3.0
439.32346	3.0
455.31601	100.0
456.31793	3.9
465.30017	6.8
473.32590	28.1
483.31186	28.3
501.31952	24.2
505.83923	2.3
519.32684	3.6
576.17499	5.7
635.37543	3.5
699.24200	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	697.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
54.72443	0.9
65.03941	5.4
67.05505	3.0
79.05496	8.3
80.05017	3.0
81.03417	1.2
81.07069	2.0
89.03959	1.1
91.05505	6.6
92.05010	2.6
93.05796	1.8
93.07065	7.3
94.06586	10.8
95.04961	2.7
96.08162	1.2
97.06507	1.0
103.05453	5.8
105.05788	3.0
106.06562	2.8
107.08590	1.1
108.04478	6.1
108.08123	22.2
110.09650	1.7
116.05000	5.2
118.06531	5.7
119.07384	1.8
119.08591	1.4
120.04481	16.3
120.08112	54.2
122.06030	15.6
124.07619	3.1
127.03896	1.4
129.06996	1.3
130.06566	1.6
132.04489	1.5
132.08131	1.4
134.06050	5.3
136.07590	20.9
136.08549	1.8
138.05574	5.8
138.09163	3.3
139.03922	1.6
144.04443	7.6
144.08078	1.8
146.06021	27.3
148.07581	72.1
150.05542	1.2
152.07140	1.7
158.06018	1.5
158.09697	1.9
160.03938	5.8
160.07610	2.7
162.05559	4.8
163.03960	1.3
164.07054	6.6
166.08690	4.6
167.07364	3.0
169.07610	1.4
170.09592	1.2
172.03940	12.0
172.07590	1.8
174.05553	4.4
176.07106	3.5
180.08125	1.2
182.08336	1.9
182.09717	4.5
183.09167	2.6
184.09978	2.8
186.05554	3.1
186.09258	1.6
187.08716	1.2
188.07173	2.2
190.05008	44.1
194.09798	1.4
195.09203	2.9
196.07787	1.4
196.09911	2.9
197.07098	1.5
197.10789	8.6
198.07744	1.2
198.09360	1.8
198.11382	2.2
199.08676	2.2
199.12318	8.6
204.06551	1.4
206.08214	1.3
207.09256	2.6
208.09962	3.1
209.10765	7.2
210.07596	2.1
210.09264	5.7
210.11523	2.5
211.08682	10.2
211.12390	4.6
212.09274	6.2
213.10342	1.8
220.07950	1.1
221.10738	2.9
222.07809	1.2
222.11296	1.2
223.08710	4.2
223.12341	5.1
224.09436	4.7
225.10246	31.6
226.11055	4.1
227.11794	42.8
233.10840	3.2
234.07635	3.2
234.11545	2.6
235.08452	5.6
236.09322	9.3
237.10228	10.5
238.07343	1.4
238.10930	7.1
239.08171	1.8
239.11865	9.9
241.09714	3.4
241.13377	2.9
247.08577	1.3
249.10280	9.6
250.11015	4.2
251.08290	2.9
251.11865	15.1
252.08702	15.8
253.09727	26.0
253.13367	3.3
254.10248	1.6
255.11331	17.5
261.10339	2.3
262.11090	2.8
263.08243	6.7
263.11893	2.5
264.08975	13.1
265.09714	5.0
266.10556	2.6
267.08237	1.7
267.11353	7.1
269.12863	54.8
270.13181	1.6
271.10754	26.0
273.12381	4.9
277.09741	9.2
278.10410	6.4
279.11295	31.1
280.12082	1.2
281.09485	2.1
281.12915	8.9
283.10730	7.9
284.11588	8.4
285.12436	13.2
286.13333	3.3
287.13974	5.1
289.09680	1.3
291.08020	1.2
291.11334	3.4
293.09317	3.1
293.12665	2.1
294.10043	2.0
295.10898	2.4
297.12390	13.2
298.10556	1.5
299.11465	2.1
299.14359	2.2
300.11542	3.0
301.12424	2.3
302.13104	2.7
305.09241	3.5
307.10825	17.5
309.12442	3.2
310.13733	1.7
311.11124	1.2
311.14664	2.6
312.11920	2.9
312.15094	3.8
313.11707	8.4
314.12906	7.3
315.13702	7.9
315.17038	1.1
316.10977	2.6
316.14520	3.7
319.10840	3.1
321.12338	6.6
323.10303	22.7
324.11258	1.6
324.15039	1.9
325.11813	13.9
325.15381	1.7
326.13034	3.8
326.16644	3.7
327.13876	3.3
327.17523	2.4
328.10873	11.8
328.14609	5.9
329.11560	1.8
329.15372	1.9
330.12393	2.8
330.16196	4.0
331.16861	4.1
337.11923	3.0
338.13095	2.7
339.13736	11.8
340.10858	1.7
340.14493	5.1
340.18192	1.7
341.11639	8.8
341.15402	3.7
342.12393	22.2
342.16168	3.0
343.13101	12.9
343.16595	1.3
344.13937	4.0
351.14066	1.3
352.14645	5.8
353.12521	1.7
354.12628	3.4
354.16052	3.8
355.13495	4.5
355.17355	1.5
356.13940	16.9
356.17752	1.8
357.14670	5.4
358.15430	6.7
359.12357	12.3
365.11331	30.8
366.12003	1.5
366.16104	5.2
367.13055	14.2
367.16782	1.5
368.13928	3.8
368.17847	2.7
369.10803	2.4
369.14932	3.4
370.11603	2.3
370.15561	15.1
371.16605	2.1
372.13226	2.3
372.17343	2.7
376.16431	2.0
378.13217	1.3
378.18323	3.0
380.13968	7.1
381.14777	2.0
382.11719	8.5
383.12497	9.1
384.13101	7.4
384.17438	4.1
385.14014	13.9
386.14352	6.2
386.19397	5.3
388.16782	4.6
390.18301	5.3
394.15414	8.0
395.15683	1.3
396.17346	2.4
397.14420	2.3
398.15021	47.5
399.15823	34.6
400.16660	7.4
401.13605	2.4
402.18628	2.6
404.15887	6.8
410.15274	1.9
411.11877	31.2
412.11853	1.7
412.16556	9.7
413.13229	2.3
414.18259	8.4
416.16068	30.4
417.16544	2.4
422.16565	4.2
428.16000	14.2
429.12927	3.7
430.17795	6.9
431.18326	1.3
435.18198	2.1
440.16019	29.1
441.16159	1.4
446.17154	33.6
446.22922	2.0
447.17871	1.4
448.18698	4.7
458.17148	100.0
459.17493	3.4
472.18567	2.4
477.19104	1.3
500.18625	3.2
523.23145	1.3
547.23260	6.5
549.25079	1.5
551.23102	3.0
565.24567	27.6
566.24744	1.5
569.24426	1.3
575.22937	12.2
581.27466	2.1
583.25488	3.9
593.23975	43.7
594.24854	2.0
607.25433	2.3
609.26862	6.9
611.25061	71.7
612.25293	2.6
625.26318	4.6
635.24982	19.1
636.25354	1.9
653.26135	20.0
654.26453	1.8
655.24005	17.1
661.22510	2.0
669.25348	1.5
679.14417	0.8
679.23944	23.7
680.24786	1.8
697.24969	49.2
698.25275	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	697.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	1.0
53.03918	1.7
53.46357	0.6
54.03431	0.8
54.05893	0.7
56.49916	0.7
65.03946	4.5
67.05464	1.7
68.16053	0.7
69.25480	0.7
69.25785	7.7
79.05499	8.1
80.05027	3.5
89.03857	3.3
91.05486	6.5
92.04937	3.2
93.03359	1.1
93.05731	2.4
93.07053	7.3
94.06577	16.8
95.04917	3.1
96.08068	2.3
98.21527	1.7
103.05479	7.4
105.05731	2.5
106.06498	3.2
107.07254	1.1
108.04487	6.2
108.08123	19.4
110.09615	2.1
116.04966	6.1
117.05712	1.0
118.06564	5.7
119.07288	1.3
120.04482	17.7
120.08112	53.0
122.06043	17.9
122.09635	1.0
124.07610	4.7
130.06520	1.2
132.04399	2.2
132.08041	1.8
134.06036	6.7
134.09612	0.7
136.07590	22.5
138.05518	5.0
138.09152	4.6
144.04465	7.8
144.08069	1.6
146.06018	28.7
146.09612	1.0
148.07579	76.9
149.07904	1.0
150.05519	1.0
150.09143	0.7
152.07091	1.4
154.06401	1.0
156.07968	0.9
158.05989	2.9
158.09590	2.3
160.03943	4.9
160.07536	2.8
161.07072	1.1
162.05511	4.8
164.07104	6.8
166.08606	4.8
167.07242	2.4
168.08028	1.8
168.19165	0.7
169.07588	0.9
170.08299	1.3
170.09599	2.3
172.03947	17.3
172.07498	2.9
172.11208	0.9
174.05508	3.8
176.07030	4.2
180.08066	1.8
180.10049	0.8
181.07468	0.8
181.08894	1.9
182.06046	0.8
182.08267	3.2
182.09677	3.5
183.09138	3.0
184.09926	4.4
184.11308	1.0
185.07123	1.6
185.10716	1.0
186.05434	2.9
186.09161	1.7
187.08559	0.9
188.07019	1.4
190.05005	49.4
191.05344	1.2
191.07231	1.1
193.07484	0.9
195.09140	2.9
196.07646	1.5
196.09885	3.5
197.07065	2.0
197.10748	9.8
198.07672	1.1
198.09299	1.4
198.11394	2.2
199.08598	3.2
199.12334	7.1
201.10229	1.0
204.06575	1.4
206.09738	1.5
207.09155	3.6
208.09782	5.6
209.06827	0.8
209.10742	6.8
210.07513	1.7
210.09109	4.7
210.11421	3.8
211.08705	12.0
211.12228	5.1
212.09378	6.7
213.10162	2.3
213.13928	0.9
219.09105	1.2
220.09883	0.8
221.10689	3.9
221.30292	0.8
222.11436	2.3
223.08775	4.3
223.12254	8.0
224.09248	7.1
225.08043	1.7
225.10248	33.3
226.10873	3.8
227.11797	45.8
228.12207	1.1
229.13396	1.0
233.10693	2.7
234.07559	2.9
234.11363	1.7
235.08598	5.0
235.12300	0.7
236.07037	0.6
236.09401	12.8
237.10211	13.4
238.07291	0.8
238.11040	6.7
239.08170	1.7
239.11792	9.6
240.08725	0.7
240.12474	1.2
241.09653	2.6
241.13429	3.2
245.12909	0.9
248.09488	1.7
249.10242	11.7
250.07208	0.8
250.10986	3.1
251.08170	1.9
251.11803	15.0
252.08670	14.5
252.12524	1.5
253.09717	22.3
253.13428	3.7
254.10222	2.0
255.11322	17.8
261.10229	2.2
262.08578	1.5
262.11035	2.7
263.08139	7.9
263.11664	3.3
264.08911	14.9
265.09763	6.0
266.10440	3.3
267.11337	7.7
269.12860	60.3
270.09796	1.7
270.13120	0.8
271.10770	27.8
272.11646	0.8
273.12393	5.4
275.11691	2.1
277.09744	9.9
278.10471	5.5
279.11295	35.0
280.12003	1.3
281.09277	3.1
281.12817	8.9
283.10712	9.1
284.11554	8.3
285.12387	11.0
286.13162	2.6
287.14111	4.7
288.11688	1.0
289.09613	1.0
289.13187	1.3
291.11304	4.2
292.08435	1.4
293.09158	3.8
293.12778	3.8
294.10034	1.4
295.10617	6.1
296.11563	2.3
297.12411	12.9
298.10687	2.2
298.13611	1.0
299.11389	2.3
299.14120	2.5
300.11481	4.2
300.14890	1.3
301.12769	1.9
302.12811	2.1
305.09268	2.4
306.10089	0.9
307.10779	17.9
308.11731	0.9
309.12335	3.1
310.13452	2.0
311.10883	1.8
311.14243	2.7
312.11862	2.6
312.15247	5.3
313.11932	8.8
314.12970	9.2
314.16470	1.4
315.13696	6.8
316.10733	2.5
316.14474	6.0
317.15250	1.3
319.10760	3.0
321.12424	5.5
323.10297	20.4
323.14111	0.9
324.11371	1.5
324.14957	2.0
325.11847	14.7
325.15421	0.8
326.13492	4.1
326.16180	4.2
327.14038	3.8
327.17221	2.7
328.10794	10.0
328.14456	8.3
329.11533	3.6
329.15198	2.5
330.12341	3.1
330.16025	5.4
331.13159	1.1
331.17007	4.2
335.10391	0.9
337.12024	3.9
337.15735	0.9
338.12936	2.5
338.16611	1.0
339.13672	11.2
340.10901	1.8
340.14450	5.3
340.18124	1.3
341.11520	7.9
341.15247	3.9
342.12369	23.6
342.16064	4.3
343.13089	14.7
343.16803	0.8
344.13943	3.2
344.17581	0.9
351.13800	2.0
352.14609	6.4
353.12024	1.5
353.15411	2.2
354.12186	4.7
354.16275	4.0
355.12979	5.7
355.16934	2.6
356.13916	17.1
356.17664	1.7
357.14789	5.3
358.15515	7.8
359.12405	13.2
359.16727	1.1
360.13150	0.8
365.11325	29.1
366.12076	2.0
366.16064	5.5
367.13077	13.0
367.17041	0.8
368.13748	3.1
368.17673	3.3
369.10776	1.6
369.14917	3.6
370.11700	2.5
370.15628	15.5
371.13092	1.4
371.16455	2.1
372.13013	1.4
372.17108	2.0
373.15176	0.7
374.14859	1.3
375.15656	0.8
376.16568	1.3
378.18152	2.2
380.13898	6.6
381.14569	3.0
382.11746	10.7
382.15475	1.1
383.12424	9.5
383.16330	0.7
384.13095	9.1
384.17319	2.9
385.14050	13.5
386.14514	7.4
386.19519	4.3
387.15710	1.3
388.16550	3.1
390.18362	5.5
394.15479	9.1
395.16559	0.9
396.12891	1.0
396.17160	2.0
397.14844	1.4
398.15012	42.7
399.15811	35.8
400.16635	7.0
401.13602	2.3
402.18262	3.0
404.15967	7.2
410.14981	1.8
411.11887	35.0
411.17361	1.7
412.11963	1.3
412.16647	8.9
413.13535	2.8
414.18286	7.9
416.16043	33.3
417.16617	2.1
422.16739	4.0
428.16025	16.2
429.12833	2.7
430.17743	6.5
440.16092	30.6
441.16357	1.6
446.17139	35.8
447.17633	2.5
448.18518	1.7
454.17542	1.2
458.17126	100.0
459.17560	4.0
460.19165	0.9
472.18637	3.3
477.19125	1.0
500.18079	2.4
506.23166	1.1
521.24976	1.5
523.23175	1.6
530.19171	0.9
533.22284	0.9
547.23413	5.3
551.22729	3.2
565.24512	29.3
565.33539	1.7
566.25427	1.6
575.23053	12.3
581.27161	1.6
583.25433	3.5
585.27411	1.1
593.23987	41.8
594.24225	2.3
607.25763	1.4
609.27100	7.7
611.25031	69.8
612.25757	3.6
625.26691	3.6
635.25012	19.2
636.25427	1.1
653.26025	25.1
654.26385	1.5
655.24042	15.0
661.23523	1.0
669.24933	1.0
679.23981	20.4
680.23999	1.3
697.25018	49.5
698.25159	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	697.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.3
55.01831	1.1
65.03941	4.1
67.05451	2.3
70.41613	0.5
70.52981	1.2
70.53347	1.3
77.03883	1.1
79.02612	0.7
79.05494	7.5
80.04957	2.1
81.03341	0.7
82.06515	0.7
83.82675	0.6
89.03905	1.2
91.05491	4.8
92.04943	2.7
93.03354	0.9
93.05735	2.1
93.07049	6.1
94.06575	12.8
94.41727	0.5
95.04896	1.8
95.07322	1.0
96.08089	1.7
103.05475	5.8
105.05717	2.2
106.06496	2.6
107.07282	0.8
108.04487	6.5
108.08128	18.7
110.05967	1.7
110.09612	1.3
116.05001	4.5
117.05681	1.0
118.06554	5.1
119.07250	2.1
120.04470	16.6
120.08114	47.3
121.08350	0.7
122.06042	15.9
122.09562	0.7
124.07642	3.8
124.08420	1.0
128.06177	0.6
130.06483	1.2
132.04388	1.8
132.08037	1.9
134.06024	4.7
136.07584	19.3
138.05492	4.5
138.09129	3.6
143.07196	1.0
144.04451	6.2
144.08023	1.1
145.07555	0.9
146.06021	22.6
148.07581	66.2
149.07928	1.1
150.05470	1.4
152.06984	1.2
153.06905	0.8
154.06493	0.7
156.08046	0.7
158.05946	2.0
158.09731	1.1
160.03960	5.8
160.07487	1.9
161.06993	1.1
162.05537	5.0
164.07082	5.6
166.08615	3.8
167.07285	1.7
168.08073	1.7
169.07576	1.4
169.08839	0.8
170.05916	0.9
170.08331	1.4
170.09680	1.6
172.02531	0.8
172.03940	12.8
172.07523	2.6
172.11243	0.8
174.05515	3.7
175.08649	0.6
176.07054	3.2
178.05029	1.1
180.08060	1.5
181.07477	0.7
181.08882	1.4
182.08327	2.2
182.09816	3.5
183.09132	2.4
184.07509	1.1
184.09897	3.1
184.11374	0.8
185.07033	0.9
186.05453	2.8
186.09186	1.0
187.08705	1.4
188.07053	2.3
188.09511	0.7
190.05002	41.2
191.05235	0.7
192.06618	0.8
194.08296	0.9
195.09125	2.3
196.07556	1.1
196.09912	4.3
197.07024	1.7
197.10733	9.0
198.07697	1.1
198.09276	1.4
198.11424	2.2
199.08640	1.4
199.12318	7.0
200.06975	0.8
201.10217	0.7
204.06508	1.1
206.08087	1.0
206.09773	0.8
207.09117	2.4
208.09741	4.9
209.10730	5.2
210.07750	3.4
210.09164	3.1
210.11450	2.6
211.06708	0.6
211.08678	11.3
211.12270	4.9
212.09361	6.6
213.10066	2.3
218.08171	0.6
220.09912	1.0
221.06973	0.9
221.10699	4.2
222.07680	1.4
222.11499	1.8
223.06586	0.7
223.08601	3.6
223.12175	5.3
224.07088	0.9
224.09204	6.4
225.06715	1.1
225.10234	26.1
226.10876	3.4
227.11809	37.6
228.12164	1.3
229.13286	1.1
233.10661	1.7
234.07404	4.9
234.11386	1.2
235.08649	4.0
235.12286	1.2
236.09441	10.9
237.10239	10.9
238.10995	5.3
239.08128	1.0
239.11797	8.9
241.09708	3.3
241.13356	1.9
243.11177	0.9
247.08594	1.2
248.09444	1.3
249.10291	9.0
250.10938	3.6
251.08205	3.0
251.11819	13.3
252.08681	13.9
252.11546	0.7
252.12436	0.8
253.09732	22.0
253.13313	2.9
254.10294	2.0
255.08643	1.0
255.11304	16.8
261.10239	2.0
262.08655	1.2
262.11050	1.5
263.08163	6.0
263.11478	2.9
264.06345	1.1
264.08942	13.5
265.09726	6.6
265.12485	0.8
266.10403	2.1
267.11246	6.8
268.08316	0.8
269.12863	47.7
270.13354	0.9
271.10779	25.8
272.11447	1.2
273.12427	4.7
275.11612	0.8
276.08862	0.7
277.09683	8.6
278.10529	5.7
279.11301	29.0
280.12003	1.2
281.09326	1.8
281.12823	7.1
283.10770	10.4
284.11465	6.5
285.12375	11.3
286.10452	1.1
286.13184	2.3
287.11426	0.6
287.14001	5.0
289.09558	0.9
289.13004	0.9
291.07935	0.6
291.11203	2.2
292.08490	0.7
293.09219	3.3
293.12732	2.8
294.10016	2.1
295.10803	5.0
296.11765	1.4
297.12360	12.0
298.10706	1.7
298.13635	1.4
299.11325	1.5
299.14111	2.0
300.11435	3.4
300.14886	1.3
301.12381	2.3
302.13135	3.1
303.10965	1.2
304.14398	0.8
305.09100	2.2
307.10779	14.5
308.11334	1.3
309.12491	2.9
310.13519	2.7
311.10696	1.9
311.14224	2.2
312.11865	2.0
312.14987	4.2
313.11877	8.5
313.15759	0.8
314.09845	0.8
314.12997	8.4
314.16510	1.1
315.13635	7.4
316.10822	2.3
316.14407	4.5
317.15268	2.1
318.15994	0.9
319.10703	1.9
321.08710	1.1
321.12344	6.1
322.12927	0.6
323.10284	19.8
323.13785	1.0
324.11218	1.7
324.14969	1.6
325.11862	11.6
325.15665	0.8
326.12808	3.9
326.16525	3.1
327.10147	1.2
327.13766	3.3
327.17365	1.3
328.10764	10.5
328.14478	7.6
329.11569	2.7
329.15216	2.1
330.12372	1.8
330.16031	4.7
331.13187	1.5
331.16794	4.3
336.11234	0.9
336.15189	0.7
337.11929	2.9
338.13223	2.9
338.16626	1.3
339.13785	9.6
340.10931	1.9
340.14392	4.7
341.11526	8.7
341.15210	3.7
342.12399	23.7
342.16080	3.5
343.13223	11.1
343.17154	1.4
344.13837	3.6
344.17419	1.3
345.14777	1.1
350.08865	0.7
351.13831	0.9
352.14490	5.0
353.11987	1.0
353.15378	2.1
354.12299	4.2
354.16302	3.7
355.13049	5.8
355.16922	2.0
356.13885	14.0
356.17746	1.5
357.14713	5.8
358.15579	7.0
359.12393	12.3
359.16635	1.0
360.16995	0.8
365.11337	24.4
365.15216	0.9
366.11865	1.7
366.15988	4.2
367.13065	11.9
367.17114	0.8
368.13785	2.6
368.17654	3.7
369.10989	1.3
369.14780	2.9
370.11761	1.8
370.15625	13.6
371.16168	2.7
372.17111	2.1
373.14539	0.9
374.14725	1.1
376.16397	0.7
378.18396	1.4
380.14020	5.7
381.14746	1.8
382.11758	11.6
382.15549	1.1
383.12521	8.6
383.16922	1.0
384.13165	7.4
384.17282	1.8
385.14075	11.0
386.14511	6.1
386.19275	4.8
387.15598	0.9
388.16843	2.9
390.18222	4.9
394.15512	8.4
396.17200	2.5
397.14624	1.7
398.15021	41.0
399.15778	33.9
400.16541	6.1
401.13043	3.0
402.18277	2.4
404.15982	7.3
410.15140	2.0
411.11884	25.3
412.12103	1.3
412.16690	7.3
413.13559	2.8
414.18243	7.6
416.16055	31.1
417.16708	2.2
422.15891	4.4
428.16074	13.0
429.12738	2.0
430.17703	6.7
434.17313	0.9
435.18140	1.3
440.16074	25.7
441.16412	0.9
446.17160	33.5
447.17160	1.4
448.18875	3.2
449.19748	1.4
454.17529	1.8
458.17133	100.0
459.17404	4.5
460.18539	1.0
470.16772	0.8
472.18802	2.2
476.18137	1.1
500.18118	2.4
505.22662	1.5
518.19287	1.0
521.25690	1.4
523.23480	0.9
547.23499	5.1
549.25049	1.0
551.22717	3.0
565.24469	26.5
565.38092	1.0
566.24792	1.7
567.26489	0.8
569.23987	1.4
575.23090	12.6
576.22217	0.9
581.27393	1.7
583.25537	4.3
593.23987	37.5
594.24310	2.3
607.25470	1.2
609.27094	7.3
611.25043	70.3
612.25293	3.3
625.26477	4.2
635.24994	18.4
636.24792	0.8
637.22748	0.9
653.26086	21.7
654.26508	2.1
655.23914	13.3
661.22882	2.1
669.25397	1.7
679.23987	21.1
680.24603	1.3
697.25055	44.7
698.25781	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	696.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.3
51.78878	0.2
53.03943	1.2
55.01875	0.4
55.05515	5.6
56.05046	3.4
57.03443	0.3
57.06821	0.3
57.07078	2.8
58.02968	0.3
58.06583	0.7
60.04301	0.2
60.04530	2.2
61.02914	0.7
65.03931	0.7
67.04241	0.5
67.05506	12.1
68.05011	0.9
69.03429	2.7
69.07074	7.1
69.07450	0.4
69.84106	0.5
69.84519	0.8
70.06297	0.2
70.06593	2.3
71.04990	0.3
71.08641	1.6
73.02917	0.3
75.81503	0.2
76.03992	0.5
77.03897	0.2
79.05495	9.3
80.05023	3.5
80.18613	0.2
81.03398	0.9
81.05808	1.6
81.07059	10.0
82.06111	0.5
82.06583	6.6
83.08621	4.4
84.08149	0.4
85.02908	3.7
85.10171	0.8
87.04451	0.2
91.05488	7.9
93.05813	1.1
93.06460	0.4
93.07051	8.8
94.06572	18.2
95.04975	1.1
95.07354	7.7
95.08607	7.1
96.08139	5.4
97.02903	1.3
97.06547	0.5
97.10178	2.4
98.06051	0.3
99.04444	0.4
100.07603	0.4
105.07037	5.4
107.07359	0.3
107.08604	4.7
108.08126	3.0
109.02847	0.4
109.10163	2.6
110.09655	0.4
111.11699	0.6
114.09162	0.2
117.07003	0.5
119.08582	5.3
120.08085	0.4
121.10147	4.7
122.09676	2.4
123.11700	1.0
124.11225	0.3
125.13281	0.3
127.03917	0.8
131.08565	0.2
133.10153	3.6
134.09639	0.5
135.10573	0.3
135.11684	3.3
136.11205	0.8
137.13245	0.7
145.04999	0.5
147.11702	1.4
149.13263	1.0
151.14851	0.5
156.17453	0.2
161.13278	0.9
163.14798	0.5
164.55945	0.2
168.17384	0.3
175.14816	0.4
189.16386	0.3
193.19467	0.3
203.17973	0.3
219.21107	0.5
220.20439	0.3
233.22647	2.8
234.22227	0.5
237.22037	0.3
245.22673	4.6
247.24126	0.4
250.25317	5.8
254.24791	1.7
260.23740	0.4
262.25314	100.0
263.23389	0.3
263.25821	2.0
264.26816	0.6
272.25842	4.8
273.97565	0.3
278.24835	0.2
280.26373	5.9
282.24246	0.3
296.26083	0.3
298.27435	0.2
312.25327	0.7
314.26715	0.3
351.07294	0.2
442.31573	0.7
504.47849	3.0
516.47791	21.7
517.47900	1.1
518.49396	7.6
519.49695	0.3
534.48828	5.3
609.00195	0.2
624.14294	0.2
645.46600	0.3
678.86298	0.2
696.53894	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	696.432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23735	4.2
53.03941	9.7
55.01872	6.4
55.05513	23.2
57.03444	21.6
61.02920	6.4
67.05507	60.0
69.03416	4.9
69.07066	14.2
71.04972	4.1
71.59341	3.2
71.59717	4.7
71.63222	4.5
73.02874	4.2
79.05492	62.4
81.03423	86.6
81.07060	63.8
83.04991	9.5
83.08609	25.6
85.02894	5.9
85.06519	4.3
88.65500	3.5
91.05492	36.6
93.07047	64.6
95.04975	35.4
95.08609	31.7
95.47285	4.1
97.02919	4.3
97.06525	3.5
97.10175	8.2
99.08090	4.9
99.65502	4.3
105.07026	26.9
107.04922	8.9
107.08603	27.7
109.06516	4.0
109.10163	20.9
111.04422	4.1
111.08086	9.7
115.05412	4.0
117.07012	12.7
119.08585	30.7
121.06469	5.8
121.10153	36.4
123.04395	3.8
123.08087	5.2
123.11720	6.7
125.09566	4.8
129.07014	10.3
131.08601	25.0
133.10158	16.9
135.11711	28.7
141.45259	3.5
145.10136	15.7
147.11697	14.9
149.09641	10.4
149.13220	14.8
157.10138	6.2
159.11688	13.8
163.11140	4.3
173.13235	10.6
175.11230	8.2
189.11308	5.4
193.12250	20.7
211.13309	3.8
215.17937	27.5
227.12868	6.2
233.19016	20.1
251.77628	3.7
262.25290	10.3
267.15927	97.5
273.22198	5.8
275.20291	3.6
307.22702	100.0
319.19916	4.1
363.30954	3.9
363.44513	4.6
425.30112	5.0
443.31595	3.9
499.34225	44.6
517.35083	16.6
524.14276	3.7
541.35315	4.3
713.76215	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	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16196	0.9
53.03939	2.7
55.01890	1.5
55.05512	15.8
57.03439	5.9
57.07084	9.1
61.02638	1.8
61.02933	26.3
65.03956	1.6
67.05509	67.8
69.03432	2.7
69.07071	23.6
69.41055	8.9
71.05006	2.4
71.08628	5.3
73.02931	9.0
79.05495	19.5
81.03439	2.5
81.07063	74.2
83.04993	1.7
83.08630	19.8
85.02418	2.1
85.02911	29.1
85.06535	2.9
85.10175	2.6
91.03959	24.2
91.05489	14.4
93.07050	23.2
93.29203	1.1
95.08612	70.7
96.08958	1.4
97.02909	15.8
97.06538	7.3
97.10167	13.1
99.04449	1.4
99.08086	3.1
105.07045	11.2
107.08599	15.4
107.52200	1.2
109.10162	34.1
111.08085	2.2
111.11732	2.8
113.09674	2.3
115.03930	1.2
119.08596	9.9
121.10148	20.7
123.08102	2.1
123.11727	19.0
125.09606	1.6
127.03910	9.3
133.10161	15.6
135.11705	10.6
137.13243	7.2
139.11322	1.6
141.12756	3.1
145.04959	17.2
147.11684	10.3
149.13264	11.7
151.14848	8.4
153.12766	1.3
155.14337	3.7
161.13255	15.2
163.06020	24.3
163.14818	9.6
165.16414	9.6
175.14861	9.7
177.16478	2.0
179.18004	8.3
181.15770	1.2
189.16411	4.7
203.18085	1.6
217.19414	1.4
228.29648	1.2
228.89980	1.1
245.22664	71.9
246.23021	2.2
263.23724	100.0
264.24020	2.1
265.25186	2.5
281.24713	2.7
284.88806	1.1
328.69302	1.2
337.27380	48.2
355.28580	6.9
388.60770	1.5
432.87302	1.2
456.38272	1.7
554.18683	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	695.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10623	0.3
55.01852	0.8
61.72393	0.3
67.05476	0.3
69.07052	0.5
69.63682	2.0
70.06567	0.2
80.29884	0.3
82.79648	0.3
94.06525	0.3
95.04987	0.3
96.04478	0.3
104.62173	0.3
108.03807	0.3
108.04482	4.5
109.98910	0.3
122.06010	1.0
124.07555	0.3
127.69685	0.3
136.07571	1.6
138.05499	0.9
140.07092	1.7
146.06009	2.0
147.04379	0.4
148.03969	0.5
148.07541	1.0
148.66191	0.3
150.05539	0.7
164.07010	0.4
166.04971	1.0
168.06572	4.9
168.07979	0.5
174.05540	1.3
181.08627	0.4
182.64423	0.3
194.09717	0.4
195.09221	0.4
196.09689	0.3
196.11281	0.6
197.10706	0.4
198.07829	0.5
199.08640	2.0
201.10077	0.4
204.06578	0.8
206.08173	2.0
210.07841	0.6
211.08667	6.7
211.12204	1.5
212.09396	2.1
213.10277	2.0
214.10919	0.5
221.10754	1.0
222.09242	1.6
223.08664	1.3
223.12323	0.6
224.10722	1.4
225.10239	6.7
226.07367	0.9
226.10880	0.8
227.08176	2.0
227.11775	0.8
234.09377	0.3
237.10324	0.6
238.11041	0.5
239.08110	0.8
239.11807	9.3
240.08997	0.8
240.12527	0.8
241.09731	3.0
241.13412	1.1
242.10533	1.2
249.10278	1.2
250.08679	1.3
251.08188	1.4
251.11813	0.5
252.08626	1.8
253.09738	6.2
254.10464	1.1
255.11290	1.2
256.12057	0.4
257.12915	0.6
259.14716	0.3
267.08331	0.4
267.11301	13.2
268.09317	0.4
268.12000	0.8
269.09430	0.6
269.12814	1.7
271.06018	3.8
278.08102	0.3
280.08420	0.6
281.09256	1.2
283.10684	0.6
284.11545	0.9
285.12347	2.0
287.14114	0.6
295.10779	7.0
295.14151	0.4
297.12402	1.7
298.10678	0.4
303.13266	0.4
305.14883	1.6
313.11838	42.3
314.12350	1.5
315.13412	0.8
323.10321	2.2
341.11346	18.7
342.12067	2.9
355.12952	2.0
359.12463	3.4
373.13974	100.0
374.14325	2.8
375.15527	0.3
401.60632	0.3
492.15421	0.3
627.24219	0.9
645.25574	1.9
659.27228	0.7
663.26398	0.8
668.55176	0.3
677.27759	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	693.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19540	1.0
55.05511	3.2
57.03432	2.1
57.07078	1.4
61.02921	5.6
67.05511	9.2
69.03437	3.8
69.07079	4.1
71.60073	1.3
73.02921	4.0
73.72012	0.9
79.05491	2.7
81.03425	2.6
81.07063	6.5
83.08620	3.0
85.02904	5.4
91.03968	3.5
91.05477	2.5
93.07053	3.3
95.08649	4.7
97.02885	4.0
97.10148	1.3
98.98500	1.0
99.04456	1.1
101.02418	1.6
105.07031	2.1
107.08608	1.2
109.02866	0.9
109.10148	4.7
119.08588	2.0
121.10173	1.2
121.32319	0.9
123.11694	1.4
127.03976	0.9
129.07021	1.0
152.81154	0.8
163.11221	1.0
173.11752	1.3
211.13313	1.4
290.77441	0.9
413.17883	3.5
521.30963	6.3
521.38507	4.7
693.41876	100.0
694.42181	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	694.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01871	2.8
55.05532	1.8
57.03440	4.5
57.46812	1.2
60.24048	1.1
61.02920	2.1
65.03981	1.0
67.05508	7.9
67.05807	1.6
68.99777	1.3
69.03430	10.4
69.07063	3.3
71.04993	2.6
71.59331	1.6
72.79826	1.3
73.02927	2.1
73.87454	1.2
75.04485	6.8
77.27229	1.1
79.05514	7.1
79.05891	1.1
79.31836	1.0
79.40207	1.1
81.03414	11.7
81.07059	19.2
83.08638	1.6
84.08160	6.9
85.02911	20.5
86.06044	1.2
87.00829	9.9
91.05490	10.7
93.07051	58.5
94.06544	1.3
95.04977	5.1
95.08611	12.2
97.02898	17.7
97.06547	2.2
99.04475	3.4
105.01860	5.6
105.07043	12.5
107.04958	2.1
107.08598	23.4
109.02896	12.6
109.06524	13.6
109.10162	5.2
111.08089	10.3
117.01908	1.9
117.07023	2.6
119.08582	17.3
120.08077	1.1
121.06523	37.0
121.10149	42.5
122.05976	1.4
123.08058	7.4
127.03925	14.4
129.01855	1.5
131.04941	1.5
131.08502	2.7
133.06482	3.6
133.10141	9.6
135.08067	14.3
135.11739	5.6
136.07562	1.7
137.06021	1.6
139.07529	2.2
141.98549	1.1
143.08557	3.0
145.04979	3.6
145.10118	2.8
147.04382	2.1
147.08087	5.8
147.11710	9.9
149.05939	6.5
149.09595	8.5
151.07538	3.0
153.41847	1.4
157.10114	3.3
159.02921	4.1
159.11748	2.1
161.09660	3.7
161.13223	5.5
163.07579	1.4
163.14822	23.9
163.16098	2.1
165.07172	1.3
165.09073	1.9
166.89845	1.1
171.08051	1.6
171.11644	2.1
173.09689	1.6
175.07542	13.7
175.11177	2.2
175.14853	16.1
185.13254	4.7
189.12794	4.7
191.07059	2.6
195.11729	1.4
198.10381	1.4
200.82053	1.3
203.14291	13.8
204.06683	1.7
205.15880	2.1
213.03955	11.0
213.12721	9.4
221.15387	3.8
231.04935	2.3
231.13802	33.9
242.76266	1.1
249.14862	43.8
267.15933	100.0
268.16223	2.9
321.14746	1.4
330.61548	1.1
339.15839	2.1
356.99069	1.1
426.01059	1.3
461.18143	4.9
479.19052	3.3
497.13104	1.3
497.20233	19.7
694.19440	1.6
723.81219	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	693.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86353	1.1
53.79926	0.9
54.20742	1.0
55.01847	1.0
55.05511	3.6
57.03443	2.2
59.59538	0.9
61.02932	5.2
62.38033	0.9
62.70820	1.0
64.19976	1.0
67.05507	12.3
69.03428	3.6
69.07064	3.8
71.08628	1.0
71.60036	1.2
73.02915	2.1
79.05480	2.8
81.02959	1.2
81.03408	3.7
81.07052	6.1
83.08633	2.2
85.02920	5.9
91.03954	3.5
91.05491	2.2
93.07049	2.2
95.04964	1.2
95.08608	3.9
97.02895	4.7
98.98438	1.3
105.07043	2.6
109.10159	6.8
119.08618	1.2
127.03968	1.4
173.11717	2.4
179.96368	1.2
182.71799	1.0
185.04231	1.1
185.58150	1.1
243.08461	2.0
267.45261	1.2
310.62668	1.1
413.17871	10.9
485.51041	1.1
521.30695	3.3
521.38550	5.1
693.41840	100.0
694.42462	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	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02968	1.3
53.03182	1.7
53.03941	3.6
55.01860	3.7
55.05512	22.2
57.03187	1.5
57.03441	15.3
60.04524	1.9
61.02915	6.5
63.57488	1.1
65.03935	3.1
67.05173	2.4
67.05508	31.3
69.03431	8.8
69.07069	10.7
69.49158	8.5
71.04990	5.9
73.02896	2.5
79.05063	1.7
79.05498	33.2
81.03422	93.3
81.07061	38.8
83.04984	24.0
83.08143	1.9
83.08620	33.8
85.02910	36.9
85.06555	2.8
86.06074	3.7
87.04466	1.7
88.15331	1.3
91.05488	43.1
93.07052	22.6
95.04976	36.6
95.08607	14.2
97.02893	7.8
97.06527	4.3
97.10172	5.5
99.04436	1.5
99.08052	1.5
105.04521	1.4
105.07031	35.0
107.04978	10.8
107.08608	9.8
109.06510	8.1
109.10168	4.4
111.04473	3.4
111.08089	14.0
113.06007	3.0
115.05415	2.4
116.10754	7.9
117.07011	2.3
117.11079	1.5
119.08595	27.0
121.06506	1.9
121.10149	12.3
123.08062	3.6
123.11708	2.6
123.19980	1.2
125.09618	3.0
127.03869	1.9
127.07537	1.2
129.06999	16.1
131.08591	15.2
133.06464	4.5
133.10146	15.7
135.08044	1.7
137.09518	2.7
137.13216	1.4
138.09079	1.4
142.07748	4.0
145.10094	2.1
147.08038	5.0
147.11691	21.3
149.09621	6.8
149.13281	1.6
157.10138	20.9
165.12738	2.8
175.11201	20.8
193.12259	66.0
194.12663	1.9
200.21902	1.4
211.13303	100.0
219.21695	1.4
245.01720	1.2
249.14861	1.9
267.13037	1.4
267.15936	41.0
285.16977	86.7
328.24777	4.1
329.25043	3.2
330.25400	2.7
344.24103	1.7
367.22665	2.7
385.23776	4.5
403.24670	1.6
426.32040	2.2
444.33154	4.5
456.01419	1.3
459.27469	19.5
477.28549	24.6
495.29568	69.3
496.29645	3.0
578.30835	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	691.442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.8
51.71148	1.6
53.03941	2.6
55.01876	2.3
55.05513	9.0
57.03429	2.9
57.07058	3.9
61.02918	2.0
62.93228	1.6
67.05512	12.9
69.03441	7.5
69.07075	15.6
71.04978	4.4
71.59548	2.8
72.08141	1.4
73.02909	1.8
79.05499	13.0
81.03432	13.1
81.07066	23.6
83.04973	2.5
83.08616	6.9
85.02922	17.4
87.00827	6.2
91.05473	10.2
93.07059	24.5
95.04967	2.9
95.08616	49.4
97.02897	8.2
97.06530	2.0
97.10171	4.5
99.04422	2.1
99.08052	2.4
105.01884	3.1
105.07046	13.7
107.05023	1.7
107.08609	33.6
109.02882	8.0
109.10161	29.1
111.11742	1.7
117.01842	1.6
117.06996	2.1
119.08593	27.2
121.06625	1.7
121.10155	34.9
122.10432	1.8
123.11700	11.7
124.61761	1.5
125.09589	2.1
127.03918	11.3
127.11186	5.3
129.06950	1.9
131.08574	3.9
133.10146	25.7
135.11697	33.3
136.11986	1.6
137.13234	5.3
143.08533	2.8
145.04924	2.4
145.10170	9.4
147.11700	16.0
149.13277	20.0
155.49677	1.8
157.10162	1.7
159.02942	2.4
159.11714	9.3
161.13281	10.9
163.03914	1.8
163.14835	11.5
165.09143	4.7
173.13246	4.9
175.14841	8.6
176.15198	1.7
177.16425	4.8
183.11673	1.7
187.14813	5.9
189.16364	10.8
191.17972	100.0
192.18350	4.4
198.67400	1.6
201.16434	10.1
203.18001	18.8
205.19510	4.0
213.16432	1.9
215.17894	3.8
217.19524	21.6
219.21074	2.6
231.04984	1.8
233.19006	4.7
235.20566	2.5
262.60361	1.7
295.23935	1.8
311.10620	1.6
407.36987	7.8
415.82550	1.9
424.36417	1.7
425.37854	35.7
691.33093	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	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01859	0.6
55.05511	2.5
57.03434	2.7
61.02929	5.8
65.03946	0.5
67.05508	10.4
67.47839	0.5
69.03426	4.4
69.07062	1.6
69.38992	0.8
69.39390	4.1
71.01344	0.5
71.05012	0.7
72.05053	0.5
73.02917	4.7
79.05495	4.7
81.03427	4.2
81.07064	7.3
83.04977	0.7
83.08636	1.8
85.02905	6.6
91.03948	4.0
91.05488	3.2
93.07052	4.8
95.04973	1.0
95.08613	5.4
97.02895	5.3
97.06557	0.6
99.04454	1.4
101.02389	1.6
105.07033	2.1
107.08599	2.9
109.02868	1.0
109.06553	0.6
109.10155	6.3
111.04446	0.6
117.07026	1.0
119.08605	2.2
121.10133	2.5
127.03921	2.1
131.08574	1.2
133.10138	1.0
135.11726	1.5
137.09700	0.6
143.08540	0.9
145.10162	1.4
147.11723	0.8
149.13248	0.7
159.11772	0.9
173.11755	1.0
173.13219	1.1
184.07426	1.0
185.04231	0.8
195.10034	1.0
211.13316	0.8
226.09773	0.5
243.08339	1.1
252.25877	0.5
319.49973	0.5
335.25864	1.1
413.17871	4.1
519.29303	9.8
519.36841	1.0
529.38855	1.6
580.72668	0.5
680.83301	0.5
691.40265	100.0
692.40863	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	691.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01869	0.6
55.05518	2.3
57.03446	2.8
57.07093	1.0
61.02925	4.6
65.03931	0.5
65.85058	0.4
67.05168	0.7
67.05512	12.9
69.03433	4.6
69.07069	1.9
69.35806	4.2
71.01357	0.5
71.04990	1.1
73.02932	3.2
79.05493	4.6
80.91000	0.4
81.03423	5.4
81.07067	7.7
83.04987	1.4
83.08620	1.7
85.02915	5.9
91.03947	3.1
91.05489	3.9
93.07051	4.5
95.04976	1.8
95.08618	4.5
97.02905	5.5
97.06528	0.9
97.10142	0.6
98.20715	0.9
99.04467	1.0
101.02400	1.4
103.03955	0.5
103.58324	0.4
105.07053	2.9
105.74015	0.4
107.08603	2.7
109.02903	1.0
109.10166	8.4
111.04438	0.8
111.08102	1.2
117.07011	1.2
119.08607	2.3
120.92367	0.5
121.10150	2.2
123.11693	0.7
127.03941	1.9
129.07040	0.9
131.08585	2.1
133.10168	1.5
135.11713	1.3
137.09633	0.5
145.10153	1.2
147.11699	1.2
149.09650	0.6
155.08652	0.5
163.11203	0.7
164.16988	0.4
173.11772	1.6
173.13226	0.7
187.14819	0.7
193.12315	1.9
195.09920	1.0
211.13313	2.5
229.14413	1.1
243.08430	2.0
267.16071	0.5
391.29004	0.6
413.17862	10.4
421.19009	0.5
510.56522	0.5
519.29291	4.1
519.36292	0.7
529.38977	1.3
673.42920	0.6
691.40302	100.0
692.40588	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	690.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74188	1.5
55.05513	20.7
57.03436	14.2
57.07075	7.8
59.04974	2.0
60.08168	2.1
61.02933	4.9
65.03938	2.1
67.05510	81.3
69.03462	2.5
69.07071	19.3
69.96391	8.3
71.05007	4.5
71.08631	4.7
72.68583	2.9
79.05502	6.7
81.07060	28.3
83.08619	19.9
85.02901	2.1
85.06539	3.9
85.10195	2.5
86.09711	3.1
91.03939	2.2
91.05488	8.0
93.07043	12.9
95.08610	20.5
97.02866	3.9
97.10168	9.7
105.07046	2.4
107.08614	6.9
109.10168	70.1
110.10535	2.6
111.08098	3.4
111.11739	2.7
116.53801	1.9
119.08563	5.7
121.10153	8.1
125.00065	2.8
135.11705	7.8
137.09595	4.5
147.11720	2.3
149.13309	2.8
155.10666	7.1
163.11111	2.9
167.52139	2.2
167.96872	2.0
173.11760	18.7
184.07373	14.0
229.14371	100.0
230.14752	2.4
339.28955	74.7
340.29306	2.4
463.81738	2.0
493.38913	56.1
494.38757	3.0
519.36639	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	690.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
52.49221	0.9
53.03945	3.7
55.01875	7.3
55.05266	1.2
55.05516	16.1
57.03439	12.4
59.05000	2.2
61.02925	4.2
62.95522	0.8
63.84208	0.9
65.03929	1.2
67.05167	1.5
67.05510	21.4
69.03424	5.7
69.07081	6.9
69.07422	1.2
71.01359	1.3
71.05004	4.9
73.02917	1.4
79.05497	23.3
81.03423	47.5
81.07059	23.5
83.01360	4.2
83.04987	16.8
83.08626	21.7
85.02912	22.3
85.06531	1.1
86.06082	2.4
87.00781	1.3
91.03947	1.6
91.05490	25.7
92.05822	1.1
93.07048	24.2
94.06571	0.9
95.04977	16.8
95.08616	9.6
97.02906	7.3
97.06544	5.7
97.10167	2.4
99.04457	2.9
99.08110	1.4
103.05523	1.0
105.07043	16.7
107.04948	8.5
107.08600	10.6
109.02884	2.5
109.06528	7.2
109.10183	3.4
111.04443	3.8
111.08080	7.1
113.06024	1.2
116.10754	4.6
117.07049	5.7
119.08585	18.0
121.06494	3.2
121.10136	9.5
123.08049	6.1
123.11685	1.7
125.05985	1.3
125.09670	1.7
127.03923	2.0
129.06993	7.9
130.06564	9.7
130.07550	1.3
131.08566	8.7
133.06560	1.5
133.10139	8.4
133.20972	0.9
135.04472	1.3
135.11707	6.3
137.09634	2.7
142.07716	0.9
142.12291	1.0
143.07437	0.9
145.10138	10.3
147.08054	4.2
147.11685	9.3
149.09618	3.9
153.12711	1.3
155.08606	1.6
157.10150	9.4
163.03934	4.6
163.11195	16.4
165.09106	2.7
165.12727	1.6
173.09566	2.1
175.11198	8.5
181.12311	1.5
191.10712	2.4
193.12257	27.8
209.11798	4.8
211.13319	44.2
212.13618	1.1
227.12842	2.6
248.33484	0.8
267.15930	10.4
283.15424	53.9
285.16980	33.6
334.06482	1.0
344.24384	4.6
383.22122	3.7
401.23505	1.5
407.33240	1.2
457.25739	4.4
475.27048	14.4
493.27997	100.0
494.28394	5.1
520.25311	0.9
592.29163	1.8
638.04907	0.9
690.38165	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.1
53.03952	12.8
55.01859	5.6
55.05297	2.1
55.05516	25.6
57.03437	11.2
57.07072	4.3
61.02932	10.8
65.03941	6.0
67.05508	65.1
68.15899	1.6
68.57454	1.7
69.03428	25.7
69.07069	23.2
69.59458	6.0
69.59894	6.5
71.04976	8.8
71.08642	2.5
73.02911	7.6
79.05496	55.8
81.03423	69.2
81.06583	3.8
81.07063	74.0
83.04996	14.9
83.08640	13.8
85.02908	12.0
85.06525	6.0
86.89894	1.7
87.04461	3.0
89.06012	2.9
91.03965	5.1
91.05488	48.9
93.07050	56.4
95.04977	10.8
95.08616	42.3
97.02898	29.0
97.06552	8.8
97.10168	5.7
98.20817	2.7
99.04462	6.1
99.08089	2.1
101.02393	3.1
103.03931	2.5
105.07039	48.9
107.04939	4.5
107.08597	31.2
109.02908	11.2
109.06522	4.9
109.10158	15.3
111.04411	5.6
111.08109	4.6
113.02362	2.0
115.05457	3.1
117.07022	21.2
119.08584	32.9
121.06503	2.6
121.10155	24.6
123.04433	1.9
123.08102	3.2
123.11704	7.7
125.09608	4.2
127.03912	11.7
128.06229	3.9
129.05476	6.6
129.07018	21.4
130.07755	2.0
131.08568	38.4
133.06491	4.0
133.10139	28.2
135.08083	5.0
135.11678	12.9
137.09642	3.3
141.06987	8.4
142.07803	6.5
143.08577	25.8
145.06520	2.6
145.10121	28.9
147.08049	4.4
147.11688	25.2
149.09631	4.6
149.13293	12.1
151.11166	2.7
153.06950	2.9
155.08545	14.3
157.06509	2.1
157.10152	21.1
159.08044	2.5
159.11707	24.4
161.05991	2.0
161.09529	2.3
161.13277	7.0
163.03893	2.3
163.11153	2.9
165.12773	6.6
167.08575	7.4
168.09300	2.3
169.10114	16.9
171.11700	17.9
173.04456	14.5
173.09697	2.6
173.13252	14.1
175.11249	2.4
175.14836	2.2
177.12721	3.4
179.08553	2.8
180.09523	2.1
181.10104	6.9
183.08116	2.8
183.11693	15.6
184.07365	5.0
185.13280	15.3
187.11169	2.4
187.14824	5.2
189.12706	2.7
189.16275	2.4
193.10120	3.1
195.07961	1.9
195.11690	6.2
195.13860	3.4
197.13206	10.7
199.04050	2.2
199.05981	2.6
199.11299	1.8
199.14859	6.5
201.12868	2.1
201.16476	2.0
203.14339	2.3
207.11703	2.7
209.13196	5.7
211.14909	8.6
213.12868	1.7
213.16479	2.9
217.10291	2.2
221.13313	4.1
223.14882	5.9
225.16431	2.9
237.12868	2.5
237.16351	5.8
239.14459	2.1
239.18147	2.7
241.19537	6.3
257.18964	2.9
259.20508	9.3
261.22202	5.7
267.15900	7.7
269.17297	8.5
271.20572	2.8
283.20789	2.1
285.16766	1.9
297.22110	1.8
301.21744	3.6
309.22202	3.1
311.23901	1.9
313.21545	3.5
315.23059	2.4
323.24002	1.8
333.24286	4.7
335.25784	4.9
339.23169	2.9
343.22577	2.1
345.14624	2.1
351.23022	3.3
367.22690	2.2
413.21738	6.0
417.31317	2.6
435.32635	12.1
453.33578	8.2
471.34439	4.2
509.36151	8.4
517.38898	3.2
525.35468	6.9
527.37329	100.0
528.37982	4.7
529.38733	4.1
539.36981	2.9
543.35632	2.7
545.38141	10.4
551.37512	2.6
569.38062	4.4
581.37701	2.8
602.23273	6.1
635.39136	6.3
653.40399	7.8
671.41302	12.3
689.31726	3.2
689.42554	44.3
690.42358	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	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.3
53.03947	14.6
55.01874	7.1
55.05518	32.9
57.03439	12.8
57.07079	3.9
60.18258	1.7
65.03937	7.0
65.31274	1.6
67.05508	76.5
69.03078	2.2
69.03434	37.5
69.07072	17.3
70.68247	6.2
71.05000	8.6
72.24183	2.0
73.02908	2.2
77.03941	3.1
79.04801	2.5
79.05495	70.5
81.03423	100.0
81.07060	79.2
83.04985	23.0
83.08624	24.0
85.02911	18.4
85.06537	5.2
91.05484	65.3
92.78171	1.8
93.07048	64.2
95.04977	35.3
95.08609	48.9
97.02902	20.2
97.06540	6.8
97.10196	4.9
98.21394	2.2
99.04465	5.7
99.08124	3.5
99.40162	1.8
103.05489	4.2
105.04525	3.5
105.07035	49.7
106.07390	2.1
107.04964	9.5
107.08603	29.4
109.02876	15.0
109.06512	9.4
109.10153	14.9
110.84402	1.6
111.04454	14.6
111.08090	13.2
115.05456	4.7
117.07020	16.4
119.08582	38.3
121.06518	4.7
121.10149	29.7
123.04469	3.3
123.08101	3.9
123.11713	7.4
125.05988	2.8
125.09609	2.9
127.03917	13.0
128.06267	3.6
129.05502	2.3
129.07021	19.5
131.08583	32.8
133.06535	5.8
133.10129	25.2
135.08070	2.9
135.11708	16.6
137.09579	2.6
141.07024	4.9
142.07816	3.3
143.08549	10.8
144.00896	1.7
145.06531	3.3
145.10139	16.8
147.08093	5.9
147.11693	25.0
149.05984	2.2
149.09642	7.7
149.13350	6.7
153.12833	2.4
155.08597	7.0
156.09326	2.3
157.10156	18.3
159.08072	3.1
159.11705	11.7
161.09464	1.9
161.13316	7.2
163.03889	2.2
163.11227	6.5
163.14957	2.3
165.12793	6.5
167.08546	2.5
169.10156	5.5
171.11699	7.6
173.04480	4.4
173.09631	3.6
173.13298	7.3
175.11209	15.1
177.12791	3.0
180.63457	2.0
181.10164	2.6
181.12239	3.5
183.11722	4.1
185.13300	5.2
187.14899	4.9
189.11241	2.0
189.12808	2.5
191.10664	4.1
193.10435	3.2
193.12254	45.5
195.11694	3.9
195.13785	2.0
197.13315	4.1
199.06201	1.7
199.14838	2.9
207.11873	2.3
209.13400	2.8
211.13303	59.5
225.12630	2.1
227.12773	5.0
229.14354	2.1
243.21028	3.4
245.15546	1.9
249.14883	2.4
259.20682	4.5
261.22211	7.2
267.15781	10.1
277.21722	3.0
285.17062	8.3
295.20804	2.4
301.21796	5.1
315.23254	2.3
335.25784	10.9
337.16580	2.0
345.24332	2.8
351.23178	5.2
355.17606	7.1
369.24417	6.7
387.25458	4.0
389.54291	1.8
405.26343	2.7
411.20169	4.1
425.27197	2.1
435.32571	2.6
443.28067	3.1
453.33667	3.2
461.29321	3.4
471.34116	2.2
527.37250	15.3
543.36230	1.9
545.38574	9.1
653.40540	6.9
671.41870	7.4
689.42603	77.3
690.43018	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	689.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
55.01879	6.7
55.05513	33.9
57.03444	14.2
59.05008	3.0
59.91537	2.5
64.26258	2.0
65.03942	7.6
67.05508	85.1
69.03439	31.1
69.07068	25.5
71.04990	9.3
71.58616	3.0
73.02902	4.1
79.05058	4.4
79.05499	75.6
81.03423	100.0
81.06578	3.9
81.07061	78.8
83.04988	19.9
83.08623	21.5
84.18288	2.1
85.02906	19.5
85.06553	6.5
91.05486	77.6
93.07051	66.5
94.07387	2.0
95.04974	46.3
95.08614	50.2
95.18491	1.9
96.20730	2.6
97.02907	19.9
97.06535	8.1
97.10171	7.5
99.04480	7.3
99.08104	2.4
103.03986	2.7
103.05482	3.5
105.07037	48.5
107.04967	15.3
107.08595	36.0
109.02872	18.2
109.06528	12.3
109.10147	18.4
111.04429	12.0
111.08109	7.6
113.05955	2.8
115.03948	2.4
115.05449	3.0
116.06271	2.5
117.07030	15.5
119.08595	41.7
121.06488	6.1
121.10159	26.2
123.04462	7.7
123.08070	6.0
123.11696	6.1
125.09633	4.8
127.03938	10.2
128.06235	4.7
129.05527	3.1
129.06992	22.0
131.04906	2.9
131.08578	31.5
133.06508	3.4
133.10147	25.6
135.08055	5.6
135.11714	13.6
137.06032	2.4
137.09660	3.5
141.06992	6.6
142.07805	2.9
143.08540	13.2
145.06525	3.9
145.10132	24.9
147.08055	4.1
147.11674	25.9
149.09618	9.9
149.13274	6.9
153.12766	3.4
155.08617	4.2
157.06516	2.4
157.10146	20.1
159.08058	4.0
159.11737	13.2
161.09645	3.4
161.13295	5.7
163.03860	2.8
163.11165	7.1
165.12802	4.7
167.08580	3.1
169.10181	7.9
171.08072	3.9
171.11696	8.9
173.04466	4.3
173.05980	2.8
173.09645	5.5
173.13298	9.1
175.11266	8.0
179.10689	3.0
181.10196	2.7
181.12306	2.6
183.11746	8.5
184.07385	3.5
184.92036	2.5
185.09633	3.1
185.13272	4.5
187.14821	3.9
189.12701	4.3
191.10812	3.8
193.12241	32.4
195.11728	3.1
195.13986	2.2
197.13245	3.0
200.03470	2.4
209.13348	3.2
211.13261	42.5
227.12711	4.7
235.13332	10.6
242.47083	2.7
247.13306	2.3
249.15038	4.0
259.13455	5.3
259.20651	3.7
261.22089	4.8
267.15961	7.7
269.17319	2.4
273.14816	5.5
285.12119	2.3
285.16974	8.4
301.14450	5.1
301.21634	3.8
315.23508	2.9
335.25803	19.7
337.16666	3.0
341.24728	3.2
345.54468	2.6
351.22928	5.2
355.17615	4.5
369.24234	9.3
387.25198	3.9
411.20126	6.7
461.28870	3.5
527.37366	16.3
545.38306	9.9
580.19366	3.2
635.39258	5.7
653.40173	7.6
671.41132	12.6
689.42426	60.8
690.42334	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	689.39
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	2.3
53.03941	8.1
55.01880	4.7
55.05503	7.7
57.03433	5.2
57.07082	2.5
61.02926	6.1
61.28222	2.3
67.05511	14.6
68.99800	2.5
69.03076	2.6
69.03434	42.6
69.07075	12.8
71.04983	4.1
73.02919	4.7
79.05490	13.9
81.03432	25.0
81.07058	19.2
83.04968	3.5
83.08616	5.6
85.02913	68.4
85.03426	3.6
87.00831	27.3
90.78391	2.5
91.05472	15.3
91.77707	1.8
93.07066	19.4
95.04964	4.8
95.08033	3.6
95.08599	28.8
97.02910	18.4
99.04456	12.5
100.81414	1.9
105.01865	22.2
105.07028	20.3
106.07391	2.2
106.74495	1.9
107.04979	2.2
107.08600	28.3
109.02891	28.5
109.06554	2.6
109.10162	23.9
110.13368	2.0
111.08069	3.3
114.44770	2.0
117.01845	3.2
117.07035	5.2
119.08587	32.2
121.06493	5.1
121.10151	25.9
123.08061	2.7
123.11721	7.9
127.03925	53.3
129.01814	2.0
129.06998	5.2
131.08588	12.3
133.06506	6.9
133.10129	19.8
135.08095	18.4
135.11705	10.9
137.09636	4.8
137.13246	3.8
139.04404	2.4
143.08545	6.6
145.04977	12.0
145.10121	22.4
147.08067	10.5
147.11688	14.1
149.09593	6.2
149.13252	7.2
151.11179	2.8
151.14955	2.1
155.08577	5.9
157.10109	10.8
159.02911	6.6
159.08043	5.3
159.11707	18.0
161.09656	17.3
161.13257	10.5
163.11287	2.4
163.14793	5.8
169.10123	6.4
171.11690	12.6
173.09662	5.9
173.13254	11.6
175.11224	13.9
175.14824	12.9
177.12833	2.7
177.16377	6.4
179.14319	2.3
183.11726	12.9
185.09570	3.5
185.13252	6.4
187.11209	4.2
187.14813	18.7
189.12749	7.2
189.16405	8.6
191.14401	3.1
191.17932	3.3
195.11696	2.1
197.13258	5.9
199.11224	2.8
199.14810	5.6
199.26804	2.1
201.12781	5.2
201.16345	10.6
203.14346	43.4
203.18007	2.6
205.15936	14.3
207.13777	2.3
209.13205	4.0
211.14850	4.6
213.16400	8.4
215.14406	4.6
215.17969	9.8
217.15886	31.1
223.16963	3.5
227.17976	5.5
229.15930	5.1
229.19601	3.4
231.05029	10.4
231.17444	5.1
233.18867	2.0
239.17970	4.1
241.15897	8.4
241.19565	3.5
243.17516	4.0
253.19582	9.4
255.17574	3.0
257.19003	4.0
269.19116	2.2
271.20685	3.5
281.17444	3.0
282.17709	2.8
353.24918	3.1
353.29150	2.0
387.30368	3.6
405.31540	26.7
423.32553	71.5
424.32965	4.7
441.33667	100.0
442.33957	5.8
473.29376	2.7
474.29120	4.5
492.30569	3.1
645.40234	3.1
664.40619	2.2
671.37482	2.3
689.38879	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
55.01876	6.9
55.05515	6.3
57.03451	5.9
57.07078	1.8
58.15107	1.0
61.02930	3.3
65.03944	1.1
66.14902	1.1
67.05510	10.3
68.99792	3.8
69.03065	2.3
69.03433	31.0
69.07077	11.6
69.41987	9.1
71.01366	1.5
71.05000	5.5
71.08627	1.4
73.02930	7.8
79.05501	9.8
81.03425	38.8
81.07063	30.9
83.04978	1.6
83.08625	2.6
85.02446	1.2
85.02912	35.5
86.06097	3.4
87.00835	19.4
91.03960	2.6
91.05486	11.2
93.07055	22.8
95.04996	3.0
95.08618	30.0
97.02905	18.6
97.10193	2.3
98.09669	1.2
99.04466	12.6
99.08142	3.4
105.01869	9.7
105.07039	21.4
107.08598	25.6
109.02890	28.5
109.10162	16.3
111.08078	1.8
115.03930	1.3
116.10720	5.8
117.01871	4.2
117.07025	5.2
119.08600	21.0
121.10149	16.9
123.08046	1.9
123.11716	9.3
125.09662	2.7
127.03930	38.0
128.06244	1.4
129.01813	2.5
129.07042	4.8
131.08572	14.4
133.10133	22.7
135.11711	19.3
137.13300	6.3
141.07024	2.4
142.07805	2.7
143.08577	9.7
144.09303	1.2
145.04976	8.6
145.06522	1.0
145.10133	18.6
147.03004	1.7
147.08073	1.9
147.11684	14.8
147.12762	1.2
149.13278	6.8
151.11162	1.8
151.14893	1.2
154.07854	1.6
155.08623	4.4
156.09317	1.4
157.10149	16.0
159.02911	15.9
159.04109	1.7
159.08080	2.5
159.11707	16.7
161.09688	2.3
161.13264	15.5
161.14412	1.4
163.11269	1.4
163.14868	6.8
165.09158	1.8
166.07681	1.4
167.08658	1.2
168.09396	2.5
169.10165	9.3
170.10948	3.0
171.11699	22.0
173.13277	14.2
175.11275	1.7
175.14868	12.9
177.12807	1.9
177.16438	2.7
179.08618	1.2
179.14404	1.4
181.10193	2.4
182.10901	2.1
183.11720	15.6
184.12372	1.5
185.09695	1.3
185.13266	20.9
185.14787	1.4
187.11272	1.7
187.14818	10.1
189.12801	2.6
189.16399	11.9
193.10207	1.4
195.11780	4.3
197.13269	9.1
199.11224	1.7
199.14833	7.9
200.12041	1.2
201.12828	4.2
201.16467	4.4
203.14281	1.8
207.11797	2.2
209.13290	4.4
211.14822	5.6
213.03998	2.2
213.16394	5.9
214.18030	5.6
215.14359	12.7
215.17883	5.7
217.15910	2.5
218.13083	1.7
219.11670	1.2
223.14932	3.2
225.16496	6.4
227.14369	1.5
227.18037	5.3
229.16042	2.2
229.19545	2.3
231.05080	5.7
231.17572	1.5
233.15385	19.3
234.15804	1.2
235.14935	1.1
235.17030	2.2
237.16478	4.0
238.55115	1.2
239.18098	3.8
241.19458	7.2
243.17636	3.1
247.17076	4.2
249.16229	2.1
249.18706	1.2
251.17957	7.9
253.19489	5.3
255.17557	3.6
255.20987	2.4
259.16995	1.6
261.18463	5.2
265.19595	2.2
267.17892	1.7
267.21173	4.9
269.19009	20.3
271.16867	1.2
271.20746	1.5
273.18558	7.4
275.20245	2.3
277.19690	2.2
279.21262	3.0
281.19089	1.5
283.20709	2.1
285.18668	8.5
285.21854	1.7
287.20059	14.4
289.21729	5.0
291.21179	1.7
293.22760	1.7
295.20615	2.0
299.20050	3.0
301.21820	1.6
309.22119	7.0
321.22137	1.4
327.23373	2.8
335.23819	2.2
339.23242	1.7
344.24487	4.5
349.25394	2.0
367.26691	1.3
375.30545	7.5
377.32224	1.9
387.30481	7.4
393.31674	3.9
405.31583	34.2
406.31891	1.1
412.79306	1.2
423.32611	82.1
424.33023	3.5
441.33627	2.6
462.23712	1.7
592.29694	2.9
627.40198	1.4
641.37067	1.3
645.39941	7.6
653.36554	1.9
671.37903	13.1
689.38989	100.0
690.39215	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	689.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05522	1.0
57.03445	0.8
67.05502	2.3
69.03422	1.0
69.25520	5.7
74.02073	0.7
79.05503	4.2
80.05013	1.8
81.03422	1.5
81.07051	2.0
82.06573	2.0
83.08636	0.8
85.02905	1.5
87.88975	0.7
91.05499	4.6
93.07056	10.0
94.06582	9.2
95.04976	1.6
95.07379	8.3
95.08606	3.2
95.09986	0.8
96.08147	15.9
97.02893	0.9
97.06539	1.9
98.20701	1.6
99.04470	1.1
103.05473	2.5
105.05797	1.1
105.07069	1.4
106.06564	1.0
107.04961	0.9
107.08578	1.7
108.08131	9.5
108.08852	1.1
109.02854	1.0
109.06523	1.0
109.10197	1.1
110.09693	28.3
116.10661	0.9
118.06589	1.0
119.08620	1.7
120.08121	36.3
121.10169	1.0
121.52332	0.7
122.06100	0.8
122.09679	2.2
123.06880	0.9
131.07359	2.1
135.11755	1.0
136.07588	2.9
138.09160	51.9
145.10136	1.6
146.05922	0.7
146.09653	3.0
147.11723	1.4
148.07564	4.2
150.09164	1.4
161.13298	1.1
163.11212	1.6
165.09077	1.2
166.08658	34.5
174.09181	5.8
192.10165	1.7
195.09225	0.9
204.10384	1.0
212.16502	1.2
214.18124	0.9
220.09738	2.0
223.08821	1.6
225.10301	1.3
227.12828	1.1
236.09253	0.8
237.06618	2.1
237.10309	1.2
237.21138	0.7
251.08170	4.6
253.09819	1.3
255.07851	1.0
263.08313	1.0
265.06076	2.4
265.09561	0.9
277.09772	0.9
279.07626	1.7
281.09290	1.4
283.07199	1.2
283.15408	2.3
284.15863	1.7
297.08606	1.6
300.11475	1.4
301.12451	1.0
302.13022	0.9
307.07312	0.9
313.12842	0.7
315.13986	1.1
316.11060	1.4
316.14520	2.0
317.11517	0.9
325.08304	1.2
328.11105	1.0
329.12064	2.5
330.12390	1.6
330.16013	0.8
332.10593	0.9
340.14648	1.0
342.12390	1.3
343.13593	0.8
344.10468	2.0
344.14178	3.9
356.10376	1.6
356.14261	1.1
357.11066	2.4
358.11859	3.2
358.15814	1.5
359.12540	1.6
360.13306	1.0
362.15170	0.8
368.14041	2.1
371.12900	1.9
372.09518	1.1
372.13538	8.2
373.14297	1.0
374.15265	1.0
376.12592	1.0
382.11874	1.3
385.10507	0.9
386.15054	8.2
387.11963	0.9
388.12613	1.5
388.16943	1.3
390.14587	1.4
396.13574	2.6
398.10910	1.0
399.11987	1.4
400.12964	18.0
404.12079	1.7
406.13885	2.2
413.13904	1.3
414.14514	19.2
415.15244	2.0
416.16214	9.5
418.14215	2.4
432.15613	5.5
442.08084	0.9
442.14059	10.7
446.16891	0.9
459.14307	2.0
460.15079	100.0
461.15210	4.4
474.16733	0.8
478.16098	14.4
491.17142	0.9
492.17728	39.5
492.25455	1.7
493.18146	2.0
493.28299	1.3
551.22675	1.5
563.21820	0.8
579.22430	4.1
581.23840	3.3
593.24237	0.9
597.23352	6.5
604.05414	0.7
607.21625	4.0
611.25110	6.3
625.22974	15.9
626.22601	1.0
629.26154	1.8
639.24506	13.7
640.23907	0.9
643.27020	4.4
657.25507	2.2
661.28650	2.2
671.27020	2.0
689.26978	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	689.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01875	1.4
55.05523	4.2
57.03429	1.5
60.92771	0.8
67.05508	11.3
69.03432	1.9
69.07060	2.4
70.09254	3.4
71.04974	0.7
74.63206	0.7
79.05503	8.0
81.03424	8.3
81.07062	9.4
83.04967	1.4
83.08627	1.9
85.02921	1.9
91.05492	7.2
92.62850	0.8
93.07062	7.4
95.04971	6.4
95.08616	6.2
97.02865	1.3
97.06548	1.1
103.03941	1.2
105.07040	4.5
107.04945	2.1
107.08588	4.3
109.02839	1.8
109.06474	1.3
109.10151	1.6
111.08050	0.9
117.07011	2.8
119.08582	3.8
121.10157	3.7
123.04416	2.9
123.08035	0.9
123.11707	1.0
129.07005	2.2
131.08549	2.5
133.10115	3.5
135.11691	2.6
143.08566	1.6
145.06525	1.0
145.10114	2.1
146.85788	0.8
147.04338	1.0
147.08141	1.1
147.11685	2.5
149.13283	1.1
155.08636	0.7
157.10133	2.3
159.11703	2.3
161.42798	0.8
163.03915	1.8
163.11165	1.4
165.12743	0.9
169.10144	1.1
171.11610	1.0
173.04575	1.1
175.11166	1.2
182.20491	0.8
184.07391	1.1
193.12251	2.1
199.87981	0.9
211.13242	2.9
235.13248	2.8
259.13333	1.0
261.22211	0.9
267.15881	0.9
273.14819	1.1
301.14371	2.6
303.15457	1.1
335.25873	3.8
375.18045	1.4
384.12289	1.6
390.15192	0.9
393.19138	0.9
397.13187	1.7
398.13855	7.6
399.14496	5.5
400.16330	7.9
403.15366	0.8
411.14465	2.9
412.15408	9.0
413.16086	13.2
414.16776	1.8
416.14828	2.3
417.15710	1.3
418.17465	3.4
425.16315	2.4
426.17392	4.2
427.17819	11.3
428.18674	14.7
429.19348	1.7
440.13736	1.4
441.15738	3.3
444.14188	1.0
445.18686	1.1
446.17191	1.5
453.15326	1.1
454.16226	1.4
455.17215	42.7
456.17789	5.7
457.15198	2.8
458.15759	6.9
459.16782	7.3
469.14868	1.4
471.16479	3.0
472.17175	3.0
473.17950	1.1
483.16687	36.4
484.16879	3.6
486.18973	3.6
487.14999	0.9
487.20703	6.6
488.17029	1.6
495.16489	1.9
497.18280	1.4
499.16446	1.7
500.18649	0.8
501.17648	2.8
509.17798	1.1
510.18094	1.1
515.19183	5.4
516.19470	2.1
523.16113	3.5
527.15021	8.3
527.37317	2.2
528.15710	1.4
537.17328	0.9
538.18237	4.3
541.20337	1.6
555.18750	2.8
569.20258	3.9
570.20807	15.9
571.20581	1.4
574.24207	14.5
587.21399	2.7
597.19751	1.4
601.23157	10.9
602.23767	100.0
603.23822	7.8
612.21729	1.5
629.22491	26.7
630.22888	6.3
633.25897	4.2
635.39117	1.6
643.23944	4.6
653.39172	1.0
657.11316	1.3
657.21948	18.4
658.21912	1.7
661.24957	5.9
689.24677	10.9
689.42316	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	689.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28142	0.7
57.07064	1.8
67.05498	3.7
68.15274	0.8
69.03430	1.0
69.07076	1.1
78.07192	0.7
79.05470	1.8
81.03403	2.4
81.07049	3.1
87.04460	1.1
89.06030	6.6
91.05497	2.7
93.07027	2.6
95.04977	0.8
95.08614	2.3
97.02869	1.0
99.76271	0.7
105.07024	1.0
107.08624	1.6
109.02818	0.9
109.10159	0.9
117.06983	1.3
117.61771	0.7
119.08616	1.3
121.10181	1.3
124.56390	0.7
131.08475	1.0
133.08612	3.7
133.10080	1.2
145.10115	1.0
147.11707	1.4
149.58368	0.7
177.11198	2.0
184.07336	1.4
191.42525	0.9
291.15341	0.9
310.14551	0.8
370.10446	1.0
384.12402	3.1
385.13092	4.9
386.13992	1.4
393.12659	0.9
397.13113	1.9
398.13788	9.2
399.14578	14.1
400.15500	19.2
401.16080	1.1
411.14435	1.7
412.15497	8.6
413.16104	17.2
414.16986	10.4
416.14789	2.7
418.17496	2.2
424.15311	1.2
426.17480	3.9
427.12985	2.3
427.18372	13.2
428.18518	18.1
429.19553	12.2
437.16544	1.1
439.17935	1.2
440.14545	1.2
441.14923	7.1
442.16254	12.5
444.14001	1.1
446.16913	2.1
453.15619	1.2
455.17175	32.5
456.17593	19.0
457.18658	1.4
458.15659	4.7
459.16498	5.8
460.17050	2.5
469.15216	2.7
470.19797	1.2
471.16571	1.3
472.17358	1.6
482.15506	1.5
483.16696	28.1
484.16760	12.2
486.18680	1.7
487.16074	3.7
487.20569	1.0
488.16422	3.0
495.16714	2.4
496.17163	1.2
497.17859	0.9
499.16107	8.8
500.16531	3.0
501.17383	1.4
511.19595	3.5
513.13263	1.2
514.18207	1.1
515.19617	1.7
516.19904	1.4
523.16058	1.5
527.15582	28.7
527.37256	1.5
528.15887	22.0
529.15686	1.6
538.18457	1.0
539.19232	12.2
541.17407	1.3
542.21362	1.2
543.22516	16.9
544.22430	1.4
555.18353	1.5
571.21906	100.0
572.22260	7.1
574.24310	7.7
586.20349	1.9
587.20703	3.0
601.22949	7.2
602.23749	32.7
603.23346	2.4
615.20764	4.5
617.25745	3.6
629.22473	34.1
630.22748	65.8
631.22516	7.2
633.25482	1.4
643.23816	1.2
657.21924	56.7
658.22046	4.8
661.24805	4.4
689.24701	16.1
689.40826	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	688.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.8
57.03182	1.0
57.03441	12.0
57.07077	1.8
59.05003	3.0
61.02944	4.1
62.44415	0.9
65.03947	1.2
67.05511	78.2
69.03387	0.8
69.06783	0.8
69.07079	10.8
69.35851	3.1
69.36283	4.6
71.04993	2.4
72.71281	0.8
73.02898	1.1
79.05500	9.7
81.07065	31.8
81.73785	0.8
83.04977	1.1
83.08627	9.5
85.02897	3.3
85.06544	2.2
86.09699	1.0
91.03954	1.6
91.05480	7.6
93.07068	8.0
95.04974	1.4
95.08049	1.5
95.08619	23.1
95.64709	0.9
97.02873	1.7
97.06546	1.7
97.10173	4.7
105.07039	2.7
107.08584	3.7
109.10163	65.2
111.08068	3.9
119.08596	6.6
121.10176	4.1
123.11700	3.2
125.09651	1.1
131.08559	0.8
133.10138	2.8
135.11717	1.4
137.09615	3.2
137.13223	1.9
147.11768	1.2
149.13210	1.2
155.10678	4.3
161.13300	1.7
163.14769	0.9
173.11748	15.4
184.07397	4.3
189.16125	1.0
227.12695	1.3
229.14374	100.0
230.14610	1.0
245.22684	2.3
263.23633	4.4
272.13663	0.9
337.27396	61.7
338.27631	2.1
491.37341	43.7
492.37665	1.8
509.38635	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	688.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.3
57.03435	13.3
57.07081	3.5
59.04999	3.3
60.73332	1.2
61.02926	5.3
65.03932	2.6
66.59724	1.1
67.05508	100.0
68.28236	1.1
69.03435	2.4
69.07069	16.8
71.05006	3.7
72.56350	1.2
73.02897	1.0
79.05495	12.6
81.03435	1.4
81.07059	48.4
83.08626	14.4
84.06941	1.3
85.02911	5.3
85.06565	1.4
89.06058	1.9
91.03962	2.5
91.05480	11.1
93.07062	9.7
95.04974	1.6
95.08610	31.8
97.02903	3.1
97.06546	2.7
97.10176	4.7
99.08105	1.7
105.07061	4.1
107.08614	9.2
109.10162	77.5
111.08088	4.2
119.08576	9.7
121.10169	4.5
123.11711	3.5
123.73980	1.0
124.71387	1.1
133.08635	1.4
133.10136	3.9
135.11681	1.9
137.09610	2.9
137.13332	1.8
145.10138	2.1
147.11693	3.4
155.10689	5.1
161.13332	2.7
163.14954	1.5
173.11761	18.5
184.07458	1.4
199.36552	1.1
202.94206	1.2
227.12885	2.0
229.14366	95.6
245.22702	2.3
263.23700	4.4
299.29297	1.2
337.27380	82.9
338.27646	1.4
349.39523	1.2
353.02289	1.4
491.37354	79.1
492.37473	2.7
554.72974	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	688.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71964	0.8
51.02387	0.9
53.03939	1.9
54.27914	0.7
55.01878	5.1
55.05291	1.2
55.05517	11.2
57.03444	6.9
58.49750	0.8
59.04993	1.5
61.02939	1.9
67.05512	11.6
69.03435	3.3
69.07065	6.3
70.06567	1.0
71.04986	3.3
71.58849	1.0
73.02917	1.8
79.05058	1.5
79.05496	20.1
81.03420	7.2
81.06588	1.0
81.07060	17.3
83.01337	5.6
83.04984	6.8
83.08612	9.1
85.02922	5.9
86.06071	2.8
91.05480	9.9
93.07056	24.9
95.04982	6.9
95.08039	1.6
95.08615	20.3
97.02900	4.2
97.06519	3.9
97.10175	1.5
99.04458	3.3
105.07036	10.1
107.04961	7.4
107.08605	17.4
109.02884	1.6
109.06544	4.6
109.10165	3.5
111.04476	1.3
111.08062	1.4
116.10742	2.3
117.07016	8.1
119.08586	10.7
121.06508	4.6
121.10151	9.3
123.04465	1.0
123.08059	5.6
124.07634	1.4
125.06036	1.9
127.03982	1.3
129.07005	1.1
130.07851	1.4
131.08574	3.4
133.10146	3.4
135.04503	1.1
135.08069	2.0
135.11702	27.6
137.09637	1.0
139.07584	1.3
142.08670	1.3
143.08620	1.2
145.06526	1.0
145.10129	22.3
147.08061	0.9
147.11681	1.3
151.11188	1.0
153.12827	1.6
155.08475	0.8
157.10118	1.7
161.09650	1.0
163.03896	1.5
163.11194	43.1
165.09164	1.6
166.09532	0.9
173.09648	2.5
175.11209	0.9
181.12228	8.6
191.10710	1.9
193.12268	1.0
209.11676	5.1
212.16461	7.1
227.12793	31.1
236.16444	1.6
254.17549	1.7
256.19122	2.8
267.15866	1.5
272.18698	1.8
283.15408	100.0
284.15631	1.4
284.64609	0.9
303.66644	0.9
306.51242	0.9
317.14871	1.1
318.15247	1.0
424.30426	1.2
440.30084	2.4
491.26419	79.3
492.26639	3.3
566.20941	1.0
590.27588	1.4
599.31335	0.8
688.35791	3.0
693.54395	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	688.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01878	4.9
55.05515	10.9
57.03439	9.2
57.07061	0.9
59.05009	2.1
61.02935	2.8
65.03922	0.5
67.05174	0.6
67.05510	8.2
69.03415	1.9
69.07063	2.7
71.01336	0.9
71.04997	2.5
71.58763	0.4
73.02899	0.9
79.05497	13.3
81.02973	0.7
81.03421	8.3
81.06582	0.6
81.07062	12.6
83.00894	0.5
83.01347	7.4
83.04988	8.2
83.08151	0.4
83.08630	7.8
85.02911	5.4
85.06547	0.7
87.00850	0.5
91.03957	1.3
91.05489	8.6
93.06468	0.8
93.07050	16.1
95.04984	4.9
95.08052	0.5
95.08614	6.1
97.02914	4.2
97.06538	2.6
97.10158	1.1
99.04473	2.5
104.11612	0.4
105.07036	6.6
107.04961	5.2
107.08598	11.3
109.02884	1.3
109.06534	4.9
109.10162	1.6
111.04446	1.8
111.08051	1.4
115.05434	0.5
117.07024	6.1
119.08588	6.5
120.44857	0.4
121.06499	2.5
121.10147	5.7
123.08071	6.6
125.05991	1.4
125.09642	1.0
127.03898	1.6
128.04268	0.4
129.06999	1.2
130.07759	0.7
131.08575	3.1
133.10117	1.6
135.08057	1.5
135.11707	8.4
137.09644	1.2
139.07410	0.4
143.08549	0.7
145.06427	0.6
145.10130	12.6
146.10468	0.6
147.08029	1.8
147.11693	0.5
149.09628	0.8
153.12752	1.9
155.08519	0.9
163.11189	18.8
173.09612	2.6
181.12245	2.7
184.24480	0.4
191.10750	2.1
197.26714	0.5
207.17583	0.5
209.11726	5.9
212.16458	1.8
227.12770	3.9
236.16554	0.6
254.17548	0.9
272.18509	0.9
283.15408	100.0
284.15747	2.3
422.31097	0.7
440.30563	1.0
471.53387	0.5
476.24982	0.4
491.26425	46.9
492.26660	1.9
493.75867	0.5
527.48468	0.5
688.37439	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	687.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	3.3
53.03948	13.5
55.01872	11.9
55.05260	1.9
55.05517	32.0
57.03437	6.1
57.07079	3.9
59.04997	3.2
65.03941	7.0
67.05508	68.2
67.05871	3.8
67.62642	1.3
69.03436	24.7
69.07076	16.4
70.94240	2.5
70.94579	2.6
71.01376	1.8
71.05000	9.6
75.41909	1.7
79.05495	77.4
81.03423	88.6
81.07059	66.4
83.01347	4.9
83.04988	25.1
83.08630	14.7
85.02885	7.5
85.06550	3.2
91.05481	53.5
93.07050	77.6
95.04977	17.0
95.08611	40.6
95.09221	1.7
97.02900	21.3
97.06539	9.3
97.10175	9.7
99.04474	11.1
103.05460	3.2
103.31888	1.6
105.04537	4.1
105.07038	34.7
107.04967	14.9
107.08600	42.3
109.02893	18.3
109.06526	7.3
109.10160	16.2
111.04446	11.9
111.08096	6.2
115.05468	3.0
117.07028	16.8
119.08599	25.7
121.06538	4.4
121.10144	28.2
123.04478	5.0
123.08096	5.1
123.11730	4.5
125.09636	6.1
127.03931	12.4
128.06264	2.5
129.07031	7.0
130.07846	2.0
131.04935	1.7
131.08571	25.7
131.09486	1.8
133.06577	1.9
133.10132	19.7
135.08061	4.3
135.11688	26.8
137.09619	2.4
141.07007	2.7
142.07803	1.7
143.08600	8.3
145.05069	1.7
145.06458	2.5
145.10112	22.2
147.08073	3.8
147.11702	10.8
149.09673	4.6
149.13280	5.6
153.12752	9.5
155.08588	7.1
157.10159	5.6
159.11693	9.5
161.09656	3.6
161.13298	5.0
163.11186	24.6
167.08543	2.6
169.10176	3.8
171.11760	4.2
173.04536	1.7
173.09683	6.5
173.13275	4.5
175.14864	2.2
181.12317	9.2
183.11681	2.6
185.09717	2.2
185.13290	4.3
187.14790	3.5
189.11205	3.0
191.10619	7.8
193.12309	1.7
195.11858	2.3
199.14783	2.2
201.16440	2.3
201.83475	1.9
207.90981	2.0
209.11650	8.0
211.13249	1.7
227.12759	18.7
261.22070	7.4
283.15500	5.8
301.21738	2.3
317.24847	1.9
335.25995	4.2
339.23038	2.0
351.23349	5.5
353.16022	19.0
369.24399	6.9
385.23196	2.0
387.25607	2.9
405.26636	2.0
409.18549	2.0
515.37518	3.2
541.34113	2.2
543.36365	3.6
651.39606	2.7
669.39606	5.7
687.40991	100.0
688.41467	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	687.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41098	2.1
53.03954	12.3
55.01867	6.3
55.05511	8.5
57.03428	7.7
61.02923	5.1
67.05508	16.6
68.99784	3.3
69.03433	47.5
69.07076	8.2
70.06583	2.1
70.15044	5.2
70.15445	2.8
71.05006	11.3
73.02880	3.5
79.05492	14.5
79.64240	2.1
81.03422	48.2
81.07059	25.4
83.04962	3.9
83.08624	6.1
85.02911	70.5
86.06055	2.2
87.00831	24.6
89.03918	2.7
91.05474	17.3
93.07045	30.9
95.04965	5.0
95.08607	37.9
97.02906	22.7
97.06528	8.7
97.10181	3.1
99.04457	23.2
104.62186	2.1
105.01868	17.8
105.07035	32.6
107.08601	43.1
109.02885	39.7
109.06527	8.0
109.10159	23.9
111.04439	2.8
111.08083	6.2
115.05502	3.3
117.03402	2.3
117.07013	8.2
119.08585	40.9
121.06506	8.0
121.10150	24.5
123.04424	3.1
123.08083	5.9
123.11727	5.7
124.66904	2.2
125.09632	9.6
125.69322	1.9
127.03924	100.0
129.06985	7.4
131.08583	27.3
133.06415	2.1
133.10139	22.0
135.04410	4.6
135.08072	16.9
135.11708	10.7
137.09645	9.3
141.07004	2.9
143.08603	19.5
145.02960	3.6
145.04958	10.9
145.06541	2.1
145.10127	36.8
147.08040	11.3
147.11711	15.4
149.02319	2.4
149.09645	6.0
149.13310	6.7
151.11206	3.4
153.59923	1.9
155.08556	7.8
156.09402	5.6
157.06526	2.9
157.10126	20.8
158.11131	2.1
159.02895	5.0
159.08081	22.3
159.11705	18.5
161.09619	23.5
161.13286	9.6
163.03905	7.8
163.11148	2.1
163.14796	8.2
165.09100	4.2
169.10165	12.6
170.10982	2.7
171.08073	7.1
171.11705	15.6
173.04504	3.6
173.09639	15.0
173.13281	18.1
175.11169	10.3
175.14917	10.6
177.05518	7.2
177.12798	3.7
177.16380	3.3
179.08511	3.0
181.10100	4.3
182.11034	2.8
183.11705	16.7
185.09575	13.2
185.13303	13.4
187.06039	7.2
187.11182	9.7
187.14845	17.9
189.12782	8.0
189.16444	4.5
191.14401	3.5
195.11673	5.0
197.09625	2.6
197.13361	9.7
198.10362	2.7
199.11163	6.0
199.14803	7.4
201.12753	14.4
201.16379	11.0
203.14337	64.4
203.18076	3.5
205.15834	5.1
209.13297	5.5
211.11203	4.5
211.14870	6.5
213.03987	13.2
213.12740	7.2
213.16389	12.8
215.14288	11.3
215.17975	6.5
217.15927	14.6
221.15443	3.4
223.14867	4.6
225.12718	3.3
225.16405	4.6
227.14363	7.1
227.17902	6.5
229.15935	12.4
231.05000	19.7
231.17442	10.0
237.16393	3.6
239.17902	4.2
241.15820	2.8
243.17532	8.2
251.17883	5.1
253.15956	5.2
253.19542	7.9
255.17459	5.1
255.21098	3.4
257.19022	5.4
263.18048	3.4
265.15866	3.0
267.17453	2.5
267.21100	2.6
269.18924	4.6
283.20624	4.1
295.20688	2.5
309.22037	2.7
311.23645	4.4
323.23538	3.6
347.23584	2.5
351.23236	6.2
363.26865	5.0
373.28738	3.0
391.29825	4.9
403.30057	21.2
421.30939	73.4
422.31110	3.4
439.32068	84.0
440.32294	5.1
651.34906	3.3
669.36517	6.6
687.37421	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	687.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.01870	5.9
55.05504	6.9
57.03419	3.3
61.02954	4.0
67.05505	13.9
68.58308	2.5
69.03428	27.6
69.07065	11.2
73.02917	4.9
79.05518	8.8
81.03432	23.8
81.07058	24.9
83.04980	4.5
85.02918	25.3
85.06516	3.0
87.00829	9.7
87.04458	3.0
91.05486	8.8
93.06527	2.7
93.07053	13.9
95.08605	38.7
97.02901	12.6
97.15311	2.5
98.21524	6.0
99.04469	8.3
105.01865	5.9
105.07027	13.9
107.08609	20.2
109.02879	19.4
109.06523	7.3
109.10176	13.2
117.07063	6.9
119.08610	17.5
121.06519	3.8
121.10162	14.4
123.04361	3.7
123.08104	5.5
123.11731	5.1
126.89188	3.0
127.03925	19.9
129.01875	3.6
131.08603	8.6
133.10167	12.8
135.11736	14.6
137.13289	8.2
141.07027	4.3
143.08586	9.7
145.04974	6.3
145.10170	10.3
147.04436	4.1
147.08102	4.7
147.11743	10.8
149.13281	6.1
155.08574	4.3
157.10161	12.9
159.02968	8.7
159.11716	11.1
161.09688	4.1
161.13300	6.6
163.03963	3.6
169.10167	12.7
171.11716	8.7
173.09627	3.7
173.13333	3.8
175.11293	4.0
177.12799	4.7
183.11710	15.7
185.13310	5.4
187.11224	4.1
189.12778	6.3
189.16333	5.9
193.12262	4.4
195.11732	3.9
197.13284	5.7
199.11331	4.3
199.14784	4.2
201.12827	6.2
203.14386	3.6
209.13361	5.4
211.11270	3.6
212.16504	4.3
213.12851	5.1
213.16336	5.4
215.14456	3.8
223.14825	3.1
227.14374	4.1
227.18111	3.5
241.09772	3.2
241.15927	4.2
243.13850	6.3
254.17485	3.3
255.13992	3.8
260.15189	2.8
267.17392	3.9
271.16971	5.1
283.17236	21.5
285.18591	6.1
353.15277	3.0
403.30103	12.7
421.30978	98.6
439.32178	10.7
520.66510	3.5
643.38593	14.3
669.36761	10.3
687.37445	100.0
688.37750	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	687.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01864	3.0
55.05514	2.5
57.03436	2.8
57.07054	1.1
59.04982	0.6
59.31236	0.4
61.02933	2.1
65.03933	0.6
67.05507	4.2
68.99802	2.1
69.03431	20.9
69.07063	2.5
70.06609	0.4
71.05007	2.5
71.60146	0.5
72.72851	0.4
73.02925	3.0
77.54008	0.4
79.05487	3.5
79.29494	0.4
80.81754	0.4
81.03423	15.6
81.07059	6.4
83.01341	0.6
83.04977	0.8
83.08601	0.8
85.02911	33.6
86.06036	0.8
87.00835	10.3
91.05486	3.8
93.07047	6.4
95.04977	1.3
95.08041	0.7
95.08609	9.7
97.02895	10.2
97.06528	1.6
97.10188	0.7
99.04466	7.2
99.08086	0.5
103.03961	1.1
103.05426	0.6
105.01872	8.8
105.07042	8.8
107.04979	0.6
107.08600	11.0
109.02889	14.6
109.06542	1.1
109.10162	5.1
111.08094	1.3
115.03973	0.8
116.10715	0.7
117.01869	0.7
117.03359	0.5
117.07027	1.0
119.04919	0.5
119.08582	9.4
121.06514	1.7
121.10149	6.2
123.04431	0.7
123.08076	1.7
123.11711	1.6
125.02365	0.5
125.09612	3.3
127.03925	26.9
128.06175	0.5
129.01860	2.3
129.06985	1.5
131.04948	0.7
131.08560	4.6
133.06511	4.3
133.10144	6.8
135.04434	0.9
135.08064	8.1
135.11716	2.9
137.09604	1.9
141.06944	0.5
142.07777	1.0
143.08557	2.3
144.09366	0.5
145.02884	1.4
145.04961	6.0
145.06525	0.7
145.10127	6.7
147.02898	1.2
147.04451	0.7
147.08047	4.8
147.11694	4.1
149.09622	2.1
149.13234	1.4
151.11234	1.1
155.08531	1.2
157.06512	0.8
157.10117	4.3
159.02888	5.2
159.08063	5.9
159.11702	4.2
161.09637	8.5
161.13252	2.6
163.03922	4.7
163.11224	1.3
163.14795	0.8
165.09193	1.0
165.12691	0.6
169.10109	1.5
170.10915	0.7
171.08028	1.2
171.11719	3.5
173.04556	0.7
173.09630	3.4
173.13277	3.0
174.10405	0.8
175.11201	5.5
175.14812	3.6
175.71413	0.4
177.05490	1.6
177.12802	2.4
177.16310	0.7
179.14369	0.5
183.11717	1.9
185.09601	1.9
185.13235	2.4
186.10458	0.7
187.05986	1.0
187.11203	2.2
187.14749	2.8
188.11977	0.7
189.03949	1.3
189.12744	2.9
189.16417	1.9
191.14304	0.8
193.15923	1.4
197.13289	1.9
199.11211	2.0
199.14867	2.3
201.12733	3.6
201.16382	2.4
203.14333	19.0
203.17931	1.0
205.15872	1.0
207.11807	0.5
209.13220	0.8
211.14850	1.6
213.03851	2.2
213.12747	1.4
213.16344	2.3
215.14275	2.9
215.17928	1.4
217.15903	8.3
221.15486	0.5
223.14751	1.0
225.16440	1.0
227.14365	1.3
227.17957	0.8
229.15921	5.5
231.05017	6.3
231.17378	1.2
233.18947	0.6
237.16331	0.5
239.14192	0.8
239.18018	0.7
241.15913	2.7
243.17470	2.9
249.06129	0.6
251.18071	0.6
253.15880	0.8
253.19679	0.6
255.17546	1.1
255.20976	0.5
257.19016	1.3
265.16144	0.5
267.21240	0.5
269.19016	1.4
278.61948	0.4
279.20953	0.7
281.19070	0.6
283.20593	0.6
285.22232	0.7
295.20578	0.9
297.22171	2.6
309.22073	0.5
311.23660	0.9
323.23633	0.6
333.21814	0.5
351.23267	1.3
361.85254	0.5
363.26889	0.7
391.30118	1.0
393.31436	0.8
396.26965	0.6
403.29910	4.8
409.31097	2.0
421.30978	22.1
422.31104	1.3
439.32089	100.0
440.32465	4.0
491.46091	0.5
602.81854	0.4
651.35193	0.9
669.36023	0.7
687.28082	0.5
687.37494	6.1
688.36334	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	687.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97919	0.7
53.03903	4.6
55.01870	4.2
55.05518	4.3
57.03390	3.5
57.07060	1.5
61.02879	2.5
64.74387	0.7
65.03922	0.9
67.05503	7.8
68.99745	2.4
69.03434	19.7
69.07070	10.4
71.04941	3.1
71.34137	1.6
73.02914	4.7
77.03895	0.7
77.47432	0.7
79.05495	5.6
81.03426	18.8
81.07059	17.2
83.04969	1.5
83.08577	1.7
85.02912	27.5
87.00832	10.1
91.03903	1.1
91.05492	7.9
93.07057	12.2
95.04914	2.1
95.08608	22.1
97.02903	11.9
97.06477	1.2
97.10135	1.6
99.04456	5.9
99.08034	2.5
101.02394	0.8
103.05392	0.9
105.01872	6.7
105.06403	0.8
105.07033	11.2
107.04938	0.9
107.08593	17.2
109.02888	15.7
109.06493	2.0
109.10156	11.7
111.08020	1.1
117.01855	1.7
117.06979	3.2
119.07817	0.9
119.08588	15.0
120.08035	1.1
121.06442	1.4
121.10146	10.7
123.08017	1.1
123.11713	5.5
125.09594	1.4
127.03921	23.6
128.06178	0.9
129.01784	2.2
129.06987	2.6
131.08575	7.2
133.06447	1.5
133.09254	0.8
133.10146	10.7
135.07993	0.9
135.11707	10.5
137.09673	0.7
137.13283	6.4
141.06935	2.1
143.08588	5.2
145.04985	6.3
145.06454	2.3
145.10136	10.2
146.07156	0.9
147.02870	1.0
147.08069	3.9
147.11678	7.2
149.09579	1.4
149.13277	4.9
151.11145	1.2
151.14754	1.1
154.07648	0.9
155.08575	4.3
156.09277	1.5
157.06448	2.8
157.10127	9.7
159.02893	7.2
159.08116	3.6
159.11687	6.9
161.09549	3.1
161.13280	5.5
163.11134	1.0
163.14842	8.3
165.12637	1.4
167.08522	1.8
168.09276	0.8
169.10149	8.6
171.08047	2.0
171.11731	4.8
173.09637	5.3
173.13255	4.6
174.10336	1.1
175.11115	2.2
175.14792	3.7
177.12700	1.7
177.16293	1.5
179.08452	0.9
181.10066	2.2
182.10841	1.3
183.11711	9.9
184.08769	0.8
185.09618	3.0
185.13297	3.9
187.05949	1.0
187.11217	5.1
187.14796	3.9
189.12726	4.1
189.16428	3.6
191.17957	1.0
193.10153	1.4
193.12213	2.3
195.11665	2.4
196.12541	1.0
197.09467	1.0
197.13271	5.6
198.13980	1.6
199.11188	6.0
199.14827	5.0
201.12840	4.5
201.16383	1.2
203.14320	1.5
203.17911	1.2
208.12547	0.7
209.13168	3.1
211.11166	1.7
211.14809	3.5
213.03880	1.5
213.12758	2.4
213.16316	3.9
214.13480	0.7
215.14413	1.2
215.17966	2.1
217.12248	1.7
217.15727	1.0
219.13751	1.6
223.11272	0.9
223.14764	2.8
225.12695	2.6
225.16362	7.0
227.14301	2.0
227.17938	3.3
229.15898	1.6
229.19518	1.3
231.04982	2.7
231.13818	1.5
231.17467	1.3
233.15436	1.1
235.14546	0.8
237.12579	0.9
237.16382	1.9
238.16977	1.2
239.14174	1.2
239.17947	2.9
241.15848	2.8
241.19594	1.3
243.13792	2.2
243.17390	2.5
245.15387	3.1
245.18941	1.1
251.14355	1.2
251.17992	1.4
253.15874	2.6
253.19569	8.6
255.17400	1.7
257.15366	1.7
257.18976	2.7
259.16968	2.0
263.17975	1.1
264.12030	0.9
265.15927	1.4
265.19452	0.9
267.17355	3.4
267.20877	1.1
269.15363	4.2
269.18896	1.8
271.16931	7.4
271.20465	2.0
277.19403	1.0
281.19208	0.8
283.16968	19.1
284.98398	0.7
285.18704	5.0
297.18658	1.9
299.20120	1.8
305.58533	0.8
307.20419	1.1
311.20065	1.3
325.21817	1.9
327.22940	0.8
337.21701	1.3
337.25479	0.9
351.23276	1.4
365.24649	1.3
378.25385	1.7
379.26279	1.2
403.29987	6.7
421.31030	100.0
422.31464	4.9
439.32074	9.4
473.29102	1.7
491.29910	0.9
541.08838	0.8
643.38531	8.1
669.37347	1.2
687.37372	57.0
688.38281	3.6
688.48724	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	687.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.0
51.24041	1.5
53.03949	9.5
55.01875	5.2
55.05518	5.9
57.03437	4.7
57.07084	2.5
61.02927	4.2
65.03960	1.7
67.05511	10.3
68.99798	5.5
69.03435	38.3
69.07078	13.8
71.04991	5.5
71.09328	3.2
73.02920	7.1
78.01588	1.6
79.05502	10.7
81.03419	36.1
81.07066	33.3
83.08590	3.3
85.02910	55.6
87.00836	22.4
88.52691	1.4
91.03961	1.8
91.05471	11.6
91.38489	1.4
93.07057	19.9
95.04965	3.3
95.08614	30.7
97.02898	22.2
97.10184	2.4
99.04468	12.2
99.08105	2.5
101.61130	1.8
105.01878	18.4
105.07040	14.4
107.08598	29.1
109.02885	32.7
109.06525	2.3
109.10168	13.3
117.01854	5.4
117.07051	2.9
119.08593	22.5
121.06553	4.4
121.10140	15.4
123.08111	2.2
123.11711	10.9
125.09608	2.6
125.49908	1.6
127.03934	48.8
129.01857	2.7
129.07050	4.1
131.08565	8.0
133.06485	3.1
133.10130	16.3
135.08083	3.0
135.11714	23.4
137.13255	11.4
140.40317	1.9
141.07013	2.6
143.08592	6.6
145.04987	12.4
145.06471	4.3
145.10127	14.5
147.02965	1.8
147.08049	6.7
147.11694	10.7
149.09648	6.4
149.13245	8.6
154.07857	1.7
155.08533	4.5
156.09419	3.4
156.25780	1.5
157.06526	2.7
157.10158	10.1
159.02899	15.9
159.08121	9.3
159.09236	1.5
159.11684	9.3
161.09630	6.4
161.13220	8.5
162.10356	1.8
163.14845	9.1
165.12766	1.7
169.10135	9.5
171.08041	3.8
171.11736	6.9
173.09677	8.6
173.13321	7.4
175.07585	2.9
175.11220	5.4
175.14857	8.1
177.12775	2.4
181.10187	3.6
183.11755	12.2
185.08171	1.7
185.09601	9.0
185.13213	7.3
186.10399	1.7
187.11212	8.7
187.14856	6.5
189.12801	14.0
189.16412	12.3
191.18019	5.8
195.11775	4.7
197.09625	2.0
197.13385	5.1
199.11166	12.0
199.14853	7.2
201.12814	8.5
201.16437	4.7
203.14333	9.4
207.11566	1.8
209.13301	3.2
211.11227	4.3
211.14853	5.6
213.12831	7.3
213.16415	6.1
215.14381	5.3
215.18010	5.7
217.12349	3.4
221.13104	2.1
223.14867	1.9
225.12848	2.6
225.16405	6.5
227.14384	4.3
227.17978	4.1
229.12267	2.6
229.15907	2.7
229.19646	2.5
231.05037	7.1
231.13814	8.3
231.17458	2.8
233.15416	1.8
237.12726	2.4
237.16461	3.4
239.14285	2.5
239.17975	5.5
241.15901	4.3
243.17534	2.5
245.15436	2.6
253.15994	5.3
253.19527	6.0
255.17529	3.3
257.18988	2.6
259.16995	5.9
265.15915	2.3
267.17474	12.0
267.20789	3.4
271.16934	6.3
279.17471	2.6
281.18988	2.0
283.16943	10.7
283.19785	1.8
285.18600	15.7
287.20056	3.5
293.19080	2.9
295.20282	2.2
297.18613	2.4
299.20081	3.1
307.20450	2.0
311.20099	2.8
325.21692	5.1
333.22430	1.8
337.21585	4.6
337.25336	3.2
351.23166	2.7
365.24927	2.1
375.30554	2.1
391.29907	4.7
393.31714	8.6
403.29932	21.9
421.31049	100.0
422.31601	4.6
439.32108	15.4
582.06537	1.6
643.37939	7.9
687.38043	60.8
688.37982	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	686.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.7
57.07080	34.8
59.05005	1.3
67.05489	2.6
68.52535	1.1
69.07079	5.5
70.78436	2.3
71.08634	30.9
73.06548	7.5
79.05476	1.5
81.07044	2.6
81.88244	1.1
83.08609	4.9
85.10182	18.9
87.04458	8.1
89.06036	100.0
89.96607	1.1
92.22076	1.0
95.08596	1.5
97.10146	6.6
99.11729	3.3
107.04974	1.6
107.07072	3.4
109.10168	1.3
111.11726	2.5
113.82082	1.1
117.09135	7.7
127.14822	1.6
130.08618	2.4
131.07016	1.4
133.08612	56.5
135.10167	1.4
141.16394	1.8
161.11761	2.7
162.85789	1.1
177.11226	24.9
201.65796	1.2
211.24156	2.2
221.13852	5.0
239.14909	1.3
255.26913	2.1
279.12314	2.3
283.17551	2.5
299.29391	7.2
308.97253	1.1
343.32077	3.4
364.33640	1.1
371.23047	1.5
445.18503	2.1
459.28033	2.6
669.51062	3.7
686.55048	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	687.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39734	0.8
53.03946	5.1
55.01868	3.0
55.05511	4.4
57.03443	5.7
57.07072	1.8
61.02949	4.3
65.03939	1.1
67.05523	6.0
68.99817	1.1
69.03433	27.1
69.07072	4.9
71.04998	4.7
73.02926	4.4
79.05521	5.0
81.03424	20.0
81.07063	11.4
83.04949	1.3
83.08625	3.3
85.02908	46.3
85.06567	0.9
87.00835	15.8
91.03931	1.4
91.05488	7.3
91.58499	1.0
93.07040	12.4
95.04960	1.5
95.08619	12.8
97.02893	15.8
99.04456	8.2
103.03953	2.7
103.05469	0.9
105.01871	13.5
105.07046	12.8
107.08605	21.7
107.09299	1.7
109.02883	21.7
109.06497	1.6
109.10165	14.5
111.08065	1.2
115.03967	1.3
117.01871	1.2
117.07027	4.3
119.08588	19.8
121.06532	2.2
121.10152	15.1
123.08094	2.6
123.11742	3.8
127.03927	34.4
128.06267	1.4
129.01823	1.8
129.07018	2.2
131.08578	8.2
133.06512	2.1
133.10144	14.4
133.11075	1.3
135.08083	3.0
135.11673	8.5
137.09648	2.1
137.13289	1.2
142.07826	1.2
143.08609	6.1
144.09308	1.5
145.04973	8.0
145.06499	3.4
145.10133	13.4
147.08060	11.6
147.11673	9.1
149.09639	2.0
149.13301	4.2
151.11221	3.2
155.08559	2.7
156.09375	2.1
157.10121	7.1
158.07246	1.1
158.10988	1.7
159.02933	3.7
159.08058	11.5
159.11681	11.9
161.09689	5.2
161.13245	4.9
163.11232	2.1
163.14880	2.2
168.09369	1.2
169.10170	3.2
171.08112	3.5
171.11708	4.5
172.08905	3.6
173.09647	9.8
173.13272	7.5
175.11212	6.0
175.14886	5.5
177.12726	2.2
177.16411	4.4
181.10144	2.2
182.10939	1.9
183.11740	6.4
184.08818	1.6
184.12483	1.2
185.09654	3.5
185.13318	5.8
186.10448	4.0
187.06050	3.2
187.11200	8.9
187.14836	6.5
189.03949	1.2
189.12752	4.9
189.16470	4.3
191.14401	1.0
193.10104	1.0
195.11713	2.2
197.09651	1.6
197.13254	4.3
199.11192	9.1
199.14842	5.5
201.12750	27.4
201.16420	2.2
203.14342	16.9
203.17924	1.1
205.15854	4.9
207.11739	1.9
207.17389	1.4
208.12564	1.0
209.13280	3.0
211.11227	2.0
211.14893	3.4
213.03906	0.9
213.12817	4.8
213.16461	4.1
215.14349	15.3
215.17847	5.7
217.15953	3.9
222.13977	1.5
223.14886	2.4
223.16975	1.2
225.12802	2.3
225.16479	2.9
227.14371	3.9
227.17924	1.3
229.15907	2.0
231.05017	6.5
231.17511	3.4
233.19206	1.3
237.16431	1.9
239.14272	2.3
239.18019	2.3
241.15828	4.5
243.17561	1.6
249.16489	1.4
251.14380	1.5
251.17995	1.5
253.15898	2.0
255.17506	3.9
267.17542	2.3
269.19095	4.0
271.20667	1.1
283.15369	1.2
309.22281	1.5
321.22186	0.9
323.23706	1.3
333.22156	1.1
363.26794	1.9
365.28690	1.2
385.29108	1.1
393.31754	1.7
403.29962	10.9
421.31039	51.0
422.31113	2.0
439.32095	78.2
440.32556	4.2
491.26868	1.4
601.37305	1.2
643.38373	4.0
687.37384	100.0
688.37988	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91451	0.8
52.07556	0.8
53.03926	1.3
55.05298	1.0
55.05514	10.8
57.03440	11.6
57.07067	2.0
59.04991	3.8
60.19775	0.8
61.02923	5.3
65.03936	1.6
67.05505	100.0
69.03430	1.9
69.07069	6.2
69.41766	6.8
71.04989	4.4
79.05057	1.6
79.05496	19.7
81.07057	34.8
83.08620	8.6
85.02905	3.6
85.06532	3.0
91.03943	1.7
91.05475	11.2
93.07050	23.2
95.04951	1.9
95.08609	25.7
97.06560	1.0
97.10139	1.6
105.07047	6.4
107.08599	13.8
109.10159	77.2
110.10478	1.0
111.08083	3.5
111.74945	0.8
117.07018	3.4
119.08583	10.4
121.10160	9.3
123.11677	3.3
125.09573	1.4
131.08566	7.4
133.10133	4.6
133.26012	0.9
135.11699	6.5
137.09616	3.1
139.11208	1.1
145.10121	3.5
147.11681	3.1
149.09622	0.9
149.13223	4.8
155.10657	7.2
159.11681	3.2
161.13225	3.2
163.14790	2.6
171.11740	1.0
173.11757	22.6
173.13243	3.0
177.16354	1.4
180.85600	1.0
187.14830	1.3
227.12827	5.7
229.14357	89.9
230.14639	2.1
243.21104	4.2
261.22144	15.6
317.24750	4.2
333.23880	1.0
335.25803	70.8
336.26178	1.9
397.31055	1.5
471.35071	1.0
489.35748	37.4
490.35831	2.0
507.36975	4.2
548.45502	0.9
573.12994	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	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
54.90871	0.9
55.05517	12.1
57.03445	12.1
57.07092	1.1
57.09929	0.8
59.05001	3.4
61.02935	4.5
65.03934	3.0
66.76067	0.9
66.96369	0.9
67.05510	100.0
69.03432	2.0
69.07074	8.3
69.56789	2.0
69.57195	3.9
71.04996	4.5
73.02944	2.0
75.13358	0.9
79.05499	24.9
81.07063	39.0
83.05031	0.9
83.08633	8.2
85.02913	3.5
85.06551	2.8
88.30148	0.8
91.03939	1.7
91.05480	14.4
93.07053	28.2
95.04969	2.4
95.08612	30.9
97.02883	2.4
97.06557	1.3
97.10188	2.9
99.08103	1.4
99.41487	0.8
101.08611	0.8
105.07039	7.7
107.08614	16.5
109.10164	72.3
111.08096	3.3
114.88643	0.9
117.07036	3.5
119.08591	10.4
121.10156	10.5
123.08083	0.9
123.11691	3.1
131.08586	6.8
131.14075	0.9
133.10173	4.6
135.11674	7.3
135.26398	0.9
137.09613	2.7
137.13225	1.0
137.88509	1.1
138.44502	1.0
145.10101	4.3
147.11697	3.4
149.13261	4.4
155.10686	6.6
159.11708	3.1
161.13293	2.6
163.14891	2.5
173.11794	19.0
173.13280	3.5
177.16457	1.5
187.14839	2.9
189.11316	1.0
199.60431	0.8
209.87517	1.0
220.42903	1.1
227.12772	2.2
229.14375	88.2
230.14905	2.1
243.21028	4.8
261.22159	18.5
317.24728	3.6
335.25824	81.5
336.26056	3.3
397.30762	1.2
489.35831	55.9
490.36133	3.3
507.36755	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	685.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17465	1.5
71.58940	3.0
74.13392	1.6
79.05477	5.7
81.07053	2.0
85.54606	1.6
91.05462	4.2
93.07043	5.7
94.06573	5.9
95.08582	1.9
97.06523	1.8
100.35995	1.7
103.05405	3.2
105.07037	1.9
108.08121	6.1
116.05016	1.9
118.06547	4.9
120.04437	2.8
120.08099	30.7
120.25793	1.9
122.06028	7.1
122.09669	2.3
134.06010	2.3
136.07588	16.3
138.09152	3.1
142.16809	1.7
144.04424	1.9
146.05989	4.2
148.07573	57.9
162.05495	2.7
164.07071	4.7
172.03979	7.6
172.07559	3.0
190.04974	2.4
195.09105	2.9
196.09888	2.8
197.10722	2.9
204.06520	14.1
208.09946	2.4
209.10715	14.6
210.11436	8.9
211.12236	12.2
212.09300	1.9
212.13084	2.6
213.10234	2.1
220.10081	2.3
221.10747	3.0
222.11420	3.7
223.12263	16.5
224.09340	3.2
224.13060	7.4
225.10284	3.5
233.10754	3.7
235.08664	2.1
235.12291	6.3
236.09436	11.8
236.13133	3.8
236.55032	1.8
237.07907	1.2
237.10216	32.8
238.10977	13.4
239.11780	24.4
241.13351	3.5
247.12366	2.8
248.09488	6.6
248.13005	2.6
249.10199	18.0
250.10985	9.3
251.11804	59.2
252.12527	5.2
253.13278	2.3
255.11201	1.8
261.10599	1.9
262.11115	2.8
263.11777	55.9
264.08942	6.0
264.12540	7.7
265.09717	13.2
265.13321	4.7
266.10461	7.4
267.11334	6.5
275.11777	13.9
276.12466	2.0
277.09729	14.6
277.12729	2.9
278.10541	14.8
279.11276	100.0
280.11993	17.4
281.10098	2.7
281.12866	25.2
283.14459	7.9
290.10519	2.4
291.08011	3.1
291.11267	55.3
292.12009	22.7
293.12781	7.3
295.14502	3.9
303.10977	1.9
305.12677	2.3
307.10605	3.0
309.12320	3.4
311.13861	28.9
313.15649	2.2
314.16583	2.1
321.12463	3.1
323.14093	9.5
324.14859	2.4
328.14264	2.1
339.13565	4.5
342.16138	3.7
354.16351	2.0
355.16537	2.8
356.17551	2.7
357.18192	1.9
358.19174	2.8
369.14734	2.1
370.19229	3.2
372.55685	1.8
383.16281	2.3
384.17203	12.1
385.18015	2.5
386.19110	2.2
398.18564	7.1
399.15579	2.6
401.17264	6.4
402.18027	25.9
411.11526	2.4
412.16437	3.1
414.18152	19.0
418.21317	4.8
426.17941	4.6
428.20013	2.1
437.13004	2.1
443.14743	3.2
444.18967	8.6
445.20349	2.5
446.20441	3.9
458.20746	10.8
460.22696	1.9
462.20239	4.7
472.18500	5.7
476.21902	2.0
486.20255	24.8
487.20956	7.5
488.21744	3.3
489.18915	13.3
490.19800	7.6
502.19879	3.6
514.19910	2.6
516.16956	3.2
517.18524	8.3
518.23419	11.5
519.22693	1.9
530.19214	49.0
531.19989	16.6
532.20801	21.1
534.22394	3.6
549.24902	5.4
562.21851	59.4
563.22302	6.6
567.26099	9.4
609.27075	9.5
635.24591	6.5
653.25964	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	685.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17465	1.5
71.58940	3.0
74.13392	1.6
79.05477	5.7
81.07053	2.0
85.54606	1.6
91.05462	4.2
93.07043	5.7
94.06573	5.9
95.08582	1.9
97.06523	1.8
100.35995	1.7
103.05405	3.2
105.07037	1.9
108.08121	6.1
116.05016	1.9
118.06547	4.9
120.04437	2.8
120.08099	30.7
120.25793	1.9
122.06028	7.1
122.09669	2.3
134.06010	2.3
136.07588	16.3
138.09152	3.1
142.16809	1.7
144.04424	1.9
146.05989	4.2
148.07573	57.9
162.05495	2.7
164.07071	4.7
172.03979	7.6
172.07559	3.0
190.04974	2.4
195.09105	2.9
196.09888	2.8
197.10722	2.9
204.06520	14.1
208.09946	2.4
209.10715	14.6
210.11436	8.9
211.12236	12.2
212.09300	1.9
212.13084	2.6
213.10234	2.1
220.10081	2.3
221.10747	3.0
222.11420	3.7
223.12263	16.5
224.09340	3.2
224.13060	7.4
225.10284	3.5
233.10754	3.7
235.08664	2.1
235.12291	6.3
236.09436	11.8
236.13133	3.8
236.55032	1.8
237.07907	1.2
237.10216	32.8
238.10977	13.4
239.11780	24.4
241.13351	3.5
247.12366	2.8
248.09488	6.6
248.13005	2.6
249.10199	18.0
250.10985	9.3
251.11804	59.2
252.12527	5.2
253.13278	2.3
255.11201	1.8
261.10599	1.9
262.11115	2.8
263.11777	55.9
264.08942	6.0
264.12540	7.7
265.09717	13.2
265.13321	4.7
266.10461	7.4
267.11334	6.5
275.11777	13.9
276.12466	2.0
277.09729	14.6
277.12729	2.9
278.10541	14.8
279.11276	100.0
280.11993	17.4
281.10098	2.7
281.12866	25.2
283.14459	7.9
290.10519	2.4
291.08011	3.1
291.11267	55.3
292.12009	22.7
293.12781	7.3
295.14502	3.9
303.10977	1.9
305.12677	2.3
307.10605	3.0
309.12320	3.4
311.13861	28.9
313.15649	2.2
314.16583	2.1
321.12463	3.1
323.14093	9.5
324.14859	2.4
328.14264	2.1
339.13565	4.5
342.16138	3.7
354.16351	2.0
355.16537	2.8
356.17551	2.7
357.18192	1.9
358.19174	2.8
369.14734	2.1
370.19229	3.2
372.55685	1.8
383.16281	2.3
384.17203	12.1
385.18015	2.5
386.19110	2.2
398.18564	7.1
399.15579	2.6
401.17264	6.4
402.18027	25.9
411.11526	2.4
412.16437	3.1
414.18152	19.0
418.21317	4.8
426.17941	4.6
428.20013	2.1
437.13004	2.1
443.14743	3.2
444.18967	8.6
445.20349	2.5
446.20441	3.9
458.20746	10.8
460.22696	1.9
462.20239	4.7
472.18500	5.7
476.21902	2.0
486.20255	24.8
487.20956	7.5
488.21744	3.3
489.18915	13.3
490.19800	7.6
502.19879	3.6
514.19910	2.6
516.16956	3.2
517.18524	8.3
518.23419	11.5
519.22693	1.9
530.19214	49.0
531.19989	16.6
532.20801	21.1
534.22394	3.6
549.24902	5.4
562.21851	59.4
563.22302	6.6
567.26099	9.4
609.27075	9.5
635.24591	6.5
653.25964	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	684.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
55.05501	7.5
57.07055	2.2
60.04503	2.5
61.02925	2.9
67.05502	15.3
69.03436	5.9
69.07076	12.0
70.06593	3.6
71.59253	3.9
79.05499	11.6
80.68480	2.3
81.03419	2.9
81.07061	33.2
83.08593	5.1
85.02908	21.0
88.72013	2.2
91.05470	17.7
93.07053	28.7
95.04950	4.2
95.08608	43.5
97.02871	3.9
97.06559	2.5
99.08044	2.7
105.07033	44.6
107.08599	46.7
109.02865	3.7
109.06522	8.3
109.10161	21.7
111.08057	4.3
114.05632	2.2
117.07016	7.3
119.08585	63.7
121.06538	6.1
121.10139	28.2
123.08051	5.9
123.11703	8.1
125.09631	6.6
128.06334	2.0
129.07001	5.1
131.08580	45.1
133.10141	42.4
135.08073	5.4
135.11699	13.4
137.09601	4.8
139.07584	2.3
142.07784	5.1
143.08545	10.1
144.09225	2.4
145.04887	5.4
145.10127	60.3
147.08092	2.3
147.11693	25.3
149.09639	4.1
149.13290	13.5
153.09030	2.7
157.10161	15.1
158.10959	4.9
159.11697	42.2
161.09639	6.6
161.13254	31.0
163.03937	3.0
163.11171	8.2
163.14825	20.5
165.12706	2.7
170.10948	4.0
171.11713	12.1
173.13264	54.5
175.11197	5.2
175.14844	37.8
177.12756	3.7
177.16359	19.1
179.10690	4.1
180.08696	10.4
183.11667	5.2
185.13235	22.3
187.14819	74.3
189.12756	7.4
189.16339	23.5
191.14316	84.3
191.17928	7.9
193.12350	2.8
197.13293	4.8
199.14824	22.8
201.16397	100.0
203.14342	28.2
203.17963	63.5
205.15903	27.4
207.17451	2.3
211.14886	4.0
213.16400	16.1
215.14417	3.3
215.17960	8.5
217.15834	7.5
217.19388	3.3
219.17421	6.0
221.15375	56.9
223.16966	4.9
225.16434	3.1
227.17973	6.2
229.16002	3.3
231.17464	7.8
239.16373	13.5
241.19514	2.7
241.31364	2.5
245.15257	2.7
247.16986	33.7
249.14856	5.4
249.18675	3.9
269.22565	3.7
387.30435	5.3
389.32108	2.9
393.31552	8.6
405.31647	27.0
407.32913	9.8
411.32419	3.5
421.30637	4.1
423.32617	58.5
424.33032	2.4
425.34305	14.2
433.30875	12.6
439.32047	9.6
441.33636	14.5
443.35175	3.7
451.31955	29.4
469.33206	30.6
487.34100	16.4
491.63428	2.4
505.34412	2.5
707.83392	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	683.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64915	0.9
65.03938	1.0
67.05502	1.7
68.99688	1.0
69.03429	1.6
70.97266	2.1
79.05491	4.1
80.05010	1.7
81.03428	1.1
81.07040	2.1
85.02847	1.0
91.05473	3.8
93.07043	3.5
94.06544	4.0
95.04984	1.1
95.08606	2.5
97.02905	1.5
103.05469	2.7
105.07026	1.7
106.06553	1.5
107.08595	2.1
108.04442	2.4
108.08131	4.8
109.10140	1.3
109.32083	1.0
116.04905	1.3
118.06551	1.2
119.08559	2.1
120.04488	4.7
120.08119	20.5
121.10105	1.2
122.06001	6.2
135.08032	1.3
136.07564	8.5
144.04410	3.2
144.08032	1.5
145.10196	1.2
146.05981	3.4
148.07581	30.2
155.08589	1.0
159.11763	1.2
160.07593	1.3
162.05511	2.1
164.07098	1.3
166.08604	1.3
168.08096	2.1
172.03938	13.5
172.07549	3.0
185.07140	1.3
186.09129	1.9
187.08577	2.2
190.05008	4.7
196.09929	2.5
197.10732	3.7
198.05515	1.5
198.07779	1.2
198.11427	1.3
199.08723	1.3
204.06587	26.5
209.10753	2.2
210.11357	1.6
211.08669	4.4
211.12372	5.1
212.07123	1.6
212.09198	1.3
213.10297	1.9
213.13930	1.4
221.10747	3.6
223.08662	1.9
223.12227	2.0
224.07451	1.0
224.09262	5.6
225.10196	4.0
227.11858	1.8
235.08514	2.2
236.09422	2.4
237.10132	2.8
238.10866	1.7
239.11696	4.8
241.13358	28.0
242.13698	1.2
247.08522	1.1
248.09541	2.0
249.10294	7.3
250.10968	2.7
251.11975	5.0
252.08647	3.3
255.11322	2.4
261.10403	1.2
263.11624	1.8
264.08957	1.9
265.09720	5.1
267.11304	12.8
275.11444	1.1
277.09814	9.0
278.10355	2.5
279.11313	5.6
289.12183	1.3
291.11209	3.7
293.12756	1.3
301.12186	2.6
307.10748	5.0
312.11786	1.7
313.12140	1.8
314.12650	1.4
315.13785	1.9
316.14493	2.2
319.10800	4.5
326.12921	3.8
327.13834	4.4
328.14377	4.4
329.15076	1.9
329.58145	1.0
330.15988	2.5
331.16718	1.8
332.17584	3.6
338.16479	1.1
339.13620	7.2
340.14374	3.9
340.18149	1.6
341.11581	1.7
341.15344	2.8
342.12354	2.2
342.15964	5.6
343.13123	1.4
344.13828	1.8
344.17529	2.4
351.13678	2.7
352.14252	3.3
353.11832	1.8
354.12271	6.1
355.13022	5.8
355.70770	1.2
356.13849	5.0
356.17728	2.1
358.15475	7.8
359.12268	3.1
366.15985	3.8
367.13644	2.2
368.13895	5.3
368.17734	2.5
369.10565	1.5
369.14871	6.0
370.11957	1.5
370.15579	14.0
371.16376	1.4
372.17130	2.3
380.14029	2.3
382.11710	4.2
382.15570	3.3
383.12109	1.4
383.16492	1.8
384.12793	8.6
384.17664	8.3
386.14651	1.3
394.15540	6.2
395.16144	2.7
396.13187	9.4
397.14172	6.7
398.14740	5.1
399.15790	12.5
400.16580	34.7
401.16928	1.8
411.11783	14.7
412.16577	100.0
413.17282	4.7
429.12686	1.5
432.19061	1.8
443.14520	2.9
444.19348	6.2
519.24115	5.5
537.25122	1.7
547.23651	10.1
563.26245	1.5
565.24359	10.5
579.25745	4.1
589.24036	2.4
607.25537	21.4
608.25555	2.0
609.23285	2.9
623.24707	2.9
633.22943	3.1
634.23865	2.5
639.27869	1.4
651.24408	40.5
652.24463	2.2
683.25830	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	683.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22593	0.3
67.67294	0.4
71.58850	0.4
72.41560	0.3
74.02450	0.7
89.63549	0.4
91.05485	0.9
100.02174	1.7
115.05475	1.2
117.05791	0.7
117.07020	1.5
118.06552	19.2
130.06558	1.5
132.08095	5.4
140.54919	0.3
142.06532	2.0
143.07277	2.4
144.04417	0.6
144.08084	12.6
146.06012	64.3
147.06346	1.2
159.09196	5.9
160.07532	0.7
167.07042	3.6
170.06009	4.2
188.07072	100.0
189.07391	1.3
203.04822	0.7
205.09732	48.4
206.10043	1.0
261.05389	0.4
287.65558	0.4
327.12210	0.3
407.26575	0.4
479.15427	0.4
508.35980	0.4
515.11096	0.4
540.50696	0.4
592.33203	0.4
656.57910	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	683.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86222	0.8
64.94492	0.8
67.05492	1.1
69.70406	2.0
69.70834	3.0
70.95607	1.0
79.05495	4.2
81.07050	1.7
91.05463	2.3
91.62144	0.7
93.07054	2.9
94.06569	3.9
95.04948	1.2
106.06544	1.2
106.86606	1.1
108.08139	4.9
108.49290	0.8
116.04987	1.4
118.06534	2.5
118.74076	0.8
119.07402	0.8
120.04475	3.7
120.08103	18.6
120.08926	1.2
120.13078	0.9
122.06001	5.1
122.09673	1.2
124.07631	2.0
134.06018	1.7
136.07545	5.6
138.05521	1.3
144.04463	3.1
144.08078	1.1
146.05994	2.6
148.07579	28.3
149.02333	4.0
156.08069	1.1
158.09686	1.1
162.05484	1.5
163.03839	0.9
166.08629	0.9
170.09663	0.9
172.03934	10.9
172.07599	2.7
172.11066	0.8
174.05540	0.9
181.08850	1.1
182.09666	1.5
183.09169	1.2
186.09138	2.5
187.08736	1.4
190.05038	4.7
193.04965	3.0
195.09111	0.9
196.09952	2.4
197.10704	2.8
198.05652	0.8
198.07745	1.3
198.11540	1.5
199.08585	2.2
204.06548	18.5
205.71988	0.9
207.09222	1.2
208.09833	2.2
209.10687	1.2
210.11555	1.1
211.08672	3.4
211.12320	3.8
212.07190	1.6
212.09235	0.9
213.13892	1.4
221.10753	2.7
223.08757	1.5
223.12357	2.1
224.07455	0.9
224.09109	4.2
225.10239	3.8
226.11067	2.6
227.11798	2.2
229.57152	0.9
233.10739	1.0
235.08649	2.1
236.09348	1.3
237.07848	1.2
237.10251	3.6
238.11024	2.3
239.11784	4.6
240.12410	0.9
241.09648	1.5
241.13362	28.9
248.09447	1.9
249.10191	9.3
250.11002	1.9
251.11853	5.1
252.08669	2.9
255.11406	1.6
261.10263	1.9
262.10855	0.9
263.11896	1.3
264.08902	1.5
265.09619	4.0
267.11301	12.6
277.09714	9.1
278.10498	1.6
279.11273	6.3
286.10846	0.9
290.10532	1.3
291.11182	3.0
293.09329	1.1
293.12756	1.4
300.11407	1.1
301.12170	2.5
307.10730	5.0
312.11377	1.6
313.12671	1.3
314.12985	3.1
315.13684	2.6
319.10791	3.3
325.12341	1.9
325.15878	1.5
326.13031	5.7
327.14014	3.0
328.10934	1.0
328.14539	2.8
329.15216	1.3
330.15933	2.3
331.16751	2.5
332.17551	3.2
338.13095	2.2
339.13495	7.6
340.10861	2.0
340.14398	3.2
340.18124	1.7
341.11444	2.2
341.15335	2.1
342.12354	2.4
342.16061	5.2
343.12949	1.7
343.16855	1.7
343.36301	0.9
344.13922	1.1
344.17661	1.7
350.12842	1.9
351.13718	2.9
352.14340	2.5
353.12216	1.6
354.12265	4.8
354.16260	1.7
355.13153	4.7
356.13754	3.4
356.17770	2.4
357.14999	1.6
358.15469	6.2
359.12393	3.6
365.15445	1.4
366.16074	3.8
367.13718	3.3
368.13934	5.9
368.17725	2.1
369.10754	1.2
369.14877	4.2
370.11627	1.6
370.15588	14.3
371.15866	2.4
372.17099	3.1
379.13452	1.8
380.13998	2.3
381.14798	1.1
382.11722	3.7
382.15738	2.2
383.12247	1.4
383.16574	2.3
384.12863	9.6
384.17691	7.8
385.14053	1.6
386.15201	1.3
393.14719	1.0
394.15640	4.9
395.16318	1.4
396.13229	8.2
397.14249	6.9
398.15027	5.5
399.15802	12.7
400.16580	35.7
401.17093	1.9
410.14972	1.0
411.11832	12.8
412.16562	100.0
413.17090	5.1
426.17917	1.6
429.12622	2.0
432.19174	3.3
443.14359	2.1
444.19293	6.8
454.17612	1.0
472.19061	1.1
477.22955	1.2
501.22983	1.0
519.24176	5.5
529.22070	1.5
533.13214	0.8
547.23352	8.2
563.26575	2.0
565.15979	1.3
565.24213	7.9
570.83478	1.0
579.25922	3.9
589.24078	2.9
590.25214	1.4
597.25934	0.9
607.25537	23.1
608.26019	0.8
609.23096	2.9
623.24469	3.0
633.22998	4.6
634.23541	1.8
651.24536	39.1
652.24603	3.1
683.26398	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	682.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
53.88126	2.7
54.56119	3.4
55.01867	3.9
55.05515	30.5
55.52200	3.1
57.03442	15.4
57.07078	3.8
65.03950	3.6
65.38555	2.9
67.05508	96.4
67.05871	5.2
68.72646	2.8
69.07071	39.9
69.94924	14.6
71.04992	4.2
71.08649	4.3
79.05495	42.7
81.07062	100.0
83.04985	6.6
83.08622	15.2
85.06523	5.4
88.46550	2.8
89.59905	2.9
91.05491	34.5
93.07047	46.1
95.04955	12.1
95.08614	66.8
97.06522	12.6
97.10149	9.1
99.08089	3.6
105.07040	32.6
105.61900	3.3
107.08598	29.1
109.06539	8.2
109.10183	30.2
111.08085	6.3
117.07030	10.4
119.08591	22.8
121.06507	6.4
121.10143	26.8
123.08048	3.2
123.11688	10.6
129.06950	4.8
131.08569	12.5
133.10147	24.1
135.08040	3.5
135.11703	10.0
137.09544	3.4
143.08569	5.7
145.10139	10.2
147.11696	16.7
149.09575	4.5
149.13266	7.6
151.66685	3.6
157.10144	4.1
158.77528	3.4
159.11699	8.1
161.13313	6.6
163.11238	4.3
173.13275	7.0
184.07382	3.2
185.13239	4.8
219.17401	4.6
257.19003	4.1
269.17484	11.9
275.20081	24.5
291.19540	3.6
293.21063	4.4
309.20642	18.4
337.27402	97.3
349.23657	8.8
367.24902	7.4
465.35751	4.8
531.40411	26.0
571.43622	60.2
611.46802	16.1
629.46765	8.5
659.24902	3.8
682.44501	4.2
683.43408	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	681.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.9
55.01858	2.8
55.05522	15.0
57.03426	6.4
57.07071	9.9
65.03921	1.8
65.58810	1.5
67.05222	1.6
67.05516	19.6
68.25654	1.7
68.99792	3.9
69.03435	78.5
69.07076	55.9
70.77248	2.6
70.77573	2.3
71.04999	11.7
71.08636	18.1
79.05492	14.9
81.03425	58.5
81.07066	38.6
83.08204	2.1
83.08624	21.8
85.02430	2.5
85.02914	45.0
85.10159	6.8
87.00845	15.7
91.05473	12.4
93.07056	25.9
93.84690	1.5
95.08614	59.4
97.02893	18.2
97.06539	1.6
97.10174	8.0
99.04468	24.6
99.08092	2.0
105.01854	5.7
105.07036	29.3
107.08604	33.0
107.34023	1.7
109.02888	41.5
109.10163	32.2
111.11710	5.9
113.09660	7.6
117.07020	5.8
119.08595	20.2
121.10163	28.3
123.08060	5.3
123.11734	15.3
125.13267	19.7
127.03929	100.0
129.07019	3.6
131.08560	13.5
133.10141	19.5
135.11699	19.9
137.12238	1.6
137.13239	5.6
143.08543	7.7
145.04976	5.2
145.10152	19.7
146.74625	1.6
147.11682	20.5
149.09564	2.6
149.13272	14.8
151.11159	1.7
151.14877	2.3
157.10144	8.5
159.11694	23.3
161.11960	3.1
161.13258	38.1
163.11209	3.2
163.14821	8.2
165.16440	2.8
169.10121	2.4
171.10437	1.5
171.11694	9.7
173.13335	11.4
175.11115	3.5
175.14905	9.3
177.12758	2.9
177.16447	2.6
179.17943	1.9
183.11717	2.6
185.13287	9.1
187.06003	8.4
187.14850	9.1
189.16380	6.8
191.17792	1.9
197.13290	4.4
199.14728	9.4
201.16376	7.5
203.14426	2.6
203.17929	4.2
211.14777	3.6
213.03943	24.1
213.16330	9.3
215.17963	6.7
217.19441	2.3
225.16402	4.5
227.17993	6.7
229.19681	3.2
231.05020	76.5
231.17528	2.1
239.17975	4.2
241.19519	3.5
243.21100	5.4
245.19202	2.4
249.06053	3.2
253.19502	14.5
255.21075	15.8
257.19019	4.4
257.22681	3.1
263.72159	1.6
269.22623	3.1
271.17810	2.9
271.20618	34.7
273.22113	17.0
283.24243	23.3
285.25723	6.2
289.21637	23.0
295.24097	5.0
297.25696	6.0
299.23682	2.6
301.25348	10.4
309.25754	7.9
313.25171	6.4
315.26819	7.4
327.26840	3.7
331.26321	7.6
341.28311	1.8
353.31793	2.2
371.32797	1.9
379.33606	16.5
397.34637	38.0
415.35684	23.4
416.36282	1.8
433.36646	3.0
485.08569	1.7
553.51111	1.8
623.43475	2.2
645.39825	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	681.3848
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
54.66071	2.3
55.05518	6.3
57.07066	3.1
67.05508	8.8
69.03432	6.8
69.07053	4.5
69.40186	17.2
79.05505	13.5
81.03409	5.6
81.07063	21.9
82.58875	2.2
83.04994	5.8
83.08646	2.5
85.02915	9.9
86.06073	2.7
91.05487	15.6
93.07059	29.3
95.04967	5.8
95.08615	26.8
97.06549	3.5
99.04469	4.0
103.05476	3.7
105.07032	36.7
107.04998	4.1
107.08598	37.2
109.02837	3.2
109.06519	6.6
109.10163	18.0
111.08077	5.0
117.07034	6.3
119.04932	3.9
119.08589	36.4
121.06505	6.3
121.10159	24.9
123.08050	2.3
123.11707	7.1
125.09630	14.5
127.03996	2.3
128.06317	2.2
129.07022	4.7
131.04892	3.4
131.08583	23.9
132.44328	2.6
133.10143	32.1
135.04424	4.2
135.08109	2.8
135.11719	6.9
137.05914	2.7
137.09645	10.5
141.07001	3.2
142.07808	2.9
143.08598	18.0
145.02821	5.5
145.10130	36.3
147.04431	6.3
147.08101	3.8
147.11700	13.5
149.13283	6.2
149.66705	2.2
151.11194	4.0
151.65869	2.2
154.07823	2.6
155.08582	8.1
156.09328	6.5
157.10139	16.6
158.10936	2.4
158.28307	2.1
159.08057	4.5
159.11726	26.9
160.50668	2.2
161.09627	5.1
161.13231	11.2
162.68134	2.7
163.03929	11.1
163.11183	2.6
168.09378	3.6
169.10158	11.3
171.11693	34.6
173.13271	38.6
175.03954	2.9
175.11206	4.5
175.14856	9.5
177.05476	7.5
177.16425	8.4
181.10114	5.0
183.11723	14.2
185.13374	16.2
187.11241	6.0
187.14856	20.3
189.12785	25.9
189.16409	12.6
190.16721	2.6
191.14308	5.5
193.15945	2.7
195.11731	7.3
197.13344	10.9
199.11183	31.7
199.14861	10.4
201.12741	9.4
201.14536	2.3
201.16429	8.5
203.14320	6.6
205.15909	18.4
207.06557	5.5
207.11853	2.9
207.17509	3.6
209.13222	3.8
211.14897	6.5
213.12723	2.7
213.16455	8.5
215.10661	2.7
215.14262	5.4
217.12256	46.4
217.15782	6.2
221.15541	2.8
223.14838	3.5
225.16461	5.3
227.10587	2.7
227.14381	2.7
229.15858	4.5
237.16599	3.8
243.17467	3.9
245.11754	8.5
263.12805	85.4
277.14197	2.8
277.18036	5.5
291.16043	2.6
305.17456	20.9
314.13925	5.4
317.17346	4.9
319.18845	4.5
401.28442	5.2
419.29736	6.7
435.29016	2.5
437.30399	6.1
447.28845	7.3
453.29819	10.3
465.30005	46.1
483.31085	100.0
484.31390	5.2
501.32642	3.9
542.85797	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	680.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.4
55.05513	29.1
57.03433	15.1
58.82131	3.4
64.69300	3.4
65.03940	4.2
67.05171	6.1
67.05511	100.0
69.03404	5.8
69.07075	31.2
70.23001	3.2
71.04984	5.2
71.08659	4.1
71.59927	6.5
79.05495	68.3
81.07061	95.7
83.04974	7.2
83.08615	17.5
84.23849	3.5
85.06530	7.4
91.05481	50.7
93.07053	84.1
95.04996	9.1
95.08606	62.7
97.06536	12.8
97.10171	11.7
105.07045	38.3
107.08588	42.3
109.06496	5.1
109.10156	28.8
111.08093	6.8
117.07028	19.0
118.94450	3.3
119.08587	33.7
121.10172	29.8
123.08025	5.0
123.11733	8.0
125.09586	6.9
131.08595	17.6
133.10139	28.3
135.08144	4.2
135.11693	14.4
137.09639	7.2
139.11151	3.5
143.08528	4.0
145.10152	18.6
147.11690	19.2
149.13287	11.2
155.08723	4.2
159.11728	9.1
163.14825	4.6
171.11682	7.8
173.11736	4.1
173.13235	7.5
175.54173	3.6
187.14827	3.9
195.13753	4.4
199.14787	4.2
219.17323	4.5
227.12689	4.9
229.14317	14.6
257.19006	5.2
261.22141	9.8
264.97260	3.8
269.17410	17.4
275.20035	32.3
277.21756	4.8
293.21237	5.4
309.20465	8.5
317.24771	4.3
335.25818	94.5
335.29849	6.6
349.23792	15.8
367.24719	7.3
383.38040	3.9
411.21414	4.2
489.36057	4.0
529.38934	26.3
569.41962	25.9
609.44690	15.4
627.45685	10.1
642.82190	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	679.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28227	2.8
53.03945	12.6
55.01873	9.6
55.05517	39.1
57.03432	14.2
67.05507	73.5
69.03432	24.5
69.07062	15.6
71.05004	8.3
73.02905	5.8
76.68555	2.8
79.05502	58.8
81.03427	100.0
81.07063	66.1
82.03671	3.5
83.04989	39.0
83.08617	25.6
83.32442	2.8
85.02908	18.4
85.06536	6.2
91.05489	54.3
91.64819	3.1
93.07055	70.7
95.04987	27.5
95.08612	43.5
96.97005	3.0
97.02895	23.2
97.06523	7.7
97.10178	8.1
99.04459	5.6
99.08115	6.7
100.03048	3.0
105.07040	36.9
107.04957	7.8
107.08609	17.8
107.96445	3.3
109.02892	10.8
109.06534	9.7
109.10151	19.3
111.04456	22.8
111.08067	15.0
117.07021	9.7
119.08595	31.7
121.06478	5.0
121.10152	36.5
123.08066	8.4
123.11709	8.9
127.03944	12.6
128.64607	3.1
129.05476	11.6
129.07008	16.2
131.08563	20.6
133.06453	5.8
133.10146	21.5
135.08102	5.8
135.11708	16.3
142.07823	5.5
143.08589	4.4
145.10129	16.8
147.08060	5.1
147.11717	20.3
149.09616	9.5
149.13309	6.1
153.12776	5.3
155.08661	4.5
157.10213	16.5
159.08092	3.7
159.11710	13.0
161.09558	3.3
161.13289	3.5
163.11208	9.4
169.10152	4.5
171.11758	5.1
173.13269	5.7
175.11285	14.7
181.12242	6.4
183.11743	4.5
184.07416	4.2
191.10674	6.3
193.12274	48.4
199.14743	3.5
211.13290	66.0
211.15230	4.3
214.80428	3.7
215.17943	11.0
227.12708	14.9
229.14258	3.7
233.19022	11.9
267.15866	10.6
283.15588	4.7
285.16882	18.8
307.22717	52.1
309.24304	6.1
341.20908	4.8
429.21185	8.8
433.25946	3.6
437.03485	3.4
499.33948	9.7
517.35303	39.5
635.90741	4.2
643.38409	5.2
661.39093	21.0
679.39960	8.5
686.47614	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	678.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87411	7.6
55.05507	31.9
57.03427	29.0
57.07067	12.5
65.03963	11.1
66.59785	8.1
67.05511	91.3
69.03445	10.8
69.07057	38.5
71.05036	9.2
71.58697	15.4
74.30078	8.3
79.05496	96.3
81.07059	91.5
83.04984	9.2
83.08611	25.1
85.06552	10.5
86.09720	9.3
91.05486	98.1
93.07056	81.6
95.04987	15.6
95.08611	64.7
97.06564	13.7
105.07030	100.0
107.08594	57.4
109.10166	27.4
117.07021	35.6
117.84777	8.3
119.08567	75.6
121.10161	29.2
124.99992	12.8
129.06999	29.5
131.08566	51.5
133.10162	46.6
135.08038	12.0
139.37782	8.7
143.08540	37.9
145.10143	69.8
147.11705	23.9
149.13202	9.4
153.25990	8.6
155.08568	22.6
157.10152	28.1
159.11699	34.5
161.09592	8.3
161.13246	15.8
167.08588	8.6
169.10188	31.9
171.11685	16.3
173.13257	26.7
179.08560	10.7
181.10149	17.3
183.11736	26.7
184.07359	33.1
185.13271	26.8
193.10175	17.0
195.11565	12.9
197.13307	21.6
209.13269	12.2
211.14978	16.1
231.99654	9.7
237.16408	10.9
240.99080	7.8
275.20096	13.0
309.21930	8.4
333.24387	11.2
438.74728	8.1
556.83191	10.8
560.24030	11.3
607.43207	23.4
625.44659	13.6
695.36328	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	677.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73198	2.1
51.02379	3.6
53.03943	18.8
55.01879	15.5
55.05514	37.4
57.03437	13.2
57.07063	3.9
65.03940	5.9
67.05176	4.0
67.05510	69.8
69.03432	31.5
69.07078	16.0
69.39220	5.3
69.39625	15.8
71.05011	13.6
77.48256	2.2
79.05061	3.7
79.05499	71.1
81.03424	100.0
81.07063	57.2
83.04987	31.4
83.08626	18.0
85.02895	12.6
85.06551	5.6
88.63615	2.1
91.05480	48.7
93.07051	71.1
95.04985	19.4
95.08617	37.0
97.02894	34.2
97.06539	13.4
97.10175	15.2
98.20698	3.7
99.04433	11.1
99.08078	2.8
103.03961	4.3
103.05488	2.5
105.07034	34.9
107.04945	10.5
107.08603	35.4
107.09749	2.4
109.02882	31.8
109.06516	5.9
109.10154	21.0
111.04453	30.8
111.08078	13.2
117.07022	22.8
119.04890	3.3
119.08593	29.1
121.06509	7.5
121.10169	33.9
123.04385	3.2
123.08054	7.6
123.11734	6.2
125.09629	10.1
127.03918	17.4
128.06219	4.6
129.05499	5.5
129.07001	13.9
130.07733	2.9
131.08589	26.9
133.10124	26.6
135.08022	7.2
135.11702	32.3
137.06065	2.4
137.09599	3.3
141.06955	5.8
142.07700	3.0
143.08583	11.7
145.06503	5.3
145.10124	31.9
147.08101	3.7
147.11687	18.7
149.09583	7.2
149.13251	5.2
153.12767	24.6
155.08559	7.2
157.10109	8.6
159.08031	2.9
159.11729	13.0
161.13243	8.2
163.11182	29.2
164.06718	2.5
167.08556	4.4
169.10086	5.5
171.08063	2.5
171.11676	11.7
173.04494	29.7
173.09625	9.7
173.13278	10.6
175.11182	3.5
181.10619	3.5
181.12247	24.4
183.11725	6.8
185.13242	5.9
187.11148	5.7
187.14848	5.0
189.11192	8.3
189.12733	4.2
191.10674	25.0
191.14320	3.1
193.10091	2.4
193.12213	3.0
197.09607	3.1
197.13283	5.4
199.11258	3.0
207.11531	2.4
209.11812	7.4
211.14867	3.6
213.12691	2.7
213.16345	6.1
215.17896	12.1
221.13394	3.4
227.12773	48.1
229.84352	2.8
231.17424	4.3
233.19022	10.6
239.17999	2.7
255.17406	2.5
271.20526	7.9
273.18384	3.6
283.15448	21.0
287.19778	2.6
301.16418	6.3
305.21136	2.9
307.22711	38.7
323.19766	2.5
341.21106	4.1
353.15973	9.2
377.23294	3.1
405.27878	4.9
423.28864	5.8
427.19724	12.2
441.29974	5.7
487.34900	3.3
497.32523	11.0
515.33759	49.4
533.34540	9.8
604.65308	2.7
606.48395	2.7
659.37781	13.4
677.39124	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.0
51.24952	1.4
53.03925	2.4
54.02480	1.5
55.01860	2.5
55.05515	14.9
57.02516	1.7
57.02850	2.1
57.03425	7.3
57.07061	5.4
61.02935	18.5
65.03941	3.7
67.05511	86.3
69.03413	3.6
69.07075	14.4
69.39958	13.6
69.40364	4.1
71.04978	5.9
71.08632	2.7
73.02915	7.9
79.05060	2.8
79.05502	50.7
81.03423	2.4
81.07065	100.0
83.04968	2.9
83.08610	10.1
85.02911	20.5
85.06544	2.1
91.03957	18.4
91.05486	24.8
93.07054	62.5
95.04951	6.8
95.08613	81.4
96.80361	1.6
97.02898	12.8
97.06533	3.2
97.10172	3.8
98.21492	4.1
99.08041	3.4
105.07046	20.7
107.08603	39.3
109.06463	2.7
109.10164	37.6
117.07011	11.2
119.08579	18.0
121.06501	1.6
121.10157	34.6
123.11701	17.7
125.09587	2.6
127.03922	4.2
131.08569	22.2
133.10126	17.3
135.11700	30.3
137.09573	2.0
137.13235	9.5
145.04933	6.3
145.10158	19.8
147.11732	12.8
149.13257	19.3
151.14861	2.3
159.11726	13.9
161.13304	13.9
163.05992	7.8
163.14832	11.0
165.12756	2.7
173.13293	16.2
175.14874	4.3
177.12842	2.4
177.16394	5.2
179.14360	3.2
187.14885	9.3
201.16393	2.7
205.15858	2.8
233.22594	3.9
243.18765	2.9
243.21100	34.6
261.22150	91.9
279.23221	3.5
305.36896	1.8
313.63953	2.0
335.25806	27.1
353.26874	25.2
497.30945	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	677.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.05514	13.8
57.03440	4.7
57.07083	5.1
61.02933	21.5
61.42562	2.1
65.03983	3.0
67.05173	3.5
67.05511	69.2
69.03420	7.0
69.07064	13.2
69.60932	15.8
72.75032	2.1
73.02911	9.0
76.47209	2.1
79.05497	39.8
81.03436	3.2
81.07063	75.5
83.04977	3.6
83.08604	7.1
85.02911	24.9
91.03962	21.3
91.05490	28.9
93.07045	59.6
95.04962	3.8
95.08612	55.1
97.02895	13.4
97.06538	6.1
97.10147	4.3
99.08063	2.9
105.07049	18.0
107.08604	35.0
109.06534	2.7
109.10168	29.4
111.08116	3.3
117.07049	7.9
119.08588	15.3
121.10149	35.5
123.08103	2.9
123.11722	17.2
127.03901	7.5
131.08595	23.2
133.10152	15.6
135.11708	27.5
137.09627	4.0
137.13263	6.9
145.04968	8.2
145.10121	16.0
147.11691	11.8
149.13249	21.9
153.12743	3.2
155.59241	2.6
159.11734	13.8
161.13269	11.5
163.06036	19.2
163.11230	2.7
163.14801	14.3
165.12849	2.7
173.13268	17.0
175.14806	4.8
177.16397	6.2
179.14310	2.3
182.61940	2.2
186.39502	2.0
187.14847	8.3
201.16483	3.8
243.21095	28.2
261.22168	100.0
268.54077	2.2
279.23001	2.8
280.28046	2.2
335.25815	17.2
353.26846	27.1
497.31830	3.4
677.38385	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	675.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29418	0.9
53.03941	1.4
55.05500	1.6
67.05512	7.8
69.03430	2.6
69.07075	4.1
69.70325	4.5
70.06592	4.1
71.06931	1.1
79.05493	2.0
81.03443	0.9
81.07065	5.8
83.04966	1.4
83.08624	1.2
85.02938	1.2
85.06546	7.7
91.05488	3.6
93.07057	6.5
95.04992	1.6
95.08609	5.2
97.02931	1.2
97.06526	1.3
105.07025	2.1
107.04935	1.7
107.08621	4.4
108.08143	1.2
109.02868	1.6
109.10171	9.1
111.08130	1.2
119.08614	2.2
121.02915	1.7
121.10165	1.9
122.06072	1.1
122.07314	1.1
123.04411	1.0
123.11723	4.3
124.07587	5.0
125.09642	5.1
127.03928	1.5
133.10126	1.0
135.11699	3.9
136.07582	33.8
137.06023	0.9
137.09615	10.0
138.09186	1.3
142.27565	1.0
145.10181	1.7
147.04442	1.9
149.13268	1.2
151.07643	1.0
152.07089	10.1
153.12735	2.0
161.13338	1.2
163.03983	2.4
164.07083	38.0
165.09122	100.0
169.12234	1.1
169.25470	1.1
171.13818	14.9
177.16330	1.0
191.63377	1.0
203.10709	1.0
205.12248	7.2
238.11172	1.0
243.11449	1.2
244.09679	2.0
277.25284	1.8
285.12344	3.5
287.13889	10.0
295.26334	7.8
297.12225	2.2
299.10406	1.6
305.14941	2.6
307.26395	2.1
308.11407	1.4
413.17087	1.7
431.18112	5.2
441.33734	2.7
449.19052	1.2
459.34641	3.2
536.20367	3.6
675.38715	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	675.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13257	3.7
63.24985	3.5
66.41498	4.7
69.61713	28.6
96.08139	4.2
99.36143	4.7
108.08155	7.4
110.09673	18.2
120.08115	12.3
124.07573	7.3
136.07579	10.8
138.09143	18.3
152.07037	4.7
157.01433	3.9
166.08687	25.3
172.03918	19.0
190.05019	11.2
191.03629	4.2
203.94095	3.9
204.06561	19.2
212.09656	5.6
223.08621	4.1
225.10254	11.6
227.11800	10.0
237.10233	9.0
241.09735	10.0
249.10213	5.2
251.11761	5.3
253.09760	10.7
263.11746	4.0
265.09958	10.2
267.11279	12.4
269.12848	13.1
271.10779	11.6
279.08017	4.1
279.11340	11.1
280.11935	5.7
283.10791	9.5
287.13931	10.8
295.10825	7.8
297.12454	6.3
299.10422	5.6
300.11093	7.5
307.10645	4.2
309.12225	7.7
311.13889	5.7
312.11057	4.9
313.12051	6.7
314.12704	9.9
315.13522	22.4
323.10226	5.8
325.12103	21.3
327.13419	14.9
339.13440	41.2
354.12119	5.1
355.12857	13.3
367.13107	26.2
390.18219	4.7
398.14923	5.6
399.15723	13.8
416.15982	7.9
420.19180	6.3
446.16959	10.0
451.88770	4.8
458.17038	21.3
478.19705	7.0
480.21375	27.6
488.17856	9.4
490.19812	7.7
520.13013	6.2
520.20789	100.0
521.21735	27.6
552.23578	45.9
553.23883	17.5
611.25055	63.3
626.25873	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	675.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
67.05491	1.3
69.03426	1.7
70.06573	0.6
75.82796	0.7
79.05489	2.5
81.03403	1.4
81.07063	1.2
85.02907	1.5
85.06554	1.0
91.05489	2.0
93.07038	1.8
93.38915	0.7
94.06554	2.2
95.04991	1.2
95.07346	1.9
95.08641	1.1
96.08141	3.7
96.46696	0.8
97.02914	1.0
105.07030	1.6
106.06590	1.0
107.08578	1.0
108.04517	0.9
108.08104	4.1
109.02902	1.1
110.09682	4.8
114.05273	0.7
119.08624	1.1
120.04469	1.8
120.08102	4.7
122.06022	0.9
124.07635	1.9
127.03919	1.4
130.06537	2.9
131.05052	0.9
131.08531	0.9
134.06026	3.1
135.04448	1.0
136.07587	4.6
137.02414	0.8
137.09674	0.7
138.09175	6.6
144.04485	2.0
146.06013	1.3
147.04456	2.3
148.07600	1.2
152.07056	11.7
160.03839	0.8
162.05537	1.6
162.09244	1.0
163.03926	2.5
163.11115	1.0
165.09145	2.8
166.05084	0.8
166.08617	8.8
172.03938	9.0
180.06592	6.6
190.05057	2.1
199.12381	0.9
204.06566	16.8
212.09515	0.9
213.10326	1.0
224.09477	1.1
225.10248	2.3
227.11852	1.6
236.09244	0.9
237.10222	5.2
238.11078	1.6
239.08141	1.5
239.11819	2.9
241.09706	2.7
249.10347	3.1
250.11008	1.2
251.08109	2.1
251.11783	4.3
252.12639	1.2
253.09792	2.6
255.11345	1.4
263.11801	1.2
264.09064	1.0
265.09717	7.2
267.11432	3.1
269.12881	2.0
271.10934	2.2
273.12482	0.9
277.09772	0.9
278.10593	2.0
279.07718	2.3
279.11343	4.7
280.11990	0.9
281.09238	2.9
281.12622	1.8
283.10834	5.0
285.12411	2.1
287.10852	1.1
287.13889	3.8
289.09778	2.2
291.11307	1.1
293.09259	3.7
293.12888	2.6
294.10031	2.7
295.10818	2.5
296.11481	1.3
297.12384	1.6
299.10287	2.2
299.13663	0.9
301.11639	0.8
307.10822	2.1
308.11758	1.0
309.12454	2.3
311.10349	5.5
311.13745	1.3
312.11093	1.3
313.11847	3.0
314.12579	0.9
319.06500	0.9
323.10522	1.5
324.11157	0.9
325.11844	3.5
326.12674	2.9
327.13388	6.8
335.10330	3.2
339.09897	1.2
339.13412	24.8
340.10461	1.4
341.11465	2.5
354.12280	2.3
355.12985	7.6
357.14563	2.1
367.12820	11.0
371.12418	5.4
371.16309	1.5
386.14856	1.5
387.15704	1.3
399.15707	4.2
400.16333	0.9
404.16104	0.9
428.15488	0.8
446.17145	1.4
458.17560	2.0
479.20819	2.1
490.20316	1.4
492.21951	1.1
520.17474	11.5
524.20068	0.8
534.18945	1.4
552.23468	100.0
553.23810	4.2
611.25372	3.9
625.22876	2.5
643.26959	1.2
657.25568	1.1
675.26941	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	675.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27759	0.6
69.34017	1.5
69.34428	4.4
81.07047	0.7
93.07025	1.1
94.06569	1.6
95.07336	1.0
96.08151	2.2
108.08127	4.4
110.09706	4.8
120.04504	1.2
120.08114	5.2
122.06036	1.5
124.07626	1.2
136.07581	4.2
138.09169	6.3
144.04523	1.6
146.06030	1.4
148.07639	1.2
152.07095	1.7
166.08662	8.1
172.03960	7.6
176.07053	0.8
190.04976	1.0
204.06592	16.7
209.10718	1.0
224.09567	1.0
225.10323	2.6
227.11829	2.1
237.10246	4.1
239.11884	2.4
241.09799	0.8
249.10382	2.6
250.11040	1.3
251.08192	2.2
251.11900	3.1
252.12619	0.7
253.09750	3.0
254.10779	0.8
259.14459	0.8
261.10223	0.9
263.11816	1.1
265.09747	4.7
267.11353	2.6
269.12982	2.2
271.10794	3.4
273.12451	1.2
277.09814	1.7
278.10602	2.2
279.07706	2.3
279.11389	4.2
280.11914	1.2
281.09473	1.3
281.12585	1.7
283.10895	4.4
284.11801	0.9
285.12445	2.0
287.13959	4.9
289.09769	2.2
291.11179	1.1
293.09296	2.0
293.12906	2.2
294.10107	2.0
295.10861	1.4
296.11639	1.7
297.12476	2.4
299.10266	1.0
299.13965	0.9
307.10818	1.1
308.11386	0.7
309.12448	1.9
311.10468	4.5
311.13763	1.2
312.11221	1.2
313.12021	2.2
314.12695	1.5
315.13727	1.0
323.10455	1.2
325.11996	2.4
326.12711	2.5
327.13477	5.7
335.10513	3.7
339.09467	1.7
339.13455	29.1
340.14209	1.0
354.12143	1.7
355.12961	8.7
357.14398	4.2
358.15561	0.9
367.12943	13.6
370.15524	1.2
371.12402	1.2
384.13312	1.0
385.14120	1.0
386.14792	1.4
387.15411	1.1
398.14993	2.3
399.15695	8.4
404.16107	1.6
416.16342	1.9
440.16476	1.1
446.17245	1.5
458.16931	5.1
460.18265	0.9
479.20502	2.1
488.18250	1.7
490.19855	2.8
492.21255	2.1
520.20917	7.8
552.23474	100.0
552.99030	0.7
553.24152	5.1
593.23572	0.9
611.25092	12.1
612.24512	1.0
643.27515	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	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02886	0.5
67.05503	1.0
69.03437	0.7
70.13886	1.7
81.03400	0.5
81.07056	0.5
85.02915	0.6
91.05534	0.5
93.07024	0.6
105.07047	0.5
107.08649	0.7
165.09253	0.6
229.82518	0.5
277.21957	0.6
416.71497	0.5
439.13940	0.5
445.18335	0.6
453.15506	0.6
454.16782	1.2
455.13300	0.7
465.18222	0.4
467.18112	0.5
468.14551	1.8
469.14948	8.7
470.15976	1.5
481.15341	2.0
482.15826	9.5
483.16638	10.5
484.17252	2.3
485.18338	0.9
495.16739	2.7
496.17459	5.6
497.18277	38.4
498.18820	4.6
500.16489	0.6
510.19208	1.2
511.19916	4.9
512.20380	1.5
515.19617	1.7
528.16010	2.1
538.20770	1.0
539.19318	0.5
542.17889	2.4
555.18695	3.3
556.19507	3.4
557.20319	3.5
569.20398	0.6
571.21466	0.7
573.23431	0.5
616.21930	0.6
617.22906	0.6
625.23132	0.9
629.22070	0.9
643.24023	6.4
644.24799	7.0
645.23859	1.3
657.25659	5.2
660.24146	1.4
675.26636	100.0
676.26880	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	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
65.03942	1.0
67.05495	3.3
69.03431	3.0
71.59100	1.4
79.05505	1.6
80.05001	1.2
81.03419	4.2
81.07063	2.6
83.08611	1.4
84.08150	4.5
85.02915	3.4
86.72774	1.0
89.03924	2.1
91.05473	2.0
92.11459	1.1
93.05766	0.9
93.07043	3.4
94.06551	2.9
95.07334	1.5
95.08604	1.6
96.08126	6.5
97.06516	1.4
99.04449	1.2
105.07020	1.5
107.08582	1.2
108.08101	5.9
109.02879	3.1
109.06522	1.2
109.10162	3.2
110.09684	6.8
116.04974	4.6
118.94576	0.9
119.08604	2.8
120.08100	7.0
121.10167	1.2
122.06047	3.5
123.04456	1.6
124.07612	5.8
127.03920	5.6
132.04532	1.0
134.06009	1.1
134.10419	0.9
134.68338	1.0
135.04416	2.3
136.07594	8.1
136.65227	1.0
137.08618	0.9
137.09628	2.8
138.09129	9.0
144.04445	10.3
146.06015	1.7
147.04439	1.2
148.07596	3.7
162.05464	5.2
163.03940	3.5
164.04272	1.3
164.07036	1.0
165.09116	34.0
166.08632	12.2
172.03940	54.8
177.05528	1.1
178.86748	0.9
190.04987	7.5
201.13681	1.0
204.06561	100.0
205.06993	1.8
205.12315	2.5
211.08675	1.2
223.12302	2.1
225.10262	1.2
227.08176	1.7
227.11795	2.1
235.08652	2.6
236.09262	2.3
237.10248	5.8
238.10925	2.9
239.11757	1.7
240.12589	1.7
241.09761	4.4
241.13252	2.3
242.10495	6.6
247.08827	1.3
248.09480	3.1
249.10231	6.6
250.11035	9.6
251.11758	8.6
253.09825	1.3
255.11253	6.4
256.11993	2.0
261.10318	3.6
262.11017	3.5
263.11819	15.0
264.12500	2.3
265.09680	1.7
265.13315	1.5
267.11288	3.3
277.09705	3.6
278.10391	1.0
279.11249	13.4
281.09366	1.7
281.12808	3.2
282.09955	2.2
283.10788	1.9
284.11530	3.7
285.12445	1.8
289.09650	2.1
291.11197	6.4
294.10135	1.3
295.10831	2.8
295.14377	1.0
297.12173	4.7
301.11865	2.6
302.12601	6.5
305.09381	1.3
307.10641	7.1
309.12369	7.8
311.13998	1.8
319.10815	1.4
323.10388	2.4
323.13861	1.8
325.11801	20.3
328.14423	1.7
329.15231	1.7
335.10220	5.0
337.11771	4.4
339.09775	2.2
339.13644	1.9
342.15915	1.9
343.13034	4.0
355.12985	7.1
356.13705	2.2
357.14465	18.0
367.12936	9.0
368.13693	3.4
369.14349	2.6
370.15628	1.1
387.15695	1.6
389.16833	2.1
402.18265	1.1
403.18884	2.2
427.35547	1.0
431.70535	1.0
458.58679	1.1
470.16727	1.3
474.94476	1.1
476.21609	1.2
478.19055	1.0
488.18231	2.7
489.18762	2.8
490.19583	7.5
494.22675	1.1
502.19421	2.7
520.20862	41.9
521.21564	9.2
522.22357	20.1
529.13586	1.2
552.15454	1.5
552.23438	20.7
553.23779	1.2
611.24188	2.8
639.23138	1.2
643.27362	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	675.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15714	0.8
55.05510	1.0
55.52301	0.9
57.07076	2.4
61.02927	1.3
67.05505	2.6
70.09345	3.8
71.08636	1.3
72.08948	0.9
74.28161	0.8
79.05486	1.4
81.03413	1.5
81.07060	2.6
83.08617	1.0
85.02902	1.0
85.10171	1.3
87.04523	0.9
89.92641	0.8
91.05495	2.0
93.07020	1.7
95.04928	1.0
95.08603	2.6
97.02853	1.7
105.07047	1.9
107.04961	1.3
107.08595	1.1
109.10159	1.5
115.92113	0.8
119.94617	0.9
124.50121	0.9
149.02321	1.3
183.94431	1.0
184.07349	1.1
239.23692	1.4
240.24260	0.9
241.24185	0.9
282.81702	1.0
313.27429	2.4
314.27701	3.7
315.27988	2.4
316.28049	1.4
347.67264	0.9
370.10620	1.4
383.11331	1.0
384.12253	3.9
385.12955	16.3
386.13544	6.2
397.12836	2.4
398.13879	6.7
399.14575	24.5
400.15356	60.9
401.15530	6.7
411.14438	2.5
412.15408	7.9
413.16037	18.6
414.16913	25.4
415.17307	4.9
416.14816	1.2
418.16818	1.4
423.14716	1.6
424.15219	1.2
425.16254	1.8
426.16623	3.8
427.18188	10.3
428.18661	14.7
429.19278	51.4
430.19421	2.8
437.15921	1.1
441.14792	1.8
441.19507	3.1
442.16217	8.8
443.13400	3.2
443.17725	1.2
444.14270	11.8
445.14261	1.2
447.20203	1.4
453.15427	1.1
454.15787	1.5
455.17288	19.1
456.17947	7.6
457.14761	3.9
457.19177	2.7
458.15277	4.2
459.16620	5.4
466.12375	1.2
467.13297	1.7
468.18054	1.1
469.19379	1.3
472.17758	5.2
473.18338	19.9
474.19049	2.3
481.14682	2.5
482.15433	2.4
483.16431	13.6
485.15787	0.9
487.15927	5.7
495.16486	2.2
496.17230	1.6
499.16156	3.1
500.16864	1.1
501.17667	10.0
502.18250	3.2
511.20065	2.5
512.19592	1.5
514.18597	1.3
516.23773	10.7
523.16077	2.7
525.16895	1.4
527.15417	8.3
529.20673	1.5
539.19318	15.0
540.19580	20.1
541.19049	2.6
542.20190	1.2
543.22461	14.2
544.23242	30.6
545.23193	2.1
555.18573	3.4
560.22797	12.0
569.19891	1.8
570.21204	4.6
571.21912	57.3
572.22198	36.9
573.20593	4.6
575.25128	4.4
581.21356	1.2
585.23053	1.3
587.21307	6.6
588.22211	100.0
589.22394	5.5
601.22601	2.5
603.24634	5.1
615.21161	7.7
616.21118	12.9
619.24384	4.3
629.22449	16.7
630.22479	1.5
631.24115	6.7
647.23328	7.8
657.21930	20.2
658.21771	1.4
675.12512	1.7
675.23090	17.2
675.34369	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	674.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05511	1.5
56.05028	0.2
57.03446	0.3
57.07068	0.4
58.06591	0.2
61.02911	0.4
62.06089	0.6
62.99062	0.1
64.44373	0.1
64.77709	0.1
66.93949	0.2
67.05505	0.9
69.03441	1.1
69.07070	1.7
69.36161	1.6
70.06593	0.5
71.04970	0.3
71.07366	0.2
71.08637	5.2
72.08152	1.1
73.02901	0.2
77.47467	0.2
79.05484	0.9
81.03425	1.3
81.07066	1.9
81.45515	0.2
83.04991	0.3
83.08624	1.1
84.04514	0.2
84.08149	1.4
85.02912	1.4
85.06563	0.2
86.06071	3.8
87.00828	0.5
91.05484	0.3
93.07055	1.2
94.06563	0.3
95.05000	0.2
95.08614	1.4
96.08139	2.6
97.02904	1.0
97.06542	0.5
97.10162	0.3
98.06081	0.8
98.09705	2.1
98.21444	0.3
99.04485	0.4
99.08103	2.3
105.01881	0.2
107.08609	1.0
108.08112	1.5
109.02888	1.0
109.10166	0.4
110.09679	0.7
111.08061	0.3
112.07648	0.2
113.08345	0.4
114.09206	0.3
116.10743	17.3
117.01838	0.2
121.08849	0.2
121.10155	0.6
122.09679	1.5
124.07603	0.3
126.09158	0.5
127.03941	1.9
129.01855	0.3
133.10075	0.2
136.11241	0.6
140.10754	1.0
142.12247	0.2
143.10664	1.6
145.04988	0.2
149.12109	0.3
149.13261	1.1
152.14330	0.2
154.12204	0.2
154.15909	3.0
159.02917	0.2
159.11697	0.3
164.14328	0.5
165.09239	0.2
166.15929	2.4
166.51471	0.2
167.14297	0.6
168.17505	0.8
170.15324	0.2
178.15932	1.5
183.79527	0.2
193.25549	0.2
196.16998	7.0
213.03986	0.4
214.18034	100.0
215.18393	1.3
216.37843	0.2
231.04930	0.2
231.15877	1.7
238.18016	0.4
256.19073	0.8
257.17496	1.2
310.23776	1.7
321.17004	0.4
328.24854	4.9
376.23367	0.5
408.31091	1.2
418.24557	0.5
425.17996	0.2
426.32162	9.6
427.32269	0.2
462.23395	7.6
497.18198	0.5
530.57190	0.2
576.30164	0.5
674.37537	1.7
675.26575	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22131	0.3
53.03946	1.1
55.01871	0.9
55.05511	5.6
56.05037	0.4
57.03448	0.7
57.07074	0.9
59.05020	0.4
61.02918	0.4
62.06079	0.7
67.05510	3.0
68.99800	0.5
69.03431	4.7
69.07067	5.9
69.84218	1.9
70.06581	1.1
71.04987	1.1
71.07366	0.8
71.08629	4.3
72.08161	3.7
73.02914	0.5
73.06568	0.3
77.10998	0.4
79.05500	1.9
81.03425	4.6
81.07060	5.0
83.04985	0.9
83.08618	5.3
84.08119	1.7
85.02908	3.5
85.06557	0.6
86.06071	20.6
87.00837	1.6
91.05489	1.3
93.07043	3.4
94.06588	0.7
95.04968	0.6
95.08617	3.0
96.08136	3.5
97.02879	2.2
97.06531	2.1
97.10161	1.1
98.06073	1.6
98.09087	0.7
98.09695	9.8
99.04470	1.5
99.08102	3.7
100.07663	0.5
102.60855	0.3
105.01893	0.5
105.07038	0.7
107.08572	2.4
108.08125	2.6
109.02885	3.8
109.10159	1.9
110.09679	1.4
111.08094	1.3
114.09230	0.6
116.10735	56.2
117.11108	0.3
119.08595	0.7
120.08095	0.4
121.10163	1.4
122.09669	3.2
123.11742	0.5
124.07610	1.3
125.55821	0.3
126.09171	0.7
127.03922	7.0
136.11227	0.4
138.09192	0.5
140.10741	1.3
142.12279	1.7
143.10683	4.4
145.04990	0.9
149.13245	3.0
152.10699	0.8
159.02884	0.5
159.11789	0.5
163.03929	0.6
166.15950	0.6
167.14337	1.4
177.12659	0.5
188.27141	0.3
196.16963	0.6
213.03952	0.8
214.18025	9.9
214.19969	0.7
219.61787	0.4
231.04933	0.5
231.15984	1.5
238.17978	0.9
239.16371	2.7
256.18988	0.5
256.83771	0.3
257.17450	5.5
262.21765	0.6
264.23236	0.7
268.22891	0.6
274.21609	1.2
278.20984	0.4
280.22797	0.5
292.22705	3.6
306.88156	0.4
310.23770	19.2
311.24118	0.4
328.24823	100.0
329.12427	0.6
329.25049	2.2
347.13437	1.3
408.30908	2.4
426.32169	20.4
427.32352	0.3
462.23386	0.8
490.29953	0.9
497.18448	0.6
532.31177	1.6
558.29181	1.4
576.30127	16.9
577.31073	0.4
628.90436	0.3
630.38232	0.8
656.36981	0.7
674.37592	3.7
675.26654	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	673.3399
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
52.74695	0.3
53.88601	0.4
55.05503	1.3
62.60791	0.3
64.95086	0.4
67.05508	1.2
69.07056	0.9
79.05492	0.9
81.07065	1.8
83.08584	0.5
85.02921	0.8
86.06083	0.4
91.05489	0.6
93.07030	0.7
95.08620	1.2
96.08124	0.6
97.02915	0.8
98.21539	0.9
99.04454	0.5
105.01817	0.5
105.07032	1.0
107.08620	1.2
109.02905	0.6
109.10129	0.6
119.08600	0.8
121.10149	1.0
122.09663	0.6
122.61586	0.4
125.05804	0.4
127.03922	0.9
133.10136	0.5
142.08641	0.8
163.03918	0.7
185.04292	0.8
191.17897	0.7
203.05341	1.8
212.16428	2.5
213.16824	1.5
238.18007	2.6
239.18286	2.6
256.19122	8.3
257.19449	5.8
259.07965	0.8
327.31387	0.4
329.51346	0.4
347.09470	1.4
365.10648	2.7
421.13425	1.1
425.31055	0.7
460.14972	0.5
511.28833	20.5
512.29291	0.8
621.25922	0.5
673.34039	100.0
674.34540	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
52.27880	0.5
53.03945	0.8
55.01865	1.1
55.05515	4.9
57.03447	0.8
57.07074	0.6
61.02902	0.7
62.06097	0.7
62.74709	0.5
63.77881	0.5
67.05487	1.8
69.03435	4.1
69.07073	5.0
69.81212	1.7
69.81629	0.8
70.06583	1.5
71.08636	3.6
72.08152	2.8
73.02916	0.6
79.05483	2.0
81.03416	3.1
81.07068	4.6
83.08614	3.8
84.08151	1.4
85.02904	3.3
86.06074	19.9
87.00824	1.8
91.05485	0.8
93.07051	3.2
95.04961	0.5
95.08612	2.6
96.08121	2.9
97.02886	2.3
97.06538	2.2
97.10175	0.9
98.06071	1.3
98.09698	9.0
99.04465	1.4
99.08102	3.3
105.01865	0.9
107.08596	2.4
108.08119	3.1
109.02903	3.5
109.10146	1.3
110.09672	1.0
111.08046	1.2
112.07587	0.6
114.09187	1.0
116.10738	51.2
117.01881	0.5
119.08576	0.6
121.10132	1.0
121.16617	0.5
122.09678	2.9
124.07552	0.9
125.13229	0.5
127.03912	5.6
128.28967	0.6
129.01866	0.6
133.10149	0.7
136.11221	1.2
140.10707	1.3
142.12288	1.5
143.10686	3.9
145.04973	1.0
149.13277	4.0
154.15845	0.5
159.02867	1.2
166.15901	0.7
167.14369	1.4
187.05960	0.8
196.17029	0.7
213.04021	0.8
214.18025	11.6
218.27095	0.5
231.04953	1.0
231.15939	1.2
238.18027	0.7
239.16475	2.6
257.17447	4.3
262.21729	0.8
264.23010	0.7
268.22586	0.8
274.21729	0.9
292.22623	3.1
310.23761	18.3
328.24835	100.0
329.12479	0.6
329.25079	2.6
347.13351	1.0
408.31076	2.6
426.32159	20.1
427.32693	0.7
462.23260	1.4
532.31183	2.2
558.28711	1.8
576.30090	20.0
577.30060	0.7
630.37964	0.7
656.36047	0.9
674.37762	4.2
675.26294	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	673.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98653	0.8
70.79054	1.5
75.89400	0.8
77.16399	0.8
79.05476	1.3
79.22804	0.7
85.02876	1.2
86.06074	8.3
87.06406	1.2
88.57900	0.8
92.13157	0.7
93.07042	1.9
94.06555	2.3
95.07343	2.0
96.08133	5.0
108.08110	4.5
110.09676	8.2
120.04327	0.7
120.08098	7.0
122.06023	2.5
122.09669	1.2
127.03876	1.0
134.05998	1.0
135.04424	1.4
136.07590	4.0
138.08246	1.1
138.09160	10.6
141.39281	1.1
142.08977	0.8
145.10039	0.9
148.07576	1.8
163.03922	1.5
163.87663	0.8
166.08653	13.6
209.10753	2.8
225.10263	1.3
235.08682	3.4
236.09431	3.2
237.10220	16.9
249.10284	10.9
250.11014	2.9
251.08177	1.0
251.11838	5.0
253.09692	1.8
256.19138	1.4
261.10217	2.2
263.08228	1.2
263.11777	1.7
264.08929	7.6
265.09641	7.2
267.11279	2.8
276.09048	1.1
277.09717	11.0
278.07443	1.0
278.10483	4.5
279.07932	1.8
279.11264	9.8
279.24304	1.0
280.08231	1.0
280.11899	1.3
281.09225	3.7
281.12610	1.1
283.10681	1.0
285.38083	0.8
289.09866	1.0
291.07779	1.5
291.11035	0.8
292.11954	0.9
293.09253	39.8
293.12756	5.5
294.09885	1.5
295.10666	3.6
305.09271	8.5
306.10098	1.3
307.10779	10.2
309.08691	2.2
309.12283	3.4
311.10278	2.2
311.13754	1.5
312.11182	0.8
313.11987	1.5
323.10226	5.7
324.10986	1.7
325.11761	3.4
327.13483	1.8
333.08853	5.0
337.11816	3.4
338.12671	1.1
339.09970	1.1
339.13480	7.9
343.13217	1.0
351.09750	20.7
353.11227	2.1
353.15070	1.0
354.12073	2.1
355.13028	2.2
365.11316	3.2
366.12082	3.5
367.12811	2.4
368.13901	1.8
370.11447	1.7
371.12442	2.8
382.15524	1.4
383.12454	6.8
384.12610	1.0
384.17212	1.7
385.13861	2.4
397.13858	6.6
398.14737	2.8
410.15091	1.0
418.17529	2.7
428.15732	1.1
438.14505	2.7
446.17108	12.3
456.15765	4.5
458.17004	1.4
476.18423	4.1
478.19623	11.7
479.18204	0.9
488.17850	3.0
490.19586	2.0
518.18915	2.3
519.19720	3.0
536.20331	5.0
550.21875	45.7
551.22626	100.0
552.23065	4.4
591.21747	1.2
609.23700	3.9
623.24603	2.1
641.26251	10.1
642.25232	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	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50354	0.4
65.03954	0.4
66.91634	0.4
67.05507	1.6
69.07073	0.4
69.53368	0.5
69.53780	2.0
70.91089	0.3
79.05505	0.9
81.07038	0.5
82.06557	0.4
89.03950	0.9
91.05471	0.6
93.05780	0.4
93.07029	0.4
94.06597	1.9
95.04977	0.6
95.07336	0.4
95.08628	0.6
96.08131	1.5
106.06573	0.8
108.08119	1.6
109.10148	0.4
110.09678	1.2
116.05003	2.6
118.06569	0.5
120.04500	0.7
120.08107	1.6
122.06027	5.8
124.07616	4.9
130.06508	0.6
133.10165	0.4
135.04358	0.4
135.11656	0.4
136.07582	2.8
138.09164	1.8
140.07042	1.0
144.04451	4.5
146.06020	0.8
147.11697	0.4
148.07591	1.0
150.05495	2.9
152.07085	0.9
154.06314	0.4
159.48569	0.3
160.03896	0.4
160.07681	0.4
162.05525	1.8
163.03929	1.4
164.07079	0.4
165.09126	0.4
166.08673	2.2
168.06551	1.4
168.07979	0.3
170.09557	0.4
170.86844	0.4
172.03947	20.5
172.07573	1.0
174.05612	0.4
182.08163	1.5
182.55177	0.4
184.07492	0.4
184.11311	0.5
185.10707	2.2
186.05499	0.3
186.09129	0.5
187.12228	0.7
190.04994	6.4
196.07593	0.5
197.08498	0.5
197.10764	0.5
198.09241	2.5
199.08551	0.6
199.12325	0.9
200.09244	0.4
201.10204	3.2
204.06575	29.4
205.07027	0.4
211.08536	0.7
212.10931	1.8
213.10201	3.2
213.13985	0.5
214.07120	0.4
214.10950	1.0
215.11823	2.7
218.08319	0.5
223.08701	0.5
224.07144	0.5
225.10231	4.1
226.10803	0.4
227.08174	3.2
227.11560	1.5
228.12636	1.4
229.09778	2.6
229.13274	1.7
239.11844	1.0
240.10175	1.0
241.09726	5.5
241.13365	2.7
242.10535	11.5
243.11292	5.8
244.09753	0.5
244.12077	1.3
247.10793	0.6
249.10257	0.6
251.08110	0.4
252.09009	0.4
255.11273	2.4
256.12070	8.4
257.10428	0.7
257.12836	9.8
258.11240	1.4
258.13681	1.9
265.34787	0.4
267.11316	1.2
269.09363	0.4
271.14453	0.6
272.12701	0.6
279.11316	1.4
283.10834	0.5
284.11539	6.2
285.12305	4.9
286.12967	0.5
287.10193	1.9
289.15460	4.4
297.12244	1.0
299.10574	0.3
299.13925	0.7
301.11917	0.5
302.12674	3.3
303.13272	0.5
308.11591	0.5
315.13324	0.7
317.14975	100.0
318.15384	2.8
325.11850	9.6
329.11270	1.5
329.14874	0.5
339.13535	0.5
343.13016	2.0
356.13965	0.5
357.14566	3.3
368.13992	0.4
416.15866	0.5
430.17554	0.3
432.19153	0.9
456.15091	0.5
458.16806	0.4
476.18222	1.7
488.18274	1.7
508.21198	0.5
542.57312	0.4
597.27063	2.6
609.23370	2.4
613.26428	1.1
623.24573	1.1
641.16479	0.6
641.26196	8.5
642.26349	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	673.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01869	0.7
55.05500	1.5
57.03434	0.7
61.02928	2.2
65.03931	0.6
67.05502	3.4
68.96612	0.5
69.03407	1.9
69.07056	1.1
70.05967	0.4
71.58468	0.4
73.02913	0.9
79.05492	2.1
81.03435	2.4
81.07063	4.0
83.04969	0.7
83.08608	0.6
85.02906	3.4
87.00854	0.6
89.03909	0.8
91.03955	1.0
91.05498	3.7
93.07028	2.5
94.06564	2.1
95.04959	1.4
95.08633	2.3
96.08129	1.1
97.02900	1.5
97.06537	0.9
99.04446	0.8
100.60516	0.4
103.05460	0.4
105.07036	3.9
106.06563	0.6
107.04958	1.1
107.08597	1.8
108.08116	2.1
109.02866	0.7
109.06492	0.5
109.10170	1.1
110.09711	0.7
111.04366	0.4
111.54800	0.5
115.05399	0.5
116.04955	1.0
117.06995	0.7
119.08565	3.1
120.08100	1.3
121.10134	1.9
122.06030	4.7
124.07603	4.9
127.03946	2.3
129.07001	0.5
131.08575	2.2
133.09241	0.5
133.10159	3.0
134.05998	0.7
135.04422	1.3
135.11690	0.5
136.07576	3.2
138.09137	2.0
140.07063	1.3
144.04410	4.0
145.05035	0.6
145.10112	2.0
147.11684	1.2
148.07610	1.1
149.09624	0.7
149.13329	0.6
150.05505	2.4
152.07095	1.3
155.08614	0.5
157.10118	0.7
159.11668	1.3
160.04085	0.5
161.13222	0.6
162.05507	1.6
163.03883	3.1
163.11224	0.5
166.08714	1.1
168.06592	1.2
168.07939	0.7
172.03944	16.5
172.07625	1.4
173.13309	0.9
177.12755	0.7
179.14281	0.7
182.08145	1.8
182.09671	0.8
184.07579	0.5
185.10733	2.2
186.09187	0.6
187.14772	0.7
189.16429	0.5
190.05016	6.3
197.08374	0.6
197.10846	0.6
198.09175	2.5
199.08569	1.0
199.12334	0.7
201.10266	3.0
201.16476	0.6
204.06575	22.5
211.08478	0.8
212.10739	2.0
212.16432	0.5
213.10164	3.8
213.16267	0.5
214.10896	1.0
215.11800	3.0
218.08160	0.7
225.10194	3.4
226.07153	0.6
226.10870	1.0
227.08188	2.5
227.11833	1.6
228.12572	1.3
229.09795	2.5
229.13295	1.4
239.11879	1.6
240.10329	0.9
241.09744	7.1
241.13373	3.5
242.08078	1.1
242.10493	10.9
243.11264	3.8
244.12129	1.1
251.08086	0.5
251.11761	0.6
253.09717	1.3
255.11336	3.0
256.12061	9.0
257.10519	0.7
257.12878	10.7
258.11212	1.4
258.13644	1.6
264.08878	0.6
267.08719	0.5
267.11252	2.1
269.09357	1.0
269.12747	0.6
271.14371	0.5
272.12796	0.6
274.13348	0.6
275.20099	5.7
279.11267	1.2
283.10861	0.6
284.11572	7.1
285.12393	2.6
287.10330	1.6
289.12012	0.9
289.15512	4.3
295.10757	0.8
297.12402	1.4
301.11749	0.8
302.12708	4.6
303.13495	0.5
312.11157	0.6
315.13538	0.7
316.14023	0.6
317.14969	100.0
318.15433	2.6
325.11838	9.8
329.11386	1.4
332.41446	0.5
339.13440	0.7
343.12915	2.6
349.23743	1.7
351.09772	0.7
357.14438	2.9
363.73621	0.5
388.16489	0.7
407.32944	1.1
426.71786	0.5
447.17960	0.5
448.18671	0.8
476.18097	1.1
488.18271	0.6
493.27957	1.0
508.21054	0.6
520.20587	0.6
534.18579	2.8
551.19440	0.7
552.19305	1.1
597.26855	2.8
609.23230	2.0
613.26379	1.0
641.16351	0.7
641.26074	8.2
655.27844	1.0
673.37292	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	673.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	1.1
64.49135	0.2
67.05498	0.7
69.07076	0.5
71.08633	0.8
73.06566	0.4
79.05504	0.6
81.07057	1.0
83.08615	0.3
83.55201	0.3
85.10202	0.8
87.04492	0.4
89.06035	5.0
91.05496	0.4
93.07050	0.7
95.08632	0.4
97.10136	0.3
98.20987	2.2
105.07054	0.3
107.07034	0.3
108.73770	0.2
109.10149	0.6
117.09164	0.3
131.08635	0.3
133.08607	2.6
145.10074	0.4
159.11720	0.3
177.11267	0.9
191.05061	0.3
279.80551	0.3
399.27469	0.3
440.67966	0.3
497.20050	0.6
511.17133	0.4
523.17352	3.0
524.18414	0.8
541.18573	3.8
555.20227	0.7
556.20605	1.2
559.23358	0.3
581.20221	0.3
595.19507	0.7
599.22778	1.1
615.92474	0.3
634.35052	0.3
641.24042	0.5
642.24469	4.3
643.25568	1.2
673.26373	100.0
674.26587	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	673.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03944	0.5
55.05532	0.7
56.05025	1.6
61.41097	0.5
63.02367	1.4
65.03973	0.7
67.05494	1.9
69.03424	0.9
69.07069	0.7
69.48308	4.6
73.24673	0.6
79.05489	2.5
81.03419	1.4
81.07050	1.8
84.08149	32.3
85.02913	0.9
89.03927	9.6
91.05469	1.2
93.03437	1.2
93.07037	1.0
95.08622	1.4
103.05446	1.1
105.07012	0.7
107.04959	3.8
107.08590	1.1
109.02946	0.7
109.10159	1.0
111.04465	3.3
111.11565	0.5
116.69161	0.5
117.03397	9.9
119.04961	0.7
119.08578	0.8
123.04436	12.0
127.03892	1.0
129.10326	0.7
130.08644	3.1
131.04951	1.7
133.02859	1.2
135.04428	25.6
136.04796	0.6
137.02367	3.7
139.03923	3.7
139.04839	0.6
145.02864	14.8
145.03995	1.2
147.04413	2.5
147.11307	1.1
159.04420	1.3
160.05199	2.5
161.05960	0.9
163.03922	100.0
164.04257	2.7
165.07030	1.2
167.08681	0.6
173.02380	1.8
175.03867	1.2
177.05411	0.8
181.04973	3.0
181.06418	0.9
187.04001	0.7
191.03413	6.9
193.06519	0.9
197.06027	1.4
204.04260	0.6
204.06606	1.4
205.06615	1.1
215.07126	0.7
221.05995	3.6
222.06726	1.3
223.07603	2.4
239.07057	2.4
245.59189	0.7
249.05463	3.5
250.06084	1.2
251.07068	2.8
252.03394	0.6
255.06546	4.6
256.19150	1.3
265.04996	1.5
267.06485	5.7
268.07330	12.9
269.08105	2.3
271.06070	1.1
278.05737	1.2
279.06522	1.5
283.06070	1.0
285.07578	2.7
291.06421	1.1
293.08585	0.7
295.06021	9.0
295.10733	0.8
296.06592	1.0
297.07510	1.7
313.07104	8.0
314.07980	1.3
315.08737	0.9
319.05865	3.1
321.07730	1.1
331.08066	0.7
337.08124	1.4
339.13535	0.6
344.29562	3.2
345.41946	0.6
347.05496	3.0
355.09579	1.2
365.06775	1.8
383.08807	1.3
387.08719	0.7
401.10049	1.8
407.32727	10.7
411.08374	1.3
414.13431	0.6
425.33942	1.3
429.09601	5.8
438.08521	0.6
445.08420	0.7
447.10953	1.0
457.09308	2.5
475.10339	1.4
493.11389	4.4
532.20996	0.7
550.21796	1.1
551.22491	1.1
655.14716	0.9
673.16437	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	673.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.6
69.03439	3.0
69.07054	1.4
70.09998	4.0
79.05489	2.7
81.03427	3.8
83.08623	1.4
85.02914	3.8
86.06071	2.0
89.03910	7.4
91.05486	3.6
93.03398	2.6
93.07010	1.7
95.04966	1.4
95.08611	1.8
97.02908	2.0
98.21422	1.8
105.07026	3.1
107.04974	4.5
107.08652	1.9
109.02863	2.0
111.04458	7.4
117.03384	8.9
119.08604	2.0
122.62620	1.2
123.04432	27.4
127.03925	1.6
128.53564	1.3
131.04904	3.2
133.02844	4.5
133.10110	2.0
134.03757	1.3
135.04416	25.7
137.02336	4.2
139.03896	12.8
145.02859	11.5
147.04414	4.6
147.11688	1.6
151.03951	2.5
159.04462	2.3
159.11696	1.5
160.05234	6.6
161.02293	1.5
161.05991	3.1
163.03922	100.0
164.04253	3.9
165.06976	2.2
173.02339	5.8
175.03983	2.9
181.03505	1.2
181.04990	5.7
181.06396	1.5
191.03438	13.0
197.06030	2.3
201.16460	2.1
205.04924	2.1
211.07437	1.3
212.16483	2.1
221.05940	6.2
222.06747	2.0
223.07597	3.3
233.06053	2.1
238.17960	1.8
239.07007	3.2
247.07553	1.9
249.05547	4.5
250.06276	2.1
251.07048	7.0
255.06522	7.5
256.19159	3.6
257.08084	1.7
267.06555	5.5
268.07288	19.3
269.08145	8.4
285.07751	2.5
295.06033	16.7
296.06528	2.6
313.07098	11.8
314.07877	8.9
315.08640	1.6
319.05963	5.2
321.07581	2.6
331.08014	1.5
337.08362	1.6
342.33643	1.5
347.05511	4.8
355.09778	1.8
365.06726	5.1
411.08768	3.3
429.09808	8.8
439.07849	1.5
457.09302	3.8
475.10196	1.9
493.11383	8.6
551.22552	1.9
563.11530	4.9
566.89178	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	672.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.05044	0.7
56.44667	0.2
58.06620	0.5
60.08170	6.4
62.31435	0.2
62.77366	0.2
65.49486	0.2
67.05508	0.8
69.07091	0.2
71.07376	3.6
71.60075	0.2
79.05501	0.3
81.07076	0.5
86.09711	31.5
91.05469	0.3
93.07009	0.2
95.08622	0.3
98.98467	3.6
99.84523	0.2
104.10751	2.2
109.10194	0.5
119.08605	0.3
122.57070	0.2
125.00014	20.4
143.01088	0.2
184.07355	100.0
185.07736	0.6
197.04504	0.4
212.01973	0.2
220.38002	0.2
229.14322	0.5
308.20865	0.2
412.20587	0.3
461.32510	0.3
672.42456	3.2
673.42346	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	672.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.3
57.05097	1.2
57.07081	28.0
69.07066	4.0
69.24749	13.5
71.08640	31.7
73.06570	8.4
80.03608	1.2
81.07059	3.6
83.08636	3.6
85.10188	16.3
87.04443	9.2
89.06037	100.0
93.07048	1.8
95.08637	1.4
97.10155	6.7
99.11738	3.0
107.07030	1.6
111.11734	2.4
113.13274	1.7
117.09119	8.3
127.14895	1.9
130.08601	2.4
131.07095	2.7
133.08609	52.5
141.16452	1.8
161.11693	2.0
175.09685	1.7
177.11235	21.8
196.96890	1.4
197.22777	1.8
221.13881	4.7
239.14998	1.6
241.25378	1.7
283.17487	1.7
285.27942	5.3
324.38025	1.7
329.30499	3.1
341.48190	1.5
413.54163	1.7
415.25235	1.8
459.28470	4.0
541.18768	2.3
642.24261	2.9
655.50092	2.5
673.26392	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	0.6
67.05482	0.3
70.87599	0.5
70.87921	0.3
71.31162	0.3
72.33842	0.3
77.03899	0.3
79.05502	1.5
81.03403	0.3
81.07035	0.4
86.06089	0.3
89.03915	11.3
91.05498	0.4
91.47146	0.3
93.07054	0.3
95.04964	0.5
105.03417	0.3
107.04955	2.6
117.03384	11.3
123.04440	4.7
126.11011	0.3
131.04979	0.5
133.02852	0.5
134.28822	0.3
135.04420	22.9
137.02359	2.3
139.03889	0.8
142.08595	0.4
145.02852	13.4
145.04007	0.7
147.04449	1.5
159.04439	0.4
160.05197	0.6
161.05983	0.9
163.03911	100.0
164.04239	1.3
165.06985	0.4
165.09087	0.6
169.06433	0.3
175.03915	0.6
177.05508	0.5
177.07156	0.4
179.03433	0.4
181.04924	0.5
186.05525	0.3
191.03410	1.5
193.06519	0.3
197.06039	0.6
205.04863	0.5
205.06517	0.8
209.04390	0.6
212.16382	0.8
215.06990	0.6
221.06073	1.9
223.07571	1.2
225.05530	0.4
233.06215	0.5
237.05602	0.5
238.18063	0.7
239.07036	1.2
249.05530	1.9
250.06088	0.6
251.07016	1.3
253.05070	0.4
255.06546	1.2
265.05035	0.5
267.06638	2.3
268.07330	4.1
269.08096	1.3
271.06140	1.5
279.06604	0.6
283.06067	0.9
285.07605	3.6
293.07870	0.6
295.05930	1.5
297.07584	0.4
313.07031	4.7
314.07779	1.1
315.08569	0.5
319.06192	0.5
325.06857	0.4
331.08179	1.1
337.08072	0.4
383.08469	0.5
401.10074	1.0
405.30374	0.3
429.09555	1.1
447.10739	1.3
457.09314	0.4
475.09729	0.4
493.11292	6.5
494.12109	0.3
500.18149	0.5
518.18964	1.3
550.21985	2.2
649.49731	0.4
673.38440	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	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.05513	4.2
57.03445	4.8
57.07080	36.2
59.05030	0.7
61.02642	0.9
61.02932	12.5
67.05180	0.8
67.05511	9.8
69.03417	1.5
69.07076	8.2
71.08638	29.3
71.38507	1.4
73.02927	4.3
75.04479	1.7
79.05508	1.7
81.03431	0.8
81.07066	16.7
83.08631	13.1
85.02914	15.3
85.06561	0.7
85.09709	1.3
85.10191	17.7
89.06083	0.9
91.03960	13.0
92.84035	0.7
93.07041	1.0
95.08617	23.1
97.02905	8.3
97.10168	4.5
99.04446	0.8
109.02894	1.1
109.10160	10.7
111.11720	1.4
119.08553	1.0
121.10201	1.0
123.11685	5.1
125.13239	1.0
127.03933	5.1
132.08896	0.6
137.13231	2.4
145.04973	5.6
151.14780	0.8
151.31586	0.7
163.06038	9.2
165.16473	0.9
215.97134	0.8
231.66855	0.8
231.88158	0.7
239.23721	25.0
257.24811	4.6
280.06711	0.8
313.27380	100.0
314.27792	2.7
331.28400	22.6
436.71640	0.8
475.32651	2.4
697.18915	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	672.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
53.49393	0.7
55.05516	5.4
57.03447	3.4
57.07079	44.0
59.76339	0.6
61.00646	0.5
61.02930	15.5
67.05513	12.2
69.03422	2.2
69.06721	0.7
69.07073	8.3
69.92789	2.9
71.08638	32.8
71.49944	0.5
73.02926	5.7
75.04479	2.0
79.05478	1.9
81.03419	1.8
81.07065	15.8
83.08141	0.9
83.08623	14.1
84.04366	0.6
85.02907	19.9
85.10188	19.9
88.40733	0.7
89.06039	0.7
91.03963	15.7
91.05474	1.1
93.07052	1.3
94.28894	0.6
95.05017	0.8
95.08614	28.2
96.41643	0.5
97.02908	9.8
97.10173	6.5
99.04455	0.7
99.11756	1.5
101.73309	0.6
109.02831	0.9
109.10159	12.6
111.11724	1.5
115.03889	0.8
121.10149	0.7
123.11710	4.8
127.03935	5.2
137.13248	2.3
140.00069	0.6
145.04973	8.5
151.14789	1.0
163.06027	10.4
165.16409	0.6
221.22667	0.9
228.71669	0.7
239.23721	26.8
240.23994	0.7
257.24802	6.2
278.30261	0.6
313.27380	100.0
314.27545	3.1
331.28439	31.3
370.88983	0.8
481.22757	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	672.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31100	0.7
55.01875	2.0
55.05514	3.7
56.69856	0.8
57.03435	1.5
57.07072	1.0
61.31764	0.7
67.05496	4.1
69.03430	4.5
69.07064	7.5
70.06580	1.4
71.04982	1.2
72.08145	1.8
73.02920	1.4
79.05487	4.3
81.03427	5.0
81.07066	6.4
82.06590	1.2
83.04982	0.7
83.08624	3.4
85.02920	4.9
85.06544	1.0
86.06069	13.6
87.00842	1.2
91.05478	2.1
93.07048	5.0
95.04988	1.2
95.08602	3.2
96.08131	10.0
97.02890	1.9
97.06530	1.1
97.10162	1.5
98.06063	3.6
98.09683	2.6
99.04467	3.5
105.01888	0.9
105.07024	1.2
107.04897	0.6
107.08602	4.6
108.08127	2.1
109.02858	3.3
109.06538	1.6
109.10171	1.0
110.09669	3.5
111.08089	0.9
112.07635	1.2
114.09174	1.0
116.10748	7.2
119.08582	1.1
121.10126	2.0
123.08056	0.9
124.07590	2.9
124.11221	1.5
126.99943	0.7
127.03973	3.2
133.10086	0.9
134.09682	1.6
136.11211	1.1
138.09140	1.2
142.07555	1.2
142.08647	16.1
145.04980	1.0
149.13274	3.4
151.11211	3.3
152.10689	1.5
154.12271	2.6
163.03903	0.8
166.15915	8.1
169.12289	3.6
194.15427	3.3
204.63884	0.6
210.18602	2.6
212.16466	81.3
213.16818	1.0
229.14624	1.0
238.18027	44.4
256.19095	100.0
257.17282	4.0
257.19751	1.5
310.23651	0.9
328.24619	1.0
363.25308	2.0
406.29425	3.4
424.30597	46.3
425.31012	1.5
454.89215	0.7
475.31210	1.2
504.24319	5.8
628.36810	7.6
672.35852	19.1
673.35870	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	672.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69001	0.3
55.01873	1.9
55.05518	3.1
57.03426	0.9
57.07061	0.8
60.04498	0.4
61.02914	0.5
62.06078	0.7
67.05506	3.2
68.99795	0.3
69.03440	4.0
69.07075	7.4
69.65579	2.1
70.06559	1.1
71.04973	1.0
71.08592	0.6
72.08142	0.8
73.02898	1.2
79.05497	2.9
81.02989	0.4
81.03426	5.3
81.05806	0.5
81.06646	0.4
81.07068	4.7
82.03610	0.3
82.06558	1.5
83.04945	0.5
83.08630	3.5
84.04464	0.5
84.08121	1.4
85.02912	4.7
85.06540	0.6
86.06077	12.9
86.09702	0.8
87.00842	2.6
89.03930	0.4
91.05452	1.3
93.07058	4.0
94.06559	0.6
95.04939	0.7
95.08608	3.0
96.07569	0.6
96.08141	9.7
97.02907	2.6
97.06510	1.4
97.10141	0.7
98.06067	3.2
98.09708	2.0
99.04476	3.9
100.07608	0.5
105.01853	1.1
105.06989	0.6
107.08606	3.9
108.08138	2.6
109.02879	3.1
109.06490	1.3
109.10142	1.2
110.06029	0.3
110.09692	4.1
111.08086	0.9
112.07583	0.8
114.09157	1.0
116.09997	0.5
116.10741	6.1
116.11520	0.6
117.07011	0.5
120.08079	0.6
121.08846	0.7
121.10119	1.0
122.09633	1.4
123.04436	0.6
123.08051	0.8
123.11695	1.2
124.07599	3.8
124.11237	1.6
126.09147	1.0
127.03918	4.2
131.08585	0.6
133.10126	0.9
134.09647	1.2
135.04417	0.7
135.11700	0.3
136.11255	1.6
137.02264	0.3
138.09116	1.3
140.10710	1.0
142.08652	14.0
145.02849	0.3
145.04927	1.0
145.26044	0.3
147.11751	0.4
149.13255	2.1
149.14331	0.4
151.11192	2.4
152.10695	1.0
154.12242	2.1
159.02878	1.1
159.11667	0.4
161.06097	0.4
163.03932	3.7
164.04230	0.6
164.14325	0.6
166.08621	0.9
166.15930	10.1
168.13890	0.4
169.12263	3.4
170.11795	0.4
176.14273	0.8
194.15448	3.0
210.18475	2.0
212.16476	85.7
213.16832	1.2
221.05913	0.4
231.44037	0.3
238.18042	42.0
239.18440	0.8
256.19104	100.0
257.17194	3.6
257.20020	1.9
296.06339	0.4
310.23834	0.9
313.06866	0.4
314.07562	0.4
328.24854	0.9
339.92352	0.3
345.24356	0.7
363.25327	2.6
364.24881	0.6
388.28479	0.5
406.29556	3.5
416.22894	0.9
424.30615	45.4
425.31152	1.6
460.21558	3.1
504.24451	4.4
526.38184	0.4
550.22192	0.6
551.22760	1.2
567.31824	0.4
610.36627	0.4
628.36951	7.1
654.34442	0.8
672.35950	17.8
673.36340	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	672.359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26814	0.4
55.01842	1.9
55.05513	3.6
57.03411	1.2
57.07071	0.6
59.28579	0.5
61.02895	0.7
62.06052	0.7
67.05505	2.6
69.03443	5.0
69.07077	6.6
70.06574	1.1
71.04965	0.4
71.08620	0.5
72.08127	0.5
73.02887	1.0
73.06537	0.8
77.04902	0.5
79.05463	1.9
81.03419	4.2
81.05798	0.5
81.07058	3.9
82.06553	1.2
83.04967	0.7
83.08624	3.5
84.08131	1.3
85.02914	3.9
85.06530	0.8
86.06076	13.5
87.00793	1.8
89.03870	1.1
91.05482	0.8
93.07063	3.5
94.06497	0.5
95.04928	0.7
95.08582	2.0
96.08136	10.0
97.02888	2.4
97.06493	1.2
97.10150	0.8
98.06068	3.2
98.09706	4.4
99.04465	3.2
105.01839	0.9
105.07019	0.9
105.12389	0.5
107.08593	3.5
108.08136	2.9
109.02905	3.9
109.06534	0.9
109.10124	1.3
110.09685	3.6
111.08096	1.0
112.07600	0.9
114.09143	0.9
116.10748	6.6
117.01853	0.5
117.03374	0.8
121.08909	0.6
121.10139	1.4
122.09655	1.1
123.04390	0.7
123.08098	0.5
123.11671	1.1
124.07618	3.0
124.11230	1.4
126.09149	0.9
127.03918	4.2
134.09656	1.0
135.04442	3.0
136.11201	0.7
138.09148	0.7
140.10736	0.6
141.09109	0.5
142.08643	12.8
142.12323	3.5
142.55228	0.5
145.02834	1.3
145.04997	1.1
149.13255	2.2
151.11168	2.2
152.10727	1.1
154.12309	2.9
159.02762	1.0
159.11763	0.5
163.03920	13.7
166.08698	0.9
166.15930	8.0
169.12256	2.8
170.11806	0.7
176.14351	1.0
194.15437	3.6
210.18542	1.7
212.16475	84.4
213.16843	2.2
238.18037	39.9
239.18369	0.8
256.19101	100.0
257.17303	4.2
257.19235	1.0
257.19849	0.9
310.23764	0.6
313.06982	0.8
326.23331	1.2
328.24899	1.0
345.24341	0.8
363.25415	2.1
406.29608	4.1
416.22836	0.8
416.41855	0.5
424.30618	43.7
425.30920	2.1
451.29840	0.6
460.21921	2.5
493.12201	0.7
504.24429	3.9
550.21942	0.8
574.29248	0.7
628.37000	6.9
672.35980	17.6
673.35675	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	671.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03952	9.1
55.01872	1.9
55.05504	3.4
57.03435	4.3
57.07079	1.3
61.02920	1.5
63.42981	0.8
67.05509	5.4
68.99792	3.4
69.03433	45.2
69.07070	5.5
70.32905	3.5
71.04996	9.2
79.05499	3.2
81.03421	47.8
81.07069	7.8
83.08642	2.7
85.02908	37.1
87.00830	16.3
91.05472	5.7
93.07058	9.5
95.08611	12.5
97.02895	8.5
97.06511	1.2
98.20855	1.1
99.04459	16.2
102.10481	0.8
105.01862	5.1
105.07035	9.2
107.08602	13.3
109.02886	41.5
109.06538	1.2
109.10159	8.4
111.04417	1.2
111.08076	1.1
117.07058	1.6
119.08585	10.5
121.06512	1.7
121.10159	11.7
123.04583	0.8
123.08090	1.5
123.11718	3.2
127.03922	100.0
128.06206	1.3
129.01848	2.8
129.06967	1.5
131.08560	4.7
133.10149	8.2
135.04361	0.9
135.08075	3.8
135.11682	8.8
137.09660	1.9
137.13289	1.4
139.03967	0.8
141.06987	1.3
142.07841	1.4
143.08615	4.4
145.04971	2.5
145.10124	8.7
147.08058	3.0
147.11729	5.7
149.13266	5.8
155.08620	2.2
156.09358	1.3
157.10117	5.3
159.02878	1.1
159.08080	4.6
159.11687	6.2
161.09590	5.4
161.13268	3.3
163.03920	1.9
163.11281	1.4
163.14850	3.0
169.10110	2.7
171.08101	2.6
171.11729	4.1
173.09660	2.3
173.13287	4.8
175.11174	2.3
175.14793	4.1
177.16394	2.6
179.14311	1.6
181.10120	1.1
183.11710	5.0
185.09633	2.8
185.13213	2.5
187.11185	3.8
187.14819	5.9
189.12769	2.5
189.16469	4.4
190.51649	0.8
191.14420	1.4
191.17981	1.3
197.13281	2.2
199.11188	3.9
199.14818	2.3
201.12749	3.1
201.16431	3.1
203.14337	13.7
205.15872	6.7
209.13266	2.5
211.14870	2.7
213.03874	5.3
213.12729	2.7
213.16455	2.4
215.14326	3.2
215.17993	2.8
217.15915	3.5
219.11800	1.2
219.13718	1.9
221.13423	1.0
225.16318	1.9
227.14337	1.6
227.17953	3.2
229.15907	5.2
231.05009	35.2
231.17552	1.1
237.16422	1.3
239.14403	1.4
239.17949	1.3
241.15863	2.0
241.19484	1.2
243.17389	1.2
249.06136	2.3
249.16435	1.2
251.17963	2.8
253.15804	1.2
253.19582	3.4
255.17381	2.8
257.19049	2.4
263.17715	0.9
267.17636	0.9
267.20947	1.9
269.19095	5.2
271.20624	1.7
291.21243	1.0
295.20447	1.1
335.23535	2.2
362.25934	1.3
379.29999	1.2
387.30487	2.9
405.31500	35.6
406.31729	1.0
407.33109	1.0
423.32571	40.9
441.33734	1.0
513.33453	1.2
671.38721	4.7
687.32666	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	671.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95067	2.2
53.03947	11.3
55.01867	2.7
55.05517	14.3
57.03426	7.1
57.07074	4.0
61.02924	3.0
65.03929	2.8
67.05518	11.8
69.03436	56.2
69.07068	12.5
71.04999	13.5
71.05315	2.4
71.60363	3.9
74.79555	2.6
77.01450	2.2
79.05485	13.7
81.02976	3.7
81.03425	53.2
81.06647	2.6
81.07072	23.4
83.08613	8.7
83.38961	2.3
85.02907	46.8
87.00845	21.3
91.05486	14.0
93.07044	24.2
95.08619	33.6
96.08841	2.4
96.18517	2.2
96.60900	2.2
97.02903	17.9
97.06515	2.5
97.10181	3.0
99.04469	21.2
105.01881	12.3
105.07037	24.5
107.08604	40.3
109.02214	4.4
109.02893	48.5
109.06540	4.2
109.10159	32.9
111.08073	3.0
111.11705	2.8
117.07002	5.8
119.08599	40.7
121.06527	4.3
121.10142	33.9
123.08100	3.4
123.11731	12.5
127.03928	100.0
128.06247	2.7
129.06993	5.5
131.08571	20.2
133.10136	37.8
135.04439	3.9
135.08057	13.1
135.11719	18.6
137.09560	4.9
137.13252	5.1
141.07021	3.4
142.07866	2.7
143.08553	15.9
145.04953	6.2
145.10136	35.8
147.08073	14.1
147.11725	17.8
149.09602	4.2
149.13252	10.7
151.11290	2.5
155.08563	10.2
156.09317	3.1
157.10121	20.9
159.02873	4.3
159.06853	2.7
159.08054	14.6
159.11711	23.9
161.09642	17.1
161.13280	10.0
163.03893	10.5
163.11116	2.9
163.14807	9.8
165.12746	2.6
168.09331	3.6
169.10156	13.2
170.10918	4.0
171.08113	4.1
171.11713	15.0
173.09723	11.7
173.13211	15.5
175.11205	9.1
175.14816	10.7
177.16426	9.4
179.14311	3.1
181.10048	3.7
182.10799	3.9
183.11685	15.1
185.09613	7.5
185.13278	12.5
187.06030	12.4
187.11226	7.3
187.14851	22.5
189.12718	7.5
189.16357	15.6
195.11690	3.2
197.13266	15.1
199.11128	4.4
199.14784	8.8
201.12779	9.4
201.16440	14.7
203.14333	61.3
203.17952	4.1
205.15860	12.2
209.13289	4.4
211.14865	5.3
213.03999	11.9
213.12813	6.3
213.16376	7.8
215.14342	8.7
215.17926	13.1
217.15900	40.1
217.19402	3.2
221.13263	2.9
223.14835	6.8
225.12737	2.5
225.16391	9.2
227.14243	8.2
227.17995	7.7
229.15871	9.5
229.19537	2.7
231.04996	46.1
231.17485	6.5
233.19072	6.8
235.14967	2.5
237.16406	6.4
239.14363	5.9
239.17993	5.7
241.15747	3.9
241.19579	5.0
243.17493	9.7
251.17969	6.1
253.15913	4.6
253.19490	13.1
255.17314	4.5
255.21204	4.4
257.18961	3.9
265.19293	3.4
267.17365	3.0
267.20963	5.8
269.18942	2.7
277.19415	3.4
283.20496	2.6
293.22559	3.1
295.20755	3.0
309.22076	3.6
311.23694	4.2
335.23721	4.1
353.24725	3.1
365.28479	3.6
387.30594	11.7
405.31546	49.6
423.32614	61.1
424.31638	2.4
441.33542	3.0
612.96802	2.6
635.36237	3.1
653.36682	10.5
656.29584	2.5
671.38171	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	671.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27309	1.2
59.06111	1.7
67.05495	1.5
81.07059	1.5
84.87735	1.1
93.79767	1.2
95.08617	1.2
101.07140	2.3
101.46883	1.3
104.52289	1.4
115.32767	1.2
128.10999	1.1
270.57669	1.3
374.85367	1.2
398.15292	2.3
399.16180	1.5
411.15894	1.7
413.17511	2.9
427.19119	4.1
434.13358	1.7
435.13873	1.7
441.16669	1.9
447.13751	2.1
448.14703	2.8
449.15054	2.0
455.18655	2.2
463.17603	2.9
469.20544	1.7
478.15497	5.0
479.16208	2.8
491.16241	3.7
492.16882	2.6
497.19876	1.7
505.18201	2.8
506.19653	1.5
507.15793	4.4
519.15680	3.9
520.16693	3.9
533.17358	4.4
547.15088	1.7
550.17987	1.5
551.17896	1.4
557.22009	2.1
561.16998	2.4
565.20129	5.9
577.19464	1.6
586.21417	1.6
593.19562	55.4
594.19678	2.0
621.19037	14.2
653.21667	100.0
654.22040	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	671.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.2
52.47536	1.0
55.01875	0.8
63.02396	0.8
63.24721	0.8
67.05507	3.8
69.03439	1.7
70.06598	1.8
71.60163	1.1
72.88496	0.8
77.03934	1.2
78.04720	1.0
79.05508	4.2
79.79350	0.8
81.03419	3.2
81.07060	1.6
84.77490	0.8
85.02910	1.2
87.39581	0.7
89.03926	11.6
91.05481	3.1
93.07037	2.2
95.04979	3.7
95.08617	2.0
97.02866	1.4
101.92416	0.7
103.05486	2.4
105.03401	2.2
105.07019	1.5
107.04967	4.1
107.08553	1.6
109.02872	0.9
109.10181	1.3
111.04436	1.3
115.05470	3.5
117.03381	12.4
119.04937	2.1
119.08587	1.2
120.08076	0.8
121.02847	0.9
121.10133	1.4
123.04442	81.6
127.03835	1.0
131.04926	4.0
133.02847	2.5
133.06540	1.1
134.03639	3.7
135.04430	41.5
136.07603	1.3
137.02359	14.8
137.03378	1.9
137.05986	1.0
139.03969	1.2
141.06973	1.0
145.02859	10.8
145.10143	1.3
147.04411	13.6
147.08081	1.0
147.11681	1.2
148.04832	1.1
152.07220	1.2
153.07048	1.5
157.02858	1.9
159.04456	3.5
160.05196	5.3
161.06004	3.5
163.03925	92.0
164.04274	1.2
165.06987	7.1
165.09145	0.8
167.07074	1.0
167.08560	1.1
169.06563	1.4
173.02364	3.6
174.03232	0.9
175.03922	10.4
176.04759	0.9
176.06206	1.0
177.05513	0.9
177.07010	2.3
178.07899	1.0
181.05022	1.3
181.06537	3.1
187.03944	2.5
189.07031	1.5
191.03433	2.0
193.06445	5.6
194.07343	1.5
195.08138	1.2
197.06004	2.6
199.07521	0.8
202.02550	1.1
203.03378	3.0
205.04880	1.5
205.06543	8.8
206.93687	0.8
209.06067	2.0
210.06728	1.3
211.07626	3.0
212.09058	1.3
213.05508	1.1
215.07124	0.9
221.04034	1.2
221.06023	16.9
222.06667	2.3
222.37839	0.8
223.07533	7.8
225.05469	1.4
226.06227	1.1
231.06516	1.0
233.05923	2.7
234.06802	2.2
235.07384	1.1
237.05466	10.3
238.06213	3.0
239.07021	9.4
240.07869	1.1
241.05194	1.1
243.06520	1.1
249.05586	15.1
250.06219	5.8
251.07062	9.8
252.07790	2.4
255.06479	8.3
265.04980	16.0
266.05753	2.8
267.06546	17.3
268.07312	18.8
269.08035	6.9
271.06122	2.1
277.04996	3.8
278.05865	1.7
279.06558	7.2
283.05914	4.1
284.06769	1.5
285.07486	1.5
293.04529	7.0
294.05270	1.6
295.06012	26.2
296.06805	1.9
297.07547	5.1
307.05988	1.6
311.05533	8.6
313.07108	12.3
314.07748	1.9
319.06055	1.6
323.05560	2.4
324.06290	2.7
325.07004	1.0
331.32059	0.9
339.04773	1.1
341.06635	2.4
353.07901	1.3
363.11975	0.8
369.06070	51.6
370.06665	0.9
381.07538	1.1
381.13501	1.2
394.13556	1.1
399.08145	1.1
408.90869	0.9
427.08115	2.8
429.09821	2.0
445.09155	3.8
451.08362	1.6
453.09344	4.2
473.08698	2.7
479.07343	2.2
491.09778	100.0
492.09964	3.2
497.08942	2.6
499.09885	1.9
509.32544	1.1
515.10388	2.3
543.09406	1.3
561.11664	6.1
563.13434	2.1
579.12305	1.0
589.11078	2.5
607.12415	7.0
625.13373	1.5
653.13092	4.2
671.13025	1.2
671.27576	1.4
671.37665	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	671.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	1.6
67.05507	6.1
69.03440	1.6
69.07063	2.9
69.25423	3.8
69.25826	15.0
70.06576	3.4
79.05485	4.3
81.03397	5.5
81.07047	5.5
83.08630	2.1
85.02911	3.1
86.09636	2.1
87.00796	1.9
89.03913	12.3
91.05480	6.2
93.07037	3.9
95.04988	4.2
95.08610	3.4
97.02923	2.9
98.21517	3.1
103.05482	3.7
105.03418	2.2
105.07053	3.1
107.04957	3.7
107.08619	3.3
109.02885	3.4
109.10144	4.4
111.04425	3.9
115.05433	4.8
117.03387	10.3
117.07056	2.0
119.04949	3.6
119.08620	4.0
120.08142	2.6
121.10184	2.3
123.03555	2.8
123.04435	38.7
123.11744	1.9
127.03912	4.6
130.06564	3.6
131.04932	7.1
133.02879	4.8
133.06552	1.7
133.10216	1.6
134.03673	1.9
135.04436	29.1
137.02345	16.8
137.03319	2.5
137.05925	2.3
139.03906	3.2
141.06956	2.5
143.08539	2.0
145.02872	16.1
145.10100	3.6
147.04419	24.3
149.02374	2.4
151.03871	3.6
152.06339	1.8
153.06978	2.0
159.04401	2.8
159.08022	2.7
160.05266	7.8
161.06001	5.2
163.03917	100.0
164.04263	3.3
164.29738	1.7
165.05685	1.7
165.06902	7.5
165.09155	2.8
169.06468	3.7
173.02505	2.0
175.03928	9.0
176.06197	2.8
177.05495	4.8
177.07016	4.0
181.04906	3.1
181.06430	4.2
187.03940	4.5
191.03391	2.1
193.06499	6.8
195.08211	3.4
197.05981	5.7
202.11380	1.6
203.03421	4.4
204.04092	1.9
205.06522	15.4
209.06001	1.7
211.07538	5.1
212.16502	4.8
220.05243	1.7
221.05994	30.9
221.08167	2.0
222.06850	3.5
223.07570	21.8
225.05556	2.3
233.05975	8.1
237.05441	15.4
238.06323	2.0
239.06956	13.8
243.06424	3.2
249.05504	31.2
250.06271	8.9
251.07048	25.4
253.05104	3.9
254.17538	16.7
255.06564	9.8
255.17883	3.9
261.05499	2.1
263.06885	2.1
265.04977	20.2
266.05621	3.6
267.06552	24.0
268.07306	22.5
269.08167	15.4
271.06030	6.8
277.05002	8.9
278.05753	3.7
279.06512	14.8
283.06036	5.2
285.07559	7.3
293.04434	13.8
295.06033	46.2
296.06766	3.2
297.07471	2.3
311.05670	11.6
313.07101	32.1
314.07855	6.7
323.05566	2.9
341.06766	4.2
355.09167	1.9
369.06094	12.9
427.08347	2.3
441.09445	2.1
445.09274	4.2
453.09610	4.4
473.08591	2.0
491.09790	32.0
497.09171	2.4
507.26208	2.0
515.09808	3.3
533.11981	2.5
543.09186	2.5
561.11621	8.7
589.11072	3.1
607.12231	8.7
609.13940	2.0
625.13159	5.6
653.11908	3.8
670.34937	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	671.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19304	1.6
53.03955	1.6
55.01873	3.0
67.05511	3.1
71.59795	1.9
79.05528	3.0
81.03397	4.2
85.02913	1.9
89.03935	13.1
89.38950	1.6
91.05495	2.7
93.03394	1.7
95.04993	2.8
105.03436	2.8
107.04964	4.3
109.02877	5.1
111.04413	2.2
115.05452	6.2
117.03387	15.2
119.08618	1.7
121.02829	3.0
123.04446	68.2
129.15150	1.5
131.04980	9.6
134.03696	2.5
135.04430	35.0
137.01357	2.3
137.02376	33.0
137.03430	5.5
139.03882	2.4
143.04933	2.9
145.02867	18.2
147.04449	17.5
159.04431	7.3
159.86995	1.7
160.05190	6.7
161.05995	9.3
163.03932	100.0
165.07010	13.2
167.03470	2.0
167.08542	2.9
169.06474	2.8
175.03914	14.4
176.04733	2.4
176.06244	4.7
177.07007	6.5
178.07826	1.7
181.06490	8.6
183.08005	2.9
187.03835	3.2
191.03351	1.8
191.04956	2.6
191.06660	1.9
192.05760	2.3
193.06499	11.2
194.07251	4.1
195.08052	7.1
197.06003	7.5
203.03384	5.8
204.04158	2.0
204.05855	3.3
205.05009	2.6
205.06541	29.6
209.05956	7.6
210.06870	1.9
211.07584	8.6
219.04463	4.4
221.06003	70.0
222.06647	8.1
223.07573	31.4
225.05472	3.9
226.06287	1.9
231.02734	3.1
231.06491	2.7
233.06013	17.9
234.06755	5.1
235.07620	2.3
236.75090	1.7
237.05481	28.8
238.06102	3.4
239.07045	25.8
240.07956	2.3
242.05792	2.5
243.06580	6.1
247.04001	3.1
248.04811	2.2
249.03078	3.4
249.05531	69.5
250.06259	17.4
251.07057	42.1
252.07707	3.7
253.05019	10.8
254.05820	2.3
254.17554	2.8
255.06514	20.5
261.05539	3.0
263.06989	3.1
265.05002	53.2
266.05649	6.7
267.06564	57.5
268.07312	53.0
269.08081	31.6
271.05695	2.8
277.04990	12.9
278.05695	6.9
279.06516	27.1
283.06094	16.3
283.73856	2.1
284.06671	3.3
285.07617	7.6
293.04495	36.5
294.05020	2.9
295.06030	62.3
296.06714	7.3
297.07541	8.9
311.05499	27.8
313.07086	59.8
314.07831	17.4
315.08508	2.4
321.09018	2.3
323.05939	2.6
339.04858	5.5
341.06631	7.0
353.07959	4.1
369.06061	33.1
381.07333	2.3
387.08960	2.1
395.09256	2.0
399.08572	3.9
407.08716	3.2
425.10498	2.3
427.08051	6.2
430.22040	1.8
435.08652	2.1
439.08029	2.1
441.09680	3.1
445.09189	4.9
451.08310	4.2
453.09888	11.6
469.09305	3.9
470.25836	2.1
471.10794	3.0
473.08621	2.2
479.07693	5.9
487.10233	2.5
491.02701	3.7
491.09772	64.5
492.09750	2.1
497.09512	8.4
499.10187	2.1
515.10162	8.7
533.12451	2.5
543.09155	2.6
561.11707	26.1
563.12878	4.1
579.12689	4.9
589.11169	9.3
607.12408	20.4
625.13104	3.7
635.12067	3.1
653.12689	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	670.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08739	1.8
53.03950	1.7
55.05514	26.3
57.03437	8.7
57.07077	18.1
61.02931	25.0
67.05514	34.9
69.03429	2.0
69.06725	2.7
69.07074	39.8
71.04973	3.8
71.08639	9.7
73.02930	9.0
79.05496	16.5
81.03411	2.9
81.07065	48.9
83.08624	35.3
85.02422	2.4
85.02909	31.2
85.10173	3.4
86.09715	2.2
91.03478	2.6
91.03967	27.9
91.05476	2.9
93.07054	24.1
95.08618	41.1
97.02905	11.3
97.06518	11.3
97.10175	25.8
99.08102	3.2
105.07084	2.0
107.08599	21.1
109.10155	16.7
111.08064	9.0
111.11723	7.9
121.10153	44.3
123.11709	13.8
125.09647	4.5
127.03928	10.8
135.11707	35.1
137.13258	11.2
139.11186	3.5
140.96140	1.9
145.04956	12.6
149.13280	12.7
151.14999	1.9
153.12744	1.8
163.06029	21.8
163.14819	5.8
177.16431	2.8
219.21106	43.6
223.93718	2.2
237.22163	100.0
255.23218	26.0
311.25836	96.9
312.26163	2.3
326.27783	1.9
329.26889	66.0
473.31137	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	669.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.05516	18.0
55.51005	1.1
57.06814	2.2
57.07077	24.9
64.83343	1.1
71.04974	3.8
72.81345	1.2
83.04987	81.0
91.05495	5.8
95.04941	2.5
95.38419	1.4
98.98456	7.7
105.07024	3.2
106.44682	1.4
110.98392	1.4
113.00040	2.5
119.08588	3.4
128.06236	4.7
129.07016	11.1
133.10149	1.7
141.06979	1.7
147.08044	8.6
147.11687	18.8
151.01602	4.7
157.07637	1.5
175.01553	11.5
181.02618	100.0
187.01662	1.4
189.03137	39.6
199.03720	3.0
222.05304	1.8
227.04710	18.0
239.04736	3.1
241.06364	4.6
245.09366	6.6
257.05804	3.5
283.10880	7.0
313.11996	29.0
313.15414	2.2
327.13669	1.6
339.17154	2.5
355.80322	1.4
369.18271	42.2
557.20551	18.3
613.26929	78.4
614.27582	3.3
669.33167	91.6
670.33398	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	670.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42093	2.2
53.03910	2.1
55.05515	18.8
57.03437	5.7
57.07095	9.9
61.02930	22.1
65.03920	3.1
67.05505	30.9
69.03442	3.0
69.06718	2.8
69.07068	36.3
71.04993	2.7
71.08625	5.5
71.59131	2.1
72.08712	2.1
73.02914	8.5
73.34541	2.1
75.04449	2.0
79.05490	14.3
81.02546	2.1
81.07061	46.2
81.12996	1.9
81.43973	2.0
83.05022	2.3
83.08617	28.3
85.02902	30.2
85.06546	3.0
88.19920	1.9
91.03959	23.6
91.05470	3.5
93.07035	26.0
95.08604	33.5
97.02888	13.9
97.06532	9.1
97.10166	20.4
99.04443	2.8
107.08590	19.5
109.10152	15.3
111.08085	6.6
111.11713	7.1
119.08598	2.3
121.10142	37.9
122.77206	2.1
123.11732	13.3
125.09631	3.3
127.03938	11.3
127.11199	2.0
135.11694	29.8
137.13266	9.8
145.04955	10.7
149.13289	15.0
153.12741	3.5
163.06032	22.8
163.14795	4.1
177.16373	2.6
219.21089	44.5
237.22130	100.0
237.24521	4.9
238.17790	2.1
255.23224	26.1
311.22141	3.1
311.25781	76.2
329.26855	79.0
474.66870	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	668.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05511	5.8
57.03444	2.5
57.07074	1.9
61.02925	2.6
67.05506	8.0
69.03420	2.8
69.07075	11.0
69.55561	1.5
70.80981	4.0
71.04989	2.0
74.09701	1.5
74.49084	1.4
75.88258	1.3
78.16623	1.3
79.05492	5.9
81.03425	4.7
81.07072	13.4
83.04993	2.5
83.08630	6.4
85.02913	13.8
85.06551	2.3
91.03946	1.6
91.05474	12.4
93.07056	21.7
95.04945	2.8
95.08607	26.1
97.02916	6.2
97.10172	1.7
99.04500	1.7
99.08106	5.0
105.07037	26.1
107.08605	34.4
107.17728	1.4
109.02923	3.6
109.10171	14.5
115.83584	1.4
117.07056	4.1
119.04940	6.1
119.08586	46.2
121.10146	26.8
123.08059	2.1
123.11710	6.1
127.03922	4.8
131.08580	24.4
133.10132	33.8
135.08072	2.5
135.11702	21.5
137.09618	3.3
143.08560	3.3
144.09355	1.9
145.04970	3.1
145.10127	27.8
147.04414	21.7
147.11690	55.3
149.13254	8.9
157.10164	7.0
158.10840	2.0
159.11720	24.7
161.13258	11.4
163.03923	5.0
163.11188	11.2
163.14818	9.8
165.12666	2.0
169.10147	2.9
171.11664	4.6
173.13316	16.5
175.11208	2.9
175.14832	14.8
177.05589	3.2
177.12817	3.1
177.16379	20.1
179.14349	1.7
180.08739	5.0
183.11665	2.4
185.13283	5.2
187.14836	50.0
189.16396	26.4
191.14337	2.0
191.17937	5.8
199.14796	4.2
201.16396	100.0
203.14470	2.4
203.17964	14.0
205.15894	85.8
207.17476	14.4
213.16425	10.7
215.17961	3.3
217.15994	2.2
217.19475	2.2
219.17451	14.9
223.16960	13.3
227.17938	6.2
231.17473	2.8
245.19002	2.8
247.16945	4.5
265.17920	1.9
353.28513	4.2
389.31970	7.2
407.33121	54.3
409.34839	3.7
425.34164	46.1
435.32800	7.9
443.35242	5.4
453.33707	41.9
471.34586	13.6
481.09839	4.3
489.35648	2.9
562.36865	1.8
636.21069	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	668.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.05524	10.2
57.03452	2.1
61.02917	4.2
64.10567	2.1
65.03912	2.8
67.05502	9.4
68.59545	1.9
69.03429	7.4
69.07075	9.8
69.26166	20.5
70.06607	2.5
71.04998	2.3
79.05491	9.7
81.03413	6.9
81.07065	18.2
83.04968	2.2
83.08633	5.8
85.02908	16.3
86.09721	1.9
89.03954	2.4
91.05479	27.2
91.95937	2.1
93.07050	26.1
95.04992	2.9
95.08614	32.0
97.02876	6.0
98.20727	5.2
99.04417	3.1
99.08085	7.1
105.07030	31.5
106.07372	2.2
107.08600	42.7
108.08118	2.1
108.34000	2.2
109.02912	5.6
109.10149	16.5
117.03383	3.5
117.07034	3.5
119.04994	10.8
119.08583	53.6
121.10150	33.6
121.39894	2.1
123.04442	3.1
123.11719	6.9
125.09650	2.5
127.03922	8.4
129.06992	2.5
131.04893	3.2
131.08575	31.0
133.10123	38.1
135.04391	4.9
135.08060	3.5
135.11720	25.2
137.13257	3.4
143.08549	3.3
145.02875	11.0
145.04959	4.7
145.06415	2.5
145.10136	39.0
147.04410	53.4
147.11696	59.9
149.13242	9.5
151.11110	2.1
157.10112	5.6
158.11000	2.4
159.11737	31.6
161.13242	14.9
163.03938	14.5
163.11203	14.5
163.14857	11.2
164.07033	2.0
171.11754	5.6
172.12483	3.0
173.13326	15.3
175.14848	25.5
177.05484	16.0
177.12793	3.9
177.16397	24.3
180.08691	7.2
185.13309	5.9
187.14844	58.2
189.16399	37.0
191.17952	3.8
195.13800	3.2
197.13214	3.0
199.14882	3.8
201.16394	100.0
203.17975	19.3
204.06523	3.8
205.15895	99.0
207.17479	16.7
213.16411	13.8
215.14223	2.4
215.17989	7.4
217.19624	2.7
219.17485	17.1
221.15517	3.1
223.16937	13.7
227.17957	4.6
231.17574	3.1
245.19090	3.9
247.16962	7.6
295.23898	2.1
312.12274	2.4
353.28503	2.7
389.32016	9.0
395.09341	2.1
407.33139	50.2
409.34579	5.0
425.34192	50.5
426.34796	2.6
435.32547	9.4
443.34799	8.4
453.33673	41.2
471.34589	13.0
481.09671	16.5
489.35751	2.3
592.22266	3.6
636.21051	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	668.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
54.25892	0.9
55.05507	3.5
57.03430	0.8
57.07066	0.9
61.02921	0.8
67.05506	6.1
69.03420	2.5
69.07044	2.8
69.55453	6.0
71.99382	0.7
77.78377	0.9
79.05479	3.7
81.03406	1.1
81.07064	7.5
83.08615	2.5
84.88466	0.8
85.02911	5.5
85.06549	1.1
85.07104	0.7
91.05473	5.5
93.07042	8.0
95.04962	1.4
95.08613	26.5
96.75699	0.8
97.02889	2.8
97.06512	2.1
97.10173	0.9
98.04371	0.7
98.20628	0.8
99.08088	2.0
99.82227	0.7
105.07037	12.6
107.04960	1.2
107.08596	14.0
109.06523	1.7
109.10159	11.6
111.08085	4.4
117.07003	2.6
119.07788	1.2
119.08576	16.1
121.06514	5.2
121.10141	9.9
123.08057	2.2
123.11703	2.1
127.03867	1.3
127.40617	0.8
129.06978	1.5
131.08569	7.7
133.06459	1.6
133.10133	12.1
135.08058	70.1
135.11633	4.1
137.05917	0.9
137.09612	3.0
137.92139	0.8
142.07776	1.2
143.08569	4.5
145.05014	0.8
145.10129	18.8
146.07242	0.9
147.08061	7.6
147.11679	7.1
149.05998	1.4
149.09647	5.1
149.13190	2.0
151.11130	1.1
155.08389	1.1
156.09383	1.2
157.10136	6.3
158.10895	1.2
159.08035	4.6
159.11685	9.8
161.09631	23.6
161.13235	8.3
163.11169	2.8
163.14816	1.8
169.10089	2.1
170.10933	1.3
171.11710	6.7
173.09613	4.1
173.13249	10.8
175.11197	5.0
175.14836	5.7
177.12704	2.2
177.16409	1.5
180.08606	1.4
183.11662	3.4
185.09610	3.0
185.13211	6.0
187.11218	3.2
187.14813	8.7
188.12042	1.3
189.12807	4.4
189.16350	3.5
191.14317	5.0
193.12267	1.4
197.13237	1.9
199.11194	3.8
199.14871	7.3
201.12738	9.5
201.16451	4.9
203.14325	100.0
204.14674	1.3
205.15826	3.7
207.11826	0.8
207.13844	0.9
209.13200	1.0
211.14833	1.3
213.12766	1.8
213.16350	1.3
215.14297	4.9
217.15884	14.4
219.13809	24.1
219.17204	1.4
223.14912	1.1
225.16319	1.4
227.14221	2.7
227.17941	1.5
229.15865	3.5
233.15298	2.2
235.16965	2.0
241.15852	1.5
243.17419	5.7
245.15408	3.9
251.18021	1.5
253.19554	0.8
255.17340	2.2
263.16388	3.3
267.17435	1.2
269.18896	3.1
271.20615	1.1
295.20370	1.1
313.21436	1.2
319.20578	2.0
331.22525	1.7
337.21729	2.2
355.22568	0.8
371.26822	1.0
383.22110	2.6
389.28400	8.3
391.29916	0.9
397.30896	1.2
407.29465	26.8
408.29642	1.4
409.31201	1.2
425.30548	49.6
426.31039	1.7
435.28998	8.0
443.31589	73.8
444.31870	2.1
453.30029	16.2
471.31064	42.1
472.31378	2.0
489.32159	1.3
587.34509	0.8
633.36359	31.5
634.36926	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	668.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.0
57.03426	5.8
57.07069	8.6
59.17241	2.4
61.02942	16.0
65.93698	2.2
67.05172	4.3
67.05509	50.8
69.03436	2.8
69.07061	12.8
69.94749	13.2
71.08629	4.4
73.02907	7.7
79.05518	13.3
80.05816	2.5
81.07064	54.7
83.08612	10.2
85.02916	26.3
85.06525	4.6
85.10197	3.7
88.76410	2.9
91.03951	20.8
91.05479	19.7
92.99717	2.5
93.07053	17.4
95.04937	2.6
95.08055	3.3
95.08616	57.1
97.02890	15.7
97.06519	9.1
97.10173	5.8
99.04450	2.9
99.08077	7.8
105.07029	9.5
107.08591	10.5
109.10164	22.1
111.08099	3.2
113.09624	6.7
119.08591	13.1
121.10162	15.1
123.11711	10.9
127.03901	10.7
127.11175	4.4
133.10153	18.2
135.10728	2.9
135.11694	17.4
137.13261	15.3
142.42744	2.7
145.04913	12.3
145.29103	3.0
147.11693	14.2
149.13283	4.6
151.14847	13.1
161.13252	10.6
163.03941	3.6
163.06087	16.3
175.14728	4.4
187.38138	2.6
217.17432	5.5
217.19525	77.0
235.20584	100.0
268.41220	2.4
290.46329	2.5
309.24268	25.2
313.06555	2.6
327.25204	3.6
501.11005	3.3
533.38971	2.6
670.85345	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	668.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.3
55.05733	2.2
57.03433	5.1
57.07084	12.4
61.02935	22.7
67.05509	47.9
69.03403	3.0
69.07073	16.1
69.93950	3.4
69.94356	4.9
71.04984	2.3
71.08628	2.9
71.52155	1.5
73.02919	9.2
79.05498	16.1
81.03413	2.6
81.07063	67.4
83.04932	2.0
83.08625	9.8
85.02912	24.2
85.06551	4.0
91.03959	18.4
91.05476	14.9
93.07040	17.6
95.08612	50.7
97.02882	10.8
97.06550	7.0
97.10158	5.8
99.04448	1.7
99.08089	5.4
105.07042	10.3
107.08595	11.4
109.09535	2.0
109.10169	18.1
111.08068	3.3
111.11735	1.9
113.09634	5.4
119.08582	14.5
121.10148	14.9
123.08042	2.7
123.11694	10.1
127.03899	8.1
127.11204	5.9
129.57312	1.4
133.10150	17.5
135.11682	15.5
137.09541	1.5
137.13269	15.0
145.04979	8.5
147.11688	11.7
149.13208	3.4
151.11118	1.8
151.14821	10.1
161.13292	13.0
163.03905	2.5
163.06041	14.8
169.54857	1.3
175.14838	6.0
189.16396	5.2
217.19537	73.8
235.20587	100.0
253.21661	2.0
260.46277	1.5
309.24258	45.7
327.25397	9.3
338.20010	1.5
381.37842	1.9
471.29352	4.7
536.48682	1.5
591.17743	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	668.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73724	2.2
54.91269	2.1
61.50343	2.2
65.03954	2.6
67.05494	2.9
71.10496	2.8
71.10820	3.8
79.04366	2.1
79.05515	3.7
80.05029	2.0
81.03432	3.2
81.07057	4.1
88.97794	2.2
91.05478	3.8
93.07037	3.7
95.08614	3.4
105.07074	3.1
108.08125	6.6
118.06554	3.2
120.04478	3.6
120.08109	10.3
122.06029	6.5
134.09668	6.9
135.04556	2.5
135.06824	3.4
136.07585	12.4
138.09143	4.5
146.06015	4.6
147.06908	2.3
148.07568	18.7
149.08395	6.7
150.09175	9.8
152.07123	2.7
160.04002	3.2
162.05544	4.6
162.09171	9.7
163.03912	4.8
164.07088	9.8
164.10727	15.8
166.08652	5.8
172.03951	17.0
172.35275	2.1
178.08652	3.3
180.10211	25.6
182.11833	2.5
190.05008	4.1
197.10918	2.7
204.06572	22.5
208.09726	34.0
209.10666	2.4
211.08696	5.3
212.09447	3.4
222.07697	3.0
223.08688	2.7
223.12381	4.2
224.12798	5.3
225.10277	8.9
226.11140	2.6
227.11717	2.8
235.08694	8.1
236.09515	5.3
237.10381	9.5
239.08217	6.7
239.11914	5.5
248.09480	3.6
249.10297	11.8
250.10957	4.2
251.08221	5.1
251.11981	5.3
252.08977	3.8
253.09697	5.2
261.10391	4.1
263.08212	3.0
264.08972	5.7
265.09827	12.1
265.12930	2.5
266.10519	2.5
267.07755	4.6
268.11661	2.7
269.12912	10.7
277.09787	9.4
277.46326	2.4
278.07062	2.7
278.10559	3.9
279.07697	4.7
279.11487	6.4
280.12210	2.8
281.09250	6.3
281.12552	3.3
282.10013	2.9
287.14142	2.6
291.07648	8.1
293.09290	8.0
293.12823	3.5
294.10165	2.6
295.10867	10.1
297.12402	5.4
305.09134	3.2
307.10870	5.5
309.08789	19.3
309.12137	4.7
310.09583	4.8
310.13074	3.0
311.10425	5.9
321.12518	3.2
323.10297	26.2
324.11472	3.3
325.12015	6.5
326.12848	3.5
328.14545	3.7
329.15207	12.7
337.08267	4.0
337.11929	3.9
338.12747	5.2
339.13583	13.1
342.12549	5.1
351.09857	4.2
353.14960	20.5
354.16202	5.7
355.12912	9.5
355.16846	2.5
358.15573	2.9
367.13022	5.3
368.13983	3.6
369.10785	10.4
370.15536	4.7
371.16058	5.5
373.13998	8.0
382.15631	10.8
383.12140	5.8
384.13504	2.7
385.14331	2.9
398.14966	3.6
412.16815	3.0
413.17258	31.2
414.13962	2.8
426.14395	4.7
428.16309	3.9
430.17972	2.6
440.16260	3.5
442.17645	6.7
444.15552	5.4
457.16028	43.1
458.17453	5.4
468.15445	3.8
470.12299	2.5
472.18738	4.1
474.20798	2.4
486.16516	3.7
490.19775	2.9
500.18384	6.2
504.17984	6.9
516.21118	2.7
518.19312	6.7
532.20673	6.2
550.21948	4.3
550.95862	2.6
560.20227	19.5
564.23163	2.6
582.24341	6.1
592.22986	41.5
593.22736	3.8
604.19415	16.4
610.23914	7.2
618.22626	2.4
624.25726	22.7
636.21893	100.0
637.21680	4.1
668.24469	98.6
668.33008	3.8
669.24915	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	668.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16461	0.4
60.00812	0.4
67.05587	0.5
69.03512	0.6
70.06685	0.7
79.05589	1.1
80.05093	0.8
81.07159	1.1
86.09799	1.1
91.05598	0.9
93.05922	0.6
93.07188	1.4
94.06689	1.2
94.50874	0.5
95.08710	1.0
105.06523	0.6
105.07195	1.7
106.06657	1.1
107.07425	0.7
107.08710	0.8
108.08286	2.6
109.10320	0.5
115.08811	0.6
118.06709	1.5
119.07427	0.9
119.08659	0.7
120.04642	1.8
120.08282	4.3
121.08989	0.5
121.10284	1.0
122.06210	2.0
122.09837	1.3
131.07512	0.7
131.08760	0.8
132.04608	0.8
132.08253	2.2
133.09058	0.9
133.10248	0.9
134.06158	0.9
134.09842	2.2
135.06979	1.7
135.08107	0.5
136.07779	6.3
138.05621	0.6
138.09308	1.0
144.04614	1.3
145.10294	1.3
146.06218	1.9
147.06908	1.1
147.11925	0.5
148.07581	9.5
149.08376	3.4
150.09352	4.5
152.07162	0.9
152.10893	1.2
152.38301	0.5
156.08264	0.5
159.11774	0.6
160.04193	1.3
160.07751	0.6
161.13486	0.7
162.05707	0.8
162.09138	5.2
163.10042	0.8
163.15042	0.7
164.07082	4.4
164.10730	10.4
165.07986	0.6
166.05156	0.6
166.08878	2.2
172.03931	4.0
176.07280	0.7
177.16670	0.5
178.08879	1.6
180.06772	1.0
180.10222	12.3
182.04671	0.6
182.09859	0.5
182.11969	0.9
183.09341	1.1
184.10251	0.6
186.09309	0.6
187.15076	1.5
188.07220	0.6
189.16525	1.0
190.05048	2.9
190.08736	0.6
193.07632	0.6
194.08307	0.9
195.93297	0.5
196.06294	1.4
196.10088	0.6
197.11044	2.0
198.08038	0.8
199.12550	0.6
201.16565	0.7
204.06554	4.7
205.16141	1.9
207.09399	1.2
208.09695	13.7
209.11037	1.7
210.07840	0.6
210.11533	1.3
211.08655	3.0
211.12477	0.9
212.09607	0.7
213.10452	1.0
219.17661	0.9
221.11017	1.3
222.07950	0.9
222.11546	0.8
223.08894	1.5
223.12511	1.3
224.09557	1.1
224.12846	5.8
225.10297	3.0
226.11241	1.7
227.12135	1.6
234.07913	0.6
235.08626	3.7
236.09717	1.8
237.10214	5.3
238.11282	1.1
239.08438	1.4
239.12024	1.3
241.09843	1.1
241.13651	0.6
248.09700	1.0
249.06606	0.7
249.07759	0.7
249.10228	6.2
250.07724	1.5
250.11223	1.8
251.08191	2.6
251.11754	2.8
252.09224	0.9
252.12892	0.7
253.09949	1.3
254.10899	0.9
255.11430	0.9
262.11331	0.6
263.08258	3.1
263.12048	1.6
264.08954	3.1
265.09747	7.1
265.13562	0.8
266.10339	3.5
267.07971	5.2
267.11484	1.8
268.12009	1.3
269.12900	4.2
271.11050	0.6
277.06918	0.9
277.09744	4.8
278.07590	0.8
278.10867	1.9
279.07938	2.0
279.11536	4.4
280.12302	0.6
281.09464	1.7
281.13159	1.4
282.10150	1.0
283.11111	1.4
285.12689	0.8
287.14319	1.5
289.09891	0.8
291.07755	4.0
291.10965	0.6
293.09537	5.4
293.12820	1.3
294.10184	1.0
295.10767	3.9
297.09280	0.9
297.12686	1.5
299.10870	0.6
299.14456	0.6
301.15640	0.5
305.09421	1.6
306.10260	1.2
307.11133	1.8
308.08090	0.9
308.11700	0.8
309.08762	12.0
309.12460	1.5
310.09769	1.0
310.13306	0.6
311.10599	1.8
311.44281	0.5
312.15344	0.6
313.08844	0.7
313.12250	0.8
314.12946	0.7
319.07318	0.7
321.12250	2.7
323.10294	14.1
324.11441	1.1
325.12100	2.1
325.15588	0.7
326.13113	1.2
327.13867	1.4
328.14645	1.6
329.15070	5.8
330.16025	0.6
333.09180	0.6
337.08453	1.7
337.12155	1.8
338.09525	0.6
338.12799	2.5
339.09933	0.9
339.13934	5.0
340.14706	1.1
341.11642	1.2
341.15448	1.0
342.12595	1.0
342.16281	0.9
350.09055	0.6
351.10068	1.7
353.11377	0.8
353.15170	4.6
354.12469	2.1
354.16165	3.1
355.12918	2.3
356.13751	2.3
357.14981	0.6
367.13474	1.7
368.14282	1.4
369.10803	1.0
369.14899	1.3
370.15466	2.4
371.16360	1.2
372.17276	0.7
373.13925	2.6
374.15317	0.8
381.14679	3.3
382.15524	4.4
383.12650	2.1
384.13525	1.8
384.17798	0.7
385.14023	1.2
386.14996	0.9
388.17142	0.6
397.14252	0.6
398.15237	1.4
399.15720	0.7
400.16745	1.9
407.33209	1.4
412.16882	1.4
413.17285	6.0
414.18924	2.4
415.15326	1.9
416.16275	1.2
425.13406	4.0
425.34512	1.2
426.14328	2.6
428.16406	1.4
430.18051	1.4
432.19556	0.9
440.16467	1.7
441.17004	1.1
442.18088	4.0
443.14975	1.1
444.15430	1.5
453.34024	2.0
454.18658	0.6
456.19449	1.8
457.15973	7.8
458.17319	3.1
459.17889	0.7
470.13947	0.7
471.34949	0.8
472.19418	2.6
474.20670	1.2
476.18207	1.0
485.15796	0.7
486.16840	1.9
490.20001	1.7
492.21814	0.7
500.18423	4.4
501.19339	0.9
504.17133	2.4
514.19330	0.7
516.21344	1.9
518.19403	3.5
528.17999	0.7
532.20740	4.4
542.19470	0.7
550.21906	3.1
560.20367	13.7
561.20184	0.6
576.19910	1.4
578.21631	0.8
586.18280	1.0
592.22919	25.0
593.23309	1.4
604.19250	21.8
605.19714	1.5
618.20807	1.5
624.25519	2.6
636.21918	100.0
637.22260	5.3
668.24432	16.2
669.25018	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	668.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
56.40477	0.2
56.77001	0.3
63.02385	0.3
67.18987	0.2
68.20335	0.2
69.03420	0.6
79.05502	0.4
81.03415	1.2
81.07055	0.3
85.02920	0.6
89.03920	5.6
91.05487	0.8
98.20787	0.5
103.05489	0.3
106.04137	0.3
107.04999	0.4
109.02889	0.6
117.03387	17.8
117.07028	0.4
119.04961	0.4
121.02850	0.4
127.03956	0.3
134.03668	1.2
135.04428	0.9
136.07600	0.7
137.05978	0.4
145.02856	50.5
145.06514	2.4
146.03181	0.6
147.04417	0.3
149.05991	6.2
156.69627	0.2
158.06140	0.3
159.08311	0.2
162.05524	0.9
163.03874	0.7
175.07593	0.6
176.07072	0.3
177.05481	100.0
178.05807	1.5
186.05513	0.9
188.07008	1.2
195.06503	0.4
209.07117	0.2
227.03413	0.2
312.12329	18.8
313.12677	0.5
321.09741	3.2
339.10724	1.8
585.83942	0.2
631.39142	0.2
650.21680	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	667.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41733	0.6
55.05518	1.7
57.03434	1.1
64.02583	0.8
67.05511	3.6
69.07068	1.3
71.20672	0.7
71.21004	1.1
79.05507	2.5
81.07065	4.2
91.05500	1.0
93.07063	2.7
95.08629	2.9
105.07031	1.4
107.08593	1.0
109.10175	0.9
119.08619	1.3
121.10155	1.0
171.33128	0.7
250.92192	0.6
278.86227	0.6
303.15796	0.8
333.20383	10.9
347.92349	0.6
378.12857	0.7
389.23022	5.9
425.86166	0.6
484.77225	0.7
558.87164	0.7
581.38214	2.1
667.45490	100.0
668.45966	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	667.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59081	3.3
53.03947	6.9
55.05513	17.3
61.52760	2.7
65.03937	3.1
67.05513	15.7
69.03416	5.3
69.07070	11.8
69.44559	9.5
69.44993	15.2
70.06606	4.0
79.05488	13.9
81.03388	7.0
81.07064	43.1
83.04987	59.0
83.08632	10.4
85.02909	16.8
89.03927	8.8
91.05474	21.7
93.07048	44.9
94.40095	2.7
95.04973	11.1
95.08614	46.8
97.06568	5.8
97.10192	5.1
98.20766	7.3
105.07039	56.3
107.04996	3.4
107.08598	70.3
109.06528	3.9
109.10152	31.8
111.08083	5.4
113.09623	4.0
117.03392	10.8
117.07005	8.3
119.08585	68.4
121.10155	28.3
123.08095	5.3
123.11701	16.9
125.09633	33.0
127.03920	9.2
129.07066	5.8
131.08585	24.4
133.06580	3.2
133.10138	44.2
135.04413	20.6
135.08051	4.3
135.11688	14.8
141.07037	3.5
143.07620	2.9
143.08527	14.0
145.02829	15.9
145.10118	42.9
147.04462	8.8
147.08011	4.1
147.11697	32.4
149.09639	4.7
149.13278	20.4
151.07631	3.1
151.11201	6.1
153.09111	3.3
155.08571	3.3
157.10133	17.5
159.11693	32.2
161.09714	4.3
161.13249	35.3
163.03918	72.5
163.11169	5.5
163.14825	10.7
169.10106	5.2
171.11726	12.1
173.13289	32.7
175.14850	24.5
177.05496	5.7
177.09102	3.8
177.16423	11.9
183.11697	6.8
185.13268	36.8
187.14844	43.0
189.16386	12.9
191.14330	8.6
191.17984	6.6
195.11772	4.2
197.13281	6.8
199.14827	24.4
201.12744	3.3
201.16402	48.3
203.14346	20.7
203.18011	12.2
205.12294	3.0
205.15897	19.0
211.14812	10.2
213.16380	20.2
215.14429	5.0
215.18037	9.3
217.15947	11.3
219.17506	11.0
221.15425	5.3
225.16403	5.7
227.17952	7.7
229.15866	5.7
230.39107	3.6
231.17517	5.8
233.15546	3.3
239.17921	5.9
241.19684	3.6
245.15434	6.4
247.17003	10.9
249.14856	18.9
253.19557	3.4
257.19385	3.6
259.17004	6.1
263.16422	3.2
267.20947	4.0
273.18445	6.1
341.24850	3.2
355.26324	3.2
369.28177	5.2
387.30200	7.5
391.77170	2.8
393.27890	5.2
405.31497	31.0
407.33090	7.0
411.28992	5.2
413.75296	4.1
423.32611	18.9
433.30939	17.8
439.32056	9.3
451.32126	45.2
469.33151	100.0
487.34412	6.1
505.34045	4.7
671.74261	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	667.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24672	12.8
79.05496	1.2
98.21332	5.4
119.08597	1.3
167.03392	1.4
197.04405	1.9
207.58185	1.2
320.31818	1.3
362.15698	1.2
363.16049	2.1
376.16989	1.6
377.17529	6.2
378.18399	2.1
379.19031	1.2
381.11053	1.3
391.19275	11.8
392.20007	7.2
405.21118	6.6
406.21439	2.5
407.22363	11.3
417.21106	1.7
419.18365	5.9
420.19452	2.5
421.33865	1.2
431.18686	1.6
433.20322	4.9
434.20905	2.6
435.21707	9.7
436.18674	2.7
444.15921	1.5
445.20334	1.8
447.17459	2.0
447.22595	2.1
449.19861	2.2
450.21048	1.5
451.21494	9.7
459.18185	4.4
461.18863	1.8
461.23654	1.9
462.24490	1.5
463.25183	1.7
464.21844	1.6
465.22855	3.6
466.19894	2.0
473.19708	5.3
474.20392	4.4
477.18845	2.7
479.20786	31.9
480.21191	2.6
487.17880	1.3
488.21490	1.7
489.23615	6.4
493.22333	8.7
494.23096	2.6
501.19138	4.2
502.19983	2.6
505.18240	6.8
506.19760	2.5
515.20813	5.5
516.21667	3.5
517.22400	82.1
518.22571	3.6
521.25446	2.4
547.23322	2.5
549.25031	78.6
550.25067	4.0
565.24255	3.6
575.22791	9.1
579.26324	1.8
593.23981	17.5
607.25244	10.8
608.26257	17.4
635.25018	100.0
636.25378	4.6
667.27435	52.5
667.45154	2.2
668.27448	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	667.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.5
55.01863	4.6
55.05511	5.3
57.03423	3.6
60.51604	1.3
61.02919	5.4
61.76257	1.2
67.05500	8.3
68.99782	3.2
69.03435	26.0
69.07075	11.4
71.05009	8.5
72.08156	1.7
73.02937	6.3
79.05488	7.5
81.03426	19.7
81.07064	16.5
83.08617	4.0
85.02912	60.0
85.06549	100.0
87.00835	22.5
91.03960	2.0
91.05495	6.2
93.07059	14.6
95.04954	1.4
95.08614	25.2
97.02906	23.2
97.06518	3.7
99.04449	11.4
99.08078	1.6
105.01879	20.1
105.07031	16.8
107.08604	24.9
109.02895	24.5
109.10168	15.8
111.08062	1.9
113.58893	1.4
117.01868	3.4
117.06973	1.6
119.08593	23.5
121.06476	1.4
121.10152	21.8
123.08051	1.7
123.11728	8.2
127.03930	45.0
129.01834	3.6
129.06982	1.9
131.08571	5.4
133.10158	19.6
135.08018	1.5
135.11723	10.6
137.13268	2.5
140.88196	1.3
143.08572	1.8
145.04970	15.9
145.10141	9.4
147.11687	12.0
149.13258	9.6
157.10095	2.5
159.02921	11.2
159.11723	10.4
161.13264	9.0
163.03964	3.0
163.14835	5.7
171.11639	2.1
173.13271	5.8
175.14851	14.7
177.16405	3.4
179.14352	1.9
185.13257	2.7
187.14824	9.7
189.03937	1.8
189.16428	11.7
191.14330	2.6
191.17952	17.4
193.15889	31.3
193.23106	1.2
199.14847	3.1
201.16382	5.9
203.17963	7.2
207.17468	17.7
209.15352	3.5
213.03958	3.1
213.16545	2.6
215.17908	4.0
217.19450	3.5
221.19096	1.6
231.05037	8.1
241.19626	1.3
309.26083	1.6
313.25458	1.6
365.31873	2.3
383.33099	33.0
401.34204	19.6
423.20099	1.6
631.38135	3.1
632.36133	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	667.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89079	1.3
54.46544	1.2
61.42742	1.2
61.89968	1.5
69.93474	6.0
81.07036	1.3
113.66563	1.3
199.55016	1.4
221.10742	1.8
222.40138	1.5
222.83604	1.4
282.13739	1.7
341.15488	1.7
368.13971	1.9
375.16068	1.9
376.16956	2.6
377.17758	2.2
381.11075	2.3
386.15363	1.5
389.17993	2.4
390.18433	5.1
391.19049	8.8
398.15570	2.1
401.17767	3.7
403.19424	3.2
404.20123	3.6
405.20770	10.8
406.21414	2.9
417.21219	2.3
419.22571	6.6
420.23383	2.1
428.16107	3.7
431.18243	2.1
433.20367	4.9
435.18170	4.0
436.18985	2.1
441.17145	1.6
445.20389	3.2
447.21811	4.2
449.19763	8.0
450.20474	4.1
457.16144	1.9
458.16867	1.7
461.19708	5.5
461.24890	1.9
462.19818	2.1
463.21478	4.6
464.22134	2.9
465.22818	11.0
473.19531	3.3
477.23422	2.9
479.20889	4.9
487.21545	3.3
488.18347	2.5
489.19232	3.6
491.20831	1.6
493.22165	34.7
494.22565	2.0
501.19284	7.1
505.18549	3.1
515.21021	9.2
516.21710	3.8
519.24323	2.3
521.25604	11.8
533.21991	4.0
537.24908	3.2
545.18970	1.6
547.23468	6.6
548.24554	1.8
551.26941	12.5
552.27490	2.1
565.24542	29.3
575.22766	10.0
576.24298	1.7
579.26025	22.3
580.26788	100.0
581.27478	4.1
589.24402	3.4
592.22540	1.5
607.25513	59.3
608.26154	2.9
617.24567	2.2
635.24890	34.4
636.25146	2.0
639.27881	8.1
649.26465	14.4
667.27643	84.8
668.27551	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	667.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38929	0.3
69.32986	2.8
74.74396	0.3
79.53223	0.3
85.02904	0.5
91.05492	0.8
115.05463	0.9
117.05770	1.8
117.07036	1.3
118.06554	18.0
123.05545	0.4
130.06549	2.8
131.07332	1.8
132.08099	7.0
133.04988	0.4
136.06180	0.9
142.06558	2.1
143.07327	2.1
144.08098	11.7
144.09224	0.7
146.06015	58.3
147.06409	0.5
155.05942	0.4
159.09186	5.8
160.07599	0.6
170.06017	4.6
188.07076	100.0
189.07390	1.3
191.02596	0.3
205.09734	37.7
206.10124	0.4
218.70796	0.4
220.00424	0.6
231.02101	0.7
235.99994	0.4
277.02698	1.0
334.04669	0.3
356.11801	0.4
446.07736	0.8
459.98413	0.3
463.10837	3.4
646.24213	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	666.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.6
57.07077	4.7
67.05515	12.6
69.03432	6.1
69.07078	12.5
70.51460	5.3
70.61433	2.0
71.06908	2.1
73.02901	2.2
79.05491	11.4
81.03436	3.8
81.07069	21.8
83.05005	4.8
83.08627	10.8
85.02911	16.4
85.13359	2.0
91.05484	17.5
93.07046	29.5
94.67355	1.9
95.04968	4.7
95.08620	40.6
97.02903	3.5
97.06519	2.4
99.08091	2.7
103.05466	1.9
104.89526	2.0
105.07038	30.9
107.04986	2.2
107.08601	53.9
109.02888	5.4
109.06558	3.6
109.10166	27.8
110.65836	1.9
111.08104	4.6
117.03424	4.8
117.07034	5.8
119.08595	80.4
121.06503	1.8
121.10152	52.0
123.08102	4.2
123.11707	9.1
127.03915	3.8
128.06300	2.4
129.07024	3.3
130.07831	3.6
131.08583	22.9
133.10133	33.7
135.08098	4.9
135.11728	28.5
135.79842	2.2
137.09651	2.1
137.13234	2.3
142.07796	2.4
143.08568	12.5
144.09361	2.8
145.02831	17.3
145.10135	76.1
147.04498	3.6
147.11691	21.6
148.07564	2.2
149.09656	4.4
149.13280	20.6
151.07576	2.6
151.11142	4.5
151.14886	2.2
155.08607	2.2
156.09341	5.5
157.10149	34.3
158.10916	6.3
159.11710	51.8
161.13286	22.4
163.03937	15.1
163.07564	6.3
163.11209	19.3
163.14864	13.9
169.10101	3.7
170.10941	5.9
171.11670	16.0
173.13264	35.1
175.14835	29.8
177.05502	31.2
177.12793	5.4
177.16400	29.4
180.08731	4.0
183.11688	8.9
185.13277	21.6
187.14830	79.3
188.15204	3.0
189.16389	18.9
191.17950	6.3
197.13237	2.6
199.14854	66.6
201.16405	62.9
203.14395	2.5
203.17986	5.9
205.15897	86.0
206.16281	2.7
207.17470	4.8
209.13277	2.5
211.14792	2.3
213.16460	7.1
214.57933	2.2
215.14409	3.0
215.17989	6.8
219.13760	2.2
219.17409	10.8
223.14900	3.7
223.16928	28.1
225.02733	2.1
225.16220	3.0
227.18030	4.4
229.19661	4.2
233.15366	15.8
233.19077	6.4
237.18555	2.5
245.15437	12.1
253.19582	2.5
339.10904	2.4
341.11676	1.9
377.32214	3.8
387.30637	2.6
389.32031	2.4
405.31564	36.0
407.33102	19.2
423.32556	9.1
425.34128	9.2
433.31070	9.3
451.32129	100.0
452.32391	4.3
469.26578	3.2
469.33188	57.8
470.33432	2.7
487.30487	3.7
545.97906	1.9
558.43390	2.3
640.06750	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	666.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01871	2.0
55.05513	10.6
57.03427	4.0
57.07071	5.7
61.02641	2.2
61.02932	32.0
64.97335	1.6
65.03927	2.1
67.05173	3.4
67.05508	50.4
69.03409	5.5
69.07071	9.7
69.45198	13.9
71.04987	4.1
71.08631	2.1
73.02922	14.2
79.05502	50.4
81.03425	3.4
81.07066	54.7
83.04962	3.4
83.08605	6.8
85.02910	41.5
85.03430	2.6
85.06540	5.8
91.03968	29.4
91.05479	26.8
93.07053	59.9
93.07629	3.3
93.20707	1.7
95.04962	5.7
95.08618	36.7
97.02892	21.4
97.06544	15.6
99.08086	5.7
105.07037	18.6
107.08599	32.9
109.02840	1.7
109.06552	3.4
109.10176	21.5
111.08108	2.2
113.09617	4.5
115.04003	2.0
115.05473	2.0
117.07024	13.2
119.08575	17.0
121.10159	43.5
123.08096	3.1
123.11730	14.3
125.09621	2.2
127.03934	14.3
131.08586	25.9
133.10161	19.2
135.08025	2.1
135.10681	3.2
135.11707	56.3
137.09648	4.6
137.13254	4.7
139.11232	2.0
141.06967	3.4
145.04948	14.5
145.10120	23.3
147.11699	13.6
149.09598	3.1
149.13266	27.6
151.11180	4.0
154.13321	1.6
156.97353	1.7
159.11696	17.6
160.05238	2.4
161.05995	4.9
161.13252	4.0
163.03891	6.9
163.06026	23.3
163.11205	4.5
169.06468	3.1
173.13281	17.2
175.14873	3.6
177.12724	2.7
185.09579	2.3
187.07491	2.9
187.14845	5.8
189.09178	8.2
189.16362	2.5
195.08127	2.1
197.06039	2.5
200.04582	2.2
201.09148	2.6
205.19576	8.0
213.09084	2.6
215.07042	24.7
215.17972	79.0
217.19514	1.7
233.19016	100.0
234.19312	2.3
235.20503	2.2
241.08588	3.0
251.20059	2.7
253.68230	1.8
254.19540	1.8
259.09677	27.6
276.20566	1.8
307.22687	9.2
325.23755	35.5
343.49863	1.8
355.15192	2.5
406.15579	1.7
409.47635	1.9
559.11664	1.8
655.35938	2.2
666.35449	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	666.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01628	0.5
55.01876	7.0
56.05041	0.6
63.02389	0.7
69.43697	4.4
70.06564	1.1
73.39127	0.5
74.86761	0.6
76.03999	1.1
76.46070	0.5
79.05505	1.0
83.06114	3.2
84.04042	0.9
84.04510	10.7
86.09715	1.1
89.03922	7.4
91.05490	0.8
99.05603	0.7
107.04935	1.7
112.03954	6.8
117.03390	8.1
121.01103	1.2
123.70347	0.6
127.02160	1.1
129.06612	8.0
130.05009	28.0
135.02730	1.3
135.04422	20.3
137.00597	1.7
139.02127	1.0
142.05110	0.6
145.02863	14.3
147.02654	1.9
147.04388	0.7
149.00557	7.5
153.06577	0.8
155.01578	1.0
163.02242	5.4
163.03915	100.0
164.04282	0.9
165.00044	1.4
167.01581	3.2
173.00642	1.1
175.02122	2.0
175.06317	0.7
178.02635	2.1
179.01686	1.6
180.06557	4.4
182.63519	0.5
183.01093	2.8
191.01645	6.2
193.03267	0.9
195.01122	13.9
208.04271	1.6
209.02670	7.6
211.00601	8.3
219.01015	2.8
237.02168	13.2
237.04439	0.9
255.03244	4.9
272.05911	4.2
282.04169	0.7
294.04315	2.3
312.05542	1.7
339.06351	0.8
357.07736	0.8
358.05930	5.3
375.08582	35.1
383.09027	3.8
386.25815	0.7
411.08560	1.7
429.09811	3.8
441.09314	0.8
462.08505	8.9
468.10834	0.6
486.11783	0.8
504.12842	11.8
537.11938	3.7
591.12866	7.3
666.15863	1.9
671.01953	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	665.4057
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
53.03952	1.2
55.05524	4.0
57.07063	2.0
58.72182	0.7
63.02386	1.1
65.90404	0.7
67.05510	6.6
69.07079	5.3
79.05501	6.4
79.26226	0.6
81.03401	1.0
81.07066	9.0
83.04993	1.2
83.08634	4.4
89.03944	7.7
91.05493	5.6
93.07055	8.9
94.03040	0.8
95.04973	1.5
95.08616	14.7
97.06524	1.7
99.08121	1.8
105.07043	10.3
106.04070	0.7
106.07384	0.9
107.08610	14.6
109.06544	1.6
109.10161	10.0
111.08083	0.8
117.02596	1.5
117.03387	16.8
117.07010	2.0
119.08598	18.0
121.06467	0.8
121.10155	13.0
123.11743	4.2
123.12523	0.9
129.07048	1.3
131.08585	8.3
133.09106	0.8
133.10139	16.7
134.03651	1.6
135.04428	2.7
135.11719	8.2
137.09630	1.6
137.13248	2.5
142.07875	0.8
143.08580	5.3
145.02863	47.1
145.10133	12.5
147.11699	10.2
149.06006	7.0
149.13263	5.9
153.05482	0.8
155.08565	2.0
156.09346	0.9
157.10121	4.4
158.10976	0.7
159.11713	10.8
161.13245	6.8
163.03905	2.7
163.07576	1.2
163.11191	2.4
163.14857	4.1
166.07742	0.7
169.10129	2.3
171.11661	3.7
173.13297	6.6
175.14839	8.0
177.05487	100.0
177.12769	0.9
177.16449	5.2
177.37076	0.7
178.05760	1.3
179.14328	1.3
181.10149	1.0
183.11723	2.1
185.13315	7.1
186.05562	1.1
187.14836	12.8
189.16411	5.6
191.17924	2.0
195.06555	11.9
195.11688	1.0
197.13283	1.6
199.14842	5.8
201.16396	15.3
203.14401	4.3
203.16158	0.8
203.17944	4.6
205.15833	4.5
207.17451	2.6
209.13243	0.9
211.14842	2.5
213.16393	4.4
215.14331	0.9
215.17914	2.6
219.13940	1.2
219.17455	2.2
223.14871	1.6
223.16858	0.9
225.16440	1.4
227.17960	2.7
229.19481	1.3
231.17509	0.8
233.15424	2.1
233.18991	0.9
237.16408	0.9
239.17841	1.6
241.19630	1.4
243.20984	0.9
245.15424	1.9
247.16899	2.4
249.14851	5.7
253.19606	1.4
259.09692	1.7
259.17020	1.6
267.21042	1.0
275.20029	1.7
279.21063	1.0
287.26981	0.7
299.23660	0.9
309.26251	0.8
325.21606	0.8
341.24814	0.9
349.28738	1.4
359.73074	0.7
367.29807	0.8
389.32004	2.9
395.29303	1.9
407.33121	14.4
409.30771	2.1
425.34256	3.7
435.32623	7.2
436.03073	0.8
453.33792	6.0
464.89822	0.8
471.34644	0.9
647.39252	6.4
665.39447	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	665.405
Annotation	Bisandrographolide B
Peak:m/z	Relative Intensity
53.03964	1.0
53.54566	0.5
55.05511	6.8
57.07066	2.1
57.07339	0.5
63.02372	0.7
65.03935	0.7
67.05508	7.7
69.06771	0.6
69.07074	7.1
71.04984	0.9
76.01009	0.5
77.03887	0.6
78.04705	0.5
79.05501	5.2
81.07063	14.7
83.08625	12.2
89.03908	8.3
89.95710	0.5
91.05480	7.6
92.04859	0.5
93.07044	12.0
95.04977	1.3
95.08614	26.5
97.10175	0.9
99.08084	2.0
103.05488	0.9
105.07040	17.4
107.08598	22.4
109.06542	0.9
109.10153	11.3
115.05468	0.8
117.03391	19.0
117.07030	2.5
119.08589	31.0
121.06521	0.9
121.09319	1.0
121.10150	14.5
123.08025	0.8
123.11719	7.9
128.06317	0.6
129.07019	2.5
130.07753	0.7
131.08575	10.5
133.10136	17.4
134.03641	2.1
135.04402	1.6
135.11705	12.1
137.13242	3.0
141.06918	0.6
143.08565	6.6
144.09314	0.9
145.02856	52.5
145.10130	17.1
147.11697	14.4
149.05994	8.7
149.13274	5.4
151.07507	0.9
151.14781	0.9
155.08539	2.0
156.09393	0.9
157.10141	6.9
158.10876	1.3
158.21196	0.6
159.11697	14.7
161.09595	0.8
161.13268	8.2
163.03879	3.2
163.07567	1.9
163.11186	0.7
163.14848	6.5
165.12718	1.0
169.10106	2.8
170.10994	1.0
171.11711	7.4
172.12378	0.5
173.13281	10.0
174.70915	0.5
175.11206	0.6
175.14838	12.8
177.05479	100.0
177.16389	7.3
178.05827	1.3
179.14398	1.0
181.10042	0.9
183.11703	3.5
183.85486	0.6
184.12495	0.9
185.13281	9.1
186.05457	1.5
187.14845	13.9
189.16406	17.5
191.17996	2.9
195.06543	27.6
195.11618	1.2
196.12502	0.6
197.13280	4.8
199.14830	9.4
201.16393	21.5
203.14351	3.7
203.17967	8.5
205.15869	3.7
205.19292	0.7
207.11867	0.7
207.13817	0.5
207.17444	5.8
209.13307	2.2
211.14847	5.8
213.16391	10.6
215.14362	1.0
215.17946	5.0
217.15977	1.1
217.19522	2.5
219.13823	1.2
219.17444	1.9
221.13281	0.7
221.15289	0.7
223.14919	1.0
225.16368	2.1
227.17870	2.6
229.15950	0.7
229.19540	1.5
231.13837	1.0
231.17383	2.2
233.15378	2.9
237.16409	1.5
239.17973	2.5
241.19572	2.4
243.21074	1.2
245.15427	3.9
247.16959	2.8
249.12546	0.6
249.14738	3.0
251.17993	1.4
253.19505	2.8
255.21033	1.6
257.15375	1.0
259.16928	5.1
265.19507	1.2
267.21143	3.1
271.17337	0.6
279.21024	1.3
283.20624	0.6
283.24203	1.0
285.18631	0.9
295.24216	0.9
297.18469	1.2
299.20038	2.1
307.24231	1.3
313.21799	0.9
319.24042	1.0
325.21490	0.8
327.23203	1.8
333.25897	0.8
339.23294	0.7
347.27258	0.6
353.24719	1.9
363.30414	1.0
365.24542	0.8
377.07657	0.6
379.26385	1.0
381.31656	1.2
389.32037	7.2
391.33609	2.0
407.33118	12.9
409.30917	15.2
425.34116	2.1
427.32007	1.5
435.32623	29.1
436.32831	1.6
453.33624	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	665.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.1
55.01856	7.9
55.05508	7.6
57.03427	8.2
61.02913	8.0
66.87052	2.1
67.05508	20.3
68.99774	6.1
69.03069	2.7
69.03436	42.9
69.07069	14.8
71.04997	12.0
71.59621	3.4
72.14526	2.2
73.02911	8.4
79.05491	10.4
81.03423	43.0
81.07079	26.5
83.05010	2.9
83.08633	5.3
85.02911	100.0
85.06550	97.6
86.73128	2.2
87.00838	41.9
91.03944	3.3
91.05486	11.1
93.07059	26.5
95.04968	4.7
95.08610	34.0
97.02892	49.7
97.06517	5.3
99.04466	14.0
101.89510	2.1
105.01878	48.1
105.07042	23.6
107.04978	2.8
107.08594	31.4
109.02882	39.5
109.06573	2.9
109.10171	49.3
111.08058	5.8
113.59882	2.2
117.07048	2.9
119.08591	38.9
121.10158	32.6
123.08031	5.7
123.11684	10.6
125.09617	4.3
127.03928	77.2
127.11167	4.1
129.01860	4.2
129.06979	4.2
131.08574	8.8
133.10120	22.2
135.08069	9.1
135.11699	16.6
135.69380	2.1
137.13268	2.8
143.08553	4.2
145.04955	21.3
145.10114	14.0
147.02925	2.5
147.11694	16.0
149.09610	5.7
149.13263	16.0
155.08530	2.6
157.10138	6.1
159.02853	13.1
159.11699	11.7
161.09639	3.9
161.13268	21.4
163.03996	5.2
163.11189	29.1
163.14813	13.3
171.11720	2.6
173.13272	9.4
175.11240	5.8
175.14810	28.2
177.12772	3.7
177.16368	5.4
179.14354	4.0
181.16005	2.8
185.13283	3.3
187.06110	3.2
187.14879	12.4
189.09039	2.2
189.12776	2.9
189.16388	8.4
191.14297	2.7
193.15924	16.4
199.14810	3.7
201.16388	9.6
203.14323	8.2
203.17960	2.9
205.15898	77.7
205.17834	4.7
207.17448	4.8
213.03896	7.9
213.16533	3.6
215.07071	5.0
217.15863	3.7
219.17459	6.0
231.04958	15.3
231.17503	4.1
237.18550	2.8
237.69363	2.3
241.19310	2.5
259.09717	6.6
263.20108	3.0
275.20099	3.5
329.41019	2.2
381.31516	29.9
392.91663	2.5
399.32620	96.5
400.32767	2.2
417.33707	16.8
647.37762	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	664.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01870	4.0
55.05520	32.0
57.03445	19.9
57.07076	12.2
65.03928	3.5
67.05506	100.0
69.06712	4.6
69.07069	39.8
69.58987	19.3
71.05006	4.5
71.08633	7.0
79.05496	58.2
81.06573	5.1
81.07060	97.7
83.04976	5.6
83.08622	21.3
85.06546	3.6
91.05481	52.9
92.05849	3.2
93.07046	62.8
95.04977	10.1
95.08608	68.8
97.06531	9.4
97.10166	12.8
99.07217	2.7
99.08105	5.2
105.04540	3.8
105.07037	48.0
107.08595	31.7
109.06527	7.8
109.10156	32.2
109.43540	2.5
111.08118	6.3
111.11726	3.2
117.07042	23.2
119.08590	38.3
121.06530	2.5
121.10163	23.3
123.11727	6.7
125.09679	4.1
129.07010	8.7
131.08582	29.4
133.10158	25.5
135.11719	9.6
137.13249	2.9
143.08592	9.1
145.10143	24.8
147.11716	16.1
149.09613	4.6
149.13266	6.0
155.08540	4.5
157.10149	9.4
159.11717	20.9
161.13251	12.4
163.11208	3.0
169.10109	5.4
171.11687	8.4
173.13239	13.6
175.14854	4.7
177.12686	2.7
183.11743	4.4
185.13249	15.1
189.16261	2.7
197.13243	3.2
203.14340	8.6
206.53629	2.7
219.17473	7.1
227.12744	9.7
229.14308	3.7
229.19617	3.4
239.17949	8.4
252.36592	2.7
257.19037	15.0
261.21997	3.8
269.17569	3.2
275.20056	30.5
277.21805	3.2
327.07776	5.9
331.22949	4.9
335.25903	8.5
337.27362	84.4
349.23749	17.3
384.14215	2.9
424.58002	3.2
491.37402	10.7
529.38794	8.2
552.32892	7.4
557.41852	3.5
608.39752	3.4
611.46661	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	663.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89115	0.4
53.03950	1.2
55.01867	1.2
57.03423	1.6
61.27661	0.4
63.02382	0.9
69.03079	0.6
69.03433	9.7
69.82985	2.4
71.01356	0.8
71.05004	4.2
73.02907	0.6
73.46836	0.4
78.04716	0.7
81.03423	14.8
84.46333	0.4
89.03918	7.8
91.05478	0.6
95.45972	0.5
97.93371	0.5
98.67295	0.4
99.04464	5.7
102.45440	0.5
103.03956	0.6
109.02856	0.6
117.03389	20.8
117.05501	1.7
118.06532	1.8
123.77141	0.5
134.03656	1.5
135.04428	1.5
143.53822	0.5
145.02859	52.8
145.07590	3.5
147.04381	0.5
147.09189	5.8
149.05991	7.4
158.11211	0.5
162.07939	1.0
163.03867	2.0
163.08649	0.9
173.07129	8.9
175.08678	6.3
177.05484	100.0
178.05827	0.8
184.81499	0.4
186.05510	1.0
190.07391	0.6
191.08170	96.2
192.08521	1.5
195.06395	0.5
205.09665	0.7
217.98935	0.5
231.11400	0.6
233.09222	1.1
289.11859	1.9
307.12897	26.7
321.09708	1.6
325.13959	82.2
326.14313	1.3
333.24908	0.5
339.10928	3.2
483.17551	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	663.3891
Annotation	Yungensin E
Peak:m/z	Relative Intensity
53.03937	1.6
55.05514	6.5
57.07061	2.0
57.25990	1.0
61.69616	1.2
65.03915	1.2
67.05506	7.7
67.25078	1.1
69.07069	10.3
71.04996	1.3
71.59483	1.4
79.05492	7.3
81.07056	13.3
83.04974	2.0
83.08619	9.1
84.33527	1.2
85.02933	1.0
85.06515	2.0
89.03932	10.0
91.05486	10.2
93.07046	13.6
95.04984	1.5
95.08606	21.4
97.06509	1.2
97.10114	1.3
99.08112	1.0
103.05435	1.6
105.07037	22.4
107.08596	23.1
109.06509	2.0
109.10151	10.0
111.26017	1.1
117.03382	18.1
117.06995	4.2
119.08586	31.6
121.10152	14.8
123.08056	1.9
123.11726	7.4
129.06960	3.8
131.08563	15.9
133.06425	1.1
133.10136	15.4
134.03627	1.4
135.04401	2.9
135.08041	1.6
135.11703	15.9
136.91286	1.0
137.13243	2.3
141.06967	1.3
142.07782	3.0
143.08575	9.7
144.09358	1.3
145.02855	47.3
145.10117	25.3
147.11713	9.6
149.06000	10.2
149.09563	1.1
149.13283	9.0
155.08528	3.7
156.09322	1.9
157.10135	9.9
158.10873	2.9
159.11694	17.5
161.09663	1.3
161.13232	9.1
163.03856	3.5
163.07544	2.6
163.14798	3.0
168.09319	1.9
169.10144	5.9
170.10896	1.9
171.11711	8.4
172.12524	1.4
173.13268	17.1
175.11172	1.3
175.14839	16.7
177.05473	100.0
177.12668	1.3
177.16397	4.7
179.08481	1.7
181.10052	2.0
183.11696	11.0
185.13260	10.3
186.57863	1.0
187.11179	1.2
187.14836	13.7
189.16368	13.6
191.17935	4.8
195.06544	16.9
195.11674	3.4
196.12546	1.1
197.13226	5.3
199.11272	1.3
199.14839	11.8
201.12762	21.8
201.16364	12.0
203.17928	4.1
205.12253	4.3
205.15895	6.2
207.11708	2.1
209.13199	3.8
211.14777	5.4
213.16270	2.3
215.14355	3.8
215.17921	3.0
217.15846	3.2
219.13837	2.4
221.13245	1.3
223.14792	3.1
225.16321	2.5
227.17795	1.5
229.15927	1.5
229.19499	2.2
231.13737	2.1
233.15463	1.1
235.14827	1.4
237.16406	2.1
239.17940	2.9
245.15396	2.4
247.13274	11.4
247.16951	2.7
249.16469	1.5
251.17967	2.3
253.19429	1.8
256.13565	1.0
257.15417	3.4
259.17044	1.5
265.19473	1.6
277.19504	1.2
297.01276	1.1
305.22565	1.3
317.22604	1.3
325.21774	1.2
351.23108	2.0
361.28693	3.5
387.30524	7.3
405.31644	8.8
407.29370	14.1
433.31061	17.3
451.32117	12.0
469.33270	1.4
574.18420	1.1
576.09155	1.2
595.54260	1.3
663.38293	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
55.05513	38.8
57.03433	31.2
57.07067	6.1
65.03922	5.2
67.05173	5.7
67.05511	92.1
67.36966	4.0
69.03419	4.1
69.06773	3.4
69.07072	35.9
69.88472	12.0
69.88890	5.0
71.04980	6.1
78.76604	3.0
79.05061	6.3
79.05498	85.7
81.03391	4.3
81.07060	99.2
83.04964	6.0
83.08627	18.6
85.06528	4.8
87.04452	18.3
87.57202	3.2
91.05490	73.9
92.60580	3.2
93.07054	100.0
95.04969	12.6
95.08611	68.9
97.06541	6.6
97.10182	8.3
99.08083	6.5
105.07030	74.5
107.04974	5.9
107.08596	49.7
109.06517	10.2
109.10165	28.5
115.05441	4.3
117.07013	30.1
119.07819	3.6
119.08588	54.3
121.06540	3.6
121.10164	26.4
123.11685	8.9
125.09622	5.3
129.06978	18.9
131.08580	41.6
133.10139	41.0
135.08093	5.2
135.11696	14.4
135.61632	3.5
137.09644	3.7
141.06992	5.9
143.08548	17.2
145.10121	38.0
147.11667	29.5
149.09607	10.5
149.13232	7.1
151.11327	4.0
155.08600	8.1
157.10150	18.5
158.31117	3.8
159.11720	34.0
161.09482	4.3
161.13229	10.7
163.11185	6.4
169.10115	7.6
171.11719	10.5
173.13237	16.5
183.11661	10.9
185.13322	26.1
187.14809	4.9
189.12674	4.6
191.14372	3.4
197.13206	5.9
199.14941	4.1
201.16432	4.8
203.14352	9.2
219.17392	9.6
227.12753	8.3
229.19531	5.0
239.17981	14.2
257.19052	24.5
259.20474	6.3
261.22137	6.9
267.15811	8.2
275.20062	45.3
331.22818	5.0
335.22012	6.5
335.25824	86.2
349.23721	33.6
351.25494	3.6
515.61182	3.8
609.44879	34.8
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
53.03944	7.5
55.01868	4.7
55.05516	31.5
57.03447	20.9
57.07074	7.8
65.03930	5.5
65.99426	1.7
67.05509	100.0
69.03423	2.7
69.07070	26.7
71.04988	3.6
71.19599	1.9
71.19926	2.0
77.03922	2.6
79.05499	83.5
79.05959	4.2
80.73262	1.8
81.03400	3.6
81.07059	95.9
83.04974	8.7
83.08616	17.6
85.06569	4.6
87.04471	25.5
91.05486	74.8
93.07047	88.4
95.04982	10.2
95.08611	67.6
97.06526	8.9
97.10156	5.3
99.08099	3.1
103.05482	2.2
105.07033	49.7
107.04970	3.8
107.08598	47.5
109.06490	5.7
109.10155	30.9
111.08128	5.0
113.09626	2.3
117.07015	24.4
119.07787	3.2
119.08589	39.7
121.06536	3.2
121.10149	31.7
123.08029	2.6
123.11694	8.4
125.09610	3.4
129.07004	7.8
131.08578	26.6
133.10143	31.3
135.08058	2.7
135.11688	26.3
137.09605	5.9
143.08514	9.7
145.10138	23.5
147.08046	2.9
147.11731	17.5
149.09625	3.4
149.13266	12.0
149.53342	1.9
151.11198	2.3
155.08554	3.8
157.10133	7.5
159.11693	20.0
161.09648	3.3
161.13281	11.0
163.11156	5.0
165.12819	2.7
169.10066	2.9
171.11720	4.6
173.11885	2.1
173.13252	7.6
175.14813	4.2
177.12706	4.9
183.11674	2.5
185.13286	6.1
187.14905	9.0
189.12837	2.4
199.14732	4.6
205.15869	3.6
219.12267	2.6
219.17538	3.1
229.14360	7.3
239.18065	2.9
241.19508	3.6
243.21190	2.4
255.15958	4.0
257.19046	8.0
259.20526	11.7
261.22137	5.6
269.17538	7.3
275.20078	18.5
277.21661	7.1
293.21048	5.6
309.20590	2.1
331.22571	2.4
333.24261	8.1
335.25806	56.1
346.46957	1.7
349.23706	10.1
351.25323	14.0
367.25082	2.2
459.21695	6.3
475.21780	3.0
489.35706	6.4
515.37146	5.0
529.38977	32.9
543.40265	2.7
569.42035	13.2
606.27820	8.3
609.45038	6.9
622.27319	6.8
627.45850	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	662.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75126	3.5
53.03941	8.9
55.01873	6.5
55.05517	40.6
57.03435	18.5
57.07063	12.8
65.03938	3.1
67.05502	86.4
67.20975	3.6
69.07073	29.9
71.04985	4.1
79.05495	72.6
81.07059	89.8
83.04974	7.1
83.08615	21.7
83.88977	3.5
87.04471	55.0
91.05480	75.1
93.07043	78.9
95.04980	9.1
95.08610	53.8
96.43222	4.1
97.06512	9.2
97.10167	26.3
99.08070	4.6
105.07035	57.9
107.04954	4.9
107.07951	6.2
107.08596	60.7
109.06500	9.7
109.10139	27.0
117.07030	23.1
119.08583	41.3
121.06498	4.3
121.10138	33.8
123.08098	4.5
123.11707	6.4
125.09626	22.6
129.06985	14.4
131.08566	30.3
133.10126	28.5
135.08069	5.7
135.11678	16.8
137.09605	5.6
139.47801	4.4
141.07008	5.0
143.08557	5.2
145.10127	31.2
147.11664	28.0
149.09605	7.7
149.13210	6.5
157.10121	14.7
159.11662	19.8
161.13272	13.0
163.11125	5.9
169.10184	5.8
171.11671	7.0
173.13300	12.9
177.12666	3.6
183.11671	5.1
185.13281	20.4
189.11195	10.5
189.58508	3.7
197.13362	6.2
199.14803	5.1
201.72342	4.0
203.14273	6.6
219.17448	12.5
227.12796	48.8
239.17831	5.6
257.18921	17.3
259.20682	7.0
261.22162	13.3
263.42529	3.9
267.15924	9.5
270.75204	4.6
275.20047	59.4
277.21609	7.1
335.25812	100.0
349.23682	46.0
505.35471	6.0
545.38129	6.4
604.16455	4.7
609.45020	61.7
622.27240	8.7
627.46326	9.0
640.97437	4.4
662.23926	14.1
662.44495	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
55.05512	35.8
57.03433	17.1
57.07065	21.1
67.05508	87.6
69.07059	24.6
71.59522	8.5
79.05496	84.6
81.07065	100.0
83.08599	17.5
85.06520	6.1
87.04469	72.7
91.05493	73.9
92.61007	6.7
93.07048	78.0
95.04964	14.1
95.08608	65.6
105.07040	77.4
107.08036	5.5
107.08622	46.0
109.06487	9.5
109.10136	22.8
117.07015	25.6
119.08566	60.7
121.10143	41.6
129.06984	10.5
131.08583	44.1
132.15033	6.6
133.10144	46.2
135.08124	5.9
135.11703	19.9
135.74744	5.9
143.08585	15.7
145.10133	34.0
147.11752	30.6
149.09598	9.1
149.13326	6.4
157.10088	16.8
159.11714	26.1
161.13239	21.2
169.10152	8.4
171.11696	14.9
172.12788	6.5
173.13231	9.9
175.14917	7.3
183.11716	12.2
185.13197	10.3
187.14758	12.4
199.14963	6.2
241.19603	14.9
259.20529	31.5
277.21585	15.9
307.14371	6.8
309.41977	7.1
333.24393	50.8
351.25235	21.4
553.55597	6.4
609.44647	26.7
627.45154	6.6
662.45172	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	662.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
57.03433	2.5
57.07073	3.5
67.05515	8.0
67.07240	1.4
69.07088	1.4
71.16616	3.4
77.21741	1.4
79.05499	4.4
81.07064	5.7
87.04471	20.6
88.65433	1.4
91.05482	3.6
93.07052	6.1
95.08602	2.6
105.07050	4.3
107.08590	2.4
109.10133	2.4
119.08588	3.1
121.10139	2.6
122.07155	1.5
133.10124	1.7
135.11653	1.8
147.11679	1.8
160.90770	1.5
173.13327	1.8
277.21466	1.6
319.46429	1.9
403.19479	3.4
405.20837	2.4
415.19305	2.0
417.20926	2.9
418.21570	2.8
431.18491	3.6
431.23260	2.6
433.24234	8.6
443.18527	2.1
444.18964	7.4
445.20377	6.7
446.16879	3.8
447.18173	6.9
448.18506	2.8
457.20981	1.7
459.21875	52.6
460.22440	9.7
461.23441	5.3
473.23297	2.8
475.21402	18.0
476.21930	4.2
477.23074	3.0
487.25211	2.2
503.24780	2.7
519.23779	9.3
531.23767	3.3
533.21448	2.7
535.23254	2.6
545.25006	3.7
546.25665	2.8
547.27295	29.5
562.25494	2.5
563.26178	4.0
589.64929	1.6
590.25159	4.1
591.26141	3.0
593.24048	6.9
605.27582	6.0
606.28400	100.0
607.28278	6.9
622.27838	69.0
623.27686	3.6
630.27039	3.4
662.29730	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	661.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.3
52.14840	1.6
53.03945	15.6
53.81001	1.5
55.01875	7.4
55.05261	2.2
55.05514	30.4
57.03433	10.2
57.07072	2.4
65.03945	4.9
67.05509	70.2
69.03436	33.2
69.07080	13.8
71.05002	11.4
71.59664	3.1
73.02913	2.0
73.06566	1.7
77.03972	1.8
79.05498	90.8
81.03423	100.0
81.07059	64.5
81.54869	1.7
83.04989	23.5
83.08628	24.6
85.02920	20.5
85.06558	3.7
87.04487	1.9
89.06023	4.1
91.05490	71.8
93.07053	78.8
95.04974	38.7
95.08614	36.5
96.23507	2.1
97.02896	20.8
97.06512	9.1
97.10197	6.4
99.04462	6.6
99.08099	4.8
103.05476	1.9
105.04539	3.8
105.07040	44.9
107.04935	10.2
107.08602	28.4
109.02893	19.8
109.06516	8.3
109.10165	13.4
111.04450	13.6
111.08096	14.0
115.05485	2.7
117.07027	14.2
119.08599	35.5
121.06523	4.5
121.10155	39.6
123.04455	3.0
123.08060	5.6
123.11705	5.2
125.09663	5.7
127.03936	11.2
127.91809	1.6
128.06227	2.5
129.05530	3.3
129.07002	19.9
131.04941	2.8
131.08583	29.2
133.06519	6.4
133.10147	25.2
135.08105	4.4
135.11726	17.2
137.09642	4.6
141.07011	2.8
142.07829	4.6
143.08560	11.6
145.06548	3.8
145.10136	17.3
147.08067	6.5
147.11693	26.0
149.09656	6.8
149.13322	5.5
151.11198	2.1
153.12746	1.8
155.08580	5.7
157.10127	18.1
159.08084	3.1
159.11630	10.2
161.09680	2.2
161.13283	3.8
163.11194	8.3
165.09262	1.8
165.12796	5.1
167.08595	2.4
169.10194	5.7
171.08121	2.7
171.11734	8.3
173.04390	3.8
173.09706	3.3
173.13313	6.1
175.11244	16.4
177.11110	1.8
177.12691	2.5
181.12286	5.5
183.06528	2.1
183.08112	2.5
183.11743	4.9
185.13246	3.8
187.11336	3.0
189.12836	2.5
191.10733	7.3
193.10484	1.6
193.12254	44.7
195.11725	2.1
197.13173	2.3
199.11244	2.4
207.11777	1.8
209.13298	2.6
211.13280	62.3
211.15184	4.2
213.12871	4.0
213.16519	3.4
215.18054	7.1
216.28749	1.7
227.12862	5.4
231.17570	2.4
233.19044	4.3
235.13292	1.8
243.17567	2.1
249.14655	1.9
267.15906	6.5
273.18411	1.9
285.17020	9.5
287.20093	2.3
289.21759	2.0
307.22665	13.1
323.19986	4.7
337.16650	3.9
341.21213	6.2
355.17447	8.8
407.29501	3.9
411.20413	6.1
415.24734	2.5
425.30615	2.2
433.26025	3.9
499.34152	12.1
517.35205	9.6
607.36438	2.8
625.36963	4.7
643.38831	5.7
661.39490	72.3
662.38879	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	661.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19616	1.3
60.57135	1.3
69.26017	13.0
78.67495	1.6
79.05502	1.7
81.05782	1.9
82.06558	1.6
83.27183	1.3
91.05472	2.2
93.07012	6.0
94.06582	11.1
95.07362	6.8
96.08144	17.8
103.05480	1.9
108.04500	2.2
108.08112	16.5
109.08904	2.1
110.09680	33.7
116.04990	3.5
118.06556	1.5
120.04458	5.8
120.08115	21.1
122.06004	3.0
124.07596	12.1
134.06030	2.3
136.07611	11.5
138.05478	3.8
138.08124	2.9
138.09151	42.6
144.04443	7.0
146.06000	6.3
148.03964	1.4
148.07542	5.9
152.07088	1.4
160.03934	3.2
162.05501	5.2
163.03909	2.7
164.07112	2.5
166.04996	3.2
166.08643	68.8
172.03931	39.7
185.10719	1.6
188.06921	2.0
190.05003	15.8
192.06587	1.7
198.09160	1.4
204.04706	3.0
204.06575	35.5
209.10760	2.3
211.08722	1.6
211.12344	1.7
212.09462	4.0
223.08913	1.5
223.12325	1.9
224.09406	4.0
225.10216	5.0
227.07985	1.7
227.11823	6.7
235.08757	1.9
236.09467	3.7
237.10229	13.6
238.11006	2.6
239.08220	2.9
239.11729	6.2
241.09709	3.6
243.11247	2.0
245.12863	1.8
249.10280	4.3
250.11075	2.2
251.08043	2.3
251.11763	8.2
252.08806	2.9
252.12628	3.3
253.09685	14.9
255.11305	2.9
263.11880	2.2
264.08939	2.5
264.12305	1.9
265.09747	21.3
266.10379	6.9
267.11285	7.3
269.12854	5.9
271.10767	5.9
273.12311	6.6
278.06702	4.2
279.11310	9.3
280.11810	2.2
281.09567	2.9
281.12842	6.3
282.09891	1.9
283.10715	10.4
285.12344	6.3
287.13937	6.5
289.09818	2.0
291.11386	3.7
292.08163	1.8
293.09274	17.0
293.12399	2.4
294.09894	5.5
295.10684	5.0
297.12433	10.2
299.10272	3.6
299.13699	2.7
300.11032	1.7
307.10678	5.5
309.12259	8.7
311.10297	3.9
312.11115	4.7
313.11838	5.7
323.10278	3.9
325.11832	21.9
327.13452	2.4
335.10361	6.5
336.11029	1.6
339.13278	2.6
340.10559	2.1
341.11380	21.2
342.12259	2.8
343.12994	3.2
344.13977	1.4
353.11331	14.8
356.13693	2.1
357.14468	11.9
358.15274	2.1
367.13022	1.5
370.15714	1.6
373.13950	6.2
385.13940	8.6
386.14569	2.3
388.16708	1.9
390.17908	1.7
398.14999	5.6
399.15405	7.2
404.16141	3.5
406.17270	1.8
416.15961	3.7
418.17496	2.6
420.19360	1.3
429.33820	1.7
434.20593	5.5
438.20126	2.4
446.17120	3.6
447.17920	2.7
458.17157	12.0
460.18665	4.2
462.20227	6.3
465.18835	9.5
466.20370	1.5
478.19751	10.9
479.20056	2.2
488.18250	7.8
489.18063	2.4
490.19461	4.2
495.79333	1.7
506.19254	100.0
507.19897	9.7
510.22128	2.0
515.03314	1.5
520.20850	9.9
521.21570	10.5
538.21857	18.1
611.25067	33.9
612.25232	1.6
643.27478	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	661.287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15051	2.2
78.21007	2.4
79.01821	2.5
91.05505	2.5
93.07063	6.8
94.06593	7.7
95.07343	4.7
96.08141	19.4
108.08129	16.1
110.09689	29.8
120.04467	8.5
120.08112	19.4
122.06048	6.6
124.07609	8.3
134.06018	4.2
136.07571	13.8
138.05510	7.2
138.09151	47.7
140.07059	2.0
142.46605	2.0
144.04472	11.5
146.06102	5.1
148.07600	7.0
152.07060	2.3
162.05582	4.0
166.04958	2.7
166.08659	65.7
172.03960	59.5
174.05434	2.4
180.62079	2.0
182.27956	2.2
190.05017	21.5
204.06590	72.5
209.10808	3.1
212.09514	2.7
213.10245	5.4
221.10864	2.1
222.11638	2.5
225.10251	5.8
227.11884	5.1
236.09480	2.3
237.10272	14.0
238.11143	2.7
239.08102	3.1
239.11768	4.8
241.09779	3.6
245.12845	3.8
251.08434	3.0
251.11865	7.2
252.09039	2.2
253.09753	5.8
255.11328	4.3
265.09778	15.5
266.10535	4.8
267.11386	6.1
269.12921	6.1
271.10776	5.9
273.12381	8.1
278.06775	2.6
279.11279	8.8
280.08490	2.7
281.09351	3.1
281.12823	5.8
283.10782	6.7
285.12424	3.3
287.13947	4.0
293.09213	19.0
294.09866	4.5
295.10828	4.2
297.12335	7.3
299.10361	3.9
309.12103	4.6
312.10995	3.7
313.11801	6.9
323.10458	2.9
325.11874	24.4
327.13562	3.8
335.10263	11.3
341.02512	2.3
341.11340	23.1
343.12979	2.7
353.11060	10.1
357.14487	24.2
358.15067	3.4
366.15860	2.4
373.13968	9.8
385.14084	9.8
398.14886	4.2
399.15723	8.3
416.15933	4.7
430.17673	3.2
446.17166	5.2
458.17279	9.0
460.18961	4.8
465.19067	7.9
478.19696	10.0
488.17862	13.1
490.19516	3.1
506.19250	100.0
507.19635	4.4
510.22522	2.3
520.20685	10.1
521.21368	2.9
538.21887	22.4
611.25031	25.9
643.28070	2.9
661.27795	5.6
671.29224	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	661.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
65.03957	0.9
70.97359	1.2
70.97705	1.7
79.05480	1.4
80.05012	0.8
81.05827	1.4
82.06566	1.1
83.93296	0.6
89.03960	1.0
91.05474	2.6
93.07043	5.9
94.06564	8.0
95.04986	0.9
95.07370	6.4
96.08142	15.5
97.06556	1.4
103.05486	1.2
106.06521	0.9
108.08120	12.4
110.09691	28.1
116.04988	2.5
118.06563	0.9
120.04481	4.3
120.08115	18.2
121.06531	0.8
121.89047	0.7
122.06013	4.1
123.06827	1.5
124.07586	9.5
134.06038	1.7
136.07573	7.6
138.05498	3.5
138.09149	38.6
144.04439	5.1
146.06041	5.5
146.30243	0.7
148.07553	7.9
150.05560	1.6
150.09181	1.1
152.07094	1.3
160.04012	2.3
162.05502	3.9
163.03893	1.3
164.07188	1.6
166.05011	4.4
166.08650	64.5
172.03955	31.5
174.05476	2.2
178.05040	1.4
190.04999	13.5
197.10721	1.6
204.06587	16.3
209.10695	1.8
211.12408	1.0
212.09439	2.0
213.10234	1.1
216.06688	1.1
222.11592	1.1
223.08742	1.2
223.12239	1.1
224.09496	2.7
225.10297	4.2
227.11784	4.2
235.08650	1.8
236.09485	2.1
236.30602	0.8
237.10194	10.7
238.10901	2.1
239.08272	1.7
239.11850	3.1
240.08969	1.4
241.09746	2.8
245.12894	1.1
247.14404	2.0
249.10255	2.2
250.11023	1.4
251.08241	1.9
251.11768	7.4
252.09015	2.3
252.12599	1.3
253.09740	7.9
253.13429	0.8
255.11296	2.5
263.11755	1.9
264.08914	1.5
265.09735	18.2
266.10410	3.9
267.11227	4.1
268.08517	0.9
269.12900	2.5
271.10822	3.1
273.12274	4.0
277.09805	1.1
278.06573	5.0
279.11328	7.6
280.08484	2.3
281.09140	2.5
281.12839	3.7
283.10812	7.3
285.12411	3.2
287.13922	2.3
291.11218	1.4
292.08017	1.9
293.09232	18.3
294.10110	4.1
295.10693	2.1
296.11584	1.2
297.12408	6.5
299.10452	3.6
299.13535	1.2
300.11139	2.1
301.11911	0.9
304.49469	0.8
307.10696	3.6
309.12302	4.7
311.10464	4.0
312.11081	3.5
313.11868	5.9
323.10251	2.4
325.11832	18.8
327.13596	1.2
335.10300	8.7
340.10605	2.7
341.11380	18.3
343.12839	2.5
353.11325	13.2
356.13644	0.9
357.14392	5.1
358.15155	1.3
359.15720	0.8
373.13919	8.4
385.13922	3.3
398.15161	1.5
399.15775	1.9
400.16733	1.1
418.17447	1.1
434.20749	2.0
437.19916	1.0
446.17380	1.6
458.17123	2.6
460.18628	3.3
462.20142	1.2
464.18338	0.9
465.18890	8.7
478.19791	8.5
488.18307	10.5
493.22076	1.4
506.19269	100.0
507.19672	4.8
510.22226	1.5
520.21484	1.8
521.21423	2.6
538.21857	12.7
539.22638	1.1
593.24188	1.1
611.24933	8.6
643.26758	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	660.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05514	17.4
57.03444	10.4
57.07070	3.4
59.05003	3.3
61.02927	4.9
65.03947	2.4
67.05508	100.0
69.07076	18.7
69.46663	9.4
71.04994	3.1
71.08637	1.9
79.05508	11.6
81.03404	1.3
81.07062	46.4
83.04980	2.5
83.08624	10.5
85.02895	3.4
85.06540	3.6
85.10154	2.0
89.06033	1.9
91.03955	1.3
91.05489	13.2
93.07047	14.5
95.04951	1.9
95.08611	26.5
97.02915	2.7
97.06528	1.8
97.10175	2.5
99.08109	2.8
105.07029	8.3
107.08620	5.6
109.10161	70.6
111.08075	4.5
119.08592	10.3
121.10165	3.7
121.85471	1.1
123.08095	1.9
123.11708	5.3
125.09677	1.5
127.11224	1.7
133.10146	4.9
135.11729	3.8
137.09636	4.7
137.13264	2.2
147.11697	3.1
149.13312	1.3
155.10681	4.0
161.13277	3.9
173.11755	19.2
175.14801	2.7
217.19540	7.1
229.14365	97.9
235.20628	8.7
238.80153	1.2
309.24258	71.6
310.24542	1.7
463.34229	76.2
464.34470	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	661.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76812	0.6
59.21078	0.6
65.03928	0.8
67.05499	1.4
69.33961	5.3
69.67830	0.6
70.06587	0.8
79.05499	2.0
82.06602	1.6
89.03927	1.5
91.05460	1.3
93.07044	1.6
94.06577	3.4
95.04966	1.1
95.07355	1.6
96.08138	6.0
97.06559	0.7
106.06574	1.1
108.08134	4.3
110.09689	5.2
116.04977	5.0
118.06557	1.0
120.08104	4.8
120.98408	0.6
122.06028	8.9
124.07600	20.5
127.03871	0.8
132.04520	1.3
134.06039	1.3
136.07588	27.0
138.09154	6.3
144.04454	12.4
146.06013	7.0
148.07565	2.7
152.07056	3.7
160.03937	6.8
162.05527	5.4
164.07086	37.9
166.08652	11.3
172.03947	59.3
173.04544	1.0
174.05489	2.2
182.08153	22.3
182.09743	1.3
190.04997	22.6
192.06580	1.3
194.08151	0.7
204.06578	100.0
205.06915	0.9
206.08148	1.9
212.25101	0.6
225.10254	0.7
237.10358	0.6
239.11903	0.8
251.11787	1.2
257.12915	0.9
264.08960	0.8
267.11295	0.7
279.11307	3.7
281.12711	1.0
283.11133	0.9
287.13919	2.6
290.61029	0.8
290.64740	0.7
291.35287	0.6
297.12387	9.7
299.13895	6.3
303.13300	1.7
305.14853	2.3
307.10834	1.8
315.13596	1.6
323.10208	1.4
325.11853	52.0
326.12146	1.0
327.13211	1.1
329.15024	1.4
339.13406	1.2
343.12891	9.4
343.16754	0.9
355.12711	1.2
357.14471	18.6
432.19168	2.7
441.82272	0.7
448.18576	1.2
458.17435	0.8
464.17758	7.4
472.18347	0.8
476.17844	3.1
478.19858	1.4
490.19928	0.9
494.18878	0.8
496.20712	2.3
504.21454	0.7
508.13873	0.7
508.20773	4.7
611.24847	2.1
629.26111	9.9
643.27472	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	659.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.4
55.01872	3.9
55.05516	12.2
57.03438	25.4
57.07076	1.5
61.02929	83.2
65.03943	1.9
67.05505	41.6
69.03072	2.7
69.03429	36.6
69.07069	7.4
70.73931	1.6
70.96960	2.5
70.97292	1.9
71.01340	4.1
71.04993	6.6
73.02912	27.0
73.28896	1.4
79.05499	28.6
81.03417	18.7
81.07059	36.3
82.48546	1.5
83.04971	4.2
83.08621	5.1
85.02906	100.0
85.06552	1.7
87.04475	3.5
91.03398	3.1
91.03960	54.2
91.05483	14.7
93.07044	27.8
95.04971	5.5
95.08604	28.4
97.02895	79.5
97.06512	2.7
97.10136	2.0
99.04459	12.0
99.99672	1.4
101.02386	10.5
103.03950	7.3
105.07027	14.0
105.88899	1.6
107.05000	1.3
107.08613	15.0
108.33350	1.4
108.69471	1.6
109.02878	12.7
109.06566	1.8
109.10166	16.4
111.04433	5.4
115.03950	5.6
115.05416	1.5
117.05517	2.8
117.07005	6.5
119.08592	10.8
121.10151	14.9
122.49397	1.4
122.66087	1.5
123.11699	6.5
127.03916	36.7
129.05475	4.2
131.08571	11.9
133.10127	10.4
135.11707	9.2
137.13266	2.4
143.08662	2.2
145.04970	24.3
145.10130	8.5
147.11688	7.7
149.13248	5.5
157.10104	2.4
159.06619	1.9
159.11736	6.7
161.09642	1.6
161.13258	4.2
163.06082	7.0
163.14841	3.7
171.06503	2.0
171.11746	2.2
173.13251	6.3
173.31989	1.5
175.14886	2.6
183.06506	6.1
183.11621	2.3
187.14792	3.9
201.07584	4.5
201.16389	1.7
208.09406	1.3
243.21143	4.5
259.20584	2.1
261.22134	13.3
285.21924	1.9
327.23273	1.7
335.25815	55.8
337.74649	1.4
351.22952	1.8
363.25378	2.7
369.23999	1.9
377.26990	2.1
443.27640	2.8
461.28619	2.5
479.29861	6.2
595.17389	1.9
627.20862	2.1
659.36078	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	659.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31651	0.5
67.05489	1.5
70.11707	2.4
76.69202	0.5
77.03973	0.5
79.05482	1.1
81.07040	0.8
82.06561	0.7
89.03902	1.1
92.83916	0.5
93.07027	0.8
94.06560	1.7
95.04965	0.6
95.07346	0.7
96.08123	2.5
97.06556	0.7
105.27539	0.5
105.47703	0.5
108.04469	0.9
108.08131	3.0
110.09689	3.7
116.04984	2.8
118.06498	0.5
119.04898	0.7
120.04492	0.8
120.08136	3.5
122.06061	4.4
124.07602	4.1
134.06027	1.2
136.07608	6.0
137.09639	0.6
138.09143	5.1
144.04428	5.8
144.08070	0.9
146.06003	1.6
148.07568	1.2
150.05489	1.2
152.07010	0.7
155.07332	0.5
155.08553	1.0
160.03868	1.4
160.07602	0.8
162.05502	3.8
165.07916	0.7
165.09149	4.9
166.08652	6.2
170.09659	4.2
172.03946	27.1
172.07590	0.9
172.11229	1.4
173.07076	0.7
173.08470	0.7
174.05515	0.6
174.09116	0.9
175.08688	1.6
178.04945	1.0
183.06831	0.6
184.11308	1.2
187.12321	5.6
190.04990	4.6
198.09169	24.7
199.08641	0.6
199.12297	0.7
200.09399	1.7
200.10915	1.0
204.06577	36.2
205.07042	0.7
211.08688	0.7
212.10866	4.3
215.09819	1.1
215.11818	17.6
216.10318	0.5
225.10225	1.3
226.08655	6.6
227.08296	0.7
227.11842	1.8
228.08873	1.2
229.09677	1.0
229.13399	1.3
231.11205	0.8
240.10165	2.2
241.09744	1.9
241.13438	1.2
242.10532	1.8
243.11304	100.0
244.11615	2.3
251.08115	0.5
251.11885	0.5
253.09723	1.0
255.11296	6.8
257.12900	5.8
267.11093	0.9
269.09232	1.3
269.12881	0.8
279.11450	1.1
283.10675	1.0
284.11594	1.2
285.12347	89.5
286.12750	2.8
297.12274	1.1
301.11829	6.5
302.12653	0.8
303.13403	84.8
304.13718	1.9
313.11716	1.1
325.11832	6.7
343.12643	0.5
357.14578	2.9
358.15372	1.6
359.15961	0.8
418.17261	0.9
428.16074	0.7
430.17688	1.2
462.16464	2.6
474.16507	2.7
476.18335	1.1
494.19363	1.1
506.19702	0.7
583.25623	4.8
599.24841	2.2
609.23065	1.7
626.53369	0.8
627.24615	7.3
641.26013	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	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.5
67.05499	2.7
69.86774	3.9
69.87191	1.6
79.05492	1.0
80.05035	1.9
82.06550	1.1
89.03902	1.2
93.07054	2.8
94.06551	6.5
95.04985	1.4
95.07342	3.1
96.08129	6.4
98.20898	1.2
103.05444	1.0
106.06546	1.2
108.04465	2.7
108.08116	8.2
109.10196	0.8
110.09697	7.8
116.04969	2.5
120.04477	1.7
120.08105	6.7
122.06036	10.1
124.03966	1.1
124.07622	5.5
130.06575	2.2
131.04984	0.9
131.07303	1.1
131.89511	0.9
132.08093	12.1
134.05998	1.7
135.06813	0.9
136.03928	2.7
136.07581	24.3
138.09155	11.8
144.04440	5.9
144.08090	2.6
146.05991	4.5
146.09692	2.1
148.07562	3.3
150.05510	1.9
152.07083	1.9
153.96213	0.9
154.05011	9.3
155.07216	1.0
156.08002	1.1
158.05995	4.5
158.09662	1.8
160.03957	7.4
160.07588	3.0
161.04745	1.0
161.07106	1.0
162.05528	3.4
163.03902	1.2
164.07062	3.1
166.08665	13.1
168.08145	1.2
170.09595	5.3
172.03940	28.3
172.07538	2.6
172.11324	1.6
173.10760	2.0
174.05464	1.4
174.09163	2.0
176.06960	1.1
178.04967	1.7
178.08664	3.1
183.06801	1.2
185.10704	1.5
186.05598	1.1
186.09200	1.4
187.08603	1.3
187.12276	5.0
188.07156	1.0
190.04970	5.6
192.10263	5.4
192.11732	1.0
196.07558	1.8
196.73138	0.9
198.05450	1.0
198.07361	1.7
198.09172	28.1
199.08554	1.3
200.09369	2.5
200.10930	1.6
201.08131	1.1
201.10139	1.7
202.08684	1.2
204.06572	42.2
204.08492	2.1
204.10246	3.3
212.10851	4.2
213.10234	3.6
214.07228	1.4
215.11821	20.6
218.08153	4.0
225.10228	3.0
226.08897	5.7
227.08127	1.7
227.11765	3.0
228.08977	1.4
229.09680	2.6
231.07602	1.3
232.09706	1.6
234.11226	2.2
237.10286	1.6
239.11755	2.2
240.10493	1.7
241.09740	8.5
242.08020	1.3
243.11301	99.1
244.11597	1.9
246.07590	2.1
250.10748	5.6
253.09810	1.9
253.13249	1.5
255.11327	7.9
257.12939	4.9
259.10822	3.2
263.08023	1.1
264.08911	1.3
265.09741	1.8
267.11258	1.2
269.09229	4.3
269.12772	1.8
279.11374	2.0
281.12643	1.5
283.10846	1.3
285.12350	100.0
286.12567	2.0
287.10284	19.8
287.13632	1.2
293.09192	1.5
297.12524	2.0
301.11896	7.3
303.13409	87.6
304.13614	1.6
305.11334	30.9
313.12009	1.9
313.15417	12.7
315.09729	1.5
323.10544	1.4
323.13959	5.4
325.11832	5.0
341.15189	1.0
343.13120	1.3
351.09631	1.8
355.16531	12.1
357.14633	4.7
358.15417	3.7
370.15393	1.1
371.12598	1.5
386.14828	1.8
416.16016	2.1
417.17279	1.4
418.17557	3.5
428.16339	2.2
430.17877	1.6
434.17010	2.1
446.17270	1.9
458.17108	2.2
462.16623	6.5
474.16583	5.9
494.19434	2.8
504.17712	2.9
505.18549	1.9
506.19186	3.8
536.20105	5.6
537.20660	1.0
581.23926	1.9
583.25598	13.6
591.22247	1.7
599.25104	6.9
609.23450	7.0
627.24634	17.9
641.25623	1.1
659.37659	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	659.2346
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
51.33482	0.7
53.03955	0.9
54.11335	0.8
55.01869	1.7
55.05503	2.1
57.03428	0.8
63.96465	0.8
65.03943	0.9
66.95473	0.9
67.05513	6.7
69.03402	1.0
69.07060	2.2
71.59486	1.0
73.02961	1.0
79.05492	4.1
81.03465	1.3
81.07063	4.0
83.08614	1.3
89.09459	0.8
90.17848	0.9
91.05502	4.1
93.07052	3.1
95.04996	1.3
95.08618	3.2
97.06514	1.0
99.60241	0.9
105.07047	1.9
107.04942	0.9
107.08658	1.8
108.80009	0.8
109.10176	1.9
119.08595	2.9
121.10204	1.8
131.08586	1.3
133.10153	2.2
145.10170	1.9
163.11079	1.1
165.12807	0.8
183.11784	1.2
241.19928	0.9
275.20032	2.4
383.30151	0.9
385.12802	1.5
398.13995	0.9
399.14523	3.5
400.15268	4.9
401.16278	1.9
408.12601	1.9
409.13156	1.0
410.14069	0.9
412.15784	1.2
413.16071	3.0
414.16907	5.6
421.13132	2.2
422.13815	6.2
423.14526	5.6
424.15579	1.7
425.15933	1.3
426.17059	1.7
427.17905	1.7
428.18130	2.5
429.18973	3.7
435.14670	3.5
436.15494	5.4
437.16177	11.3
438.17035	1.7
439.17548	1.1
441.15277	2.4
442.16299	1.0
443.16986	1.4
449.16776	2.2
450.16992	3.7
451.18561	5.5
452.18594	2.9
453.16348	1.1
455.17609	1.4
457.18030	1.2
463.14175	1.7
464.15042	3.6
465.15594	4.6
465.20270	2.6
466.16245	1.7
467.17346	2.9
469.15256	3.1
470.15964	1.4
477.15701	1.7
478.16583	3.0
479.17307	3.2
480.18265	5.4
482.15576	2.5
483.16537	4.1
484.16595	6.1
493.19266	9.7
494.15948	2.9
495.16513	6.1
496.17435	2.6
498.15167	4.9
506.16122	1.1
507.16476	1.9
508.17517	8.5
509.18622	5.3
510.15015	1.7
511.20047	2.7
512.16669	19.8
513.16919	1.6
520.17651	1.1
521.18250	15.4
522.16046	4.1
522.18634	4.0
524.16864	1.6
526.15155	1.8
538.17731	1.0
539.19568	3.7
540.19598	9.1
543.22668	2.8
549.17651	1.8
553.20874	18.5
567.19177	1.4
571.21753	4.5
572.22284	10.4
581.20380	56.1
582.20880	2.7
585.23846	1.3
599.21075	34.0
600.21649	13.7
609.19592	2.4
613.22937	17.7
622.23132	3.3
627.20923	1.5
631.24207	3.6
641.22504	100.0
642.22833	5.5
644.21124	1.2
659.23431	29.2
660.23016	1.2
673.90503	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	659.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	17.4
62.51318	16.8
67.05533	25.4
69.07079	17.3
79.05510	23.9
81.07065	28.1
89.06039	67.1
93.07063	22.7
95.08591	26.8
133.08592	26.2
133.10182	22.0
159.35921	14.6
236.34035	16.6
246.97874	16.0
266.83524	14.9
518.08392	21.8
659.23071	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	658.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.05510	4.1
57.03447	6.6
57.07067	2.2
61.02913	2.2
62.81378	0.7
67.05512	19.3
69.03417	0.8
69.07072	4.5
69.83662	2.1
69.84055	1.3
71.08646	1.8
73.02924	0.9
79.05499	20.7
81.03439	0.9
81.07063	100.0
83.04977	1.2
83.08620	2.4
85.02908	2.3
85.10169	1.2
89.06046	2.5
91.05483	7.4
93.07057	14.9
93.32288	0.7
95.08611	13.6
97.02913	1.6
97.06567	1.1
97.10181	0.9
98.20786	0.9
99.08096	4.2
103.03974	0.9
105.07044	5.7
107.08604	6.9
109.06534	2.2
109.10159	6.8
117.07052	1.5
119.08599	4.1
121.10146	6.3
123.11732	2.9
127.07567	8.0
129.82056	0.8
131.08575	3.1
131.76431	0.8
133.08662	1.8
133.10101	4.7
135.11739	4.5
137.09669	0.8
137.93553	0.8
145.08618	8.0
145.10120	3.5
147.11714	2.2
149.13210	3.5
159.11726	2.9
161.13345	1.7
163.14877	2.2
173.13335	2.8
175.14908	1.3
177.16484	1.0
199.09731	2.8
201.11238	57.3
229.14368	1.2
243.21094	3.6
261.22180	11.8
261.24823	0.9
275.20102	0.7
317.24814	1.7
329.77429	0.8
335.25818	40.1
336.26315	1.5
369.28110	1.8
454.74271	1.0
461.32675	16.0
461.38953	1.1
479.33755	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	658.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01876	1.7
55.05515	14.9
57.03441	13.5
57.07074	2.1
59.05000	3.3
59.14609	0.7
61.02923	4.1
61.63112	0.6
65.03951	3.0
67.05509	100.0
69.03445	2.3
69.07068	7.7
69.07411	0.9
69.95827	3.7
71.04994	4.6
73.02917	1.8
77.03960	0.7
79.05499	36.4
80.05824	0.7
81.03423	2.2
81.07063	36.7
83.04991	2.2
83.08633	10.1
85.02905	6.2
85.06554	4.9
91.03960	3.2
91.05486	19.6
93.07053	40.3
95.04971	4.3
95.08616	26.2
95.09230	1.1
97.02921	3.0
97.06560	2.5
97.10179	2.0
99.08118	2.9
103.03975	0.8
105.04552	0.8
105.07038	11.7
107.04939	0.9
107.08601	15.4
109.06521	1.9
109.10164	73.3
110.10542	0.9
111.08084	4.2
117.07024	5.3
119.08588	12.5
121.10144	18.4
123.11750	3.5
125.09650	2.0
129.06993	1.5
131.08582	9.3
133.10149	8.6
135.08063	0.9
135.11703	15.1
137.09598	3.9
137.13309	0.7
141.28174	0.7
145.10139	6.8
147.11713	5.4
149.09586	0.9
149.13260	7.5
151.11208	1.3
155.10666	4.6
157.10237	1.0
159.11679	6.5
161.13292	1.6
173.11787	19.4
173.13306	4.3
175.14845	1.4
177.12755	1.2
187.14871	1.2
189.11284	1.7
205.19572	2.2
215.17972	20.7
224.00052	0.7
227.12842	3.3
229.14369	90.3
230.14847	0.9
233.19023	20.3
289.21637	1.7
296.86432	0.8
304.26334	0.8
307.22693	75.4
308.23145	1.5
369.27707	1.0
386.14911	0.8
412.14575	1.0
413.15964	0.9
427.17487	1.3
428.17859	3.4
456.17386	5.6
460.16806	0.9
461.32666	55.9
462.33041	1.9
479.33783	2.2
483.16599	1.5
484.17050	7.0
485.16833	1.3
488.16568	1.6
499.38132	1.8
500.16479	1.6
510.19357	0.9
512.16516	0.9
514.17163	0.8
517.39136	2.3
527.15802	1.6
528.15900	10.5
529.15771	1.9
539.18573	0.8
630.22668	12.1
631.22870	1.3
658.22260	35.7
659.22186	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	657.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16619	1.2
67.05489	4.4
69.07090	1.5
73.95969	1.1
75.03847	1.4
81.07045	1.4
87.01887	1.2
91.05492	1.6
95.08585	1.9
105.07018	1.7
107.08644	1.3
109.10144	1.8
130.67238	1.3
150.19063	1.3
209.10759	2.3
234.11601	1.6
235.12231	1.5
238.14650	1.7
247.12379	2.3
251.15556	1.8
261.13974	1.9
273.13779	2.0
274.93402	1.4
275.15350	2.5
287.15192	1.5
298.13428	1.6
317.14932	1.6
318.15848	1.9
338.16412	2.1
347.13712	1.4
352.17905	2.8
354.19879	1.5
363.16541	1.7
364.17825	2.4
365.18130	2.3
366.18872	1.5
375.16306	1.5
377.17798	4.3
378.18768	2.6
379.19455	6.5
388.17871	1.4
391.19196	6.0
392.20450	3.6
393.16879	3.8
393.20926	3.6
394.17642	1.7
405.21136	3.6
406.22015	2.8
407.18402	5.6
407.22623	3.8
408.19620	5.4
409.20258	5.8
419.18033	2.3
419.22928	1.7
421.20172	6.0
421.24786	2.5
422.20889	4.6
423.21893	24.7
424.22360	2.1
431.18793	1.9
433.20267	1.8
434.21359	2.2
435.22308	10.8
436.22394	5.3
437.23987	2.6
442.21475	1.7
446.20776	3.0
447.21964	2.5
449.23328	5.3
450.24274	2.7
451.21252	9.4
452.21466	2.0
453.22641	1.8
454.20078	6.2
461.23615	8.9
462.20673	2.2
463.21179	4.5
464.22189	2.4
465.23309	6.9
466.20847	2.3
467.24606	3.9
468.25128	3.8
477.23441	6.8
478.24033	3.8
479.25311	7.8
481.22311	2.7
491.20221	1.9
493.21332	9.2
494.25888	4.9
495.23746	18.6
496.24478	6.2
507.23654	3.9
508.24811	16.6
509.25711	13.9
510.26373	11.6
511.27475	16.0
519.24023	1.7
521.26294	7.4
522.26392	2.4
523.23267	5.4
525.28516	2.4
526.29358	3.2
537.25281	21.6
538.25562	13.5
539.26953	1.6
549.24805	1.8
551.22693	1.7
553.28864	11.6
555.25928	2.8
565.23926	5.7
566.24860	3.1
570.28125	4.0
581.27570	28.3
582.25305	2.4
583.25549	9.4
597.27167	55.6
598.27795	10.3
613.30273	76.8
614.30524	4.0
625.26611	100.0
626.26526	4.1
631.15338	1.8
657.29022	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	657.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.4
71.58570	1.6
79.05506	1.5
81.07055	2.7
82.77547	0.8
87.95634	0.9
93.07084	1.4
95.08608	2.2
100.73634	0.8
105.07062	1.5
107.08623	1.1
120.08051	1.3
127.23872	0.9
131.07280	1.2
132.08063	1.4
174.09222	1.1
210.11555	1.2
223.12286	1.6
233.10677	1.3
235.12411	1.6
237.14005	1.8
239.11717	1.0
247.12500	1.2
249.13953	1.5
261.13846	1.7
263.11719	1.0
273.13965	2.2
274.71832	1.1
286.13681	1.1
287.15463	1.1
288.15497	1.6
298.13666	1.1
314.16592	2.6
332.17801	1.2
336.14587	1.2
338.16541	2.9
340.18039	1.9
349.14716	1.1
350.16611	1.6
351.16595	1.3
352.17841	1.6
362.16129	1.3
363.17303	1.2
364.17252	1.6
365.17673	2.8
366.19348	1.8
368.17496	1.4
375.16873	1.7
376.17877	2.6
377.18057	4.6
378.19290	1.6
379.19241	6.1
390.19116	2.0
391.19550	5.2
392.20178	4.2
393.17114	3.6
393.21436	2.0
394.17691	2.4
394.22214	1.5
395.18185	1.4
395.22760	1.4
405.16428	1.9
405.20905	4.0
406.18115	1.4
407.18555	4.4
407.22559	4.4
408.19446	3.8
409.20251	6.5
417.16895	2.0
418.17685	1.3
419.18753	3.1
420.19107	1.6
421.19730	6.9
422.21646	4.4
423.21899	22.3
424.22018	1.5
425.20938	1.2
426.21844	1.7
431.18777	1.3
432.19498	1.3
433.20331	2.0
434.21338	3.2
435.22125	10.4
436.23105	5.0
437.24036	5.9
442.21283	1.4
446.21091	2.7
447.22375	2.0
449.18549	1.8
449.23520	3.7
450.24451	2.5
451.21091	6.6
454.19952	6.4
461.23874	7.5
462.20676	1.5
463.21408	4.4
464.22220	1.9
465.23489	5.0
466.22992	1.6
467.25381	5.4
468.24948	3.3
477.23050	8.3
478.23352	3.5
479.25070	7.7
480.23178	1.2
481.22269	3.8
491.20511	1.4
493.21500	8.3
494.26013	5.6
495.23740	16.1
496.24701	4.5
504.23117	1.4
505.22272	1.6
507.23746	2.3
508.24854	17.8
509.25775	12.9
510.26474	12.0
511.27365	12.7
519.23785	1.3
521.26086	5.3
522.25964	3.2
523.23328	3.1
525.28485	2.7
526.29083	2.7
537.25067	20.5
538.25885	12.7
539.26392	1.7
545.38226	1.8
549.24371	2.0
551.22638	2.0
553.28564	10.4
555.26044	3.3
565.24701	4.9
566.24829	3.2
570.28723	4.8
581.27655	25.1
582.25916	1.7
583.25476	6.7
595.29205	1.8
596.27673	1.8
597.27136	58.7
598.27710	9.5
607.25299	2.6
613.30255	74.3
614.30280	2.3
625.26575	100.0
626.26886	6.2
639.27338	1.1
657.29535	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	657.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29240	0.5
55.27085	0.5
59.46909	0.5
63.85516	0.5
65.03947	1.5
67.05492	0.9
69.52945	2.0
69.53358	1.8
71.05019	0.6
79.05508	1.7
81.03422	0.8
81.05815	0.9
82.06593	0.9
92.05016	0.8
93.07029	0.5
94.06573	4.5
95.54441	0.5
96.08128	2.2
99.48920	0.5
106.06569	4.4
108.04491	1.6
108.08118	0.9
110.06097	0.7
116.05010	2.1
118.06561	0.7
120.04495	3.5
120.08077	0.6
122.06052	1.7
124.07603	7.2
128.18166	0.5
132.04521	1.2
134.06023	6.8
136.07578	1.6
138.05531	2.0
144.04433	3.6
144.08066	0.8
146.06007	5.4
148.07585	1.0
150.05539	0.8
152.07082	18.5
160.03963	3.4
162.05554	2.4
163.03973	1.0
165.09140	1.0
169.07611	0.6
170.09709	0.9
172.03938	13.3
172.07607	0.9
174.05547	1.4
176.07025	1.3
180.06602	6.9
180.08047	1.2
182.09683	1.1
183.09296	1.1
184.09998	1.8
185.07117	0.9
185.10802	0.8
189.64333	0.6
190.04993	12.0
194.08299	0.8
195.09210	0.9
196.07651	0.8
196.10027	2.3
197.10753	5.1
198.09334	1.0
198.11520	0.8
199.08733	1.3
199.12360	2.4
204.06584	19.9
207.09206	1.2
209.10727	3.8
210.07896	1.8
210.09489	1.0
210.11465	1.3
211.08675	4.0
211.12407	1.1
212.09370	3.0
213.10258	3.7
215.11940	0.7
222.07924	1.8
223.08801	1.7
224.09401	2.9
225.06754	0.9
225.10226	13.1
226.10977	1.5
227.11812	14.8
235.08658	1.0
236.09557	2.9
237.10252	9.3
238.11017	2.4
239.08176	0.8
239.11826	6.3
241.09647	4.2
241.13443	1.5
243.11327	1.0
249.10159	2.6
250.07393	0.9
251.08109	1.8
251.11879	2.1
252.08897	3.3
253.09718	8.2
259.10898	1.1
263.08212	1.2
264.08963	5.3
265.09753	10.5
266.10522	1.9
267.11310	7.4
269.12872	21.9
271.10800	16.3
277.09766	2.3
278.07635	0.6
278.10510	0.8
279.11383	2.2
281.09299	1.2
283.10706	7.5
284.11499	3.2
285.12390	5.1
286.13391	1.2
287.10361	12.9
287.13980	10.4
288.11371	0.7
289.13101	0.7
291.11563	0.6
293.09314	4.4
293.12454	0.8
294.10071	1.7
295.10788	3.7
297.12366	6.6
298.10724	0.7
299.14197	1.0
300.11890	1.1
301.12625	1.1
302.12894	2.9
305.09222	0.8
310.14545	0.6
311.10214	4.1
312.15152	1.2
313.11838	8.7
314.13043	3.2
315.13724	1.8
316.11093	1.0
316.14490	3.2
317.15295	1.4
319.11029	0.7
321.08777	0.8
321.12338	1.4
323.10281	9.2
323.13895	0.9
326.12961	0.9
326.16687	1.3
327.14050	0.8
328.10864	4.9
328.14545	2.5
329.11737	2.0
329.15341	1.3
330.12442	2.7
330.16113	1.9
331.16913	1.3
339.09781	13.4
339.13489	1.3
340.10620	1.0
340.14511	1.3
341.11423	4.0
341.15219	0.6
342.12369	8.5
342.16071	1.0
343.13098	4.1
343.16733	0.6
344.14072	1.9
352.14774	0.9
354.12396	1.2
354.16336	1.2
355.13437	2.3
356.13953	6.2
356.17694	0.7
357.10895	4.6
357.14865	1.7
358.15521	4.5
365.11389	2.5
368.13828	1.0
370.11917	0.8
370.15628	5.4
371.12726	2.1
372.17365	1.1
376.16757	1.4
378.18228	1.3
380.13971	1.0
382.11642	3.6
383.12537	1.3
384.13123	3.2
385.14117	1.6
386.15030	3.5
386.19254	0.9
388.12836	0.7
390.18216	2.7
394.15778	0.9
398.15060	14.6
399.15823	14.4
400.16724	1.9
401.13525	1.1
402.14410	1.3
404.16132	6.9
412.16614	2.3
414.18246	3.8
415.19223	0.7
416.16107	19.2
417.16803	2.3
418.17825	1.0
421.16162	0.7
422.17422	2.6
428.16010	2.9
430.17578	1.7
440.16141	7.1
446.17188	13.2
456.15771	1.3
458.17126	22.7
459.17532	1.3
478.20178	0.7
490.20230	1.1
511.23526	0.7
551.23041	1.4
553.24268	2.0
555.22296	1.1
557.23938	1.3
563.23016	0.9
566.21637	0.6
579.22540	2.3
581.23834	7.4
583.21912	15.8
584.22156	0.8
589.20618	0.7
597.23480	3.3
607.21997	11.7
608.21906	0.7
625.22955	100.0
626.23218	5.4
639.23853	1.0
657.25275	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	657.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.7
66.40401	1.0
67.05497	3.4
69.03448	1.2
71.59216	1.4
77.23035	1.1
79.05508	2.3
81.03429	2.0
81.07053	1.9
82.06580	1.3
87.59599	1.1
89.03940	2.7
91.05452	2.9
92.05014	1.3
93.07053	1.3
94.06586	6.3
95.04947	3.1
96.08127	4.7
105.23260	1.2
106.06563	7.0
107.04964	2.3
107.08620	1.7
108.04491	3.1
108.08099	2.8
110.09642	1.3
111.04468	2.1
116.04987	3.3
117.07038	1.3
119.08585	1.9
120.04433	6.2
122.06055	2.2
123.04431	4.1
124.07616	10.7
124.98809	1.2
134.06001	7.7
135.04410	4.2
136.07588	2.5
137.02330	2.0
138.05513	3.7
139.03943	1.5
144.04466	4.8
145.02827	1.4
146.06056	9.1
147.04404	1.6
149.09682	1.3
152.07066	23.0
157.10181	1.8
160.03944	2.7
162.05492	2.0
163.03902	12.6
164.04257	4.6
165.09143	2.2
166.08685	1.7
167.07265	1.8
167.08617	1.3
172.03941	17.4
172.07510	1.4
174.05504	2.0
176.07069	1.6
180.06548	10.9
181.05037	1.9
182.09814	1.7
183.09187	1.4
184.09892	2.7
190.05046	16.0
195.09338	1.9
197.10710	4.3
199.12326	2.7
204.06578	24.6
209.10687	3.2
210.09302	2.2
211.08717	3.4
212.09406	2.8
213.10246	5.5
216.11014	1.3
222.07864	2.0
223.08714	1.6
224.09456	4.1
225.10239	14.6
226.11150	1.5
227.11804	23.0
235.08702	2.0
236.09502	2.2
237.10246	9.0
238.10875	3.1
239.11743	8.1
241.09926	5.9
241.13269	2.0
243.11325	2.2
249.05479	2.0
249.10326	3.7
251.11873	3.8
252.09117	3.2
253.09735	7.3
255.11363	1.5
259.10791	1.3
263.08206	2.4
263.11823	2.1
264.08948	4.2
265.09698	11.1
266.10602	1.6
267.11279	6.6
268.07098	3.1
269.07739	1.5
269.12897	27.1
271.10718	14.0
277.09811	3.0
279.11206	3.3
280.06610	1.4
283.10788	8.4
284.11426	2.5
285.12415	6.6
287.10291	15.3
287.13937	13.9
291.11337	1.5
292.06860	1.5
293.09464	5.8
295.05997	2.7
295.10861	4.3
296.06531	2.7
297.06952	1.9
297.12262	6.1
298.07715	2.4
300.11874	1.4
301.12207	1.5
302.13004	1.7
305.09402	1.7
311.10141	5.6
312.15039	2.1
313.11716	10.7
314.12878	2.7
316.14474	3.4
320.06311	1.4
323.10233	8.7
325.13010	2.1
328.10770	3.4
328.14206	2.2
329.11591	3.2
330.12454	2.2
330.15958	2.9
331.13205	1.8
331.16806	3.2
339.09879	21.3
339.13715	2.2
340.10788	1.6
340.14624	2.0
341.11758	6.4
342.12421	8.6
342.15918	1.6
343.13080	5.2
344.13696	2.2
353.12164	1.4
354.12491	2.1
355.13318	3.7
356.14008	5.7
357.10751	6.4
357.14578	2.4
358.15311	5.1
365.11337	4.0
368.51382	1.3
370.15692	6.3
371.12360	2.2
372.17230	1.8
378.18054	2.2
382.11960	3.3
383.12634	3.3
384.13461	4.7
385.14502	2.2
386.14633	3.0
386.19028	2.7
388.16666	1.8
390.18256	2.9
397.15292	1.6
398.14993	19.2
399.15915	12.6
400.16760	3.0
404.16125	6.8
412.16440	4.5
414.18207	4.2
416.16092	14.7
417.16797	2.2
422.16870	2.9
428.16058	4.4
429.08688	1.6
430.17630	2.2
440.16132	8.6
441.14777	2.0
446.17209	14.9
458.10486	2.7
458.17072	27.9
459.09839	2.6
459.16531	1.2
504.17743	2.5
519.11768	1.6
534.18787	4.9
536.19995	2.7
553.24225	3.5
557.23560	1.9
563.22430	1.8
579.22382	4.6
581.23969	9.2
583.21985	16.0
597.22845	5.0
607.21967	13.1
608.20465	2.0
625.22931	100.0
626.23090	5.2
627.12799	1.7
640.22693	8.7
657.14148	1.3
657.25226	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	657.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.5
71.02860	0.8
91.05478	1.5
107.04937	1.6
111.04437	0.7
115.05510	0.5
116.04968	0.5
119.04951	1.1
136.07582	1.5
141.03340	1.5
144.04443	2.4
145.42671	0.5
162.05505	6.7
163.04030	0.6
191.07011	4.0
201.05383	45.1
202.05879	0.9
202.70749	0.5
205.06398	0.6
220.05194	6.2
224.08354	0.6
226.04851	0.9
235.07552	20.4
237.05455	1.8
237.09206	1.0
248.04692	6.3
249.05484	1.7
251.07196	0.7
252.07845	1.0
263.07050	26.3
264.07745	1.6
265.04980	6.2
265.08151	2.6
270.11493	0.8
280.07288	10.7
282.08875	2.3
291.06595	6.7
295.09659	2.1
297.11191	1.6
299.09329	0.9
301.07346	0.9
308.06705	3.1
313.10776	5.2
323.09143	100.0
324.09323	1.5
324.12427	1.5
327.08401	1.0
344.09256	1.5
352.11633	1.7
353.05197	0.5
362.10275	6.7
369.10037	0.9
429.69006	0.6
458.16025	21.3
459.16196	1.2
462.16467	0.5
486.15500	44.7
487.15619	1.6
504.16550	2.9
621.22107	2.6
639.23254	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	656.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
55.01871	5.3
55.05508	10.6
57.03422	2.8
65.92065	2.1
67.05509	14.0
69.03436	17.8
69.07070	27.3
69.44432	6.0
69.44855	16.5
71.04984	6.9
73.06557	4.2
74.36533	2.3
79.05069	2.4
79.05501	35.8
81.03422	13.8
81.07051	17.1
83.04988	71.8
83.08614	2.5
85.02899	8.4
85.06538	7.6
85.92983	2.3
88.76667	2.2
90.43675	2.6
91.05488	30.0
93.07041	26.8
95.04989	19.2
95.08631	12.5
97.02895	6.0
97.06532	54.6
99.04445	15.9
103.05453	3.3
105.06380	4.5
105.07039	57.5
107.04974	17.0
107.08585	19.2
109.02859	5.8
109.06506	24.1
109.10202	3.1
111.04446	5.9
111.08060	3.2
113.05984	3.6
115.05505	3.2
117.07048	16.2
119.04965	11.5
119.08598	19.2
120.08097	5.1
121.06518	47.3
121.10148	8.3
122.06044	3.9
123.04420	5.2
123.08079	3.5
125.06001	79.4
127.03939	5.0
128.06238	4.5
129.07008	10.2
130.07788	8.5
131.04913	3.4
131.08569	29.4
133.06506	14.7
133.10149	7.2
135.04454	11.5
135.08052	9.1
135.11668	7.1
136.07582	3.2
137.05981	14.3
137.64091	2.4
138.23729	2.9
139.07510	7.9
140.59816	2.0
141.06996	5.2
142.07762	4.2
143.07037	58.0
143.08565	10.2
144.09364	5.0
145.06451	13.3
145.10121	100.0
147.04428	5.7
147.08080	9.2
147.11713	4.9
148.07538	4.8
149.05959	5.3
149.09616	6.5
149.73276	2.1
150.82843	2.2
151.07536	12.8
154.07831	5.9
155.08565	8.2
157.08655	4.7
157.10112	7.7
158.07208	11.0
159.08099	15.0
159.11702	43.9
161.09625	5.9
161.13232	3.3
163.03917	8.9
163.07585	8.0
163.11205	39.7
165.09129	10.6
169.08908	2.6
169.10110	14.0
171.08089	8.8
171.11728	2.5
172.03900	5.7
172.08823	4.5
173.06020	3.7
173.09637	65.6
177.12787	17.0
179.08551	6.7
181.12228	4.0
185.09619	5.8
187.07561	4.5
187.11197	60.3
189.12732	3.8
191.10701	35.8
197.09631	17.0
199.11186	5.3
204.06618	6.6
205.08934	2.3
205.12239	50.8
209.11681	19.3
211.11221	4.2
213.09035	3.2
215.10684	74.5
219.10144	3.1
227.12794	16.1
229.08488	2.7
233.09497	4.8
233.11734	72.6
244.09691	3.5
245.11717	3.2
251.12793	55.8
257.11737	6.3
263.12784	3.7
269.14026	8.0
271.06052	2.6
275.12820	6.3
279.12213	11.2
293.14102	4.0
299.12787	5.3
313.14407	3.2
317.13785	3.6
341.14047	5.0
359.14886	8.7
373.13724	3.0
377.16095	12.0
395.17032	13.1
411.11948	3.1
413.17886	24.4
580.22748	4.3
612.08038	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	656.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35593	1.9
53.03940	3.5
55.01868	5.1
55.05515	8.9
57.03429	2.2
65.03958	2.5
67.05508	13.4
69.03448	16.8
69.06728	3.1
69.07076	33.8
70.06586	2.4
71.05000	9.5
71.59451	2.0
73.06561	3.5
79.05507	24.1
81.03428	15.2
81.07072	22.2
83.04995	69.6
85.02912	4.6
85.06549	7.9
91.05484	27.2
93.07056	31.8
95.04969	19.4
95.08610	9.0
97.02890	7.9
97.06542	57.9
99.04448	16.4
103.05463	2.3
105.07044	66.2
107.04962	15.4
107.08610	22.3
109.02888	8.0
109.06529	25.5
109.10097	3.0
111.04445	6.1
111.08111	5.0
113.06011	2.7
115.05482	4.0
116.05108	2.1
117.07047	15.2
119.04952	9.1
119.08583	16.5
120.08098	5.9
121.06517	48.1
121.10140	4.1
122.06010	3.7
123.04449	3.6
123.08099	3.1
125.06004	98.1
127.03980	4.8
128.06226	5.5
129.07025	8.1
130.07780	3.4
131.04877	2.5
131.08595	26.6
133.06531	10.6
133.10112	7.2
135.04398	10.7
135.08047	9.1
135.11717	8.0
136.07616	3.9
137.05994	16.3
139.07567	5.5
140.20953	2.3
141.06995	4.1
142.07764	3.1
143.07050	65.6
143.08597	12.6
144.09346	5.6
145.06505	16.1
145.10138	100.0
147.04433	4.8
147.08055	7.4
147.11700	4.8
149.06009	4.1
149.09607	5.1
151.07565	14.5
154.07779	4.0
155.08572	8.0
155.19072	1.9
157.06645	2.7
157.08623	6.0
157.10135	5.5
158.07259	11.2
159.08090	16.8
159.11720	40.3
161.05991	3.0
161.09639	3.7
163.03891	9.8
163.07544	6.7
163.11200	37.8
165.09132	12.3
167.07169	3.4
167.08601	2.9
169.10109	18.0
171.08112	5.4
171.11685	6.7
172.03975	4.5
172.08850	4.3
173.09641	84.5
175.11023	3.2
177.09200	3.1
177.12769	17.2
179.07082	2.7
179.08554	5.9
181.04991	2.6
181.12187	3.8
182.07335	3.9
183.08165	4.2
183.11685	3.2
185.09636	3.3
187.11208	69.7
189.09175	3.9
189.12773	6.8
191.07019	2.5
191.10692	38.5
197.08128	3.1
197.09663	16.4
199.07611	3.7
199.11258	4.9
201.09122	6.5
203.07010	3.0
204.06577	6.2
205.12256	59.8
209.11710	18.4
211.11136	4.1
213.09000	3.1
215.10690	79.0
217.12096	2.8
223.13205	2.3
225.12735	2.0
227.10748	3.8
227.12828	22.4
229.12141	2.4
231.10155	2.6
233.11743	85.9
243.10162	2.8
244.09685	3.2
247.13261	2.8
249.11258	4.2
251.12819	62.8
252.13083	2.6
257.11758	5.1
263.12878	4.1
265.09955	2.5
269.11505	2.8
269.13992	7.6
271.06012	2.7
275.12802	8.6
279.12479	10.1
289.14554	2.5
299.12891	4.4
317.13928	4.4
323.12857	4.9
335.14877	3.0
341.13889	4.2
359.15018	12.2
377.15979	15.2
395.17273	13.4
411.11844	5.0
413.18051	22.5
559.62231	2.2
624.21185	3.0
657.26495	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	656.328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02192	1.7
50.30954	1.7
51.41796	1.5
53.03928	2.9
55.01872	3.5
55.05507	6.6
57.17800	1.6
58.32737	1.7
65.03926	2.0
67.05498	8.6
69.03439	16.1
69.07072	23.5
70.06586	3.4
71.01330	1.7
71.04980	5.8
71.58929	2.5
73.06535	2.2
79.05494	18.6
81.03426	12.4
81.07062	11.4
83.04987	57.4
85.02900	5.2
85.06535	5.5
86.06059	7.3
89.03903	2.4
91.05488	17.8
93.07050	19.3
95.04983	12.9
95.08606	7.5
97.02878	3.6
97.06534	52.0
99.04467	14.8
101.06007	1.9
105.07037	63.1
105.07748	3.2
107.04964	7.9
107.08583	20.1
109.02879	5.4
109.06538	19.0
111.04442	3.1
113.06075	2.4
115.05457	3.2
117.07002	11.0
119.04977	8.2
119.08592	14.7
121.06512	26.7
121.10149	4.0
123.04422	5.5
123.08134	2.2
125.06004	71.9
127.03911	6.6
127.07527	2.2
128.06261	2.6
129.07004	5.9
130.07771	5.4
131.04951	2.5
131.08575	22.7
133.06503	8.7
133.10129	7.2
135.04405	7.0
135.08025	2.8
135.11714	3.6
137.05991	6.3
139.07568	4.1
141.06943	2.9
143.07033	52.2
143.08525	8.1
144.09320	6.5
145.02864	2.7
145.06511	10.8
145.10127	100.0
146.10472	1.8
147.04411	4.1
147.08064	3.8
147.11682	6.8
149.05980	1.9
149.09642	3.0
151.07561	12.3
153.07001	2.6
154.07768	3.9
155.08574	6.0
157.08629	4.1
157.10059	2.5
158.07271	7.8
159.08098	8.2
159.11705	44.7
161.09557	2.7
163.03909	17.3
163.07515	2.5
163.11206	22.9
163.57359	1.9
164.04224	5.1
169.10123	10.9
171.11639	4.0
172.08847	6.7
173.09639	58.8
177.12759	12.8
179.08557	3.1
182.07274	1.7
185.09819	1.7
185.30235	1.7
187.11195	67.1
189.12791	3.7
191.10670	26.3
194.91457	1.7
197.09605	7.7
203.10654	1.8
205.12260	69.7
209.11667	10.3
215.08633	3.7
215.10692	75.7
223.13297	8.7
227.12785	3.3
233.11736	79.1
235.08020	1.7
244.09714	48.6
251.12816	40.0
269.13846	22.1
279.58649	2.0
359.14807	2.4
376.73221	1.9
377.15866	6.2
395.17114	8.6
403.13885	3.4
406.14749	1.7
413.17996	15.6
452.26001	2.2
600.18823	2.1
624.20966	2.2
656.25970	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	656.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
65.03954	1.2
67.05502	1.5
69.03421	1.1
69.07070	1.4
69.08326	0.8
71.10930	1.7
73.06545	0.9
79.05508	4.6
80.05019	0.8
83.04967	5.0
85.08531	0.9
89.03915	4.7
91.05479	3.5
92.05026	0.9
93.05769	1.0
93.07043	3.1
94.06577	7.5
95.04942	1.4
97.06516	3.4
99.04498	1.6
103.05466	2.0
105.05764	1.0
105.07040	3.4
106.06563	2.8
107.07319	1.5
108.08124	5.1
109.02884	0.9
116.04982	13.7
117.06997	1.1
118.06546	1.6
119.04942	0.8
120.04467	4.6
120.08112	17.6
121.06525	2.5
121.10167	0.9
122.05156	1.7
122.06039	32.2
124.07613	9.5
125.05975	5.9
131.08597	1.1
134.06003	1.3
136.07585	27.5
137.07843	0.8
138.05518	3.2
143.07047	6.2
143.08543	1.0
144.04445	21.5
145.10132	5.4
146.05994	4.2
147.04366	1.0
148.03932	2.0
148.07581	47.3
148.48741	1.0
150.05513	1.1
150.09152	1.0
152.07069	8.1
158.06087	1.4
159.11690	3.2
160.03938	1.6
162.05533	6.9
163.03946	1.9
164.07085	1.8
164.43301	0.9
166.05025	1.8
166.08650	3.2
169.10187	1.1
172.03940	93.1
173.04419	1.0
173.09604	5.5
174.05501	2.8
180.06546	2.8
180.10204	2.9
186.05563	4.4
187.11163	4.2
188.07098	1.8
190.04999	35.6
191.10631	2.1
196.09921	1.7
198.07591	6.7
198.11436	1.3
204.06567	100.0
205.07013	1.8
205.12259	3.8
206.09706	1.7
207.09201	2.9
208.09811	6.5
209.10617	1.2
210.07698	1.2
211.08644	1.9
211.12320	2.4
212.09343	1.8
213.10081	1.9
214.04865	1.0
214.10799	3.0
215.10777	4.3
221.10791	3.0
222.07916	1.5
222.11552	1.8
223.08824	2.1
223.12257	6.8
224.09312	1.3
225.10210	2.7
226.11005	2.5
227.08032	1.1
233.11728	3.7
234.09174	2.8
234.11472	1.1
235.08667	3.0
236.09450	8.3
237.10269	4.4
238.11012	2.0
239.08333	1.8
239.11858	1.3
241.09818	1.1
249.06651	1.2
249.10216	4.0
250.10922	4.1
251.08263	5.4
251.11711	11.6
252.08699	5.8
253.09766	4.0
254.10509	2.4
263.08249	2.0
264.08994	9.0
265.06921	1.5
265.09689	9.4
266.10571	1.9
267.07706	1.2
267.11301	2.5
268.08463	1.0
269.09244	1.4
278.07236	1.6
278.10608	4.4
279.07727	10.5
279.11310	33.2
280.08527	2.5
280.11792	1.3
281.09274	4.5
281.12903	2.3
282.10123	3.9
283.10806	3.1
292.08408	6.0
293.09167	9.5
294.09927	4.9
295.10736	1.9
296.11557	1.3
297.09030	1.6
297.12314	14.7
299.10117	2.1
306.09918	1.1
307.10770	34.6
309.12350	8.4
310.09512	2.0
311.10178	2.5
311.13879	2.2
313.11841	3.4
314.12912	1.2
320.08017	2.5
321.08768	2.6
323.10309	2.1
324.11017	1.5
325.11810	16.6
326.12692	1.6
327.13568	1.3
329.11526	1.1
329.15198	1.1
335.10315	4.6
338.08887	9.7
339.09695	1.4
339.13388	13.6
341.11304	15.8
343.13074	1.6
353.11340	33.5
354.11816	2.2
356.13699	0.9
357.10529	1.0
358.15442	1.5
359.12161	1.2
367.12790	5.7
370.11722	1.3
371.12454	1.3
372.13376	2.4
373.13861	7.6
383.12146	1.4
385.13956	12.1
386.14612	1.7
388.16629	1.1
393.10815	1.4
404.16269	1.3
411.11890	77.7
412.12564	2.6
413.18042	4.4
429.13028	5.1
430.13852	1.3
443.14597	6.3
460.18607	2.6
478.20178	1.4
488.18237	5.5
492.22174	1.1
504.20999	2.3
506.19244	4.8
507.19836	1.7
520.20868	7.0
538.22260	4.2
548.20313	21.9
549.20764	1.1
552.23077	1.4
564.19562	1.7
574.17755	1.6
580.22913	47.2
581.23163	2.6
592.10571	1.4
592.19318	22.2
596.22498	1.1
606.20496	1.1
624.21906	53.2
625.21436	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	656.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43829	0.9
65.03926	1.4
67.05493	2.1
68.86012	0.7
79.05482	3.4
80.01415	0.7
80.31350	0.8
82.33945	0.9
89.03925	2.1
91.05514	1.8
92.04993	1.1
93.07047	3.5
94.06575	7.4
95.04984	1.1
96.08128	1.6
98.21532	1.8
103.05478	3.9
103.78033	0.7
105.05759	1.1
106.06548	1.8
107.07339	0.9
108.08134	4.7
116.04990	11.9
118.06547	2.2
119.07313	1.4
120.04469	2.9
120.08112	20.6
122.05151	1.8
122.06038	33.3
124.07607	6.8
136.07585	26.4
138.05496	1.8
138.09152	1.3
144.04465	19.9
146.06070	4.0
148.07582	50.7
150.09186	1.2
152.07118	5.1
154.08595	0.8
160.03969	1.4
162.05534	7.1
163.03999	1.0
164.07057	1.9
164.10797	0.9
166.05057	0.8
166.08640	3.7
172.03949	87.2
173.04265	1.2
174.05544	1.7
176.07010	1.0
180.06561	2.0
180.10170	2.3
182.08234	1.3
186.05496	2.4
188.07114	0.9
190.05006	25.8
196.09984	1.1
198.07671	3.1
204.06578	100.0
207.09210	2.8
208.09799	5.4
209.10542	0.9
210.11456	1.1
211.08611	1.8
211.12253	1.9
212.09294	1.0
214.10736	5.2
221.10811	1.4
222.07887	1.5
222.11385	1.1
223.08690	3.3
223.12305	5.6
224.09319	2.3
225.10194	3.4
226.10982	1.9
227.08179	0.9
233.10841	1.0
234.09088	1.0
235.08714	3.0
236.09442	8.3
237.10228	8.3
238.11021	3.0
239.08153	1.7
239.11879	2.0
241.09818	2.1
248.09517	1.2
249.10303	4.2
250.07437	2.2
250.11005	2.7
251.08177	10.0
251.11812	8.0
252.08801	6.8
252.12186	0.8
253.09689	7.3
254.10480	1.9
255.11301	1.6
263.08145	2.0
264.08929	10.7
265.06680	1.5
265.09741	19.5
266.07144	0.8
266.10428	4.0
267.07776	1.1
267.11307	3.8
269.09183	1.5
271.10800	1.4
275.08109	1.0
277.09924	1.8
278.10526	5.6
279.07672	17.4
279.11288	25.2
280.08405	5.1
280.11368	1.1
281.09201	6.6
281.12854	2.5
282.09964	2.7
283.10785	2.4
285.08807	0.8
291.07727	1.1
291.11230	1.0
292.08453	7.9
293.05890	1.2
293.09195	20.2
294.09927	7.3
295.10773	3.4
296.11554	1.9
297.09116	1.9
297.12357	10.8
299.10284	3.1
301.11826	2.2
303.07626	1.3
305.05655	1.0
307.07205	1.4
307.10782	28.2
308.11322	1.3
309.12299	9.1
310.09421	3.7
311.10260	4.8
311.13455	1.3
312.11133	0.9
313.11847	4.0
320.08011	3.9
321.08640	2.3
323.10266	2.3
325.11813	13.7
326.12637	1.7
327.13586	1.1
329.11304	1.0
332.13953	1.0
335.10217	6.4
338.09030	17.1
339.09604	1.2
339.13385	16.6
341.11346	13.4
341.15149	1.5
343.13138	1.9
344.13879	1.3
352.10721	1.2
353.11340	44.8
354.12057	1.6
355.12930	1.5
356.13712	1.1
357.14874	1.0
358.15573	1.2
359.12305	0.9
367.13019	4.7
370.11801	1.0
371.12579	1.4
372.13135	1.5
373.13885	8.6
383.12589	2.2
385.13968	13.8
386.14987	1.8
400.16852	1.1
404.16116	1.5
411.11884	67.6
412.12317	2.2
429.12930	5.6
430.14157	1.0
430.23010	0.8
432.15137	1.2
443.14465	6.6
445.15900	1.2
446.16785	0.8
449.16489	1.0
460.18625	1.9
477.18726	0.8
478.19101	0.8
488.18176	7.3
504.21127	1.7
505.18350	1.0
506.19202	3.3
507.19769	1.4
520.20844	9.8
521.20734	1.4
530.19244	1.2
538.21979	6.9
548.20294	27.5
560.16278	1.0
562.21405	1.0
564.19659	1.2
574.17841	1.6
580.22913	51.1
581.23077	2.6
592.19348	22.9
606.20374	2.3
624.21912	56.3
625.22229	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	655.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.05517	20.0
57.06829	1.6
57.07085	24.6
64.96832	1.5
71.04999	4.5
75.38171	1.3
77.51375	1.3
78.40703	1.5
79.05492	2.6
83.04992	96.7
91.05489	6.9
95.04971	2.8
98.98482	6.4
105.07060	4.0
107.08591	1.9
108.21817	1.5
109.10201	2.0
115.05461	2.1
116.82193	1.7
118.54134	1.6
128.06255	7.6
129.07031	13.5
141.07016	3.5
145.06512	1.8
147.08058	9.2
147.11713	13.2
151.01608	2.3
159.08086	1.8
169.07637	1.6
169.19305	1.5
175.01575	51.4
181.02625	71.0
185.13368	1.7
187.01575	3.2
199.03723	2.1
218.31894	1.6
227.04712	27.4
231.07841	3.3
239.04707	3.4
257.05801	8.7
259.16959	2.2
283.10962	7.5
313.12003	49.3
331.13095	2.3
369.18292	24.2
369.64420	1.6
470.68268	2.1
487.12946	5.8
531.52911	1.7
543.19147	57.0
543.36316	1.9
544.19513	2.3
599.25378	100.0
600.25763	2.4
601.95068	1.8
618.29565	1.5
655.31586	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	655.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58384	0.5
67.05499	1.7
71.59289	0.7
74.45828	0.6
79.05502	1.1
81.07051	1.1
81.37283	0.7
91.05485	1.2
93.07068	1.5
95.04913	0.9
95.08620	0.9
107.08604	0.9
109.10201	0.8
133.10202	0.7
144.92982	0.6
163.03909	0.6
165.63864	0.7
229.15378	0.6
234.09676	0.6
279.75256	0.6
375.17038	0.6
389.17670	0.7
391.19177	0.7
392.20105	1.3
393.20792	0.7
403.19113	0.8
405.16800	1.1
407.22464	4.6
419.18787	2.6
420.19308	1.2
421.20267	1.5
432.19443	0.8
433.20596	4.4
434.21262	4.5
435.21942	9.8
436.22592	0.7
447.17923	1.6
447.22806	1.1
448.23456	0.8
449.19778	2.0
461.19373	1.6
462.20294	4.2
463.21286	4.9
475.21072	1.9
476.21960	1.2
477.22998	1.9
479.20950	0.8
489.22818	0.8
491.20840	0.7
493.22299	1.0
495.23874	0.9
506.23453	0.7
507.19827	0.9
508.24969	2.3
509.25516	2.6
521.25690	11.8
535.26550	0.7
549.25024	20.1
550.25690	0.9
553.24622	1.0
563.26636	2.9
577.24469	1.2
581.27802	3.5
595.29230	9.7
609.27173	13.0
623.28497	1.5
655.31299	100.0
656.31506	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	654.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.6
55.05521	10.8
57.03439	6.1
67.05511	9.4
68.48938	3.7
69.03427	6.8
69.07058	7.7
72.74273	4.2
74.73618	3.7
79.05512	13.3
81.03423	10.1
81.07060	19.1
83.04980	5.1
83.08630	5.6
84.77262	4.0
85.02911	13.7
87.06123	4.0
91.05488	12.8
93.07046	16.4
95.08623	37.7
95.85878	3.7
97.02879	10.9
97.06545	5.5
105.07050	12.7
107.04916	4.4
107.08603	28.5
107.69894	4.0
109.06571	5.5
109.10143	9.7
118.19778	4.3
119.08592	21.4
121.06515	6.3
121.10176	13.0
124.02210	4.0
125.09624	10.4
127.03924	8.6
129.05733	4.7
131.08574	8.4
133.10133	12.4
135.08057	39.2
135.11676	6.0
143.08504	6.3
145.10129	14.7
147.08018	9.1
147.11734	7.8
149.09631	5.7
157.10129	7.8
159.11687	12.4
161.09648	14.6
163.03955	8.7
163.11421	5.6
171.11710	8.8
172.03914	5.1
173.09616	9.2
173.13255	10.6
175.11238	3.9
175.14775	5.3
201.12770	14.1
203.14354	58.0
203.18033	7.2
204.06607	4.6
213.16313	5.5
215.14346	8.7
217.15984	8.9
219.13861	23.3
222.48605	4.2
227.12721	4.4
231.17545	6.0
283.15515	5.5
359.94891	6.1
386.78256	4.3
403.30072	8.1
421.30981	58.8
439.32001	57.6
457.33185	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	655.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56796	2.5
52.77754	2.2
63.17676	2.4
70.89513	4.6
70.89859	3.8
76.24484	2.6
111.45842	2.7
160.10062	2.7
195.11684	2.7
237.13957	3.6
247.77574	3.0
272.78644	3.5
286.10553	2.7
432.19330	3.5
447.22375	5.9
475.21198	18.0
476.22263	6.9
477.23099	3.0
521.22125	3.4
535.23102	9.2
549.24072	3.3
563.26282	8.6
579.25531	3.2
594.27802	5.6
595.25317	4.8
605.22784	3.2
609.27325	4.6
622.27930	100.0
622.38171	6.1
623.25549	9.3
637.26111	6.2
638.27106	5.5
655.27411	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	654.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.7
55.01867	7.5
57.03434	2.8
60.04518	5.5
61.02927	4.5
68.99792	3.1
69.03429	23.0
70.06601	3.0
71.04996	5.5
73.02895	5.2
76.88866	1.8
79.05497	4.9
81.03420	31.7
81.07051	2.1
85.02905	55.5
87.00835	20.2
91.04003	2.4
91.05484	6.6
93.07040	3.6
94.04181	2.9
94.06538	1.5
95.04967	3.4
95.08618	2.2
97.02892	27.4
99.04431	9.7
103.05475	4.2
105.01861	14.1
105.07021	3.7
107.04942	10.1
107.77858	1.6
108.04475	4.5
109.02879	26.1
109.06493	2.9
111.04439	2.6
115.05453	10.6
116.10729	1.7
117.01846	5.3
117.07014	12.2
119.04975	1.8
119.08520	2.7
121.02899	2.0
122.03642	5.0
123.04491	3.4
126.05531	2.6
127.03924	42.3
127.57127	1.6
129.01851	3.8
129.07001	7.5
131.04939	4.8
131.08556	3.3
133.10138	2.1
136.07585	2.5
137.05978	89.6
141.07051	2.5
143.04941	7.2
144.05693	3.6
145.02809	2.9
145.04977	16.8
145.06490	26.4
147.04431	7.1
149.05986	2.0
151.03905	2.1
153.05444	2.1
155.06001	4.1
155.07104	2.6
156.05716	6.0
157.06488	6.9
159.02924	11.7
159.08049	6.3
160.05209	14.9
161.06007	6.4
163.03873	10.0
163.07558	4.1
167.07053	39.4
172.05240	4.9
173.05991	45.8
174.06667	2.0
175.07552	100.0
177.05501	7.3
177.20403	2.0
181.04997	2.8
183.06607	2.5
183.36263	1.8
187.07555	47.8
189.09047	8.1
190.06261	19.3
196.77840	2.0
201.09106	1.8
202.06223	3.0
203.07040	5.7
205.08600	89.2
217.08594	43.1
219.10146	5.8
221.09698	2.7
231.05031	5.9
233.09634	3.8
235.07750	2.0
235.09660	53.1
241.08653	4.0
244.99289	1.8
247.09634	8.8
248.07788	2.3
249.09094	3.0
250.29370	1.8
251.06905	1.8
261.09171	5.3
262.09744	2.2
263.07028	2.4
265.10712	37.1
277.08517	2.5
278.09323	3.4
281.11816	1.8
285.07608	6.8
293.11725	4.3
300.09982	9.5
301.10706	6.1
309.11172	6.0
313.10559	2.4
321.11252	9.4
341.13895	8.4
342.06766	1.6
353.13843	21.5
355.15726	2.6
371.14883	39.1
372.15082	2.2
496.27747	1.7
540.20587	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	654.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25836	2.0
55.01870	3.3
65.78391	2.0
67.05508	4.2
69.03436	3.1
70.06605	4.6
71.97595	1.9
74.75809	1.6
79.05480	6.3
80.05005	2.2
81.07082	3.7
85.02945	2.3
91.05494	6.3
93.07057	12.5
94.06592	12.1
95.04968	4.6
95.08643	3.8
95.18786	2.0
97.02916	2.1
103.05488	8.1
105.04535	1.8
105.05815	4.2
105.07040	3.5
107.08563	3.6
108.08153	18.9
109.02911	2.0
109.10159	4.1
117.07024	2.3
118.06560	3.0
119.07325	3.0
119.08577	4.6
120.04484	4.5
120.08115	41.5
122.06040	72.5
122.09639	2.1
131.04956	1.9
132.08089	2.4
133.10089	2.5
135.04436	2.4
136.07593	52.9
137.05952	2.8
138.05525	4.9
138.09140	3.2
145.02859	2.2
145.10150	1.9
147.04424	6.2
148.07588	82.4
150.09128	2.6
152.07095	3.3
160.07491	1.8
162.05453	2.1
163.03931	12.5
166.05002	3.9
166.08662	5.5
176.07089	2.5
177.05482	2.6
188.32803	1.8
192.06694	4.6
194.34109	1.9
197.10855	2.7
202.05043	5.1
207.09103	2.5
208.09848	7.1
209.10811	17.9
212.09372	5.4
220.09875	2.3
221.10751	7.7
222.07770	1.9
222.11467	2.8
223.08614	3.5
223.12280	5.2
224.09525	2.6
225.10280	7.0
233.10799	2.4
234.07738	6.8
235.08685	22.5
236.07407	3.1
236.09444	15.6
237.10245	20.4
239.08113	2.5
239.11746	2.5
248.09483	3.0
249.10268	60.9
250.11026	15.2
251.08205	6.9
251.11806	20.7
252.08711	20.2
253.09770	10.9
255.07785	2.9
255.11426	2.6
257.54401	2.1
261.10309	7.3
263.08209	20.9
263.10989	2.9
264.08981	11.7
265.09750	22.6
266.10382	3.2
267.07520	2.3
267.11240	7.8
269.09280	3.7
269.86554	1.9
275.08249	2.8
277.09750	55.6
277.12418	2.0
278.10464	15.0
279.07919	5.9
279.11267	47.2
281.09183	9.2
282.10059	3.4
283.10886	2.0
284.11847	2.2
291.07831	9.5
291.10944	2.8
292.08521	7.2
293.09076	5.1
295.10873	12.9
298.09637	2.8
304.08517	3.0
305.09250	44.7
306.09753	3.6
307.10812	48.2
309.08832	17.7
309.12079	3.8
311.10260	8.6
311.13675	2.6
323.10269	33.9
327.13419	2.8
333.08780	21.4
337.11716	7.1
341.11264	3.5
343.13046	3.0
347.10233	5.1
351.09802	100.0
352.10294	2.3
355.12918	13.5
365.11432	14.5
368.09750	2.1
370.11627	4.5
371.12424	31.5
383.12415	66.1
386.14905	2.1
388.16458	2.3
393.31625	3.4
416.16013	2.5
442.17514	4.5
458.17126	9.9
462.20120	4.2
486.16617	68.1
487.16760	3.5
490.19806	13.7
504.17554	3.5
506.85309	1.9
506.93347	2.1
518.12030	1.3
518.19202	38.1
536.20398	5.4
546.18976	9.6
548.16711	3.2
550.21448	3.1
562.17877	2.8
572.16675	3.2
578.21191	14.5
590.17914	18.7
594.20819	2.8
622.20331	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32534	1.7
55.01876	1.9
55.05506	9.3
65.03926	2.6
67.05508	18.6
69.03423	5.8
69.07069	10.5
71.55770	1.8
71.60114	3.2
79.05497	11.3
81.03436	4.6
81.07069	22.7
83.05007	2.3
83.08611	4.5
85.02929	2.6
85.06586	2.4
91.05486	14.5
93.07046	18.7
95.04986	4.7
95.08047	3.0
95.08620	42.6
97.02886	4.5
97.06551	6.1
99.04457	2.5
99.08118	2.7
105.07030	20.1
106.05059	3.8
107.04951	3.2
107.08596	22.8
109.06535	8.0
109.10167	48.1
111.04423	3.3
111.08089	5.0
111.11725	2.1
115.05361	1.6
117.03355	2.9
117.07037	6.5
119.04939	3.2
119.08596	31.3
121.02928	1.9
121.06518	7.6
121.10159	18.1
123.04440	15.8
123.08123	5.4
123.11714	6.9
127.03915	3.5
129.07028	4.5
131.04944	5.8
131.08554	13.2
133.10126	16.5
135.04446	9.2
135.08072	11.7
135.11716	5.4
136.07594	2.4
137.02341	2.1
137.06001	3.8
137.09619	5.5
137.13292	3.6
139.03925	4.2
141.06970	2.8
143.08562	9.3
145.02867	3.4
145.06589	2.7
145.10114	20.5
147.04405	12.4
147.08078	8.4
147.10707	2.4
147.11691	13.6
149.09651	3.8
149.13312	4.3
151.11237	2.7
153.07030	2.0
154.17319	2.0
155.08600	2.7
156.09351	3.1
157.10103	12.4
158.10823	2.5
159.08107	8.4
159.11688	17.1
161.09639	7.7
161.13287	12.9
163.03931	16.9
163.11334	4.1
165.07065	3.8
165.09140	5.5
167.10765	2.8
169.10178	8.8
170.10873	1.8
171.08072	5.5
171.11707	14.6
173.09618	9.1
173.13263	11.7
175.03944	2.1
175.11182	5.6
175.14844	4.7
177.05537	2.7
177.12788	2.4
181.10139	3.9
183.11684	7.6
185.09732	3.0
185.13249	10.8
187.11243	6.0
187.14815	12.2
189.12723	9.3
189.16399	2.0
191.10730	3.4
191.14198	2.5
193.06454	2.1
193.10321	2.6
193.12257	2.4
195.11745	3.9
197.13268	7.7
199.11281	4.9
199.14876	5.2
201.12779	4.5
201.16335	5.7
203.14343	15.1
205.06534	3.9
207.11829	3.0
209.13330	4.9
211.14873	5.8
213.12750	3.5
213.16473	3.1
215.14337	12.5
217.15929	6.4
219.13811	1.9
221.05992	3.9
221.15376	2.5
223.07608	2.2
223.14877	4.7
225.16434	3.3
227.14229	2.6
227.17938	2.9
229.16032	4.4
231.13742	2.2
239.07051	2.5
241.19566	2.0
243.17496	3.4
245.15466	2.6
247.17035	4.3
249.05435	4.5
249.18576	2.3
250.06219	2.2
255.06674	2.9
267.06555	5.5
267.17792	2.9
268.07468	2.7
269.19009	3.3
271.06146	3.5
277.05020	2.1
283.20554	2.9
285.18570	2.2
287.20105	3.0
295.06082	8.0
309.18521	4.1
311.05655	2.9
313.07236	3.7
327.19604	3.5
336.57239	2.1
341.06625	2.3
353.24634	2.1
369.05832	2.3
369.28265	3.2
377.28436	5.4
385.23572	2.8
389.28488	4.3
393.28043	3.6
395.29227	2.7
401.28320	8.9
407.29584	4.0
413.30511	2.0
419.29425	21.6
437.30594	31.7
455.31604	100.0
456.32407	2.9
473.32663	38.9
491.09677	8.5
589.12866	2.3
607.12317	2.3
653.12665	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	653.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01864	1.9
55.05516	3.3
56.04324	1.2
57.03408	2.6
57.07067	1.5
59.61951	1.3
65.03931	2.6
67.05494	5.8
69.03418	7.8
69.07056	4.0
69.57236	9.8
71.04984	1.8
79.05487	7.7
81.03407	4.4
81.07065	11.1
83.04988	2.7
83.08645	1.5
85.02903	15.2
89.03917	8.1
90.04253	1.9
91.05489	16.1
91.46180	1.4
93.07043	17.1
93.81125	1.4
93.81772	1.3
95.04971	4.6
95.08600	12.6
97.02885	5.7
97.06536	10.6
98.21619	1.3
99.08099	3.3
103.05463	5.8
105.07031	13.9
107.04947	2.8
107.08601	25.8
109.02896	4.9
109.06516	4.1
109.10157	10.8
111.08069	2.6
117.03384	21.8
117.07059	3.6
118.03717	5.3
119.04969	4.6
119.08590	20.9
121.06510	25.1
121.10143	12.8
122.06042	1.7
122.06847	6.5
123.04427	5.4
123.08085	1.5
123.11668	4.1
125.05961	2.3
125.09657	7.8
127.03898	2.3
128.71150	1.4
131.04919	5.8
131.08575	8.9
133.02908	1.5
133.06471	5.0
133.10139	13.8
135.04399	4.8
135.08034	6.9
135.11703	6.7
137.02332	1.9
137.05971	2.7
137.09628	2.3
142.07730	1.6
143.08562	6.1
145.02849	59.4
145.06435	2.4
145.10132	12.6
146.03180	21.6
146.06032	2.3
147.04405	10.6
147.08063	3.6
147.11681	8.4
149.05991	10.8
149.09622	2.3
149.13257	3.4
150.06415	1.8
151.07544	1.9
151.11180	2.9
155.08594	1.6
156.09357	2.5
157.10129	8.7
159.08037	5.7
159.11679	12.3
161.05968	2.9
161.09654	5.8
161.13257	4.7
163.03896	6.3
163.07504	1.9
167.07043	12.5
169.10074	3.1
171.08104	1.8
171.11696	8.6
173.09602	7.5
173.13268	9.3
175.11230	9.2
175.14806	3.2
177.05481	100.0
177.12787	3.1
178.05807	44.9
183.11728	4.4
185.09613	1.5
185.13243	4.1
186.05481	2.4
186.10411	4.2
187.11176	8.7
187.14848	6.1
189.12753	6.6
189.16344	3.5
190.07719	1.9
191.06984	7.1
191.14291	2.3
195.08113	2.0
195.11761	1.8
197.13268	3.1
199.07507	5.1
199.11163	26.1
199.14969	3.2
201.12785	14.7
201.16426	4.6
202.07652	2.7
203.08585	3.5
203.14308	6.7
205.12375	1.5
205.15852	3.5
211.14833	2.4
211.86821	1.6
213.12753	3.0
213.16367	4.8
215.08546	2.6
215.14218	3.7
217.12244	6.0
217.15755	1.7
218.07262	1.9
219.08020	2.7
219.13837	5.3
219.17427	2.6
221.05940	2.2
227.14365	1.6
231.07928	2.4
231.17432	2.2
232.08899	1.8
233.09595	5.7
233.13216	1.4
233.19017	2.7
235.07498	1.7
235.13213	3.5
241.15909	3.2
249.09335	1.8
260.08200	1.9
261.09317	3.9
263.07031	1.9
265.08884	2.8
267.11407	1.9
269.18924	1.5
273.08432	1.4
275.06921	2.2
276.07874	5.8
279.07162	1.6
279.10709	1.3
281.08771	1.4
288.07858	1.6
289.08536	9.1
290.09244	3.7
291.10345	2.9
293.08267	1.9
295.05988	3.1
304.07141	1.7
305.08322	1.8
314.13837	36.6
315.14230	43.0
319.09583	10.6
320.10406	3.8
321.11218	13.4
322.10184	1.6
323.12802	8.0
326.12479	1.5
339.13370	2.9
351.12222	18.9
353.13916	7.2
355.12854	2.5
363.23380	2.6
377.28516	3.2
395.29443	9.4
401.28217	2.8
419.29410	20.1
437.30521	53.3
438.30890	2.5
455.31592	45.9
473.32440	15.0
560.19318	1.9
561.30225	2.6
578.21149	4.8
604.19080	7.4
622.20209	16.1
635.37909	11.5
653.12170	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	653.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37848	1.1
55.05508	1.9
67.05525	3.1
67.38721	1.3
69.07066	1.8
69.33501	2.2
69.33906	9.9
71.66403	1.1
78.51588	1.4
79.05499	4.8
81.07062	5.4
91.05492	3.6
93.07059	5.1
95.04957	1.9
95.08605	2.3
105.07026	3.8
107.08598	1.3
119.08617	1.9
121.10196	1.8
133.10164	1.6
145.99225	1.1
147.11710	2.9
183.09097	1.4
184.30865	1.2
187.44208	1.2
209.10966	1.5
231.43256	1.1
239.39467	1.2
273.85474	1.4
354.91412	1.2
389.17404	2.7
403.19540	3.2
404.20016	4.8
405.20886	14.8
417.20956	1.8
418.21933	1.6
419.22421	10.8
420.23343	2.7
421.24188	1.4
431.22818	2.2
432.23239	1.7
433.23907	8.9
434.24417	2.2
445.20291	2.0
447.21439	5.7
449.19803	5.6
450.20966	2.0
459.22165	1.4
461.24017	1.6
463.21240	8.9
464.22260	3.4
465.22781	3.0
475.21005	2.7
477.22794	6.4
478.24054	3.4
479.24518	39.6
480.25006	2.3
487.21359	6.8
491.24414	2.1
493.26443	1.7
501.23163	7.2
502.23450	2.3
505.26254	2.3
507.27658	23.4
519.24414	6.0
533.25458	5.2
537.25037	11.1
541.39252	9.3
551.26648	36.8
561.25299	7.3
565.28210	21.2
566.28937	87.8
567.29559	3.2
575.26544	4.6
593.27692	11.7
603.25696	2.2
621.26886	15.9
625.29712	2.1
635.28406	9.1
653.29742	100.0
654.30157	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	653.39
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62379	1.2
51.02381	1.3
55.01848	1.1
55.05520	3.0
57.03418	1.8
65.03947	2.5
67.05515	5.8
67.15730	1.0
67.29017	1.2
69.03419	5.6
69.07077	3.6
70.30042	0.9
71.04995	1.2
71.58668	1.0
71.66298	1.0
79.05486	6.7
81.03429	6.0
81.07071	10.8
83.04984	2.8
83.08627	2.2
85.02910	12.5
89.03926	7.5
90.04269	1.3
91.05488	11.0
92.05786	1.2
93.07049	14.4
95.04993	3.3
95.08619	10.3
97.02905	3.6
97.06522	8.2
99.04485	1.5
99.08103	2.1
101.80902	0.9
103.05467	5.4
104.05817	1.2
105.07035	13.6
106.45716	1.0
107.04958	3.0
107.08606	19.9
109.02887	2.2
109.06510	3.2
109.10176	8.1
111.08077	2.2
115.05463	1.4
117.03395	21.2
117.07024	3.1
118.03712	6.4
118.06542	1.3
119.04973	3.9
119.08586	13.5
121.06519	32.1
121.10152	9.0
122.06095	1.6
122.06830	6.4
123.04430	3.4
123.08092	2.0
123.11732	4.7
125.09668	11.3
127.03906	3.3
128.06229	1.4
129.07043	2.7
131.04924	4.8
131.08577	6.8
133.02911	1.4
133.06491	4.0
133.10139	11.8
135.04427	3.0
135.08080	3.7
135.11711	4.0
137.05966	2.0
137.09612	2.3
143.08569	3.5
145.02859	59.3
145.06544	2.6
145.10141	10.9
146.03197	19.4
146.05991	3.0
147.04424	10.1
147.08051	3.7
147.11714	6.4
148.07582	1.3
149.05966	10.8
149.09715	1.6
149.13260	2.3
150.06339	2.1
151.07574	1.7
151.11224	2.1
155.08588	1.4
156.09372	2.3
157.10129	6.8
159.08090	3.2
159.11710	12.0
161.05963	1.9
161.09634	3.9
161.13284	2.6
163.03896	6.4
163.07562	1.2
163.11172	1.3
164.07114	1.4
165.09149	1.5
167.07062	8.0
169.10104	1.1
171.11681	6.2
173.09650	5.0
173.13300	6.9
175.07610	1.5
175.11203	7.6
175.14861	3.4
177.05486	100.0
177.12769	1.6
178.05823	39.6
181.10080	1.2
183.11720	4.4
185.09621	2.5
185.13251	2.8
186.05510	1.8
186.10417	1.6
187.11205	4.3
187.14864	3.8
189.09106	1.1
189.12733	4.3
189.16486	2.2
190.07855	1.3
191.07051	4.8
195.11911	1.2
197.09673	1.8
197.13315	1.6
199.07600	3.3
199.11177	19.6
199.14867	3.0
201.12761	11.8
201.16457	4.2
203.08678	1.8
203.10663	1.5
203.14355	5.7
203.18047	1.3
205.06525	1.1
205.15918	2.5
211.14896	2.4
213.12807	1.2
213.16399	2.9
215.14342	1.8
215.17995	2.1
217.12263	3.5
218.07310	2.0
219.07976	2.1
219.13823	4.3
219.17436	2.0
221.06079	1.5
225.12827	1.2
227.14366	1.4
229.15865	1.6
231.17455	1.9
232.08945	1.5
233.09663	2.6
233.19119	1.7
235.13333	2.9
237.10365	1.8
237.16418	1.4
241.15950	1.6
246.06708	2.0
247.07669	1.8
248.08401	1.4
249.09842	1.6
251.11902	1.4
253.09842	1.4
253.15921	1.3
261.09055	2.5
265.08975	1.7
267.11292	1.9
276.07870	4.1
277.08652	1.3
279.11255	2.1
283.10767	2.0
288.07977	1.3
289.08609	5.6
290.09357	2.2
291.10413	1.5
293.08218	1.2
293.12006	1.4
295.06107	1.5
295.10507	1.6
305.08218	1.7
307.10315	1.9
311.10199	2.8
311.19388	1.0
314.13867	31.3
315.14236	33.9
316.14423	2.0
319.09677	7.2
320.10373	2.4
321.11453	7.2
322.10211	1.1
323.13065	5.4
325.21527	1.3
326.12625	1.2
335.10419	1.5
339.13669	5.6
351.12357	12.9
352.12988	1.4
353.13824	4.0
354.12216	2.6
355.12991	1.3
363.22870	1.4
367.12927	2.7
377.28461	1.8
395.29657	6.3
398.14584	1.5
401.28308	1.4
407.29370	1.8
419.29474	18.0
425.30331	1.9
437.30600	39.4
438.30881	2.5
455.25220	2.4
455.31586	40.5
473.32419	12.1
491.09836	1.4
500.18713	1.4
518.19745	1.4
528.17542	3.6
532.20306	2.0
560.20148	3.4
561.30548	2.3
572.16632	1.2
578.20764	5.5
604.19238	7.4
622.20404	17.6
635.37769	10.0
661.58508	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	653.2971
Annotation	Haplophytine
Peak:m/z	Relative Intensity
52.41354	1.0
55.05517	0.9
60.26671	0.9
66.33748	0.9
67.05501	1.4
69.84860	0.8
70.65243	3.3
73.33472	0.8
78.45605	0.8
81.07073	1.2
90.01376	0.8
95.08571	0.8
100.88656	0.9
129.42244	0.9
142.43935	0.9
227.12909	0.9
377.17685	3.1
389.18478	2.0
390.18430	2.4
391.19113	6.0
392.19952	2.1
403.19516	1.0
404.20273	1.1
405.20728	10.3
406.21625	7.9
419.22595	4.5
420.23077	6.5
421.23849	11.9
433.20261	3.6
433.25015	1.5
434.24643	1.7
435.18250	1.8
436.19116	2.7
445.20462	1.9
447.21814	2.6
449.19705	2.1
450.20609	2.4
451.21225	1.7
452.22330	3.4
460.22583	2.6
464.21808	1.1
465.22891	45.1
466.23340	1.7
473.19919	2.8
477.26901	1.0
479.24426	9.8
480.25269	3.4
487.21136	2.5
488.22131	6.5
491.20190	2.1
492.21674	2.0
501.23080	1.3
503.24420	51.3
504.24915	2.5
507.27719	3.6
533.25867	1.9
535.27069	44.9
536.27075	1.9
551.26337	6.5
561.25159	3.9
566.28839	1.4
579.26007	44.2
580.26385	1.7
593.27869	1.9
594.28363	18.4
596.45471	1.0
620.55334	1.0
621.27039	24.6
653.29663	100.0
654.30060	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	653.1351
Annotation	Luteolin 3'-methyl ether 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
55.01868	0.2
62.35729	0.2
62.58880	0.2
67.05450	0.2
68.99800	0.2
70.06593	0.3
70.52120	0.4
71.01365	0.4
71.08786	0.2
73.02923	0.3
80.78674	0.2
85.02914	1.3
86.09657	0.2
91.05465	0.2
97.02877	0.2
116.45756	0.2
127.03914	0.2
131.03394	0.3
141.01805	0.7
144.37318	0.2
153.01834	0.9
159.02855	0.3
163.03908	0.5
229.05070	0.3
257.04779	0.2
258.05264	13.0
274.14923	0.2
286.04733	36.0
287.05502	3.9
301.07074	100.0
302.07468	1.7
304.55594	0.2
341.42709	0.2
373.31876	0.2
477.10321	3.9
588.33087	0.2
653.13446	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	653.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03951	1.1
55.05502	0.6
57.03460	0.4
67.05505	0.9
69.03442	2.6
69.07079	0.5
69.52604	1.0
69.53002	2.4
77.03943	0.4
79.05494	1.5
81.03425	4.7
81.07069	1.0
83.04999	0.5
85.02916	3.4
89.03925	3.8
90.04781	0.4
91.05482	1.3
91.63716	0.4
93.07047	1.2
95.04967	1.5
95.08600	1.0
97.02912	3.4
98.20747	0.9
99.04465	0.5
103.05478	28.3
105.07017	0.7
107.04948	1.0
107.08583	1.4
109.02894	1.4
109.10150	1.3
111.04461	1.2
117.03400	3.4
119.08556	1.6
121.10136	1.7
122.10508	0.4
123.04427	1.1
123.43081	0.4
127.03905	1.5
128.20845	0.4
131.04942	100.0
132.05264	1.1
133.10146	1.2
135.04428	10.4
139.03931	1.6
145.02872	4.7
145.10120	0.5
147.04424	0.6
149.06004	7.5
149.09555	0.5
163.03926	44.8
164.04250	0.4
173.13292	1.1
175.11179	0.5
181.04994	1.2
189.12810	1.1
214.53221	0.4
217.12277	1.1
221.06151	0.4
223.07666	0.5
224.95152	0.5
256.91510	0.4
275.09189	3.5
293.10275	4.8
295.06039	0.5
418.10986	0.5
448.09708	0.4
455.31796	0.5
473.32645	5.6
474.32944	4.2
654.24036	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	653.2606
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
56.99343	2.5
69.07101	3.9
69.91425	6.9
69.91844	9.6
70.37828	2.9
93.46870	2.9
98.21049	6.5
103.30727	2.8
184.07338	4.0
190.84755	3.3
201.77226	3.1
209.98357	3.4
238.45619	2.9
240.23715	2.9
249.00803	3.1
249.61189	3.0
340.14783	3.5
357.44373	3.2
377.17542	7.4
378.18616	4.6
391.19101	13.5
392.19901	6.7
393.20807	7.3
403.19879	3.0
405.20868	9.9
407.22452	15.7
419.22839	3.9
421.20309	8.4
435.22040	14.6
437.19562	4.2
447.21875	7.1
461.23328	3.7
462.24142	4.0
465.19431	9.6
466.19821	4.9
479.20847	23.6
489.22977	5.6
501.19278	8.1
505.18997	4.8
506.18692	3.7
515.20752	6.4
516.21490	4.2
517.22565	32.2
521.25452	5.9
537.25323	4.5
542.79547	3.2
549.24951	42.7
551.22949	10.6
565.24316	6.6
566.25269	27.6
575.22504	10.4
593.23907	18.1
607.25677	8.4
609.26575	7.1
625.25580	3.7
635.25067	100.0
636.25409	5.9
653.26135	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.45732	0.8
55.36682	0.9
67.05483	2.7
68.99804	0.8
69.03416	1.3
69.07056	1.4
70.11270	1.4
70.11620	3.5
79.05510	5.2
79.05904	0.8
81.03428	5.1
81.07063	67.5
85.02893	3.5
87.00829	2.0
91.05490	10.2
93.07018	1.7
95.08602	9.3
97.02914	4.2
98.20744	0.9
99.04488	4.1
109.02876	4.8
109.10140	1.2
110.75944	0.9
119.04095	1.1
119.04951	18.3
119.71222	0.8
127.03076	1.1
127.03928	14.8
135.07994	1.4
136.60643	0.8
137.13260	12.5
145.04996	1.5
147.04419	100.0
148.07590	1.0
203.14433	1.6
213.03937	2.8
231.04909	4.4
317.05203	1.4
421.30942	1.7
426.71408	0.8
455.44250	0.8
463.08646	0.9
481.09860	29.4
620.22137	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	652.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67164	0.7
53.03947	0.7
54.86970	0.6
65.03931	0.8
67.05503	2.5
69.03433	0.9
71.59937	1.2
79.05495	2.9
81.03399	1.0
81.07052	1.7
85.02897	1.3
88.07155	0.7
91.05484	2.7
93.07046	2.8
94.06573	2.9
95.04947	0.9
95.08640	0.9
103.05474	1.3
104.87296	0.7
105.07041	0.8
107.04958	0.8
107.08617	1.3
108.08125	3.6
109.06499	0.8
109.10154	2.4
117.05798	1.5
118.06552	5.4
119.07336	1.2
119.71855	0.7
119.75168	0.8
120.04469	2.8
120.07333	1.4
120.08121	14.0
121.10130	0.8
122.06039	9.1
124.07554	0.8
129.07074	1.0
130.06572	1.8
131.07327	1.7
132.04355	0.9
132.08104	6.0
133.10127	1.1
134.06052	1.5
136.07591	6.8
138.09151	1.1
142.06516	0.8
144.08063	2.2
145.05141	1.3
145.07590	1.3
145.10121	1.0
146.06039	7.1
147.04405	0.9
147.06790	1.5
148.07588	22.0
149.06108	0.7
150.05539	4.2
150.09186	1.4
152.07039	2.5
156.08104	1.9
158.06017	1.6
158.09694	0.8
159.06804	1.9
160.03944	2.9
160.07578	6.7
162.05476	0.9
162.09155	1.9
164.07118	3.6
164.10741	2.1
166.08603	3.9
168.08073	1.3
169.07698	1.3
170.06001	1.8
170.08417	1.8
170.09706	1.8
172.07591	3.3
173.07196	0.8
173.10773	0.9
174.05521	1.8
174.07837	1.4
174.09203	1.8
176.07057	0.9
176.10707	1.3
178.04922	0.9
178.08636	1.0
180.10208	2.5
183.09193	1.7
184.07597	1.5
185.04666	0.8
185.07108	2.0
185.10748	2.1
186.05493	5.0
186.09171	0.9
187.06264	2.8
188.07036	4.4
190.05016	1.8
190.08708	1.1
192.06583	3.0
194.08124	1.2
196.07700	1.1
196.09779	1.7
197.10826	0.9
198.05431	1.6
198.07845	4.1
199.08652	3.0
200.07135	1.8
201.10284	1.3
202.07013	0.9
202.08794	6.6
204.06566	2.2
206.08185	3.2
209.10654	1.3
211.08702	2.4
212.07184	1.6
212.09404	2.6
213.06656	0.9
213.10236	5.5
216.06589	1.0
218.04515	1.6
218.08188	2.9
220.09740	3.7
221.10654	1.3
222.07986	0.9
223.08687	5.0
223.12350	2.5
224.07188	1.5
224.09465	2.3
225.06668	1.5
225.10210	6.5
226.07315	4.2
226.10847	0.8
227.08115	2.3
227.11674	1.1
230.08240	1.5
231.07718	1.5
232.06067	1.5
233.06859	2.5
233.10681	1.4
234.07492	1.2
234.11333	1.6
235.08652	1.9
236.09407	1.5
237.10245	10.3
238.10963	2.1
239.08147	3.9
239.11803	3.4
240.08954	2.6
241.09726	11.6
242.08122	0.9
243.07617	1.1
246.07739	1.4
247.08609	2.1
248.09229	26.4
249.10175	8.7
250.07228	1.1
250.11024	3.9
251.08208	5.6
251.11821	7.1
252.12712	1.1
253.09816	6.5
253.13586	1.0
255.07613	2.0
255.11426	1.2
257.09174	1.5
258.07611	1.0
259.10843	2.0
260.05902	0.9
260.09222	1.0
261.10239	4.1
262.11060	0.9
263.08365	1.6
263.11844	5.5
264.08908	1.0
264.12619	1.0
265.09732	10.9
266.10318	3.0
267.07690	2.6
267.11276	6.2
268.08383	1.3
268.11609	0.9
269.09216	5.8
269.12540	1.1
271.07065	1.2
271.10809	2.1
272.07922	2.6
274.07141	2.3
275.07956	2.7
276.08734	4.1
277.05978	2.1
277.09741	4.0
278.06616	8.8
278.10214	4.3
279.07675	7.2
279.11282	13.3
280.08719	1.2
280.11819	18.9
281.09256	3.1
281.12823	2.7
283.10770	7.6
283.13834	0.9
283.15125	1.1
285.08722	3.2
287.10303	9.0
289.09766	10.5
291.11389	3.9
292.08347	1.4
293.09128	6.0
293.12863	4.4
294.06891	0.9
294.09915	5.1
295.10709	5.3
296.11572	3.4
297.08765	1.2
297.12268	1.2
299.10300	1.1
301.11942	1.5
306.09772	18.1
307.07233	1.2
307.10727	3.7
308.11554	1.9
309.08942	1.3
309.12283	4.2
310.13065	1.1
311.10245	8.7
311.13895	1.9
312.11066	3.6
312.14658	0.9
313.11850	2.0
314.12863	1.6
315.13864	0.9
317.09241	1.8
321.12323	1.5
323.06760	1.1
323.10272	1.8
323.13855	1.7
324.11063	2.3
325.11838	1.2
326.12668	5.2
327.13541	5.9
335.10263	12.6
338.09146	1.0
339.13440	50.0
340.10577	3.6
340.14157	1.8
342.12354	1.7
343.12976	2.7
344.13754	1.4
349.11905	1.4
352.10837	2.2
353.11530	1.5
354.12265	6.5
354.16071	1.4
355.12991	13.6
355.17184	1.0
356.13968	1.5
367.12994	28.1
368.13907	2.2
369.11093	1.6
370.11591	1.8
371.12827	0.9
372.17212	1.2
379.10580	1.1
381.10886	1.7
382.11935	2.0
383.12555	1.0
384.13452	2.4
386.14719	1.9
387.15469	1.1
388.17056	1.1
395.12576	1.3
396.13501	4.4
397.14117	1.2
398.11069	1.3
400.12189	1.0
400.16800	1.0
412.12836	2.2
414.14368	1.6
424.12915	2.0
428.12344	2.5
440.12231	1.2
441.13028	1.8
442.17905	1.5
444.15201	1.3
456.15390	3.0
468.12250	1.0
469.12860	1.3
470.17245	4.7
472.14801	1.7
474.20093	2.9
484.14966	3.4
486.12610	1.1
488.18042	2.8
498.16373	1.1
502.19354	4.7
516.17999	3.8
520.20886	2.0
526.16058	2.7
530.19263	0.9
544.16913	5.8
548.20374	2.1
558.18146	0.9
560.20490	1.2
566.21259	1.1
576.19788	27.0
577.20380	1.4
588.19745	10.5
592.22858	8.5
602.17303	1.3
608.22430	53.6
609.22937	1.9
620.22504	100.0
621.23041	3.9
652.21417	50.3
653.22253	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	652.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.1
60.04508	0.4
62.06083	0.2
63.02390	0.8
67.05494	0.4
69.03413	0.7
69.44703	1.6
70.09632	0.2
73.59895	0.2
76.21512	0.2
77.03917	0.4
78.04733	0.3
79.05499	0.3
81.03429	2.0
81.07040	0.5
85.02917	1.0
85.11280	0.2
89.03402	0.4
89.03926	5.6
91.05491	3.1
93.07053	4.6
95.04977	1.0
95.08617	0.2
97.06601	0.2
103.05482	2.8
105.04507	0.3
106.04144	0.4
107.08583	0.3
109.02882	0.6
116.06830	0.2
117.03390	19.1
119.04948	0.2
121.06516	21.4
123.04467	0.2
131.04871	0.3
131.08665	0.2
134.03645	1.1
135.04439	1.7
136.05202	0.3
137.05989	0.4
145.02856	52.5
146.03212	0.8
147.04407	0.8
148.04782	0.3
149.04784	0.3
149.05988	6.4
150.63879	0.2
154.08635	0.3
162.03120	0.6
163.03947	1.2
172.09790	0.3
177.05481	100.0
178.05743	1.2
186.05498	0.9
194.08174	0.7
195.06581	0.6
215.74341	0.3
238.86879	0.2
314.13876	42.4
315.14212	1.3
321.09723	2.9
339.10831	1.2
351.12482	0.3
369.06387	0.3
537.37073	0.2
580.37671	0.3
581.71637	0.3
598.39581	0.8
616.40717	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.4
54.52369	1.9
55.01871	5.7
55.05260	2.1
55.05515	28.2
57.03440	10.2
57.07054	2.0
59.04985	1.7
60.60077	1.7
65.03945	4.5
66.99088	2.1
67.05510	100.0
69.03435	20.5
69.07076	14.6
71.05014	10.5
71.38214	1.9
71.44309	1.9
79.05499	35.5
81.03423	54.3
81.07060	52.9
83.04985	18.3
83.08632	15.6
85.02905	6.3
85.06541	5.0
85.49953	1.9
87.04478	2.3
91.05482	34.6
91.06014	3.3
92.86293	1.8
93.07052	31.7
95.04974	8.0
95.08608	38.6
97.02901	16.3
97.06547	5.3
97.10156	15.5
99.04443	3.4
99.08140	2.0
105.07033	23.2
107.04973	5.1
107.08607	24.3
109.02890	5.6
109.06541	4.5
109.09452	3.9
109.10164	54.9
109.10916	2.9
111.04439	8.1
111.08096	5.2
113.06047	2.5
115.05457	3.0
117.06313	2.0
117.07024	11.9
119.08595	19.6
121.06483	3.2
121.10168	15.8
123.08091	3.1
123.11715	6.0
124.60688	1.8
125.09630	14.5
127.03914	9.1
128.06244	2.2
129.05472	7.2
129.07033	8.4
131.08582	16.7
133.06470	2.5
133.10107	13.0
133.30223	1.8
135.08073	3.7
135.11690	8.6
137.09624	4.6
137.13237	2.2
139.11200	3.0
141.07018	3.9
143.08554	9.4
145.06534	2.8
145.10136	12.0
147.08089	5.0
147.11668	9.5
149.09679	3.6
149.13274	5.3
151.11113	2.0
153.09152	2.0
155.08600	3.6
155.10692	2.4
157.10152	7.5
158.10695	2.0
159.08058	3.2
159.11711	8.5
161.09668	3.6
161.13286	5.2
163.11183	2.6
167.08519	2.8
169.10179	4.5
171.07932	1.9
171.11653	7.6
173.11737	14.8
173.13278	6.7
175.11162	3.5
175.14899	2.5
181.10141	2.5
185.09717	2.2
185.13284	4.0
188.37761	2.2
189.11208	13.0
189.16254	2.1
193.10114	2.2
197.13290	2.4
198.75375	1.7
199.11223	2.1
199.14848	4.6
212.04350	2.0
213.12788	2.1
221.13254	2.5
227.12799	17.5
229.14348	31.8
241.19373	2.4
245.13939	2.8
247.14847	2.1
259.20447	2.6
261.22189	2.7
263.23761	3.2
277.21719	2.5
299.14917	2.9
301.21628	3.9
303.23117	2.2
315.23154	1.8
335.25818	5.4
337.27356	11.3
341.24945	2.5
351.22900	4.3
369.24255	9.2
371.17126	5.5
373.18491	4.7
387.25250	6.9
405.26105	2.5
461.29202	2.5
479.30283	3.4
487.34335	2.2
489.35660	6.2
507.36526	2.5
585.37500	2.4
597.37384	4.9
615.38770	6.3
633.39807	18.3
651.40454	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	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14698	1.7
53.03942	9.0
55.01873	4.8
55.05263	2.2
55.05513	33.3
57.03447	12.1
57.07071	2.7
59.04987	3.1
61.06837	1.5
65.03941	5.0
67.05509	100.0
68.86508	1.6
69.03437	26.1
69.07069	19.2
70.06056	5.8
71.04990	8.8
73.02897	2.3
79.05496	39.6
81.03420	63.3
81.07061	66.2
83.04983	31.6
83.08629	17.4
85.02905	6.6
85.06548	5.1
91.05479	30.6
93.07043	39.4
95.04983	9.6
95.08612	42.5
97.02898	22.7
97.06528	5.2
97.10176	17.2
99.04446	5.1
99.08075	2.7
103.05487	3.1
105.04545	1.7
105.07043	20.6
107.04990	3.6
107.08611	27.7
109.02894	11.0
109.06515	4.6
109.10156	58.7
110.47529	1.7
111.04468	10.7
111.08120	3.4
113.05985	1.8
117.07030	14.2
119.08589	23.7
121.06497	4.3
121.10159	15.5
123.08083	3.1
123.11720	11.2
125.09663	14.5
127.03924	9.1
128.06221	3.0
129.05484	14.5
129.07016	8.0
131.08591	15.0
133.06496	5.0
133.10146	15.7
135.08073	6.8
135.11688	10.9
137.09642	4.2
137.13228	2.7
139.11118	1.9
141.06969	2.6
143.08553	6.4
145.06461	3.4
145.10158	12.8
147.11707	12.9
149.09633	3.0
149.13264	6.5
155.08542	3.4
155.10706	3.4
157.10136	6.5
159.11743	11.7
161.09676	2.5
161.13275	5.1
163.11147	3.1
163.14822	2.1
165.12741	1.8
167.08662	2.0
169.10199	4.3
171.10287	2.0
171.11687	8.0
173.11746	15.1
173.13281	5.6
175.14735	2.3
183.11789	5.1
185.09619	2.6
185.13240	4.5
187.14893	4.5
189.11259	15.0
189.12743	2.5
197.13414	3.1
197.82947	2.0
199.14890	2.3
209.13396	1.8
211.14844	2.3
215.14398	2.2
223.55341	1.8
227.12796	19.6
229.14366	23.3
233.00906	1.9
245.13850	4.4
259.20651	2.0
261.22183	7.6
263.23709	3.9
277.21695	2.5
299.15073	2.7
301.21756	4.3
315.23315	2.0
335.25842	16.6
337.27316	15.3
351.22931	4.0
369.24442	9.1
371.17093	7.5
371.25623	3.5
373.18582	4.8
387.25250	7.8
405.26752	2.7
461.29224	2.8
466.36838	2.2
479.29871	4.3
489.35696	6.5
507.36813	6.0
547.36005	1.8
597.37677	4.6
615.38629	4.9
619.25519	3.2
633.39813	19.8
634.39575	1.7
651.40723	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01874	4.9
55.05511	26.0
57.03430	8.9
57.07062	4.9
59.04999	2.8
65.03950	3.0
67.05510	100.0
69.03441	24.3
69.07071	8.4
69.90779	16.5
70.80099	2.7
71.04993	5.7
79.05502	25.5
81.03426	26.2
81.07055	53.5
82.99886	2.8
83.04980	10.6
83.08613	11.4
85.02897	6.1
86.09696	3.6
91.05480	31.2
93.07053	35.5
95.04955	7.2
95.08604	34.5
97.02900	9.3
97.06528	5.2
97.10170	11.2
99.04442	4.3
105.07056	22.3
107.04940	3.5
107.08601	23.1
109.02876	10.5
109.06494	7.3
109.10159	55.1
111.04395	4.5
111.08058	4.0
117.07021	9.3
119.08617	14.7
119.09337	3.0
121.10156	15.7
123.11715	6.9
125.09649	7.0
127.03910	5.5
129.05464	4.5
129.06996	8.3
131.08577	18.7
133.06497	6.4
133.10135	12.5
135.08087	4.2
135.11719	9.8
137.09578	5.1
139.11206	5.5
143.08557	11.3
145.10123	11.7
147.11678	12.9
149.13231	4.5
153.09076	3.6
155.10681	3.6
157.10135	5.4
159.11696	12.3
161.13239	5.3
169.10020	3.6
171.11725	6.4
173.09628	4.2
173.11763	25.8
173.13199	4.4
184.07399	6.4
185.13245	6.5
189.11295	7.0
190.77794	3.7
193.29367	3.1
197.13213	3.1
199.14902	4.5
227.12640	8.0
229.14348	35.8
261.22079	3.5
265.03436	2.9
289.21695	3.6
301.21579	5.8
303.23148	4.7
315.22940	3.2
335.25919	7.2
341.24915	4.1
345.24255	5.0
351.23038	5.7
369.24335	14.4
371.17010	5.5
373.18628	4.9
387.25290	4.7
391.93173	3.2
429.85800	3.8
458.25351	3.6
489.35779	7.0
597.37555	8.4
615.39221	7.3
633.40210	22.1
651.41278	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.0
55.01865	5.8
55.05515	30.3
57.03435	13.3
57.07072	3.2
59.05008	3.2
65.03935	2.8
65.78826	1.8
67.05510	100.0
69.03436	33.5
69.07074	15.9
69.40162	16.1
71.01344	2.1
71.04983	6.9
73.02919	2.3
79.05496	38.0
81.02979	3.9
81.03425	53.7
81.07062	62.6
83.04976	26.1
83.08620	14.4
85.02888	4.8
85.06529	3.9
91.04962	2.8
91.05482	32.7
93.07049	37.4
95.04977	9.4
95.08044	3.2
95.08611	42.1
97.02895	15.2
97.06538	5.2
97.10170	15.1
98.21559	3.9
99.04453	3.7
99.08096	2.6
105.07037	26.9
107.04929	4.8
107.08602	23.5
109.02879	11.0
109.06512	6.2
109.10164	52.8
111.04442	9.4
111.08070	2.9
117.07018	10.8
119.05008	2.8
119.08593	22.4
121.06495	3.3
121.10135	15.0
123.08074	4.0
123.11676	7.8
125.09665	13.0
127.03905	7.1
129.05461	8.5
129.07007	8.9
131.08571	18.7
133.10149	12.6
135.08012	4.6
135.11754	10.5
137.05994	2.1
137.09665	4.3
137.13228	2.2
141.07010	3.6
142.65016	1.9
143.08571	7.1
145.06560	2.7
145.10118	12.2
147.07973	3.4
147.11746	10.9
149.09619	4.9
149.13257	5.5
151.11250	2.3
153.09123	2.0
155.08521	4.7
155.10632	3.4
157.06470	2.2
157.10104	8.9
159.11714	9.6
161.09656	3.3
161.13258	7.5
163.11174	2.0
163.14775	2.7
165.28441	1.9
169.10181	5.2
171.08064	2.4
171.11755	5.2
173.11737	20.1
173.13301	8.0
175.11244	3.0
175.14844	2.6
181.10052	4.3
183.11667	5.1
184.07295	2.2
185.09622	2.4
185.13211	4.9
187.14847	3.1
189.11246	10.3
189.12772	2.4
195.11659	2.8
197.13171	2.7
199.14822	3.6
227.12732	13.6
229.14346	27.2
245.13803	2.8
259.20724	3.9
261.22168	7.2
263.23895	2.2
275.20276	1.8
277.21680	2.4
301.21524	5.9
303.23087	3.4
315.23129	3.0
319.22736	3.4
335.25665	5.8
337.27261	13.0
351.03726	2.2
351.23126	3.8
369.24161	9.9
371.16708	3.4
373.18649	3.5
379.56891	2.1
387.25317	7.6
405.26328	3.7
443.28027	2.1
455.93393	1.9
461.28726	5.7
479.29761	3.1
489.35605	7.3
507.36774	5.4
519.36420	2.1
597.37897	4.4
615.39117	4.2
633.39886	20.6
651.40314	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	650.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37250	0.3
53.92878	0.3
56.05027	0.9
58.06600	0.5
60.08166	6.6
67.05499	1.0
67.26648	0.3
69.50375	2.2
71.07378	3.3
77.99195	0.3
86.09711	32.0
98.98470	3.3
104.10751	1.8
104.53412	0.3
109.10155	0.6
125.00008	19.9
184.07352	100.0
185.07671	0.6
327.49203	0.4
650.43890	5.1
654.51123	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	651.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
55.05509	8.0
56.87642	0.9
57.07074	2.3
65.69579	0.9
67.05509	9.6
68.96331	0.9
69.03461	1.2
69.07076	11.4
69.39851	6.1
69.40258	1.4
79.05502	6.6
79.57097	0.9
81.03419	1.5
81.07068	16.5
83.04952	1.2
83.08619	13.0
89.03913	7.3
91.05478	11.1
93.07045	16.3
95.04958	2.4
95.08613	31.9
97.10157	1.7
98.21552	2.0
99.08087	2.5
105.07027	23.3
107.04957	1.9
107.08601	26.8
109.06528	3.3
109.10152	14.0
111.08163	1.1
111.11671	1.0
117.03372	8.5
117.07022	4.1
119.08586	41.5
121.10149	22.8
123.11722	8.5
125.09618	1.0
129.03026	0.9
129.06998	2.6
131.08578	13.7
131.46141	1.0
133.10129	20.9
135.04422	19.5
135.08092	1.5
135.11700	16.8
137.13271	3.0
141.06995	1.7
142.07738	1.3
143.08559	10.2
144.09299	1.2
144.66611	1.1
145.02838	12.1
145.06441	1.5
145.10132	22.7
147.11691	20.7
149.13248	8.5
151.07523	1.6
155.08572	3.3
156.09328	1.8
157.10135	7.8
158.10916	3.3
159.08025	1.2
159.11700	19.9
161.13245	10.3
163.03915	100.0
163.11163	1.1
163.14836	6.0
165.09023	1.1
168.09366	1.1
169.10124	5.0
170.10986	1.6
171.11703	8.4
173.13255	12.9
175.14839	16.4
177.09096	1.6
177.16409	8.9
179.10788	1.0
179.14262	2.1
181.04967	17.6
181.10052	1.7
181.12146	0.9
183.11664	4.5
185.13258	11.5
187.14851	17.8
189.16396	21.1
191.14290	1.2
191.17917	5.1
195.11761	2.1
197.13290	5.9
199.14842	15.5
201.12598	1.0
201.16397	26.3
203.14354	6.5
203.17992	8.4
205.15909	5.5
207.17343	4.8
209.13260	3.0
211.14839	7.7
213.16412	10.4
215.14395	2.0
215.17909	5.8
217.15942	2.3
217.19611	1.5
219.13863	1.9
219.17453	2.4
221.15385	2.7
223.14798	2.3
225.16391	1.8
227.18002	3.5
229.15918	1.2
229.19560	2.3
231.17453	3.5
233.15355	3.9
237.16504	1.9
239.17996	3.2
241.19586	2.7
243.21246	1.2
245.15474	5.6
247.16934	3.5
249.14746	5.3
251.18001	1.6
253.19559	3.8
255.21106	1.7
259.17038	6.6
259.19394	1.0
267.21124	3.0
273.18539	1.5
279.21161	1.0
281.22739	1.6
283.24161	1.7
285.18478	1.6
287.19968	1.2
293.22754	1.7
299.20135	2.7
325.21671	1.6
327.23230	2.8
347.27472	1.7
353.24597	2.5
363.30243	1.2
389.32053	10.1
391.33554	3.0
407.33157	19.5
409.31009	19.0
425.34137	3.1
427.31540	1.4
435.32651	34.5
453.33701	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	649.41
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
52.42839	0.5
53.03936	1.3
55.05519	4.2
57.07060	1.3
58.69787	0.6
63.02361	0.7
65.03931	1.0
67.05499	4.4
67.56772	0.5
69.07075	5.6
69.26608	1.0
69.27013	4.7
78.04705	0.5
79.05500	3.7
81.07063	11.5
83.08618	5.0
89.03922	8.0
90.91772	0.5
91.04990	0.6
91.05482	3.5
93.07056	8.4
95.04978	0.9
95.08612	18.8
97.10154	1.2
102.11688	0.6
102.36542	0.5
103.05501	0.9
105.07037	10.3
107.08601	14.3
109.10161	10.3
111.08142	0.5
117.03389	19.5
117.07001	1.4
119.08594	19.5
121.06461	0.7
121.09303	1.0
121.10156	15.3
121.11024	1.0
123.08041	0.6
123.11721	7.3
125.09647	0.7
131.08565	4.7
133.10144	11.9
134.02669	0.5
134.03587	2.4
135.04408	2.9
135.11711	7.2
137.13271	1.7
143.08572	3.0
145.02858	51.1
145.10124	8.4
146.63527	0.5
147.11702	10.7
149.05977	7.1
149.13278	7.3
153.09123	1.8
157.10118	2.1
159.11691	7.8
161.13275	6.0
162.03165	0.8
163.03918	3.0
163.07643	0.6
163.11269	0.7
163.14848	3.9
171.11687	1.8
173.09550	0.5
173.13252	4.7
175.14841	8.9
177.05482	100.0
177.16389	8.7
178.05836	1.4
183.11665	1.3
185.13284	2.0
186.05489	2.4
187.14847	2.6
189.16394	16.4
189.18098	0.9
191.17914	4.2
195.06549	31.1
197.13379	0.8
199.14886	0.9
201.16394	11.6
203.17964	18.9
205.15889	2.3
205.19588	1.3
207.17427	2.4
213.16434	2.9
215.17992	14.3
217.15851	0.5
217.19510	2.1
219.17320	0.8
221.19014	0.8
225.16525	0.5
229.15831	0.8
229.19574	1.1
235.16917	1.8
239.17924	0.9
241.19485	1.3
243.21083	2.2
247.16963	4.8
249.18497	1.7
253.19421	1.2
261.18509	6.6
267.21027	1.0
269.22638	1.2
275.20248	0.8
289.21527	0.6
301.21646	1.1
313.25116	0.9
327.23260	0.6
355.26288	1.1
365.32004	0.8
391.33615	4.7
394.28708	0.7
409.34637	5.7
411.32504	6.2
422.03009	0.5
425.94781	0.6
427.36151	0.7
437.34174	23.0
506.85315	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	649.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.05507	3.7
57.07052	1.9
67.05506	4.9
69.07069	4.9
70.14847	0.6
70.92392	1.0
70.92733	0.6
71.08640	0.7
79.05477	2.6
81.03430	0.8
81.07061	10.8
83.08614	4.8
88.57661	0.5
89.03915	7.1
91.05489	5.1
93.07040	8.8
95.04973	0.8
95.08609	18.0
97.10185	1.2
105.07043	10.3
107.08602	13.6
109.10159	9.5
111.08129	0.6
111.11729	0.7
117.03388	18.6
117.07009	1.5
119.08586	20.2
121.10140	11.1
123.11694	5.4
128.06169	0.5
129.07002	0.6
131.08562	2.7
131.85088	0.7
133.10138	13.0
134.03642	1.7
135.04433	1.9
135.11708	7.9
137.13266	2.4
138.39275	0.6
141.06969	0.6
143.08536	1.6
145.02850	47.8
145.10136	7.2
146.03186	0.7
147.11690	11.4
149.05980	8.3
149.13249	5.1
151.11273	0.7
153.09155	0.7
154.45570	0.6
155.08704	0.6
157.10139	1.2
158.10941	0.9
159.11690	7.9
160.12398	0.6
161.13280	6.7
163.03897	2.5
163.11134	0.7
163.14822	4.7
165.12770	1.0
165.16339	0.7
171.11659	1.2
173.13251	4.5
175.14842	10.2
177.05479	100.0
177.16374	9.4
178.05881	1.5
181.79164	0.5
183.11708	0.6
186.05511	1.4
187.14792	4.2
189.14755	1.2
189.16400	18.7
191.17931	3.0
193.15994	0.7
195.06540	33.8
196.06871	0.6
199.14841	2.1
201.16394	14.6
203.17955	21.8
205.15871	1.1
205.19579	0.8
207.17427	3.1
213.16402	5.3
215.17964	14.4
215.19897	1.2
217.19499	1.9
219.17361	0.9
221.15410	0.7
221.18970	0.7
225.16196	0.7
227.17949	1.3
229.19447	1.4
231.13902	0.7
231.17476	0.8
235.16943	2.5
239.17995	0.7
241.19563	1.8
243.21175	1.6
247.17024	2.8
249.18585	1.8
253.19495	1.3
255.21057	1.1
259.16946	1.2
261.18561	3.5
267.21066	1.4
269.22607	0.8
279.36255	0.6
281.22543	0.9
299.19952	0.8
300.27289	0.6
301.21600	0.7
329.24622	0.8
348.52280	0.6
373.26520	0.7
378.61929	0.7
391.33600	5.1
409.34698	7.0
411.32404	4.3
437.34183	20.1
457.31210	0.8
467.21552	0.7
649.42542	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	649.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.0
52.10272	1.9
52.10568	1.7
53.03954	13.7
54.08696	1.8
55.01864	8.0
55.05516	25.4
57.03445	10.2
58.85325	1.9
61.92580	1.8
65.03934	5.4
67.05167	3.8
67.05510	69.9
69.03430	19.0
69.07073	13.9
71.04999	6.2
71.38200	2.3
77.03925	2.3
79.05502	100.0
81.03427	40.9
81.07063	62.8
83.04984	22.1
83.08624	10.1
85.02906	11.4
85.06537	3.4
91.05489	89.5
93.06461	4.3
93.07051	86.3
95.04975	34.2
95.08612	37.8
97.02903	8.5
97.06549	11.3
97.10172	4.5
99.04468	3.8
103.05471	5.0
105.04507	5.1
105.07043	63.7
105.07761	3.1
107.04961	18.9
107.08601	30.7
109.02905	6.4
109.06514	9.2
109.10160	10.4
111.04475	2.6
111.08091	3.3
115.05460	7.3
117.07021	31.0
119.04907	3.1
119.07794	2.9
119.08592	39.0
120.81435	1.7
121.06501	8.3
121.10152	11.1
123.08089	9.9
126.95705	1.8
127.03907	8.8
128.06239	9.5
129.05515	3.3
129.07019	38.2
130.07727	2.6
131.04916	5.0
131.08568	22.6
133.06491	7.3
133.10141	17.9
135.04440	2.8
135.08078	3.3
135.11710	5.5
137.09662	1.9
141.06995	5.7
141.09120	2.2
142.07709	2.6
143.08582	23.3
145.06487	8.6
145.10139	21.4
147.04454	3.4
147.08041	10.0
147.11700	40.1
149.13312	2.1
151.07567	2.6
154.07741	2.3
155.08565	7.4
157.06488	4.4
157.10135	6.0
159.08051	5.9
159.11710	7.0
161.09644	8.8
161.13239	18.8
163.03912	6.5
163.11250	2.3
166.07813	2.1
167.08517	6.7
169.10124	5.1
171.08064	6.8
171.11707	46.0
173.04436	8.2
173.09552	3.0
173.13298	4.4
175.11095	2.3
179.14336	2.3
181.10100	6.7
183.08177	2.7
183.11703	2.9
185.09641	3.7
185.13335	3.1
187.11250	3.1
189.12767	17.1
197.13202	3.0
198.98592	2.1
199.14891	4.5
199.60213	2.0
201.12715	3.6
203.14369	2.2
205.16023	3.0
207.13809	37.2
207.78229	2.6
209.13249	3.0
213.12767	2.7
213.16331	3.1
215.07002	2.3
221.15381	3.3
223.14914	4.5
225.14757	4.2
227.14398	4.2
228.05132	1.9
231.14015	2.2
233.15329	3.0
241.15886	6.0
245.15178	2.8
251.14278	5.7
259.09598	2.0
259.17007	4.9
269.15320	11.6
279.16052	2.6
281.17502	56.3
287.16476	16.9
305.17493	2.8
309.17081	2.3
315.15582	2.6
333.17056	3.7
343.19131	3.0
351.17761	2.3
361.20068	4.2
425.21756	7.1
487.30539	39.1
501.31848	3.6
567.33130	7.2
613.33917	3.1
631.34595	5.9
649.35406	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	648.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13424	4.4
53.03949	7.9
55.05512	34.9
57.03424	19.2
65.03907	4.9
67.05184	5.7
67.05513	90.0
69.07074	33.5
69.34895	44.8
79.05503	46.2
81.07061	80.8
83.08611	16.9
89.86431	5.1
91.05484	41.6
93.07053	58.5
95.04947	6.6
95.08620	67.2
97.06519	9.1
98.92148	4.8
105.07032	34.1
107.08620	31.7
109.10138	20.1
111.11642	4.9
117.07002	13.7
119.08602	32.4
121.10124	24.5
123.08042	5.1
123.11706	11.9
129.06979	6.8
131.08572	19.9
133.10126	27.5
135.11682	15.3
145.10110	14.3
147.11641	15.6
149.13289	7.7
159.11694	11.4
161.13185	12.1
173.13237	5.8
185.13333	6.3
187.14821	6.9
187.81905	5.5
197.13472	4.3
205.15964	7.8
259.20554	22.4
277.21622	15.0
309.97083	5.8
333.24292	9.5
337.27377	100.0
351.25262	29.3
366.18204	5.0
382.98611	5.8
438.07727	5.0
613.48541	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	648.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.3
60.04525	1.0
61.02924	1.8
61.21998	0.9
64.06253	0.9
69.03424	3.0
70.02953	3.7
70.06583	2.9
71.58002	1.4
73.57961	0.9
74.00666	8.5
76.04015	6.3
79.05496	0.9
81.03425	1.6
82.06577	0.9
83.06120	4.4
84.04513	12.8
85.02919	7.5
85.04037	18.8
86.09697	1.3
88.04020	1.5
91.05476	2.2
92.01716	5.8
93.03397	2.7
97.02883	3.0
99.05576	2.1
102.23410	0.9
103.05456	1.6
109.02881	1.4
109.07651	1.7
112.03968	10.6
113.03517	6.5
116.01706	1.2
116.03436	0.9
117.03391	1.3
119.04977	2.2
121.06525	1.0
123.02653	3.5
127.03962	1.3
128.07092	1.4
129.06625	6.2
130.05017	41.6
131.02823	1.0
131.04532	14.9
132.05746	1.6
133.01167	0.9
135.91020	0.9
145.03033	0.9
145.05057	1.7
145.06100	21.4
146.03644	13.1
147.04384	4.0
149.03906	1.0
149.05981	7.5
151.02135	13.3
153.05473	1.1
153.06590	2.2
155.08131	2.4
159.02295	1.5
160.00624	2.8
160.05125	1.2
163.02695	0.9
163.03873	5.6
165.00079	7.9
165.03734	2.7
174.23470	0.9
177.03308	50.7
177.05460	9.1
178.06268	49.1
179.01639	39.7
179.07011	2.3
181.06078	3.0
181.08612	2.5
185.03844	7.9
193.03224	3.4
194.00439	1.3
196.01929	3.3
197.02708	4.1
199.07065	2.2
205.03206	10.2
205.05066	1.2
209.02681	7.4
211.04260	100.0
212.04645	1.9
213.08759	1.1
217.55772	1.0
219.04578	1.1
221.10477	1.0
227.45906	1.0
231.04407	8.7
237.03824	0.9
237.05832	5.5
254.08487	25.0
288.06488	3.3
289.04929	1.2
306.07510	3.5
340.08542	6.8
357.11169	59.7
358.11255	1.9
373.09528	7.5
399.12259	1.7
411.12198	14.3
416.13806	7.2
486.15555	15.7
519.16510	9.0
573.17255	5.3
585.67578	1.0
585.93140	0.9
648.20544	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	647.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
54.17793	1.2
55.05505	4.8
56.97650	1.1
57.07069	1.2
66.63283	1.0
67.05513	10.3
69.07069	5.3
69.39217	2.5
69.39626	7.0
72.92808	1.1
79.05505	7.1
81.03429	2.8
81.07063	13.2
83.08639	6.9
86.24422	1.1
89.03918	9.5
91.05486	9.3
93.07063	10.0
95.04995	2.5
95.08619	17.5
97.10147	2.0
98.20741	2.3
105.07048	16.0
106.04173	1.2
107.08608	17.0
109.06519	1.7
109.10176	10.3
117.03395	26.9
117.07008	3.0
119.08591	20.4
121.06462	1.2
121.10148	11.7
123.08040	2.0
123.11700	3.4
125.09612	1.2
128.06218	1.1
131.08603	9.0
133.10139	14.1
134.03661	2.1
135.11710	9.5
137.06047	1.5
137.13373	1.4
142.07816	2.4
143.08592	4.7
145.02856	60.6
145.10138	16.3
147.11705	14.5
149.06017	8.9
149.13306	4.9
155.08553	2.3
156.09352	1.8
157.10153	4.1
159.11705	10.9
161.13306	5.2
163.03970	1.6
163.11191	1.3
163.14810	1.6
169.10127	2.8
171.11742	5.8
172.24985	1.1
173.13261	6.3
175.14864	7.9
177.05490	100.0
177.16396	6.4
178.05917	1.2
180.48907	1.1
183.11713	2.7
185.13264	5.7
186.05472	1.9
187.14876	8.5
189.16399	14.9
191.17989	3.2
195.06543	8.7
197.13313	1.8
199.14925	6.0
201.16423	15.9
203.14368	5.6
203.18007	8.2
205.15846	2.5
209.13435	1.6
211.14899	3.2
213.16402	4.9
215.17943	3.6
217.19481	1.4
221.15375	1.9
225.16365	1.3
227.18066	1.8
233.15436	1.6
239.18002	3.3
241.19501	2.2
245.15352	3.4
247.17029	1.9
249.14813	5.8
253.19495	1.9
259.16974	2.6
297.18387	1.4
347.27274	1.4
353.24725	1.7
389.31897	6.2
407.33237	5.7
409.31073	1.5
435.32651	24.5
453.33899	6.9
568.36951	1.5
579.77826	1.4
647.37683	2.6
675.40558	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	647.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.43155	0.8
55.05518	2.1
57.70837	0.8
60.32753	0.8
61.93504	0.8
62.98029	0.8
67.05508	2.0
69.03445	6.1
69.07076	1.8
70.00284	4.4
70.06617	1.1
70.79947	0.9
79.05499	5.3
81.03439	1.7
81.07066	6.2
83.04980	2.9
83.08632	1.0
85.02909	2.7
87.00842	1.2
91.05517	5.3
93.07048	2.9
95.04995	2.5
95.08598	2.5
97.02885	1.0
101.51365	0.8
105.01865	1.2
105.07024	7.9
107.04992	5.0
107.08606	21.0
109.02892	2.4
109.06527	2.8
109.10172	5.8
115.05423	1.5
117.07037	2.0
117.12894	0.9
119.04955	1.2
119.08591	3.4
121.06544	1.9
121.10149	10.4
122.07307	4.0
123.08045	1.3
127.03933	4.7
131.08582	2.2
133.10146	100.0
134.10454	1.3
135.08078	9.4
135.11694	1.0
137.06009	1.1
137.09633	54.5
138.09988	1.1
145.02930	1.0
145.10107	1.9
147.04445	4.0
147.11676	1.7
149.09633	3.4
149.13260	9.8
158.10898	1.2
163.14839	3.4
173.13257	5.9
191.14328	90.0
192.14671	1.9
206.57057	0.9
209.15393	5.7
223.93704	0.8
231.05011	1.6
387.35129	1.0
403.17517	2.6
416.68079	0.9
421.18613	2.9
439.19736	2.5
541.03815	1.1
603.31830	2.0
618.76685	1.0
647.30792	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	646.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01872	2.4
55.05520	22.9
57.03443	20.1
57.07075	4.4
60.30699	2.1
65.03934	6.0
67.05512	79.7
69.07079	19.9
70.78965	4.2
71.04980	3.6
72.59991	1.8
79.05499	60.7
81.07064	79.8
81.33044	1.9
83.08633	9.5
85.06580	2.9
91.04962	3.4
91.05491	46.5
93.07058	72.8
95.04976	7.4
95.08614	57.2
97.06528	5.3
97.10162	3.9
99.08107	2.6
105.07040	36.3
106.07323	2.2
107.08605	40.3
109.06538	5.3
109.10174	23.0
111.08091	4.5
111.11653	1.8
115.05473	1.9
117.07010	14.5
119.08586	26.9
121.10158	36.5
123.08062	4.6
123.11713	4.6
128.06200	2.0
129.07037	5.8
131.08577	25.6
133.10149	27.9
135.11710	21.3
137.13301	2.2
143.08534	5.5
145.10133	19.4
147.11694	19.6
149.13326	10.3
153.52983	2.0
157.10056	4.3
159.11694	13.0
161.13313	13.1
163.14816	4.3
171.11737	5.4
173.13249	10.0
175.14828	5.1
177.12787	2.2
183.11595	2.0
185.13269	6.2
187.14813	10.6
201.16434	2.4
205.15913	4.6
241.19547	7.6
259.20575	21.6
261.22144	7.8
277.21646	11.9
293.21011	4.5
328.17471	2.1
333.24210	14.4
335.25815	100.0
351.25345	21.1
611.46869	18.4
646.47388	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	646.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82604	13.2
55.05498	27.6
57.03437	15.0
65.54410	16.7
67.05510	100.0
67.05808	18.4
69.07051	18.2
71.04935	12.4
79.05501	79.4
81.07059	89.8
83.08614	19.3
91.05492	95.1
93.07051	88.1
95.04959	15.3
95.08621	85.8
105.07044	92.8
107.08593	49.4
109.10169	21.5
117.07025	30.4
119.08579	61.4
121.10135	42.9
129.06998	21.9
131.08572	42.2
133.10109	82.1
135.11633	16.8
145.10135	35.6
147.11667	40.4
159.11707	28.3
161.13229	26.4
171.11772	18.6
241.19562	38.9
244.25833	15.6
251.61513	16.1
259.20529	68.7
333.24155	54.0
335.25964	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
54.75198	0.5
55.01875	0.9
55.05516	3.6
57.03439	0.6
57.07063	0.7
59.05006	0.6
61.02935	0.7
62.06101	0.6
67.05506	2.7
68.05032	0.7
68.99786	0.7
69.03431	6.4
69.07070	6.1
70.06602	3.1
71.07372	0.7
71.08633	5.8
71.59316	0.6
72.08160	3.4
73.02921	0.9
74.08008	0.5
79.05489	2.8
81.03427	4.4
81.07067	6.2
83.04981	1.7
83.08613	0.9
84.08138	1.8
85.02911	5.2
86.06072	16.2
86.06601	0.9
86.09730	0.5
87.00838	1.9
87.04459	0.5
88.07622	2.1
91.05473	1.5
93.07056	5.9
94.30882	0.5
95.04939	0.8
95.08607	4.3
96.08141	4.2
97.02898	3.4
97.06554	2.0
97.10183	2.5
98.06046	1.4
98.09695	9.5
99.04493	3.1
99.08100	4.3
100.07628	0.8
102.09197	1.6
102.87695	0.5
105.01836	1.0
105.07043	1.5
107.08607	1.9
108.08128	3.1
109.02876	4.8
109.06508	0.5
109.10165	1.5
110.09679	1.0
111.69868	0.4
114.09197	0.8
116.10741	48.4
119.04955	0.9
119.08594	1.5
120.08147	0.6
121.10167	4.0
122.09707	3.4
124.07595	1.3
126.09133	1.1
127.03924	7.9
131.08577	0.9
133.10135	1.0
134.09676	0.8
136.11208	1.5
138.09137	1.2
138.12817	0.7
139.11169	3.0
140.10684	0.9
142.08662	0.8
142.12299	1.1
143.10669	3.5
145.04951	1.2
147.04404	2.0
147.11667	0.7
149.02342	6.4
149.09621	1.0
152.10747	0.9
154.15933	1.7
159.02899	0.7
159.11716	0.6
163.03969	1.3
166.15898	0.9
185.33054	0.5
193.04959	1.5
196.17035	2.7
200.20107	6.0
203.12791	1.4
210.14937	0.6
211.13312	5.4
211.17738	0.6
213.03947	0.8
214.18037	40.5
221.15486	0.5
225.11310	0.7
229.14407	4.2
231.04955	1.6
236.20044	1.0
240.19644	0.9
246.18617	1.3
252.19650	0.6
264.19629	4.6
282.20648	23.3
300.21713	100.0
301.21924	2.6
303.83539	0.5
317.26758	0.5
329.12415	0.7
343.45633	0.6
347.13284	0.6
380.28146	2.8
398.29028	22.5
403.10175	1.2
429.11963	0.9
436.36078	0.6
462.22742	3.4
473.14594	1.5
486.27100	1.1
504.28024	1.4
530.25909	3.0
548.27112	19.2
549.27087	0.7
596.21967	0.7
611.83441	0.6
628.24377	1.7
628.33533	1.0
646.32983	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	646.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01869	0.6
55.05516	3.3
57.03430	0.9
59.04981	0.5
61.02909	0.4
62.06074	0.5
67.05513	2.1
68.17033	0.4
69.03437	4.6
69.07068	5.3
70.06583	1.6
70.98711	0.6
70.99048	0.5
71.05004	0.8
71.07402	0.4
71.08635	2.7
72.08157	2.3
73.02905	0.7
79.05518	2.0
81.03041	0.5
81.03431	4.8
81.07060	4.9
82.06564	0.6
83.04981	1.1
83.08647	0.7
84.08134	1.2
85.02914	3.8
86.06075	15.6
87.00837	1.9
87.04464	0.8
91.05476	0.7
91.44200	0.4
93.07039	3.7
94.06572	0.4
95.04966	0.5
95.08628	2.8
96.08146	2.2
97.02895	1.9
97.06530	1.7
97.10172	1.9
98.06048	1.2
98.09704	8.0
99.04446	1.5
99.08097	2.7
105.01859	1.0
105.07027	0.6
107.08581	1.2
107.61517	0.4
108.08119	2.2
109.02892	3.6
109.06551	0.6
110.09657	0.6
111.11724	0.6
114.09187	0.9
116.10738	40.0
117.01853	0.8
119.08589	1.2
119.10742	0.5
121.10148	3.9
122.09675	3.4
124.07607	1.5
126.09158	0.6
127.03928	5.9
129.01845	0.4
131.08585	0.7
133.10167	0.7
135.11682	0.4
138.09138	0.8
139.11171	3.6
140.10664	0.4
142.12270	1.5
143.10689	3.6
145.04938	1.1
147.02802	0.7
147.04448	0.5
147.11674	0.5
149.09615	0.5
152.10695	0.7
159.02953	0.6
163.03888	0.9
186.14925	0.9
187.06015	0.5
203.12807	0.9
204.06413	0.5
210.14790	0.7
211.13292	3.8
213.03902	0.9
214.18025	8.3
214.95412	0.4
220.44826	0.4
229.14348	3.7
231.04980	1.1
234.18521	0.4
236.20110	0.9
240.19626	1.2
241.17963	0.8
246.18513	0.9
252.19566	0.6
264.19562	3.3
282.20660	18.8
282.23804	0.9
283.21121	0.5
300.21704	100.0
301.21945	2.2
328.24792	0.5
329.12454	0.7
347.13455	1.0
374.14301	0.5
380.27786	2.4
398.29053	18.0
398.34314	0.9
399.28946	0.4
443.37244	0.6
504.28180	0.9
530.25732	1.2
548.27026	16.2
549.26935	0.7
560.33820	0.4
614.26068	1.1
628.33124	0.5
646.34637	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	645.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41677	1.0
58.91198	1.3
67.05502	5.1
69.03419	2.2
71.59017	1.4
79.05480	3.1
81.03410	3.3
81.05804	1.3
81.07043	1.9
82.06585	1.5
85.02907	1.5
86.06076	1.4
91.05487	5.1
93.07038	5.6
94.06580	6.9
95.04947	1.4
95.07356	4.6
95.08591	1.7
96.08134	13.6
97.06551	1.5
98.09708	1.6
99.04460	1.3
105.07030	1.4
108.04490	2.2
108.08132	14.0
109.02856	1.2
110.09688	28.0
116.10726	4.0
119.04956	4.0
119.08585	3.0
120.04517	2.3
120.08106	15.1
122.06065	6.4
124.07613	5.6
127.03930	2.8
128.04189	1.4
136.07599	9.7
137.09555	1.2
138.09146	29.6
144.04486	1.2
145.10147	1.4
146.06096	1.3
147.04422	12.6
148.04787	5.2
148.07607	5.2
150.09167	7.2
152.07056	3.5
160.03990	2.6
163.03911	3.4
164.07133	2.6
166.08650	34.9
168.10239	3.8
172.03929	7.2
174.09125	1.7
190.04988	4.0
190.84981	1.4
199.08792	1.4
204.06549	12.2
210.11462	1.4
211.08701	3.1
211.12306	2.6
212.09509	2.2
212.13110	1.0
213.10287	5.6
221.63560	1.2
223.08678	9.7
223.12279	1.9
225.10237	30.3
225.13712	1.9
226.11000	5.3
227.11775	6.4
236.09421	2.8
237.06651	2.2
237.10197	17.7
237.13881	1.9
238.10976	11.3
239.08133	2.9
239.11826	20.0
240.12576	3.7
241.09904	1.7
241.13338	1.6
241.74223	1.3
249.10274	4.3
250.11046	3.4
251.08093	12.8
251.11801	16.9
252.12587	3.1
253.09697	14.9
253.13307	8.3
254.10536	3.6
255.11240	2.3
257.12946	1.8
261.10260	1.3
263.11722	2.9
264.08923	2.9
264.12601	2.0
265.09753	28.5
265.13361	11.3
266.10522	13.4
266.13922	2.7
267.11328	8.0
267.13882	1.4
269.12857	3.4
271.10889	4.5
273.12485	2.6
277.09586	2.7
278.10461	2.5
279.11295	21.4
280.09421	1.4
280.12146	1.6
280.19037	2.2
281.12866	12.9
283.10800	15.8
283.14395	5.6
284.11728	3.5
285.12366	43.0
286.13168	5.1
287.14133	2.1
291.11398	1.8
293.12848	7.6
294.13702	2.7
295.11057	2.3
295.14398	4.3
296.11636	4.3
297.12341	16.1
298.13168	8.5
298.20123	5.4
299.13919	16.3
299.20453	5.1
307.10709	2.9
309.12268	8.3
310.13019	4.4
311.13922	13.3
313.15552	1.8
321.12402	4.2
323.10294	1.9
324.10855	1.5
325.11868	16.0
326.12625	5.0
327.13406	37.5
328.14392	1.5
337.11874	4.5
338.12643	6.8
339.13403	9.8
343.12927	2.3
355.12894	2.2
357.14450	9.5
358.15244	4.1
359.15955	8.9
370.15063	1.7
371.16064	3.2
376.16467	2.0
386.14133	1.5
397.27570	1.5
414.18256	1.8
418.17419	5.0
432.19022	4.4
436.18567	1.4
439.84052	1.3
448.18503	5.2
450.20541	5.4
451.20834	5.2
460.18585	6.2
462.20200	2.6
464.21759	2.3
474.20224	7.9
480.21161	1.8
482.10178	2.6
490.19653	11.0
491.20557	30.6
492.21289	74.3
493.21646	2.6
506.22388	1.9
509.21677	16.1
522.22522	2.6
523.23163	100.0
524.23981	26.7
595.24957	4.3
613.26587	20.0
645.29327	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	645.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
64.03902	1.3
67.05508	4.5
70.06606	1.4
70.15614	2.7
70.15980	4.3
73.65975	1.3
79.05496	4.2
81.03458	1.2
81.07020	1.8
82.06573	4.2
89.03889	2.0
91.05504	6.3
92.05013	1.4
93.07043	7.8
94.06592	16.4
95.04961	2.6
95.07355	7.5
96.04488	1.6
96.08135	21.3
98.21445	1.9
106.06565	7.2
107.07380	2.1
108.04500	2.7
108.08117	26.4
108.08845	1.7
109.08919	1.4
110.06031	1.6
110.09693	34.5
116.04982	4.5
119.08579	1.6
120.04465	4.3
120.08120	23.7
122.06044	17.8
122.09652	1.9
123.06877	1.3
124.07601	18.7
130.06540	2.4
132.08086	2.5
134.06038	2.2
136.07588	24.7
138.05501	2.0
138.08107	2.8
138.09154	42.5
144.04482	11.0
146.06021	10.7
146.09669	1.6
148.06508	2.4
148.07588	26.2
150.09151	7.2
152.07080	11.8
160.03958	2.3
160.07541	3.0
162.05516	4.4
162.09198	1.4
164.07063	7.5
166.08655	66.8
168.10170	1.8
172.03954	43.7
174.05556	1.5
174.09262	1.5
176.07068	1.7
178.08687	2.3
181.05196	1.2
182.09674	3.0
186.12823	1.8
190.05005	20.5
197.10796	4.1
198.09306	1.5
198.11443	2.7
199.12248	1.7
200.06989	1.3
201.10327	2.2
204.06573	74.5
205.07124	1.8
209.10683	2.8
210.09309	1.7
210.11475	3.7
211.08513	1.7
211.12349	5.0
212.11015	1.4
212.13170	2.4
213.10191	3.5
215.11844	4.6
218.08199	3.4
219.57626	1.3
220.09766	6.0
221.10823	2.0
222.11560	1.8
223.08829	2.6
223.12309	6.6
225.10265	7.4
225.13916	1.6
226.11044	6.5
227.09862	1.5
227.11761	7.4
229.09782	5.4
229.13350	9.9
235.08743	2.8
235.12215	1.9
236.09511	3.0
237.10219	11.4
237.13908	2.3
238.11011	9.6
239.11839	22.9
240.12549	1.8
241.09737	5.5
241.13402	2.5
244.93355	1.3
245.12933	5.0
246.07668	6.2
248.09509	3.0
249.10252	16.0
250.10939	8.1
251.08105	1.8
251.11836	18.8
252.08896	3.5
252.12582	5.7
253.09814	3.1
253.13370	7.4
255.11301	17.5
256.12021	2.8
257.12814	3.1
259.14453	3.4
262.11035	3.3
263.07947	2.0
263.08710	2.1
263.11826	30.4
263.14465	2.3
264.08875	5.5
264.12543	7.7
265.09790	7.5
265.13367	16.0
266.10562	7.3
266.13242	1.4
267.11292	19.2
269.12900	4.7
271.11032	2.0
271.14423	10.0
273.12347	8.7
275.11667	2.9
277.09732	4.7
277.13260	1.4
278.10532	4.9
279.11288	37.3
280.12076	4.7
281.09616	1.9
281.12839	16.2
282.10156	2.2
282.13419	2.0
283.10822	6.0
284.11581	4.6
285.12366	34.1
287.13849	1.9
289.15488	14.4
291.11298	20.7
292.11969	6.1
293.09598	2.5
293.12802	21.0
295.10745	4.4
295.14246	3.2
296.11523	3.3
297.12357	48.4
298.12772	1.7
299.13843	14.1
307.10870	2.5
309.12360	33.7
310.13077	2.3
311.10468	2.7
311.13907	4.5
315.13388	2.5
316.14496	1.7
319.10822	18.8
321.12320	7.4
323.10281	7.1
323.13730	1.7
325.11877	28.7
325.15439	1.4
327.13428	12.2
337.11835	78.1
338.12466	3.0
339.13303	8.3
343.12918	2.6
357.14481	14.1
360.17099	2.0
369.14404	3.7
371.16000	4.5
372.17059	1.8
374.18494	1.6
385.13739	2.0
388.16443	1.8
392.19739	1.9
394.17593	4.9
400.16437	2.6
402.18347	3.2
404.19791	6.7
406.17560	2.1
414.17874	1.6
416.19626	3.8
418.17621	3.3
420.19162	1.6
422.20938	2.3
430.17654	6.3
432.19147	5.5
442.17578	3.0
444.19003	2.6
446.21039	2.9
448.18631	38.0
449.19351	9.5
450.20245	46.4
451.20551	1.5
460.18683	23.9
462.20535	7.1
472.18536	3.2
474.20187	3.6
476.18076	3.4
477.19089	3.1
478.19669	2.0
480.21423	9.4
490.19788	54.2
491.20605	6.6
492.21512	7.3
493.22324	1.8
522.22473	10.9
523.22693	2.4
553.24377	2.5
567.25848	4.4
569.27887	2.1
571.25177	4.0
585.27258	14.4
595.25323	7.9
601.30585	3.1
613.26593	100.0
614.26660	5.7
645.29608	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	645.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11064	2.4
54.87944	2.5
55.05503	3.3
67.05515	4.6
70.06579	3.2
71.59132	3.7
79.05465	6.4
81.03421	3.3
81.07036	5.9
91.05466	8.3
93.07060	7.0
94.06564	13.7
95.07365	6.5
96.08141	19.6
105.07011	3.8
106.06580	5.8
107.07356	3.5
108.08119	28.4
110.09683	30.6
111.08112	2.6
117.03256	3.3
119.08585	4.2
120.04441	6.0
120.08101	20.6
121.10135	4.7
122.06017	13.7
122.09625	3.6
123.04401	3.9
124.07613	17.9
127.03908	4.4
134.06088	3.6
136.07571	43.6
138.09140	36.8
144.04445	7.0
145.02798	3.6
145.10112	4.1
146.06033	12.2
146.09705	4.0
147.04401	7.7
148.07607	30.9
150.09154	11.7
152.07065	25.2
156.61687	3.4
157.66655	3.0
159.11555	2.8
160.79126	2.9
162.05542	6.1
163.03947	10.5
164.07094	6.5
166.08646	57.0
170.89238	3.2
172.03935	29.4
174.09163	4.9
176.07138	5.2
190.04922	22.4
197.10709	4.5
198.11502	6.7
204.06541	44.5
209.10796	4.7
210.11562	8.5
211.08774	4.0
211.12337	11.4
212.09439	4.4
212.13083	3.9
218.08162	3.5
223.08910	3.0
223.12314	11.0
224.09538	3.8
225.10263	17.8
226.11000	12.1
227.11832	7.9
229.13364	3.5
235.08731	4.4
235.12379	4.9
236.09395	4.4
237.10214	22.5
237.13872	3.0
238.10971	15.7
239.11784	15.6
241.13387	5.4
248.09346	3.5
249.10178	14.7
250.10966	10.0
251.11841	24.5
252.12364	7.9
253.09753	4.3
253.13446	9.9
255.11365	6.2
256.12207	8.2
257.12793	3.6
258.52899	2.8
262.11041	5.6
263.07831	3.9
263.11832	29.2
264.08829	9.3
264.12527	8.8
265.09656	14.9
265.13318	16.5
266.10529	9.4
267.11270	33.6
268.11719	3.5
269.12845	10.9
271.10907	5.5
271.14438	17.4
273.12274	7.9
276.12714	3.2
277.09760	5.9
277.13315	3.2
278.10492	6.6
279.11276	50.7
280.11990	9.6
281.12958	21.6
282.09952	5.1
283.10748	10.9
284.11572	19.2
285.12347	64.7
287.13947	6.2
289.15491	6.5
291.11246	20.5
292.12183	8.4
293.09824	4.3
293.12814	22.5
295.10861	10.0
296.11606	8.0
297.12335	79.1
298.13016	5.0
299.13843	15.9
307.10849	4.6
309.12347	34.0
310.13171	6.5
311.10223	11.3
311.13739	6.0
312.10867	3.4
313.11694	5.4
319.10733	14.9
321.12411	23.2
323.10379	17.8
323.13501	3.4
325.11880	32.7
327.13412	21.5
337.11835	88.7
338.12393	3.9
339.13406	7.6
343.12949	4.7
355.12854	3.2
357.14471	13.9
359.16101	4.4
367.08252	2.9
369.14420	8.0
370.15070	4.3
371.16144	3.9
373.13971	4.2
385.13968	3.6
392.19778	7.2
400.16394	5.5
402.17877	7.4
404.19748	6.9
412.16605	3.0
418.17676	3.4
421.20090	4.8
422.20926	3.0
430.17740	18.3
432.19171	18.8
442.17212	5.4
446.20767	8.2
448.18683	58.8
449.19437	43.9
450.20224	49.8
460.18777	43.8
461.19220	8.1
462.20145	10.3
472.18393	3.0
474.20142	9.4
476.18036	18.0
477.18912	16.4
478.19498	21.1
490.19754	100.0
491.20160	19.9
492.21347	25.7
493.21921	3.6
522.22382	28.5
523.23102	12.1
595.25360	22.9
613.26593	93.0
645.28430	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	644.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05516	3.1
61.02877	0.7
67.05482	1.8
68.05019	0.6
69.03429	4.6
69.07078	6.8
70.06565	2.4
71.04979	0.9
72.08125	0.7
72.37582	0.6
73.02906	1.4
79.05501	4.7
81.03429	5.1
81.07053	4.8
82.06554	2.0
83.04981	1.4
83.08589	1.1
84.08116	1.8
85.02909	6.7
85.06522	1.2
86.06077	12.8
87.00807	2.6
89.03899	1.0
91.05457	2.6
93.07041	7.6
95.04957	1.6
95.08620	3.3
96.08144	7.4
97.02883	4.3
97.06518	1.9
97.10176	1.6
98.06043	3.3
98.09686	2.5
99.04449	3.0
105.01879	1.2
105.07008	2.0
107.04962	1.2
107.08564	2.4
107.38489	0.6
108.08104	2.6
109.02882	5.7
109.06512	2.1
109.10123	0.9
110.09658	1.2
112.07573	1.3
116.10730	6.4
117.03365	2.2
117.06957	1.7
119.08569	1.5
119.20902	0.7
120.08125	0.9
121.02833	1.9
121.06464	2.0
121.10153	3.9
122.09650	1.3
123.08075	1.0
124.07591	3.4
125.05995	1.2
126.09145	0.9
127.03935	4.6
131.08530	1.2
133.10147	1.4
134.09673	0.9
135.04318	0.9
135.11848	0.6
136.07553	2.1
136.11192	1.3
137.02316	1.7
137.05951	1.7
138.09138	1.3
138.12798	10.2
139.03862	0.7
139.11163	1.2
140.10681	0.9
142.08649	15.3
143.07013	0.8
145.02846	5.8
145.04939	0.8
145.06497	1.1
145.10075	0.9
146.06090	0.7
147.04398	1.4
148.07582	2.9
149.05919	1.1
149.07907	1.0
149.09589	0.7
151.11189	2.3
152.10709	2.2
154.12260	2.4
159.02985	1.6
163.03845	1.4
166.08618	1.2
167.07021	2.3
168.07332	0.9
169.12222	2.8
172.03918	1.0
172.86423	0.6
176.14420	1.3
177.05490	11.6
181.04967	3.1
182.15474	2.7
184.13358	3.3
187.11160	0.8
191.07010	1.8
194.15424	2.9
203.12848	0.8
205.72929	0.6
210.14912	47.2
211.13298	0.7
211.15050	0.8
212.16475	82.1
215.10738	0.8
228.15967	100.0
229.14375	5.1
229.16331	1.0
251.12772	0.9
282.20407	0.8
287.05594	1.6
300.21899	1.0
312.12335	2.7
325.19925	0.7
335.21988	2.2
358.14890	0.8
378.26477	3.6
386.13571	0.7
396.27490	44.9
397.27811	1.6
416.22949	0.8
459.17374	0.9
460.22043	2.3
463.20023	0.8
476.21472	4.6
600.33801	7.7
612.26202	0.8
626.32300	0.8
644.22382	1.5
644.32794	22.9
645.33624	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	643.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.3
52.95348	2.1
53.03938	7.8
55.01871	6.3
55.05515	31.1
57.03429	8.2
57.07070	3.9
65.03934	2.4
67.05505	76.4
69.03417	2.7
69.07072	29.9
71.04992	3.3
79.05498	60.2
80.05853	2.8
81.03401	6.0
81.07060	100.0
83.04977	9.2
83.08629	13.7
85.06533	6.8
91.05485	73.3
91.15253	2.0
93.07050	67.6
95.04989	17.6
95.08608	51.8
97.06538	10.3
97.10179	6.1
98.21614	4.8
103.05476	2.6
105.07035	73.0
107.04971	10.9
107.08611	33.6
109.06523	13.4
109.10161	22.0
109.70947	2.4
111.08067	6.1
115.05470	3.2
117.07011	25.4
119.08593	59.8
119.25794	2.5
121.06506	7.2
121.10159	25.5
123.08082	5.3
123.11718	13.9
125.09658	6.5
128.06221	2.5
129.06999	12.9
129.50032	2.2
131.08575	35.0
133.06528	4.0
133.10139	46.7
135.08072	8.5
135.11690	18.1
137.09683	4.7
141.07018	2.4
142.07773	2.9
143.08537	14.8
145.10121	27.3
147.08025	3.5
147.11703	49.7
149.09637	6.4
149.13245	12.6
155.08574	5.8
157.10133	15.9
159.08101	2.6
159.11722	23.7
161.05952	2.3
161.09622	3.3
161.13261	29.2
163.03960	5.8
163.11205	4.1
163.14842	4.5
165.12782	6.4
169.10187	4.5
171.11673	12.7
173.13254	17.0
175.11230	6.3
175.14790	10.7
177.12720	3.5
181.10081	3.4
183.11761	3.5
185.13269	9.7
187.11226	2.5
187.14778	5.4
195.11609	2.6
197.13295	7.1
199.14795	6.6
209.13254	4.2
211.14880	3.8
213.16376	6.2
229.19574	3.1
231.17281	2.2
231.21162	3.9
239.17967	3.5
241.19527	24.1
247.20572	3.1
257.18991	10.8
259.20578	43.9
273.02905	2.2
273.18616	4.3
275.20099	42.2
277.21603	3.8
293.21124	9.0
301.14273	2.3
315.23141	6.2
327.05377	2.2
333.24265	38.9
335.26044	4.5
349.23605	10.6
367.24771	22.5
415.11404	3.1
452.60883	2.2
460.01270	2.2
515.37610	5.4
524.78778	2.8
527.37360	3.0
533.39587	3.5
551.40851	6.6
607.44171	10.7
625.44800	16.7
643.22614	3.3
643.45331	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.9
67.05504	1.5
71.15115	1.3
72.67807	0.7
79.05495	2.4
80.05010	1.0
82.06565	1.3
87.78683	0.7
89.03912	1.4
91.05483	3.1
93.05792	1.4
93.07050	2.7
94.06567	7.6
95.07349	3.9
95.08588	0.9
96.08131	9.2
97.06572	1.3
99.35667	0.7
105.07062	0.8
106.06533	1.4
107.07364	1.0
107.08574	0.7
108.04485	3.4
108.08119	14.8
110.09683	12.3
111.29655	0.8
114.01327	0.7
116.04993	4.5
118.06547	1.2
120.03754	0.8
120.04473	5.1
120.08104	11.8
122.06013	5.9
122.09697	0.9
123.04388	1.1
123.06798	1.5
124.07599	8.8
130.06523	1.3
132.04462	1.2
134.06032	5.4
136.07571	12.0
138.05556	1.2
138.09148	15.7
144.04448	9.6
146.06000	7.5
147.04459	1.3
148.07587	6.5
152.07071	3.2
160.03914	3.8
162.05559	5.1
163.03992	2.1
164.07068	2.5
166.08641	19.5
167.07315	0.9
172.03949	33.3
172.07643	1.0
174.05528	2.6
174.09221	1.0
176.07082	4.3
182.08334	1.7
182.09760	1.3
183.09193	0.8
184.09929	1.0
190.04997	25.8
195.09262	1.1
197.10759	3.8
198.07916	1.3
199.08630	1.4
199.12306	2.5
204.06578	60.4
207.09215	1.0
209.10837	1.6
210.09267	2.1
210.11395	0.9
211.08696	5.9
211.12296	0.8
212.09444	2.6
213.10242	2.0
223.12245	1.7
224.09409	2.2
225.06732	1.1
225.10254	12.2
226.11031	2.5
227.11792	21.6
229.13573	1.1
235.08717	1.4
236.09503	3.2
237.10222	6.2
238.11038	3.0
239.11778	4.9
241.09697	2.7
241.13350	1.8
243.11337	1.5
245.12915	1.3
249.10191	5.1
250.11058	2.5
251.08348	1.3
251.11807	5.0
253.07359	1.1
253.09753	9.1
255.11349	2.6
263.08075	1.3
263.11856	2.5
264.08902	4.2
265.09723	2.8
266.10513	1.8
267.11389	3.8
269.12866	25.3
271.10834	11.8
272.11185	1.0
273.12314	8.5
277.09845	3.9
279.11237	5.8
281.09518	1.0
281.12808	1.8
282.09891	0.9
283.10773	6.8
284.11514	6.2
285.12280	7.7
286.13275	1.6
287.13922	23.0
289.13263	1.0
291.11288	1.8
293.09317	1.2
293.13007	0.9
295.10849	2.5
296.11597	1.5
297.12369	12.3
298.13547	1.0
299.14041	6.9
301.12689	1.0
307.10825	3.0
309.12601	1.1
312.15067	1.4
313.07245	1.2
313.12231	3.1
314.13040	5.2
315.13965	1.9
316.11142	1.5
316.14432	2.6
323.10312	8.6
325.11819	30.2
326.12711	1.8
326.16589	2.1
327.13547	5.8
327.16992	1.1
328.11328	5.3
328.14493	5.1
329.15289	1.7
330.12338	1.4
330.15991	2.6
331.16739	2.5
337.11887	1.5
339.13559	2.5
340.10681	1.1
340.14560	1.3
341.11807	2.8
342.12418	8.1
342.16135	1.8
343.12991	8.5
344.13895	1.9
344.17719	1.1
352.14569	1.0
353.12265	1.3
354.12173	1.7
354.16199	1.8
355.13272	2.9
356.13867	7.6
357.14566	14.1
358.15543	5.8
365.11621	1.4
366.16281	0.9
367.13315	3.7
369.15372	1.3
370.11392	1.5
370.15756	6.9
371.16757	1.4
372.17142	1.9
374.18863	1.0
378.18222	1.8
380.13937	1.2
381.12500	1.1
382.11792	5.0
383.12592	3.5
384.13165	6.1
384.17682	1.5
385.14279	3.2
386.14877	3.5
386.18808	3.3
388.16608	1.2
390.18198	3.7
394.15500	1.9
397.15521	1.8
398.15002	22.9
399.15796	33.1
400.16306	2.7
402.18225	2.1
404.15756	7.2
412.16266	3.2
414.18326	5.6
415.15536	1.2
416.16046	21.8
417.16461	2.0
422.16525	1.9
428.15836	4.5
430.17776	3.8
432.19110	1.0
440.16071	8.4
441.14673	2.8
446.17090	26.4
447.17563	1.7
448.18512	3.4
458.17114	64.2
459.17361	2.7
460.18747	1.1
461.17294	1.0
473.16891	1.0
478.19803	1.4
488.18192	1.6
490.19632	12.3
520.20819	6.9
521.21167	1.3
522.22290	3.6
565.24622	2.5
567.26074	5.0
569.23895	11.6
575.22681	1.1
583.25739	4.3
593.24048	12.9
594.23602	1.5
611.25006	100.0
612.25183	5.5
626.24908	5.2
643.27637	5.5
652.93011	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	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	1.2
53.03947	1.2
55.37183	1.0
65.03944	1.8
67.05500	3.2
69.03455	1.0
70.06575	1.5
71.59106	1.4
78.73557	0.9
79.05499	2.7
79.21739	0.9
80.04999	1.0
81.03413	2.1
81.07069	1.2
82.06564	1.3
85.02898	1.7
87.00853	1.1
89.03928	2.3
91.05468	5.6
92.05020	1.4
93.05811	1.9
93.07059	3.9
94.06564	6.7
95.04989	1.4
95.07346	2.9
96.08129	7.2
97.02911	1.5
103.05493	1.1
106.06573	1.8
107.04959	1.2
108.04492	3.9
108.08120	13.0
109.02906	1.4
110.09675	11.1
116.04969	2.7
116.07089	1.8
117.03403	1.2
119.04952	5.6
120.04464	5.2
120.08116	9.6
121.02895	2.7
122.06034	6.4
122.09707	1.2
123.04427	1.5
124.07613	7.9
127.03952	3.5
134.06021	4.9
135.04350	1.2
136.07565	11.3
138.09152	13.1
144.04451	7.6
146.05969	5.9
147.04416	24.9
148.07587	4.4
152.07111	2.5
158.02490	1.0
160.03978	4.4
162.05421	5.0
163.03906	8.8
164.07094	1.8
165.09145	2.3
166.08615	16.2
167.07149	1.4
172.03944	29.5
172.05424	1.7
172.07527	1.3
174.05510	1.8
174.09164	1.2
176.07103	4.2
177.05507	1.2
181.05020	1.2
182.09584	1.4
190.05011	20.9
196.07800	1.1
197.10768	3.8
199.08684	1.2
204.06566	55.9
208.09946	1.1
209.10791	1.2
211.08710	5.1
212.09442	1.8
213.10243	1.2
223.08711	1.9
224.09482	1.8
225.10243	10.1
226.11089	1.1
227.11798	19.5
235.08780	1.8
236.09509	2.8
237.10263	4.5
238.10989	2.6
239.11911	6.6
241.09879	1.5
241.13405	1.3
249.10280	4.0
251.08229	1.6
251.11777	4.5
252.09109	1.2
253.09679	7.3
255.11273	1.5
261.10422	1.1
263.08069	1.6
263.11789	2.1
264.08942	3.7
265.09683	3.6
266.10602	1.7
267.11398	3.1
269.09924	1.7
269.12848	22.5
271.10767	11.1
273.12411	6.9
277.09695	1.9
279.11285	8.3
281.12906	2.3
283.10712	7.2
284.11520	5.7
285.12357	6.8
286.13065	1.7
287.13934	20.4
289.13156	1.2
291.11340	1.5
293.09268	1.8
293.12720	1.4
295.10886	3.5
296.11545	1.2
297.12405	8.8
299.14124	5.2
300.11694	1.5
307.10776	2.2
313.11920	2.5
314.12930	2.7
315.13654	1.9
316.10889	1.4
316.14417	1.7
323.10306	7.7
325.11810	27.5
325.15472	1.8
326.16434	1.8
327.13635	4.3
327.17242	1.7
328.10757	4.2
328.14499	3.4
329.15417	1.7
330.12549	1.9
330.15942	2.2
331.16785	1.7
337.11911	2.6
339.09821	1.2
339.13757	2.3
340.14413	1.6
341.11874	1.9
342.12363	9.3
342.15933	1.5
343.12918	7.4
344.13943	3.0
354.12097	1.4
354.16266	1.8
355.12994	2.6
356.13864	7.2
357.14487	13.0
358.15637	4.9
367.13138	1.8
368.14252	1.3
369.15143	1.0
370.11621	1.2
370.15674	6.1
372.17081	1.3
378.18192	1.7
380.14023	2.1
382.11771	5.9
383.12396	2.0
384.13199	6.0
384.17548	1.4
385.14117	2.8
386.14801	2.7
386.18793	3.2
390.18179	3.7
394.15585	1.8
397.14688	1.2
398.15009	21.0
399.15820	30.3
400.16312	3.0
401.13266	1.6
402.18323	1.6
404.16196	5.5
412.16577	3.1
414.18149	4.3
416.16046	21.6
417.16510	1.7
422.16486	2.4
428.16043	4.0
430.17502	4.7
440.15976	5.5
441.14194	1.8
446.17108	20.7
447.17520	1.3
448.18500	2.1
458.17123	54.6
459.17050	2.0
460.18781	3.2
461.17264	1.3
462.19281	1.3
478.19666	2.2
490.19910	10.0
520.20782	5.7
521.21252	1.3
522.22198	2.7
565.24152	2.7
567.25946	3.4
569.24066	10.4
575.22949	1.5
583.25287	4.3
592.39288	1.1
593.24066	12.2
611.25031	100.0
612.25037	5.4
626.24945	4.5
643.27716	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	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14676	0.5
62.59848	0.4
65.03937	1.4
67.05495	1.8
69.03436	0.5
69.07056	0.7
69.24940	1.7
69.25362	3.5
79.05483	2.0
80.05036	1.0
81.03428	0.7
81.07040	1.0
82.06563	0.8
85.06549	3.7
86.06058	0.6
86.06868	0.7
89.03931	1.6
91.05486	1.9
92.04985	0.7
93.05776	1.7
93.07053	2.5
94.06578	5.8
95.04958	0.8
95.07364	2.6
95.08599	1.1
96.08144	5.5
96.08702	0.8
97.06574	0.6
103.05524	0.9
105.05762	0.5
106.06565	1.2
108.04497	1.9
108.08136	8.8
110.06062	0.6
110.09703	8.2
116.04996	5.5
118.06599	0.8
120.04469	3.2
120.08131	6.5
122.06046	4.9
123.04421	0.6
123.06787	0.6
124.07563	2.5
132.04501	0.8
132.53619	0.5
134.06013	4.1
135.04387	0.6
136.07594	8.9
136.08556	1.0
137.09546	1.2
138.09138	9.6
144.04463	11.3
146.06023	4.7
147.04430	1.2
148.07574	3.4
150.43558	0.5
152.07089	1.5
160.03947	3.0
162.05548	5.7
163.03981	2.5
164.07071	1.7
165.09143	11.1
166.08473	10.4
172.03947	47.1
173.04297	0.7
174.05562	1.2
176.07066	3.5
178.04910	0.6
182.09723	1.4
183.09213	1.0
184.09917	0.8
185.10648	0.6
186.09268	1.0
188.07173	0.6
190.05013	11.7
196.07553	0.7
196.09892	0.8
197.10709	2.4
198.09294	0.6
199.08693	0.7
199.12302	2.3
204.06586	100.0
205.06953	1.2
209.10742	1.4
210.09212	1.6
210.11310	0.8
211.08699	4.2
211.12340	0.9
211.62599	0.5
212.09348	2.5
213.10242	1.3
221.10646	0.7
223.08621	1.6
223.12343	0.8
224.09467	1.6
225.10242	8.9
225.13953	0.5
226.10820	1.2
227.11800	12.7
235.08708	1.1
236.09430	1.3
237.10260	4.3
238.11017	1.3
239.11736	3.3
240.12325	1.1
241.09755	1.5
241.13347	2.5
245.12865	0.7
247.08713	0.7
248.09323	0.7
249.10167	3.1
250.11061	1.0
251.08089	0.7
251.11743	2.4
253.09789	5.4
253.13481	0.5
255.11258	1.5
257.08664	0.5
257.12921	1.0
261.10284	1.0
263.08286	1.2
263.11795	1.5
264.08990	2.7
265.09708	1.3
266.10690	1.0
267.11407	2.7
269.12881	10.7
271.10770	7.3
273.12347	6.0
277.09714	2.2
278.10309	0.7
279.11304	3.5
281.09164	1.5
281.12704	1.3
283.10788	4.7
284.11508	3.5
285.12308	6.1
286.13126	1.4
287.13925	18.0
289.12802	1.0
291.11172	0.8
293.09219	1.1
294.09930	0.7
295.10779	2.4
296.11624	0.6
297.12408	5.7
299.14081	3.5
300.11380	1.3
300.14932	0.6
301.12268	0.6
302.12982	0.7
307.10541	1.3
309.12399	1.1
311.10556	0.7
311.14258	1.1
312.11679	0.8
312.15005	2.6
313.12839	2.4
314.12900	3.0
315.13760	1.7
316.11136	1.1
316.14490	1.8
317.15344	1.2
318.15866	0.6
319.10889	1.1
323.10324	6.2
324.11078	0.6
325.11804	10.0
325.65601	0.5
326.13074	1.1
326.16595	1.7
327.13440	3.7
327.17340	1.7
328.11380	2.6
328.14212	2.8
329.11523	1.1
329.15146	1.9
330.12570	1.1
330.16046	2.2
331.16791	1.3
337.11877	1.5
339.13974	2.6
340.14362	1.4
341.11520	2.4
342.12442	6.2
342.16144	1.3
343.13095	4.9
344.13934	1.4
344.17825	0.6
354.12384	0.8
354.16312	1.2
355.13214	2.0
356.13989	5.6
357.14526	16.9
358.15457	4.7
367.13351	0.8
368.13919	1.4
368.17908	0.7
369.15054	0.7
370.11847	0.7
370.15656	5.3
371.16144	1.7
372.13034	0.7
372.17078	1.4
378.18079	0.8
380.14127	1.2
382.11841	4.3
383.12650	3.0
384.13235	4.2
384.17673	0.8
385.14151	2.3
386.14575	3.0
386.18903	2.3
388.16437	0.8
390.18094	1.9
394.15439	0.9
397.14288	0.7
398.15060	14.8
399.15808	21.7
400.16232	2.0
402.18158	1.6
404.16000	4.8
412.16580	1.5
414.18359	3.3
416.16086	13.6
417.16528	0.7
422.16733	2.0
428.16223	2.0
430.17944	2.5
440.16226	4.0
446.17172	14.4
447.17560	1.4
448.18677	1.6
458.17139	39.4
459.17340	1.8
460.18860	2.6
472.18213	0.6
476.17947	0.8
478.19629	1.6
488.18378	3.6
490.19788	11.6
492.21075	0.7
502.94849	0.5
520.20782	8.1
521.21051	0.8
522.22607	1.1
541.24158	0.7
565.24261	1.8
567.25989	3.1
569.23938	7.7
579.22131	0.9
583.25659	2.7
593.24048	8.0
611.25092	53.4
612.25165	2.5
615.27881	0.6
624.12024	0.7
643.27600	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	643.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56413	0.9
55.75726	0.8
65.03939	1.4
67.05463	1.0
70.71371	1.1
70.71702	2.5
71.94229	0.9
79.05487	2.1
88.33322	0.9
89.03909	1.5
90.40849	1.0
91.05479	1.3
93.07047	1.2
94.06551	4.3
95.07346	2.7
96.08134	3.8
104.45135	1.0
106.06541	1.7
108.08128	8.1
110.06022	0.9
110.09679	6.7
116.04990	3.1
120.04473	3.2
120.08102	5.3
122.05995	4.1
124.07599	2.2
128.93282	1.0
132.04439	1.3
134.06009	3.8
136.07605	8.0
138.09138	7.2
144.04446	10.6
146.06042	3.6
147.04430	1.1
148.07602	1.7
160.03960	2.0
162.05484	5.4
164.07106	2.3
166.08635	9.9
172.03947	49.4
174.05586	1.7
176.07063	2.4
182.08443	1.2
188.09157	1.0
190.04987	11.5
197.10809	1.8
199.12186	1.1
204.06572	100.0
210.09222	1.8
211.08699	2.6
212.09424	1.7
213.10153	1.3
214.10867	1.1
224.09402	1.0
225.10208	7.6
226.11006	1.4
227.11842	11.3
235.08624	1.5
236.09447	2.0
237.10178	3.5
238.10918	2.0
239.11763	3.2
249.10220	1.3
251.11855	3.0
253.09787	5.4
264.08990	1.7
265.09836	1.6
267.11295	2.6
269.12854	10.3
271.10834	6.9
273.12280	5.6
277.09891	2.2
279.11343	2.8
281.12762	1.1
283.10776	4.3
284.11526	4.0
285.12512	5.0
286.13144	1.2
287.10907	1.8
287.13895	18.0
295.10687	1.6
297.12387	6.7
298.00980	1.2
299.13901	3.8
313.12448	0.9
314.13098	1.5
316.10883	1.3
316.14426	1.5
323.10187	4.9
325.11850	7.7
326.16306	1.3
327.13470	3.0
328.10779	2.7
328.14371	1.5
329.15024	2.4
330.12018	1.0
330.15948	1.3
331.16666	1.4
336.02148	1.3
339.13483	4.0
341.12085	1.6
342.12354	6.9
342.16046	2.0
343.13019	3.8
355.13385	2.3
356.14029	5.3
357.14484	24.0
358.15527	4.9
367.13159	1.3
370.15475	3.6
380.13934	2.1
382.11890	3.4
383.12683	3.0
384.13351	3.7
385.14078	1.4
386.14685	1.4
386.18839	2.1
388.16275	1.3
390.18045	3.1
394.15237	1.4
398.15042	13.3
399.15796	20.1
400.16647	1.4
401.13641	1.2
404.16025	5.3
412.16437	1.3
414.18002	3.5
416.16022	13.4
417.16357	1.4
428.16275	1.5
430.17450	2.5
440.15903	4.1
446.17172	14.4
448.18320	2.0
458.17120	31.2
459.17542	1.3
478.19623	2.9
490.19681	11.7
565.23816	1.7
565.44507	1.1
567.25665	1.3
569.24121	6.0
583.25024	4.5
593.23871	7.1
611.25055	77.0
612.25629	5.0
643.27393	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81493	1.0
88.22620	0.7
92.04998	1.0
94.06569	3.4
106.06532	0.8
108.04505	1.6
108.08097	1.1
120.04476	3.5
120.08121	1.2
122.06040	2.0
123.04386	2.5
132.04456	1.0
134.06032	2.1
135.04358	1.1
136.07576	1.1
138.05508	2.5
144.04439	1.2
144.08084	0.9
146.06035	1.3
147.04414	3.2
148.03958	2.7
160.03967	4.3
162.05544	1.1
163.03926	3.1
166.05016	6.8
166.08589	0.9
167.07277	1.1
170.08449	1.1
172.03966	3.4
178.04988	0.8
180.08061	1.0
182.08325	1.7
182.09744	1.4
183.09164	1.8
184.09903	2.1
190.05032	3.0
195.09203	2.4
196.09933	1.2
197.10764	7.8
199.08707	4.0
199.12364	2.1
204.06589	5.3
210.07619	1.4
210.09399	1.4
210.11188	1.0
211.08647	5.0
212.09398	3.3
213.10173	1.1
222.07564	0.8
223.08652	4.1
224.09401	1.6
225.06744	1.3
225.10237	22.6
226.10994	1.0
227.08328	5.9
227.11772	19.7
235.08762	1.1
236.09358	1.4
237.10231	2.5
238.07300	2.3
238.11070	1.0
239.08206	1.7
239.11761	1.4
241.13327	1.1
251.08174	9.1
251.11702	1.5
252.08896	1.9
253.09789	17.3
255.07706	10.8
255.10269	1.0
255.11362	1.1
267.07611	1.1
267.11356	2.0
268.08344	1.0
269.09836	1.6
269.12857	25.2
270.10172	1.0
271.10785	24.5
273.08633	8.1
277.09909	1.0
279.07666	6.9
279.11093	1.4
281.09232	12.5
283.07224	1.1
283.10715	2.5
284.11545	1.7
285.12286	4.9
286.13071	2.0
287.13937	10.8
295.10776	1.6
297.09290	1.2
297.12354	5.4
299.10330	3.4
299.13989	2.8
301.12314	1.1
302.12851	2.0
307.07233	9.5
309.08511	1.2
311.10242	1.7
313.11707	5.6
314.12848	2.0
315.10391	1.1
316.10858	1.5
316.14526	1.9
317.15100	1.3
318.12411	1.1
321.12363	0.9
323.10245	2.8
325.08188	12.1
325.11752	0.8
327.09793	1.2
328.10812	2.8
328.14511	0.8
329.11597	1.4
330.12408	2.8
331.16910	1.0
339.09729	5.3
339.13287	1.2
340.14447	0.9
342.12296	3.0
343.09512	1.7
343.13068	2.2
343.74661	0.8
344.14044	1.8
352.14670	1.0
354.15903	1.1
356.14011	2.6
357.14734	1.8
358.15558	1.7
365.11313	1.5
366.97028	0.9
370.11703	1.7
372.13342	2.0
378.18301	1.0
382.11859	1.4
384.13431	3.1
386.14874	3.3
388.12766	1.3
390.18188	1.3
392.12097	1.0
394.14743	0.9
398.14996	3.7
399.15646	2.9
400.16379	1.3
404.16034	3.2
414.18359	1.3
416.16772	4.1
420.12100	1.9
422.16672	0.9
428.15887	2.0
431.14645	1.1
433.13062	1.4
434.13297	1.5
435.14404	2.6
440.16452	1.4
443.15320	0.8
446.17056	5.9
449.15857	1.2
458.17737	4.7
463.13950	3.4
465.19019	1.0
477.19418	1.6
478.16397	1.8
487.18011	0.9
488.17874	0.9
490.19260	0.9
491.17062	2.6
505.18564	3.5
506.19223	1.0
518.15698	1.1
521.21631	2.2
523.19830	1.9
525.20764	1.8
533.18140	3.8
539.22791	1.9
547.19434	1.0
547.73547	0.9
549.20990	2.8
551.18909	6.6
565.20770	2.8
567.22205	8.9
569.20288	17.3
575.19189	6.5
593.20276	20.1
609.44873	1.1
611.21332	100.0
612.21564	3.1
643.27142	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	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04610	0.4
67.96239	0.5
70.02552	2.5
79.05423	0.8
81.06993	1.0
91.05420	0.6
93.06953	0.6
138.86406	0.6
291.43375	0.6
345.42694	0.6
374.62482	0.6
396.12280	1.6
397.12994	1.3
399.14218	0.7
410.13861	3.4
411.14633	6.2
412.15131	3.8
413.15732	3.2
423.14969	0.9
424.10513	1.3
424.16205	3.2
425.16245	12.2
426.16916	9.3
427.17538	2.0
428.18445	1.7
438.12283	3.5
439.13611	15.2
440.13370	1.1
440.19196	4.7
441.19299	34.3
442.19373	3.0
452.14368	4.7
453.15295	17.9
454.15866	4.9
465.15829	0.8
466.11862	0.9
467.17200	26.7
468.17905	17.8
469.18893	12.2
470.18875	0.8
471.16663	1.2
472.17526	0.8
480.16922	0.9
481.14673	15.5
482.15390	5.3
486.18744	0.9
495.16132	4.8
496.17111	23.7
497.17822	3.7
499.20337	0.9
509.18143	1.9
512.21149	1.0
514.22083	1.9
523.20026	1.0
527.23676	2.6
528.19067	0.7
536.14435	0.6
537.19714	0.9
539.19305	1.0
542.21667	0.7
555.22443	31.1
556.22455	2.1
568.19690	0.8
583.21912	100.0
584.22144	8.4
587.24982	2.0
600.22308	0.8
611.21246	2.2
615.24481	13.7
616.25366	0.7
643.23859	80.5
644.24005	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	643.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.05501	2.6
67.05520	7.7
69.07066	2.9
71.04993	1.3
71.08623	1.2
71.65563	1.2
77.67166	1.2
79.05496	7.0
81.07066	9.0
83.08649	1.4
91.05506	6.2
93.07050	6.5
95.04961	1.7
95.08611	5.4
96.66624	1.3
97.06516	1.8
105.07043	5.4
107.08603	4.0
109.06507	1.5
109.10206	3.2
117.07050	1.9
119.08610	4.7
121.10167	3.8
125.09680	1.2
129.07056	2.3
131.08578	3.2
131.80594	1.2
133.06503	1.4
133.10165	3.3
135.11726	1.3
145.10199	1.6
159.11676	1.4
173.13339	1.4
195.20152	1.2
215.93224	1.2
259.26630	1.1
331.21609	1.2
335.25809	1.8
410.13742	2.5
411.14471	5.2
412.15167	3.9
413.16153	2.0
424.15665	2.6
425.16116	9.7
426.16840	7.9
427.17181	2.1
438.12976	4.8
439.13275	9.0
440.18335	3.7
441.19351	26.7
442.19699	4.1
452.14612	6.3
453.15100	9.9
454.16348	3.6
467.17099	22.0
468.17838	15.9
469.18719	12.7
470.19366	3.0
478.16116	1.7
481.14740	15.1
482.15738	5.3
495.16516	11.8
496.16977	53.0
497.17853	5.7
509.18188	2.2
514.17731	1.8
537.19214	2.0
555.22461	20.4
568.19348	1.9
583.21930	100.0
584.22125	13.2
611.20691	3.5
615.24292	6.9
625.43945	2.8
643.23584	85.6
644.23407	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	643.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
65.03956	2.5
67.05511	3.4
69.42229	10.1
79.05495	11.0
80.05026	2.6
83.04980	3.0
91.05470	7.7
93.05801	1.8
93.07048	6.7
94.06562	4.6
95.04929	1.7
95.07307	1.9
96.08128	5.8
97.02901	1.6
97.06528	2.0
103.05487	6.9
103.06042	1.4
105.05748	2.3
108.04492	2.9
108.08135	13.5
110.09674	5.6
111.04434	1.7
116.04973	2.8
118.06587	2.8
119.04950	1.5
119.07314	2.6
120.04462	4.6
120.08113	38.8
121.02883	2.3
122.06058	7.7
124.07602	3.3
134.06041	2.5
134.09619	1.9
136.07590	28.5
138.09149	10.2
139.03914	6.0
143.08578	1.2
144.04410	3.6
146.06009	14.6
147.04448	6.6
148.07581	100.0
150.09154	3.5
160.03931	3.8
162.05540	2.7
162.09105	1.3
163.03920	4.6
164.07056	5.9
164.10741	3.1
166.08630	13.4
167.03412	4.2
167.07137	2.0
172.03940	15.8
174.05518	2.1
180.10168	7.6
182.09590	2.3
185.04443	2.0
190.05023	9.6
191.07259	1.4
196.07651	2.4
197.10789	1.6
198.09164	2.7
199.06126	4.1
199.12297	1.9
204.06581	20.4
208.09689	4.1
209.10645	1.8
210.09134	4.4
211.08514	2.2
212.07126	2.2
214.08644	2.5
224.07144	5.0
224.09303	2.6
225.08284	1.4
225.10190	8.0
226.08614	7.4
227.11748	8.3
228.10268	3.3
234.07535	1.7
236.09460	2.0
237.10182	3.2
238.08713	8.4
238.10741	1.9
239.11870	2.7
239.44269	1.7
240.06561	6.0
240.10313	2.1
242.08171	5.7
249.10347	2.1
251.11855	3.0
252.06490	1.5
252.08684	25.7
253.09659	3.2
254.08115	20.2
256.09680	8.2
263.11801	2.5
264.08914	2.8
265.09705	3.0
266.08054	8.9
267.11481	2.8
268.06161	1.7
268.09677	7.8
269.12830	14.0
270.07419	3.4
271.10852	5.5
273.12170	1.9
277.31369	1.4
279.11154	3.7
280.06033	3.5
282.07651	5.7
282.10944	1.3
283.10831	3.7
284.09106	5.6
284.11758	2.6
285.12357	3.9
287.14099	10.6
294.07544	9.3
295.11093	1.7
295.14606	2.1
296.09164	6.4
297.12347	6.2
298.10928	2.1
299.13986	3.3
300.08640	6.8
300.11557	1.7
312.08609	5.9
313.12643	1.6
314.10080	3.8
316.11646	1.9
322.07217	10.9
323.10309	5.5
325.11874	13.2
327.13599	3.2
328.07809	1.9
328.11176	3.2
335.10107	1.8
340.08096	5.9
341.11859	1.9
342.09238	2.8
342.12894	3.2
343.13248	2.5
354.09686	9.9
354.16183	1.5
355.13589	1.6
356.13858	4.6
357.14917	3.2
358.09253	1.6
358.15363	2.5
360.10526	11.5
367.13452	1.5
369.11575	1.8
370.15469	2.4
372.10794	8.2
373.11377	2.2
382.11951	2.5
383.12854	2.3
384.13208	2.6
386.12433	2.8
387.13504	3.3
389.14767	2.9
390.18216	2.0
392.13354	8.9
398.14938	13.7
399.15771	15.8
400.16309	1.9
401.14490	3.2
404.16135	2.2
414.18207	3.7
416.15866	9.5
419.16333	1.9
428.16153	2.4
429.14517	3.9
431.15689	2.0
432.12820	1.6
440.16046	4.6
446.16959	10.7
447.15448	8.0
458.17163	29.0
461.17004	3.9
475.15063	13.3
479.18152	3.8
489.16492	3.2
490.19528	3.1
507.17700	9.4
520.20648	2.2
521.19617	1.5
523.21503	1.7
539.20105	1.9
565.17456	2.9
567.19604	20.9
569.23517	5.0
579.16028	2.1
583.25354	2.7
593.16394	2.5
593.24084	4.2
601.61133	1.6
611.17963	26.9
611.25061	30.4
625.19867	3.2
626.24414	2.5
660.18506	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	642.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92060	1.2
55.05516	4.1
57.07082	30.9
65.62003	1.2
67.05504	3.1
69.03414	3.2
69.07067	6.9
69.29610	9.7
69.30009	1.6
70.84979	1.1
71.08638	29.1
73.06571	8.2
79.05490	2.0
81.07071	3.5
83.08624	5.3
84.08146	1.9
85.10188	20.0
87.04472	8.5
89.06039	100.0
90.24769	1.1
91.05504	1.5
93.07046	3.2
95.04965	1.5
95.08619	2.9
97.10178	4.9
105.07030	2.0
107.07069	3.1
109.10152	1.6
111.11716	4.5
112.07607	3.4
113.13316	1.4
117.09157	6.8
119.08576	1.4
125.13293	2.1
130.08638	3.1
131.07048	1.8
133.08621	56.5
135.10185	1.2
140.07053	3.9
141.16365	1.5
175.09657	1.6
177.11230	23.5
195.08540	1.0
211.24280	2.8
221.13950	3.7
239.14935	1.3
255.26921	1.9
282.37769	1.3
283.17780	1.2
299.29544	6.3
343.32068	2.9
371.22797	1.5
415.25281	4.4
624.44366	1.5
625.48865	5.2
642.51129	1.4
643.25171	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	642.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.4
57.03419	1.5
60.72956	1.3
62.06081	3.1
69.03404	1.7
70.06581	1.9
71.58969	2.6
75.97594	1.3
79.05486	4.5
79.51625	1.5
85.02915	6.6
89.03911	2.6
91.05491	6.3
93.07042	3.9
95.04980	3.4
97.02907	1.7
103.05459	5.9
105.07021	17.5
106.04182	1.5
107.04952	8.8
115.05445	4.0
117.03376	4.0
118.04159	1.7
119.04939	4.1
121.06499	4.6
123.04430	25.0
128.06151	1.3
129.07021	2.3
130.06573	2.9
131.04898	7.6
133.06506	15.2
134.03592	1.9
135.04439	9.1
141.06996	1.4
143.06078	1.8
145.02837	5.4
145.03894	1.3
145.06447	2.3
147.04390	10.5
147.11761	1.6
148.05075	2.5
149.06035	8.8
152.06154	1.5
153.07028	5.4
154.06198	2.0
157.06494	2.8
158.07274	1.6
159.04417	3.1
161.05988	44.8
163.03926	28.1
165.06917	3.0
167.07063	25.6
173.05943	1.8
177.05493	12.9
178.07796	8.1
179.07198	1.4
179.08614	5.1
180.05638	4.7
180.07776	2.3
181.04959	2.7
181.06487	14.5
181.08057	1.6
181.08606	1.8
182.09442	1.8
184.05128	2.3
189.07018	8.9
190.07777	2.6
191.07053	3.0
191.08565	2.3
192.07848	3.5
193.08615	49.3
193.10138	4.3
195.06467	5.9
195.08078	2.3
197.06015	3.3
198.06758	2.5
201.66818	1.5
202.07867	2.3
203.08543	7.6
204.17421	2.2
205.06497	8.0
206.07297	13.5
207.08035	8.1
208.05209	4.6
209.05963	5.0
209.08095	9.9
209.09676	1.6
210.06718	3.9
210.08899	8.7
211.07527	2.1
211.09555	1.5
212.04701	3.1
213.05309	1.6
217.06535	4.1
217.08464	2.1
218.07289	3.2
219.08078	9.2
221.05968	3.5
221.09573	9.0
222.06798	2.9
223.07562	5.3
224.08366	10.6
225.05438	5.1
226.06226	7.0
227.07027	32.5
229.05058	2.3
231.08034	5.8
233.05962	4.8
234.06758	22.4
235.07526	25.0
237.05464	4.6
237.09155	5.6
239.10666	4.2
241.08578	18.4
243.06467	1.8
246.06818	2.3
247.07591	7.2
249.09128	28.9
250.06291	7.0
251.07007	9.9
252.07840	12.1
253.08585	2.4
254.05815	2.0
255.06523	12.1
257.04376	2.2
261.05371	2.0
262.06241	4.7
263.07022	24.9
263.09595	2.6
264.07700	2.6
265.08633	4.6
267.10156	11.6
269.08078	17.4
271.06033	13.2
272.06708	4.4
275.07047	2.1
277.08545	19.9
278.05789	8.3
279.06540	6.5
280.07437	7.5
281.08041	6.7
286.08344	27.9
287.09134	69.8
293.08087	23.9
294.08932	2.8
295.09677	14.1
303.06577	1.5
307.05923	1.8
310.95425	1.4
311.09189	9.9
321.07513	5.1
325.10504	3.5
327.12277	2.1
339.08649	100.0
353.10199	33.1
371.11243	13.7
377.22409	3.5
378.22589	8.7
445.07166	1.6
462.99142	1.6
515.36926	1.5
531.16339	2.2
563.19025	3.2
642.27875	6.4
642.43829	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	642.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73500	2.5
61.80176	2.3
62.98535	2.3
69.45133	4.6
69.45534	13.9
79.05499	6.9
80.04990	2.7
81.07053	4.5
83.65659	2.4
91.05479	6.5
93.07062	5.7
94.06567	3.0
95.08630	2.7
98.51305	2.4
103.05457	7.7
108.08122	8.6
109.53302	2.7
118.06519	3.5
119.04926	2.8
119.08629	2.3
120.08112	33.1
122.06023	2.7
136.07579	18.4
138.09106	2.9
145.02859	3.3
146.06055	3.8
147.04414	3.4
148.07590	100.0
152.07132	3.7
163.03900	6.3
177.05479	6.7
204.06546	6.2
208.55530	2.7
217.12471	2.7
225.10263	6.0
227.08160	6.1
234.07748	3.3
237.10255	18.8
239.08180	7.9
239.11755	4.8
241.09798	4.7
251.08241	3.5
252.08699	22.3
253.09868	12.0
255.11250	4.5
255.67696	3.0
257.17007	2.7
260.30225	2.4
265.09772	27.1
266.06894	2.9
267.07553	3.4
267.11310	5.4
269.09290	4.1
275.08777	2.8
279.07657	3.3
279.11243	3.1
281.09259	18.7
283.10797	10.9
293.06689	2.5
293.09290	23.6
295.10767	8.4
299.10400	4.0
309.08722	4.2
311.10269	21.4
321.08743	10.0
326.85434	2.7
327.09833	13.5
339.09802	47.4
341.11484	4.2
353.11331	8.7
357.14542	3.0
359.12329	17.3
371.12387	38.7
384.13217	3.2
385.14133	3.0
385.46921	2.9
400.16446	5.3
418.17831	3.5
446.17072	5.4
459.17422	2.9
474.16580	13.9
488.18030	2.9
492.17538	6.8
506.19482	12.6
524.20404	4.1
534.18951	13.0
550.18237	9.9
566.21210	8.5
578.17761	87.7
592.19464	2.9
610.20465	17.7
619.30908	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	642.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87897	1.7
55.43477	2.0
66.49026	1.7
70.98888	2.0
70.99228	4.1
72.44823	1.8
72.77892	2.1
79.05489	4.5
80.05032	3.4
83.68393	1.8
91.05482	2.9
93.05730	2.2
93.07036	5.5
94.06570	5.5
103.05457	4.8
108.08130	7.3
116.04986	2.5
119.07316	2.3
120.08117	35.2
122.06056	10.7
136.07579	16.0
138.05507	2.7
138.09125	2.1
144.04436	2.5
146.05989	4.4
148.07581	100.0
152.07062	4.6
162.05502	2.4
164.07050	2.1
166.08662	6.1
172.03975	15.8
174.05586	3.1
190.04922	6.1
204.06570	16.8
206.08194	2.1
208.09688	3.0
211.08643	1.9
223.08701	5.3
225.10255	3.5
227.08087	3.5
237.10228	13.4
238.10889	2.9
239.08163	7.2
239.11864	3.1
241.09692	2.8
249.10277	3.5
251.08191	7.3
251.11884	2.9
252.08696	16.9
253.09741	10.4
253.49377	2.0
255.07729	1.9
255.11435	3.2
264.08957	4.7
265.09747	28.8
266.10513	5.4
267.07635	2.9
267.11374	7.4
278.06793	2.0
279.07703	14.2
279.11227	8.9
281.09247	15.2
283.10895	9.0
287.10486	3.4
293.09207	25.0
295.10760	10.0
297.12485	3.1
299.10211	3.7
307.10815	7.1
309.08737	5.4
309.12277	2.3
311.10345	19.6
313.11966	2.0
315.13647	2.3
316.34763	1.8
321.08789	19.0
325.11871	7.0
327.09827	14.7
327.13123	2.6
336.08878	2.6
339.09787	38.3
339.13507	2.6
341.11414	5.3
353.11435	12.0
359.12537	17.3
368.10889	2.2
371.12448	29.1
385.14203	3.0
400.16821	3.7
411.11853	12.6
418.62833	2.2
428.15955	2.7
446.16901	5.2
456.15933	3.0
474.16479	12.4
488.18079	3.9
492.17404	4.1
506.19150	14.4
516.17181	2.6
524.20398	3.2
534.18713	11.8
550.18237	5.8
560.16443	3.7
566.21326	11.6
578.17700	67.7
592.19501	10.3
610.20087	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	642.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81770	0.8
53.03958	1.6
55.01860	1.2
67.05501	1.1
69.36169	8.0
79.05504	6.7
80.05009	2.4
81.03436	0.8
85.83442	0.8
91.05466	4.3
93.07033	6.0
94.06572	2.3
95.04993	1.4
95.08600	1.0
97.02863	1.2
97.07694	0.8
98.06055	0.9
103.05489	5.9
105.05777	1.7
108.08115	7.8
110.09686	3.2
118.06550	2.1
119.07353	1.9
120.08112	33.2
121.06570	0.9
122.06030	3.9
122.09683	1.3
125.78228	0.9
136.07587	12.5
138.05455	1.6
138.09048	1.9
147.04384	5.1
148.07581	100.0
149.07957	1.0
163.86903	0.8
164.07072	2.6
165.55164	0.9
166.05057	1.1
166.08617	5.4
172.03940	1.1
180.13884	1.1
204.06599	1.3
208.09821	2.0
208.13359	2.8
209.10791	1.4
211.08713	2.2
212.16434	3.1
213.10219	2.1
222.07712	1.1
223.08640	5.6
224.09402	1.7
225.10257	3.6
226.14386	4.4
227.08154	4.7
235.08592	1.3
237.10248	16.8
238.10899	1.6
239.08144	6.5
239.11787	3.2
241.09796	5.2
249.10234	2.1
251.08182	5.1
251.11772	0.9
252.08694	22.6
253.09781	11.2
254.10298	1.2
255.11252	2.7
265.09744	31.7
266.07559	0.9
266.10428	2.8
267.07657	3.8
267.11331	7.4
269.09210	2.5
277.09915	2.0
279.07755	1.8
280.08392	1.0
281.09241	18.0
283.10815	10.6
287.10306	1.9
293.09201	25.0
294.09891	2.4
295.10809	14.0
297.12482	1.0
299.10150	3.9
301.11990	1.0
302.12875	1.3
307.10855	1.3
309.08701	3.0
311.10260	24.3
313.11783	1.0
315.13626	1.0
321.08688	11.5
325.11725	1.7
327.09775	14.8
330.16025	1.1
335.10199	1.0
339.09778	49.5
340.10126	1.6
341.11414	3.6
343.13034	1.3
344.13898	1.5
353.11273	6.5
356.13855	1.5
357.15027	1.5
358.15445	1.3
359.12415	16.2
371.12396	35.3
372.12781	1.2
372.17346	1.7
384.13446	1.9
385.14059	2.1
386.14569	1.7
394.25891	3.5
400.16910	4.0
402.18552	1.0
418.17667	2.3
428.15982	3.5
430.17490	1.5
446.17010	5.9
464.17770	1.1
474.16577	13.4
478.19553	1.3
488.17947	1.9
492.11395	1.0
492.17880	6.9
506.19202	11.5
524.20203	2.3
532.16840	1.4
534.18695	14.2
550.18024	7.5
560.16486	3.2
566.21503	8.0
576.14758	0.9
578.17712	81.7
579.17389	1.8
592.18976	2.2
610.20245	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	641.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.3
52.61493	3.1
53.03936	10.3
55.01862	14.1
55.05269	5.2
55.05513	71.4
57.03428	14.7
57.07067	10.9
57.59667	2.8
59.04995	4.6
65.03941	6.6
67.05508	88.4
69.03430	12.5
69.07072	48.8
71.04990	15.6
71.08621	6.0
71.58862	4.7
79.05067	4.6
79.05497	92.0
81.03411	10.8
81.07058	100.0
83.04960	10.8
83.08618	38.6
85.06536	5.7
89.06010	5.2
90.11123	3.3
91.05483	75.8
93.07050	89.1
95.04980	16.4
95.08047	4.7
95.08607	56.5
97.02891	10.3
97.06527	9.7
97.10175	38.9
99.08091	3.8
105.04574	3.9
105.06378	6.1
105.07031	75.9
107.04932	9.5
107.08602	57.5
109.06523	13.3
109.10148	36.8
111.08094	10.0
115.05409	7.8
117.07024	33.0
119.08583	65.3
121.06491	6.3
121.10148	32.6
123.08046	9.1
123.11703	10.6
125.09630	35.3
128.06210	6.0
129.05557	3.5
129.07024	28.3
130.07776	4.2
131.08568	49.0
133.06516	6.7
133.08606	5.6
133.10139	40.2
135.08011	10.5
135.11723	18.2
137.09634	9.7
141.06998	5.0
142.07782	5.2
142.53456	3.0
143.08578	27.2
145.06413	3.9
145.10135	28.9
147.08046	7.3
147.11694	33.7
149.09607	9.8
149.13249	11.7
151.11147	7.1
153.08995	3.3
155.08519	16.6
157.10130	24.7
159.08069	5.8
159.11688	24.3
161.09583	7.1
161.13266	27.0
162.10320	3.2
163.11143	8.9
163.14731	5.9
167.08575	6.7
169.10101	18.0
171.11685	21.6
173.13208	16.8
175.11218	5.5
175.14813	11.6
177.12726	3.7
179.08499	5.2
181.10153	9.3
183.08107	3.7
183.11685	18.6
185.13293	18.8
187.11131	5.5
187.13263	4.0
187.14818	4.4
189.11241	17.7
195.11702	11.3
197.13254	13.6
199.14864	8.8
201.16367	5.8
205.12247	4.9
209.13268	13.1
211.14799	7.8
215.17967	4.2
221.13368	3.5
222.13737	3.2
223.13185	17.0
224.77296	3.4
225.16389	7.4
227.12819	23.6
227.17947	4.1
233.15494	3.2
233.37682	3.5
237.16422	5.1
239.14253	3.3
241.19527	19.9
257.19016	8.1
259.20621	43.9
260.20645	3.5
273.18494	16.2
275.19998	13.4
277.21796	4.3
285.22266	7.3
289.18057	11.3
291.19550	85.8
315.23074	4.8
333.24139	28.0
335.25708	4.6
349.23822	6.3
365.23132	27.3
379.30252	7.3
381.27798	6.3
511.34174	4.3
525.35583	4.3
529.34839	8.2
531.38324	8.8
549.39478	4.9
567.40448	4.6
605.42017	18.8
623.28217	13.1
623.43042	89.7
641.44104	45.4
642.44989	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	641.2614
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
53.03944	2.5
53.65985	1.3
55.05527	2.1
61.93095	1.2
64.56511	1.2
65.03938	2.9
67.05491	5.2
69.07072	1.4
69.25117	9.6
69.25548	5.5
72.67095	1.2
79.05493	7.1
81.03413	1.6
81.07056	5.5
82.06599	1.5
85.02901	1.8
91.05466	4.1
92.04968	2.0
93.05785	1.8
93.07060	3.7
94.06571	10.6
95.04978	4.0
95.07363	1.8
95.08624	2.4
96.08134	3.3
104.05005	2.2
105.07015	3.1
106.06577	3.3
107.08619	2.2
108.04470	2.4
108.08132	20.9
109.02924	1.8
109.10211	2.3
110.09688	3.8
111.12016	1.4
116.04996	5.7
118.06541	2.4
119.08582	2.2
120.04488	7.5
120.08110	6.4
122.06053	7.6
124.07616	8.7
127.03931	2.1
129.07034	1.6
134.06030	7.9
136.07599	31.9
137.55692	1.6
138.09135	4.1
144.04433	12.8
146.06010	7.8
148.07610	2.3
150.05476	3.1
152.07085	3.9
157.10120	1.6
160.03973	5.2
162.05478	4.9
163.03922	8.8
164.07118	5.9
166.08672	4.2
170.09724	3.3
172.03954	46.4
173.04549	1.6
174.05583	2.9
178.04993	13.1
180.08052	1.7
182.08362	3.4
182.09770	1.8
190.05034	23.8
191.05702	2.4
195.09308	1.7
196.07838	1.4
197.10780	5.6
198.09224	5.6
199.12360	3.5
204.06572	77.5
209.10852	3.4
210.09370	2.9
210.11433	1.5
211.08727	6.2
211.12273	2.4
212.09431	4.3
213.10207	2.6
215.11893	5.9
221.10774	2.2
223.08699	4.8
223.12381	2.0
224.09473	3.9
225.10239	21.5
226.08804	2.6
226.11032	4.3
227.08180	1.5
227.11813	19.0
235.08711	3.9
236.09503	5.0
237.06676	1.8
237.10312	12.0
238.11052	2.9
239.08170	3.5
239.11864	9.9
241.09746	3.1
241.13341	3.8
243.11353	24.7
247.08763	1.9
249.10277	8.5
250.11105	2.6
251.08194	5.8
251.11771	7.7
252.08891	3.3
253.09828	9.4
253.13664	2.2
255.11292	2.5
257.12863	5.8
263.08295	1.8
264.08969	5.2
265.06372	1.9
265.09821	6.4
266.10596	2.5
267.11304	15.6
269.09912	2.9
269.12888	30.3
271.10791	30.0
271.13950	2.2
275.20139	2.3
277.09662	8.1
278.10596	1.9
279.08167	1.9
279.11328	8.8
280.11951	1.6
283.10849	4.9
284.11554	4.9
285.12350	42.2
287.13907	15.3
293.09293	3.0
294.09964	2.8
295.10794	6.1
297.12305	15.9
300.11743	1.9
301.12097	3.1
302.12839	2.5
305.09222	3.9
307.10883	3.0
310.09427	1.9
311.10468	6.1
313.12070	4.4
314.12906	3.1
315.13708	3.9
316.10974	2.7
316.14258	2.6
317.15274	3.1
323.10294	32.5
325.11810	28.4
328.10800	5.0
328.14377	2.1
329.11829	3.7
329.15421	1.8
330.12360	3.0
331.16788	2.9
337.11719	2.0
339.09940	2.0
339.13559	3.1
340.14630	3.0
341.11407	8.0
342.12527	7.5
342.16211	1.8
343.12872	11.0
344.14041	3.1
351.09818	2.4
353.11780	2.1
354.12424	3.2
354.16272	2.8
355.13165	4.6
356.13824	7.6
356.17856	1.8
357.14502	10.5
358.15521	5.6
364.73209	1.8
367.13449	2.7
368.14038	3.4
370.11441	2.2
370.15482	5.3
382.11792	2.1
382.16040	2.0
383.12680	4.3
384.13535	2.0
385.14084	3.4
386.14963	3.8
390.18079	4.7
394.15335	1.8
396.13260	2.5
398.14954	13.8
399.15982	11.6
400.16580	2.6
404.16037	4.2
412.16730	2.6
414.18509	2.8
416.16104	17.4
417.16919	3.1
422.16980	4.3
428.16205	5.4
430.17801	2.8
438.14410	3.3
440.16031	6.1
446.16989	11.4
456.15466	9.5
458.17130	22.2
459.17929	1.8
476.18448	4.0
488.18158	5.3
490.19000	3.5
493.23132	1.7
563.22650	3.4
565.24225	6.8
567.22430	14.8
568.23090	2.0
581.24237	7.3
591.22479	18.5
609.23517	100.0
610.23730	3.6
623.25061	4.0
641.26208	65.7
642.26495	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	641.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75267	1.3
65.03943	2.0
65.21268	1.4
67.05502	3.7
69.03412	1.5
71.59492	1.9
79.05490	2.4
81.03426	1.5
81.07059	3.1
83.08620	1.1
85.02933	1.5
86.26997	1.4
89.03917	2.0
93.05854	1.2
93.07042	1.5
94.06572	8.3
95.04942	2.2
97.02870	1.5
105.07037	2.2
108.04467	2.0
108.08146	9.7
109.10181	1.9
116.04981	3.6
119.08564	2.1
120.04485	5.8
122.06074	7.2
132.04497	1.8
134.06038	2.6
136.07591	22.8
144.04462	6.1
146.06035	9.3
148.07498	1.3
150.05563	2.4
150.61494	1.4
152.07050	2.1
152.61853	1.4
160.03940	3.8
162.05536	4.3
163.03937	2.6
164.07066	5.3
165.09108	4.5
172.03955	24.1
174.05539	2.8
176.07088	3.2
180.08171	1.7
183.09244	1.5
184.09972	2.0
190.05023	13.6
191.05731	1.8
195.09200	2.2
196.09883	1.4
197.10802	5.5
199.12318	4.5
204.06590	36.7
209.08189	1.3
209.10751	2.1
210.11476	1.7
211.08693	4.8
211.12343	2.8
212.09468	3.2
213.10243	2.1
214.37230	1.3
221.10799	1.4
223.08633	2.7
224.09454	3.1
225.10204	15.0
226.11084	3.2
227.11824	22.1
236.09531	2.0
237.10289	4.2
238.11060	3.8
239.11827	8.9
241.09613	3.3
241.13431	1.9
249.10214	3.3
250.11076	1.5
251.11798	3.4
252.08936	2.3
253.09711	8.6
255.11302	1.9
263.08249	2.8
263.11725	2.0
264.08990	4.9
265.09653	5.3
267.11371	10.7
269.12881	26.6
271.10776	24.7
277.09747	5.0
279.11334	4.2
281.09213	2.6
283.10718	6.5
284.11636	5.3
285.12350	8.4
286.13181	1.7
287.10535	3.4
287.13867	30.3
293.09283	3.3
294.10022	3.3
295.10730	7.1
297.12317	7.6
302.12866	2.2
304.14465	1.7
305.09146	1.9
311.10327	1.6
312.11969	1.9
312.15271	1.6
313.12173	4.2
314.12894	4.3
315.13730	3.9
316.14255	2.6
317.15222	1.8
321.08435	1.4
323.10291	30.9
325.11932	5.2
326.12958	1.5
326.16507	3.2
328.10760	3.4
328.14392	3.5
329.11758	4.4
330.12451	2.9
331.13257	1.9
331.16928	1.9
340.14371	1.7
341.11371	8.5
342.12274	10.8
343.13211	6.0
344.13959	2.4
354.16168	2.0
355.13028	6.3
356.13892	7.7
357.14914	1.4
358.15619	7.4
365.11621	2.1
370.15710	6.6
376.16873	1.5
380.13766	1.7
382.11746	7.1
383.12692	4.7
384.13065	6.3
385.14081	3.6
386.14896	4.2
386.18851	3.4
388.16696	1.7
398.15030	24.6
399.15793	29.3
400.16357	4.2
404.16074	6.8
412.16586	3.9
414.18146	4.5
416.15997	14.7
417.16769	2.8
422.17102	3.4
428.16129	5.7
430.17789	2.4
440.16159	7.1
446.17068	15.0
458.17136	53.0
459.17560	3.0
488.18201	2.7
490.19650	13.2
518.19397	4.8
520.20569	2.1
537.21338	1.7
539.23132	1.4
565.24554	6.1
567.22382	16.1
581.23865	5.7
591.22229	15.1
609.23468	100.0
610.23547	4.7
641.32428	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	641.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86997	1.3
53.03939	1.5
55.01842	1.0
55.05505	2.9
65.03942	2.1
67.05501	6.2
69.26420	5.7
69.26852	5.9
71.04990	1.4
79.05491	4.8
81.03394	1.5
81.07048	4.8
83.08629	1.2
83.74664	1.3
85.02905	1.6
88.66618	1.2
89.03938	2.8
91.05488	4.8
93.05779	1.9
93.07052	3.9
94.06579	9.5
95.04986	2.1
95.08619	2.4
96.08149	2.8
96.37061	1.1
97.06522	1.3
104.04964	1.3
105.06995	2.6
107.08566	2.8
108.03603	1.1
108.04460	3.3
108.08127	16.5
109.57240	1.0
110.09684	3.4
111.43358	1.1
116.04990	6.1
120.04455	9.0
120.08128	4.4
121.10092	1.5
122.06038	11.9
122.75092	1.3
123.07982	1.5
124.07566	5.6
132.04529	1.3
134.06021	7.4
135.04474	2.3
135.11728	1.6
136.07581	29.2
138.09148	3.5
140.97705	1.3
144.04456	8.5
145.02827	1.1
146.05981	6.2
148.07585	1.8
152.07065	4.3
158.06133	1.6
160.03976	4.4
162.05533	4.9
163.03903	4.0
164.07060	4.6
172.03938	36.9
172.07645	2.0
173.04678	1.5
176.07106	1.8
178.04982	9.2
182.09685	1.9
186.09160	1.2
187.12318	2.2
190.04987	21.9
191.05771	2.6
194.09740	1.4
196.09947	1.8
197.10765	5.0
198.09251	5.9
199.12285	3.1
200.09344	1.6
204.06566	70.1
205.06856	1.8
209.10722	1.7
210.07735	2.9
210.09489	1.6
211.08687	6.0
211.12314	2.2
212.09438	2.5
213.10313	2.2
215.11827	4.3
223.08713	3.9
223.12326	2.4
224.09381	2.7
225.10242	17.4
226.08871	1.9
226.11060	3.8
227.11780	20.4
235.08754	3.1
236.09467	4.5
237.10196	8.2
238.11116	3.6
239.08163	2.2
239.11775	8.3
241.09697	2.7
241.13478	2.5
243.11308	19.6
249.10257	7.4
250.11014	1.8
251.08162	3.1
251.11928	5.8
252.08984	1.9
253.09695	11.1
255.11340	3.7
257.12863	2.6
264.08917	3.5
265.06351	1.2
265.09747	4.4
266.10504	1.9
267.11365	12.9
269.12842	30.7
269.15536	2.2
271.10745	25.6
275.20020	1.7
277.09735	6.4
278.10501	2.5
279.08417	1.2
279.11331	6.9
280.08521	1.7
283.10846	4.7
284.11551	3.5
285.12344	29.9
286.12915	1.7
287.13928	17.3
293.09415	3.8
294.09964	3.0
295.10739	6.3
296.11874	1.7
297.12354	15.1
301.12045	3.3
302.12909	2.1
305.09262	5.4
311.10327	2.9
312.15152	2.5
313.12183	3.6
314.13058	2.7
315.13699	3.3
316.14545	3.4
323.10275	35.1
325.11813	20.3
326.12796	2.0
328.10776	4.9
328.14432	3.2
329.11707	4.0
330.16022	2.5
331.16949	1.3
339.09933	2.1
340.10931	1.9
340.14603	2.6
341.11633	8.4
342.12320	9.0
343.13049	7.9
344.13840	2.2
349.31342	1.3
351.09839	2.2
354.12460	1.5
355.13181	3.9
356.14117	7.3
356.17886	1.7
357.14615	8.4
358.15387	4.4
368.14008	2.6
370.15656	6.2
371.16217	1.7
372.17133	1.8
382.11914	4.1
383.12680	3.6
384.13254	2.5
384.17511	2.0
386.15018	3.6
390.18112	2.4
396.13550	2.6
398.14981	12.4
399.15689	14.2
400.16458	2.6
401.13449	1.6
402.13989	1.5
404.16052	6.5
412.16550	3.6
414.18417	2.6
416.16077	16.2
417.16739	3.5
422.16873	1.9
428.16025	5.3
430.17545	1.7
438.14694	2.3
440.16223	5.4
446.17029	11.9
456.15323	6.8
458.17102	28.0
474.16245	1.7
476.18127	2.8
488.18121	3.1
537.96393	1.4
550.21552	1.3
563.22766	2.4
565.24640	7.5
567.22241	15.3
581.23627	7.7
591.22382	20.0
609.23468	100.0
610.23962	5.0
623.24756	4.4
641.26227	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2609
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
57.12992	0.8
67.05499	2.9
69.54404	5.7
79.05500	1.8
80.05016	1.5
81.07043	1.3
82.06583	1.0
91.05476	3.6
93.07037	4.9
94.06577	9.7
95.04983	1.1
95.07368	6.5
95.08591	1.0
96.08135	12.8
97.06541	1.4
98.20708	1.0
103.05462	1.5
108.04470	1.2
108.08130	13.4
109.08904	1.0
110.09684	20.3
118.06544	1.0
119.08652	1.0
120.04490	2.2
120.08117	18.5
122.06046	9.5
123.86402	1.0
124.07608	2.1
134.06030	0.9
135.11633	0.9
136.07607	9.9
138.09154	23.2
146.06010	1.3
148.07591	4.6
152.07118	0.9
166.08649	26.7
197.07164	0.9
207.09294	1.5
211.08699	3.9
220.09959	1.2
221.10782	4.6
223.08641	1.1
225.10341	1.5
233.10805	1.2
234.07951	1.1
235.08717	2.1
236.09489	1.2
239.08102	1.1
239.11995	1.0
247.08684	5.0
248.09474	3.8
249.10255	28.5
250.11224	1.7
251.11884	1.8
253.09662	1.1
261.10239	3.8
262.11050	1.3
263.11792	3.3
265.09540	1.9
275.08163	2.0
275.20032	1.0
277.09735	15.7
278.10629	1.0
279.11411	1.4
289.09854	1.3
291.11288	1.9
293.09338	2.8
295.10629	1.6
298.13672	1.0
307.11102	0.9
308.11798	1.8
309.12460	8.6
310.13522	2.1
312.11557	2.6
313.13065	1.5
314.13089	2.6
321.08813	1.9
321.12674	1.7
322.13632	1.8
323.14215	2.7
324.11716	1.8
325.12845	3.2
326.12958	7.5
327.13785	3.1
328.10956	1.8
328.14514	2.0
336.11469	1.1
336.15067	2.7
337.12436	1.7
337.16107	1.3
338.13065	1.6
338.16650	2.2
339.14108	2.8
340.10938	5.1
340.14560	8.2
341.11795	2.8
341.15509	4.2
342.12479	4.9
342.16101	2.9
343.13351	2.0
344.14008	2.0
349.12296	1.7
350.13065	1.7
351.14056	1.7
352.11194	2.7
352.14584	2.9
353.11670	5.2
354.12442	14.5
354.16238	3.3
355.13126	7.1
356.13998	9.4
356.17792	2.2
357.14691	1.3
358.15326	1.5
364.14471	6.6
365.15656	1.7
366.12100	4.3
366.16318	7.6
367.13263	6.7
368.10226	3.2
368.14072	20.6
369.14737	11.1
370.15726	5.8
378.12338	1.1
379.13440	1.8
380.14197	4.0
381.10962	1.5
382.11771	8.9
382.15689	13.6
383.12613	2.5
383.16885	4.6
384.12973	1.5
384.17166	14.6
385.14398	2.5
386.15002	2.8
388.13043	1.8
392.13919	5.8
393.15048	1.2
394.11420	1.5
394.15686	2.9
395.13028	3.3
396.13431	13.7
397.14078	5.3
398.14508	2.1
398.18802	12.9
400.16672	3.5
402.14771	1.2
408.13461	2.9
410.14996	13.7
412.16568	13.4
413.14041	2.4
414.14297	4.6
415.15567	3.0
420.13361	4.4
426.13828	5.9
426.19391	1.5
428.16260	6.8
429.16873	1.3
430.17935	1.3
438.14508	40.8
439.14572	1.4
442.17621	3.6
444.19690	15.0
452.16367	1.1
456.15570	89.7
457.16049	3.3
458.17111	14.0
458.23181	0.6
470.17209	3.7
476.18170	50.3
477.18744	1.6
488.18213	35.3
489.18616	1.3
563.22998	2.6
568.23358	1.2
581.23859	1.8
591.22400	14.2
595.25574	6.1
609.23425	35.7
610.23639	1.4
613.26605	3.2
623.25031	31.2
624.25708	1.1
641.26062	100.0
642.26892	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	641.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01875	1.3
55.05527	3.1
57.03437	0.7
62.30042	0.5
64.74342	0.5
67.05509	3.5
69.07061	1.8
70.24959	0.6
70.73318	1.2
75.67120	0.6
79.05502	3.3
81.07041	3.8
83.08620	1.6
91.05485	3.2
92.73155	0.7
93.07062	3.5
95.04980	1.4
95.08611	2.3
97.06542	0.9
97.10191	0.8
105.07051	2.4
107.08612	2.4
107.14974	0.6
109.10153	1.1
116.17929	0.6
117.07046	1.1
119.08596	2.3
121.10151	1.0
125.09632	0.9
131.08615	1.9
133.10146	1.2
135.08107	0.9
136.97398	0.6
137.16216	0.7
143.08571	1.2
145.10172	1.5
147.11745	0.9
149.09601	0.7
149.13329	0.9
155.56438	0.7
157.10197	0.6
159.11766	0.8
161.13324	1.1
169.10075	0.8
171.11760	1.2
173.13367	0.6
178.98149	0.7
185.13232	0.7
187.31390	0.7
197.13306	0.9
201.16345	0.6
209.61746	0.6
227.12770	1.0
257.19055	0.8
259.20578	1.0
291.19638	2.4
333.24567	0.8
365.23230	1.0
379.29733	0.6
396.13220	0.6
407.11832	0.8
408.11942	0.7
410.14902	1.3
411.15167	0.7
414.14618	1.7
421.13058	3.6
422.13800	8.1
423.14682	4.7
424.15640	2.1
425.16748	1.0
428.15894	1.5
434.13690	1.1
435.14536	5.1
436.15378	7.7
437.16406	9.7
438.16711	2.3
440.15472	0.7
441.15945	1.7
449.16284	2.5
450.17523	4.2
451.18735	5.2
452.18628	1.3
455.17822	1.5
463.14023	1.9
464.14398	3.6
465.15747	5.0
466.16193	1.7
467.17175	1.1
469.15494	2.0
477.15756	1.3
478.16507	3.2
479.17273	3.9
480.18182	4.2
484.18021	0.9
493.19260	8.8
494.19040	2.1
495.16324	6.1
496.17413	1.7
498.15262	2.8
506.15878	1.8
507.16986	3.1
508.17453	10.6
509.18219	5.7
510.18842	1.3
511.16486	0.8
512.16876	7.0
513.17511	1.0
521.18323	13.3
522.16217	4.8
522.19666	4.8
523.19720	1.4
524.17401	1.0
525.17426	1.3
526.15118	2.1
537.17096	1.3
538.18469	1.2
539.19147	1.3
540.17615	0.7
549.18060	1.7
552.19354	0.7
553.21014	3.5
581.20355	74.4
582.20496	3.6
599.21472	16.9
600.21820	1.0
609.19666	2.8
613.23590	1.0
622.23047	4.8
623.42804	3.3
641.22467	100.0
641.44196	3.1
642.22754	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	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
53.30173	3.8
55.05500	14.2
57.03444	24.9
57.07074	49.3
61.00726	4.4
67.05507	36.1
69.07064	18.3
69.28723	44.5
71.08637	26.6
73.02717	4.5
79.05514	29.0
79.05878	6.4
81.07047	41.4
81.81371	4.6
83.08617	14.3
85.10172	17.3
88.50233	4.9
91.05482	33.4
93.07054	36.2
95.04964	6.1
95.08601	41.3
97.06539	5.2
97.10168	13.3
98.20711	7.7
105.07041	50.1
107.04983	5.0
107.08613	23.0
109.06530	5.2
109.10162	17.6
114.26749	4.1
117.07014	26.9
119.08604	35.9
121.10148	10.3
129.06978	12.5
131.08554	28.6
133.10126	18.2
143.08592	20.1
145.10106	21.7
147.11671	17.3
157.10149	11.4
159.11708	30.9
161.13194	6.0
169.10088	4.3
173.13278	12.1
183.11685	8.9
185.13260	27.1
201.16373	5.4
203.14369	11.5
219.17435	14.8
239.17972	13.3
247.45773	3.8
257.19037	41.9
274.82675	4.9
275.20099	47.3
302.09177	4.2
311.64868	4.6
313.27380	100.0
331.22653	9.1
349.23743	34.4
587.46869	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	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39743	2.6
54.69897	3.1
55.05514	26.3
57.03440	15.6
57.07078	26.9
67.05507	31.5
69.03455	3.2
69.07067	15.5
71.08636	20.8
79.05505	27.1
81.07056	35.5
83.04960	5.1
83.08638	20.6
85.06580	3.8
85.10194	11.2
91.05484	22.5
93.07037	23.5
95.08599	25.1
97.10167	28.0
105.07018	23.5
107.04974	6.6
107.08603	29.7
109.06521	5.1
109.10164	11.3
117.07028	10.4
119.08646	20.8
121.10154	7.4
123.08174	4.0
123.11685	3.9
125.09657	26.0
129.07007	6.0
131.08614	7.7
133.10164	9.6
135.08070	6.0
135.11710	5.4
145.10129	13.1
147.11699	13.9
149.09659	5.1
157.10112	4.8
159.11722	9.5
161.13235	3.8
163.11243	3.7
168.10246	4.4
173.13315	5.1
185.13292	11.1
189.11250	13.8
201.16367	4.0
203.14388	5.2
219.17471	10.1
227.12798	100.0
239.17964	7.8
239.23642	4.5
257.19064	12.9
267.15982	4.1
275.20056	40.8
313.27420	66.8
331.22687	4.6
349.23779	42.6
450.46478	3.3
483.36865	9.8
587.39258	3.5
587.46906	37.9
638.98596	3.6
640.47937	4.2
665.26489	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	640.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01859	3.8
60.04510	1.1
62.65519	1.1
62.97650	1.0
69.03410	5.6
69.85333	1.0
70.06560	1.1
70.40089	3.5
71.25755	0.9
79.05488	2.5
81.03408	4.8
82.03209	0.9
85.02909	12.2
85.06534	4.7
87.00819	3.9
95.08613	2.9
97.02884	4.3
99.04429	2.5
103.05467	34.8
105.01862	3.9
107.04938	1.9
107.08581	1.3
109.02890	2.9
111.04462	2.1
117.03329	1.2
117.07052	1.1
121.10175	1.3
125.05993	2.2
127.03920	6.5
131.04930	100.0
137.05975	12.1
143.04916	1.9
145.04974	2.6
145.06361	1.5
147.04337	1.6
153.05492	5.7
159.02870	1.8
160.05133	1.3
163.03886	1.4
163.07547	54.8
175.07535	3.4
177.05437	3.7
177.09073	1.2
177.16411	2.4
191.07030	6.0
195.13750	2.7
201.05328	1.3
201.09052	1.7
203.07011	15.1
205.08536	3.4
209.08194	1.1
215.07056	1.0
221.08125	4.5
223.09686	1.9
229.08669	1.3
231.04956	1.6
233.08105	5.8
242.11516	1.1
285.07654	1.7
286.07870	1.8
323.09305	1.3
324.09595	1.5
357.13339	2.8
369.09644	4.6
443.19208	1.4
477.12961	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	639.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.1
56.05035	0.2
57.07066	0.8
58.06604	6.3
65.60247	0.2
66.90452	0.2
67.05495	0.5
69.07063	0.6
69.65997	0.6
69.66410	1.0
70.06599	0.6
72.08160	11.6
73.06571	1.4
79.05496	0.3
81.07063	0.6
83.04990	1.3
83.08623	0.2
84.08149	0.8
85.08921	0.4
86.09710	20.4
91.05473	0.4
92.66626	0.3
93.07043	0.4
95.08621	0.4
96.08135	0.3
98.06046	0.7
98.20782	0.5
100.11261	100.0
101.06010	1.8
101.11577	0.6
105.07025	0.4
119.08527	0.3
121.10160	0.2
126.09123	0.2
128.10699	0.5
131.08533	0.2
140.14359	3.5
143.08205	0.4
146.11784	2.6
154.12289	1.7
154.15912	0.7
155.08617	0.2
172.13329	2.5
182.11835	0.6
188.78229	0.3
200.12810	0.6
200.16502	0.9
210.14842	0.3
211.14468	0.6
214.14415	1.3
228.15950	6.7
245.18753	0.4
285.21750	6.2
299.23291	9.1
313.21249	0.5
327.22784	15.9
328.20941	0.3
367.25940	0.6
377.26447	0.2
388.08273	0.2
395.25458	1.4
412.31833	0.7
427.27826	0.3
440.31265	2.9
458.32269	5.7
459.32584	0.3
484.33844	1.1
512.33374	0.5
526.34619	0.5
558.23987	0.3
611.43805	31.8
612.43951	1.4
639.27667	0.4
639.43274	8.7
640.43237	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	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
53.91388	1.9
55.01873	6.2
55.05516	17.8
57.03436	10.8
60.95857	1.6
64.34972	1.7
65.03950	1.7
66.75591	1.5
67.05510	24.3
69.03432	11.6
69.07067	8.5
71.04986	6.0
71.58718	1.6
72.68229	1.5
79.05496	22.8
81.03423	100.0
81.07063	28.9
83.04979	20.3
83.08622	24.9
85.02914	21.8
85.06554	2.5
90.14046	1.4
91.05488	29.3
93.07059	16.4
94.06622	1.5
95.04983	26.2
95.08641	9.3
97.02905	14.0
97.06532	6.6
97.10180	7.9
99.04465	6.3
103.05487	2.5
105.06381	2.2
105.07043	27.1
107.04998	7.2
107.08596	10.0
108.09074	1.7
109.02885	19.9
109.06510	5.2
109.10173	5.5
111.04446	13.5
111.08087	11.2
111.56575	1.4
113.06031	2.7
113.65391	1.5
115.05423	2.2
117.07014	3.7
118.75041	1.4
119.04926	2.0
119.08584	20.7
120.08115	3.0
121.06520	2.8
121.10145	8.3
122.06010	2.1
123.04414	3.4
123.08079	3.8
123.11686	2.8
125.09677	3.9
127.03959	7.7
129.06996	13.4
131.04929	3.2
131.08571	12.4
133.06456	1.9
133.10138	6.4
135.04411	3.5
135.08076	2.2
135.11714	2.9
137.02257	1.5
137.09648	2.8
142.07851	3.1
143.08540	2.5
145.10126	4.4
147.04462	2.2
147.08069	4.7
147.11697	17.1
148.07616	4.3
149.09605	7.4
153.12711	2.9
157.10135	15.5
159.08191	1.7
159.11595	1.5
163.03938	2.8
163.11200	2.5
165.04285	1.6
165.09097	2.4
165.12778	3.7
173.04424	3.4
175.11189	13.0
181.12349	3.7
184.32236	1.6
185.13147	2.1
189.11176	2.4
191.10709	2.7
193.12260	42.3
211.13307	61.3
226.10582	1.7
227.12741	7.3
229.14328	1.9
235.08710	1.7
237.10265	2.4
249.14999	2.6
252.12070	2.7
266.10056	3.2
267.11234	2.2
267.15939	19.5
268.11682	2.0
273.14853	3.2
277.09949	1.6
277.14349	1.6
278.10474	1.8
282.09564	1.6
283.15503	3.7
285.17010	16.9
289.09717	1.8
290.10074	2.2
301.14359	6.1
309.17044	2.2
312.10687	2.5
313.16470	2.4
319.15454	3.3
336.10568	2.5
337.16571	3.7
339.13470	4.7
340.13776	6.4
355.13049	3.2
355.17459	7.3
356.13309	2.7
367.13104	5.1
367.22662	2.9
368.13196	4.8
375.18140	2.6
385.23648	4.4
393.19055	2.5
411.20114	6.8
459.27472	10.9
477.28592	12.7
495.29584	16.6
519.29834	1.9
563.22339	10.6
575.18457	2.1
585.29950	3.0
603.31934	3.0
607.21063	21.0
621.32513	11.7
639.33856	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	639.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
55.01879	7.2
55.05502	10.8
67.05500	14.9
69.03432	19.3
69.07074	31.1
69.29330	10.9
69.29754	25.9
70.06608	6.5
71.04980	11.4
76.14182	4.5
79.05502	30.1
81.03442	22.0
81.07064	29.2
83.04992	79.8
85.02905	8.1
85.06553	9.2
89.03909	4.4
91.05492	25.5
93.07059	20.4
95.04985	20.5
95.08620	9.9
97.02892	24.1
97.06547	53.5
99.04462	14.4
103.05471	3.7
105.07034	54.5
107.04944	13.6
107.08607	18.2
108.81607	3.6
109.02869	8.4
109.06523	15.6
109.10168	5.3
111.04436	3.8
117.07018	17.6
119.08593	12.1
120.08136	5.3
121.06530	42.6
121.10189	10.2
123.04409	5.7
125.06006	91.9
127.03926	7.4
129.07028	9.5
130.07755	4.3
131.08569	25.6
133.06487	10.6
133.10127	5.7
135.04417	7.3
135.11674	3.9
137.05995	17.2
139.07559	3.8
141.06958	9.5
143.07059	67.7
143.08582	9.5
144.09303	6.5
145.06490	13.8
145.09018	7.8
145.10135	100.0
147.04445	5.8
147.08028	8.3
147.11693	7.4
148.07558	5.2
151.07558	16.9
155.08528	6.9
158.07324	6.4
159.08104	9.1
159.11742	32.9
163.03896	14.4
163.11201	28.5
164.04156	4.9
165.09134	14.4
169.10144	12.6
172.08794	8.7
173.09669	76.4
175.07536	6.0
177.05481	8.2
177.12758	17.4
179.08621	4.6
187.11186	70.7
189.09093	7.7
191.10675	35.8
197.09650	8.4
205.12248	59.0
209.11742	19.7
215.10715	67.7
227.12804	6.2
233.08118	14.1
233.11784	55.2
234.08437	9.8
251.12851	26.7
258.05167	3.9
286.04697	8.0
287.05490	9.4
301.07147	16.5
377.15936	6.2
395.17206	10.5
399.43570	4.3
413.18085	45.9
496.46881	4.2
575.18976	4.6
597.33868	4.3
607.21045	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	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43483	3.8
94.06669	1.9
120.08096	1.8
125.46068	1.8
135.86072	1.9
188.43372	1.7
211.12691	2.3
222.12965	2.7
225.13843	3.5
261.13803	2.6
319.66162	2.1
325.12241	2.1
412.16330	2.3
417.21161	2.9
422.21277	2.5
433.23907	5.0
435.18091	3.0
444.19586	4.9
445.19766	4.6
446.20694	2.2
449.19748	3.5
459.21878	41.4
460.22574	7.5
461.23492	7.0
475.20972	4.5
492.21625	3.2
493.21881	3.4
504.21277	3.1
519.24060	8.0
520.20398	3.1
538.22260	3.6
547.27130	22.1
551.25934	2.9
563.26276	3.2
564.23895	3.2
574.25348	2.2
578.24689	2.8
579.25739	10.0
580.26215	2.1
589.24304	2.9
591.26129	3.3
596.26587	2.4
597.26440	2.6
606.28381	100.0
607.25244	24.8
610.27576	2.4
611.28693	17.2
621.27118	5.9
622.27789	5.1
624.25250	3.2
639.28046	64.7
640.28027	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
57.03432	1.0
61.42072	1.2
62.59197	1.0
63.36913	0.9
66.06915	1.1
67.05517	2.6
69.07068	1.2
79.05518	1.2
100.80499	1.2
107.08633	1.4
119.08609	1.7
127.06580	1.1
183.35193	1.3
221.10799	1.1
221.95851	1.1
229.24326	1.6
264.14877	1.1
338.75684	1.4
377.17792	3.3
378.18683	1.6
389.18326	1.8
390.18793	1.7
391.19101	5.7
392.20123	4.5
403.19653	1.5
404.20151	2.0
405.20724	10.5
406.21475	5.5
407.22440	13.6
417.20914	1.4
419.22339	5.8
420.23282	3.6
421.23907	18.4
422.17459	1.3
422.24533	5.0
433.24417	5.5
434.25073	2.0
435.18265	1.8
436.19116	3.2
445.20209	1.7
449.19702	2.0
450.20673	1.6
451.21414	15.0
452.22153	5.2
460.23029	1.3
461.23520	1.6
463.21713	2.4
465.22861	18.9
466.23325	2.5
475.25879	1.5
478.23853	2.0
479.24628	2.0
487.14731	1.3
487.21484	3.7
488.21844	1.6
493.25989	1.8
501.22836	1.7
503.24533	13.8
504.25198	1.6
507.27774	13.3
508.28394	3.2
519.23688	1.6
523.23566	4.0
533.25476	2.3
535.26971	22.9
537.25043	11.2
551.26672	8.1
552.27393	21.3
561.24884	5.1
579.26141	10.0
580.26654	4.5
593.28003	1.4
595.29047	8.8
621.26996	23.1
639.28156	100.0
640.28473	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	639.1191
Annotation	Scutellarein 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03429	0.2
60.65696	0.1
65.97553	0.1
66.17322	0.1
66.71748	0.1
67.01853	0.4
68.99810	0.4
69.72160	0.8
70.06579	0.2
71.01362	0.3
73.02912	0.1
85.02905	1.0
89.03940	0.2
95.01319	0.3
97.02888	0.1
98.21502	0.2
113.02357	0.3
117.03351	0.2
135.04424	1.6
137.02361	0.7
141.01822	0.7
148.50529	0.2
153.01842	5.0
157.06418	0.2
159.02878	0.3
161.02280	0.6
170.85648	0.1
171.02890	0.5
171.70435	0.1
179.03397	0.5
203.03392	0.1
241.04938	0.6
259.06213	0.2
269.04471	0.5
270.05441	0.1
287.05499	100.0
288.05862	1.8
299.05530	0.3
326.00214	0.1
329.06653	0.2
412.69086	0.1
463.08749	3.3
639.11945	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	638.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	11.2
57.03435	2.8
57.07080	3.2
67.05508	16.7
69.03436	14.6
69.07073	12.7
69.26054	24.1
70.06584	3.7
71.04955	2.1
77.03937	2.1
79.05497	25.4
81.03456	2.0
81.07063	30.7
83.04990	3.3
83.08607	3.6
85.06531	3.7
87.00839	6.9
87.04472	3.0
91.05488	39.3
91.31197	2.1
93.07050	42.7
95.04965	11.7
95.08613	36.4
97.02927	2.3
97.06550	11.3
99.04473	7.2
103.05464	4.2
105.07037	76.4
107.04984	4.1
107.08598	40.8
109.06512	8.5
109.10148	15.0
111.08146	2.4
115.05439	5.9
115.07578	14.1
117.03386	3.5
117.07041	21.1
119.04980	5.2
119.08589	84.5
120.08118	3.5
121.06513	10.6
121.10159	23.9
123.08057	8.9
123.11749	3.3
125.06044	2.5
128.06236	10.0
129.07016	24.1
130.07782	6.7
131.04933	10.2
131.08580	73.8
133.06497	5.5
133.10136	48.4
135.08022	10.6
135.11726	11.8
137.05919	2.2
137.09599	3.4
139.07581	4.9
141.06995	7.7
142.07788	17.0
143.08571	61.0
144.09378	7.8
145.02905	12.7
145.06485	5.7
145.10132	100.0
147.04414	11.7
147.08052	17.2
147.11694	50.7
148.07616	4.9
149.05956	5.1
149.09608	6.4
149.13268	14.4
153.07004	3.5
154.07635	3.1
155.08565	29.1
156.09377	17.2
157.10152	77.7
158.10934	5.1
159.08156	10.6
159.11702	86.4
161.09660	18.6
161.13261	31.7
163.03905	7.0
163.07565	2.4
163.11180	7.5
165.09129	5.0
167.08585	9.8
168.09354	14.0
169.10146	36.8
170.10887	12.7
171.11700	61.7
173.09650	13.3
173.13277	78.8
175.07576	2.4
175.11195	12.8
175.14833	28.0
177.05490	16.1
177.09143	2.9
177.12746	3.1
179.10640	2.6
180.09299	2.4
181.08751	2.8
181.10139	16.6
181.98421	2.1
182.10959	12.3
183.10173	2.0
183.11702	52.9
184.12434	3.5
185.09692	4.6
185.11600	4.8
185.13258	76.6
187.11224	16.6
187.14830	42.9
189.12762	36.8
191.10707	4.6
191.14276	17.1
193.10138	6.4
194.10963	2.8
195.11713	15.7
197.13263	83.1
199.11232	15.9
199.14844	47.3
201.07617	4.9
201.12761	37.4
201.16386	9.7
203.14330	47.7
205.10208	3.1
205.12279	4.1
205.15906	3.8
207.11719	5.7
207.13768	6.5
208.12550	3.5
209.13315	13.1
211.11150	4.8
211.14833	14.5
213.12758	11.4
213.16382	10.3
215.14308	41.4
217.12233	9.1
217.15800	10.0
219.11757	3.8
219.13780	20.6
221.13377	3.9
221.15341	27.3
223.14804	7.8
225.12711	4.2
225.16371	8.3
227.14313	8.6
227.17986	2.6
229.12236	3.4
229.15930	8.8
231.13736	10.5
233.11533	2.8
233.15373	15.2
235.13326	8.9
237.10233	2.9
237.12756	2.2
237.14783	7.3
237.16702	3.7
239.17987	3.1
241.15862	3.5
243.13846	16.2
243.17421	5.2
245.15462	5.7
247.16988	4.0
249.16296	5.1
251.16302	2.9
261.14713	12.6
265.19516	3.3
266.45386	2.7
275.17911	3.0
283.14923	2.2
286.04590	2.4
289.09796	2.4
301.07004	4.1
301.14273	2.5
315.21201	4.0
319.15445	18.0
319.24203	2.9
330.13297	5.5
335.10413	3.4
339.14114	23.1
343.24127	3.3
348.76212	2.3
349.12753	7.5
355.12909	2.7
361.25302	2.8
365.15985	11.1
367.12811	3.0
369.25784	2.9
371.27487	3.4
375.27335	2.2
381.25623	3.7
383.26605	2.4
387.26782	6.5
399.26871	17.2
401.28568	2.9
405.27771	5.9
407.25565	2.9
415.26498	3.4
417.28003	24.7
419.29648	2.8
427.26260	4.8
433.27524	19.9
435.29077	13.4
445.27371	20.9
451.28458	27.8
453.29944	15.0
463.28427	37.1
471.30978	22.1
481.29547	28.7
491.27362	2.8
499.30258	5.0
503.27890	3.8
509.28629	8.6
517.31812	16.4
521.28900	17.9
537.28070	4.7
539.30029	16.5
541.27136	2.6
549.28595	6.4
555.29547	27.6
557.31549	2.7
562.21808	5.6
566.40533	3.4
567.29480	21.8
575.31885	5.2
585.30652	91.6
586.31256	4.4
603.31360	4.2
606.20984	17.3
621.32550	8.4
638.34760	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	638.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03851	0.7
58.99142	0.4
67.64397	0.5
70.15767	2.3
79.05358	2.3
80.04911	0.6
85.02820	0.7
91.05339	1.7
91.05859	0.6
93.06896	2.2
94.06422	3.4
95.04843	0.9
103.05323	2.2
106.06419	0.7
107.07214	0.6
108.04368	0.7
108.07957	4.7
110.09542	1.1
116.04893	0.8
116.99497	0.7
118.06353	2.2
119.07191	1.1
120.04305	4.2
120.07938	18.6
120.09358	0.8
122.05859	8.0
122.06806	0.7
122.09499	1.8
126.83517	0.6
130.06404	0.6
132.07919	1.7
134.05919	0.9
134.09538	1.4
136.07401	8.0
138.05391	1.1
138.09023	1.3
146.05815	5.0
148.07581	27.2
148.08672	1.4
150.05394	0.9
150.09143	2.7
152.07086	3.1
156.08060	0.6
158.09509	0.6
160.07436	1.2
162.05301	1.7
162.08957	1.6
164.07068	4.1
164.10587	1.2
166.08632	4.8
172.03958	4.0
174.05457	0.9
174.09074	0.7
176.06987	1.3
176.10532	1.0
177.07712	1.1
178.08437	1.4
180.10190	4.6
182.09486	1.2
186.05377	1.0
186.09070	0.6
190.04991	2.7
192.06398	0.6
192.10022	1.0
194.07988	1.3
194.09547	0.8
196.09631	1.5
197.10803	3.0
198.11356	0.7
199.08438	0.6
199.12068	0.7
201.10204	0.6
204.06526	4.8
206.08136	2.9
208.09581	1.9
209.10663	2.8
210.11353	0.9
211.08461	1.0
211.12112	1.9
212.09256	2.1
213.10176	1.2
221.10532	1.7
222.07587	0.8
223.08682	2.9
223.12224	3.0
224.09375	2.8
224.12750	1.2
225.10222	8.5
226.10808	2.2
227.11830	3.2
233.10547	1.7
234.11311	1.0
235.08630	3.3
235.12146	1.6
236.09245	3.9
237.10243	16.8
238.10950	4.1
239.08139	4.1
239.11740	8.2
240.08490	0.6
241.09724	2.5
241.13133	0.7
247.08427	0.7
248.09373	4.1
249.10242	10.1
250.11070	4.5
251.08000	6.7
251.11615	11.5
252.08708	2.3
252.12341	2.3
253.07471	0.9
253.09555	9.7
253.13062	1.5
254.10387	1.6
255.11287	4.1
256.11737	0.8
257.12634	0.5
261.10211	6.9
262.10828	1.9
263.08035	1.8
263.11627	9.1
264.08774	1.8
264.12259	0.7
265.09720	19.2
265.12698	1.0
266.10507	4.0
267.11313	10.7
268.11682	1.3
269.09103	1.5
269.12677	3.1
271.10773	5.8
271.13788	1.0
273.12439	0.7
276.08658	1.5
277.07480	0.5
277.09756	5.7
278.10529	6.9
279.07513	6.1
279.11096	19.8
280.08783	1.0
280.11868	4.5
281.09042	4.4
281.12662	4.2
282.10001	2.6
283.07834	0.9
283.10779	12.5
283.13791	0.8
284.11349	1.1
285.12244	1.8
287.13843	1.3
287.81497	0.5
289.09729	10.7
290.10239	1.5
291.11273	6.2
292.11722	1.2
293.09058	4.8
293.12689	5.7
294.10028	7.1
294.13165	0.9
295.10580	7.0
295.14200	1.5
296.11584	4.3
297.08908	0.9
297.12213	4.6
298.09378	0.9
299.10056	3.6
299.13809	1.8
304.08246	0.6
305.09207	0.7
305.12668	0.8
306.09741	2.3
307.10794	5.1
308.11334	2.5
309.08707	1.1
309.12155	4.7
311.10089	12.9
311.13828	3.4
312.11041	5.9
313.11868	4.2
314.12622	2.9
315.13586	0.7
316.14450	0.8
317.09222	2.8
319.10526	1.1
321.08548	1.0
321.12204	1.9
323.09903	1.6
323.13690	2.5
324.11148	4.0
325.11823	4.7
326.12607	7.3
327.13397	14.6
328.14023	1.6
329.15002	3.2
330.12122	0.6
330.15808	1.2
333.12048	0.6
335.10257	12.0
336.10693	1.0
337.11688	2.3
339.13397	64.6
340.10770	3.2
340.13849	3.1
341.15228	0.9
342.12372	1.0
342.16248	0.9
343.13202	0.7
344.13846	1.0
344.17581	1.0
349.11734	1.3
351.13385	0.6
352.10449	2.1
353.11002	1.8
353.15067	1.3
354.07916	0.7
354.11951	5.2
354.15958	1.2
355.08746	0.9
355.12903	15.1
355.16895	0.7
356.13574	1.3
357.14572	1.0
358.15106	1.2
367.08377	1.2
367.12894	22.2
368.13516	0.8
369.14447	1.0
370.15311	0.8
371.12341	3.5
371.16302	0.9
372.12949	1.5
374.14780	0.8
376.16229	1.1
381.14301	1.1
382.15338	0.9
383.16251	1.1
384.12949	0.9
385.13925	1.4
386.14792	4.9
387.15500	5.2
388.16434	0.7
390.17929	1.2
399.15558	9.1
400.16403	1.7
402.18430	0.8
413.16916	1.5
414.18219	1.2
415.14847	0.7
416.15640	1.0
418.17523	1.6
424.16507	0.7
432.19431	0.9
434.21259	0.6
442.17725	3.1
446.16769	1.3
456.18848	0.6
460.18573	1.7
461.19199	0.8
470.17056	2.6
474.20129	2.3
478.19678	0.7
484.17941	0.7
486.20184	2.6
488.18112	0.7
492.21259	0.7
493.22061	1.1
494.23129	1.2
502.19666	4.9
512.18268	2.1
520.20764	1.4
520.35370	0.5
521.21680	2.2
530.19250	7.1
534.22522	6.7
552.23492	9.6
562.21869	38.8
563.22034	1.8
566.24908	1.3
574.17834	0.9
576.23767	0.9
594.24457	100.0
595.24738	5.5
606.20807	9.5
607.21014	1.1
620.22137	3.1
638.23468	75.4
639.24023	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	638.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77378	0.6
65.03877	1.0
67.05453	1.6
69.03318	0.7
69.07023	0.9
69.26151	5.6
69.26562	1.3
79.05413	3.6
80.04979	1.0
81.07008	1.7
83.04941	0.7
85.02850	1.3
91.05480	4.3
93.07032	3.3
94.06570	3.7
95.04929	0.9
95.08528	1.7
97.02866	1.4
98.20645	1.1
103.05396	1.5
105.06966	2.1
106.07262	0.8
107.04906	0.8
107.07256	1.1
107.08512	2.0
108.08122	3.4
109.06438	1.1
116.04897	0.7
117.06940	0.8
118.06426	1.3
119.08502	1.8
120.04478	3.5
120.08115	17.5
120.08900	1.1
122.06040	6.9
122.09574	1.2
125.05954	1.1
127.03796	0.8
129.06918	0.9
131.08493	1.7
132.07979	1.3
133.10051	0.8
134.05978	0.8
134.09575	1.0
136.07578	7.4
138.05453	0.7
138.09044	0.7
143.08513	1.2
144.04362	1.0
145.10036	2.2
146.05991	4.0
146.10468	1.0
147.04333	1.6
147.11655	0.9
148.07573	26.6
150.09079	2.6
152.06982	2.5
156.09142	0.9
157.09979	1.4
159.11626	1.6
162.05406	0.7
162.09065	1.6
163.03857	1.4
164.07094	3.9
164.10631	1.9
166.08687	3.9
169.10014	0.9
171.11670	0.8
172.03886	4.8
173.09555	0.9
173.13141	1.6
176.10603	0.9
177.07819	0.9
178.08469	0.9
179.70349	0.7
180.10141	3.1
184.09869	0.9
185.10747	1.2
190.04933	1.7
192.10117	1.2
194.08096	2.0
196.09816	1.1
197.10670	2.2
197.13232	0.8
204.06540	5.3
205.12157	1.0
206.08011	1.0
208.09674	2.5
209.10704	2.0
210.11450	1.0
211.08528	1.8
211.12302	1.6
212.09419	2.5
215.10585	1.0
221.10628	1.1
222.07570	0.9
222.11337	1.4
223.08641	2.1
223.12222	1.7
224.09314	2.1
224.12813	0.9
225.10294	7.1
226.10893	1.3
227.11743	2.5
233.10715	0.8
235.08679	3.3
235.12212	1.0
236.09290	3.3
237.10240	13.3
238.11043	3.9
239.08098	3.0
239.11751	6.3
240.12451	0.9
241.09610	2.5
247.08621	1.0
248.09377	2.2
249.10254	10.2
250.10982	4.1
251.08189	6.3
251.11835	9.7
252.08904	1.8
252.12488	2.1
253.09650	7.2
253.13200	1.0
255.11284	4.4
261.10254	4.5
262.10928	2.0
263.08252	1.3
263.11746	6.4
264.08804	0.9
265.09756	14.7
265.12808	1.5
266.10477	3.7
267.11307	9.1
269.09293	1.6
269.12772	2.7
271.10782	3.4
276.08704	1.3
277.09628	3.5
278.10489	4.0
279.07657	4.9
279.11215	17.6
280.11990	2.7
281.09140	4.3
281.12762	3.1
282.09839	1.9
283.07809	1.1
283.10785	11.6
283.13797	0.8
284.11304	1.0
285.12308	1.1
289.09750	9.9
290.10394	1.4
291.08191	1.2
291.11197	5.6
292.11877	0.8
293.09152	4.5
293.12808	4.4
294.10056	5.5
295.10803	6.4
296.11508	2.9
297.08917	1.3
297.12296	3.7
298.09546	0.9
299.10236	2.4
299.13690	1.2
306.09799	2.2
307.10760	4.2
308.11554	1.9
309.12289	4.9
310.13086	0.8
311.10202	9.6
311.13895	2.7
312.11127	4.3
313.11819	3.9
314.12491	2.8
315.13474	1.0
317.08951	1.8
321.12363	1.3
323.10187	2.5
323.13937	2.5
324.11087	3.9
325.11938	5.0
326.12704	6.6
327.13467	12.1
328.14407	1.0
329.15009	3.1
330.15887	0.8
335.10257	10.5
336.10580	0.8
337.11783	2.3
339.13416	57.6
340.10455	3.2
340.14243	2.5
341.15292	0.9
343.13049	1.3
349.11740	0.9
352.10547	1.7
353.11270	1.4
353.15128	1.0
354.12338	4.1
354.15799	1.2
355.12875	13.5
355.16751	1.1
356.13736	1.0
357.14450	0.8
358.15433	1.4
367.12924	20.3
368.17773	0.8
370.15540	0.7
371.12399	3.7
371.16229	0.8
372.12878	0.8
382.15414	0.8
385.13947	1.6
386.14514	3.2
386.18881	0.9
387.15640	3.4
390.17981	0.8
399.15720	7.4
400.16025	1.0
402.18408	0.9
413.17352	1.1
414.18146	1.6
418.17288	1.5
442.17639	2.5
470.16980	2.6
474.20251	1.9
486.20181	1.7
492.21262	1.3
502.19617	4.6
512.18042	1.0
520.20392	1.1
521.21515	2.4
530.19324	8.2
534.22357	5.5
552.23486	11.0
562.21844	34.9
563.21771	1.5
566.25159	1.0
574.18134	1.2
594.24475	100.0
595.24963	4.5
606.20929	10.5
620.22845	3.7
638.23468	72.9
639.23901	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	638.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04518	0.5
65.03937	0.9
67.05502	0.5
69.03450	0.7
70.92355	1.1
79.05470	0.5
81.03414	2.7
81.07082	2.0
82.06576	2.2
85.02908	1.3
86.06080	0.4
89.03918	5.3
89.27637	0.4
91.05483	8.0
93.07039	0.7
94.06586	2.3
95.04981	0.5
97.02895	1.0
97.06555	0.6
103.05475	1.2
106.04128	0.6
107.04972	0.9
107.08611	0.5
108.08134	1.3
109.02870	1.0
117.03382	17.0
119.04952	15.0
124.07632	0.9
126.09142	0.7
131.04935	1.9
134.03615	0.9
135.04411	1.2
136.07588	2.0
137.05981	0.9
142.08652	2.9
145.02855	52.4
145.06487	5.0
147.04419	76.9
148.04791	0.8
149.05983	6.2
154.08641	5.3
162.05530	1.0
163.03949	0.8
163.07532	1.1
165.05489	1.0
172.09669	0.8
175.07513	0.9
177.05482	100.0
178.05898	1.2
186.05501	1.2
188.07069	2.5
218.38414	0.4
285.07465	0.9
286.07922	1.3
291.08655	4.9
309.09753	2.1
312.12320	34.3
313.12631	0.7
352.75061	0.4
392.27609	0.7
404.27899	0.5
408.27808	0.4
422.29001	3.5
440.30148	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	637.3948
Annotation	Eupteleasaponin VIII
Peak:m/z	Relative Intensity
52.71180	4.1
53.03937	5.9
55.01850	4.1
55.05509	12.6
57.03413	6.3
57.58608	4.2
65.03961	4.6
66.43224	3.4
67.05496	17.1
69.03435	25.0
69.03745	5.0
69.07056	14.5
70.74226	4.1
70.74524	6.8
71.04990	3.9
79.05484	13.5
80.44676	3.8
81.03410	13.8
81.07057	34.1
83.04956	5.7
83.08648	7.3
85.02425	7.8
85.02907	100.0
91.05479	16.2
93.07059	27.1
95.08614	37.0
97.02891	24.1
97.06517	11.6
97.10140	5.3
99.04472	6.5
101.32782	4.0
103.05503	4.5
105.07027	30.6
107.04981	5.3
107.08587	41.3
109.02873	13.0
109.06516	8.2
109.10164	30.2
111.08059	6.7
117.06987	4.7
119.04948	3.8
119.08596	36.6
121.06505	15.3
121.10148	37.0
123.11712	12.7
125.05976	7.0
127.03956	24.9
131.04967	3.9
131.08540	20.4
133.10124	36.2
135.04427	6.2
135.08086	13.0
135.11679	22.1
139.11147	5.6
143.08568	8.1
145.02844	4.2
145.04982	10.3
145.06418	4.3
145.10147	35.9
147.08037	11.1
147.11714	20.8
149.05946	6.1
149.09610	6.2
149.13234	16.8
155.08437	4.1
157.10092	11.2
159.08026	12.3
159.11740	35.0
161.09558	9.2
161.13260	6.7
163.03918	18.1
163.11147	4.7
163.14767	6.2
165.09122	7.3
171.11665	9.9
173.09612	17.7
173.13277	13.7
175.11188	8.3
175.14815	11.6
177.12827	5.9
177.16371	11.0
183.11693	10.7
185.09615	5.6
185.13266	8.2
187.11194	13.8
187.14896	9.6
189.12735	14.7
189.16391	7.0
197.13193	10.3
199.11206	28.2
201.12761	41.8
201.16426	6.0
203.14278	32.9
203.17947	6.0
205.12253	6.0
205.15913	14.1
205.19534	5.3
213.12703	4.4
215.14278	23.6
215.17966	11.7
217.12279	8.0
217.19476	5.1
219.13808	14.5
229.15878	5.1
231.17363	10.0
233.15361	7.3
233.18979	8.0
234.40935	4.0
235.13313	17.4
255.17513	5.2
285.07870	4.1
298.67596	3.9
335.10046	4.5
339.13284	6.9
359.25998	4.4
379.29865	6.6
397.30902	6.6
403.29865	16.8
421.31073	72.8
439.32129	94.3
457.33255	48.6
521.31006	4.5
545.31116	6.7
601.36639	4.8
606.20807	10.5
619.38403	46.5
643.43103	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	637.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26302	1.1
55.05510	6.7
65.03930	1.5
67.05521	7.8
68.12401	1.2
69.03414	4.5
69.07053	4.7
69.55026	1.1
70.55523	1.0
71.14818	2.5
79.05499	5.8
81.03406	3.5
81.07063	15.1
83.04990	25.3
83.08614	3.2
85.02920	8.1
91.05494	9.1
93.07062	12.4
95.04985	5.2
95.08610	28.6
97.02887	2.1
97.06525	2.0
97.10216	1.1
99.08079	3.6
105.07037	15.1
107.08602	25.8
109.02890	2.0
109.06519	4.3
109.10178	12.4
111.04442	1.4
111.08060	4.0
117.07037	3.1
119.08595	16.3
121.06510	5.4
121.10155	10.8
123.08067	3.5
123.11714	5.1
125.09638	9.0
127.03911	2.3
129.07024	2.6
131.08568	8.9
133.06494	1.7
133.10135	14.0
135.08038	6.1
135.11684	4.9
137.09624	2.9
143.08565	3.9
144.89778	1.1
145.10139	13.5
147.08116	5.9
147.11697	11.3
149.05954	1.5
149.09618	2.7
149.13251	3.5
151.11179	1.6
153.09109	1.1
157.10156	8.2
159.08052	3.6
159.11714	18.2
161.09610	6.8
161.13271	8.9
163.03935	2.6
163.14792	2.4
169.10124	3.1
170.10803	1.4
171.08054	1.2
171.11670	5.2
173.09618	4.0
173.13286	11.4
175.11208	3.3
175.14873	6.0
177.16423	1.7
181.10068	1.3
183.11728	3.8
185.09583	2.4
185.13272	4.2
187.11229	2.5
187.14851	6.9
189.12727	2.5
189.16373	3.8
191.14330	3.8
193.12233	3.5
195.11699	1.5
197.13246	3.2
199.11160	2.1
199.14832	6.2
201.12782	8.5
201.16359	4.4
203.14319	24.9
203.17804	1.0
205.15875	3.3
213.16423	3.2
215.14377	2.9
217.15944	6.1
219.13837	30.7
223.14754	1.4
225.16415	2.2
227.14395	1.7
227.17857	1.2
229.15857	4.1
231.17439	2.9
233.15428	1.4
239.18015	1.4
243.17467	3.0
247.16940	1.5
255.17470	2.3
265.19550	1.5
269.19025	1.8
279.21143	1.2
281.18814	1.6
283.20578	1.8
285.07471	1.9
300.18906	1.2
311.23602	1.7
327.23090	1.3
339.23392	1.5
339.27005	8.8
363.26697	4.3
381.27704	1.8
391.30029	1.6
393.31555	2.5
403.30008	6.2
421.31070	46.3
422.31516	1.5
439.32114	100.0
440.32605	1.3
457.33078	6.0
637.32111	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	637.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38734	4.9
54.96657	5.5
55.05509	10.7
56.07040	5.1
57.02698	5.5
57.03425	7.2
58.80709	4.7
63.03152	4.7
67.05508	26.3
69.03433	16.1
69.07074	12.9
71.13423	12.3
73.51183	4.3
79.05500	21.1
81.03429	24.6
81.07071	33.4
83.04984	10.7
83.08605	15.3
85.02917	15.5
89.03913	8.6
89.05049	4.9
91.05486	27.3
91.21808	4.8
93.07040	25.7
95.04977	8.5
95.08617	45.8
97.02962	7.4
97.06544	9.9
99.08086	7.5
105.07027	25.6
107.04950	8.3
107.08611	41.8
108.36117	4.9
109.02873	6.7
109.06519	9.0
109.10161	30.4
111.08123	7.5
112.72374	5.2
117.07030	8.6
119.08591	45.4
121.06515	9.0
121.10151	20.9
123.04445	26.0
123.11712	10.5
125.09662	16.5
131.08588	11.2
133.02872	7.1
133.06453	4.9
133.10141	34.6
135.04430	21.7
135.08038	25.2
135.11731	10.8
143.08534	9.5
145.02844	12.6
145.10121	25.4
147.04453	11.2
147.08040	8.8
147.11703	16.9
149.09654	12.9
149.13254	7.9
156.09303	4.8
157.10138	12.5
159.08080	6.0
159.11748	21.2
161.09641	19.1
161.13318	10.3
163.03922	100.0
163.11148	6.9
164.04214	5.8
165.09140	27.2
169.10074	8.7
171.11647	9.8
173.02296	8.9
173.13251	13.3
175.11189	8.2
175.14836	6.7
183.11737	10.6
185.13332	9.1
187.11221	10.6
187.14804	12.6
189.12785	9.0
189.16428	5.0
193.12241	10.2
199.14767	5.6
201.12730	11.5
203.14285	42.3
205.12425	8.5
213.16382	6.1
217.15846	15.8
219.13765	24.5
223.12947	5.1
230.14685	5.1
230.66689	4.9
270.50607	5.4
271.06168	6.0
295.06030	22.4
313.07001	9.4
339.13589	7.7
383.22125	5.8
421.31003	50.3
439.32108	69.5
440.27319	11.4
457.26471	9.4
457.33109	70.6
475.26825	12.8
546.19733	5.5
564.19269	6.6
583.39783	5.8
593.22998	14.7
606.22266	6.2
637.22418	11.9
637.32202	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	637.3945
Annotation	Eupteleasaponin VIII
Peak:m/z	Relative Intensity
53.03917	3.1
54.83813	3.2
55.05514	9.0
58.47925	3.1
62.64987	3.3
66.13694	3.3
67.05498	10.5
69.03425	4.2
69.07066	5.4
69.41241	6.8
69.41647	19.2
76.84243	2.9
78.38216	3.0
79.05500	9.0
81.07043	10.9
83.04968	3.9
85.02917	8.0
91.05475	13.2
93.07066	16.1
95.08127	3.6
95.08621	39.0
99.08117	5.6
105.07043	15.6
106.56524	3.3
107.08612	40.4
109.06530	3.5
109.10164	19.8
111.08065	6.1
119.08583	25.3
121.06474	4.7
121.10146	20.3
123.11680	10.0
125.09648	19.5
131.08531	11.5
133.06479	3.7
133.10167	17.2
135.08040	13.2
135.11700	5.6
137.09569	5.0
143.08583	6.7
145.10136	14.6
147.08092	5.9
147.11650	11.6
149.09724	3.8
149.13150	4.5
157.10144	9.8
159.08076	5.6
159.11722	19.8
161.09587	10.8
161.13292	5.9
163.54169	3.6
171.08076	3.6
171.11690	5.7
173.09631	6.4
173.13293	17.4
175.11136	3.9
175.14827	10.4
183.11636	5.7
185.09602	5.3
185.13258	8.9
187.14821	10.0
189.12784	6.0
191.14267	5.6
193.12306	5.5
198.15669	3.5
199.11150	7.3
199.14804	8.2
201.12727	19.4
201.16385	8.1
203.14348	46.1
213.16399	11.8
215.14301	5.6
215.18013	4.6
215.55843	3.7
217.15860	6.2
219.13815	57.8
225.16408	4.4
229.15952	7.0
231.17534	6.2
243.17352	4.0
309.22089	4.1
311.23651	4.4
393.31418	4.2
403.29907	12.1
409.30817	4.6
421.31027	98.0
439.32065	100.0
457.32925	17.9
484.20685	4.0
583.89209	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	637.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.2
55.01877	14.0
55.05260	1.4
55.05518	23.9
57.03443	8.2
59.05013	1.5
61.02918	1.3
65.03935	2.4
67.05173	1.5
67.05512	30.2
69.03435	21.6
69.07072	8.1
70.06585	1.6
71.01383	1.9
71.05000	7.0
71.59521	1.5
79.05500	32.9
79.82243	1.1
81.03427	100.0
81.07063	33.1
83.01336	4.3
83.04990	30.0
83.08626	21.1
85.02910	19.7
85.06568	1.6
91.05492	33.4
93.07052	30.4
95.04976	22.1
95.08618	15.0
97.02901	18.8
97.06540	9.0
97.10188	7.5
98.37759	1.3
99.04465	10.5
103.05483	2.8
105.07047	21.6
107.04971	11.6
107.08612	15.6
108.08139	2.8
109.02892	19.6
109.06535	6.3
109.10179	5.4
111.04452	15.9
111.08073	10.5
111.42556	1.5
113.06060	1.4
115.05482	2.8
117.07037	9.4
118.06506	1.2
119.04955	2.2
119.08598	17.4
120.08150	7.8
120.08888	1.9
121.06535	8.5
121.10146	14.0
122.06022	4.8
122.85550	1.1
123.04439	3.9
123.08078	6.9
123.11758	1.4
125.05975	2.0
125.09632	6.7
127.03916	12.6
128.06210	1.3
129.07028	8.4
130.07747	1.6
131.04955	1.8
131.08568	12.7
133.06502	3.7
133.10132	8.5
135.04417	3.9
135.08078	3.8
135.11732	10.2
136.07602	5.3
137.06050	2.4
137.09648	2.2
139.07489	1.4
143.08560	3.3
145.10127	13.6
145.73189	1.3
147.04404	4.4
147.08063	5.3
147.11700	11.0
148.07597	15.0
149.05954	2.8
149.09656	3.7
153.12733	10.9
155.08640	2.0
157.10120	7.5
159.08090	1.6
161.05984	1.9
161.09636	1.7
163.03920	8.1
163.11186	22.8
165.12740	3.8
166.08701	1.6
169.10143	1.5
173.04521	3.5
173.09651	4.9
175.11211	10.5
181.12260	11.0
187.11279	1.7
189.11244	2.4
191.10658	7.2
193.12267	28.7
203.14395	2.0
209.11829	7.4
211.13315	46.5
219.13899	1.8
225.10338	2.8
227.12862	20.3
235.08897	1.5
235.13376	1.7
236.09512	2.5
237.10176	7.0
238.10890	2.2
239.11784	1.9
243.13936	1.5
247.13257	1.4
249.10304	7.5
250.10944	1.4
251.08122	1.6
251.11861	4.4
252.08595	1.5
253.09676	4.7
255.11324	2.2
261.10297	2.8
261.80630	1.4
263.07980	1.5
263.11966	3.6
264.08960	3.0
265.09778	7.3
265.14459	2.3
266.10519	1.8
267.11404	3.9
267.15903	7.4
273.14871	3.4
277.09750	3.5
277.14221	1.7
278.10556	3.2
279.11267	7.8
281.09262	1.5
283.10962	2.8
283.15442	12.0
285.07648	3.6
285.17093	2.9
289.09683	4.5
289.14508	1.6
291.11261	3.4
293.09225	8.4
293.12540	2.5
294.10034	2.8
294.13181	1.2
295.10733	3.3
296.11658	1.6
301.14371	1.9
305.09335	1.9
307.10693	3.9
307.35822	1.3
309.17117	2.4
311.10297	4.4
311.14053	2.6
317.09344	1.6
319.15390	1.7
324.11194	1.4
326.12741	1.4
327.13419	2.6
335.10349	5.3
335.14465	1.8
337.16522	3.0
338.12888	1.2
339.13409	21.9
340.10681	2.0
351.09842	2.5
353.11871	1.3
353.15894	6.3
354.12274	2.9
355.13034	5.6
355.17538	7.0
355.22104	1.7
366.12201	2.7
367.12872	11.1
375.18079	1.6
383.22266	3.5
385.14035	1.4
391.17648	1.6
398.14624	1.8
409.18594	3.0
411.20142	5.0
421.31097	3.0
427.19659	1.9
439.32144	1.9
440.27243	1.9
442.17404	1.4
457.25885	4.1
457.32556	1.9
475.26862	12.3
488.18375	2.1
493.28104	14.9
520.20758	4.6
530.19208	3.7
559.28479	1.6
562.21906	11.2
564.19220	3.0
574.18268	4.3
578.21362	2.3
590.17822	1.7
593.23474	7.0
601.30060	1.9
606.20898	28.9
619.30914	6.1
637.22528	7.6
637.32092	63.8
638.32953	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	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78951	0.3
71.59722	0.7
95.08635	0.4
97.18292	0.4
111.19971	0.4
128.53578	0.4
170.32196	0.5
200.91043	0.4
222.11580	0.4
223.12393	0.5
236.79984	0.4
359.30331	0.4
389.17975	0.7
391.19339	0.6
401.18027	0.6
402.18405	0.9
403.19278	1.2
405.20981	0.8
407.22159	0.5
415.19440	1.9
416.20358	0.7
417.16354	0.5
417.20987	1.7
419.22458	1.7
420.23187	0.6
429.16779	0.7
430.17203	2.2
431.17746	2.6
431.23492	0.8
432.23145	1.7
433.20496	0.5
443.18408	2.6
444.19080	2.7
445.20102	10.6
446.21136	2.5
447.22101	1.9
448.18726	0.4
457.20941	0.8
458.20990	10.1
459.21832	6.9
460.22916	6.4
461.19449	4.7
462.20602	1.0
464.63315	0.4
472.23041	0.9
473.23370	0.8
474.20984	0.5
475.21121	2.5
476.22107	1.9
477.22864	3.0
489.18976	0.7
490.23932	0.5
491.24738	2.0
503.20129	0.6
505.22620	0.8
517.22577	1.8
518.23035	5.5
519.23340	0.6
532.24988	0.6
533.26154	3.1
535.23395	1.9
545.25903	2.8
546.26392	1.7
547.27405	0.5
549.24976	1.1
573.24780	0.9
577.28650	2.4
587.23602	0.5
591.26154	0.6
592.26373	0.6
605.27649	16.0
606.27997	1.7
622.53949	0.5
637.30249	100.0
638.30542	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	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89938	1.3
75.56660	0.5
102.28299	0.5
221.10701	0.5
224.12891	0.5
235.12492	0.6
241.65561	0.5
374.16183	0.7
376.16434	0.6
377.17764	0.5
387.16568	0.5
388.18060	0.8
389.18750	1.3
391.19220	3.5
392.19885	2.2
399.15945	1.2
400.17139	1.5
401.17645	1.7
402.19394	0.7
403.19574	1.2
404.20468	2.1
405.20831	5.7
406.21506	6.3
413.17691	2.2
414.18570	2.9
415.19199	5.3
416.20355	1.0
417.20810	1.5
418.21432	1.1
419.22256	1.9
420.23007	5.0
421.23856	11.6
427.19174	3.2
428.20065	3.2
429.20831	11.8
430.21735	3.1
431.18668	1.9
433.19937	2.4
433.24139	2.2
434.24640	1.4
441.21326	0.8
442.21469	1.8
443.22473	8.5
444.23480	5.9
445.20071	4.2
446.20953	1.4
447.17569	0.9
449.27481	0.7
455.18793	1.2
456.19467	2.2
457.24777	5.1
458.24939	9.2
459.21921	7.7
460.22751	6.2
461.19287	8.3
462.19958	0.7
470.21121	1.0
471.22064	2.3
472.22763	8.6
473.18967	1.8
473.23517	2.4
474.24466	0.6
475.20782	2.7
476.21954	7.4
477.26752	1.1
483.18405	0.7
485.23444	17.2
486.20413	3.6
486.24127	2.9
487.21512	2.3
488.22116	5.3
489.22916	1.8
490.23929	1.1
491.24350	0.6
493.22528	0.8
498.20441	1.0
499.21161	1.7
500.21960	2.1
501.22745	0.6
502.23932	1.0
503.24432	20.2
513.22687	3.0
514.23627	2.1
517.26123	10.1
519.23267	0.7
529.25806	1.8
535.27100	29.4
536.27631	0.9
545.25500	89.0
546.25934	3.9
547.26947	0.9
549.25140	0.8
551.27496	0.7
558.22375	0.9
563.26453	5.1
573.24982	20.9
574.24823	1.0
577.27484	0.7
578.28711	2.3
605.27582	89.3
606.27856	4.4
637.30212	100.0
638.30438	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13907	1.3
67.05510	1.6
69.69846	7.3
72.47747	1.2
81.07039	1.6
86.09715	1.2
93.07039	1.4
93.52440	1.2
95.08585	1.9
100.57085	1.3
104.10760	1.7
109.10162	1.4
119.08569	1.9
121.62098	1.3
128.47139	1.1
145.10245	1.5
183.11800	1.3
200.84074	1.2
202.15952	3.7
220.16991	1.5
233.11072	1.6
300.13745	2.8
390.19073	1.6
391.19336	3.1
393.20871	1.4
399.16144	1.4
401.17838	4.4
403.19220	1.7
405.21130	1.4
413.17685	3.9
414.18530	3.4
415.19214	5.6
417.21097	1.5
418.19101	1.4
419.18607	3.7
426.19049	1.7
428.20483	3.3
429.16281	2.1
429.21005	3.7
430.22064	1.7
431.18600	1.7
434.21533	1.3
441.16772	1.8
443.22772	3.9
444.19742	5.1
445.20206	2.4
447.17874	7.6
457.20456	2.2
458.20950	3.4
459.18262	3.1
462.20724	4.0
463.25061	1.8
471.22208	10.3
472.19055	1.6
473.20044	5.3
474.20297	4.1
475.17307	1.9
475.21997	1.7
483.22144	1.7
485.19427	2.4
486.20728	2.9
489.22787	5.7
490.19830	6.6
499.21408	17.4
500.18307	1.4
501.22977	5.4
502.20593	2.0
503.20740	2.4
507.23953	3.9
514.20013	2.7
517.22424	18.0
527.20538	3.5
529.22430	11.4
535.23395	10.6
545.21899	50.5
555.20587	2.4
559.23523	4.9
563.23077	3.2
573.21313	16.4
605.23962	100.0
606.24396	3.9
619.25134	2.9
637.26587	61.0
637.48566	1.8
638.27502	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36871	1.0
55.05490	0.7
58.87176	0.7
67.05500	1.8
71.32693	0.9
71.33029	1.1
77.89314	0.8
79.05489	1.2
91.05503	1.2
92.52612	0.7
98.21229	0.9
105.07047	1.0
129.07141	0.9
143.82440	0.8
211.12366	0.9
235.12560	0.9
363.16037	1.2
376.17270	1.1
377.17819	2.6
378.18579	1.6
379.19022	1.2
385.14444	1.8
386.15002	0.9
389.18161	1.7
390.18765	1.0
391.19495	4.3
392.19968	2.5
393.20847	4.7
398.15872	1.0
399.16229	2.6
400.16843	2.1
401.17578	4.6
404.16125	0.9
405.20908	2.9
406.21490	1.5
407.22424	7.4
408.22745	1.2
413.17755	3.1
414.18460	4.2
415.19547	6.6
417.17020	1.1
419.18631	2.5
420.19632	1.1
421.20285	6.4
425.17682	1.3
427.19485	1.9
428.20105	3.4
429.21399	6.8
430.21506	2.4
431.18805	2.5
433.20456	1.3
435.21652	5.6
436.22519	1.6
438.13950	0.9
443.18442	3.1
443.22897	2.6
444.18979	2.9
444.24042	1.5
445.20142	2.6
446.21008	1.4
447.18262	2.8
455.18710	0.8
456.19785	1.0
457.20853	5.9
458.21066	3.5
461.19348	2.3
463.21286	2.4
471.22198	7.5
472.22546	3.1
473.19650	6.3
474.20706	2.8
475.18076	0.8
475.20663	0.7
476.18170	1.2
485.19476	4.5
486.20578	6.7
487.21231	3.1
489.19363	3.8
489.23572	2.2
490.19629	5.1
491.20920	2.2
499.21408	10.0
500.22653	3.8
502.19943	1.8
503.24316	3.1
513.19025	7.7
516.21777	1.9
517.22430	16.3
518.22852	1.2
521.25543	2.5
527.20746	3.4
528.21448	1.4
529.22180	1.8
530.22937	1.1
531.24359	11.7
545.21582	1.6
549.25128	6.9
550.25153	1.4
559.23462	79.1
560.23627	2.9
573.21136	1.4
577.24213	4.4
578.25208	2.3
587.22772	14.8
591.26080	4.3
605.23798	8.2
609.26752	1.5
619.25525	75.7
620.25934	2.1
637.26575	100.0
638.26849	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	637.2657
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
71.38229	0.6
74.28967	0.3
76.32989	0.4
77.51939	0.4
90.49952	0.4
99.33115	0.4
153.76100	0.4
179.50436	0.4
182.09680	0.6
195.09128	0.4
209.20618	0.4
221.10751	0.5
223.12242	0.4
233.10907	0.5
241.40356	0.4
363.16937	0.7
364.16974	0.5
375.17206	0.5
377.17667	1.5
383.14230	0.5
385.14624	0.6
386.15594	1.6
387.16040	1.2
388.18112	0.9
389.18121	0.6
390.18527	0.4
391.19351	1.8
392.19760	1.0
393.20920	2.7
398.16245	0.8
399.16034	2.2
400.16971	3.5
401.17670	3.5
402.18442	1.2
405.16559	0.6
405.21158	0.9
406.21329	0.8
407.22433	3.3
411.16174	0.4
412.17596	0.4
413.17899	2.9
414.18607	5.0
415.19357	8.3
416.20007	1.5
417.20868	0.9
419.18936	0.5
421.20184	2.7
425.17606	1.6
427.19144	1.6
428.20471	3.7
429.21411	7.5
430.22116	2.3
435.21957	2.3
439.19305	1.1
441.17081	1.4
442.17865	1.1
443.18417	3.2
443.22717	3.0
444.18500	5.1
445.20242	2.6
447.18414	1.3
455.19376	0.9
456.19962	2.0
457.20560	5.9
458.21033	4.8
459.17810	1.0
461.19458	0.7
462.20221	0.5
467.18478	0.6
469.16495	0.9
470.16690	0.7
471.22311	8.1
472.23026	5.4
473.19327	4.0
474.20355	1.5
475.21686	0.7
483.18228	0.6
484.19113	1.2
485.19727	2.9
486.20447	5.9
487.21765	2.6
488.22067	1.5
489.22852	1.3
490.19867	3.2
498.20502	0.6
499.21423	9.7
500.22784	3.9
501.22610	0.7
502.19748	0.7
503.24847	4.0
513.19470	1.7
514.19684	0.8
516.21478	1.1
517.22351	4.1
518.23334	0.5
521.25165	0.5
527.21033	2.9
528.21722	1.0
530.23236	0.6
531.24005	12.4
541.22430	0.8
543.24011	1.2
544.21228	0.9
545.21875	1.0
549.25153	1.1
559.23425	98.5
560.23834	3.9
578.25488	0.6
587.22913	17.7
588.23376	0.5
605.23669	0.9
619.25525	100.0
620.25897	3.9
637.26569	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	637.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.0
55.05513	1.3
57.03418	0.7
67.05516	4.9
67.27812	0.8
69.07069	0.8
69.46532	6.7
70.57738	0.7
79.05498	7.9
80.05032	1.4
81.03438	2.0
81.07081	2.6
83.04990	1.0
91.05495	5.1
93.07056	6.4
94.06586	5.0
95.04983	2.1
95.08627	2.7
97.06483	1.0
98.38624	0.8
103.05483	3.5
105.05794	1.1
105.07016	5.0
106.06606	0.9
106.07356	0.8
107.07364	1.7
107.08624	3.1
108.08149	8.9
109.10172	2.0
110.09705	2.0
117.07053	1.1
118.06609	1.4
119.07305	1.4
119.08616	2.0
120.04494	1.4
120.08115	27.4
120.08769	1.2
121.06546	1.3
121.10141	1.4
122.06041	35.2
122.09673	4.4
123.10067	1.6
131.04979	0.9
131.08572	2.4
132.08113	1.1
133.10156	2.5
136.07582	19.5
136.08527	1.5
137.07957	1.1
138.05551	1.7
138.09151	1.6
143.08536	1.0
145.09119	0.8
145.10117	4.7
146.10547	1.3
147.11734	2.3
148.07582	55.3
149.07950	1.4
149.09662	1.0
150.09132	6.7
151.09505	1.9
152.07115	1.4
153.82086	0.9
155.08563	1.5
157.10150	1.7
159.11674	2.4
163.03946	2.9
163.11304	1.0
164.07127	1.0
166.08684	2.9
171.11664	1.6
173.13261	3.3
174.09259	1.0
176.05878	0.9
182.09691	1.3
183.11769	1.0
185.13257	1.3
186.09303	0.9
187.14856	2.0
189.12808	1.0
190.08766	1.0
191.14320	2.1
192.14777	1.3
193.07706	1.0
194.08345	1.6
197.10796	1.3
198.13669	1.0
199.14912	1.1
203.14363	1.0
207.09233	2.4
208.09935	3.8
209.10747	6.7
210.11385	1.2
215.10680	0.9
218.08363	0.9
220.09970	1.4
221.07086	2.0
221.10823	2.7
222.07921	3.0
222.11427	1.4
223.08711	2.4
223.12389	2.9
224.09323	2.2
225.10301	3.7
227.08197	1.6
229.14426	1.3
235.08673	11.6
236.09467	20.0
237.10248	50.2
238.10811	3.2
239.08171	2.0
239.11871	2.6
240.09023	1.9
241.09920	2.0
247.02441	0.9
248.09421	2.3
249.10243	35.2
250.07487	5.7
250.10905	12.7
251.08028	4.4
251.11812	15.0
252.08850	6.0
252.12433	1.1
253.09727	8.6
254.10277	1.5
255.11261	2.0
261.10242	4.4
262.10907	1.3
263.08237	6.0
263.11871	2.8
264.08945	28.2
264.11838	1.0
265.09726	17.9
265.13324	2.0
266.10278	6.8
267.07291	1.2
267.08530	1.1
267.11258	7.7
268.11884	1.2
269.09213	1.9
276.08960	1.1
277.09744	32.8
278.07208	1.7
278.10413	12.6
279.07840	3.9
279.11243	29.8
280.08780	1.5
280.11948	5.5
281.09277	9.5
281.12723	3.0
282.09976	2.9
282.13553	1.0
283.10855	3.3
284.11395	1.0
289.09711	1.8
291.07755	4.8
291.11023	1.8
292.08527	5.4
292.11746	2.0
293.09265	100.0
293.12787	13.0
294.09866	4.5
294.13235	1.6
295.10767	8.0
296.11111	1.5
297.09009	2.0
297.12393	1.7
298.09457	1.6
299.10550	0.9
299.14185	1.0
300.11057	1.0
300.14624	1.0
304.08490	1.3
305.09213	20.0
305.12454	1.7
306.09927	3.4
307.10770	28.3
308.11237	2.2
309.08762	7.7
309.12393	4.7
310.09250	2.4
310.12704	1.7
311.10324	6.1
311.13968	3.7
312.11029	3.1
313.11819	5.3
314.12897	2.5
315.13394	1.5
316.13992	1.0
319.10388	1.2
320.11261	1.7
321.08905	1.3
321.12494	1.9
322.12924	1.9
323.10312	16.3
324.11121	3.8
325.11850	6.9
326.12637	3.6
327.13437	3.4
328.14413	3.2
329.15393	1.2
333.08713	12.2
335.10477	1.6
336.10590	1.0
337.11862	6.0
338.12277	4.7
339.09784	1.5
339.13422	14.4
340.13962	2.9
341.11292	1.4
341.15054	1.5
342.12286	4.2
342.16168	2.6
343.13074	2.4
347.10117	1.9
351.09781	44.4
352.10526	2.0
353.11353	3.6
353.14966	5.5
354.12015	2.3
354.15735	3.1
354.27530	0.9
355.12851	5.0
356.13910	4.6
357.14597	3.5
365.11447	4.6
366.12085	23.9
367.13068	2.3
368.13852	2.4
369.14709	1.6
370.11792	4.6
370.15732	2.5
371.12164	10.5
371.15665	1.5
372.17172	3.0
380.13507	1.3
383.12408	16.5
383.17001	1.5
384.13245	2.9
384.17514	1.4
385.13855	11.7
386.14633	3.9
397.14038	3.1
398.14719	19.0
399.15628	2.0
400.16470	5.0
415.14944	1.3
417.16617	1.1
418.17773	1.1
428.16022	5.2
430.17938	1.6
432.19345	3.2
439.32745	2.0
440.27347	2.2
444.15640	1.1
446.17017	1.9
452.28662	4.2
458.16925	4.0
460.18823	3.7
461.19037	1.2
473.19370	1.8
474.20233	1.1
486.16669	12.2
487.16656	1.0
488.18173	14.0
490.19882	3.6
492.21719	1.3
498.29141	1.3
501.19098	2.0
502.19684	1.5
518.19171	9.4
519.19977	1.6
520.20819	39.1
532.17126	4.0
533.21570	4.3
534.22046	2.2
536.20099	1.8
546.18707	4.2
551.22565	9.4
556.30713	1.1
561.20978	16.3
562.21814	1.7
564.19812	37.8
565.23590	3.3
578.21381	13.9
587.18927	1.0
590.17688	2.3
592.22980	2.3
593.23438	88.8
594.23431	2.4
605.20160	17.6
606.20532	1.2
619.21497	2.8
622.20349	14.2
637.22589	82.5
638.22797	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	637.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60982	0.1
67.01872	0.6
68.99806	0.3
69.03407	0.2
71.01335	0.5
71.16585	0.2
73.02914	0.3
79.78176	0.1
85.02908	3.3
91.05483	0.5
95.01350	0.8
97.02888	0.1
99.00838	0.1
101.13663	0.1
103.60826	0.1
111.04410	0.2
113.02366	0.8
114.16711	0.1
119.04942	1.7
121.02871	0.5
123.00745	0.2
127.03940	0.2
129.01822	0.1
131.03403	0.4
141.01811	0.7
145.02881	0.5
153.01837	4.5
154.08641	0.2
155.03406	1.7
159.02925	0.4
161.19246	0.1
163.03899	0.5
171.02934	0.5
173.04443	0.5
187.03786	0.2
191.05399	0.2
225.05472	0.4
229.04990	0.3
242.05820	0.3
243.06526	0.2
245.39575	0.1
261.10593	0.1
270.05264	0.2
271.06015	100.0
272.06348	1.7
285.07617	2.1
313.07211	0.2
461.10791	2.3
637.14099	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	637.1402
Annotation	Acacetin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
55.72835	0.1
58.43506	0.1
65.92990	0.1
67.01846	0.1
68.99802	0.1
69.37699	0.5
71.01362	0.3
73.02900	0.3
76.66307	0.1
79.19669	0.1
79.89207	0.1
81.67836	0.1
85.02442	0.1
85.02909	1.0
95.01302	0.3
97.02859	0.1
104.26047	0.1
113.02364	0.3
115.16023	0.1
129.05833	0.1
131.03394	0.2
133.06497	0.9
135.04420	0.4
141.01846	0.7
145.02840	0.1
153.00703	0.1
153.01826	1.4
159.02945	0.1
159.04390	0.2
163.03891	0.1
171.02853	0.2
177.05482	0.3
228.15933	0.1
239.07054	0.1
242.05748	12.4
243.06317	0.3
261.07443	0.1
270.05240	10.5
271.05600	0.2
284.07010	0.1
285.07584	100.0
286.07935	1.8
297.07617	0.1
315.13370	0.1
327.08630	0.2
443.09760	0.1
461.10800	3.1
462.10941	0.1
559.68378	0.1
637.14026	2.8
637.35675	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	636.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.7
55.05508	11.7
57.07053	3.2
67.05495	17.3
69.03439	7.8
69.07063	16.8
69.84937	18.4
79.05502	19.7
79.48076	2.9
81.03403	3.6
81.07066	44.1
83.04971	8.9
83.08641	8.8
85.02898	9.2
91.05489	30.0
93.07059	43.3
95.04957	7.8
95.08604	36.9
97.06514	12.7
98.20871	4.8
99.04495	4.1
101.02390	8.3
105.06375	6.1
105.07040	74.1
107.08604	58.9
109.02863	3.2
109.06517	10.3
109.10178	20.7
111.08080	5.6
115.07567	10.4
117.06990	15.0
119.03414	5.7
119.08586	100.0
121.06520	10.8
121.10146	44.4
123.08077	12.1
123.11669	6.8
125.09612	5.2
128.06239	4.1
129.07025	16.8
131.08569	61.0
133.10135	47.5
135.08031	11.5
135.11717	15.4
137.09651	3.8
141.06996	8.6
142.07758	12.8
143.08563	38.9
144.09322	6.8
145.10135	88.3
147.04427	6.4
147.08032	8.5
147.11700	62.0
149.09579	7.3
149.13261	32.9
155.08539	18.7
156.09348	13.0
157.10141	51.8
158.10851	5.8
159.11694	80.6
160.68318	3.6
161.09654	11.0
161.13260	31.2
163.03957	3.6
163.11194	9.2
163.14861	8.8
163.62263	3.4
168.09401	3.6
169.10107	30.2
170.10881	11.0
171.11684	41.0
173.09586	5.6
173.13275	65.1
175.11171	10.5
175.14832	30.3
177.12810	6.3
177.16379	26.7
181.10127	5.3
182.10909	8.8
183.11717	27.8
185.13269	45.5
187.11227	8.5
187.14847	56.1
189.12758	19.0
189.16406	12.0
191.14307	23.8
195.11745	7.5
197.13248	45.8
199.11140	10.6
199.14819	48.0
201.12698	23.3
201.16406	13.8
203.14343	39.8
204.06606	3.7
205.15898	66.4
207.11812	3.4
207.13921	4.3
209.13231	8.4
211.11241	4.8
211.14857	11.3
213.12802	6.4
213.16373	12.0
215.14328	38.7
215.17967	4.1
217.12381	5.9
217.15933	14.3
219.17509	3.2
221.13394	7.2
221.15407	17.6
223.14856	5.1
225.12766	5.8
225.16422	5.6
227.14255	5.0
227.17830	5.2
229.16026	4.6
231.13837	9.9
231.17387	4.0
233.15422	4.1
235.13292	9.2
237.16388	5.7
239.17915	6.1
241.19586	3.5
243.13805	19.2
247.13269	10.2
251.17886	6.6
253.19617	3.9
257.15485	3.7
261.14777	18.4
265.19489	4.2
267.21301	4.0
303.21158	4.4
311.88321	3.4
333.16953	10.4
353.16052	22.3
353.26956	5.0
359.27542	4.3
363.14249	7.4
373.28662	3.6
379.17514	22.4
401.28436	14.7
403.29987	7.3
419.29486	17.6
421.31207	8.8
437.30759	15.4
439.32370	8.0
447.28998	30.9
455.31314	6.3
465.29980	30.0
483.30948	7.2
501.31992	5.0
525.28284	17.8
537.32098	12.5
553.31183	5.3
555.33081	10.1
565.31635	16.3
571.32471	4.6
583.32690	70.6
601.33032	6.2
636.37280	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	636.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.05517	6.8
57.07066	2.7
65.03947	1.3
65.63889	1.2
67.05511	10.2
67.38374	1.3
69.03412	1.7
69.07084	8.1
69.26015	10.6
69.26427	3.6
71.04990	2.7
79.05497	13.5
81.07066	16.5
83.04984	2.4
83.08612	1.4
87.00814	3.2
91.05481	16.4
93.07052	19.5
95.04965	3.2
95.08606	20.3
97.06528	11.3
105.07037	81.0
107.08599	34.2
109.06514	5.4
109.10168	10.5
111.08106	4.2
115.07572	6.0
117.07034	9.7
119.08594	61.5
121.06514	28.9
121.10143	19.1
123.08098	7.9
123.11694	3.4
128.06221	3.5
129.07010	8.7
130.07770	4.0
131.08577	60.8
133.06560	1.9
133.10146	31.7
134.15849	1.3
135.08052	15.3
135.11694	12.7
137.09575	3.7
141.06996	4.4
142.07799	8.5
143.08568	29.6
144.09322	5.0
145.10133	100.0
145.56067	1.3
147.08054	9.4
147.10498	1.7
147.11687	34.3
147.12788	2.7
149.05972	1.6
149.09612	6.4
149.13213	4.6
151.07574	1.5
151.11118	1.5
154.07724	1.7
155.08539	12.9
156.09348	8.8
157.10138	43.1
158.10941	4.4
159.08092	3.8
159.11711	53.8
159.13031	3.0
161.06126	1.3
161.09653	14.3
161.13278	20.5
163.07544	1.5
163.11206	11.8
163.14842	17.8
167.08554	2.6
168.09341	5.3
169.10120	18.8
170.10936	13.3
171.11696	30.6
172.08798	1.8
172.12381	2.9
173.09628	4.4
173.13280	83.7
175.11191	9.7
175.14813	20.9
176.12004	2.5
177.12752	5.5
181.08676	1.6
181.10123	7.6
182.10931	9.3
183.11708	54.7
184.12402	1.7
185.09653	2.5
185.13272	52.5
187.11259	8.2
187.14841	48.7
187.16211	0.9
189.12747	17.7
189.16360	2.6
191.14322	57.6
191.16060	3.1
193.10327	1.4
194.10938	1.9
195.11697	5.1
197.13281	39.6
199.11203	8.3
199.14842	34.9
201.12747	21.7
201.16367	10.8
203.14333	26.2
205.12256	1.9
205.15865	4.4
207.11832	2.3
207.13753	3.1
209.13326	7.3
211.11185	4.1
211.14870	6.5
213.12794	7.4
213.16393	4.9
215.10803	2.0
215.14340	17.5
217.12244	4.4
217.15872	8.9
219.13788	3.2
219.17393	4.0
221.13332	2.0
221.15379	3.7
223.14786	6.5
225.12900	2.3
225.16406	7.2
227.14301	3.2
227.17886	2.6
229.12289	2.0
229.15955	1.7
231.13799	15.6
233.11507	1.7
233.15401	2.6
235.13199	15.4
237.16501	3.5
239.17982	1.7
241.15785	2.5
243.13831	5.2
243.17528	2.7
245.15384	6.5
245.19061	1.6
247.13176	3.2
247.16907	3.5
249.14867	5.3
251.17989	3.1
261.14749	2.5
263.16107	1.4
265.19507	2.4
273.14767	1.8
275.18286	1.9
277.19644	2.3
303.21216	2.0
307.15390	9.2
319.15408	4.5
321.22009	1.6
331.24319	1.5
339.14365	3.9
347.14816	2.7
349.12827	4.4
363.09589	1.6
363.14197	2.1
365.16174	1.8
369.25769	2.6
371.27307	4.5
387.27045	9.5
389.28513	7.4
391.17557	2.4
405.28009	14.9
407.29437	5.5
415.26169	4.9
417.27905	4.5
423.28906	4.6
433.27466	31.6
434.27408	1.4
435.29041	12.1
451.28464	69.0
452.28970	2.1
453.29953	8.2
461.26688	6.1
469.29602	22.9
479.27969	19.9
491.27811	1.9
497.29025	32.8
509.28766	5.5
515.30109	17.1
519.27130	1.6
537.28516	12.9
555.29535	39.5
565.27844	2.8
573.30682	8.6
583.28583	5.6
601.30084	9.9
619.31219	6.2
636.33551	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	635.3949
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.05498	8.7
57.07056	2.8
64.98909	1.9
67.05511	12.9
69.03426	2.5
69.07062	6.1
79.05492	8.0
80.36572	2.1
81.03400	3.6
81.07065	14.2
83.08616	7.9
83.61236	2.0
91.05490	20.7
93.07054	15.7
94.78291	2.0
95.04989	3.5
95.08064	2.1
95.08620	25.5
97.06526	2.6
99.08092	3.2
105.07047	14.8
107.08584	19.4
109.10159	13.4
110.75775	2.0
111.57474	2.3
113.09620	2.2
117.07022	3.9
119.04950	25.3
119.08585	29.8
121.10134	20.0
123.11703	4.0
129.07011	4.8
131.08563	14.8
133.10138	22.5
135.11658	11.3
137.13237	3.3
143.08551	7.6
145.10149	20.7
147.04422	100.0
147.11703	12.8
149.13220	7.2
155.08450	2.6
157.10115	6.5
158.10905	2.6
159.11700	15.3
161.13268	8.5
163.03899	5.3
163.11186	4.8
163.14851	5.6
165.05498	8.8
166.98575	2.7
171.11714	6.1
173.13286	10.0
175.14873	12.8
177.16402	6.1
181.65565	2.4
183.11789	3.1
185.13255	8.3
187.14850	16.0
189.16376	8.3
197.13286	3.8
199.14905	9.6
201.16431	16.9
203.14284	7.5
203.17975	8.3
205.15874	8.9
207.17352	3.7
209.13219	2.6
211.14845	4.4
213.16423	5.2
215.18004	3.9
219.17316	2.5
227.17838	2.9
233.15485	2.7
239.18068	2.7
245.15417	3.6
247.16838	2.7
249.14882	6.7
322.10260	2.2
374.98932	6.3
389.31949	3.7
407.33099	18.7
409.30511	2.9
425.33737	3.7
435.32709	12.3
453.33746	8.4
471.34430	2.3
617.38495	3.5
635.38861	7.5
642.08044	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	635.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05300	0.7
55.05516	8.0
55.39108	0.8
57.07058	2.2
60.15857	0.7
65.03946	1.8
67.05502	7.8
69.07066	8.3
69.31201	7.0
74.93435	0.6
79.05489	5.7
80.29813	0.8
81.07056	17.7
83.08618	13.9
89.07664	0.6
91.05481	19.8
93.07049	14.6
93.08898	0.7
95.04961	1.1
95.08610	28.9
97.06488	0.9
97.10126	1.3
99.08092	2.6
105.07032	20.2
107.08599	25.1
107.60468	0.7
109.06500	1.3
109.10154	12.3
117.07043	3.6
119.04945	28.4
119.08581	38.9
121.10146	16.9
123.08037	0.7
123.11710	9.6
128.06152	0.8
129.07018	2.7
131.08568	12.6
133.10133	17.3
135.11693	14.1
137.09679	0.8
137.13268	4.0
141.07040	1.1
142.07773	1.3
143.08594	6.4
144.09383	0.7
145.10130	19.3
146.10837	1.0
147.04414	100.0
147.11690	16.1
148.04713	0.9
149.13261	8.5
151.07576	1.6
151.14890	0.8
153.09097	1.1
155.08546	2.1
156.09253	1.3
157.10153	9.4
158.10893	2.3
159.11693	18.4
161.13252	9.7
163.07576	2.1
163.11162	0.7
163.14815	7.0
165.05484	22.3
165.06877	1.4
168.09277	0.7
169.10162	4.2
170.10912	1.3
171.11691	8.8
172.12497	1.0
173.13252	11.6
174.14063	0.9
175.14841	14.6
177.09094	1.4
177.16389	8.6
179.14360	1.6
181.10168	1.0
183.11717	3.5
184.12540	1.3
185.13275	7.7
187.14827	14.8
188.15659	0.8
189.09024	0.7
189.16386	18.3
191.17970	5.0
195.11659	1.7
197.13274	4.2
198.14252	1.1
199.14809	10.5
200.15640	0.8
201.16389	29.1
203.14360	4.2
203.17943	8.4
205.15868	6.5
207.17424	4.8
209.13258	1.8
211.14781	7.4
213.16380	10.5
215.14478	1.2
215.17975	4.8
217.16043	1.3
217.19550	2.0
219.13870	1.7
219.17540	2.2
221.15399	1.3
223.14835	1.1
225.16449	2.5
227.17960	2.4
229.19562	1.3
231.13840	0.8
231.17500	2.4
233.15340	3.5
237.16335	2.1
239.17986	2.4
241.19550	2.6
243.21161	0.8
245.15337	4.7
245.19212	0.8
247.16875	3.8
249.14824	4.8
251.17807	1.5
253.19562	2.4
255.21057	1.6
259.16946	7.0
265.19522	1.6
267.21182	3.3
281.22693	1.0
285.18491	1.1
287.20084	1.1
291.21201	0.8
297.18484	1.2
299.20068	2.2
307.24091	1.6
327.23218	1.7
335.27051	1.0
341.24756	0.8
347.27408	0.8
353.24722	2.3
363.30331	1.6
374.99042	0.8
379.26102	0.8
389.32153	10.2
391.33554	1.9
407.33167	15.7
409.30899	17.3
418.33209	0.9
425.34161	1.8
427.32449	1.2
435.32593	34.6
436.32855	0.9
453.33685	12.9
487.17780	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	634.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01876	4.6
55.05521	14.0
57.03441	12.4
59.04990	5.9
59.64902	1.4
60.07013	1.9
61.02913	4.8
65.03941	2.5
67.05511	70.6
69.02414	1.8
69.03423	4.4
69.07057	3.1
69.57169	11.5
71.05008	8.9
71.05365	1.4
73.02916	1.7
79.05493	13.9
81.03428	12.1
81.07063	21.4
83.01343	4.7
83.04987	7.8
83.08622	8.9
85.02904	11.7
85.06548	2.7
89.69213	1.5
91.03960	2.6
91.05495	23.5
91.06059	1.3
93.07056	21.1
95.04942	5.5
95.08109	1.4
95.08604	8.6
97.02896	8.3
97.06550	3.1
97.10178	2.1
99.04444	4.3
105.07050	10.8
106.07484	1.4
107.04973	7.1
107.08616	12.0
107.54646	1.4
109.02887	5.9
109.06512	5.7
109.10165	67.1
111.04464	2.8
111.08094	6.1
117.07014	8.8
119.04961	19.6
119.08601	14.9
121.10178	7.5
123.08073	6.5
125.09647	2.2
127.03100	1.7
127.03916	8.5
131.08589	2.9
133.10167	3.9
135.08069	7.5
135.11716	9.3
136.08368	1.7
137.09610	4.7
145.10139	13.9
146.71762	1.6
147.04424	90.6
147.08157	2.2
147.11621	1.8
149.02368	10.9
153.12798	1.9
155.10686	3.9
159.11746	3.0
161.09639	1.6
163.03906	2.5
163.11229	17.5
165.05519	6.0
173.09560	1.9
173.11763	21.0
173.13223	2.2
187.07558	2.0
203.14348	3.1
209.11732	4.4
227.12766	3.0
229.14372	83.3
259.20737	2.9
283.15451	75.0
291.08926	2.1
351.25134	1.7
395.09802	13.1
437.25397	100.0
472.31198	2.0
634.36688	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	634.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02221	0.6
55.01815	0.6
55.05439	1.2
57.03355	1.6
57.03614	0.8
61.02861	0.7
67.05410	8.1
67.11301	0.5
69.07018	0.7
70.03790	2.4
79.05396	2.6
80.04282	0.5
80.04927	1.0
81.03334	1.3
81.06952	2.5
83.04887	1.0
83.08545	1.1
85.02808	1.5
91.05370	2.7
93.05676	3.5
93.07039	3.1
94.06461	3.1
95.04895	1.2
95.08501	1.9
97.06506	0.6
105.06947	1.2
106.06483	0.9
107.07273	1.1
107.08485	1.9
108.08123	12.3
108.08789	0.7
109.10152	8.4
117.05701	0.6
117.06965	1.3
118.06441	1.4
119.08510	1.4
120.07983	1.5
121.10017	1.3
122.06033	2.9
122.09573	1.6
123.07977	0.9
129.06889	1.0
131.07294	0.8
132.07982	1.3
133.10014	0.9
134.05901	0.9
134.09526	0.7
135.06696	1.3
135.11610	0.8
136.07576	12.7
137.09506	0.7
145.09973	1.5
146.05875	2.5
148.07460	2.2
150.08980	1.7
152.06902	1.1
156.08023	1.3
162.05431	0.8
162.09013	1.1
163.03842	1.0
163.06271	0.6
163.11093	2.2
164.07062	10.4
166.08528	0.9
173.11603	2.0
178.08615	3.2
180.10049	0.8
184.07538	0.6
186.09027	0.9
194.08102	0.6
199.08568	0.6
202.08557	1.2
203.14178	2.2
206.08208	0.7
220.09807	1.2
221.10660	0.9
223.08612	3.0
225.09955	0.5
229.14342	10.8
233.10620	0.8
235.08638	3.8
236.09529	3.1
237.10245	7.2
238.10825	0.7
247.08522	1.3
248.09338	2.5
249.10280	8.2
250.10941	0.9
251.08162	3.5
251.11687	1.7
259.08563	1.3
260.09384	1.0
261.10263	2.6
262.11002	1.3
263.08255	2.7
263.11688	3.2
264.09006	4.9
265.09723	9.6
266.10355	2.4
267.11063	1.4
273.10159	2.5
275.08221	1.4
275.11508	1.1
276.08847	2.5
277.09717	9.1
278.10297	2.9
279.07574	1.8
279.11194	5.3
280.11905	1.3
281.09299	0.6
281.12650	1.2
283.15411	8.7
287.08200	0.7
287.11621	0.6
288.08905	3.3
289.09723	3.8
290.10361	2.2
291.07541	1.6
291.11176	4.2
292.08347	1.9
292.11710	1.0
293.09119	3.9
293.12720	1.4
294.09949	0.9
295.10699	1.3
297.12402	1.1
298.13354	0.9
301.09595	2.0
303.07825	0.8
303.11127	1.7
304.08374	1.5
305.09119	3.9
305.12552	1.3
306.09903	0.9
307.10733	8.2
308.11551	1.2
309.12344	1.6
310.13235	1.6
311.10672	1.6
312.11307	0.9
312.14795	1.3
313.12354	0.9
316.08255	2.5
317.09161	3.6
318.09879	1.9
319.06992	1.7
319.10678	8.6
320.11429	0.9
321.08737	1.1
321.12332	2.1
322.13599	1.3
323.10742	1.0
324.11295	2.4
324.14859	1.2
325.08511	0.7
325.12012	4.0
325.15671	1.0
326.12741	4.1
326.16467	1.6
327.13760	1.3
328.14362	1.9
329.09106	1.5
331.10690	2.1
333.08514	1.4
333.12280	2.5
335.10165	2.0
336.11172	1.2
336.15063	0.7
337.08249	0.9
337.12216	3.3
338.09628	0.6
338.12939	7.3
339.10211	1.2
339.13702	7.7
340.10828	1.6
340.14316	8.2
341.11459	2.1
341.15204	1.9
342.12396	0.9
342.16055	1.9
344.07941	0.9
345.08554	0.7
347.10104	2.1
349.11993	1.7
350.12659	2.0
351.09836	2.0
351.13828	2.6
352.10605	3.2
352.14383	7.5
353.11411	7.6
353.15283	2.2
354.12238	7.1
354.16010	6.8
355.12952	2.8
355.16953	1.0
356.13937	3.1
356.17642	0.8
359.10245	4.0
361.11905	1.2
363.13907	0.7
364.10410	1.2
364.14487	2.5
365.11362	5.4
365.15408	0.6
366.12299	10.4
366.16119	1.8
367.08994	0.9
367.13092	11.2
367.17236	1.1
368.13931	18.5
369.14688	2.9
370.11563	0.8
370.15506	3.4
370.19464	0.8
371.12460	0.7
376.14258	0.7
377.11588	1.5
378.12286	2.3
379.13174	3.9
380.13995	13.4
381.10785	2.6
381.15085	4.4
382.11584	4.7
382.15805	14.8
383.12393	2.2
383.16895	3.4
384.13138	2.5
384.17230	1.7
387.09698	0.7
392.13956	3.1
393.14621	1.9
394.11188	6.4
394.15637	4.1
395.12317	5.5
395.17126	0.7
396.13321	18.9
397.13931	3.3
398.14755	4.0
398.19354	1.1
399.11591	0.7
400.16733	1.3
405.10703	1.8
406.11572	0.8
407.12488	1.3
408.13229	8.2
409.14334	6.4
410.15082	14.2
411.16220	5.2
412.12643	2.3
412.16522	2.9
414.14029	1.2
420.13321	1.5
421.14197	1.2
422.10876	1.9
422.15063	2.8
423.11646	1.0
424.12234	8.3
424.17465	1.7
425.13467	1.6
426.13821	4.9
427.15332	2.3
428.16779	3.0
429.16690	1.0
436.12222	2.7
437.13739	3.1
437.25357	12.3
438.13672	4.0
439.15121	2.5
440.11716	1.7
440.16241	2.4
442.18491	2.7
444.15109	1.4
450.10864	1.2
452.16016	3.1
454.13766	2.3
454.18387	1.3
455.14688	2.5
456.15646	3.7
458.21509	1.3
464.15994	2.5
465.13333	0.8
466.14056	1.6
468.11417	0.9
469.12146	1.1
470.18018	5.6
471.18091	0.9
472.18854	1.1
480.15912	0.8
482.17328	3.1
483.14456	1.1
484.14893	2.0
486.20691	3.9
488.18277	1.1
498.16541	7.2
499.16824	0.8
502.19763	1.3
508.14890	1.2
512.18109	1.6
514.19873	6.6
516.17719	5.0
526.16119	3.0
530.19226	8.3
540.17645	5.8
543.16254	0.9
546.22058	0.9
548.20355	7.8
558.18701	100.0
559.19043	3.5
574.18323	1.2
584.16760	1.2
590.21326	49.2
591.21759	2.0
602.17694	73.1
603.17615	2.7
616.19556	2.8
634.20313	73.7
635.20544	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	633.3788
Annotation	Myriceric acid A
Peak:m/z	Relative Intensity
53.03955	1.9
55.05519	8.2
55.63459	1.4
56.17930	1.4
57.07074	3.3
57.70070	1.4
58.82761	1.2
65.03951	2.9
67.05511	10.2
69.03438	1.4
69.07066	9.9
71.60229	2.1
76.85121	1.4
79.05487	12.3
81.03396	1.5
81.07059	19.4
83.04993	2.3
83.08636	10.9
85.06532	1.7
90.94859	2.2
91.05481	23.2
93.07049	16.8
95.04980	2.8
95.08614	27.8
97.10195	2.3
105.07032	28.7
107.08600	23.3
109.06506	3.6
109.10147	10.8
111.16877	1.4
115.05495	2.0
117.07011	5.2
119.04952	28.5
119.08585	38.0
121.06533	1.9
121.10151	18.4
123.08081	1.6
123.11710	5.8
129.06999	3.4
131.08569	15.7
132.95854	2.9
133.10144	18.7
135.08109	2.7
135.11714	18.2
137.09665	2.3
137.13217	2.0
142.07784	3.6
143.08589	11.3
145.10136	27.8
146.97362	1.7
147.04419	100.0
147.11707	15.2
149.06009	2.3
149.09602	2.0
149.13269	7.5
151.07582	1.9
155.08594	4.1
156.09341	4.1
157.10141	14.4
159.11697	25.3
161.13251	8.0
163.03925	7.6
163.07579	2.7
163.11240	2.3
163.14804	4.3
164.98444	5.8
165.05484	18.8
168.09283	1.8
169.10191	6.9
170.10870	1.7
171.11708	11.4
173.13271	27.8
175.11198	2.4
175.14859	16.5
177.12712	2.2
177.16405	6.4
179.08621	1.9
181.10162	1.9
181.12181	1.6
183.11707	12.9
185.13232	10.8
187.14830	18.0
189.12820	2.2
189.16377	17.4
191.17960	4.0
193.10248	1.9
195.11676	5.1
197.13370	7.2
198.96861	4.8
199.11201	2.2
199.14845	12.5
201.12756	23.6
201.14569	2.5
201.16425	12.7
203.14279	2.1
203.17958	4.4
205.12225	4.6
205.15918	8.5
207.11671	1.9
209.13271	4.7
211.14871	3.9
213.16374	3.8
215.14323	2.8
215.17908	2.8
217.15915	3.3
219.13779	2.0
219.17509	3.0
221.13312	1.8
221.15414	3.3
223.14888	3.9
225.16373	1.8
227.18079	2.1
229.16002	1.7
229.19545	2.1
233.00905	1.5
235.14934	1.6
237.16478	3.7
239.17926	2.2
245.15521	1.6
247.13219	11.9
247.16980	3.4
251.18001	3.9
257.15402	5.3
262.93127	3.2
265.19818	1.9
277.19693	1.7
283.71930	1.4
298.95343	3.6
333.15137	12.3
335.25839	5.7
361.28787	4.0
372.99146	8.0
387.30453	5.5
389.31696	2.0
405.31631	10.4
407.18628	5.1
407.29224	13.4
423.32620	2.8
433.31027	21.3
451.32162	16.3
469.32996	2.8
481.10452	1.7
615.19116	4.8
633.19556	2.4
633.40558	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	631.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.2
53.03947	0.8
53.15260	0.2
55.01872	0.2
57.03455	0.1
62.50465	0.2
65.03944	1.4
67.01881	1.0
68.99783	0.4
69.03429	0.8
69.60313	1.2
71.05005	0.5
80.69820	0.2
81.03423	5.9
81.03907	0.3
85.02923	0.4
87.00829	1.0
89.03913	0.3
91.05485	10.7
95.04981	0.3
97.02897	8.5
99.04436	0.9
107.04964	0.6
109.02122	0.4
109.02884	10.0
116.04990	3.4
119.04949	23.8
121.02879	0.3
123.04465	0.2
124.92969	0.2
125.02360	0.8
127.03926	13.0
131.04865	0.2
133.06525	0.2
135.04367	0.3
141.07030	0.3
145.02892	0.3
147.04416	100.0
148.04790	0.9
153.01805	0.4
153.06982	0.3
157.06493	0.3
165.05518	2.9
165.07039	0.5
173.02336	0.5
173.05997	0.3
179.82069	0.2
181.06544	0.2
183.08070	0.4
185.06100	0.3
191.03418	1.2
195.02933	0.3
209.05984	0.5
211.07498	0.9
213.03915	5.5
227.06941	0.3
229.08652	0.7
231.05005	0.8
237.05518	0.4
255.06537	3.3
273.07574	0.7
291.08478	0.2
299.03958	0.5
317.04959	0.4
359.07388	0.3
377.08713	4.8
481.09772	10.0
631.31335	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	630.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
53.17678	0.4
55.01876	1.8
57.03428	1.9
61.02943	2.2
66.43800	0.5
68.99782	1.7
69.03436	9.3
69.07111	0.5
70.06593	0.9
70.71705	0.7
70.72063	0.8
71.04991	1.2
73.02918	2.2
74.30424	0.4
79.05488	1.2
81.03421	11.5
82.74607	0.4
85.02910	11.7
86.09694	1.3
87.00831	6.3
89.59002	0.4
91.05478	1.8
97.02894	6.2
99.04459	3.1
103.03963	3.7
103.05463	5.7
104.22115	0.4
105.01868	2.6
106.06570	3.6
107.04943	0.6
107.08639	0.5
107.48200	0.4
109.02880	11.2
115.05396	0.6
117.01832	0.8
118.06561	3.2
124.03953	0.8
126.05500	1.2
127.03911	8.6
129.01863	2.9
130.06540	10.4
132.04468	0.8
134.06020	9.5
144.08089	3.5
145.04967	2.2
146.06009	1.4
147.02899	0.7
158.06021	100.0
159.02870	2.3
159.06406	1.5
160.07588	0.9
171.02927	0.7
172.07571	4.4
176.07089	16.9
187.14455	0.6
188.07022	3.1
189.03929	0.8
196.07564	0.6
200.07074	4.2
214.08667	1.0
218.08148	1.4
231.05031	0.6
242.08206	2.1
260.09265	1.1
296.11337	2.1
299.17462	0.5
320.11389	0.7
338.12250	2.4
346.09061	0.7
364.10275	4.2
382.11328	59.2
383.11539	1.3
424.12256	1.1
544.16608	2.7
586.17413	1.0
612.16071	0.6
630.16577	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	629.273
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
52.05596	0.5
54.55735	0.6
67.05494	1.3
69.07072	0.7
71.59199	1.1
75.42247	0.6
81.07072	1.0
89.06025	1.9
93.07040	0.6
101.02787	0.6
109.80969	0.7
112.39287	0.7
133.08662	1.3
148.85101	0.6
177.87592	0.6
198.54718	0.6
276.91632	0.6
373.97739	0.6
530.17004	0.7
629.27362	100.0
630.27979	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	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
53.91988	1.9
55.01870	8.5
55.05514	42.7
56.36940	1.9
57.03443	22.4
57.07082	10.7
64.31163	2.3
65.03931	5.7
67.05508	96.1
69.07072	43.1
70.78170	6.1
71.04993	9.7
71.08631	5.3
79.05498	73.6
81.06576	5.1
81.07060	100.0
83.04975	7.1
83.08624	26.4
85.06552	6.9
89.06047	4.4
91.04903	2.4
91.05046	1.2
91.05483	62.2
93.07050	67.0
94.07376	2.7
95.04984	12.0
95.08611	75.6
97.06557	13.2
97.10184	15.8
99.08105	8.2
104.32526	2.0
105.07033	62.4
107.04964	5.6
107.08601	45.8
109.06522	9.8
109.10169	33.7
111.08073	5.6
111.11774	2.3
113.09695	4.3
117.07006	22.5
119.08589	50.7
121.06496	3.9
121.10142	24.5
123.08073	5.2
123.11710	10.1
125.09637	6.3
128.06267	3.2
129.07008	12.8
131.08560	43.0
133.10127	35.9
135.08067	4.3
135.11694	17.0
136.03975	4.3
137.09625	3.3
137.13272	4.0
141.07002	4.7
142.07768	3.2
143.08565	15.7
145.10132	39.6
147.08012	3.0
147.11693	25.9
149.09630	10.2
149.13286	9.3
151.11218	3.0
155.08606	6.4
157.10124	16.9
159.11691	28.4
161.13271	14.2
163.11221	5.0
163.14871	4.4
165.12781	2.5
169.10141	11.0
171.11655	12.3
173.13252	14.6
175.14839	9.7
177.12738	3.2
181.10178	3.3
181.12036	2.8
183.10281	2.6
183.11687	11.2
185.13269	16.6
187.11191	2.6
187.14838	9.0
189.11186	2.8
189.12785	3.3
189.16548	3.0
195.11743	3.1
197.13252	6.4
199.14809	6.6
201.16415	8.1
203.14360	6.8
205.15919	6.8
207.13763	2.7
211.14821	4.0
213.16449	5.1
215.17873	3.7
219.17456	18.8
227.17839	3.2
229.19548	5.1
231.17412	2.8
239.18057	7.5
241.19467	3.1
243.21283	2.7
253.14352	2.6
257.19067	10.1
259.20554	3.4
263.23792	2.6
273.18399	2.4
275.20044	35.8
277.21667	5.2
291.19724	6.3
293.21152	4.2
331.22452	3.8
337.27408	36.3
349.19986	3.2
349.23703	16.3
465.36526	2.2
517.38800	26.2
519.41565	6.5
537.42865	6.6
541.38898	2.9
543.40302	5.8
555.44183	4.2
557.42139	26.1
593.45660	3.4
611.46649	58.5
629.38312	3.7
629.47736	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	628.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
56.76526	0.3
65.03940	1.3
67.01855	1.6
68.99763	0.4
69.03423	1.0
69.49216	1.6
69.49624	0.7
71.04990	0.6
79.05505	0.4
81.03426	7.4
83.04961	0.3
85.02900	0.8
87.00845	1.9
89.03953	0.4
91.05490	12.3
91.06074	0.6
97.02898	8.5
99.04436	1.2
107.04956	0.5
109.02888	11.4
112.27095	0.3
119.04954	26.9
120.05241	0.3
121.02840	0.5
125.02353	0.7
127.03925	12.9
135.04427	1.0
147.04419	100.0
148.04745	0.7
153.07007	0.5
157.37289	0.4
163.03937	1.4
164.04308	0.6
165.05518	4.4
165.06934	0.6
173.02467	0.4
183.08089	0.4
189.06790	0.3
191.03377	2.4
209.06039	0.5
211.07639	0.9
213.03935	4.8
213.05684	0.5
229.08638	0.8
231.06718	0.6
237.05464	0.5
255.06512	4.1
273.07578	1.0
317.05087	0.7
377.08701	3.9
481.09854	9.4
560.20184	0.6
578.21179	1.4
610.23749	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	629.2248
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
52.39825	0.7
55.10255	0.7
63.67059	0.7
65.25789	0.7
67.05614	1.0
69.84863	1.3
69.85254	3.8
72.04716	0.7
79.05596	1.5
81.07199	1.9
81.35361	0.6
91.05630	2.1
92.12576	0.6
93.07182	1.1
95.08740	1.0
98.21400	1.0
105.06521	0.7
105.07153	1.3
107.08745	1.0
109.10337	1.0
143.07333	0.7
157.10347	0.9
163.04083	1.1
181.63322	0.7
221.15750	0.7
277.43677	0.7
379.90680	0.7
396.12292	1.7
397.13205	2.1
398.13989	1.1
399.14545	1.3
400.15427	0.7
409.13309	0.9
410.13815	3.0
411.14444	7.1
412.15298	4.4
413.16153	5.6
424.10754	0.9
424.15588	2.6
425.16382	15.8
426.16852	10.6
427.17648	2.9
428.18600	2.9
437.15475	0.9
438.13397	3.5
438.18256	1.2
439.13611	21.7
440.14243	2.8
440.19644	5.7
441.19397	39.6
442.19534	2.4
452.14557	4.7
453.15457	26.0
454.15915	5.9
455.16904	1.1
456.18021	1.7
467.17245	27.7
468.17902	20.6
469.18945	10.1
470.19189	1.7
471.16617	2.5
472.17252	1.2
481.14722	12.0
482.14822	3.5
484.21915	3.5
485.18719	2.5
486.19186	0.9
495.17102	3.5
496.17065	18.0
497.17529	2.4
498.18958	1.3
499.20291	0.8
500.20651	4.8
508.19489	0.9
509.18503	0.9
512.20264	2.4
513.21936	5.9
514.22156	0.9
523.19812	1.2
528.19812	1.9
541.20929	46.4
542.21045	2.7
553.20856	1.3
568.19025	0.9
569.20251	100.0
570.20306	8.8
572.19849	1.3
573.23303	3.1
597.19550	28.7
598.20398	1.5
600.22156	1.6
601.23077	13.4
602.23438	1.1
615.20947	1.5
629.22064	77.6
630.22382	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	628.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01890	1.2
67.05498	1.8
69.26865	9.5
69.27271	2.3
79.05491	7.1
80.05015	2.2
85.06534	2.9
91.05499	5.6
93.07042	8.5
94.06606	2.9
95.04981	1.6
98.21457	2.1
103.05481	8.2
105.05775	2.1
107.08569	1.2
108.08109	9.0
109.06496	1.3
110.09669	3.2
117.07022	7.1
118.06550	4.5
119.07342	1.7
120.08111	39.0
121.10225	1.3
122.06020	4.4
122.15217	1.1
127.82887	1.2
131.08583	2.7
136.07585	14.3
138.05505	1.9
138.09131	4.9
145.10068	1.5
146.06001	3.1
148.07584	100.0
149.09599	1.7
163.07558	2.0
164.07091	2.1
166.08662	5.8
167.10637	1.3
177.09128	2.2
191.10703	2.1
195.10336	1.3
197.10857	1.1
206.08273	1.5
209.11635	1.6
211.08667	4.4
219.48659	1.2
223.08533	1.3
224.09424	1.8
225.10268	4.4
227.08191	2.2
227.12886	1.7
237.10251	22.3
238.10982	2.5
239.08064	7.0
239.11752	2.8
241.09874	3.9
247.08765	2.3
250.07224	1.4
250.10970	1.2
251.08087	6.0
252.08684	27.2
253.09706	14.7
255.11252	3.5
265.09738	31.5
266.10464	2.6
267.07648	3.1
267.11285	9.1
269.09216	1.7
277.09863	1.3
279.07813	1.7
280.08350	1.4
281.09213	21.5
283.10706	13.8
287.10135	2.2
293.09253	25.0
294.10004	2.2
295.10818	17.7
299.10306	3.3
301.11798	2.8
309.08765	3.2
311.10193	21.0
313.11740	2.7
321.08786	12.5
325.11862	1.7
327.09717	14.9
339.09784	49.3
341.11261	4.6
343.13046	2.2
344.13736	1.8
353.11426	7.0
358.15546	2.4
359.12424	20.9
371.12381	34.5
384.13168	2.1
385.14502	4.5
386.14828	1.8
400.16727	6.4
418.17355	2.0
428.15884	3.1
430.17645	1.7
446.17145	7.5
448.18451	1.8
456.15228	1.4
474.16687	16.0
492.17374	6.7
506.19278	14.0
524.20490	2.0
532.16492	2.1
534.18774	12.0
550.18018	5.8
560.16461	1.7
566.21234	7.9
578.17743	73.4
579.17853	3.4
592.18829	2.8
610.20258	10.0
611.20282	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	628.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98373	0.7
55.01869	1.0
66.89606	0.7
67.05495	1.4
69.03429	1.0
69.26815	5.2
69.27214	1.9
70.06596	0.9
79.05495	6.4
80.05009	1.8
81.03421	0.7
81.07057	1.0
89.91575	0.7
91.05488	5.2
93.05785	0.8
93.07056	6.3
94.06575	2.5
95.04984	1.1
96.08127	1.8
98.21532	1.5
103.05479	5.8
104.21937	0.7
105.05781	1.7
108.08138	6.2
108.50362	0.6
110.09676	2.0
118.06541	2.9
119.07276	1.4
119.08597	0.8
120.08109	35.9
122.06065	3.4
122.09676	0.9
124.03949	1.7
134.06020	1.0
136.07599	12.0
136.08644	0.9
138.05524	2.8
138.09174	3.3
146.06015	6.0
148.07584	100.0
149.07912	1.4
150.09171	1.2
152.07143	0.9
163.03929	2.8
164.07045	2.7
166.05101	1.2
166.08623	3.9
172.03981	1.0
173.13283	1.4
174.05519	1.1
175.14810	0.7
177.05548	1.0
191.14371	1.1
197.10704	0.9
199.08734	1.4
206.08217	1.6
208.09714	1.6
209.10785	1.2
210.09276	0.8
211.08708	3.2
211.12308	1.1
212.09473	0.8
213.10165	1.5
221.10809	0.9
222.07597	1.2
223.08681	3.1
224.09378	1.7
225.10278	4.6
227.08247	3.1
227.11784	1.1
236.09621	0.9
237.06596	1.2
237.10231	17.5
238.10927	1.5
239.08133	6.4
239.11836	3.0
241.09695	5.7
247.08649	1.9
248.09419	0.9
249.10263	1.2
250.07628	0.9
251.08199	5.1
252.08698	22.7
253.09740	8.5
254.10539	1.4
255.07825	0.9
255.11356	4.0
264.08878	1.0
265.09744	28.0
266.10547	3.8
267.07748	3.6
267.11304	8.2
269.09302	1.9
277.09814	1.2
279.07639	2.0
279.11127	1.2
280.08414	1.3
281.09244	16.8
282.09851	1.0
283.10788	9.1
287.10455	2.3
293.09256	19.5
294.09982	2.1
295.10760	15.0
299.10370	2.7
301.11899	2.2
307.10779	1.5
309.08701	3.0
309.12082	1.3
311.10281	21.6
313.08450	0.9
313.11746	4.8
321.08698	9.7
325.11740	1.3
327.09753	13.2
327.13571	0.9
331.13049	1.0
335.10004	1.2
339.09781	42.1
340.10196	0.8
341.11435	3.3
341.15140	0.9
342.12537	1.4
343.13037	1.8
344.14075	1.0
353.11362	5.0
356.14212	1.2
357.14832	1.9
358.15637	2.1
359.12338	16.4
371.12418	30.7
372.12988	1.6
384.13467	1.4
385.14270	1.4
386.15277	1.2
400.16791	3.8
418.17569	2.4
428.16162	2.3
430.17636	1.7
446.17068	5.3
448.18698	0.9
456.15109	1.2
474.16641	14.3
478.19672	2.6
488.17844	1.3
490.19681	0.9
492.17667	5.3
506.19299	11.3
524.20465	1.8
532.17065	1.3
534.18707	14.8
548.20532	0.9
550.18359	5.4
556.69391	0.7
560.16724	2.5
566.21344	7.5
578.17731	64.2
579.18231	3.5
592.19202	1.9
605.76300	0.8
610.20361	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	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.7
55.01881	10.6
55.05514	32.9
57.03438	8.3
57.07082	3.2
65.03937	4.2
67.05509	94.9
69.03431	4.3
69.07070	31.0
69.30205	13.5
69.30629	8.5
71.04990	6.0
75.41849	1.9
78.10036	2.6
79.05498	73.8
79.05955	4.2
81.03451	3.2
81.07061	100.0
83.04987	9.5
83.08630	19.9
85.06578	5.7
86.76565	2.1
89.03930	6.4
91.05065	1.4
91.05489	58.5
93.07052	68.1
95.04988	14.1
95.08614	60.7
97.06543	15.1
97.10154	10.6
105.04546	3.6
105.07035	58.0
107.04968	14.4
107.08602	44.9
109.06547	10.2
109.10165	28.2
111.08079	6.0
115.05486	2.8
117.03395	5.3
117.07004	18.5
119.08591	42.4
121.10155	29.2
123.08081	7.3
123.11705	10.8
123.96027	2.4
125.09654	9.1
128.06235	3.5
129.07008	6.6
131.08571	28.1
133.10130	32.0
135.04474	13.5
135.08101	5.4
135.11678	16.9
137.09589	3.9
141.06955	2.8
143.08583	10.1
145.02867	10.1
145.06534	2.5
145.10121	26.1
147.07997	2.5
147.11685	25.2
149.09648	13.1
149.13283	11.8
151.11246	2.9
155.08531	6.0
157.10118	12.0
159.11696	19.9
161.09590	3.0
161.13260	10.3
163.03917	71.8
163.11197	6.4
164.04312	2.8
167.08557	3.4
169.10139	7.0
171.11763	10.7
173.13284	9.8
175.11192	2.8
175.14864	4.4
177.16510	2.3
179.14160	2.7
181.10146	4.4
181.39476	2.0
183.11771	7.6
185.13301	7.6
187.14839	7.0
189.11240	4.9
189.12790	2.9
194.90909	2.2
197.13234	5.5
199.14763	4.5
201.16357	2.9
205.15854	3.1
211.14806	4.8
213.16441	4.6
227.12782	5.3
229.19534	2.5
239.18074	4.0
241.19453	3.0
243.21071	3.5
247.20680	4.1
257.19064	5.3
259.20581	3.6
261.22131	6.8
273.18478	2.8
275.20062	60.1
293.21115	2.6
295.20966	2.4
333.24225	2.4
335.25815	29.8
349.23663	21.0
367.29782	2.6
376.85495	2.5
515.37610	3.7
517.40643	3.0
527.37524	2.6
535.41394	6.5
553.42621	3.8
555.40570	3.0
609.45258	36.6
627.24829	10.8
627.46210	62.6
628.46124	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.5
55.01880	12.2
55.05513	42.6
57.03438	23.8
57.07066	6.0
59.04996	2.1
59.08690	1.8
65.03928	5.2
67.05507	100.0
69.03442	2.7
69.07072	33.3
69.60488	4.0
69.60915	10.2
71.04984	8.2
71.08633	2.8
77.03898	1.9
79.05495	79.3
81.03417	3.7
81.07060	99.3
83.04964	10.1
83.08622	16.4
85.06554	7.1
89.05988	2.0
91.05482	67.8
93.07048	90.8
95.04965	11.7
95.08610	71.6
97.06537	13.1
97.10185	9.2
99.08115	9.8
105.07033	55.4
107.04984	10.5
107.08598	49.8
109.05883	1.9
109.06512	10.7
109.10151	33.3
109.54520	1.8
111.08096	7.3
113.09675	4.3
115.05461	2.4
116.06251	2.3
117.07021	23.7
119.08582	55.1
121.06535	6.5
121.10168	34.8
123.08077	6.2
123.11720	11.5
125.09624	9.1
128.06277	4.2
129.07005	18.1
130.07785	3.5
131.08569	44.4
133.10143	41.6
135.08054	5.7
135.11693	18.9
137.09604	5.9
137.13281	2.2
141.07005	4.9
142.07799	3.2
143.08553	20.7
145.10132	38.6
147.08058	2.5
147.11693	24.4
149.09618	16.5
149.13290	10.7
151.11220	3.6
155.08560	8.1
156.09392	3.4
157.10149	23.1
159.11705	33.5
161.09686	5.2
161.13268	13.1
163.11188	4.4
163.14908	2.4
166.07892	1.9
167.08574	3.2
169.10123	14.9
171.11714	17.3
173.13297	18.1
175.11295	2.0
175.14958	4.4
179.14432	2.2
181.10136	4.4
183.11690	15.0
185.13284	17.3
187.14745	10.8
189.11218	2.8
189.12787	2.5
189.16420	2.6
193.10095	2.2
193.12314	2.6
195.11768	6.1
195.40131	1.7
197.13309	12.5
199.14767	9.0
201.12834	2.4
201.16440	5.4
203.14328	3.7
203.18030	2.4
205.15913	9.0
209.13321	8.2
211.14766	4.6
213.16422	6.7
215.17798	2.5
219.17422	15.5
221.15376	2.1
223.14865	4.2
225.16434	3.6
227.12787	3.1
227.18060	2.7
229.19662	4.1
233.18924	1.9
237.16516	2.2
239.18001	7.6
241.19687	3.7
247.20726	3.6
257.19052	9.6
259.00082	2.0
259.20645	5.7
261.22253	5.1
267.15924	2.6
273.18555	4.2
275.20068	50.2
277.21655	5.0
291.19543	3.1
293.21301	2.5
297.22189	2.7
329.24844	2.2
331.22693	2.8
333.24222	5.7
335.25882	28.0
337.27618	2.4
349.23718	19.8
369.28159	2.1
448.32556	2.3
449.34064	2.0
463.35956	2.7
515.37476	3.7
517.40442	6.7
529.38867	3.1
535.41315	10.3
537.39661	2.9
541.39484	2.6
553.42267	5.7
555.40668	21.6
591.44183	3.1
604.76794	2.3
609.45148	54.4
610.45123	2.5
627.46222	68.3
628.46979	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01861	6.4
55.05516	28.9
57.03444	20.6
57.07065	4.9
62.08903	2.1
65.03947	5.0
67.05508	79.1
69.03410	3.7
69.07069	29.5
71.04994	4.6
71.08629	7.5
78.29810	1.9
78.84421	1.9
79.05496	73.5
80.05804	2.4
81.03407	3.0
81.07064	100.0
83.04971	7.7
83.08627	16.7
85.06548	4.7
89.06035	2.7
91.05486	73.8
93.07048	83.0
95.04974	14.4
95.08611	66.4
97.06554	12.0
97.10155	5.5
98.20731	5.6
99.08087	13.6
103.05431	2.8
105.07037	68.3
107.04938	5.3
107.08607	54.7
109.06493	8.8
109.10170	30.0
111.08052	5.8
113.09606	3.9
115.05451	4.3
117.07010	24.5
119.07798	3.2
119.08591	56.2
119.65607	2.3
121.06506	2.2
121.10143	39.1
123.08056	5.3
123.11702	8.2
125.09637	6.9
128.06255	4.5
128.67165	2.3
129.07025	14.2
131.08580	36.5
133.10135	38.7
135.08025	5.2
135.11693	26.5
137.09633	5.2
137.13191	2.5
139.11188	2.7
141.06996	3.2
143.08574	21.0
145.10135	29.5
147.10600	3.8
147.11694	31.0
149.09633	5.1
149.13289	12.1
151.11150	3.8
155.08549	9.1
157.10188	17.9
159.11714	25.4
161.09639	3.2
161.13275	19.2
163.11156	4.2
163.14799	5.3
165.12778	2.8
166.93869	2.2
169.10085	10.7
171.11664	17.0
173.13264	20.0
175.14822	9.2
177.12672	3.7
179.14235	3.3
181.10098	3.5
183.11710	7.0
185.13177	14.1
187.11153	2.2
187.14935	12.6
189.11223	2.1
195.11691	2.9
197.13260	6.0
199.14792	7.6
201.16435	2.7
203.14250	2.5
205.15883	5.0
209.13203	6.0
211.14830	3.6
213.16411	4.1
215.17943	2.5
219.17404	5.8
223.14825	2.7
227.18059	2.9
239.17917	2.9
241.19568	12.9
243.21109	3.1
257.19000	4.7
259.20590	34.2
261.22055	5.4
267.15680	2.1
271.80035	2.1
273.18448	3.0
275.20105	21.3
277.21692	17.5
283.20508	2.3
293.21097	8.4
297.22021	3.6
298.68457	2.1
311.23972	2.5
315.23236	5.3
333.24268	32.5
335.26038	10.9
349.23795	10.0
351.25266	24.4
457.36563	2.4
511.37131	3.0
517.40222	7.9
529.38519	4.2
535.41742	5.5
537.38843	2.5
553.42065	4.3
555.40564	13.0
609.45197	46.1
627.36511	3.6
627.46112	47.4
628.46521	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	627.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97637	0.9
70.24166	0.8
79.05462	1.3
81.07048	1.7
91.05519	1.0
92.15268	0.8
93.05761	0.9
93.07040	1.0
105.07027	1.6
107.05026	0.8
107.07360	4.9
108.08131	3.2
117.03354	1.2
119.08582	1.1
120.08114	1.7
120.09200	1.0
122.09673	9.9
135.04422	1.4
135.06802	1.4
136.07585	1.4
139.19510	0.9
149.08333	1.6
150.09154	31.3
158.84758	0.9
163.03897	7.7
211.08589	1.0
220.10092	1.0
235.08789	4.2
236.09474	1.8
237.10245	9.0
238.10938	5.0
239.11916	1.4
247.08620	5.8
248.09541	4.9
249.10252	12.2
250.11050	16.7
251.11818	10.6
261.10229	6.1
262.10947	4.1
263.08426	1.9
263.11832	34.5
264.08862	2.7
264.12521	3.1
265.09738	6.0
265.13232	5.1
267.11429	1.6
276.09058	1.0
277.09775	4.0
278.10611	2.8
279.11301	30.5
281.12848	1.7
282.09940	2.3
283.10846	1.6
288.44257	0.9
289.09692	5.0
291.11301	14.0
292.12146	1.2
293.09647	1.5
293.12708	4.2
294.10019	1.3
295.10751	4.2
295.14209	1.6
297.12253	2.6
307.10800	11.8
309.12332	9.2
311.14001	2.5
319.10791	4.4
321.12445	2.1
323.10419	1.7
323.13785	4.5
325.11862	1.9
328.14703	1.2
335.10245	8.2
336.11032	2.5
337.11874	24.8
339.13556	1.8
342.16293	2.0
355.12921	7.6
356.13617	2.0
356.17563	1.8
357.14578	6.9
367.12918	22.6
368.13492	2.7
369.14548	7.1
370.15320	1.8
384.17020	1.2
387.19415	3.4
416.19763	1.3
429.16827	1.3
444.19238	2.8
458.16812	1.5
474.20236	9.5
476.22147	2.3
490.19809	1.8
504.21356	100.0
505.21860	11.7
506.22925	56.6
507.23514	2.7
544.29987	1.6
627.26550	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	627.2817
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05498	1.3
65.03978	0.8
67.05513	3.0
69.07050	1.1
70.03014	1.0
71.04991	0.7
71.33752	0.8
71.34071	1.1
75.76574	0.7
79.05501	1.8
81.07059	2.3
91.05499	2.0
93.07062	1.9
94.06594	0.9
95.08643	1.6
97.06535	0.8
99.82621	0.7
105.07038	2.0
107.08619	0.9
111.47959	0.6
118.06622	0.9
119.08620	1.7
120.04456	0.8
121.10112	0.8
124.37881	0.8
129.07047	0.9
130.06544	1.1
131.07338	1.1
131.08601	1.5
133.10210	1.4
135.04419	0.8
136.07599	1.5
146.06033	0.9
146.09679	1.5
157.10185	1.1
163.03928	6.3
174.09148	5.0
187.12311	5.4
188.10796	1.8
190.05104	1.1
197.10733	1.3
198.09239	0.9
200.09348	1.1
211.08647	1.8
213.10289	1.6
213.13783	0.9
215.11884	2.6
224.09479	1.5
225.10289	3.5
227.11801	3.3
235.08672	0.9
237.10294	2.0
239.11896	2.8
241.09799	0.8
241.13448	2.8
243.11333	24.0
248.09407	0.7
249.10332	1.7
251.11877	2.5
252.08943	1.4
253.09848	1.8
263.11819	1.2
267.11368	7.4
269.09100	1.0
269.12964	2.8
277.09854	2.2
285.12506	2.4
290.13022	0.7
291.11224	1.0
293.13205	0.9
295.10751	3.6
299.13861	1.2
300.11218	0.9
301.12479	0.9
301.15500	3.8
309.12234	3.2
311.14075	1.1
313.12070	1.2
314.13055	1.8
315.13940	1.3
316.10809	2.1
316.14435	0.8
317.11722	1.1
319.10843	1.8
325.15503	10.0
327.13553	6.5
328.10916	2.2
328.14679	2.5
329.11832	1.7
330.12408	3.5
330.16049	1.4
332.13892	0.9
332.17722	0.8
334.15488	0.9
340.10892	1.0
341.11719	1.1
342.12573	3.2
342.16226	1.3
343.13083	3.9
344.14075	3.1
345.14719	0.9
346.15689	3.1
348.13477	4.9
351.13785	1.2
354.12595	1.2
355.13138	1.2
356.13876	3.2
357.14764	1.9
358.15640	4.1
369.14996	1.1
370.15747	2.8
371.16571	0.9
372.17307	3.6
374.14853	1.3
374.19046	1.2
384.13263	1.6
384.17670	1.0
385.17877	0.9
386.14615	1.6
386.18872	2.5
394.17960	1.1
400.16748	2.0
403.16275	1.7
405.17181	1.2
407.15952	0.8
412.16452	0.9
416.16119	1.1
417.17041	1.1
420.12048	0.9
421.17410	0.8
430.17795	1.5
431.18417	2.1
432.19376	4.0
433.20633	1.0
434.19101	0.8
435.14276	1.9
435.19357	1.5
436.19888	1.0
437.19794	2.0
444.19733	1.0
447.21844	3.1
448.20496	1.0
449.20270	1.4
450.16656	1.3
450.21820	1.0
451.17624	2.1
459.18256	1.0
460.18784	2.2
461.23450	2.4
462.24030	2.9
463.21329	2.6
464.18649	1.3
465.19019	15.4
466.19617	1.0
477.19470	1.5
478.20218	1.2
479.21042	5.5
480.21542	3.8
481.22339	4.2
489.23032	1.8
490.23840	0.8
491.20868	1.2
492.21573	2.4
493.22897	4.6
494.23285	2.1
504.21503	1.9
505.19791	1.0
506.22717	2.0
507.24265	4.9
508.20865	1.7
513.35339	0.9
517.22638	2.6
520.20953	1.1
522.22656	1.2
535.23370	5.5
537.21564	1.2
540.23499	1.4
541.24115	2.7
549.24976	13.9
550.23938	0.9
553.24603	2.4
554.25049	1.2
563.22998	1.0
567.26068	74.7
568.26563	2.8
577.24750	1.5
595.25537	50.8
596.26294	1.5
599.29688	0.9
609.26990	1.1
627.28204	100.0
628.28870	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	627.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09361	0.2
50.59757	0.1
53.00287	0.2
53.03934	0.3
57.97166	0.2
63.02388	0.7
69.42813	1.0
69.43217	0.2
69.55634	0.2
70.06599	0.4
72.80528	0.1
74.24035	0.2
79.05494	1.8
81.03429	0.3
86.09716	0.5
89.03921	12.4
91.05489	0.2
95.04971	0.5
96.08144	0.2
107.04956	2.9
109.02888	0.2
110.14790	0.2
117.03385	12.9
123.04442	0.5
135.04422	23.4
135.59293	0.2
136.07565	0.3
137.02361	2.6
145.02853	13.9
146.03197	0.2
147.04413	3.3
148.07559	0.7
149.07913	0.4
158.06076	0.2
163.03911	100.0
164.04266	1.1
165.07040	0.7
169.06509	0.2
173.04350	0.2
175.03923	4.0
176.04707	2.1
183.08047	0.2
183.62463	0.2
186.05524	0.4
193.06425	0.3
197.06108	0.4
211.07541	1.1
221.05966	2.4
238.10620	0.2
239.07030	1.8
249.05508	1.8
250.06329	0.3
252.20160	0.2
257.08200	0.6
267.06540	2.6
269.86438	0.2
279.06564	0.2
285.07587	18.2
286.07874	0.5
298.12683	0.2
313.07001	1.4
392.50360	0.2
491.18954	0.3
627.27344	0.3
627.42395	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	627.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
67.05508	1.5
69.03428	2.2
71.05009	1.0
71.60278	1.2
75.06219	0.8
79.05486	2.0
81.03414	2.9
81.07053	2.3
85.02895	1.6
85.04668	0.8
88.97561	0.8
89.03922	6.6
91.05463	1.3
92.57097	0.7
93.07056	1.9
95.08598	1.8
97.02941	1.0
97.06544	1.5
105.06996	1.4
107.04976	0.9
107.79322	0.7
109.02898	1.8
109.06528	1.0
117.03396	19.6
120.08102	1.0
121.06493	2.1
122.06051	1.0
123.04409	1.9
125.06013	0.9
127.03920	1.1
134.03709	1.3
135.04398	4.7
137.02365	5.7
139.07526	0.9
143.07018	0.9
145.02858	46.2
147.04393	2.9
147.11679	1.3
148.07544	1.0
149.06009	6.5
163.03911	15.8
177.05487	100.0
178.05797	1.1
186.05553	1.5
189.60072	0.9
195.06522	1.5
217.12248	1.2
235.13354	2.3
253.14360	3.0
285.07626	2.4
313.07294	4.0
321.09683	3.2
339.10699	6.7
438.94928	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	627.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
61.29449	1.0
65.03955	1.3
71.58820	1.8
77.86002	1.4
79.05492	3.1
81.03433	1.5
81.07043	1.0
88.24100	1.0
89.03918	11.0
91.05485	4.2
93.07071	1.4
95.04992	2.2
105.03404	1.3
105.07063	1.9
107.04960	3.1
115.05454	9.6
117.03389	10.3
119.04918	2.2
119.08556	1.2
121.01995	1.1
123.04437	12.1
129.07076	1.2
131.04929	4.3
133.02844	4.5
135.04430	25.4
137.02353	5.0
143.04929	8.8
145.02864	15.8
147.04416	11.1
148.34247	1.4
151.03943	2.6
153.06981	1.2
159.04396	4.5
160.05231	11.8
161.02351	3.5
161.04633	1.7
161.05995	35.5
163.03920	100.0
165.07016	3.1
173.02359	1.9
175.03935	3.0
181.06531	1.2
187.03835	2.0
193.06485	1.6
194.07219	1.5
197.05994	1.7
199.78070	1.1
204.04189	1.7
205.04941	13.7
205.06599	2.7
211.07533	2.4
213.05408	2.2
221.05965	7.5
222.06685	3.4
223.07561	4.1
226.06355	1.5
233.05936	2.0
237.05411	4.3
237.09264	1.1
239.07028	6.5
243.06450	3.0
249.05498	7.7
250.06348	3.0
251.07027	8.9
255.06531	22.2
263.06934	2.0
265.04987	5.9
267.06558	15.3
268.07324	42.8
269.08167	9.8
277.35718	1.4
278.05914	1.4
279.06613	1.5
283.06046	3.5
285.07642	4.1
291.06229	1.4
295.06021	18.7
296.06677	2.8
297.07739	1.5
313.07117	15.2
314.07822	5.1
315.08636	2.0
319.05917	4.3
319.09290	1.3
321.07513	4.5
337.08423	1.2
347.05432	9.8
365.08054	1.9
383.09015	2.7
411.08606	2.5
425.35257	1.3
429.09750	14.4
447.10898	14.0
457.09183	3.5
475.10190	4.7
627.31140	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.1
54.94144	1.3
55.01880	27.0
55.05510	31.2
57.03440	7.7
57.07074	3.3
59.05002	1.5
63.76167	1.4
65.03960	4.0
67.05507	66.0
69.03432	4.5
69.07072	66.9
71.04982	4.2
79.05496	57.6
81.03444	8.2
81.07062	70.9
83.04990	6.7
83.08624	17.8
85.06535	3.4
87.04421	1.9
91.05487	55.6
93.07047	49.1
95.01323	3.4
95.04973	13.6
95.08614	51.7
97.06535	34.4
97.10191	7.0
99.08098	4.5
103.05466	2.1
105.07036	65.2
107.04954	13.3
107.08598	32.4
109.06534	4.8
109.10162	20.5
111.08077	4.1
113.09682	1.9
115.05455	4.4
117.07021	25.0
119.08585	46.9
121.06541	3.8
121.10164	17.8
123.08101	5.6
123.11745	4.2
125.09644	5.8
127.77354	1.4
128.06224	5.9
129.07025	20.6
130.07837	2.6
131.08572	41.1
133.06502	3.2
133.10136	36.6
133.11078	2.5
135.08061	2.7
135.11719	13.6
137.09645	3.9
137.13316	1.4
139.11212	3.2
141.07027	8.5
142.07803	3.9
143.08571	27.8
143.09686	1.8
144.09300	1.5
145.06502	2.9
145.10130	38.2
147.08067	3.8
147.11702	28.7
149.09645	10.8
149.13260	7.5
151.11206	3.5
153.06990	1.9
153.12657	1.5
154.07774	1.7
155.08571	15.7
156.09351	2.0
157.10143	26.2
159.08141	4.1
159.11699	27.8
161.09665	4.0
161.13277	19.9
163.11154	8.0
165.06995	2.3
165.12798	1.8
167.08548	6.9
168.09355	1.9
169.10121	21.0
170.10831	1.8
171.08090	2.9
171.10277	2.8
171.11687	26.5
173.09740	2.4
173.13260	18.3
175.11304	1.9
175.14865	6.4
177.12828	2.9
179.08562	3.3
179.14348	3.0
181.10170	7.2
182.10896	2.2
183.11691	17.7
185.09712	2.7
185.13264	16.7
187.11223	4.3
187.14812	7.1
189.12654	2.0
193.10138	2.4
193.12315	1.6
195.11716	9.5
196.12590	1.7
197.13283	11.5
199.11252	2.5
199.14859	9.0
201.16440	2.8
207.11835	4.5
207.13728	1.6
209.13289	8.3
209.15102	1.5
211.11356	1.8
211.14886	6.7
213.12848	3.4
213.16454	6.1
215.17972	2.6
221.13255	3.7
223.14905	6.4
225.12918	1.9
225.16338	3.4
227.18048	3.7
229.19588	2.5
231.17397	2.1
234.16490	1.5
235.14882	3.2
235.17017	1.6
237.16408	4.2
239.17897	2.2
241.19563	13.5
245.18997	3.3
251.18083	4.5
253.19792	2.5
255.17438	2.0
257.19092	8.5
259.20612	14.9
265.19498	3.4
271.20691	2.1
273.18582	4.3
275.20096	28.7
275.23044	1.5
277.21890	2.6
279.15854	2.0
279.21149	2.4
283.20456	1.6
289.21857	2.3
291.19632	1.6
297.22232	2.9
313.21716	2.8
315.23276	6.1
323.23926	2.2
325.21579	1.8
325.25241	2.1
331.22565	1.7
333.24390	13.7
341.24695	2.2
349.23703	21.4
351.26483	2.1
354.43332	1.5
356.19431	1.5
363.26614	2.3
367.26239	1.7
381.28018	1.9
403.29538	2.1
417.31433	1.8
419.33575	3.4
421.30859	3.5
435.32687	5.3
437.34125	13.9
445.30765	2.3
453.33728	3.3
463.31766	1.9
493.36609	2.7
499.34158	1.7
501.35519	2.6
509.36472	4.4
511.37915	10.4
513.35541	12.2
515.38928	6.4
527.37427	5.1
529.39075	6.2
533.39966	13.2
537.36279	1.9
551.41547	9.1
555.36871	4.3
556.37494	4.3
589.42590	3.1
597.45197	2.6
607.23639	1.8
607.43567	60.6
608.43713	3.5
625.44666	100.0
626.45197	3.6
653.53564	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55881	1.4
53.03943	5.2
55.01873	13.1
55.05262	2.7
55.05513	35.8
57.03444	10.2
57.07067	5.4
65.03938	4.2
67.05510	66.6
67.05870	3.2
69.03432	3.3
69.06715	2.7
69.07071	37.2
69.57210	8.2
71.04988	5.2
71.08630	1.7
77.03955	1.8
79.05495	50.2
81.03399	3.3
81.07059	67.2
83.04984	5.2
83.08617	19.9
85.06547	3.8
86.09709	4.2
91.05487	49.5
93.07045	43.1
95.04984	11.7
95.08613	46.2
95.09232	2.2
97.06548	12.7
97.10173	7.5
99.08083	3.3
103.05476	2.6
105.07035	50.1
107.04964	4.6
107.08599	36.2
107.09296	2.9
109.06542	6.9
109.10163	25.2
111.08084	4.7
115.05471	4.4
116.06166	1.9
117.07015	22.7
119.08586	40.0
121.06551	2.6
121.10144	20.2
123.04395	1.6
123.08092	3.8
123.11745	8.3
125.09644	6.4
128.06233	5.6
129.07021	23.4
130.07742	2.6
131.08568	36.4
133.06473	3.1
133.09158	1.0
133.10130	28.7
135.08064	5.6
135.11685	12.0
137.09630	3.5
139.11191	2.6
140.14307	1.8
141.07004	9.2
142.07742	4.0
143.08580	28.2
145.06458	3.4
145.10123	30.0
147.08028	3.3
147.11691	18.8
149.09651	7.9
149.13307	5.0
151.11171	2.2
153.07007	3.4
154.07831	2.7
155.08565	19.5
156.09300	1.7
157.10143	26.1
159.08043	3.2
159.11693	21.5
161.09612	3.4
161.13266	10.5
163.11226	4.2
165.07022	2.3
166.07837	2.4
167.08519	6.8
169.10123	20.7
170.10774	2.1
171.08083	2.0
171.11720	21.8
173.09578	1.9
173.11862	2.4
173.13234	16.0
175.11177	3.1
175.14841	4.7
177.12772	2.2
179.08620	4.3
179.14343	1.6
181.10123	9.1
182.10941	2.0
183.11707	18.7
185.09708	2.8
185.11757	3.0
185.13258	14.6
187.11188	3.2
187.13397	1.9
187.14888	5.7
189.11270	2.1
189.12747	2.1
189.16447	2.0
191.14435	1.9
193.10175	5.2
194.10841	2.1
195.11720	12.1
197.09557	1.5
197.13257	15.6
199.11183	2.5
199.13272	2.0
199.14813	8.2
201.12787	2.6
201.16458	1.9
203.14406	1.9
205.10170	1.9
207.11740	4.4
209.13300	9.8
211.14873	10.9
213.12703	2.1
213.16449	3.9
221.13274	4.3
221.15332	1.8
223.14920	7.0
225.16360	7.6
227.12694	3.3
227.18083	3.2
229.19624	2.4
233.13335	2.0
235.14841	3.1
237.16487	5.6
239.18021	5.0
241.19591	4.9
243.16005	3.0
245.18942	1.7
249.16579	3.0
251.18016	3.2
253.19591	2.9
255.17409	1.5
257.19089	5.2
259.20575	7.9
263.17804	2.0
263.20279	1.8
265.19681	3.3
271.20746	1.4
273.18533	7.1
275.20068	10.5
283.20639	2.3
285.22089	2.6
291.19519	4.0
295.65430	1.5
299.23941	2.1
311.23758	2.0
313.21722	2.0
315.23294	3.3
331.22964	2.0
333.24426	3.9
339.22974	1.9
341.24741	1.9
347.22543	1.7
349.23819	7.2
363.26443	2.2
365.28534	3.9
367.25943	1.6
379.29892	1.8
383.30011	2.0
391.29968	1.9
409.31055	1.9
410.42670	1.3
412.71411	1.5
421.31171	4.1
439.32355	3.4
495.34851	1.7
497.37250	2.8
499.34201	1.5
513.35791	18.0
515.38800	8.9
527.37537	2.9
533.40143	9.9
537.36133	1.9
541.34583	2.2
551.41223	10.9
553.39783	1.6
555.36285	2.0
589.43024	2.9
597.43250	1.9
607.43628	49.6
625.44659	100.0
626.45190	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01878	11.9
55.05256	2.4
55.05515	28.7
57.03434	6.6
57.07071	2.6
65.03952	3.4
67.05511	53.7
69.03422	3.1
69.07072	31.1
71.05008	4.5
71.11200	2.0
71.11531	2.3
73.08822	1.5
79.05499	41.0
81.03443	1.9
81.07065	57.1
83.04994	4.1
83.08614	15.0
83.09039	1.7
85.06558	3.8
91.05486	40.8
93.07056	42.4
95.04993	6.8
95.08615	40.5
97.06567	11.2
97.10173	12.6
99.08125	2.6
103.05457	1.6
103.33009	1.3
103.85588	1.5
105.07040	36.9
107.04976	4.5
107.08609	26.1
109.06531	5.9
109.10172	18.6
111.08123	4.0
115.05462	2.7
117.07019	19.7
119.08592	32.1
121.06538	1.8
121.10152	14.1
123.08122	3.0
123.11715	9.7
125.09670	9.1
128.06277	7.1
129.07007	18.4
130.07843	2.3
131.08574	30.6
133.06551	2.9
133.10152	23.7
135.08090	4.2
135.11688	11.4
135.81357	1.7
137.09702	1.9
141.07010	8.6
142.07834	4.7
143.08582	24.1
145.10141	24.6
147.08058	3.6
147.11697	18.1
149.09645	6.7
149.13333	4.9
151.11279	1.8
154.07637	1.5
155.08577	16.0
156.09392	2.4
157.06459	1.8
157.10144	19.8
159.11684	18.8
161.09705	2.2
161.13268	7.6
163.03944	2.1
163.11198	4.4
163.14856	1.9
165.07111	2.2
166.07848	1.8
167.08624	5.9
168.09395	2.4
169.10138	20.2
171.10318	2.2
171.11691	16.6
173.09703	1.6
173.11894	2.2
173.13260	12.6
175.11180	2.1
175.14867	5.2
177.12743	1.8
179.08601	4.1
180.09404	1.8
181.10129	10.0
182.10895	2.1
183.11708	21.3
185.09700	2.5
185.13281	11.8
187.13367	3.2
187.14935	6.4
189.11266	3.6
193.10207	4.5
194.11095	1.7
195.11691	9.0
197.13313	12.9
199.14934	7.6
201.16508	2.7
207.11719	4.6
209.13336	7.8
211.14783	12.0
213.16255	6.9
215.17960	2.6
215.72101	1.6
221.13266	4.3
222.14095	1.5
223.14958	7.4
225.16409	7.4
227.12852	5.6
227.18059	3.9
229.19547	1.7
231.17560	1.7
235.14801	3.5
237.16412	4.6
239.18022	4.7
241.19644	5.7
243.15918	2.3
249.16472	2.4
251.17996	1.9
253.19829	1.9
257.19101	2.6
259.20572	7.3
265.19699	3.2
271.06116	2.1
273.18790	3.7
275.20129	12.3
276.20493	1.4
285.22192	1.9
291.19595	2.4
297.18759	1.4
297.22137	2.4
313.21710	2.5
315.23358	2.3
333.24347	5.8
349.24039	6.1
356.19159	1.6
363.26550	1.9
365.28409	7.6
367.26288	1.7
381.31729	3.4
383.29654	3.6
403.29852	1.7
407.29425	1.9
409.31479	2.7
421.31076	5.0
437.34390	1.9
439.32114	2.9
495.34824	3.6
513.35980	16.0
515.38739	8.8
527.37408	2.7
533.39966	9.9
551.41083	8.3
553.38733	1.8
567.40887	1.5
589.42633	2.7
607.43506	46.0
608.44153	2.3
625.44684	100.0
626.45044	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
54.14175	1.7
55.01876	14.4
55.05518	35.5
57.03443	14.7
57.07071	5.6
57.62440	1.8
65.03951	3.4
67.05512	80.6
67.20839	2.0
69.03432	4.1
69.07081	36.1
70.39978	6.8
71.05004	9.6
71.08609	2.1
79.05504	58.5
81.03419	7.9
81.07065	67.2
83.04993	6.5
83.08623	17.9
85.06532	5.6
91.05494	55.1
91.06061	2.0
93.07054	56.3
95.04972	13.7
95.08613	61.4
97.06553	15.9
97.10178	13.3
99.08115	5.2
105.04551	2.6
105.07040	52.8
107.04981	6.0
107.08597	37.7
108.33627	2.2
109.06542	11.7
109.10172	25.8
111.08086	6.0
115.05477	5.2
117.07024	27.5
119.08589	36.0
121.06528	2.3
121.10152	18.8
123.08092	6.0
123.11730	7.1
125.09635	5.8
128.06235	7.3
129.07007	27.8
129.07895	2.2
130.07732	2.1
131.08578	42.7
132.66570	2.1
133.10152	28.6
135.08055	4.8
135.11729	14.6
137.09677	5.2
139.11224	3.6
141.06972	13.4
142.07809	7.6
143.08571	32.4
144.09344	4.1
145.10132	35.9
147.08128	3.3
147.11708	18.6
149.09607	5.9
149.13283	5.2
151.11253	3.2
153.07022	2.8
154.07854	3.3
155.08557	26.1
156.09360	5.2
157.10146	34.2
159.08051	3.8
159.11708	27.8
161.09689	2.5
161.12169	2.2
161.13249	9.7
163.11197	3.9
163.14897	3.1
165.07031	2.5
166.07837	3.6
167.08606	17.3
168.09354	4.2
169.10123	32.0
170.10843	3.2
171.11684	22.2
173.09682	3.8
173.11952	2.9
173.13297	12.2
175.11192	2.9
175.14905	3.9
179.08638	6.3
180.09323	2.4
181.10167	19.0
182.10933	3.4
183.11693	23.5
185.09663	3.0
185.13269	18.4
187.14848	9.8
193.10194	10.6
194.11006	3.2
195.11723	20.8
196.12451	2.2
197.13261	19.4
199.14859	11.1
201.12723	2.3
201.16489	3.6
203.14438	2.5
205.10132	2.4
207.11656	8.9
208.12523	2.3
209.13293	16.9
211.14839	16.8
213.16476	5.1
215.18140	1.8
217.15912	2.5
219.11722	2.2
221.13345	8.3
223.14870	12.5
223.16747	2.2
225.16519	8.8
227.12822	2.5
227.17998	3.0
233.13289	3.7
235.14888	6.9
237.16478	6.0
239.18007	6.4
241.19604	5.2
243.17574	2.2
245.19098	2.6
247.14961	4.2
249.16446	4.1
251.18059	6.1
257.19083	5.7
259.20654	5.3
265.19666	2.1
273.18527	8.3
275.20236	14.4
283.20535	2.3
295.20761	2.7
297.22113	2.4
309.22168	2.8
321.22272	3.3
323.23663	2.9
325.21777	2.3
333.24255	3.6
349.24896	4.3
351.26974	2.5
353.24927	3.2
367.26108	2.6
377.28622	3.3
421.30960	2.7
445.30801	2.9
447.32419	5.1
461.34128	5.9
513.35919	6.4
515.39166	11.5
521.36377	2.9
527.37598	2.6
533.39935	11.8
535.37671	2.8
539.37427	8.9
541.39008	2.3
551.40729	7.3
553.38953	15.6
567.40540	8.0
589.42126	3.9
607.43713	64.5
625.44690	100.0
626.44922	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01616	2.9
55.01872	38.1
55.05264	2.0
55.05513	31.4
57.03443	13.4
57.07064	3.9
65.03922	2.3
67.05506	74.6
69.03416	2.5
69.07071	78.0
71.04996	5.1
71.08622	2.9
79.05495	60.9
81.03424	10.6
81.07059	72.6
83.04993	12.1
83.08624	14.4
85.06560	3.5
91.05482	73.3
93.07047	58.3
93.07630	3.3
95.01337	5.6
95.04963	12.2
95.08609	52.3
95.09225	2.5
96.08967	1.6
97.05910	2.8
97.06534	49.2
97.10163	6.2
98.21584	3.2
99.08117	3.6
100.44118	1.7
103.05489	3.7
104.06296	1.9
105.07034	77.9
106.93642	1.6
107.04967	18.3
107.08596	30.3
109.06529	5.6
109.10166	16.8
111.08067	4.6
115.05432	4.4
116.06277	1.8
117.07017	28.7
119.08583	52.3
121.06526	3.8
121.10152	21.1
123.04450	2.8
123.08076	5.9
123.11726	3.6
125.09641	7.3
128.06245	7.1
129.05495	2.3
129.07008	19.8
130.07779	1.9
131.08572	51.2
131.09508	3.0
133.06551	3.8
133.10133	42.7
135.08064	3.7
135.11693	16.9
137.09628	4.4
137.13194	2.1
139.11197	1.8
141.06950	8.2
142.07817	5.2
143.08572	27.4
144.09383	2.2
145.06467	4.0
145.10129	42.1
147.08061	2.8
147.11691	26.8
149.09637	9.2
149.13258	9.0
154.07864	2.9
155.08577	18.0
156.09335	1.9
157.10133	31.3
159.08107	2.2
159.11703	33.6
161.09680	3.1
161.13255	23.4
163.11211	7.7
163.14896	3.7
165.07047	3.0
165.09149	1.9
165.12883	1.9
167.08604	6.7
168.09366	2.8
169.10123	25.0
171.08003	2.6
171.10233	5.4
171.11673	32.0
173.13263	21.0
174.08649	1.6
175.11186	2.8
175.14821	10.7
177.12778	5.5
179.08592	2.7
179.14317	5.1
180.09381	2.4
181.10136	10.2
182.10863	2.0
183.11700	18.2
185.09706	2.4
185.13277	19.3
187.11269	5.4
187.14832	10.2
189.12802	2.6
189.16406	1.9
191.14326	2.7
193.10158	4.6
195.11673	10.8
197.13272	17.8
199.11295	2.7
199.14806	10.8
201.12819	2.0
201.16460	5.1
203.14313	1.9
207.11748	3.1
209.13226	9.2
211.14857	6.7
213.16440	6.1
215.17976	2.5
219.11775	3.0
219.17540	2.1
221.13347	4.6
223.14809	5.6
225.16454	5.1
229.19482	1.9
231.17404	2.3
231.21094	2.3
233.13301	2.7
235.14902	4.8
237.16428	4.4
239.17996	4.7
241.19511	19.4
243.17493	2.0
243.20992	1.9
249.16504	2.0
251.17982	3.5
255.17477	1.7
257.19055	10.7
259.20587	24.4
263.17874	2.3
265.19629	3.5
267.17743	2.0
267.21185	1.7
273.18579	4.6
275.20084	47.4
277.21704	4.1
279.15979	3.1
279.21191	1.8
283.20660	2.2
291.19687	3.3
293.21213	4.6
297.22104	3.5
309.22177	1.9
311.20258	2.1
311.23761	3.4
313.21786	3.7
315.23267	6.5
323.23700	2.6
325.25363	2.1
333.24301	21.4
341.24594	3.6
349.23776	29.3
353.24942	2.1
355.26553	2.4
363.27039	1.8
409.30930	2.3
417.31616	2.7
419.33362	5.4
421.30896	3.8
435.32574	9.1
437.34183	16.3
445.30661	2.0
455.35394	3.3
463.32501	1.9
473.34570	1.8
475.35950	3.1
483.34680	2.5
501.35660	4.2
509.36029	4.3
511.37836	15.8
513.35938	10.5
515.38965	5.8
527.37280	7.4
529.38971	7.8
531.38220	1.8
533.39850	11.2
537.35730	3.1
551.41101	9.4
555.37012	3.2
556.37512	4.1
597.45117	3.6
607.43542	66.1
607.53333	3.5
608.43878	3.0
625.44666	100.0
626.44989	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	625.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40653	0.6
53.03942	2.2
55.01867	1.7
67.05521	1.1
69.03434	1.0
69.07072	0.6
71.04977	0.6
71.38863	1.0
74.27914	0.7
76.07213	0.5
79.05471	1.0
81.03414	1.3
81.07063	1.7
89.03889	1.3
91.05478	8.5
93.07056	7.7
94.64784	0.7
95.04976	3.2
103.05474	6.2
105.07027	1.4
107.04968	1.4
107.08595	1.0
109.10143	1.1
115.05463	2.6
117.03368	0.7
119.04968	4.2
119.08649	1.0
120.08141	0.8
121.06512	39.6
121.10160	0.6
123.04464	5.8
127.03905	1.3
133.02901	1.0
133.06519	1.2
133.10124	1.5
134.03629	1.0
135.04480	3.7
136.07584	1.5
137.02344	1.8
137.05983	10.3
138.09155	6.3
143.04924	2.0
145.02881	0.7
145.06523	1.2
146.06084	0.9
147.04408	4.9
148.07579	1.8
149.06013	2.4
149.07928	0.7
150.06789	1.7
151.03935	1.4
152.07040	0.7
156.60472	0.5
158.03584	0.9
160.05199	1.1
161.05997	1.0
163.03934	5.2
164.07069	4.1
165.07056	1.2
165.09138	1.3
173.02376	0.8
173.05972	3.2
175.03880	2.6
175.07578	1.7
176.06219	1.2
177.05496	1.1
177.06999	2.2
178.07701	1.1
179.08539	0.7
186.03143	7.0
187.04010	0.8
189.06973	0.8
191.03384	2.2
191.08476	0.9
194.07314	2.1
195.08073	0.8
201.05482	16.7
203.07024	1.4
204.05782	0.8
205.06509	11.2
205.08362	0.9
209.06136	0.8
209.09584	0.8
219.08041	1.8
220.05165	0.6
221.05959	3.7
221.09566	0.8
222.06720	7.0
223.07565	1.0
224.04497	0.7
226.06181	0.8
227.07082	1.5
232.05289	0.8
233.05984	14.5
234.06677	3.8
235.07539	2.1
236.04701	1.1
236.08261	1.4
237.05470	1.2
237.09026	8.4
239.07091	1.4
247.07599	3.2
248.04590	0.9
248.08391	0.7
249.05447	6.8
250.06273	11.6
251.06978	3.7
252.08215	0.9
253.09035	0.7
254.09276	0.8
255.06622	0.9
261.05511	2.3
262.06244	0.9
263.07135	2.3
264.07791	6.4
265.05042	4.4
265.08636	19.3
266.09427	2.0
267.06509	3.9
268.07440	0.8
271.05997	1.1
272.12991	1.2
275.07104	1.2
276.04404	0.8
277.04962	4.2
278.05777	6.9
279.06613	1.7
279.10333	2.0
280.07434	1.8
281.08148	0.8
282.08905	1.4
285.07602	1.1
291.06586	1.9
292.07321	21.0
293.04471	6.1
293.08096	21.7
294.08942	1.2
295.06058	5.1
295.09448	1.3
296.47928	0.6
297.11200	2.8
299.12845	1.9
304.03772	1.1
307.09650	38.3
308.06787	19.9
308.10248	1.4
309.07443	0.7
310.08270	3.8
313.06924	1.7
319.06012	2.4
321.03979	0.8
323.09183	12.5
325.10721	100.0
326.10925	2.0
336.06308	5.1
339.09912	0.7
351.08652	57.6
352.08954	0.9
462.19128	32.6
488.17197	3.6
489.18610	1.1
567.80829	0.7
593.19739	1.0
625.13281	2.5
625.25183	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	624.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84792	1.2
55.05507	2.3
55.87704	1.1
60.04520	2.9
61.17037	1.4
65.03925	2.6
67.05510	4.0
69.03439	1.7
70.06593	2.5
71.20240	2.4
71.20589	1.9
79.05497	8.5
80.04975	1.6
81.07053	2.7
82.06569	1.9
86.16563	1.5
89.03915	1.9
91.05490	5.2
93.07030	9.7
94.06576	8.2
95.04955	2.8
96.08125	2.2
97.06545	1.8
103.05470	6.6
105.07039	2.7
106.05008	2.4
106.06567	2.5
107.07367	1.7
108.08124	14.4
116.04997	7.4
116.05712	1.5
117.03249	1.4
118.06539	4.5
119.07363	1.9
120.04474	6.8
120.05235	1.3
120.08112	36.3
120.08939	2.9
122.06026	24.8
122.09649	1.7
124.07615	2.1
127.03930	2.5
131.04918	2.3
132.08109	1.5
134.06024	2.2
135.04413	1.4
136.07593	39.0
137.05959	2.3
138.05513	13.6
138.09134	4.0
140.10739	1.5
144.04459	16.9
145.02866	1.7
146.06044	10.8
147.04428	3.9
148.07582	92.2
150.09125	2.7
152.07024	1.5
160.04016	1.6
162.05525	8.6
163.03911	3.5
164.07066	3.7
166.05008	6.1
166.08676	10.5
172.03947	69.9
174.05530	3.8
177.05441	2.2
184.09935	1.8
188.07265	1.7
190.04984	14.5
194.09734	2.3
197.10721	1.9
198.11235	1.3
204.06570	100.0
205.06891	1.5
206.08171	2.1
208.09750	2.4
209.10757	2.7
211.08647	1.5
211.12373	2.4
212.09436	7.1
213.10271	3.9
213.14523	1.2
222.07780	2.3
223.08688	1.8
224.09541	6.4
225.10231	8.3
226.11014	1.7
227.11867	6.8
234.07555	1.5
235.08423	1.6
236.09508	3.1
237.10210	19.0
238.10928	2.9
239.08139	2.7
239.11877	3.6
241.09685	3.4
249.10252	2.6
250.07393	1.6
251.08151	4.0
251.11728	8.8
252.08710	27.3
252.11575	1.6
252.12578	2.6
253.09749	7.8
253.13409	2.8
255.11302	12.2
257.12894	2.1
264.09033	2.9
265.09756	26.5
266.10516	3.1
267.11273	3.7
268.08643	2.3
271.05988	8.4
271.10910	3.8
272.06400	11.1
278.06592	2.4
279.08154	2.5
279.11215	12.8
280.08600	2.7
280.11932	1.5
281.09235	3.9
281.12854	4.6
283.10788	7.4
283.14648	1.3
293.09213	21.0
293.12390	2.4
294.09747	2.4
295.10883	3.0
297.12369	6.9
299.13782	2.9
300.11920	1.4
302.12912	2.1
302.94113	1.6
307.10684	7.9
309.12177	2.6
311.05804	1.9
311.10211	4.5
311.13657	2.1
312.11096	2.7
313.11896	7.4
315.13452	1.5
316.14410	2.0
318.64548	1.4
325.11838	17.5
335.10245	8.0
339.13437	26.0
341.11310	13.2
353.11353	15.1
357.14630	2.1
358.33078	1.6
359.12314	3.1
367.13037	2.3
373.14069	1.9
385.13986	4.4
411.11679	5.4
416.19739	2.0
432.19455	3.4
442.17535	2.3
443.14682	14.6
460.18677	23.3
470.16797	3.1
488.18207	53.3
489.18170	2.0
492.21497	1.7
506.19122	9.7
520.20978	2.5
522.18951	1.4
543.82947	1.4
548.20239	1.7
551.19354	3.5
564.19861	7.8
574.18085	8.2
592.10590	2.2
592.19318	32.3
596.21881	2.3
606.20563	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	624.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09873	1.8
53.03934	3.2
61.97348	1.4
67.05510	2.6
69.03439	1.6
71.58766	1.5
71.59144	1.9
77.03925	1.9
79.05487	5.6
80.05006	2.4
81.03404	2.4
91.05486	5.8
93.07029	4.8
94.06574	7.3
95.04980	2.2
97.02887	3.6
98.44296	1.7
103.05459	6.3
107.15612	1.7
108.08125	6.9
118.06559	2.4
119.04948	8.2
119.07314	1.7
120.08119	36.2
122.06036	32.2
136.07588	13.5
138.05501	3.0
147.04419	38.3
147.05510	3.1
148.07579	82.5
158.22487	1.7
163.03937	3.2
166.08669	7.0
172.04024	2.6
180.10219	1.9
190.05022	1.8
204.06570	2.3
208.09769	3.2
209.10902	2.0
213.73135	1.6
223.08707	6.4
224.09438	3.9
225.10243	4.9
235.08771	4.6
235.60544	1.8
236.09456	7.6
237.06604	3.7
237.10237	20.1
238.11124	3.0
239.08243	2.0
239.11731	3.0
240.09030	3.4
241.09940	2.7
241.13219	2.0
247.08638	2.4
248.09282	2.5
249.10204	8.5
250.07474	3.0
251.08127	20.1
251.11810	4.8
252.08795	10.5
252.12611	1.7
253.09756	11.0
254.10399	1.8
255.11232	2.5
263.08301	3.8
264.08984	17.3
265.06580	3.5
265.09726	50.2
266.10492	13.9
267.07974	2.1
267.11285	7.3
268.08716	2.1
269.09225	4.0
271.10669	1.9
272.03189	1.8
272.06335	3.8
276.09091	2.0
277.09766	3.6
278.10565	2.7
279.07693	50.5
279.11270	10.8
280.08423	17.2
281.09271	12.4
281.12936	4.7
282.10062	4.9
283.10989	3.2
291.07898	2.2
291.11197	2.2
292.08517	12.0
293.09216	55.0
294.10040	18.6
295.10687	6.5
296.11554	2.0
297.09341	1.9
297.12405	7.1
298.09494	2.2
299.10297	2.8
301.11768	2.6
305.05673	3.7
307.10770	15.8
308.11575	2.1
309.12369	19.6
310.09488	6.3
311.10333	7.3
313.07428	1.7
313.11758	6.1
319.07159	1.9
320.07953	11.4
323.10233	4.4
325.11801	13.5
335.10242	17.0
338.08987	39.8
339.13623	2.8
341.11292	10.5
344.13730	2.3
352.10327	2.4
353.11325	100.0
354.11771	2.3
356.13922	2.4
367.12830	6.5
372.13208	3.1
373.13986	14.5
385.13916	27.4
386.15009	2.5
395.09546	7.9
420.98767	1.9
432.19373	2.4
444.19769	2.3
458.13779	1.9
460.18878	4.4
488.18207	18.3
504.21362	2.9
506.19189	5.5
520.20825	15.0
538.21893	12.4
548.20276	52.6
552.22858	1.9
562.21533	2.8
565.19897	2.1
574.18591	4.0
580.22888	84.2
581.23389	3.3
592.19214	35.7
606.21027	3.2
624.21820	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	624.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.27904	0.6
61.20670	0.7
65.03922	0.9
67.05494	1.9
69.46306	4.9
70.06582	1.0
79.05506	6.9
80.05010	1.9
81.03404	1.0
81.07040	2.0
89.03930	1.6
91.05495	6.0
91.40060	0.7
93.05800	0.8
93.07066	9.2
94.06570	7.7
95.04962	2.4
95.08617	1.2
96.08134	0.9
103.05472	7.9
105.05759	2.2
105.07037	1.9
106.06547	1.8
107.07370	1.3
107.08562	1.1
108.08138	8.5
108.96812	0.6
109.10194	0.9
110.09692	1.8
116.04975	3.3
118.06548	4.7
119.07330	2.1
119.08583	0.8
120.04452	2.7
120.08118	43.1
121.06536	1.6
122.06045	24.3
122.09688	1.5
124.07629	4.3
124.84785	0.8
127.03965	0.8
132.08078	0.9
134.06042	1.1
135.04474	1.3
136.07593	20.4
138.05510	2.4
138.09126	3.5
144.04448	4.9
145.10118	0.9
146.06001	2.4
147.04407	1.6
148.07587	100.0
149.07904	0.9
150.09166	2.3
152.07071	1.1
160.03940	1.4
160.07680	1.0
162.05551	3.4
163.03914	2.6
164.07077	2.7
164.10728	1.1
165.09116	0.7
166.04993	1.1
166.08665	8.3
172.03940	19.8
174.05653	0.9
180.06567	1.0
180.10199	3.4
186.05515	1.4
190.05003	12.2
195.09201	1.2
196.10042	1.3
197.10692	0.9
198.07857	1.4
201.05354	1.4
204.06589	22.5
206.08238	0.8
207.09155	1.5
208.09746	7.0
209.07135	1.2
209.10779	2.9
210.09439	1.0
210.11467	1.5
211.08693	2.3
211.12300	0.9
212.09348	1.6
213.10207	1.6
216.06734	0.8
221.10751	2.1
222.11337	1.2
223.08707	7.1
223.12302	2.1
224.09314	4.7
225.10301	5.2
226.07335	0.8
226.10956	1.0
227.08221	1.5
227.11819	2.1
234.07703	1.4
235.08690	5.9
236.09454	8.8
237.06570	3.1
237.10242	19.1
238.07228	1.3
238.11049	3.0
239.08159	4.4
239.11713	4.7
240.08977	2.2
241.09686	4.3
243.11307	0.9
247.08914	1.6
248.09363	2.0
249.07661	1.0
249.10216	6.5
250.07492	2.5
250.11031	2.1
251.08177	18.5
251.11865	7.3
252.08740	18.1
253.07344	1.3
253.09760	13.3
253.13513	1.2
254.10538	2.6
255.11392	4.2
263.08255	2.5
263.11749	1.3
264.08966	12.2
265.06375	2.0
265.09756	38.7
266.07214	1.8
266.10529	10.2
267.07687	2.5
267.11334	7.7
268.08334	1.5
268.12073	0.7
269.09247	2.9
269.12753	1.5
271.06012	4.3
271.10828	1.9
272.06409	7.0
275.08087	1.6
276.09003	1.4
277.09756	4.8
278.06784	3.0
278.10632	2.1
279.07721	31.8
279.11322	17.0
280.08472	9.3
280.11926	1.7
281.09259	10.9
281.12866	5.3
282.10101	5.4
283.07339	1.7
283.10876	6.5
284.11658	1.0
285.12457	1.6
287.10568	1.1
291.07703	2.4
292.08444	10.3
293.09232	39.0
294.09973	15.8
295.10712	6.2
296.11591	2.1
297.08771	4.8
297.12393	17.6
298.09564	1.3
299.10330	4.7
299.13416	0.8
300.10886	1.1
301.11960	4.0
303.07709	2.6
303.11053	0.8
305.05737	1.6
305.09125	0.9
307.10785	18.1
308.11349	0.8
309.08847	1.4
309.12326	18.4
310.09506	5.1
310.12747	1.0
311.10303	8.4
311.13629	1.1
312.11078	2.1
313.11877	8.2
314.12811	2.0
315.13705	1.7
316.14789	1.0
320.07901	6.5
321.08752	3.1
323.10266	6.0
324.10941	2.0
325.08105	0.6
325.11865	15.6
326.12613	1.4
327.10007	0.8
327.13629	2.2
328.11038	0.9
328.14621	1.9
329.11520	1.4
329.15002	2.5
330.16022	1.1
334.09518	0.9
335.10254	13.2
338.09003	24.6
339.09683	3.2
339.13474	6.9
340.10507	1.3
340.14462	0.8
341.11325	19.5
342.12329	1.8
343.13184	2.6
344.13928	2.9
352.10284	0.7
353.11356	78.4
354.11652	1.6
355.12936	2.8
356.14001	2.7
358.11752	1.4
358.15646	3.2
359.12506	2.2
360.13181	0.8
367.12915	6.1
370.11703	2.7
371.12457	3.1
372.13391	2.0
372.17374	2.0
373.13989	14.5
374.14722	1.0
384.13507	2.1
385.13989	25.3
386.14984	4.1
390.18384	1.3
398.15125	0.9
400.12207	0.9
400.16653	2.5
402.14514	3.4
404.16003	1.7
411.11874	29.9
412.12524	1.5
416.20084	1.1
417.16696	1.7
418.17868	1.1
427.15399	0.9
428.16040	1.6
429.13052	5.7
430.14053	2.5
432.14951	1.6
432.20050	1.5
442.17813	1.0
443.14691	2.2
444.19635	1.7
445.16321	1.8
446.17102	2.1
449.17365	1.9
458.13651	1.3
460.18805	7.3
464.18259	0.9
470.17633	1.3
476.17444	0.9
477.19064	2.6
478.19699	1.9
488.18164	23.4
489.18707	1.6
492.21594	1.5
494.19275	1.1
502.19846	0.8
504.21420	3.5
506.19275	6.8
507.20242	2.5
508.20813	1.2
516.17700	2.0
520.21033	12.0
521.21350	1.2
524.19952	0.9
530.19379	2.7
538.21960	7.9
542.15948	0.9
548.20337	38.3
551.18561	2.3
552.23608	1.8
560.16827	1.4
562.21564	1.8
564.19836	2.8
565.20746	1.6
574.18127	4.4
580.22937	67.9
581.23151	1.9
592.19299	37.6
593.20081	1.3
606.20935	2.6
624.21936	58.9
625.22308	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43167	0.4
52.29680	0.4
53.61602	0.3
55.01873	1.0
55.05515	2.4
57.03437	0.7
58.64957	0.3
61.02241	0.4
67.05509	5.1
69.07066	1.7
70.44411	1.2
77.59136	0.3
78.02802	0.3
79.05498	4.2
81.03436	0.8
81.07059	4.6
83.04990	0.8
83.08636	1.2
88.45270	0.3
88.77084	0.4
91.05492	3.6
93.07063	3.3
93.85935	0.3
95.04966	0.8
95.08616	2.5
97.06570	0.9
97.10197	1.2
98.21515	0.3
103.05492	0.5
105.07030	3.0
105.93718	0.3
107.04972	1.0
107.08591	2.7
109.06561	0.7
109.10176	1.3
111.08133	0.4
115.05466	0.4
117.07037	1.3
119.08580	2.6
121.10185	1.1
123.08052	0.5
123.11823	0.4
125.09636	1.4
129.07036	1.4
131.08586	2.1
133.10165	1.5
134.06367	0.4
135.08081	0.7
135.11690	0.5
141.06975	0.5
143.08607	1.4
145.10172	1.7
147.11700	0.9
149.09619	0.5
149.13239	0.5
149.93124	0.4
153.09219	0.4
155.08562	1.1
157.10164	1.1
159.11772	1.1
161.13313	0.4
165.07021	0.5
167.08609	0.8
169.10190	1.3
171.11769	1.0
173.13324	0.7
181.10146	0.5
183.11723	1.1
185.13324	0.7
189.11200	0.8
193.10168	0.4
195.11761	1.1
195.13622	0.4
197.13234	0.5
211.14926	0.4
213.16495	0.5
215.31648	0.4
223.14879	0.4
227.12810	0.7
234.11559	0.5
239.17976	0.6
244.15411	0.4
246.11522	0.3
252.52878	0.4
257.19144	0.5
271.06024	7.4
275.20215	1.8
291.19714	0.8
363.26846	0.4
379.30060	0.8
388.17206	0.5
389.17603	1.1
390.18472	0.5
391.19321	0.6
400.16794	0.4
401.17526	1.1
402.18576	1.2
403.19391	2.5
404.20013	1.1
405.21121	1.8
415.19403	1.1
416.19980	1.2
417.17151	1.9
417.21069	2.1
418.22107	0.6
419.22473	4.6
428.16608	0.5
429.16824	1.0
429.21689	0.6
430.17520	0.7
431.18646	2.5
431.22794	2.0
432.18784	1.7
433.20255	2.5
435.21817	0.7
443.18442	3.2
444.19589	1.5
445.20233	8.7
445.25616	0.6
446.21133	4.6
447.22339	4.9
449.23462	1.3
457.20520	1.6
458.21042	0.8
459.22009	3.4
460.22913	0.8
461.19934	1.3
462.20529	1.6
463.21472	2.3
473.23474	0.8
475.21481	1.3
476.22122	5.4
477.23068	6.4
478.23508	0.6
489.23242	2.5
490.23593	0.8
491.20294	0.7
493.22235	0.5
501.23083	0.5
503.24130	1.1
505.22101	0.4
505.26660	0.8
517.22827	0.5
520.24377	0.5
521.21960	1.4
525.35785	1.5
531.24060	0.5
533.25549	15.3
535.26392	0.7
545.25500	1.1
548.24561	0.4
563.26581	16.5
564.26581	0.6
565.27417	0.4
590.25104	0.4
593.27545	3.8
605.27246	1.0
605.42181	1.1
623.28693	100.0
623.42896	5.8
624.29053	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	0.9
69.07087	0.4
70.52783	1.0
77.24445	0.4
79.05479	0.6
81.07062	0.5
84.89546	0.3
87.40745	0.3
91.05488	0.7
93.07051	0.7
95.08604	0.4
98.20831	0.4
98.21346	0.5
104.94660	0.4
105.06990	0.4
107.08584	0.7
111.03680	0.3
117.52293	0.4
121.10129	0.4
145.10037	0.4
179.76468	0.4
209.10820	0.4
250.09047	0.4
254.35362	0.3
271.06110	2.3
289.18069	0.5
389.17728	1.1
390.18454	0.8
391.19403	1.8
393.20239	0.4
401.17703	0.8
402.18481	0.9
403.19650	1.7
404.20053	1.2
405.20828	2.0
406.21536	0.7
407.22449	0.9
415.19296	1.5
416.20544	0.9
417.16782	1.2
417.21695	2.2
418.17578	0.7
419.22943	3.0
420.23193	0.6
428.16107	0.5
429.16620	0.7
429.21527	0.5
430.17874	1.3
430.22632	0.6
431.18002	3.5
432.18872	1.0
432.23938	0.7
433.20227	6.3
434.21078	1.0
435.21902	0.5
443.18008	1.9
444.18927	2.0
445.19897	4.9
446.21170	2.8
447.22147	4.4
448.22574	1.7
457.20313	0.4
458.21033	6.3
459.21802	6.4
460.22760	4.5
461.19345	1.0
462.20444	0.6
463.21283	2.3
465.22766	0.5
472.22931	0.7
473.23486	1.4
475.21707	1.4
476.22229	1.0
477.22974	2.7
485.24078	0.5
486.24597	0.5
489.23703	0.6
490.23343	0.4
491.24261	0.4
503.24921	0.7
504.25223	0.6
505.21863	0.4
505.26767	0.7
517.22614	1.3
518.22888	4.0
521.22083	1.1
530.23108	0.5
531.24030	1.2
533.25568	8.1
534.26038	0.7
535.27960	1.9
545.25629	3.3
546.26160	0.9
563.26617	5.1
564.27130	0.4
565.28003	0.4
573.25128	1.0
577.27795	0.8
591.26093	1.1
605.27618	11.9
623.28680	100.0
624.28772	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25726	0.5
67.04537	0.4
67.05514	1.1
69.07050	0.8
71.39301	0.9
79.05499	1.4
81.07059	1.8
88.90883	0.4
91.05490	1.4
93.07053	0.9
95.08607	0.9
105.07022	0.8
107.04948	0.6
107.08592	0.6
109.10194	0.6
117.07004	0.5
119.08585	0.5
119.32957	0.5
133.10153	0.7
271.06027	2.9
289.18176	0.9
389.18332	1.6
390.18686	1.3
391.19202	1.2
392.19946	1.1
400.17123	1.2
401.17569	0.9
402.19229	0.7
403.19397	0.9
404.20569	1.2
405.20987	3.7
406.21451	0.9
407.22235	0.6
414.18561	0.9
415.19275	2.2
416.20206	0.8
417.21005	1.7
419.18695	2.0
419.23163	1.0
420.22989	1.3
421.24008	2.3
427.19217	1.5
428.20102	1.4
429.20959	4.8
430.21927	2.8
431.22885	0.9
433.19623	3.7
441.21317	0.5
442.21533	1.0
443.22348	1.6
444.23312	1.7
445.20422	2.0
447.17621	4.8
448.22516	1.2
457.24310	3.6
458.25049	0.8
459.21881	2.8
460.22772	3.1
461.19476	13.8
462.20145	0.6
472.22836	1.3
473.19473	0.9
475.20648	3.1
476.22055	15.8
477.22302	1.1
485.23535	10.9
486.20135	3.2
487.25266	1.4
488.22195	1.9
489.22922	3.0
497.23477	0.9
499.21603	0.8
500.22211	1.8
503.24445	10.0
504.21841	0.7
505.22760	0.9
513.23041	1.2
514.23676	0.6
515.24414	8.7
519.24005	0.6
521.25592	10.7
522.25537	0.7
531.23956	20.5
534.24023	0.6
541.22766	1.3
545.25665	3.9
549.24994	15.9
559.23419	8.4
563.26276	4.4
564.26843	1.7
591.26086	43.2
592.26587	1.3
623.28693	100.0
624.28998	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65058	0.8
52.07316	1.0
60.54498	0.8
71.58879	1.2
107.23515	0.8
111.81062	0.8
113.04853	0.9
139.45570	0.9
168.45009	1.0
196.06668	0.9
311.51447	1.0
326.86255	0.9
347.76184	1.0
351.13367	0.8
375.16681	1.2
377.17938	1.9
385.14825	0.8
388.17703	1.1
389.17856	1.7
390.18845	1.5
391.19272	3.0
392.19965	2.6
393.20776	1.6
399.16290	1.1
400.16852	0.9
401.17725	1.7
402.18677	1.0
403.19772	1.1
404.20645	1.0
405.21216	4.5
406.21588	4.0
407.22299	10.7
413.17953	2.4
414.18570	2.1
415.19257	5.2
417.21045	1.3
419.22751	2.0
420.23083	2.4
421.23959	10.3
422.24768	2.5
427.19336	1.9
428.20087	2.5
429.20874	11.9
430.21646	1.5
431.22647	1.5
433.24692	1.5
442.21738	1.8
443.22522	6.4
444.23233	3.9
445.20670	2.0
447.22580	1.1
455.18384	1.1
457.24042	3.0
458.24863	7.4
459.22086	6.8
460.22900	1.3
461.19781	3.9
463.20963	1.2
470.21027	1.6
471.22171	1.7
472.22702	5.9
473.23172	2.9
474.20569	1.4
475.21301	6.0
476.21637	4.7
477.22986	2.6
485.23804	12.1
486.20059	2.9
486.25165	2.1
488.21771	1.5
489.22983	3.4
499.21448	3.6
500.22067	1.6
502.23282	1.0
503.24484	7.8
513.23029	2.8
514.23438	1.9
515.24158	1.3
517.26288	8.1
521.25006	1.4
529.26178	1.5
535.27069	4.9
545.25494	86.6
546.25739	2.5
564.27289	2.0
573.24994	19.3
605.27618	100.0
606.27740	4.5
623.28650	91.3
624.28973	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	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46707	0.8
68.78112	0.6
92.01267	0.7
98.20761	1.4
132.08037	0.7
139.97125	0.7
195.15909	0.8
197.10744	1.1
209.10777	1.2
211.08696	1.0
211.12686	0.7
221.10918	0.8
223.12457	1.0
225.13850	1.0
237.13846	1.3
238.14568	0.7
247.12398	0.8
266.49777	0.8
273.58771	0.8
340.14587	0.8
354.16290	0.9
377.17554	0.8
391.19412	1.1
403.14731	0.9
404.15845	0.8
405.16644	1.2
405.21347	1.2
417.16943	1.4
418.17578	1.4
419.18546	2.9
432.19382	1.2
433.16745	3.1
435.21909	2.5
446.16644	1.4
447.18298	4.0
448.17831	3.3
449.19125	1.2
461.19220	5.3
462.19858	3.5
463.21240	5.9
475.21161	3.8
476.21680	8.5
477.22955	8.7
478.23453	2.6
479.21271	0.8
489.22958	1.0
520.24200	1.1
521.21185	0.9
531.23816	1.0
533.22443	0.9
535.22589	5.3
536.23920	2.8
537.24689	0.9
545.25275	1.7
547.27130	2.1
548.24084	2.4
549.25128	3.5
550.25488	1.9
554.88092	0.7
563.26508	15.1
564.26794	4.4
576.23633	0.9
591.25897	7.4
594.24341	3.9
595.29059	4.9
605.27441	2.8
608.25781	2.1
623.28522	100.0
624.28778	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	623.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22655	0.5
56.17197	0.6
61.47727	0.5
64.00678	0.4
65.43562	0.5
67.05509	3.8
68.97884	0.5
70.38309	1.1
85.02898	0.7
91.05478	0.8
94.06587	5.0
95.04985	0.6
96.24753	0.5
97.06534	0.5
108.08070	0.6
119.04963	0.9
122.06044	17.2
126.05507	0.6
136.07590	50.4
137.07883	0.6
140.07077	1.1
153.01869	1.4
159.59375	0.5
164.07083	100.0
165.07376	1.3
166.38797	0.5
170.09682	1.0
182.08145	96.8
183.08511	1.3
187.12276	1.3
193.01566	0.6
193.18077	0.5
198.09109	3.5
198.31239	0.6
212.10661	0.8
215.11862	2.7
226.08676	1.3
240.10028	0.9
241.75194	0.5
243.11330	16.2
257.12769	1.5
258.11255	0.7
271.06039	41.6
272.06354	1.4
285.12363	18.9
285.14993	0.3
285.15604	0.7
303.13440	22.9
321.14487	3.4
332.46152	0.5
347.28534	0.6
393.49759	0.5
447.09033	1.3
574.61163	0.6
623.12170	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	623.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89093	0.7
53.03941	0.7
53.70032	0.8
55.01877	1.7
55.05518	4.2
57.03432	2.8
67.05506	10.0
69.03442	1.3
69.07069	3.1
71.04968	0.9
79.05501	7.9
81.03439	1.8
81.07065	10.3
83.08624	1.5
83.47390	0.7
85.51237	0.7
86.27375	0.8
91.05488	8.6
93.07043	6.8
95.04967	1.7
95.08620	7.9
97.06542	2.0
97.10179	1.3
105.07036	7.8
107.04959	1.8
107.08583	4.4
109.06516	2.6
109.10164	3.6
109.67897	0.7
111.08075	0.8
117.07001	3.7
119.08595	4.8
121.10149	2.6
127.58598	0.8
129.07025	3.0
131.08551	3.7
133.10138	5.3
135.08035	1.4
135.11757	1.1
143.08591	2.7
145.10153	4.7
147.11703	2.5
149.09587	1.0
149.32724	0.7
153.01869	1.2
155.08574	3.3
157.10173	2.8
159.11717	2.8
161.09608	1.9
163.11171	0.8
167.08620	2.1
169.10110	2.2
171.11754	2.4
173.13347	1.7
179.08551	1.3
179.14276	0.9
181.10152	2.1
183.11732	2.4
185.13411	1.6
193.10043	1.5
195.11777	2.0
197.13310	1.5
199.11226	0.9
199.14853	1.3
207.11742	1.3
209.13261	2.1
219.17494	1.7
221.13297	1.4
223.08797	0.9
223.12628	0.7
223.14934	1.1
235.14909	1.2
237.16386	1.0
237.88838	0.8
249.10384	0.9
257.19006	2.2
266.83365	0.7
271.06058	19.6
275.20154	4.2
305.39377	1.0
331.23212	0.8
363.16061	0.9
366.04575	0.9
375.16528	1.0
376.17242	0.9
377.17743	1.2
378.18619	1.0
389.17828	1.3
390.18845	1.0
391.19257	4.1
392.20007	1.7
393.20816	0.9
399.16101	0.8
400.16937	0.9
401.17578	2.3
403.19412	1.6
405.20871	1.8
406.21664	1.3
407.22571	1.3
413.17731	1.5
414.18665	1.3
415.19357	2.8
416.20239	1.1
419.18747	1.4
421.20340	1.3
425.17728	0.8
427.19678	0.8
428.19812	1.9
429.16229	1.0
430.22012	0.9
432.15692	0.8
433.16174	1.9
435.21738	1.7
444.19333	1.5
445.20300	2.1
447.18134	3.2
448.18896	1.4
458.21017	1.7
459.18018	1.5
461.19727	1.5
462.20367	1.1
463.20944	2.2
470.17276	1.0
471.22018	2.5
473.19763	1.9
474.20465	3.1
475.16602	1.3
475.21887	2.1
483.22098	1.1
485.19684	2.5
486.20612	2.7
489.17624	0.9
489.23914	4.9
490.19751	4.1
491.20795	3.3
499.21313	9.3
500.18234	1.7
501.23447	4.2
502.20169	1.2
503.21155	3.6
507.24326	1.7
513.19165	3.4
513.37115	1.3
517.22491	15.4
518.22827	1.1
527.20587	3.1
529.22614	5.9
531.20282	2.6
531.38239	1.5
535.23627	2.9
536.23779	1.3
543.12366	0.9
545.21887	21.9
546.22113	1.1
549.40167	1.0
563.22809	2.4
564.23389	2.1
573.21375	8.2
577.24762	2.5
591.22638	4.6
595.25610	1.4
605.23944	42.6
605.41766	4.4
606.24414	2.3
614.55206	0.9
623.25018	100.0
623.41980	20.5
624.25409	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	623.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35408	0.6
53.03942	2.2
55.01867	2.6
55.05258	1.0
55.05510	12.7
57.03434	1.8
65.03931	1.2
67.05169	1.1
67.05508	15.1
69.03426	1.5
69.07070	6.7
71.04972	0.7
79.05496	13.9
79.98010	0.7
81.03424	6.1
81.07064	14.8
81.45956	0.6
83.04980	1.7
83.08625	4.9
88.09814	0.6
91.05484	12.1
93.07051	9.6
94.96871	0.6
95.04954	3.2
95.08043	0.9
95.08613	9.8
97.06526	1.8
97.10181	5.7
98.21478	2.0
103.05468	0.7
105.07041	10.1
105.07692	1.1
107.04961	2.4
107.08596	6.8
109.06520	1.1
109.10152	4.4
111.08059	1.0
115.05451	2.0
117.07017	6.3
119.08596	8.1
121.06512	0.8
121.10164	2.5
123.08096	1.2
123.11735	1.0
125.09628	3.6
128.06238	2.0
129.07011	5.2
131.08607	6.3
133.06505	1.5
133.10139	5.0
135.08081	1.6
135.11729	1.7
141.07005	3.0
142.07779	0.7
143.08574	5.4
144.09308	0.8
145.06487	1.1
145.10132	3.9
147.11702	3.1
149.09633	1.0
153.07092	1.1
154.07822	0.9
155.08568	3.1
157.10109	4.4
159.08076	1.4
159.11720	3.6
160.05273	0.7
161.06018	1.5
161.09621	1.2
161.13290	1.8
163.11220	1.0
167.08600	2.4
168.09314	0.9
169.10060	3.6
171.11650	3.2
173.05981	1.5
173.09650	0.9
173.13260	1.9
179.08640	0.8
181.10107	2.8
183.11652	3.4
185.13281	2.5
187.14844	0.9
189.11217	3.2
193.10124	1.3
195.11739	2.1
196.09995	0.7
197.13298	3.1
199.14861	1.4
205.10158	0.9
205.12161	0.8
207.11816	1.0
209.13310	2.0
211.14836	2.0
213.16429	1.4
220.10016	1.1
221.13298	1.0
223.15033	1.4
225.16324	0.7
227.12807	2.7
233.10857	1.0
235.14716	1.1
237.16411	1.0
239.18068	0.8
241.19537	1.0
259.20737	1.1
271.06003	11.4
271.13373	1.0
271.16953	0.7
272.06500	0.9
273.14920	0.8
273.18576	1.1
274.13693	0.7
275.20380	1.4
291.19662	4.3
295.20370	1.0
314.13147	0.8
315.23474	1.0
335.25931	0.9
342.27618	0.7
349.23550	0.8
349.90778	0.7
362.15530	0.8
363.16330	0.8
363.26907	0.8
373.14642	0.7
374.16565	1.0
375.17093	1.0
376.17300	1.8
377.17700	2.9
378.18533	2.1
379.29913	1.9
386.15665	1.3
389.17972	2.1
390.18991	1.7
391.19412	4.7
392.19962	2.4
393.20654	3.8
397.15280	0.8
398.15729	1.0
399.16061	2.2
400.17078	2.6
401.17892	4.7
402.18469	1.6
403.19547	1.5
404.20203	1.1
405.16858	2.0
405.20908	2.9
406.21225	1.1
407.22458	4.4
413.17786	2.7
414.18796	3.5
415.19403	7.8
416.20309	2.1
417.16415	1.5
417.21222	1.7
419.18625	2.9
419.23087	1.5
421.20267	2.8
426.18933	0.9
427.19708	1.6
428.19958	3.0
429.21365	5.1
430.21625	2.3
431.18558	1.2
433.15878	1.3
433.20728	1.4
435.21783	3.0
437.18457	0.9
441.17117	2.0
442.17886	1.2
443.17996	2.0
443.22507	3.1
444.19504	3.4
445.19785	3.2
446.21375	1.7
447.18307	4.0
447.23169	0.9
448.19107	2.9
455.18604	1.1
456.19711	1.3
457.15607	0.9
457.20813	1.4
458.21143	2.6
459.17731	1.6
461.19650	3.0
462.20517	3.1
463.20822	3.7
469.16528	0.9
471.22476	8.5
472.22495	3.0
473.18930	4.1
474.20221	3.9
475.21268	3.9
476.18304	2.2
477.23624	0.9
483.21448	1.0
484.19223	1.4
485.19824	3.4
486.20502	3.9
489.23764	6.7
490.19373	6.2
491.20096	4.2
493.22455	1.3
499.21368	17.2
500.19141	2.2
501.23206	6.2
502.19641	1.1
503.20752	7.2
507.23813	1.9
511.21439	1.2
513.19196	1.9
514.19965	2.0
516.21149	1.7
517.22296	12.5
518.22491	2.8
525.35687	2.5
527.21210	3.5
529.22437	11.4
531.38269	1.5
535.23364	3.5
536.24213	2.0
545.21844	54.0
546.22095	2.5
547.27081	1.2
549.25153	1.1
549.39453	1.9
555.20166	2.5
563.22955	2.2
564.23303	2.3
573.21307	18.2
577.24493	1.0
591.22461	0.8
595.43787	0.8
605.23938	100.0
605.41602	5.4
606.24524	3.5
623.25024	81.4
623.42700	29.0
624.24756	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	623.1241
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03436	0.1
63.34681	0.1
67.01859	0.4
68.99782	0.5
70.56210	0.3
71.01356	0.5
73.02904	0.2
85.02911	1.0
91.03708	0.1
91.05473	0.4
95.01318	0.4
109.02868	0.1
109.49099	0.1
113.02358	0.3
119.04945	2.0
121.02859	0.6
129.01833	0.2
131.03432	0.1
141.01840	0.8
145.02838	0.9
153.01833	5.3
159.02882	0.3
163.03879	0.6
169.06493	0.2
171.02895	0.6
183.50856	0.1
187.04019	0.1
193.56758	0.1
225.05450	0.4
229.04964	0.4
243.06514	0.4
247.06000	0.1
271.06006	100.0
272.06357	1.4
283.06046	0.1
313.07056	0.2
429.08096	0.1
447.03018	0.2
447.09259	3.3
545.44495	0.1
554.55896	0.1
623.12469	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	623.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
57.03424	0.2
60.04512	0.2
60.79374	0.1
61.02922	0.3
62.06079	0.5
62.83729	0.2
67.05490	0.7
68.99777	0.2
69.03418	0.8
69.07047	0.2
69.53857	0.9
70.06580	0.3
71.01388	0.2
73.02917	0.2
79.05511	0.4
81.03402	0.5
81.07082	0.7
82.06594	0.1
84.08132	0.3
85.02913	2.1
85.06572	0.2
89.03953	0.2
91.05491	0.6
93.07057	0.7
95.05002	0.2
95.08604	0.5
97.02893	0.9
98.21484	0.3
99.04439	0.3
105.07030	1.1
107.08610	0.7
109.02888	0.4
109.10140	0.5
117.07002	0.3
117.11081	0.2
119.04933	0.2
119.08576	0.8
121.06484	0.2
121.10148	0.4
123.08054	0.2
127.03905	0.5
131.08572	0.6
133.06494	1.1
133.10139	0.6
135.04398	0.7
135.11702	0.3
137.06020	0.2
141.01826	0.6
142.07773	0.2
143.08568	0.6
145.04922	0.3
145.10109	0.9
147.04434	0.8
147.11700	0.5
148.04706	0.3
149.13315	0.3
153.01843	1.8
157.10156	0.8
159.03006	0.1
159.04359	0.4
159.11722	0.9
161.13234	0.2
163.03934	0.6
164.41954	0.1
169.10089	0.2
171.02948	0.4
171.11713	0.7
173.13315	0.7
175.14845	0.2
177.05505	0.4
177.16383	0.3
185.13184	0.4
187.14908	0.8
197.13286	0.3
199.14845	0.5
201.12830	0.2
201.16368	0.2
205.15910	0.5
215.14294	0.6
229.04942	0.2
239.07042	0.2
242.05756	11.7
243.06261	0.2
255.06642	0.2
270.05243	10.1
271.03018	0.3
271.06039	9.4
285.07593	100.0
286.07962	1.5
299.05508	0.3
338.26904	0.2
339.27374	0.2
357.27811	0.2
374.28796	0.2
447.09213	0.3
461.10828	5.0
569.31287	0.4
590.19678	0.2
623.16003	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	622.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05515	12.2
57.07072	4.2
63.92097	1.8
67.05508	15.1
69.03416	2.8
69.07063	11.5
70.06583	2.7
71.59701	2.1
72.55782	2.1
77.03958	1.9
78.52975	1.9
79.05497	16.8
81.03407	2.7
81.07063	33.3
83.04979	3.3
83.08646	4.6
85.06484	2.9
87.00824	6.8
91.05480	28.5
93.07050	36.9
95.04974	10.6
95.08046	3.0
95.08614	43.4
95.29060	2.2
95.29618	2.0
97.06542	15.7
97.10159	2.4
99.08086	2.6
103.05479	6.3
105.07037	70.2
107.08603	44.6
109.06522	12.5
109.10159	23.1
111.08086	5.3
115.07541	8.9
117.07017	14.0
119.08589	96.0
121.06525	11.5
121.10150	33.0
123.08068	12.1
123.11694	5.6
125.05972	2.7
125.09651	3.1
128.06230	4.3
129.07010	11.3
130.07790	4.5
131.04936	5.8
131.08582	56.5
133.06522	4.6
133.10135	50.5
135.08047	10.5
135.11703	15.9
137.09624	7.4
141.06981	4.5
142.07776	12.1
143.08560	40.4
144.09364	5.4
145.02847	4.2
145.10138	100.0
147.08031	7.6
147.11707	34.5
149.09607	9.7
149.13217	10.5
151.11191	4.1
154.07729	2.9
155.08578	20.7
156.09387	14.7
157.10138	65.0
158.10898	6.8
159.08095	6.0
159.11705	78.0
161.09618	15.4
161.13257	34.2
163.07645	2.5
163.11151	10.4
163.14847	10.2
167.08597	4.3
167.10638	2.6
168.09372	7.5
169.10168	25.6
170.10919	9.1
171.11694	47.0
173.09671	8.3
173.13275	73.5
174.13863	2.0
175.11208	9.5
175.14819	30.9
177.05537	11.0
177.12781	7.0
177.16351	4.9
181.10164	8.3
182.10921	9.7
183.11711	37.2
184.07303	2.7
184.12497	3.8
185.13272	51.9
187.11255	10.1
187.14836	66.8
189.12735	19.3
189.16373	7.3
191.14328	46.0
193.12170	4.5
193.15874	5.6
195.11673	14.1
197.09505	2.7
197.13269	75.0
197.15010	4.5
199.11208	3.6
199.14830	58.8
201.07660	3.6
201.12730	15.4
201.16399	11.1
203.14340	31.4
205.12332	2.5
205.15915	17.4
207.11925	3.9
207.13864	6.4
209.13254	12.8
211.11172	5.6
211.13087	2.7
211.14856	14.0
212.15536	2.5
213.12759	7.4
213.16339	11.7
215.10890	3.0
215.14336	28.7
215.17990	4.3
215.64014	2.3
217.15862	16.8
219.13918	2.4
219.17609	2.7
221.13382	3.0
221.15359	54.5
222.32471	2.3
223.14816	7.5
223.16901	3.8
225.12718	2.5
225.16415	4.9
227.17937	2.9
229.15811	5.4
231.13783	12.2
231.17427	5.6
233.11678	3.7
233.15332	3.3
235.13277	8.5
235.16960	9.4
237.16379	3.0
239.16388	8.4
239.18336	3.8
243.13838	10.8
245.15424	5.3
249.18541	4.0
251.17880	5.3
253.19598	2.9
261.14841	7.3
267.21146	2.3
271.05969	7.1
271.20648	2.2
283.20535	2.3
319.15454	20.6
337.32452	2.2
339.14392	23.1
347.15128	2.8
350.88577	2.2
365.15912	3.5
366.50864	2.1
373.28928	3.8
389.28448	9.1
391.29956	2.9
401.28323	17.4
403.29755	5.2
407.29886	3.2
413.11386	2.5
419.29449	26.1
421.30798	8.2
429.27664	8.5
435.29056	15.0
437.30545	37.1
439.32385	5.8
447.28964	15.7
453.29895	5.3
455.31714	20.9
465.30029	37.9
483.31161	26.2
486.99670	2.3
493.29434	2.4
501.31943	14.5
505.29276	5.9
511.30652	4.4
523.30389	18.0
525.32330	3.1
539.29596	3.2
541.31757	18.7
551.29877	7.9
559.32629	4.7
569.31287	15.2
587.32080	12.4
590.17535	2.8
605.32928	10.8
622.35712	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	622.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01865	2.0
55.05517	13.5
57.07059	4.2
64.83572	1.5
67.05513	13.9
69.03432	3.5
69.07072	12.0
69.27097	14.4
71.04989	2.3
74.46722	1.4
79.05492	18.1
81.07062	38.8
83.04992	10.0
83.08621	4.0
87.00833	6.1
91.05477	28.7
93.07052	38.1
95.04956	7.9
95.08611	39.5
97.06524	11.4
98.21452	2.4
99.08092	1.4
103.05470	2.8
105.07037	73.7
106.32887	1.4
107.08604	57.9
109.06508	5.3
109.10178	19.5
111.08094	3.6
115.05451	3.4
115.07578	14.0
117.07027	17.0
119.08588	91.2
121.06517	9.0
121.10157	39.3
123.08109	6.8
123.11727	12.1
125.09595	2.9
128.06207	6.4
129.07004	11.0
130.07785	3.4
131.07568	3.0
131.08571	62.1
133.06503	3.3
133.10138	45.1
135.08014	8.5
135.11690	12.0
137.09610	6.1
137.13272	1.7
141.06970	6.8
142.07770	16.1
143.08563	37.5
143.09685	2.3
144.09344	7.4
145.10132	100.0
147.04338	1.9
147.08034	6.7
147.11696	41.9
149.09622	6.0
149.13280	8.9
151.11214	2.8
153.07008	2.4
154.07712	2.5
155.08554	19.9
156.09364	14.4
157.10138	63.6
157.11461	3.3
158.10933	7.6
159.08069	5.4
159.11699	73.4
161.09651	13.3
161.13271	28.2
163.07602	3.5
163.11172	6.8
163.13583	1.4
163.14799	8.6
165.12628	1.7
167.08603	4.1
168.09334	8.6
169.10121	23.7
170.10936	8.8
171.08194	1.4
171.11700	47.0
172.12477	2.8
173.09747	7.4
173.13275	81.8
175.11226	10.5
175.14832	35.0
177.12802	6.1
177.16414	33.7
177.17981	2.0
179.14255	1.3
180.09360	1.7
181.10170	9.5
182.10915	10.5
183.11710	46.1
184.12428	5.5
185.13275	55.9
187.11264	8.9
187.14845	78.2
188.15164	1.7
189.09152	2.9
189.12776	14.0
189.16376	12.5
191.14359	17.4
193.12247	1.7
193.15813	2.3
195.11719	9.8
197.13275	50.9
199.11197	5.4
199.14844	54.0
200.15263	1.7
201.07639	4.2
201.12758	18.6
201.16405	16.3
203.14336	33.8
203.17952	3.3
205.15891	79.9
206.16179	1.9
207.11838	2.0
209.13257	8.1
209.15390	5.1
211.11200	3.5
211.14868	10.5
213.12737	5.8
213.16379	10.9
215.10684	1.8
215.14336	22.7
215.17944	5.4
217.12328	5.1
217.15915	21.8
219.13791	3.6
219.17407	3.8
221.13304	3.2
221.15353	13.7
223.14783	4.4
225.12802	4.0
225.16428	5.6
227.14372	3.3
227.17953	4.1
229.12323	1.7
229.15919	5.3
231.13857	11.8
231.17473	5.7
233.11676	3.6
233.15442	3.0
233.18997	4.1
235.13074	2.2
235.16823	2.7
237.16418	5.1
239.14319	1.9
239.18007	4.1
241.15910	1.9
243.13799	7.9
243.17386	3.0
245.15443	2.4
249.16396	3.1
251.17984	4.4
253.19722	2.9
261.14868	5.5
263.17935	4.1
265.19550	3.1
267.17508	1.7
269.82755	1.4
271.05954	3.3
277.19421	1.9
283.20386	1.8
293.13913	1.4
296.55603	1.6
307.15402	2.6
317.22467	2.6
319.15518	8.2
339.14450	8.6
343.23987	1.5
347.14999	1.9
365.15851	3.6
371.27441	3.3
373.28876	4.1
383.27246	3.4
389.28433	4.0
391.29761	2.1
401.28445	16.0
403.29828	4.0
407.25528	2.1
417.27908	4.6
419.29456	23.3
429.27893	6.7
435.28958	11.6
437.30569	19.6
439.32086	6.5
447.28992	39.3
453.29962	4.3
455.31564	22.8
465.30081	50.1
469.84271	1.5
483.31012	3.8
501.32208	19.2
505.29401	5.2
523.30579	24.5
533.28552	1.7
539.30017	1.5
541.31506	6.1
551.30182	10.8
559.32458	5.6
569.31030	28.3
587.31873	2.9
604.32837	3.4
605.33301	7.6
622.35852	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	622.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27283	0.5
51.21986	0.5
53.03939	0.6
67.05490	0.8
69.03423	0.9
70.06609	1.2
71.59548	0.7
79.05502	0.5
81.03400	2.7
81.07056	0.8
85.02948	1.1
85.88416	0.6
86.06077	0.8
88.26776	0.5
89.03918	6.1
91.05498	2.4
93.07057	0.6
95.04979	1.3
97.02906	1.5
103.05474	13.5
105.07006	0.6
107.04955	0.6
107.08607	0.6
108.08071	0.6
109.02885	1.4
117.03395	19.4
117.07078	0.6
119.04978	0.6
119.08555	0.7
120.08122	1.4
121.02882	1.4
121.06455	0.6
122.06038	1.6
122.09659	0.6
127.03956	0.6
131.04944	42.2
134.03638	1.7
135.04437	1.1
136.07617	2.2
143.04877	0.6
145.02861	58.4
145.06526	4.3
147.04431	1.5
148.07520	2.5
149.05989	7.1
162.05557	0.7
163.03954	1.1
164.07083	0.9
165.09137	1.1
175.07603	1.1
177.05492	100.0
178.05789	1.2
182.50241	0.6
186.05553	1.1
188.07118	2.2
204.06648	0.9
209.13503	0.6
214.18204	1.3
215.14204	0.5
223.47476	0.6
235.08574	0.8
237.10350	0.6
249.10223	1.4
252.08958	0.7
265.09723	1.0
271.05978	3.2
275.09164	2.2
277.09720	1.2
278.10464	0.9
279.11368	1.1
295.10968	0.6
305.08960	0.8
307.10867	0.8
312.12354	30.6
314.13739	1.3
323.10165	0.9
333.08835	0.7
338.04691	0.5
351.09671	1.5
486.16290	1.1
518.18921	1.0
577.38245	0.6
604.20355	1.6
622.20313	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	622.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03943	2.8
60.04538	1.7
62.06088	5.5
65.03928	1.7
67.05495	4.6
69.07059	1.7
69.48401	3.3
69.48822	6.1
70.06604	1.7
77.34475	1.4
79.05500	10.8
80.05010	4.1
81.03432	1.5
81.07050	3.6
82.06596	2.0
83.04978	1.2
85.02892	1.3
86.06078	1.2
91.05494	7.2
91.45355	1.2
93.05798	2.4
93.07048	11.7
94.06572	12.5
95.04972	4.1
95.08618	3.5
96.08145	2.0
97.02864	1.5
98.09708	2.0
98.21523	2.2
103.05476	9.9
105.03425	1.4
105.05795	2.5
107.05005	3.0
107.08640	2.3
108.08128	18.8
109.10150	1.3
110.09702	2.6
118.06551	6.4
119.07296	2.5
119.08622	1.5
120.04489	4.1
120.08118	40.5
121.10094	1.5
122.06042	74.1
122.09680	2.1
127.03920	2.3
131.04945	4.9
132.08057	1.8
134.06023	2.4
135.11681	2.0
136.07590	43.4
137.06042	2.4
138.05504	4.5
138.09138	6.7
145.02823	1.4
146.06050	5.7
147.04416	4.4
148.07585	100.0
150.09180	2.9
152.07091	3.0
154.08670	2.1
163.03847	1.8
164.07129	3.5
166.04982	1.4
166.08687	5.3
172.03986	5.9
180.08200	1.4
190.04985	1.8
192.06633	1.6
194.08379	2.5
197.10814	3.1
204.06624	4.8
206.08357	2.7
207.09196	2.2
208.07970	1.3
208.09874	5.6
209.10750	15.0
211.08626	2.8
220.09958	1.6
221.07027	1.8
221.10768	5.6
222.07886	1.8
222.11604	1.7
223.08707	5.6
223.12418	3.2
224.09447	3.6
225.10188	8.6
225.12079	1.3
234.07742	2.5
235.08698	22.5
236.09454	13.2
237.10260	25.8
238.11017	1.9
239.08119	2.7
239.11824	2.4
241.09804	1.3
247.08662	2.7
248.09460	4.7
249.10251	64.6
250.11023	13.1
251.08208	9.9
251.11804	15.0
252.08739	16.8
253.09776	5.8
261.10245	5.5
263.08170	14.5
263.11548	2.5
264.08911	14.1
265.09738	19.5
266.10321	3.7
267.11328	9.2
269.09238	3.2
271.06116	7.7
277.09735	47.7
278.10483	13.6
279.07782	4.8
279.11279	37.6
280.08472	3.3
281.09311	3.4
282.10034	4.9
283.10822	4.2
289.09702	1.6
291.07626	8.1
291.10895	1.9
292.08350	6.5
293.09088	4.4
295.10840	9.2
298.09424	3.2
304.08469	1.6
305.09235	34.6
306.09830	2.9
306.61807	1.4
307.10776	32.1
309.08716	10.7
309.12189	2.6
310.09552	2.9
311.10233	15.0
311.13495	1.8
313.11948	1.8
323.10272	39.9
327.13553	2.2
328.14438	3.5
333.08649	19.5
335.10117	1.3
338.26855	3.6
339.09824	2.2
342.12213	1.3
342.16101	1.9
343.12943	4.9
343.16953	1.4
347.10245	2.9
351.09787	98.6
352.09683	3.6
353.11594	1.8
354.12076	2.1
355.12976	9.9
356.13885	3.0
356.28067	6.5
357.14655	1.9
358.15637	2.4
365.11383	7.3
370.11554	5.3
370.15521	2.8
371.12384	39.8
371.16827	3.0
372.13065	1.9
374.28946	5.7
383.12408	40.3
384.12811	3.0
386.14847	1.5
398.15250	2.7
406.29672	1.9
414.18362	2.8
424.30408	3.3
430.17593	4.0
441.12985	3.0
442.17801	3.0
442.31421	2.9
443.14795	1.4
445.15924	1.5
458.17017	11.2
462.20273	2.8
468.15439	2.5
474.20038	1.7
476.92209	1.3
486.16620	65.4
487.16272	2.3
490.19785	13.2
500.18198	1.8
504.17630	4.1
518.19226	30.6
519.19403	2.3
536.20331	5.5
546.18683	6.3
550.21930	3.0
562.18018	5.4
572.16504	3.4
578.21472	9.7
586.36658	1.4
590.17786	19.4
594.20612	3.6
604.19275	2.5
622.20264	31.2
623.20581	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	621.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11043	9.1
53.03944	18.9
55.05504	21.4
60.75467	11.5
67.05504	44.0
69.03419	21.1
71.59547	12.3
79.05486	38.8
81.03424	33.1
81.07054	33.7
83.04993	14.9
83.16817	9.6
85.02906	26.0
91.05485	21.9
93.07051	39.3
94.58688	10.9
95.04954	9.4
95.08607	41.6
97.06572	13.6
103.55032	10.9
105.07034	28.9
107.08596	47.0
109.02878	14.4
109.10170	17.2
116.62025	9.8
119.08567	29.3
120.34205	12.0
121.10155	32.4
123.11679	10.1
131.08539	20.6
133.10130	28.9
135.08109	18.8
135.11743	14.2
145.10118	21.3
147.11664	17.1
149.02383	100.0
149.13297	11.2
155.76587	12.1
159.11775	16.7
163.03845	16.5
163.11223	13.6
165.09113	11.9
187.14787	14.9
193.04976	73.6
203.14365	12.6
205.15987	13.5
206.41110	13.1
217.15881	17.2
219.13774	44.8
341.80121	11.8
405.31644	21.0
414.54141	13.4
423.32681	66.0
441.33386	18.8
621.15680	47.1
621.32410	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05143	1.8
53.03946	4.7
55.01879	3.0
55.05509	6.0
55.33320	1.8
56.03574	1.7
67.05512	14.3
69.03436	17.8
69.07079	16.3
69.26881	17.6
71.04996	6.1
72.31630	1.9
78.17850	2.0
79.05128	2.0
79.05514	23.9
81.03418	9.9
81.07062	21.9
83.04992	40.3
85.02912	5.5
85.06544	4.8
91.05497	24.8
93.07043	20.5
95.04981	17.7
95.08607	7.4
97.02880	2.9
97.06536	28.9
99.04478	10.0
105.07047	46.6
107.04974	11.5
107.07949	3.6
107.08608	39.1
109.02890	4.0
109.06525	16.2
109.10163	11.7
111.04457	4.5
111.08097	2.3
115.05479	4.5
117.07018	9.3
119.04950	4.9
119.08595	17.4
121.06508	18.3
121.10156	19.7
122.07307	7.4
123.04426	3.8
123.08083	2.8
125.06011	44.5
125.09603	2.3
127.03934	3.9
127.07546	4.5
129.07033	6.7
130.07802	4.3
131.08589	18.3
133.06485	10.3
133.10143	100.0
135.04398	5.3
135.08066	15.9
135.11681	5.4
136.07584	2.6
137.06012	7.8
137.09630	60.1
139.07454	2.8
141.07039	3.3
143.07042	32.6
143.08580	5.5
144.09439	2.8
145.06496	5.0
145.10136	54.4
147.04445	2.7
147.08020	4.3
147.11705	7.2
149.09717	3.2
149.13284	13.3
151.07555	6.4
153.05447	2.6
154.07730	2.5
155.08597	2.4
157.08769	2.7
157.10109	4.5
158.07281	6.3
159.08070	8.7
159.11710	24.2
161.09633	2.1
163.03893	9.5
163.11189	16.1
169.10121	7.3
171.08026	3.3
172.08823	3.6
173.09657	38.3
173.11174	2.2
173.13252	7.1
177.12762	8.7
179.08578	2.0
187.11223	47.2
189.12755	2.6
191.10733	16.7
191.14316	64.5
197.09622	5.8
205.12279	39.8
207.13689	2.4
209.11748	11.7
209.15379	4.8
215.10695	40.8
233.11763	37.6
234.12379	2.1
251.12827	29.9
257.11768	2.7
269.13977	10.6
309.03931	9.8
329.25906	2.1
359.14902	4.6
377.15884	5.9
395.17010	6.4
395.71173	2.0
413.18185	9.7
441.26840	2.6
459.71478	2.6
621.31903	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	621.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.5
55.01872	4.3
55.05507	7.2
67.05505	15.9
69.03436	11.2
69.07075	12.0
71.04985	4.5
73.21501	1.8
79.05499	21.2
81.03435	13.5
81.07065	25.2
83.04995	27.3
83.08595	2.8
85.02903	8.3
85.06534	2.6
89.28287	1.8
91.05486	22.4
93.07047	14.9
95.04984	17.1
95.08608	8.6
97.02885	5.3
97.06543	21.1
98.21439	4.5
99.04461	10.4
105.07043	39.0
107.04973	10.5
107.08603	36.3
109.02866	6.5
109.06537	16.1
109.10155	9.8
111.04472	2.8
111.08076	2.8
113.06033	2.6
115.05482	3.8
117.07009	7.2
119.04929	5.7
119.08601	15.3
121.06552	12.7
121.10159	17.9
122.07292	8.4
123.04385	4.3
123.08035	3.5
125.06012	29.0
127.03884	7.6
127.07549	6.2
128.06161	2.2
129.06982	5.9
130.07762	3.6
131.08598	16.8
133.06531	4.9
133.10144	100.0
135.04439	3.3
135.08052	22.2
135.11714	3.1
137.05997	10.3
137.09630	64.9
143.07047	25.6
143.08546	6.4
144.09363	3.4
145.06491	3.4
145.10138	40.6
147.04398	9.6
147.08060	6.6
147.11691	5.0
149.09639	5.6
149.13255	11.2
151.07506	5.8
153.05469	2.1
155.08554	4.7
157.10144	6.0
158.07283	5.1
159.08063	5.7
159.11749	13.5
161.09625	3.6
161.13274	2.8
163.03908	3.1
163.07553	2.3
163.11211	11.9
165.09137	2.0
165.82555	2.1
169.10098	7.3
171.08107	2.6
171.11784	2.6
173.05975	2.1
173.09634	24.7
173.13266	6.9
174.43559	1.9
175.07544	2.2
175.11137	3.7
177.12814	3.9
181.29701	2.2
185.09660	2.7
187.11198	28.8
187.14877	2.9
189.09204	2.5
189.12846	3.9
191.10678	15.9
191.14328	50.9
193.12331	2.1
197.09642	2.7
199.11171	3.0
203.10683	2.7
203.14340	3.0
205.12270	22.6
205.16016	3.1
209.11760	16.3
209.15381	3.2
211.13309	3.1
215.10701	23.8
223.13252	3.2
231.05006	2.3
233.11768	26.4
241.73936	2.2
251.12811	33.1
257.11728	4.7
269.13913	11.7
275.12949	4.4
290.52487	2.0
293.13849	3.2
359.14789	5.4
377.15933	13.3
395.17029	10.9
413.18008	11.3
562.60980	2.0
567.29901	2.5
621.39893	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	621.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.7
55.05515	10.6
57.07070	4.2
63.56585	3.8
65.03952	4.0
67.05504	11.0
69.03431	10.2
69.07081	9.2
69.53281	8.0
69.53687	24.0
71.04965	3.8
74.70604	3.1
79.05500	25.4
81.03442	7.5
81.07069	31.6
83.04980	5.7
83.08613	7.6
84.08163	30.9
87.00854	6.1
91.05496	52.8
93.07056	35.1
95.04956	13.8
95.08617	38.2
97.06536	13.5
98.20747	5.3
99.04456	5.2
105.06369	7.5
105.07034	86.3
107.04955	5.5
107.08600	48.4
109.06509	11.2
109.10166	16.2
113.05988	4.4
115.05444	8.6
115.07579	15.4
117.07034	38.1
119.05016	3.5
119.08587	98.2
121.06522	13.3
121.10161	21.8
123.08048	10.0
125.05952	3.5
128.06261	12.1
129.07025	20.4
130.07755	5.2
131.05014	3.7
131.08574	82.1
133.06483	8.5
133.10149	45.6
135.08067	13.5
135.11716	10.3
137.09567	3.7
141.07019	12.3
142.07803	20.2
143.08566	53.5
144.09340	12.1
145.06511	7.6
145.10127	100.0
147.04492	8.5
147.08087	20.7
147.11699	34.7
149.09633	7.3
149.13304	7.5
154.08752	3.6
155.08556	25.6
156.09364	18.9
157.10136	59.4
158.10857	4.8
159.08015	13.1
159.11703	88.0
161.09630	21.9
161.13277	35.8
163.11205	11.3
164.06973	3.5
165.06998	4.9
165.09148	14.7
167.08585	8.7
168.09341	12.6
169.10150	38.7
170.10948	9.4
171.11713	50.0
173.09666	10.0
173.13274	69.8
175.11215	16.8
175.14859	26.4
177.05498	6.7
177.09152	4.2
177.12801	9.3
181.10162	13.4
182.10918	10.7
183.11722	57.2
184.12347	3.7
185.13255	56.7
187.11224	16.4
187.14801	37.7
189.12761	57.7
191.10696	5.0
191.14333	8.2
193.10130	4.1
195.11777	7.8
197.13275	50.5
199.11198	10.4
199.14859	38.3
201.12750	36.1
201.16385	14.4
203.14333	57.0
207.11894	6.6
207.13911	11.1
209.13322	11.8
211.11176	4.5
211.14853	19.3
213.12807	11.7
213.16429	4.5
215.14357	22.0
217.12253	5.9
217.15875	9.3
219.11760	6.3
219.13811	44.7
221.13348	6.4
221.15326	35.9
223.14825	10.0
225.12761	5.6
225.16379	5.3
227.14394	6.8
229.15933	9.4
231.13846	6.2
235.13266	6.8
237.14873	10.1
238.98103	3.8
243.13951	9.0
251.17941	4.5
255.17393	4.2
261.14832	5.1
339.14377	23.6
371.27179	3.8
373.30411	12.1
387.26965	10.1
389.28473	5.4
399.26901	14.8
405.28101	8.9
417.27802	16.5
433.27365	9.8
435.29181	9.6
445.27353	16.7
451.28519	12.3
453.29944	6.2
463.28384	10.7
481.29645	6.1
534.48694	4.7
537.28070	4.5
549.28479	10.4
567.29523	12.7
585.30145	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	621.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53811	1.4
53.03936	3.9
55.05503	5.0
56.05032	3.4
57.07078	2.1
62.73601	1.4
67.05511	10.5
68.08024	1.8
69.03425	5.2
69.07046	6.6
69.26927	4.5
69.27345	12.0
70.06570	2.8
70.35016	1.3
78.95502	1.6
79.05497	11.3
81.03407	6.2
81.07059	15.5
82.84783	1.7
83.08629	1.8
84.08147	100.0
85.02905	4.4
85.08451	1.6
87.00828	2.7
91.05479	16.1
93.07053	16.2
95.04948	5.4
95.08605	13.8
97.06516	4.0
99.04440	3.8
105.07036	29.6
106.12250	1.5
106.95951	1.7
107.08608	14.7
108.08065	3.3
109.02879	2.3
109.06501	3.9
109.10148	1.9
111.98391	1.7
114.80130	1.5
115.05507	2.3
115.07555	4.3
116.10746	2.9
116.58389	1.5
117.07012	8.4
119.04902	3.1
119.08587	31.2
121.06500	4.3
121.10148	10.5
123.08082	2.6
123.45802	1.6
127.03884	3.0
128.06203	3.3
129.06985	7.2
129.10249	2.7
130.07762	2.8
130.08641	10.3
131.08575	20.9
133.06491	3.4
133.10141	15.0
135.04346	2.1
135.08069	6.6
135.11694	3.4
136.07568	7.4
137.09596	2.3
141.06967	4.0
142.07779	6.7
143.08589	23.8
144.09241	3.9
145.02861	3.3
145.06300	1.7
145.10132	34.9
147.04401	7.5
147.08044	7.8
147.11705	13.9
148.07573	4.6
149.09598	4.3
149.13252	4.6
154.07747	2.6
155.08527	8.0
156.09305	7.8
157.06412	1.8
157.10147	27.0
159.08026	3.9
159.11688	29.5
161.09633	7.4
161.13252	10.6
163.03889	4.4
163.07573	2.5
163.11157	2.3
165.09085	5.0
167.08560	3.0
168.09348	5.0
169.10127	12.7
170.10909	4.7
171.11688	14.6
173.09637	3.6
173.13287	25.1
173.34818	1.6
175.11200	6.0
175.14839	7.6
177.05432	3.5
181.10124	4.2
182.10902	2.9
183.11664	16.7
185.13272	19.5
187.11221	4.4
187.14841	11.6
188.03477	2.5
189.12743	12.5
191.14273	3.5
195.11694	4.7
197.13266	22.1
199.11160	3.7
199.14859	15.1
201.07526	2.5
201.12782	12.2
201.14374	2.3
201.16354	3.5
203.14365	14.7
206.04503	1.7
207.11659	2.2
209.13327	2.7
211.14807	6.2
213.12767	2.8
213.16307	2.7
215.14333	14.5
217.15768	2.6
219.13808	5.4
221.13371	2.6
221.15408	6.0
223.14886	2.2
225.12790	2.1
229.12279	1.8
231.13762	2.9
237.16635	1.6
243.13824	6.0
245.15367	2.4
251.17981	2.6
261.14957	2.1
291.59265	1.6
292.26459	4.9
315.21164	1.9
319.15283	2.3
323.10175	4.2
339.14352	6.0
344.24210	2.6
345.24982	2.9
349.13010	3.6
355.29614	17.9
365.15906	2.9
371.27496	2.5
373.30603	36.4
389.28366	2.4
399.26614	4.5
417.27826	6.1
427.11444	3.5
433.27493	3.5
435.28906	3.6
445.27246	2.7
451.28424	5.4
453.30353	2.4
463.28296	5.8
481.29358	4.2
509.29181	2.6
521.29340	2.2
539.29968	2.2
541.28406	2.6
555.29645	3.3
567.29523	2.1
585.30487	7.5
643.46216	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	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.05513	0.8
70.28775	0.6
70.29173	0.5
81.07088	0.5
84.76061	0.3
95.04964	0.4
98.83480	0.3
100.78547	0.3
105.07021	0.4
114.68463	0.3
152.51135	0.3
223.12288	0.4
235.12502	0.3
244.95258	0.3
278.05093	0.3
300.60681	0.4
310.13074	0.5
311.14252	0.3
326.16797	0.4
370.27814	0.4
373.14938	0.4
374.15225	0.7
375.16217	1.2
386.16403	0.5
387.16345	0.7
388.17099	1.2
389.17618	3.3
390.18539	1.2
391.19180	0.8
400.17096	0.4
401.13193	0.4
401.17984	1.0
402.18674	1.6
403.19498	4.5
404.20242	2.3
405.20847	3.2
415.19421	0.9
416.15729	1.6
416.20978	0.7
417.17053	3.6
417.21002	3.5
418.17462	0.8
418.21909	1.1
419.22464	7.3
420.23300	0.8
429.16736	0.6
430.18069	1.3
431.18076	8.4
431.23618	1.0
432.19293	3.2
433.20062	3.0
443.18735	0.9
444.19482	0.9
445.20081	7.7
446.20999	7.0
447.21805	10.4
447.27676	0.6
448.23083	0.5
459.22870	2.7
460.22690	1.2
461.19778	1.1
473.19150	0.8
473.23798	1.1
474.20413	7.0
474.26483	0.5
475.21313	8.2
477.22778	0.3
487.21484	3.4
488.22244	0.9
491.21207	1.4
501.22833	1.6
505.22800	0.6
505.26236	1.0
506.24197	0.4
518.23633	0.7
519.19861	0.6
529.22351	0.8
533.25568	16.2
534.25952	0.8
546.22046	0.4
561.24994	23.2
562.25623	1.3
565.27979	0.6
589.24408	1.3
593.27698	3.7
621.27112	100.0
622.27472	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	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.57163	0.7
59.21087	0.7
59.42514	0.6
67.05502	1.6
69.78572	4.3
79.05479	0.9
81.07043	1.5
91.05450	0.8
95.08607	1.2
98.20836	1.0
98.98463	0.9
109.10184	0.7
111.55654	0.7
126.58674	0.7
127.18502	0.7
145.10152	0.6
211.13275	1.0
238.27194	0.6
259.15134	0.6
268.77661	0.7
271.17087	0.8
313.27100	0.6
324.11407	0.7
358.12936	0.7
375.16479	1.2
387.16580	1.1
388.17072	0.8
389.17746	2.2
390.18216	1.1
401.17645	1.6
402.18530	1.2
403.19266	4.3
404.20007	2.1
415.19543	1.0
417.16891	2.1
417.20944	2.3
418.21643	1.5
419.22327	5.9
420.23233	1.0
431.17804	3.6
431.23450	1.3
433.20090	1.4
443.19061	0.8
445.20929	5.2
446.21140	2.7
447.21753	6.1
459.18118	2.5
460.18808	1.4
461.19662	2.1
473.19400	0.9
473.24109	1.0
474.20432	7.8
475.21475	13.0
476.21301	0.8
487.21329	3.3
501.22995	2.0
505.26544	1.5
533.25653	5.6
561.24988	29.3
562.25635	1.9
589.24487	2.0
621.27118	100.0
622.27045	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	621.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57742	0.3
57.07033	0.4
68.92087	0.3
69.26040	0.3
71.60004	0.4
73.01956	0.3
77.69699	0.3
79.03732	0.3
81.06990	0.4
91.05418	0.5
95.08520	0.4
104.13135	0.3
130.06366	0.4
137.70325	0.3
182.08202	0.3
205.78757	0.3
207.09171	0.5
209.10780	0.4
210.11362	0.3
221.10707	0.4
222.11293	0.4
225.10097	0.4
249.10155	0.5
298.13147	0.4
299.71637	0.3
309.12622	0.3
310.13266	0.4
311.14127	0.4
312.14923	0.4
327.13779	0.3
373.14465	0.7
374.15320	1.2
375.16122	1.3
386.16031	0.5
387.16287	1.7
388.16898	2.6
389.17767	4.8
390.18332	2.3
391.19104	1.0
401.13223	0.4
401.17926	2.2
402.14133	0.8
402.19138	2.3
403.19470	7.4
404.20111	3.7
405.20734	2.5
413.18512	0.4
414.18878	0.3
415.14594	0.5
415.19968	1.7
416.16171	1.8
416.20096	1.5
417.16977	5.8
417.20969	4.6
418.17557	1.3
418.21475	1.4
419.22443	10.9
420.22665	1.0
429.17010	1.2
429.21472	0.7
430.17044	2.1
430.22797	0.4
431.18146	10.5
432.19058	3.5
433.20352	2.6
443.18600	1.3
444.19400	1.3
445.20273	9.0
446.21051	8.2
447.21820	14.7
448.22519	0.7
457.20175	0.5
458.21481	0.6
459.17532	2.2
459.22009	2.8
460.18832	1.4
461.19489	1.1
462.20166	0.4
463.21292	0.6
473.19510	1.9
473.24234	0.9
474.20432	14.2
475.21280	19.3
476.21793	0.8
477.22794	0.5
487.21350	6.5
488.21899	2.4
491.24408	0.6
501.23004	2.8
503.20950	0.5
505.26746	1.6
517.22089	0.6
518.22986	0.7
519.23621	0.6
529.21918	0.8
533.25574	14.0
546.22675	1.2
561.25000	91.0
562.25354	4.0
589.24573	2.4
593.27502	3.4
594.28265	0.4
621.27106	100.0
622.27576	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	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.88042	0.4
52.11622	0.4
52.19007	0.5
71.09917	1.0
71.10246	0.5
83.58833	0.5
84.41985	0.5
97.80658	0.6
98.35825	0.5
209.10835	0.6
235.12291	0.5
329.75766	0.5
373.14435	0.5
375.16241	0.8
376.16898	0.6
387.16220	0.6
388.16946	0.9
389.17664	4.1
390.18347	1.0
391.19119	0.6
401.18066	1.2
402.18927	1.0
403.14771	0.7
403.19537	4.4
404.19992	2.2
405.20963	2.3
415.19580	0.8
416.16220	1.1
417.16159	4.2
417.21143	2.5
418.17563	1.2
419.22360	7.1
420.23135	0.6
430.17688	1.3
431.18097	6.6
431.23636	1.0
432.19019	2.4
433.20230	2.6
445.20166	6.0
446.21140	6.8
447.21802	9.9
457.20581	1.0
458.20929	0.7
459.22772	2.6
461.19675	1.7
473.23642	1.9
474.20468	5.9
475.21326	8.1
477.22714	0.7
487.21518	3.3
488.22281	0.9
491.20856	1.4
501.22754	2.1
505.26276	0.9
512.31769	0.5
518.23389	0.6
529.22473	0.9
533.25543	16.2
546.22955	0.6
561.25024	22.4
562.25348	1.5
589.24982	1.1
593.27557	4.0
593.71637	0.7
621.27124	100.0
622.27289	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	620.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10529	1.8
55.05520	8.6
55.45301	2.0
57.03457	1.8
57.07070	6.2
67.05521	11.1
69.03431	2.5
69.07064	10.3
69.30060	14.5
71.04987	3.1
79.05499	13.4
81.07063	27.6
83.04958	9.7
83.08600	2.8
85.06535	2.6
87.00810	4.6
87.04475	3.3
91.05487	21.2
93.07055	29.0
95.04987	12.2
95.08612	30.8
97.06549	11.5
100.07630	3.0
101.06046	2.3
103.05486	2.2
105.07037	69.4
105.23327	1.9
107.08602	34.0
109.06548	12.2
109.10157	17.6
111.04449	8.4
111.08083	6.8
115.05443	3.1
115.07619	12.7
117.07043	12.1
119.08585	80.0
121.06522	20.8
121.10158	26.3
123.08090	11.5
123.11733	4.8
128.06207	7.5
129.07016	10.7
130.07828	4.7
131.08577	65.0
133.06497	4.2
133.10135	48.8
135.08075	13.6
135.11726	11.4
137.09625	7.2
139.11166	1.8
141.07013	5.8
142.07779	11.3
143.08560	36.9
144.09349	5.4
145.06554	3.7
145.10127	100.0
146.10524	2.3
147.08092	12.8
147.11697	32.2
149.09645	5.4
149.13263	9.1
151.11195	2.9
153.07033	2.8
153.09030	2.1
154.07773	2.5
155.08565	24.0
156.08176	2.4
156.09358	14.5
157.10138	70.9
158.10910	6.6
159.08057	7.5
159.11705	82.8
161.09615	17.1
161.13264	21.0
163.07582	3.2
163.11162	11.7
163.13531	1.8
163.14861	7.1
165.09091	2.5
167.08621	5.4
168.09343	11.3
169.10112	29.3
170.10931	13.5
171.11708	41.0
173.09663	11.6
173.13263	86.9
175.11218	14.8
175.14832	42.3
177.09149	3.3
177.12779	13.9
177.16425	3.5
179.10574	2.1
181.10179	9.4
182.10898	9.1
183.11713	50.9
184.12379	3.6
185.13268	64.6
187.11243	15.0
187.14838	50.4
189.12764	16.2
189.16420	4.4
190.24187	1.9
191.14314	36.2
193.10135	3.1
195.11685	8.3
196.12433	3.4
197.13286	49.2
199.11201	8.9
199.14839	44.4
201.07581	4.3
201.12764	22.9
201.16336	16.3
203.14316	24.4
205.15947	7.0
207.11725	5.2
207.13696	3.6
209.13327	9.2
211.11249	5.2
211.14900	10.6
213.12778	10.1
213.16441	8.1
215.14297	28.8
217.12254	3.4
217.15860	9.0
219.11888	2.5
219.13869	7.8
219.17447	2.6
221.13399	3.7
221.15407	10.2
223.14857	7.2
225.12820	2.9
225.16367	6.9
227.14368	5.5
227.17937	3.4
229.12271	3.4
229.15916	7.3
231.13864	10.9
233.15395	16.6
237.16412	3.8
241.16066	2.0
243.13841	5.8
243.17451	2.9
245.15427	3.7
247.13293	5.8
247.16980	4.0
249.16342	2.1
251.18040	3.4
261.14761	2.5
279.12296	2.4
289.19540	2.1
301.19418	2.6
307.15378	3.6
319.15375	7.1
335.23569	2.3
339.14349	6.5
349.12906	2.6
351.14291	4.2
365.15775	2.9
371.27292	6.2
381.25366	2.5
387.26666	2.7
389.28391	7.9
391.09445	1.9
399.26761	9.9
401.28580	3.4
405.98383	1.9
407.29654	4.4
415.26315	3.3
417.27951	22.2
419.29419	6.9
427.26312	4.7
433.27432	4.4
435.28995	39.3
437.26227	12.8
445.27368	11.0
451.28436	5.9
453.30035	32.1
463.28418	36.3
481.29520	32.4
495.27365	2.7
499.30612	28.3
503.27832	4.2
521.29047	10.6
539.29987	28.4
541.28015	6.0
549.28314	5.6
557.30927	7.5
567.29327	11.8
585.30548	27.7
603.31549	8.0
620.34662	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	620.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.05510	11.0
56.55050	3.1
57.07063	3.4
65.03941	5.2
67.05507	13.9
69.03423	9.8
69.04199	3.3
69.07059	9.4
71.05016	4.7
71.58677	4.9
71.59058	3.6
79.05505	21.2
81.07057	30.2
83.04998	11.1
84.67857	4.0
85.02918	5.0
85.08286	3.4
87.00844	5.9
91.05486	25.3
93.07050	40.6
94.06622	3.5
95.04989	12.4
95.08604	31.8
97.06538	15.2
99.04455	4.1
103.05475	5.0
105.07030	66.3
107.08606	42.3
107.93467	3.5
108.08105	7.0
109.06523	13.4
109.10168	14.3
115.07566	9.9
117.06998	12.3
119.04921	4.1
119.08583	89.4
120.08115	3.8
121.06511	33.5
121.10165	22.7
123.08045	6.0
125.06009	8.6
128.06250	6.1
129.07042	17.7
130.07799	5.1
131.04912	7.1
131.08575	50.2
133.06476	31.3
133.10141	44.2
134.06821	11.5
135.08043	19.1
135.11687	8.9
135.32864	3.8
136.07608	4.6
137.09674	4.4
141.06989	9.3
142.07822	12.4
143.07164	5.6
143.08571	36.1
144.09344	6.2
145.06531	7.7
145.10129	100.0
146.10516	5.5
147.08118	19.5
147.11726	35.9
149.05994	4.3
149.09677	4.9
149.13216	7.5
155.08580	15.0
156.09358	13.4
157.10130	57.6
158.10837	5.2
159.08008	11.6
159.11696	81.4
159.13011	4.6
161.09648	33.9
161.13293	28.8
163.03911	9.2
163.11197	13.0
163.14766	6.1
164.07077	13.4
165.09114	8.7
167.08662	4.4
168.09386	10.5
169.10135	23.6
170.10951	13.2
171.11703	39.7
173.09645	12.9
173.13260	75.2
175.11217	12.6
175.14778	19.4
177.12770	15.7
181.10150	9.3
182.10933	10.1
183.11682	55.4
184.12386	4.0
185.09641	5.2
185.13258	55.0
186.13695	4.6
187.11200	17.1
187.14819	59.1
189.12750	46.4
189.16333	5.2
190.13072	8.6
191.14246	18.2
195.11772	8.3
197.13292	48.1
199.11139	6.2
199.14857	38.9
201.12735	37.2
201.16418	13.0
203.14314	40.2
205.12186	9.0
207.11913	6.8
207.13826	16.5
208.14185	5.8
209.13203	4.4
211.11250	6.9
211.14841	10.0
213.12741	7.9
213.16464	5.1
215.10785	8.9
215.14319	30.6
217.15881	8.8
219.13834	16.3
221.13382	4.2
221.15373	11.8
223.14844	6.6
225.12733	4.2
225.16441	6.2
227.14288	6.5
229.12271	5.0
229.15919	7.9
231.13843	16.1
233.11667	6.0
233.15451	9.0
241.15990	6.9
243.13863	7.9
247.13187	9.7
247.17067	4.3
248.09267	4.7
249.10451	4.8
261.14844	6.5
265.09647	5.7
293.09201	4.1
307.15286	16.2
317.23026	4.3
319.15503	10.0
326.12546	3.9
339.14026	6.6
341.94278	3.6
371.26968	4.4
387.26956	8.0
399.26648	9.0
401.28174	5.7
405.28033	8.9
407.29227	6.7
415.26147	4.5
417.27820	26.5
419.29343	9.3
433.27316	15.0
435.28961	49.4
437.26190	8.2
440.15982	6.6
445.27319	10.8
451.28522	25.9
453.30005	44.2
463.28452	20.6
481.29465	26.2
499.30542	63.8
500.18762	4.9
509.28940	14.1
521.28546	9.7
539.29962	13.8
544.16779	11.3
557.31006	16.1
567.29614	11.2
570.14740	7.2
576.19849	10.3
585.30475	15.0
588.16119	12.8
603.31476	12.0
620.19202	8.3
620.34277	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	620.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01880	0.4
63.02393	0.4
65.03948	0.8
67.05508	0.8
69.03422	1.2
69.07079	0.7
69.40160	1.1
69.40575	2.6
70.06590	0.7
71.04984	0.5
79.05514	1.3
81.03429	5.4
81.07049	1.9
83.08620	0.5
85.02912	3.8
86.09697	0.8
87.00835	1.3
91.05494	11.2
93.07060	1.4
93.91827	0.4
94.07386	0.6
95.08602	1.7
97.02903	3.0
98.20741	0.6
99.04444	1.8
103.05469	0.5
105.07041	3.7
107.08585	1.5
109.02891	3.8
109.10166	1.0
119.04956	23.6
119.08611	1.5
120.08092	0.6
121.10162	1.0
123.04489	0.7
125.00004	0.7
127.03931	8.2
131.04916	1.2
131.08554	0.8
133.10188	1.2
135.08069	0.9
135.11736	0.5
137.09596	0.5
143.08601	0.5
145.10141	1.2
147.04424	100.0
147.11668	0.5
148.04729	0.8
155.25688	0.4
159.11763	0.8
161.09663	0.5
161.13260	0.8
163.03941	0.6
165.05556	0.8
165.09129	1.1
171.11711	0.8
173.13211	0.6
184.07338	3.3
186.13571	0.6
187.14796	0.6
191.14299	0.5
203.14366	1.6
229.16026	0.5
261.07428	0.7
281.78326	0.5
369.10858	1.0
377.08792	0.8
440.49353	0.6
470.16110	0.4
481.09851	22.8
482.10193	0.5
619.38293	1.7
620.18744	0.6
620.38696	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	619.3999
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
53.03947	1.3
55.05513	7.3
57.07065	3.8
59.41954	0.9
67.05502	7.5
69.03426	1.5
69.07077	6.6
71.33298	1.8
79.05493	7.5
81.07063	17.7
83.08621	9.0
87.04429	1.7
91.04954	1.6
91.05491	20.5
93.07054	13.8
95.04987	2.6
95.08617	25.3
97.10127	1.7
105.06378	1.6
105.07039	18.5
107.08605	23.9
109.06543	1.1
109.10163	13.3
113.09613	1.0
117.07012	2.2
119.04964	28.3
119.08588	32.4
121.10158	19.8
123.08078	2.0
123.11693	11.0
124.45428	0.9
131.08589	6.8
133.10135	18.9
135.11705	11.0
137.13240	2.5
142.07791	1.2
143.08592	4.7
144.09219	1.2
145.10149	14.2
146.10564	1.1
147.04422	100.0
147.08093	2.3
147.11699	16.2
148.04729	1.1
149.09561	1.3
149.13292	8.0
151.37952	0.9
157.10173	4.8
158.10931	1.1
159.11731	12.0
160.12311	1.0
161.13271	8.5
163.14807	5.0
165.05507	27.2
165.09114	3.3
169.10141	2.1
170.10701	1.0
171.11678	5.0
173.13274	6.3
175.14833	9.7
177.09145	1.3
177.16402	14.1
181.12163	1.7
183.11682	2.4
185.13258	3.0
187.14787	3.9
189.16406	17.2
191.18007	4.9
197.13284	2.0
199.14857	1.3
201.16438	12.7
203.17992	24.0
205.15921	4.2
205.19514	1.7
207.17407	2.4
208.14598	1.6
211.14867	1.6
213.16367	4.4
215.17996	17.0
217.19562	2.7
221.15390	5.0
222.15685	1.4
227.18015	2.4
229.19518	1.7
235.16850	2.8
241.19518	2.3
243.21216	1.5
247.16937	7.1
249.18510	1.8
253.19609	1.1
255.21089	1.8
261.18491	10.3
267.21231	1.2
271.42297	1.0
280.32764	1.2
287.20016	3.2
288.20520	2.2
290.29208	1.0
299.20004	2.3
301.21625	1.0
313.21469	1.1
347.49753	1.3
352.23801	2.4
353.24423	4.3
355.26218	1.4
391.33493	7.6
409.34604	6.9
411.32834	6.9
437.34195	28.4
523.12097	1.0
539.37000	6.4
559.23340	7.1
587.23029	2.0
619.25732	1.6
619.43372	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	619.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.05511	4.1
57.07068	3.2
64.35439	0.9
65.03941	1.8
67.05511	6.0
69.07070	7.1
69.84142	4.9
79.05499	4.6
81.07059	13.4
81.36192	0.8
83.08630	7.9
87.04076	0.9
87.04485	10.6
88.04786	1.2
91.05483	16.2
93.07052	11.0
95.08611	23.6
97.10163	2.2
104.12036	1.0
105.07040	14.0
107.08602	17.8
109.06530	1.6
109.10155	10.6
117.07002	2.1
119.04942	23.4
119.07792	1.7
119.08591	25.4
121.10159	17.7
123.11697	7.8
131.08582	5.6
131.94499	0.9
133.10143	16.9
135.11681	10.3
137.09590	1.0
137.13298	2.9
143.08540	3.0
145.10133	8.4
147.04417	100.0
147.11682	14.3
148.04678	1.2
149.13239	8.5
153.09067	1.3
157.10132	2.8
159.11713	10.8
161.13258	8.5
163.14830	6.8
165.05484	27.6
169.10143	1.1
170.10875	1.0
171.11685	2.2
173.13263	6.1
175.14844	13.3
177.16380	11.6
187.14813	5.6
189.16393	22.1
191.17984	4.1
199.14787	2.1
201.16406	21.9
203.17972	26.8
205.15858	1.4
207.17421	3.1
213.16422	6.4
214.37480	1.0
215.17946	18.3
217.19542	2.4
219.17549	0.9
225.16354	1.0
227.17847	1.4
229.19482	1.5
233.15453	1.1
235.16869	3.0
239.18147	1.2
241.19531	3.2
243.21149	3.3
247.16907	3.5
249.18610	1.5
253.19516	2.2
255.21129	1.6
259.16946	2.8
261.18539	6.9
281.22876	1.1
287.20200	1.2
301.21680	0.9
315.23187	0.9
355.26266	1.2
391.33688	8.3
394.28122	1.1
409.34735	10.9
411.32492	6.7
437.34158	28.5
493.30075	1.0
619.43079	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	619.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.6
51.09499	3.2
55.05501	7.0
56.30455	3.2
57.07065	14.3
67.05499	10.4
69.07063	8.8
71.60490	3.8
79.05476	7.8
81.07051	15.2
83.08606	6.2
85.06487	3.5
87.04472	100.0
88.04810	9.9
88.78645	3.4
89.06036	3.3
91.05475	15.0
93.07035	14.2
95.08593	24.5
97.10156	3.0
105.07068	15.7
107.08594	20.1
109.10155	10.4
116.07290	3.4
119.04955	20.9
119.08581	23.2
121.06438	4.7
121.10126	17.7
123.11703	8.1
131.08559	7.3
133.10120	15.5
135.11681	10.3
143.08516	4.7
145.10115	14.5
147.04420	67.9
147.08038	4.2
147.11696	12.0
149.13281	4.8
159.11658	6.3
161.13264	9.8
163.14841	6.0
165.05484	13.9
173.13374	5.9
175.14862	9.2
177.16367	6.8
181.12302	3.3
189.16399	13.2
201.16385	12.8
203.17976	15.5
205.15871	6.4
213.16350	4.5
215.17941	12.6
233.18956	4.3
241.19543	3.7
261.18573	7.5
271.20325	4.2
278.21979	3.5
391.33514	4.1
409.34210	4.6
411.32440	4.7
429.20691	3.5
437.34332	21.0
559.23492	16.8
619.24835	9.0
619.42584	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	619.3997
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
53.03934	5.8
54.68326	4.7
55.05520	10.3
57.07074	18.2
67.05511	15.3
67.75989	6.0
69.03441	5.5
69.07061	19.8
71.08703	10.7
71.09042	8.9
79.05493	12.7
81.07053	22.8
82.16679	5.3
83.08611	14.3
86.61922	5.2
87.04478	75.0
91.05505	30.9
93.07059	19.9
95.04980	8.4
95.08605	45.7
105.07040	34.1
107.08614	34.8
109.06425	6.5
109.10169	20.9
117.07021	5.7
119.04913	25.3
119.08578	41.5
121.06477	7.8
121.10158	31.8
123.11752	12.8
131.08609	15.1
133.10117	26.3
135.11725	11.7
143.08539	15.3
145.10147	19.3
147.04427	100.0
147.08022	6.3
147.11702	17.7
149.13283	13.7
157.10146	6.4
159.11737	13.8
161.13274	8.1
163.14865	9.8
165.05508	12.9
173.13295	11.0
175.14883	13.4
177.16423	13.7
181.12285	9.8
183.11629	5.7
189.16435	17.6
201.16406	13.3
203.18034	27.0
205.15874	8.0
212.98610	5.2
213.16399	7.1
215.18002	15.4
221.15314	6.5
247.16963	10.4
261.18469	18.7
409.34686	15.1
411.32541	9.9
437.34360	29.1
539.36932	6.7
559.23322	21.7
594.51624	5.7
619.25000	18.9
619.42590	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	619.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01865	2.0
55.05523	4.8
57.03432	3.8
57.07075	1.3
61.02918	3.3
65.03934	0.9
67.05511	7.2
67.84091	0.9
69.03432	15.0
69.07079	3.6
69.45641	7.1
70.62222	0.8
71.01342	1.1
71.04985	1.8
73.02936	1.3
79.05511	6.8
80.04346	0.8
81.03413	5.5
81.07063	11.7
83.04978	2.7
83.08620	2.2
85.02914	23.9
87.04469	2.5
91.03945	1.9
91.05487	8.7
93.07059	13.0
95.04967	1.9
95.08614	16.6
95.82283	0.8
97.02901	9.0
97.06548	2.2
97.10153	1.0
99.04472	1.9
101.02393	0.9
105.07041	18.7
107.04964	1.3
107.08601	19.2
109.02895	2.5
109.06531	2.8
109.10165	9.7
111.08106	3.4
115.05469	1.7
117.07023	3.2
119.08591	19.8
121.06573	4.1
121.10150	9.9
123.08098	3.0
123.11721	4.1
125.09608	4.4
127.03936	4.7
129.07022	2.8
131.08575	9.3
133.06493	6.9
133.10130	13.8
135.08066	68.3
135.11667	5.0
137.09645	3.3
139.80150	0.8
142.07808	3.1
143.08556	5.6
145.04991	1.1
145.10139	12.3
146.07303	1.2
147.08073	8.9
147.11699	6.9
149.09637	7.2
149.13293	2.3
151.11211	2.1
155.08601	2.5
156.09314	1.5
157.10121	8.1
159.08061	7.5
159.11700	9.5
161.09637	23.0
161.10913	1.6
161.13235	5.0
163.03952	2.0
163.11237	2.5
163.14940	1.5
169.10208	3.2
170.10959	1.7
171.08049	2.6
171.11685	7.0
173.08299	1.3
173.09608	4.9
173.13306	7.0
175.11203	11.2
175.14841	5.1
177.12831	1.7
177.16460	1.0
181.10188	1.6
183.11777	3.3
185.09650	3.2
185.13219	5.9
186.10432	1.5
187.11232	3.7
187.14780	5.7
189.12708	6.2
189.16406	3.1
191.14348	1.8
195.11729	1.9
197.09583	1.1
197.13304	2.4
199.11243	3.0
199.14856	2.9
201.12730	9.9
201.16466	2.5
203.14331	57.9
203.18065	2.6
205.15919	2.9
209.13341	1.3
211.11252	1.2
211.14908	2.5
213.12813	2.5
213.16356	6.3
215.14363	5.9
215.17996	1.0
217.15907	14.3
219.17488	1.4
225.12810	1.6
225.16400	1.2
227.14403	2.4
227.17940	2.0
229.15855	6.4
231.17444	8.9
239.14546	1.5
239.17903	1.7
241.15788	1.8
243.17485	4.0
251.18083	1.9
253.16006	1.3
255.17496	2.8
257.19000	2.5
267.17581	1.8
269.19043	3.7
271.20557	1.0
283.20673	2.1
295.20581	1.3
297.22205	2.3
309.22137	1.2
311.23792	2.1
323.23865	1.7
333.22318	1.8
351.23587	2.1
391.30035	2.2
393.31290	1.0
403.30029	7.7
409.31201	1.3
421.31030	28.8
439.32169	10.7
457.33160	100.0
458.33688	2.9
619.38446	73.7
619.94025	1.0
620.38617	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	619.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
54.35121	3.7
55.01874	6.6
55.05510	12.0
61.82902	4.0
64.67689	3.8
67.05510	33.8
69.03439	16.0
69.07053	20.9
73.02936	4.9
77.35802	3.8
79.05499	39.2
81.03411	12.6
81.07067	48.5
83.05002	14.8
83.08634	6.3
84.08158	17.9
85.02924	18.4
85.06579	7.8
87.00814	7.0
91.05495	49.3
93.07052	42.0
95.05000	20.1
95.08630	25.5
97.02893	4.6
97.06552	25.1
99.04444	4.7
102.09824	4.6
103.05475	6.9
105.07040	85.1
107.04963	7.8
107.08612	46.5
109.02916	10.9
109.06510	8.9
109.10173	16.9
111.04488	4.7
115.05447	6.5
115.07584	11.7
117.07033	23.0
119.04969	7.4
119.08595	86.8
120.08107	4.7
121.06489	34.1
121.10133	25.5
123.04452	8.0
123.08058	13.1
123.11680	5.9
125.06025	13.2
127.03947	10.7
128.06244	9.3
129.07048	29.4
130.07750	5.4
130.08646	4.3
131.04935	5.7
131.08585	69.8
133.06502	69.2
133.10130	47.2
135.04478	7.1
135.08112	20.4
135.11732	9.6
136.07571	6.6
137.05962	6.8
137.09651	11.0
141.07013	9.5
142.07823	21.1
143.07019	5.4
143.08575	53.9
144.09366	6.3
145.06502	9.9
145.10138	100.0
147.04431	20.7
147.08069	30.0
147.11681	34.1
149.09660	19.5
149.13214	10.2
151.07524	7.1
153.07083	5.5
154.07753	7.7
155.08545	30.1
156.09378	15.4
157.06540	5.1
157.10130	62.1
158.10872	6.8
159.08087	18.4
159.11700	74.8
161.09637	29.3
161.13310	22.8
163.03934	15.3
163.11201	17.5
164.07158	4.9
165.09171	19.3
167.08615	5.4
168.09398	10.4
169.10130	32.7
170.10933	14.0
171.08076	5.7
171.11705	54.5
173.09605	26.5
173.13271	73.0
174.10373	5.4
175.11201	17.8
175.14886	9.2
177.12790	10.0
180.09473	5.1
181.10141	13.6
182.10912	9.9
183.11716	49.4
185.09631	10.4
185.13274	54.7
187.11237	31.8
187.14864	21.9
189.12779	74.5
191.10739	10.1
191.14299	23.9
195.11749	15.0
197.13289	46.7
199.11276	11.6
199.14848	41.4
201.12794	34.2
201.16263	7.9
203.10651	7.0
203.14319	26.9
205.12196	25.4
207.11879	7.2
207.13837	23.4
208.12329	4.9
209.13278	12.9
209.88440	4.4
211.11234	8.2
211.14899	10.9
213.12843	16.8
213.16472	7.5
215.10663	15.5
215.14394	21.7
217.12297	7.5
217.15797	6.4
219.13811	15.7
221.13229	6.8
223.14890	8.9
225.12830	10.4
225.16370	7.6
227.14418	11.0
229.15833	6.4
231.13852	11.6
233.11748	12.2
233.15343	5.4
237.16444	7.8
243.13800	5.3
245.15279	4.6
251.12762	4.8
319.15302	6.0
339.14307	6.8
385.25095	7.7
387.27087	7.0
397.25397	9.1
403.26297	9.7
415.26352	18.7
431.25635	7.0
433.27460	19.6
449.26581	5.3
451.28403	16.8
461.26788	15.6
479.27899	11.8
497.29056	5.9
519.27405	6.7
537.28986	5.0
555.29694	11.4
601.29694	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	619.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.6
54.20985	1.6
55.05513	5.6
56.53141	1.8
57.07077	4.8
62.06378	2.0
67.05503	8.4
69.03432	2.1
69.07072	10.3
69.28223	19.3
69.28560	2.3
79.05489	16.0
79.33021	1.8
81.03439	1.7
81.07060	22.0
83.08634	2.7
87.00831	6.6
90.36774	1.7
91.05487	19.6
93.07052	28.8
95.04957	6.3
95.08614	24.9
97.06541	12.4
104.94208	1.8
105.07039	86.9
107.08607	34.3
107.44844	2.0
109.06528	7.0
109.10191	12.0
111.08111	7.5
115.05496	2.3
115.07556	8.9
117.07047	9.8
119.04974	2.1
119.08585	64.7
121.06528	30.3
121.10167	16.5
123.08085	7.8
123.11703	3.4
127.03893	1.9
128.06218	5.0
129.07001	9.4
130.07780	5.5
131.08582	67.7
133.06477	3.1
133.10138	38.6
135.08072	18.0
135.11700	9.3
141.06976	4.5
142.07790	15.7
143.08572	32.1
144.09380	4.4
145.06577	2.0
145.10139	100.0
147.04442	9.4
147.08092	11.4
147.11699	32.7
149.09589	6.0
149.13269	5.7
153.07016	3.2
155.07437	2.2
155.08568	13.8
156.09380	12.2
157.10150	50.4
158.10927	7.2
159.08098	5.0
159.11702	61.9
161.09660	16.1
161.13245	25.4
163.07581	1.9
163.11171	13.4
163.14828	16.7
165.07034	3.1
165.97130	1.9
167.08595	5.7
168.09398	7.9
169.10155	20.4
170.10936	13.7
171.11713	33.0
173.09599	6.7
173.13277	75.1
174.13617	2.4
175.11215	8.3
175.14835	16.6
177.12788	6.1
179.08594	1.9
180.09311	2.8
181.10144	8.2
182.10951	8.4
183.11728	54.6
184.12515	2.2
185.13274	60.5
187.11188	7.1
187.14845	41.9
189.09163	2.6
189.12738	23.8
189.16422	3.4
190.13530	1.8
191.14326	58.5
193.10057	2.5
195.11737	8.1
196.45215	1.9
197.13269	39.8
199.11194	4.6
199.14857	41.2
201.07533	2.8
201.12741	19.3
201.16422	13.9
203.14360	22.7
203.18129	2.1
205.12213	3.7
205.15936	5.3
207.11865	1.9
207.13852	3.9
207.32196	2.0
209.13312	8.4
211.14857	7.4
213.12772	5.9
213.16374	3.6
215.14342	18.9
217.12294	3.9
217.15891	10.9
219.13821	3.7
219.17484	4.4
220.12254	1.8
221.13387	3.2
221.15398	4.5
223.14876	5.8
225.12709	2.4
225.16425	6.4
227.14357	5.9
227.17879	2.7
229.12288	1.9
229.15895	4.4
231.13837	13.8
235.13171	14.0
237.16426	3.3
241.15953	2.5
243.13890	7.3
245.15430	6.2
247.13272	2.7
249.14891	6.0
251.18089	2.9
259.14859	2.1
261.14880	3.8
263.16092	2.4
291.33673	2.2
307.15378	5.6
315.20853	2.4
319.15335	2.5
329.21426	2.0
339.14392	11.1
347.14822	2.9
371.27414	4.2
387.26648	10.8
389.28381	7.1
405.27896	14.0
407.29276	2.5
415.26135	9.6
423.28943	3.8
433.27417	27.2
435.28830	7.2
451.22687	3.5
451.28537	56.2
453.30063	3.5
461.26797	7.3
469.29340	6.9
479.28177	11.7
491.27737	3.0
497.29211	10.5
509.28717	6.0
515.29828	2.5
519.27704	2.8
537.28418	6.6
555.29578	17.5
565.27582	2.7
583.28278	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	619.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73380	0.9
51.51538	1.0
53.00258	0.8
55.05521	2.1
57.07079	2.5
61.22340	0.8
67.05503	3.5
69.03433	0.8
69.07081	1.3
71.59673	1.8
79.05503	2.6
81.07050	5.3
83.05041	0.8
83.08611	2.0
87.04478	4.9
91.05480	2.2
93.07040	3.6
95.04945	1.0
95.08653	1.4
97.06507	0.9
97.10180	1.2
103.26920	0.8
105.07033	5.1
106.07356	0.9
107.08635	3.2
109.06593	1.3
109.10170	1.9
119.08624	3.1
121.06488	1.4
131.08592	1.0
133.10193	2.5
143.08594	1.3
145.10130	1.6
147.08003	1.2
147.11745	1.3
157.10143	1.7
171.11816	1.2
181.12416	1.1
191.06006	0.9
197.13315	1.5
221.15413	1.6
361.62964	1.0
385.14722	1.7
387.16458	1.0
399.16156	2.9
400.16772	5.1
401.17648	3.5
413.17688	4.2
414.18616	7.3
415.19418	9.3
417.21082	1.3
425.17557	1.4
427.19806	1.5
428.20563	5.0
429.21323	9.4
430.21582	3.0
441.16794	1.5
443.18427	3.3
443.22833	3.4
444.19476	3.8
444.24100	1.5
445.20410	2.0
456.20004	2.3
457.20319	4.9
458.21219	3.4
471.22244	6.8
472.23138	5.1
473.19864	2.8
484.19104	1.7
485.19617	3.2
486.20428	6.3
487.21521	3.2
488.22733	1.2
490.20096	2.8
499.21472	9.0
500.22006	3.2
503.24442	6.0
516.21570	1.5
517.22687	1.8
527.20721	2.0
528.21881	1.5
529.34924	1.0
531.23987	8.3
559.23407	100.0
560.23932	2.0
587.22913	16.8
618.42456	2.1
619.25604	39.0
619.43750	8.3
645.74426	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	619.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
57.03418	0.8
58.14391	0.7
61.31982	0.7
65.03932	1.4
67.05498	3.3
68.35317	0.8
69.03419	1.1
69.54712	1.9
69.55125	4.7
70.06581	0.9
76.21413	0.8
79.05505	9.5
79.21872	0.7
80.05018	2.4
81.03400	2.3
81.07044	1.2
85.02930	1.5
86.04298	0.8
87.94149	0.8
91.05488	5.6
93.05790	2.0
93.07051	7.9
94.06561	3.6
95.01336	4.2
95.04961	2.3
95.08606	1.3
96.08116	1.1
103.05486	6.8
105.05787	1.8
105.06966	1.0
106.06555	0.9
107.08554	0.9
108.08128	21.7
116.04984	3.1
118.06551	3.2
119.07340	1.7
120.04441	0.8
120.08111	30.4
122.06033	8.8
123.04398	1.4
124.07621	1.3
127.03978	0.8
130.06465	1.0
132.04475	1.1
132.08072	1.1
134.06015	1.9
136.07582	78.7
137.06018	1.1
138.09122	1.9
144.04472	5.2
146.06018	23.1
147.04370	0.9
148.07579	100.0
149.07990	1.2
150.05493	1.0
150.09132	1.6
152.07100	1.4
158.06035	1.5
160.03955	14.1
160.07613	1.7
162.05511	4.1
163.03865	1.4
164.07074	2.1
166.08643	4.3
172.03934	22.0
174.05473	3.5
178.05009	2.8
184.07602	1.2
186.05482	3.9
188.07086	3.7
190.04962	8.9
196.07523	2.0
198.05583	1.1
200.07187	1.2
202.04974	2.4
204.06567	34.5
208.09816	2.2
212.03391	1.6
212.07040	3.4
214.04987	8.8
216.06543	2.2
218.04541	1.1
223.12282	2.4
224.07097	3.4
226.10979	1.3
227.11775	0.9
228.06529	1.6
230.04567	3.4
232.06049	1.1
236.09480	2.5
240.06645	4.0
240.08743	1.3
241.13486	0.9
242.04512	2.2
244.06049	2.4
249.10413	0.9
250.35780	0.8
251.11827	6.5
252.08679	37.8
252.50006	0.9
253.13400	2.0
254.04208	0.9
261.03253	0.8
264.09042	1.0
265.09750	1.2
268.06021	2.6
270.03928	4.2
272.05429	1.1
278.10556	1.6
279.11346	8.8
280.11945	0.9
288.05011	2.0
293.12723	1.6
295.14395	1.1
297.12323	2.1
307.10785	10.1
311.13864	1.5
312.05032	2.2
323.13925	2.2
325.11801	3.1
330.06052	11.6
335.18771	1.0
336.07199	9.9
339.13416	16.8
340.13647	1.2
348.07202	13.1
349.11722	1.0
353.19556	1.0
362.08704	7.9
367.13062	1.6
368.09769	23.6
368.14340	1.6
380.09695	2.9
395.12399	1.9
411.11868	18.3
429.12961	1.6
437.13638	2.5
443.14417	4.4
455.14517	13.4
465.12924	9.8
483.13998	49.7
484.13904	1.7
487.17389	1.0
515.16583	15.4
587.15259	5.2
619.17438	5.5
619.26917	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01867	5.0
55.05258	3.3
55.05511	47.4
57.07069	5.6
59.04994	2.5
65.03953	5.8
66.04733	2.4
67.05508	26.0
69.03435	12.1
69.07066	19.6
69.46723	12.5
69.47150	4.1
71.04998	8.0
79.05501	35.7
79.91796	2.1
81.07059	55.2
81.07520	4.5
83.04978	15.4
83.08617	52.8
85.06544	10.1
87.04481	5.6
91.05486	49.3
93.07046	58.5
95.04968	29.9
95.08607	35.6
97.06530	24.1
97.10149	3.1
98.21471	3.2
99.04492	6.2
99.08095	3.2
103.05451	4.6
105.07036	100.0
107.04978	5.1
107.08596	64.8
109.06516	20.1
109.10163	25.3
110.40358	2.2
111.08103	10.2
113.09657	9.6
115.05450	7.3
117.07034	29.3
118.07790	2.9
119.04913	2.9
119.08587	83.0
120.09389	5.1
121.06519	11.7
121.10149	56.4
123.08067	18.9
123.11726	7.8
125.09618	15.7
128.06229	13.8
129.06990	17.4
130.07741	10.5
131.08568	43.1
132.09364	4.6
133.06558	3.7
133.10132	45.9
134.10843	2.0
135.08102	12.5
135.11694	10.4
136.08836	2.7
137.09648	7.1
139.11227	14.6
141.07007	10.1
142.07764	28.6
143.08569	48.7
144.09335	10.3
145.06491	7.8
145.10124	67.0
146.07314	3.2
146.44408	2.5
147.08034	15.1
147.11678	18.6
149.09650	13.2
151.11172	4.2
153.06992	5.8
153.09120	2.3
154.07686	3.0
155.08569	26.8
155.10612	15.0
156.09352	23.9
157.10135	66.3
158.10928	10.9
159.08078	13.3
159.11710	42.9
160.08836	13.9
161.09669	14.0
161.13260	8.0
163.11198	9.5
165.07047	8.0
165.12729	3.0
166.07719	3.6
167.08582	13.1
167.10641	16.7
168.09326	7.5
169.10130	32.7
170.10927	10.7
171.11690	40.6
172.12416	3.0
173.09579	12.4
173.13277	19.9
175.11179	10.5
175.14850	4.4
179.08606	10.9
179.14366	4.9
180.09306	4.7
181.10165	19.6
181.12219	23.0
182.10907	14.2
183.11702	28.8
183.13329	3.6
184.12460	6.0
185.09695	4.7
185.13271	23.3
186.10533	3.3
186.14020	3.2
187.11172	6.8
187.14828	10.4
189.12785	6.1
190.13509	3.3
191.14354	9.1
192.09363	4.4
193.10150	16.3
194.10913	8.0
195.11740	28.6
196.12473	9.5
197.09615	4.8
197.13284	36.2
198.13983	4.2
199.11151	6.3
199.14825	16.9
201.12810	6.6
201.16342	5.3
203.14395	6.2
205.10156	4.8
206.10899	5.2
207.11742	14.9
207.13651	4.7
208.12494	10.4
208.14610	6.3
209.13345	23.4
209.15175	4.3
210.14044	6.1
211.11234	4.9
211.14835	22.4
212.15569	5.0
213.12830	9.1
213.16406	7.9
215.14325	17.5
217.15805	3.0
219.11746	5.1
220.12456	6.9
221.13268	11.6
221.15405	25.2
222.14012	5.3
223.14781	13.3
225.12752	6.2
225.14882	9.1
225.16466	7.7
227.14325	5.2
229.15965	3.2
231.11739	7.3
231.17470	4.6
232.12476	4.9
233.13239	8.0
233.15324	39.5
234.16028	2.6
235.14873	9.6
237.16505	10.5
238.17076	3.1
239.14337	4.3
239.18022	2.8
241.15912	4.4
245.13210	3.4
246.14029	5.2
246.16324	4.4
247.14812	6.2
247.17078	5.1
249.16374	10.6
251.14290	2.8
251.17953	5.5
253.16039	4.0
255.17436	34.4
256.18054	3.1
259.14697	4.0
260.15268	3.1
261.16373	8.8
263.18036	7.9
265.15970	4.2
265.19583	6.4
268.18243	5.4
269.19049	7.6
270.14435	2.7
270.19708	6.0
273.16077	3.4
273.18680	5.3
275.17847	4.0
277.19464	4.3
281.18994	6.0
283.20657	5.8
285.18500	3.3
286.19312	4.7
289.19537	4.9
293.18933	2.7
295.20557	4.5
297.18674	3.9
299.20090	8.2
307.20450	2.9
315.21005	2.7
327.20679	2.3
331.24225	4.4
333.22000	3.3
335.23788	3.1
337.25232	6.0
347.23663	5.3
349.25461	3.9
365.24716	9.3
367.26413	6.2
383.25851	8.9
401.28354	3.4
414.29062	3.5
457.31290	3.5
490.34412	3.2
582.40552	4.5
600.41827	4.8
618.43158	13.6
619.24316	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01867	4.3
55.05264	3.2
55.05515	47.0
57.07078	10.2
59.05000	1.9
65.03934	4.6
67.05509	29.7
68.23046	1.6
69.03429	13.3
69.06779	2.0
69.07079	20.5
71.05006	9.1
71.49372	2.0
71.49725	2.8
75.54037	1.8
79.05053	2.7
79.05495	36.4
80.06303	1.6
80.76624	2.0
81.03446	1.6
81.07066	51.1
83.04523	2.5
83.04983	18.6
83.08626	64.5
85.02875	2.4
85.06532	9.0
85.10167	2.2
87.04472	4.2
89.06030	3.7
91.04966	3.7
91.05491	50.6
93.06473	3.9
93.07052	62.5
95.04431	2.9
95.04979	32.1
95.08616	32.6
97.06544	23.3
97.10134	1.8
99.04436	5.2
103.05465	6.1
104.06207	1.8
105.04521	1.9
105.07041	100.0
106.07861	2.1
107.04932	5.8
107.08605	72.5
109.06535	15.1
109.10155	32.5
110.10487	2.0
111.08078	6.3
113.09662	9.4
115.05447	6.2
116.06252	2.6
117.07033	23.1
119.04936	2.0
119.08593	84.6
120.09366	5.4
121.06546	11.6
121.10157	50.3
123.08073	19.6
123.11709	7.0
125.09660	15.1
128.06200	15.4
129.07011	23.1
130.07805	9.4
131.08585	54.0
132.09352	6.0
133.06537	3.5
133.10144	49.2
135.08058	13.0
135.11707	9.7
137.09659	7.7
139.11188	16.4
141.06982	8.3
141.09065	1.8
142.07805	24.5
143.08580	54.9
144.09369	11.5
145.06482	6.4
145.10139	77.8
146.10820	2.3
147.08049	16.1
147.11703	24.2
148.08846	2.1
149.09630	17.8
149.13266	3.5
151.07542	3.8
151.11159	2.5
153.06993	4.7
153.09074	2.4
154.07759	3.5
155.08618	21.2
155.10648	15.8
155.96800	2.1
156.09372	20.5
157.10141	60.8
158.07233	2.1
158.10899	13.4
159.08090	16.4
159.11700	38.8
160.08836	10.2
161.09596	15.4
161.13252	6.3
163.11214	9.6
165.06995	8.4
165.09097	3.2
165.12761	3.0
166.07790	5.4
167.08600	12.6
167.10698	21.6
167.14250	2.5
168.09348	7.8
169.10146	37.8
170.10893	10.8
171.08026	2.1
171.10271	3.2
171.11679	34.1
172.12431	4.4
173.09663	8.6
173.13295	16.8
175.11139	10.3
175.14865	3.8
179.08516	10.2
179.14307	6.9
180.09375	6.4
181.10144	20.0
181.12241	27.8
182.10953	15.0
183.11722	24.9
183.13332	3.0
184.12465	6.8
185.09627	6.1
185.13277	24.0
186.10370	2.3
186.14021	5.3
187.11185	8.7
187.14787	8.8
189.12750	6.6
190.13605	4.0
191.14334	9.5
192.09363	3.5
193.10161	11.8
193.11790	1.9
194.10887	8.2
195.11722	27.6
195.13594	4.3
196.12476	9.9
197.09749	2.2
197.11461	2.3
197.13263	38.9
198.13992	4.4
199.11201	9.5
199.14804	15.6
201.12698	5.7
201.16335	2.7
203.14320	6.4
205.10161	5.5
205.12201	3.1
206.10980	5.9
207.11702	19.1
207.13812	6.3
208.12459	9.8
208.14381	3.5
209.13283	30.2
209.15187	2.5
210.13986	5.2
211.11287	4.3
211.14844	19.5
213.12750	7.6
213.16397	7.3
215.14323	16.1
217.10265	3.6
217.15913	3.1
218.16675	4.4
219.11627	6.4
219.13748	2.2
220.12468	4.6
221.13252	17.6
221.15393	20.5
222.13924	3.7
223.11366	1.9
223.14816	16.3
224.15581	2.7
225.12718	4.7
225.14857	23.1
225.16179	3.4
225.16780	4.6
227.14311	6.8
228.14915	2.0
229.15921	4.1
230.11021	2.3
231.11732	4.6
231.17424	2.5
232.12492	3.6
233.13255	8.6
233.15356	46.1
234.13992	4.3
234.16098	4.4
235.14934	12.0
235.16843	2.8
237.12706	2.8
237.16476	12.6
239.14362	3.1
239.17953	5.1
241.15900	4.6
243.11647	2.7
244.12280	2.9
245.13252	4.7
245.15526	2.0
246.13962	4.6
246.16319	3.1
247.14799	9.2
247.17018	5.4
248.15517	3.0
249.16402	11.6
251.15297	2.0
251.18025	6.2
253.15880	5.2
253.19571	4.0
255.17459	27.0
257.13217	2.6
257.19022	3.6
259.14703	4.7
261.16367	7.3
263.17984	7.1
265.19492	7.6
267.17340	4.1
268.18112	4.8
269.19025	7.2
270.19806	8.0
271.17093	2.4
271.20511	5.1
273.16049	2.7
273.18536	8.0
275.17966	6.4
277.19650	3.8
278.20169	2.1
279.17642	2.0
281.18951	8.2
282.19675	3.5
283.20578	4.7
284.21335	2.3
285.18649	4.3
286.19257	5.5
287.20258	4.0
289.19669	3.7
293.18848	3.2
294.19772	3.2
295.20474	4.0
296.17386	1.9
297.21722	2.4
299.20090	5.7
300.20789	2.5
307.20654	2.3
311.20096	4.5
312.20758	2.5
313.21811	2.2
315.21008	2.6
317.18848	2.2
319.20483	2.5
319.23999	2.4
325.21753	2.2
331.24335	4.1
335.23718	3.8
337.25275	6.7
341.22321	2.0
345.22159	3.0
347.23840	5.4
349.25180	6.0
351.23343	2.8
359.23837	3.6
360.24484	4.5
365.24747	8.6
367.26364	5.9
375.26877	3.0
383.25864	11.6
399.26819	2.6
414.29266	2.5
429.31448	2.1
457.30865	6.1
582.40338	2.8
600.41589	5.3
618.42999	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01870	4.6
55.05264	2.8
55.05514	43.9
57.07069	6.6
65.03929	5.1
67.05508	30.3
69.03429	10.5
69.07072	19.5
70.98045	2.2
70.98444	2.5
71.04996	6.8
79.05502	36.6
81.07065	48.1
83.04980	19.5
83.08625	59.3
85.06536	8.5
87.04460	5.5
88.51368	2.5
91.05484	54.9
93.06470	4.7
93.07054	64.3
95.04977	28.9
95.08136	2.9
95.08624	33.2
95.09185	4.9
97.06081	2.1
97.06542	22.9
97.10125	3.6
99.04416	5.1
99.39643	2.6
100.74225	2.3
101.21658	2.4
103.05457	5.7
105.07037	100.0
107.04956	7.4
107.08604	59.6
109.06521	18.7
109.10159	26.4
111.08065	9.8
113.09646	9.1
115.05447	6.7
116.06230	3.1
117.07017	23.6
119.08598	80.8
121.06524	14.6
121.10151	56.2
121.11008	2.9
123.08072	21.1
123.11658	3.1
125.09647	20.1
128.06255	13.2
129.07011	26.9
130.07782	7.4
131.08571	45.3
132.09383	4.3
133.06543	5.7
133.10139	43.9
135.08083	14.8
135.11694	9.0
137.09627	6.7
139.11197	15.2
141.06937	12.7
142.07788	21.6
143.08563	45.4
144.09410	14.4
145.06544	6.5
145.09045	4.4
145.10132	71.3
147.08066	15.1
147.11711	21.0
149.09642	13.9
149.13272	3.3
151.07500	4.4
153.07001	6.2
154.07782	5.0
155.08549	25.1
155.10646	13.5
156.09398	17.2
157.08932	4.8
157.10135	60.9
158.10909	7.1
159.08052	12.0
159.11685	32.8
160.08847	13.3
161.09633	12.4
161.13269	6.4
163.11142	8.1
165.06937	4.7
165.12698	5.1
167.08591	16.8
167.10698	20.8
168.09332	6.0
169.10159	33.2
170.10916	9.5
171.11684	32.9
172.12448	7.5
173.09615	8.2
173.13237	15.4
175.11191	12.3
175.14818	6.5
177.12701	3.4
179.08582	12.5
179.14349	4.4
180.09358	6.1
181.10130	19.3
181.12247	19.3
182.10902	12.9
183.11697	31.3
184.12476	4.9
185.09673	6.1
185.13286	15.0
187.11217	4.5
187.14807	10.2
189.12849	5.3
190.13425	3.2
191.14331	11.1
192.09216	3.4
193.10146	10.4
194.10898	11.4
195.11739	24.7
195.13541	4.4
196.12485	10.4
197.13293	32.9
198.13971	3.4
199.11201	5.9
199.14806	16.6
201.12691	4.3
201.16458	5.4
203.14317	6.3
205.10190	4.3
206.10918	5.0
207.11707	17.5
207.13794	8.2
208.12463	6.2
208.14494	3.5
209.13335	17.7
209.15222	4.8
210.14078	4.5
211.11163	4.4
211.14845	18.9
213.12737	4.3
213.16263	5.8
215.14304	20.2
218.10893	3.4
218.16676	4.2
219.11719	7.9
220.12482	4.0
221.13239	15.2
221.15395	17.4
222.13847	4.6
222.15765	4.5
223.11134	2.5
223.14873	16.7
225.12889	5.2
225.14836	11.3
225.16661	5.8
227.14259	5.8
229.15897	4.1
231.11676	5.7
232.12471	3.9
233.13242	6.7
233.15341	37.3
234.13890	3.7
234.16013	3.8
235.14813	10.5
236.15868	2.9
237.12819	2.7
237.16379	10.5
241.16017	3.3
245.13240	5.0
245.15437	3.5
246.14055	3.2
246.16287	5.9
247.14769	7.8
247.16936	6.3
248.15709	3.7
249.16344	8.1
251.17944	3.4
253.15926	4.0
255.17412	27.4
259.14615	4.0
261.16400	6.3
263.17987	7.6
265.19461	6.1
267.17545	3.6
269.19034	6.0
270.19788	7.1
271.20428	3.4
273.18588	4.3
275.17795	4.6
277.19470	5.8
281.19046	6.4
283.20374	4.1
285.18515	4.1
289.19464	3.8
295.20450	3.4
299.20197	5.9
307.20627	5.1
311.20178	4.0
337.25336	5.7
345.21967	3.5
347.23700	4.5
349.25287	5.1
360.24539	3.6
365.24670	4.8
367.26349	6.2
383.25848	11.5
600.41705	6.5
618.42633	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.7
53.03950	4.2
55.01867	3.6
55.05514	45.7
56.24202	1.5
56.96574	2.7
57.03434	1.9
57.07066	6.8
59.04996	2.2
65.03938	5.8
67.05161	2.2
67.05508	27.6
67.41950	1.6
69.03442	12.7
69.03788	2.6
69.07075	18.1
69.29510	1.4
70.93832	3.9
71.04987	7.5
77.03945	1.5
79.05499	36.7
81.07065	47.8
83.04987	18.5
83.08620	54.5
85.06543	7.3
87.04466	3.9
91.05483	55.9
93.06459	3.6
93.07044	64.6
95.04975	29.2
95.08607	29.9
97.06529	24.6
97.10193	1.9
99.04448	6.3
103.05481	4.5
105.04527	2.1
105.07040	100.0
106.07851	2.9
107.04959	3.7
107.08597	70.2
108.05738	2.4
108.09314	2.2
109.06511	13.8
109.10164	26.9
111.04466	1.6
111.08089	8.5
113.09657	8.4
115.05459	6.9
116.06222	2.7
117.07028	20.5
119.04945	2.1
119.08587	74.5
121.06538	11.9
121.10147	57.3
123.08076	16.1
123.11724	6.4
125.09634	18.4
126.10447	1.7
128.06223	16.1
129.07016	20.3
130.07790	7.3
131.08572	45.2
132.09341	4.5
133.06497	4.5
133.10138	46.7
134.07298	2.7
134.10919	2.7
135.08058	14.9
135.11673	9.6
137.09645	10.4
139.11171	16.6
141.06987	11.3
142.07793	26.9
143.08562	44.0
144.09363	14.4
145.06555	8.7
145.10127	71.7
146.07237	2.2
146.10896	1.9
147.08037	12.4
147.11691	22.3
149.09618	15.1
149.13249	1.9
151.11218	3.3
153.06995	4.5
153.09132	1.8
154.07742	5.3
155.08583	20.2
155.10634	13.9
156.09354	17.7
157.10138	63.0
158.07213	1.6
158.10910	7.2
159.08054	15.0
159.11697	34.1
160.08847	12.2
161.09644	12.2
161.13280	6.2
162.10497	1.6
163.11211	6.3
165.06990	10.2
165.09189	2.3
165.12720	4.0
166.07802	4.5
167.08572	12.9
167.10677	19.8
168.09354	8.6
169.10124	33.5
169.12247	1.7
170.10947	11.1
171.08029	2.0
171.10210	5.3
171.11667	36.3
172.12503	4.1
173.09653	9.1
173.13261	14.2
174.10454	1.9
175.11206	11.7
175.14883	4.2
177.12679	2.2
179.08517	12.9
179.14371	4.4
180.09341	6.0
181.10138	22.5
181.12262	23.4
182.10896	11.5
183.11720	24.3
183.13522	2.4
184.08781	2.1
184.12514	6.0
185.09624	4.0
185.13278	20.1
186.10442	2.3
186.14084	2.3
187.11241	7.9
187.14757	8.8
189.12791	5.6
190.13562	4.0
191.14375	10.1
192.09351	4.7
193.10129	18.3
194.10934	10.6
195.11716	24.7
195.13516	2.7
196.12424	9.4
197.09621	2.9
197.11435	2.6
197.13260	40.6
198.13942	2.8
199.11174	6.8
199.14838	14.8
200.15607	2.0
201.12753	3.7
201.16454	4.2
203.14355	6.4
205.10126	4.5
206.10933	6.7
207.11742	14.7
207.13609	3.2
208.12482	8.6
208.14442	3.8
209.09457	2.0
209.13287	23.4
209.15363	5.2
210.13976	6.4
211.11189	4.2
211.14793	19.2
212.11960	3.0
212.15515	2.7
213.12808	9.3
213.16409	7.5
215.14369	18.5
217.15959	2.7
218.10852	3.3
218.16747	2.8
219.11717	6.1
219.13744	2.8
220.12453	4.9
221.13284	11.5
221.15408	19.7
222.14070	6.1
223.14796	17.1
225.12756	5.6
225.14453	10.7
225.16502	5.6
227.14343	7.6
229.15837	2.9
230.10989	3.2
231.11615	3.9
231.17535	3.3
232.12485	4.6
233.13251	10.0
233.15405	43.7
234.13930	3.9
234.16093	3.7
235.14841	10.0
235.16994	3.6
236.15594	2.4
237.16522	14.1
238.17188	2.3
239.14377	5.5
239.17877	3.1
241.15820	3.0
243.11734	2.5
243.17346	2.3
244.12479	2.1
245.13246	5.2
245.15538	3.2
246.13948	2.5
246.16220	4.4
247.14717	9.6
247.17091	3.5
249.16425	11.0
251.18008	4.6
252.18727	2.9
253.15781	3.7
255.17424	30.6
257.18958	2.1
259.14804	3.0
261.16409	7.3
262.17197	2.5
263.18091	7.3
265.15930	2.9
265.19568	5.7
267.17380	5.3
268.18256	4.6
269.18994	5.7
270.19843	9.3
271.17105	2.4
271.20560	5.1
273.16110	3.5
273.18552	4.9
275.17902	5.6
277.19482	3.1
279.17572	1.9
281.18997	7.0
282.19800	3.3
283.01862	2.2
283.20575	4.9
284.21341	2.5
285.18637	3.2
286.19333	5.7
287.17517	2.7
287.20282	3.2
289.19452	5.3
294.19678	2.8
295.20627	4.7
296.21390	2.2
298.19312	2.5
299.20105	5.1
301.16162	2.1
301.21832	2.6
307.20389	2.6
309.22195	3.1
311.20111	2.3
311.38992	2.4
317.18805	1.9
319.20706	2.2
321.22055	2.3
331.24109	3.1
334.23242	3.0
337.25360	4.9
345.21848	3.1
347.23914	3.2
349.25381	4.0
360.24551	2.8
361.25317	2.4
365.24747	9.2
367.26349	4.2
377.24722	2.2
383.25708	11.2
399.26752	2.8
414.29108	3.3
439.30173	2.1
457.30716	3.4
490.34686	2.3
567.37970	1.9
582.40094	2.4
585.39551	1.7
600.42004	3.2
618.23053	4.7
618.43054	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.1
53.82847	2.4
55.01875	5.6
55.05258	3.8
55.05513	49.6
55.42694	2.6
55.92055	2.5
57.07072	7.9
59.45571	2.4
64.49132	3.2
64.60925	2.9
65.03931	2.7
67.05505	33.8
69.03423	14.5
69.07076	16.7
70.72678	6.0
71.04984	8.2
79.05496	36.8
81.03436	2.9
81.07061	47.2
83.04992	16.8
83.08620	70.4
85.06539	9.6
87.04463	4.1
91.05484	52.4
92.06239	3.1
93.06471	4.0
93.07052	69.9
95.04981	38.1
95.08608	38.3
97.05972	3.5
97.06541	24.5
99.04457	4.9
103.05466	4.1
105.04459	3.1
105.07037	100.0
106.07813	3.9
107.04950	7.9
107.08601	70.2
109.06510	17.5
109.10168	27.7
111.08076	7.3
113.09637	11.2
115.05443	9.1
117.07011	27.2
119.08584	100.0
120.09393	5.4
121.06521	16.6
121.10158	48.1
123.08082	32.7
123.11717	6.5
125.05996	3.0
125.09631	17.8
126.10365	3.1
128.06215	12.2
129.07014	27.9
130.07802	10.2
131.08577	56.5
132.09427	6.1
133.06477	5.4
133.09171	1.9
133.10133	50.6
135.08058	18.2
135.11673	9.4
137.09570	13.1
139.11172	12.7
141.06985	7.4
142.07791	30.6
143.08568	60.0
144.09312	11.8
145.06453	9.4
145.10132	85.4
146.10876	5.6
147.08043	25.6
147.11705	21.8
149.09595	16.2
151.07550	8.2
151.11128	4.1
153.07001	3.6
154.07816	4.5
155.05997	3.5
155.08560	19.6
155.10600	12.9
156.09343	25.0
157.10135	80.6
158.10912	8.8
159.08064	16.4
159.11713	40.0
160.08844	14.4
161.09616	10.9
161.13277	8.3
163.11221	15.3
165.06993	11.1
165.09103	17.8
166.07822	5.0
167.08627	13.7
167.10695	18.0
168.09366	8.2
169.10136	37.6
170.10924	10.1
171.10226	4.9
171.11656	43.2
172.12480	8.8
173.09642	11.6
173.13269	16.7
175.11171	20.8
175.14815	3.8
178.07935	3.0
178.09854	3.8
179.08533	14.1
179.14374	6.2
180.09363	4.5
181.10132	17.3
181.12239	29.9
182.10928	14.0
183.11734	26.6
184.12462	6.2
185.09663	4.2
185.13261	21.5
186.10330	3.6
186.14069	4.1
187.11174	8.8
187.14816	6.1
189.12668	5.1
190.13499	4.2
191.14293	12.1
192.09396	4.0
193.10152	16.3
193.12149	5.4
194.10939	10.9
195.11734	29.0
195.13542	5.2
196.12413	14.9
197.09770	5.8
197.13258	34.6
199.11174	11.5
199.14806	12.1
201.12654	6.4
201.16344	3.5
203.14418	17.1
205.10170	6.2
205.15804	3.0
206.10869	6.0
207.11710	19.1
207.13829	9.3
208.12514	9.0
208.14618	14.9
209.13260	29.0
209.15189	4.8
210.14020	6.7
211.11270	6.4
211.14861	24.0
212.15515	3.0
213.12741	11.6
213.16431	4.9
214.13496	2.9
215.14261	13.3
217.10149	3.8
217.15800	3.3
219.11644	7.0
219.13736	4.6
220.12581	6.5
221.13220	14.8
221.15381	64.0
222.13991	5.3
223.11327	3.8
223.14876	16.3
225.12695	7.1
225.14836	18.9
225.16711	4.9
227.14293	7.0
227.17888	3.2
229.15924	3.3
231.11815	4.1
231.17368	4.0
232.12541	4.6
233.13271	6.4
233.15369	34.9
234.13976	4.1
234.16116	9.8
235.14749	9.5
235.16989	3.5
237.16537	14.2
239.14197	4.5
239.17908	4.6
245.13235	4.6
245.15424	3.3
246.13934	5.2
246.16188	5.4
247.14713	4.6
247.16966	11.8
249.16386	10.0
251.18030	4.5
255.17522	23.7
259.14792	3.3
259.17151	3.7
261.16342	7.6
263.18024	5.0
265.19614	5.4
267.17416	3.2
269.18930	5.2
270.19711	5.9
274.19400	5.0
277.19424	3.7
279.17468	4.9
281.19095	6.0
286.19318	7.5
287.20157	40.9
295.20377	5.0
299.20020	10.5
300.20660	3.4
312.20923	6.5
313.21820	4.3
319.20551	5.3
325.21646	8.7
329.21539	3.6
333.22183	3.1
337.21530	7.3
345.22034	3.4
347.23718	6.2
352.23950	60.2
365.24939	15.0
367.26190	3.9
377.24628	3.2
383.25534	8.9
395.25891	6.5
414.28894	3.5
472.31857	5.2
525.35583	9.3
526.35425	3.1
538.36505	78.1
539.37329	3.4
559.23083	15.9
600.40948	3.9
618.42871	20.5
619.25299	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	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.6
53.03948	3.6
55.01869	2.6
55.05516	24.9
57.07085	10.8
59.04989	2.9
61.88412	1.5
65.03940	2.1
67.05511	14.1
69.03432	7.3
69.07069	6.6
71.04977	3.6
71.59525	2.0
71.59940	2.4
77.62299	1.4
79.05499	21.5
81.03413	2.0
81.07066	27.8
83.04980	5.9
83.08629	32.2
85.06547	6.5
86.89442	1.4
87.04478	12.0
88.49701	1.5
91.05485	27.4
91.06018	2.9
93.07050	34.3
93.27697	1.4
95.04977	16.8
95.08617	20.5
97.06566	12.3
99.04459	2.5
103.05454	3.7
105.07041	51.8
107.04968	2.3
107.08605	30.9
108.09425	1.6
109.06528	11.0
109.10188	10.2
111.08067	3.6
113.09626	3.5
115.05482	3.0
117.07008	14.7
119.04946	2.0
119.08583	50.0
120.09407	2.9
121.06527	9.6
121.10163	23.1
123.08073	20.9
123.11750	2.3
125.05974	5.7
125.09631	4.8
128.06221	4.6
129.07031	14.9
130.07787	6.8
131.08586	34.2
132.09358	3.6
133.06485	4.2
133.10138	27.1
135.08061	12.7
135.11690	6.0
137.06004	3.3
137.09663	9.4
139.11179	4.3
141.07030	3.8
142.07782	13.5
143.08574	25.0
144.09369	12.4
145.06494	3.7
145.10135	47.0
146.10916	2.3
147.08066	15.4
147.11674	9.5
149.09627	10.4
151.07526	11.0
154.07768	2.7
154.69815	1.5
155.08595	9.2
155.10695	5.9
156.09344	11.6
157.10153	43.2
157.11455	3.1
158.10858	6.3
159.08051	7.0
159.11702	23.6
160.08862	10.3
161.09618	8.8
161.13269	5.9
163.11192	10.3
165.07065	2.8
165.09134	28.5
167.08536	4.0
167.10707	2.5
168.09377	3.3
169.10104	17.1
170.10899	5.4
171.08116	1.7
171.10246	2.8
171.11684	22.9
172.12471	5.4
173.09647	6.2
173.13264	9.4
175.11180	16.8
175.14804	1.8
177.09091	2.8
178.10020	2.0
179.08563	3.8
179.10683	2.6
179.14328	4.9
180.09372	2.6
181.10228	9.1
181.12227	14.8
182.10962	5.0
183.11732	13.8
183.13351	1.9
184.12415	1.9
185.09570	2.6
185.13252	7.6
187.11220	7.7
187.14853	4.1
188.11938	1.8
189.12776	7.7
190.13498	7.3
191.14319	4.8
193.10143	6.2
193.12221	6.9
194.10918	5.6
195.11708	12.8
195.13573	3.3
196.12428	4.2
197.09583	2.8
197.13268	12.6
198.10345	2.9
199.11171	5.3
199.14925	2.8
200.15564	2.0
201.12758	6.7
203.14365	11.4
206.10930	1.9
207.11679	5.2
207.13832	7.0
208.12576	3.3
208.14600	11.9
209.09746	1.7
209.13298	14.3
209.15176	3.2
210.13989	2.8
211.11179	5.7
211.14818	6.5
213.12712	4.9
217.12303	2.5
217.15942	1.9
219.13779	4.3
221.13374	4.3
221.15364	61.8
223.14816	5.3
225.12770	2.6
225.14587	11.7
225.16725	2.8
227.14384	2.5
227.17976	2.0
231.13843	3.7
233.13217	3.3
233.15405	10.2
234.14012	3.1
234.16106	14.9
235.14861	2.9
237.12733	4.7
237.16454	5.7
239.14403	2.5
239.18091	1.7
241.15758	1.9
246.13884	2.0
247.14806	2.7
247.16971	9.7
249.16350	3.7
251.18011	3.4
253.15900	3.2
257.19070	1.9
259.17081	2.5
269.19040	3.2
271.16934	4.4
273.18460	4.6
274.19379	2.9
279.17313	1.8
281.15549	1.8
281.18893	2.9
283.16840	1.9
285.18350	3.4
286.19339	7.3
287.20078	49.8
293.19016	3.3
297.18442	2.8
298.19336	1.9
299.20102	7.5
300.20895	3.2
303.19681	3.6
309.18610	2.4
311.20126	3.2
312.20807	3.8
313.21780	3.1
319.20636	2.5
325.21658	10.5
329.21198	6.5
337.21591	9.8
339.23160	6.0
352.23990	79.3
353.24686	5.1
365.24802	13.8
367.26346	4.1
395.25961	7.9
438.31110	2.2
446.30270	2.4
466.04193	1.4
472.31882	8.4
525.35858	7.9
538.36578	100.0
539.36743	4.2
603.40326	2.4
611.20453	1.8
618.42505	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23970	1.8
53.03942	6.0
55.01864	3.0
55.05303	2.0
55.05518	27.5
57.07085	13.1
59.04990	3.0
63.77232	2.2
65.03943	3.3
67.05509	18.8
69.03437	4.9
69.07084	11.8
69.26133	5.4
69.26543	17.2
71.04985	4.3
77.03927	2.8
79.05502	22.4
81.07072	32.1
83.04969	7.5
83.08627	39.2
85.06538	4.0
87.04481	47.3
91.05490	28.3
93.07053	42.0
95.04973	22.1
95.08617	32.5
96.08969	2.0
97.06528	10.3
98.21446	4.4
99.04445	3.3
103.05485	3.9
105.07040	66.5
107.04974	2.8
107.08606	41.3
109.06536	11.5
109.10162	15.0
111.08086	6.3
113.09657	3.0
117.07040	13.5
119.04940	8.1
119.07790	3.6
119.08589	55.3
120.09385	2.8
121.06517	8.0
121.10143	29.6
123.08086	17.3
123.11717	6.1
125.05989	2.6
125.09600	6.2
128.06198	5.9
129.07019	13.2
130.07779	5.0
131.08597	32.0
132.09351	3.9
133.06508	4.1
133.10144	31.6
134.10843	2.5
135.08089	13.7
135.11710	10.5
137.09648	10.8
139.07599	2.5
139.11153	5.3
141.06950	6.8
142.07808	16.8
143.08588	29.3
144.09370	12.0
145.06523	3.3
145.10152	45.9
147.04417	24.2
147.08055	16.6
147.11697	14.3
149.09619	13.1
151.07571	11.7
155.08580	9.6
155.10605	4.2
156.09341	10.2
157.10147	37.3
158.10876	7.3
159.08052	7.1
159.11702	25.8
160.08829	6.4
161.09630	8.0
161.11902	2.1
161.13258	8.7
163.11218	11.4
165.05478	5.4
165.06918	4.2
165.09145	27.0
167.08508	5.7
168.09341	3.9
169.10126	14.5
170.10927	6.6
171.11681	20.3
172.12439	7.1
173.09576	7.2
173.13240	12.6
175.11218	14.3
175.14833	7.9
177.09064	2.7
177.16425	4.6
179.08580	4.5
179.14235	2.1
181.10135	8.0
181.12230	14.2
182.10889	6.2
183.11678	14.7
184.12474	3.3
185.13252	12.6
187.11186	7.0
187.14847	6.0
189.12741	6.1
189.16376	6.1
190.13506	5.2
191.10684	3.5
191.14345	4.4
192.09526	2.5
193.10123	7.7
193.12262	10.5
194.10962	5.1
194.12759	2.1
195.11705	11.6
195.13625	3.6
196.12344	4.3
197.09642	3.6
197.13286	14.4
199.11215	4.9
199.14850	4.0
201.12743	5.0
201.16443	3.6
203.14360	12.9
203.17975	6.9
205.12244	2.3
207.11687	6.3
207.13818	7.9
208.12679	3.7
208.14584	13.9
209.13246	9.4
209.15199	3.1
211.11234	2.9
211.14841	9.7
213.12837	5.2
213.16411	4.6
215.14236	3.0
215.17929	4.1
217.12257	2.3
219.13853	4.2
221.13379	4.7
221.15376	55.1
222.13954	3.1
223.14961	5.7
225.12772	3.4
225.14621	13.0
225.16759	4.0
227.14345	3.3
231.13882	3.8
233.13210	2.8
233.15352	8.8
234.16211	15.0
235.14891	3.2
237.12685	5.4
237.16519	3.0
241.15785	2.4
247.16980	12.4
251.14149	3.1
253.15982	3.7
261.18640	4.5
265.15912	3.0
269.18927	2.3
271.16898	3.1
273.18546	5.2
283.23856	2.5
285.18555	2.9
286.19366	3.8
287.20056	43.1
297.18683	2.5
299.20108	13.2
303.19580	5.8
312.20670	2.5
313.21680	3.1
325.21756	11.8
329.21304	2.5
337.21671	10.6
339.23203	7.3
347.23709	2.5
352.24020	72.0
353.24667	2.7
365.24805	13.6
367.26447	4.1
391.26279	2.4
395.25766	6.9
437.34189	4.5
438.31351	2.6
446.30368	3.7
472.31747	7.4
498.32773	3.0
525.35498	11.9
538.36591	100.0
539.36987	2.8
559.23260	4.3
600.40808	2.8
618.42505	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33733	1.5
53.03953	3.7
55.05518	26.6
55.75925	1.5
57.07081	8.5
59.04995	2.5
65.03947	2.1
67.05524	13.4
69.03427	8.1
69.07069	6.0
69.61311	4.1
69.61738	6.2
71.04984	4.6
79.05512	18.8
81.07067	26.8
83.05005	8.3
83.08630	26.8
85.06551	8.1
87.04479	16.7
91.05487	26.9
93.07054	37.4
95.04988	16.1
95.08623	20.4
97.06543	14.2
99.04478	3.5
105.07048	51.0
106.07859	2.3
107.04951	2.9
107.08614	28.8
109.06528	12.3
109.10164	8.6
111.08084	3.6
113.09690	3.8
115.05472	2.6
117.07045	13.7
119.08599	49.2
120.09388	2.0
121.06513	7.0
121.10165	18.5
123.08083	17.9
123.11684	2.9
125.06015	3.6
125.09625	7.7
127.11212	2.0
128.06238	6.4
129.07037	15.6
130.07829	4.2
131.08591	34.6
131.09528	3.2
132.09384	3.9
133.06523	4.9
133.10168	25.4
135.08061	11.2
135.11650	7.5
136.08850	1.8
137.06055	1.8
137.09644	12.4
139.07588	3.5
139.11192	5.8
141.07059	4.3
142.07788	13.6
143.08586	27.4
144.09344	7.7
145.06500	3.5
145.10136	44.3
146.10957	2.1
147.08081	17.8
147.11711	9.4
149.09628	8.1
151.07529	9.4
151.11156	2.0
155.08594	9.7
155.10648	3.8
156.09387	10.0
157.10162	41.2
158.10953	8.9
159.08113	8.8
159.11736	20.5
160.08855	10.7
161.09612	11.4
161.13278	5.3
162.10352	1.5
163.11243	9.8
165.07054	3.0
165.09143	25.4
165.12767	1.5
167.08618	5.5
168.09363	3.2
169.10167	14.9
170.10938	6.9
171.11690	17.5
172.08818	2.4
172.12486	6.1
173.09656	6.1
173.13319	10.0
175.11200	11.9
175.14853	2.0
176.12016	2.3
177.09160	2.8
179.08604	5.2
179.14331	2.9
180.09393	2.6
181.10152	8.6
181.12244	14.0
181.67485	1.5
182.10902	4.2
183.11726	18.6
183.13345	2.6
184.12508	2.4
185.09641	3.0
185.13304	13.2
187.11227	6.0
187.14876	3.2
189.12794	6.6
190.13562	8.2
191.10768	3.1
191.14346	6.0
193.10141	4.6
193.12288	7.4
194.10968	4.3
195.11774	11.1
196.12494	4.0
197.09660	2.9
197.13336	13.6
199.11066	3.5
199.14835	3.4
201.12764	3.7
203.14391	14.3
207.11736	6.3
207.13817	7.1
207.82799	1.8
208.12740	2.5
208.14600	13.6
209.13300	12.7
209.15147	2.9
211.11272	4.1
211.14891	8.5
213.12747	6.0
213.16367	2.3
215.14363	2.8
219.13869	4.0
220.12518	2.6
221.13361	4.4
221.15384	60.7
222.13988	3.2
223.14839	5.1
224.15669	3.1
225.12799	3.6
225.14882	11.7
225.16747	2.4
227.14445	2.0
231.13857	3.7
233.15407	10.4
234.16154	13.7
235.14938	3.6
237.12794	3.8
237.16397	4.0
241.15982	1.7
246.16129	2.4
247.14706	3.0
247.16960	11.7
249.16321	2.5
251.14319	1.9
251.18143	2.8
253.15895	2.7
259.16953	3.3
261.18652	3.1
267.17532	2.3
269.18945	3.0
271.16913	3.2
273.18457	2.9
274.19287	2.3
281.15521	1.7
285.18518	1.7
286.19504	8.6
287.20111	46.9
297.18478	5.2
299.20151	13.6
300.20746	2.5
302.51376	1.6
303.19525	3.3
311.20148	3.4
312.20929	3.7
313.21716	3.2
319.20694	2.3
325.21573	12.4
329.20923	3.2
337.21622	8.2
339.23193	6.6
352.24002	76.4
353.24551	6.1
365.24911	14.0
367.26111	2.4
391.26236	1.6
395.25879	9.2
431.28784	1.7
438.31317	4.0
472.31894	5.9
480.31897	2.0
520.34912	2.5
525.35834	11.5
526.35590	1.9
538.36615	100.0
539.36768	2.7
600.41992	2.3
603.40295	2.7
618.42786	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	618.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.0
55.01876	6.3
55.05511	7.7
57.07058	3.3
65.03942	3.8
67.05514	18.0
69.03443	6.0
69.07059	9.3
70.22946	2.8
70.97343	9.5
79.05505	19.6
81.07049	28.5
83.05008	5.1
85.02912	3.2
86.09689	9.3
87.00801	4.0
91.05485	24.1
93.07050	30.7
95.04977	5.6
95.08613	33.4
96.13261	3.5
97.06520	13.8
99.41043	3.3
103.05476	3.8
105.07039	94.3
107.08593	33.8
109.06534	8.9
109.10175	16.9
111.08062	5.6
115.05444	5.0
115.07590	7.0
117.01965	3.4
117.07016	16.5
119.08582	78.2
121.06525	36.5
121.10126	25.4
123.08059	9.4
128.06264	4.1
129.07013	11.1
130.07808	5.2
131.08572	62.8
133.10117	45.9
135.08070	28.1
135.11740	9.6
136.08415	3.4
137.06017	4.2
137.09589	4.9
141.07013	5.5
142.07797	14.1
143.08554	34.6
144.09343	7.6
145.10124	100.0
147.08044	13.4
147.11711	39.4
149.02411	8.0
149.09625	5.1
149.13232	9.5
151.07542	8.6
155.07336	3.9
155.08530	20.0
156.09355	12.5
157.10124	66.3
158.10829	4.1
159.08124	6.9
159.11697	85.7
161.09634	22.6
161.13266	26.2
163.03847	3.2
163.11179	11.8
163.14819	10.6
165.09061	3.5
167.08557	6.0
168.09338	7.1
169.10133	22.7
170.10901	17.5
171.11714	41.6
173.09686	4.9
173.13266	71.9
175.11197	8.6
175.14830	18.7
176.11673	3.8
177.12769	7.0
181.10115	11.8
182.10910	7.5
183.11697	76.8
184.07365	18.9
185.13277	81.9
187.11160	8.1
187.14833	55.1
189.12743	18.3
191.14349	39.9
193.04974	11.4
195.11728	9.4
197.13268	52.8
199.11226	4.2
199.14841	43.7
201.12775	34.1
201.16454	16.0
203.14311	30.4
205.12343	6.0
205.15894	5.2
209.13271	7.0
211.11148	4.5
211.14784	9.4
213.12697	7.2
213.16394	3.6
215.14308	23.7
217.15903	11.4
219.13724	4.3
219.17439	4.7
221.13251	4.9
223.14900	8.1
225.12727	4.1
225.16435	4.6
227.14362	5.4
229.12129	5.0
229.15875	6.2
231.13812	12.0
235.13370	8.6
237.07594	4.1
241.15895	4.4
243.13631	5.2
245.15381	7.7
247.13271	8.0
251.18073	4.4
259.81055	3.3
261.14917	4.2
293.19275	3.9
307.15500	8.1
319.15262	4.9
339.14383	4.9
341.06607	4.0
365.15900	5.4
385.08963	5.4
387.26840	11.3
389.28378	15.4
391.30481	4.2
401.06543	3.2
405.28006	16.4
407.29575	10.1
409.27734	7.1
415.26138	9.3
417.27823	6.3
429.11542	17.6
433.27405	61.0
435.28854	19.5
451.28488	89.5
461.26743	6.0
479.27939	18.6
497.29013	79.0
509.29047	7.8
537.28369	12.6
555.29706	31.4
583.28802	8.7
601.30603	7.8
618.37659	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	617.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01866	0.9
55.05508	0.9
56.17673	0.2
56.84388	0.2
57.03439	2.2
59.04996	0.4
60.05308	0.2
61.02932	2.4
65.03944	0.3
67.05502	2.0
69.03435	10.6
69.03812	0.5
69.07074	1.3
71.01347	0.3
71.04990	1.2
71.59010	0.3
73.02920	2.4
79.05502	2.8
81.03427	3.1
81.07063	2.9
82.92284	0.2
83.04955	0.5
83.08619	0.6
85.02911	13.4
87.04482	2.5
89.03896	0.3
91.03963	0.8
91.05479	2.8
93.07056	3.3
95.04964	0.9
95.08046	0.4
95.08614	3.9
96.05307	0.2
97.02898	6.4
97.06535	0.8
97.10164	0.3
99.04482	1.6
101.02402	0.4
103.05449	0.4
105.07038	4.9
107.04973	0.7
107.08614	4.8
109.02874	2.2
109.06529	1.1
109.10163	1.9
111.08070	0.6
115.05450	0.3
117.03352	0.3
117.07018	1.3
119.04890	0.3
119.08585	6.4
119.56435	0.2
121.05762	0.2
121.06534	1.1
121.10155	2.7
123.08088	0.7
123.11722	0.9
125.09621	0.6
127.03918	2.8
128.06209	0.5
129.07033	0.8
130.07758	0.4
131.04930	0.7
131.08588	4.3
133.06508	1.2
133.10143	4.7
135.04390	0.6
135.08054	1.4
135.11725	1.2
137.09653	0.6
141.07016	0.3
142.07855	0.6
143.08563	1.8
144.05687	0.3
144.09233	0.3
145.04971	0.8
145.06535	1.7
145.10132	5.6
145.11278	0.3
146.06152	0.3
147.04453	0.3
147.08102	1.2
147.11671	2.4
149.09645	1.0
149.13304	0.6
155.08575	1.0
156.09373	0.8
157.06540	0.4
157.10130	2.6
158.07315	0.7
158.10909	0.6
159.08064	3.6
159.11720	2.5
160.08902	0.4
161.09641	2.7
161.13258	1.3
163.03909	1.4
163.11221	0.7
169.10101	1.5
170.10995	0.5
171.08076	0.8
171.11655	1.5
172.08853	1.5
173.09641	6.7
173.13261	3.0
175.11197	2.3
175.14876	0.8
181.10106	0.6
182.11000	0.4
183.11742	1.2
185.09656	1.2
185.13289	1.2
186.10432	1.8
187.11189	3.5
187.14786	1.9
188.11917	0.3
189.12784	1.0
189.16405	0.4
191.14314	0.3
193.10162	0.4
195.11682	0.5
196.12544	0.4
197.09718	0.3
197.13287	1.1
199.11180	2.7
199.14883	1.1
201.12755	9.8
201.16438	0.5
203.14331	4.1
203.17987	0.4
205.15907	0.3
206.10977	0.3
207.11774	0.6
209.13364	0.7
211.11136	0.3
211.14896	0.8
213.12782	0.8
213.16435	0.8
215.14331	6.5
215.16295	0.4
215.17947	0.3
217.15926	0.8
221.13322	0.3
223.14914	0.9
225.12682	0.4
225.16423	0.5
227.14314	1.2
229.15930	0.5
231.17540	0.4
235.14857	0.4
237.16248	0.4
239.14256	0.5
239.18040	0.2
241.15979	1.0
247.17104	0.5
251.17992	0.2
253.15927	0.7
255.17508	0.9
265.15973	0.3
269.19028	0.5
295.20621	0.3
323.79706	0.2
354.94650	0.2
375.26883	0.4
389.28690	0.3
393.28036	0.4
394.24875	0.3
419.29556	1.1
437.30487	2.4
455.31488	2.3
556.31024	0.3
574.27820	0.3
617.36853	100.0
618.37152	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	617.3691
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
53.03939	1.5
55.01859	0.7
55.05516	1.1
57.03439	2.3
57.07075	0.6
59.05008	0.5
61.02922	2.9
65.03931	0.3
67.05519	1.5
69.03432	10.0
69.07062	0.9
69.47233	1.6
69.47643	0.7
71.01373	0.4
71.04986	1.1
73.02918	2.2
74.15330	0.3
79.05490	2.6
81.03429	2.8
81.07065	2.6
83.01331	0.5
83.04980	0.6
85.02909	13.6
87.04482	2.4
89.03899	0.5
91.03951	0.8
91.05476	2.7
93.07067	2.6
95.04986	1.1
95.08599	3.4
97.02898	5.5
97.06548	0.9
99.04440	1.6
101.02412	0.7
103.05488	0.6
105.07039	4.7
107.04992	0.6
107.08602	4.9
109.02894	2.3
109.06549	0.7
109.10158	2.2
111.08091	0.6
115.05460	0.8
117.07041	1.2
119.08588	5.6
121.06500	0.9
121.10170	2.6
123.08097	0.8
123.11713	0.7
125.09636	0.5
127.03931	3.1
128.06229	0.5
128.32083	0.3
129.07027	1.0
131.04916	1.5
131.08577	4.4
133.06496	1.5
133.10147	4.1
135.04445	0.9
135.08069	1.3
135.11717	1.4
137.09596	0.5
141.06964	0.5
142.07790	0.7
143.08530	1.6
145.02794	0.5
145.04994	1.0
145.06506	1.6
145.10135	5.3
146.07343	0.4
147.04425	0.5
147.08066	1.3
147.11687	1.8
148.07619	0.5
149.09663	1.1
149.13266	0.6
155.08604	0.6
156.09448	0.7
157.06529	0.4
157.10121	2.8
158.07303	0.7
158.10838	0.4
159.08060	3.9
159.11694	2.4
160.08798	0.5
161.09621	1.9
161.13304	0.9
163.03893	3.6
163.11226	0.6
167.08594	0.4
168.09323	0.3
169.10156	1.1
171.08064	0.8
171.11691	2.3
172.08807	1.6
173.09645	5.9
173.13219	2.8
175.11238	1.9
175.14886	0.6
181.10121	0.4
183.11687	1.7
185.09644	1.2
185.13239	1.7
186.10410	1.6
187.11180	3.2
187.14821	2.3
189.12802	0.9
191.14299	0.5
193.10179	0.5
195.11694	0.4
197.09695	0.5
197.13281	0.9
198.10439	0.3
199.11209	3.4
199.14847	1.2
201.12747	10.2
201.16356	0.6
203.14316	3.8
203.17986	0.5
208.12605	0.3
208.81306	0.3
209.13240	0.6
211.14851	0.7
213.12735	0.8
213.16415	0.8
215.14333	7.1
217.15918	1.1
221.13431	0.4
223.07661	0.5
223.14836	0.3
225.12668	0.4
225.16460	0.4
227.14377	1.0
227.18028	0.4
229.15843	0.7
231.17606	0.6
241.15967	0.8
241.19638	0.4
245.83727	0.3
251.14400	0.5
251.18022	0.4
253.16026	0.4
255.17493	0.9
261.68854	0.4
265.16083	0.3
267.17682	0.5
269.19199	0.4
295.06085	0.7
295.20654	0.4
346.52618	0.4
375.27103	0.4
378.47357	0.4
401.28476	0.7
411.25287	0.4
419.29562	1.1
423.05219	0.3
437.30579	1.7
455.31461	2.1
474.66171	0.4
608.57660	0.3
617.36841	100.0
618.37140	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	617.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05502	2.5
57.03440	2.3
57.07051	0.5
59.05007	0.7
62.93376	0.5
65.03928	0.7
67.05518	4.0
69.03427	2.7
69.07063	2.5
70.78574	1.2
71.01360	0.8
73.02919	1.3
79.05508	3.9
81.03410	0.7
81.07066	7.5
83.04991	1.5
83.08633	1.8
85.02911	5.9
87.04474	0.9
89.48487	0.5
91.05488	6.2
93.07050	7.7
95.04977	1.2
95.08617	9.2
97.02901	10.4
97.06553	1.4
101.02395	1.3
103.53928	0.5
105.07037	10.2
107.04977	2.2
107.08598	10.6
108.56482	0.5
109.06503	1.2
109.10169	5.8
113.02387	1.9
115.03936	2.5
115.05463	1.2
117.07018	1.4
119.04961	0.6
119.08589	11.0
121.06504	2.7
121.10141	4.6
123.08092	1.2
123.11726	1.7
125.09607	1.1
127.03967	1.1
128.06229	0.6
129.07011	1.5
130.75752	0.5
131.08562	5.3
133.06512	6.9
133.10141	7.6
135.08066	38.0
135.11717	2.2
137.09697	1.3
142.07796	1.3
143.03424	0.9
143.08585	2.9
145.06461	0.9
145.10124	7.6
146.07246	0.5
147.04434	2.7
147.08028	7.3
147.11687	5.5
149.09636	4.4
149.13277	1.4
151.11217	1.3
155.08568	1.0
156.09413	1.4
157.10143	3.7
158.10904	0.6
159.08072	3.0
159.11691	4.9
160.08812	0.8
161.04492	0.9
161.09628	14.2
161.10933	0.9
161.13246	2.9
163.11252	1.2
168.09358	0.8
168.28294	0.5
169.10158	1.9
171.08109	1.1
171.11699	3.2
173.09692	2.1
173.13318	3.7
174.10410	0.9
174.26027	0.5
175.11206	10.1
175.14778	2.5
177.12811	1.8
178.79105	0.5
183.11719	2.2
185.09624	1.2
185.13261	2.6
187.11172	1.3
187.14827	2.1
188.11913	0.8
189.12764	4.4
189.16339	2.2
191.14392	0.6
195.11777	1.0
197.13280	1.6
199.11235	1.6
199.14879	1.5
201.12729	3.7
201.16382	1.3
203.14336	27.0
203.18105	1.1
205.15906	1.5
211.14873	0.6
213.12862	0.9
213.16379	2.3
215.14348	2.4
215.18011	0.8
216.54982	0.5
217.15894	9.9
219.17503	0.6
223.14871	0.8
225.12892	0.9
225.16251	0.5
227.14380	1.3
229.15936	1.9
231.17403	3.7
241.19594	0.7
243.17534	1.4
255.17508	1.7
257.19150	0.6
263.55197	0.6
297.22226	0.6
324.87695	0.5
403.29984	1.6
421.31012	4.4
422.31348	0.6
439.32111	1.3
449.30533	1.0
457.33200	7.6
467.31708	1.2
485.32721	1.4
599.36670	0.6
617.36859	100.0
618.37524	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	617.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
67.05509	0.6
69.07082	0.8
71.59026	0.8
76.76600	0.6
79.05508	1.0
81.03424	0.7
81.07069	1.9
88.81525	0.5
89.16597	0.6
91.05486	0.9
93.07032	0.6
95.08595	0.9
97.06519	0.5
109.10134	0.9
121.06518	0.5
122.09715	0.9
125.11580	0.6
131.04930	0.8
135.04395	3.1
147.04507	0.6
163.03952	1.1
165.09198	2.3
169.03130	0.7
203.05330	0.9
245.06287	4.3
271.04422	0.9
289.05212	3.6
321.26556	1.0
339.27631	0.7
351.28699	2.8
355.11783	1.8
369.29761	6.6
411.30200	0.8
483.32330	0.7
489.55557	0.7
513.33594	2.0
531.34949	7.2
555.35089	1.9
573.36096	15.9
599.34039	8.0
617.35132	100.0
618.35278	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	617.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	1.3
55.01828	0.9
55.02087	0.3
55.05468	2.4
57.03392	2.3
57.59708	0.3
59.04967	0.5
61.02876	2.9
65.03905	0.5
67.05511	2.6
67.74203	0.3
68.94867	0.3
69.03438	11.9
69.03781	0.6
69.07011	1.9
70.21056	0.8
70.21455	0.7
71.01314	0.6
71.04998	1.6
73.02929	2.1
79.05487	3.5
81.03429	4.1
81.07067	6.0
83.04923	1.1
83.08574	0.9
85.02914	17.1
85.06493	0.4
87.04411	1.5
91.03910	0.7
91.05495	4.5
93.07056	6.1
95.04907	1.1
95.08617	6.8
97.02901	6.7
97.06522	0.8
97.10113	0.6
97.34228	0.4
97.34830	0.4
98.21449	0.4
99.04473	2.2
101.02318	0.5
105.07040	9.4
107.04898	0.7
107.08608	10.1
107.09284	0.5
109.02905	2.2
109.06467	1.0
109.10179	4.2
111.08045	0.8
115.03906	0.5
115.05393	0.7
117.07072	1.9
119.04915	0.3
119.08594	10.1
121.06494	1.7
121.10160	5.5
123.07998	1.0
123.11646	1.3
123.93542	0.4
125.09675	2.8
127.03915	2.8
128.06181	1.0
129.07051	1.7
131.07608	0.3
131.08582	5.7
133.06522	2.5
133.10143	7.0
135.08073	2.5
135.11705	2.4
137.09528	1.0
137.13312	0.4
141.06918	0.6
142.07704	1.5
143.08594	2.4
144.05630	0.4
144.09286	0.4
145.04930	0.8
145.06474	2.4
145.10141	8.3
147.04367	0.3
147.08081	2.0
147.11702	4.6
149.09621	2.1
149.13203	1.0
151.11174	0.6
153.06947	0.3
154.07668	0.3
155.08557	1.9
156.09396	2.0
157.10158	5.5
158.07257	1.1
158.10852	0.9
159.08058	5.2
159.10481	0.3
159.11697	5.9
160.08818	0.6
161.09639	2.8
161.13326	1.8
163.03864	0.9
163.11115	1.0
163.14761	0.6
165.12706	0.4
166.07680	0.4
167.08533	0.5
168.09286	0.3
169.10150	2.6
170.10942	0.9
171.08018	1.9
171.11697	4.1
172.08871	2.6
173.08308	0.5
173.09654	7.2
173.13284	4.0
174.10403	0.4
175.11180	2.6
175.14812	2.2
177.12674	0.5
177.16348	0.8
179.08498	0.6
181.10051	0.4
183.08066	0.4
183.11703	2.9
184.08752	1.0
185.09662	3.0
185.13251	2.6
186.10463	2.4
187.11215	4.6
187.12909	0.4
187.13240	0.4
187.14824	4.1
189.12724	1.0
189.16359	0.6
191.14261	0.8
193.10141	0.8
195.08195	0.4
195.11591	0.9
196.12614	0.4
197.09528	1.1
197.13232	1.6
198.10358	1.0
199.11206	13.8
199.14786	2.1
200.11526	0.5
201.12769	17.4
201.16359	1.1
203.14342	7.3
203.17941	0.7
205.15854	1.3
207.11702	0.8
208.12434	0.6
209.13206	1.4
210.10399	0.4
210.14146	0.5
211.11159	1.5
211.14784	1.3
213.12782	3.1
213.16376	1.8
215.12248	0.5
215.14331	7.7
215.17911	0.9
217.15878	1.6
221.13173	1.1
221.15283	0.4
223.11162	0.6
223.14812	1.5
225.12782	1.6
225.16345	1.0
227.14340	7.3
227.17822	0.8
229.15834	1.2
231.17416	0.8
235.11212	0.4
235.14659	0.5
237.12657	0.8
237.16338	0.6
239.14293	1.6
239.17940	0.7
241.15875	2.2
247.16957	0.4
249.16309	0.5
251.14232	0.7
251.18100	0.7
253.15813	1.4
253.19521	0.4
255.17497	2.2
263.18030	0.5
265.15863	0.8
267.17407	1.5
269.18970	1.2
270.14258	0.4
279.17432	0.4
281.19037	1.6
283.20615	0.6
289.62488	0.3
291.17093	0.4
293.18994	0.9
295.20612	2.1
305.19061	0.5
307.20532	0.6
309.22226	1.1
321.22296	0.5
335.23456	0.4
345.22211	0.4
363.23322	0.6
366.94226	0.4
383.27588	0.5
389.28384	0.5
401.28470	4.0
419.29520	13.4
420.29758	0.7
421.31113	0.5
437.30521	4.6
455.31610	100.0
456.32013	3.1
544.81818	0.3
617.36884	20.1
618.37256	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	616.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74365	0.7
53.03942	1.9
55.01862	2.8
59.15579	0.8
61.26124	0.7
62.13282	0.8
65.03934	3.2
66.38680	0.8
67.05515	0.8
69.03432	1.0
70.06584	1.2
70.86038	1.6
72.08167	1.1
75.04469	2.7
78.04695	2.5
79.05482	2.4
81.03421	1.5
85.02908	4.9
88.11495	0.8
89.03922	1.8
89.06035	0.8
91.05483	11.7
93.03423	10.1
93.07040	6.0
95.04942	4.4
97.02926	0.8
97.06509	2.0
103.05479	7.4
105.07034	9.0
106.04185	25.7
107.04958	2.9
111.64571	0.7
115.05462	2.0
117.03439	0.8
118.04166	1.6
118.12379	0.7
119.04890	0.9
121.02884	3.1
121.05652	1.4
121.06522	25.7
123.04445	1.1
125.06025	7.3
127.03907	1.7
131.04922	3.1
133.06511	10.1
134.03691	3.6
134.04501	0.8
135.04419	1.3
136.07578	0.9
137.05997	3.4
138.06754	0.9
139.07526	2.9
145.02843	2.1
145.04932	0.9
148.05202	2.6
149.05998	43.4
151.03857	1.1
151.07562	2.5
153.05450	0.9
153.09117	10.4
156.49303	0.7
158.58977	0.7
161.05995	21.8
163.03865	1.2
163.07545	3.6
166.06250	1.3
167.07108	2.3
176.35680	0.9
177.05487	22.4
181.07062	1.4
181.08607	19.2
191.07039	22.1
193.08620	23.5
195.06439	1.0
209.08107	100.0
210.08328	1.0
293.08951	0.9
346.33514	0.7
387.14404	2.0
403.93362	0.9
525.56030	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	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01868	3.5
61.02929	1.4
61.03232	1.0
65.03934	4.5
67.05491	1.6
69.03415	1.7
71.59465	1.8
75.04496	3.6
78.04715	3.4
79.05498	4.5
81.03430	3.2
85.02905	6.7
89.03921	2.0
91.05492	13.5
93.03421	14.1
93.07048	7.2
95.04971	5.9
95.82042	0.9
97.02912	2.0
97.06542	3.0
100.57044	0.9
103.05467	10.3
105.07045	19.6
106.04182	30.1
107.04965	3.4
109.06467	1.4
111.04488	1.0
115.05460	2.1
117.03387	1.3
117.07022	9.0
118.04162	2.3
119.04981	1.7
119.27106	1.0
121.06519	34.1
123.04464	1.0
125.06004	8.3
127.03931	1.3
131.04961	3.9
131.08536	1.1
133.06499	18.0
134.03633	3.4
135.04535	1.2
135.08061	1.6
137.05975	5.7
138.06792	1.4
139.07565	2.4
143.04915	1.2
145.02876	3.5
147.04408	1.6
148.05199	2.6
149.05992	51.6
151.07552	2.7
153.05492	2.2
153.09128	12.8
161.05989	35.8
163.04007	1.4
163.07576	5.3
165.05487	1.6
166.06270	1.3
167.07053	2.1
177.05490	30.4
177.09077	2.3
181.08614	21.4
182.09343	1.1
191.07031	14.0
193.08626	31.3
193.10286	2.1
195.10214	2.0
198.10440	1.1
209.08102	100.0
222.45122	1.0
241.10738	2.8
287.05450	5.0
288.05807	4.2
327.12115	1.0
369.13443	1.4
387.14474	2.0
454.08548	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	615.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.05513	15.2
57.03432	3.4
57.07075	4.8
57.23571	0.9
62.04648	1.0
65.03954	1.7
67.05511	45.9
68.05838	1.2
69.07074	19.9
71.08633	1.5
73.22337	1.0
79.05497	22.3
81.07062	46.2
82.07391	3.5
83.04971	1.2
83.08611	9.5
85.06573	1.4
85.89013	1.0
91.05492	19.1
93.07049	31.0
94.07357	2.4
95.05004	2.6
95.08609	39.2
96.08954	2.2
97.06541	3.0
97.10153	7.1
99.08137	1.8
105.07037	20.1
107.08598	22.3
109.06533	1.3
109.10161	20.5
111.08121	1.0
111.11704	1.2
117.07025	4.6
119.08591	20.9
121.10146	19.0
121.79222	1.2
123.11704	7.7
125.09753	1.6
129.07028	2.3
131.08572	13.2
133.08589	1.2
133.10124	15.5
134.10425	1.2
135.08067	1.5
135.11694	11.1
137.13290	2.9
143.08536	3.1
145.10129	12.3
147.11714	10.9
149.13268	8.5
151.14828	1.7
157.10168	4.2
159.11684	7.5
161.13289	6.8
162.13817	1.5
163.11253	1.1
163.14824	3.5
165.16409	1.8
169.79395	1.1
171.11696	3.8
172.12276	1.0
173.13264	5.7
175.14902	3.8
177.16432	3.3
183.11674	1.8
185.13283	2.0
187.14830	4.4
189.16393	2.9
199.14914	1.5
201.16486	2.4
203.17981	1.7
213.16455	1.9
217.19476	1.5
219.21083	1.3
243.21130	2.7
257.18964	1.2
259.20688	4.7
261.22202	9.7
263.23508	1.3
287.23581	1.6
317.24689	1.8
333.24301	2.1
335.25821	8.1
336.26245	1.7
337.27417	9.5
339.28909	2.7
357.31628	1.2
517.38599	1.9
523.45020	6.0
541.46155	3.1
545.41962	1.5
597.48816	11.2
615.49756	100.0
616.50427	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	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50515	0.8
53.03952	2.5
55.01878	1.1
55.05257	1.4
55.05518	21.1
55.08998	0.8
57.03443	5.9
57.07084	5.6
59.04937	0.8
63.30328	1.0
65.03930	2.7
66.04707	1.0
67.05509	53.7
69.06716	1.6
69.07076	25.1
69.37038	2.3
69.37440	6.4
71.04988	2.3
71.08644	4.4
73.06548	0.9
79.05503	29.1
79.39149	0.8
81.07065	59.8
83.04981	2.5
83.08627	13.5
84.54297	0.8
85.06537	2.0
91.05489	23.9
93.07055	41.9
95.04972	3.6
95.08615	47.4
95.98197	0.9
97.06521	4.6
97.10186	8.2
99.08093	1.4
105.04535	0.9
105.07043	25.3
107.08603	25.3
109.06502	2.0
109.10158	25.1
111.08106	1.9
111.11709	2.4
113.09631	0.8
117.07022	6.9
119.08594	25.8
121.10155	22.4
123.08086	1.7
123.11728	9.0
125.09666	2.0
129.07039	3.4
131.08572	14.3
133.08635	1.1
133.10144	19.6
135.11707	14.2
137.13289	3.1
143.08568	3.9
145.10130	14.5
147.11703	13.8
149.13290	9.7
151.14857	2.7
153.12741	1.2
155.08548	1.1
156.66995	0.9
157.10130	4.2
159.11694	12.7
161.09595	1.3
161.13272	9.4
163.14842	4.9
165.16403	1.1
169.10034	1.5
171.11734	3.8
173.13248	6.9
175.14825	4.9
177.16423	3.2
183.11871	1.5
185.13269	3.4
187.14839	5.5
189.16444	2.5
191.17952	2.1
193.19659	1.0
199.14856	3.4
201.16440	2.1
203.18048	1.4
205.19463	1.2
213.16580	2.0
215.18048	2.1
217.19745	1.2
219.17499	0.8
219.21086	1.9
226.22021	0.8
227.16306	1.3
229.19571	1.4
231.21124	1.5
233.22617	1.3
234.82182	0.9
239.18001	1.0
241.19565	2.4
243.21194	3.1
245.22754	1.4
247.24229	1.3
257.22766	0.8
259.20682	4.8
261.22162	11.2
263.23831	2.4
275.20093	1.1
287.23596	1.9
289.25528	1.4
299.23758	1.1
301.25217	1.0
315.23410	1.0
317.24847	1.5
325.27600	1.0
333.24350	2.6
335.25806	10.7
337.27402	14.4
339.29068	4.7
345.15973	0.8
351.29224	1.3
357.31619	1.9
363.29108	0.9
369.75009	0.8
505.44339	1.5
517.38940	1.4
523.45148	6.4
531.40759	1.3
541.46338	4.3
551.08563	1.1
597.48828	12.8
615.49872	100.0
616.50165	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	614.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
60.12413	0.5
65.03930	1.4
71.59284	0.5
72.08126	0.9
81.03429	4.5
81.07013	0.7
85.02894	2.7
87.00846	0.8
91.05485	13.0
97.02869	0.9
99.04440	0.7
103.75974	0.5
107.08598	0.6
109.02878	2.3
116.04971	1.7
119.04958	23.7
119.08603	0.8
127.03936	7.5
142.76831	0.5
147.04422	100.0
148.04822	1.0
163.03951	1.5
192.34531	0.6
193.93341	0.5
203.36031	0.5
297.12515	0.6
348.30853	0.7
377.09042	1.0
481.09821	10.2
488.11929	0.6
529.29181	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	614.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
55.05513	31.1
57.03122	2.9
57.03439	17.3
57.07075	10.8
64.54966	3.0
67.05511	71.9
68.05849	4.7
69.03428	6.4
69.07081	28.1
71.00294	6.7
71.00635	5.1
71.08624	3.9
79.05504	37.1
79.28407	3.4
81.03421	62.6
81.07061	68.9
82.55878	2.9
83.04985	8.7
83.08617	30.4
84.50284	3.9
85.06553	7.7
89.06031	28.0
91.05488	43.4
93.07049	34.5
94.07391	5.5
95.04976	33.7
95.08617	50.6
97.06559	4.4
97.10192	8.8
105.07062	37.5
107.04927	4.8
107.08603	30.2
109.06492	6.9
109.10145	20.8
111.08112	6.1
117.07030	7.4
118.89798	2.9
119.08595	35.3
121.06559	5.2
121.10128	15.9
123.08092	6.2
123.11742	6.6
125.09684	3.8
129.07007	15.1
131.08586	14.8
132.08897	3.8
133.06505	3.6
133.08614	18.6
133.10136	19.2
134.10498	3.6
135.08020	6.3
135.11671	9.4
137.09633	4.6
142.07806	3.9
143.08554	12.9
145.10153	18.6
146.10545	5.4
147.08072	7.9
147.11736	16.8
149.09653	8.1
149.13295	4.2
157.10138	19.5
159.11703	12.6
161.13297	6.7
163.14874	3.9
169.10103	4.8
171.11726	5.7
175.11203	9.9
177.11264	6.9
181.12218	4.1
185.13348	4.3
193.12228	19.9
197.13377	4.4
199.11264	3.4
199.14803	3.9
221.15370	5.4
263.23895	4.8
267.15930	100.0
337.27365	78.8
338.27783	5.1
399.39783	4.0
415.25372	7.0
455.35254	5.3
473.36038	3.9
529.38916	68.1
547.40076	22.6
614.39484	7.9
614.48456	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	614.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31710	0.6
52.87223	0.6
53.03950	1.5
55.05502	0.7
60.16709	0.5
65.03928	1.3
70.06584	0.8
70.81384	1.6
72.08159	1.1
79.05527	0.6
81.03423	5.4
85.02897	2.7
87.00825	0.8
91.05483	10.9
93.07058	0.9
97.02898	0.7
99.04472	1.7
107.08621	0.8
109.02869	2.4
116.04977	2.2
119.04094	1.2
119.04951	25.5
127.03921	6.7
147.04416	100.0
153.38788	0.6
163.03918	1.4
253.13222	0.7
254.11531	0.6
347.30884	0.8
348.30896	0.8
399.31741	0.7
481.09866	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03939	3.6
55.01864	1.6
55.05263	1.9
55.05512	23.1
57.03434	6.4
57.07080	5.8
61.69025	1.2
65.03935	3.6
65.16644	1.0
67.05508	65.2
69.06714	2.0
69.07065	24.9
69.57590	1.1
70.89950	2.9
71.04980	2.9
71.08627	3.0
71.58657	1.0
73.04752	2.5
79.05492	35.1
81.07059	64.8
83.04955	1.7
83.08633	13.9
91.05447	31.3
92.05762	3.2
93.06463	2.4
93.07050	43.9
93.07630	2.5
95.04974	4.4
95.08610	45.8
97.06532	4.4
97.10155	6.0
99.08107	1.7
105.07033	35.9
107.08601	25.9
107.09296	2.3
107.40186	1.0
109.06521	1.8
109.10148	21.3
111.08066	3.3
111.11697	2.0
114.07360	1.2
115.05428	2.4
116.51715	1.0
117.07014	12.1
119.08588	35.0
121.10149	19.4
122.10506	1.2
123.08057	1.3
123.11712	9.9
125.09657	2.2
129.06995	6.4
130.07854	1.4
131.08572	25.0
133.10130	24.6
135.11697	15.7
137.05998	1.3
137.13304	2.3
138.30159	1.2
139.00410	1.1
142.07817	1.6
143.08597	10.7
145.10129	25.3
147.11708	20.7
149.13234	8.4
155.08580	3.4
156.09355	1.4
157.10173	7.6
159.11693	15.8
161.13249	14.8
163.14906	5.3
167.05640	1.4
169.10179	2.8
171.11734	8.4
173.13263	13.8
175.14825	7.7
181.10098	2.2
183.11752	3.2
185.13269	8.5
187.14819	6.4
189.16417	3.3
195.11639	1.2
197.13322	2.5
199.14919	3.4
201.16368	2.2
202.19702	1.2
203.18002	2.3
211.14793	1.9
213.16472	2.3
215.18011	2.9
217.19612	2.7
220.43616	1.0
225.16406	1.5
231.17574	1.9
231.21043	3.5
237.16335	1.4
239.18013	1.6
241.19644	9.8
243.21117	3.3
257.19012	3.0
257.22440	1.1
259.20578	19.5
259.23300	1.3
261.22247	7.9
263.23776	1.8
273.22043	1.8
301.05774	1.2
313.24985	1.1
315.23077	1.5
317.24698	1.7
333.24258	10.0
335.25781	9.1
337.27393	18.5
356.07288	2.4
357.07031	2.9
358.06918	3.7
489.36237	1.6
503.43307	1.7
521.43567	4.1
539.44611	3.3
595.47223	8.5
613.48260	100.0
614.48706	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03943	3.5
54.01048	1.1
55.05262	1.3
55.05513	17.6
57.03438	6.9
57.07074	2.6
59.04990	1.2
64.27499	1.1
65.03929	2.9
67.05509	56.7
69.07074	21.7
70.89493	1.9
71.04986	1.3
71.08620	2.0
79.05495	31.0
81.07063	60.1
83.04988	2.1
83.08624	10.7
85.06569	1.8
90.99676	0.9
91.05486	24.1
93.07046	42.0
95.04993	3.7
95.08610	50.4
97.06541	4.2
97.10162	6.7
99.08080	1.3
103.86395	0.9
105.07043	26.0
107.08594	29.3
109.06496	1.8
109.10156	24.6
111.08080	2.1
117.07012	10.1
119.08584	29.0
121.10150	16.9
123.08070	1.8
123.11718	11.0
125.09680	1.4
125.28777	1.0
128.06248	1.4
129.06998	5.4
131.08580	20.4
133.10143	22.1
135.11691	14.2
137.09689	1.2
137.13292	3.3
139.11192	1.3
141.06966	1.4
143.08575	6.5
145.10124	18.7
145.11134	1.5
147.11703	16.0
147.12775	1.4
149.13275	8.0
151.14809	1.1
155.08551	2.8
157.10164	6.7
159.11711	15.8
161.13283	10.9
163.11308	1.8
163.14867	5.3
167.77069	1.0
169.10188	1.9
171.11713	6.3
173.13246	11.8
175.14815	6.8
177.16327	1.3
183.11688	2.2
185.11894	1.5
185.13243	7.4
185.46176	1.0
187.14838	7.1
189.16380	2.7
195.11803	1.2
197.13251	2.3
199.14893	4.0
201.16466	2.9
203.17986	1.9
213.16521	3.0
215.17978	3.0
217.19656	1.8
223.14851	1.3
225.16478	2.3
227.18112	2.0
231.21143	1.4
239.18118	1.4
241.19600	4.5
243.21098	1.7
257.19052	1.4
259.20605	8.1
261.22150	8.9
263.23740	2.1
273.22318	1.3
277.21585	1.7
283.20453	1.1
299.23660	2.3
309.24429	1.3
315.23334	1.4
315.27005	1.3
317.24969	1.8
327.26755	1.4
333.24371	5.1
335.25873	14.4
337.27322	7.4
347.25992	1.2
355.29874	2.2
439.05801	1.4
489.36072	2.2
503.36539	1.5
517.39270	1.4
521.43530	5.9
539.44867	3.0
543.40717	2.1
595.47089	10.6
613.48279	100.0
614.48846	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	613.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01883	1.6
55.05244	0.9
55.05508	21.1
57.03441	6.2
57.07080	3.6
65.03939	1.7
67.05508	61.8
69.07069	21.4
71.04990	3.0
71.08636	1.6
79.05493	35.2
81.07059	67.3
82.70886	0.9
83.04990	2.0
83.08620	11.8
85.06544	2.4
91.05477	30.7
91.68708	0.9
93.07047	41.3
95.04957	4.2
95.08609	55.4
97.06542	3.5
97.10164	6.2
99.08115	2.0
105.07037	31.7
107.08600	29.2
109.06510	1.8
109.10161	25.7
109.10905	1.5
111.08077	1.6
117.07021	11.3
119.08580	29.8
121.10146	24.3
123.08078	1.2
123.11702	10.6
125.09668	2.2
128.06255	1.1
129.07008	5.3
131.08575	21.9
133.10130	23.1
135.11690	16.9
137.09662	1.3
137.13277	3.2
139.11108	1.1
141.06998	1.7
142.07893	1.4
143.08542	7.4
145.10133	22.2
147.11690	20.6
147.12784	1.8
149.09644	1.4
149.13254	10.8
151.14816	1.3
155.08507	3.0
157.10181	7.1
159.11694	13.4
161.13243	12.4
163.14888	4.1
169.10168	2.6
171.11722	8.7
173.13274	13.7
175.14793	5.8
175.76271	1.0
177.16417	2.6
179.14381	1.8
183.11720	2.8
185.13281	6.0
187.14845	8.9
189.16412	4.3
191.18053	1.8
197.13222	1.5
199.14798	5.1
201.16429	4.0
203.17952	2.4
209.13467	1.2
211.14880	2.2
213.16412	2.5
215.17996	2.4
217.19548	2.1
219.17834	0.9
225.16496	1.3
225.87582	0.9
226.80296	0.9
227.18170	1.9
229.19435	1.2
231.21237	1.1
241.19600	4.2
243.21162	3.5
253.19637	1.2
257.18939	1.0
259.20575	9.3
261.22119	9.5
263.23755	1.9
275.23679	1.0
277.21725	1.9
279.23257	1.2
285.22217	1.4
287.23599	1.5
291.23154	1.6
295.22910	1.2
299.23779	2.1
313.25214	1.6
317.24872	2.7
333.24283	5.6
335.25836	14.8
337.27371	10.3
341.28607	1.1
489.35507	1.2
503.36905	1.9
517.38824	1.6
521.43768	5.8
529.38751	1.5
539.44800	4.0
543.40692	1.4
595.47418	10.7
613.48273	100.0
614.48657	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	613.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.3
57.03430	3.2
57.07079	3.3
59.35868	1.2
67.05514	34.7
67.24385	1.7
68.97881	1.4
69.07070	14.3
69.65748	1.4
71.04980	2.1
71.08627	2.7
71.59525	1.6
79.05496	20.6
81.07059	33.2
83.02090	1.2
83.04983	1.8
83.08643	8.7
85.06549	2.2
91.05476	18.3
93.07052	26.5
95.04989	2.3
95.08617	23.1
97.06557	2.8
97.10176	3.8
105.07043	16.6
107.08598	16.3
109.10157	14.6
117.07035	9.4
118.39902	1.6
119.08594	17.3
121.10172	10.8
121.92833	1.6
123.11727	4.4
125.09679	1.7
129.07021	4.1
130.07828	1.5
131.08568	14.8
133.10153	13.0
135.11691	7.7
137.13286	2.1
141.12872	1.4
143.08565	7.7
145.10126	14.1
147.11671	8.5
149.13271	4.0
155.08633	2.3
156.09319	1.5
157.10086	7.1
158.33145	1.5
159.11700	12.2
160.82661	1.7
161.13316	7.6
163.14828	2.8
167.08434	1.3
169.10072	2.9
171.11722	5.8
173.13242	7.6
175.14847	4.2
179.14325	1.7
183.11771	1.9
185.13292	4.1
186.93422	1.4
187.14870	3.6
189.16400	2.2
195.11847	1.8
197.13297	2.2
199.14929	5.2
201.16409	3.5
203.17957	1.8
211.14879	1.9
215.18068	2.3
227.18065	3.0
243.21164	2.0
259.20596	5.1
261.22156	2.7
299.23666	2.3
335.25888	4.1
337.27399	2.0
475.14850	1.6
521.43500	5.4
539.44934	2.4
595.47015	8.1
613.48248	100.0
614.47925	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02402	1.0
53.03942	2.5
55.01872	1.3
55.05263	1.1
55.05516	16.1
57.03443	6.9
57.07071	3.5
62.67610	0.7
65.03930	2.4
67.05511	52.7
69.06715	1.6
69.07072	19.7
71.04996	2.0
71.08643	1.3
71.36851	1.6
79.05500	34.8
79.64703	0.8
81.07063	59.6
83.04987	2.1
83.08629	8.7
85.06535	2.3
91.05488	25.0
93.07051	36.6
95.04975	3.1
95.08614	49.8
97.06532	3.3
97.10175	4.5
99.08118	1.3
105.07039	24.3
107.08601	25.4
107.34238	0.8
109.06522	1.5
109.10162	23.7
111.08111	1.9
117.07025	10.1
119.08587	25.1
121.10150	20.1
123.11717	9.9
125.09638	1.3
128.06203	1.4
129.07005	5.2
131.08585	19.9
131.09520	1.5
133.10143	21.7
135.11702	15.4
137.09627	0.9
137.13264	3.9
139.11211	1.8
142.07817	0.9
143.08557	6.9
145.10132	16.5
147.11705	15.4
149.13261	8.7
151.14818	1.6
155.08585	2.5
157.10132	5.4
159.11699	16.4
161.09671	1.2
161.13248	10.3
161.44838	0.9
163.11171	0.7
163.14790	4.9
164.21791	0.7
165.16345	0.9
169.10167	2.6
170.06493	0.8
171.11707	7.5
173.13293	11.4
175.14784	5.1
177.16418	1.4
179.38588	1.0
183.11760	2.5
185.13319	4.5
187.14850	8.0
189.16415	3.2
191.18050	1.2
197.13264	1.8
199.14888	3.7
201.16423	3.8
203.18047	2.2
211.14867	1.3
213.16417	2.4
215.17953	2.0
217.19690	1.5
227.16191	1.0
227.18164	1.5
231.21205	1.5
237.11719	0.8
241.19705	3.7
243.21182	3.1
245.19060	1.0
245.22722	1.1
247.20575	0.9
259.20587	10.3
261.22156	11.9
263.23822	2.7
273.22073	1.1
277.21643	1.2
285.22287	1.6
287.23779	1.3
299.23734	1.8
301.25330	1.1
313.25299	1.1
315.23361	1.3
315.26843	1.2
317.24838	2.1
321.24225	1.4
327.26849	1.1
333.24261	6.7
335.25827	18.3
337.27417	11.2
341.24826	1.0
347.25977	1.0
349.27731	1.1
355.30295	1.9
361.27505	0.9
383.33542	0.9
429.33505	1.1
451.35965	0.9
489.35617	1.4
503.36252	1.3
503.42978	1.6
517.38617	1.4
521.43494	6.2
531.40356	1.2
539.44580	3.2
543.40631	2.5
595.47247	10.7
613.48291	100.0
614.48706	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	613.2284
Annotation	C11830
Peak:m/z	Relative Intensity
53.03938	0.6
55.01851	1.1
65.03941	2.7
67.05497	0.9
68.99741	0.4
69.03399	0.7
69.37679	0.4
70.06572	1.7
71.59106	0.6
78.04715	3.5
79.05479	1.6
82.04180	0.9
85.02915	2.1
86.09700	1.0
91.05481	5.3
93.03413	0.8
95.04947	1.4
97.02900	0.5
97.06509	1.0
103.05480	2.7
105.04427	0.4
105.07011	0.7
106.04166	1.7
107.04984	2.2
109.02898	1.0
110.03644	1.4
111.04424	1.0
115.05466	6.7
117.07030	9.2
119.04948	4.6
119.08594	0.5
121.02884	0.5
122.03644	0.9
123.04430	8.6
124.05222	3.6
125.05992	1.7
127.05429	1.2
131.04900	0.8
132.05641	0.7
133.02782	0.4
134.03629	0.4
135.04375	0.6
137.05984	5.7
138.03111	0.7
142.02612	1.4
143.04890	0.6
145.02855	0.4
145.06494	12.8
147.04416	5.4
147.08066	0.8
151.03908	1.8
151.07550	0.8
152.04716	1.8
153.05443	2.4
155.06042	4.9
161.05931	0.8
165.05452	0.7
167.07053	100.0
168.07404	1.1
171.06583	1.2
173.05992	21.6
175.07547	0.9
177.05554	0.7
179.07072	1.4
181.04971	32.4
187.03786	0.5
187.14317	0.4
189.00888	0.4
201.05453	0.8
203.07062	1.5
205.08606	6.2
207.06505	0.5
215.13922	0.5
221.08124	0.5
231.06535	0.6
233.08060	5.6
235.09688	5.2
265.08618	0.5
281.08188	0.4
293.08179	0.6
297.11191	0.6
310.08392	0.6
325.10709	0.7
326.11499	0.5
328.22314	0.5
342.10928	0.7
353.09769	0.6
357.13214	3.6
385.12833	22.3
386.13605	0.8
387.14426	6.4
411.14603	0.5
417.15439	13.6
578.47614	0.4
583.21637	3.4
613.22809	41.9
614.22894	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	612.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
53.62266	2.1
55.01876	2.2
55.05259	2.9
55.05514	30.5
55.53832	1.8
57.03442	10.4
57.07062	6.9
65.03942	4.7
67.05511	80.5
68.94752	2.0
69.03448	2.2
69.07069	26.6
69.85844	4.1
69.86124	12.1
70.07386	2.4
70.15709	2.1
70.73499	2.2
71.05009	4.9
72.77980	2.3
77.03954	2.6
79.05502	57.5
80.05832	6.1
81.03427	41.2
81.07062	83.5
82.07397	8.0
83.04998	8.2
83.08635	20.1
91.05485	49.9
92.05829	5.8
93.07049	65.1
94.07393	7.8
95.04980	19.6
95.08618	63.8
95.09239	4.2
96.08943	5.9
97.06547	6.4
97.10195	5.8
105.07045	45.5
106.07388	11.7
107.04961	2.9
107.08600	41.3
108.08960	6.8
109.06538	3.0
109.10165	25.3
111.08092	3.9
117.07029	14.8
119.08585	38.4
120.08932	10.3
121.06573	2.9
121.10159	24.8
122.10527	5.6
123.11723	6.5
125.09661	3.0
128.06241	4.3
129.07001	9.8
131.08580	31.2
132.08934	3.6
133.10143	27.8
134.10504	4.9
135.11652	15.6
136.12036	3.2
137.09619	2.8
137.13268	4.3
141.06995	2.9
142.07764	4.8
143.08580	7.8
144.09074	2.5
145.10141	25.0
146.10498	5.1
147.11685	19.7
148.12053	5.4
149.09688	5.2
149.13303	9.6
155.08582	7.6
156.09145	2.7
157.10129	16.2
158.10527	5.3
159.11705	19.6
160.12077	6.0
161.09785	2.6
161.13286	10.8
162.13649	4.8
163.14787	3.6
165.12808	3.2
169.10168	6.1
171.11746	13.2
172.12143	4.3
173.13243	13.7
174.13617	4.1
175.11238	3.8
175.14912	5.0
176.15295	2.6
179.14436	2.5
183.11809	5.3
185.13303	9.5
186.13666	5.1
187.14876	5.4
193.12314	7.7
197.13309	4.5
199.14888	4.7
201.16431	3.9
211.14870	3.7
212.15202	2.9
241.19530	6.9
242.20070	5.0
257.19092	6.2
258.19336	2.8
259.20691	8.8
260.21008	8.7
261.22107	13.6
267.15936	50.1
275.20242	2.9
301.25259	3.1
333.24387	4.6
334.24561	7.4
335.25858	51.3
336.26236	15.0
425.25461	2.6
435.32993	3.1
453.33939	4.7
479.23578	3.5
506.25790	2.6
520.42596	7.1
527.37335	27.2
534.24982	3.7
538.43616	4.1
545.38617	10.9
548.19867	2.2
594.26886	7.8
594.46637	10.9
612.28168	30.4
612.47125	100.0
612.57648	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	612.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83627	1.0
64.37321	1.2
67.05496	1.4
69.47921	7.6
69.48327	2.3
79.05495	2.3
82.06094	1.2
82.37787	1.3
89.03914	1.5
91.85400	1.1
93.07008	2.2
94.06565	7.8
96.08105	1.4
101.91756	1.2
103.05467	1.4
108.04478	11.2
108.08124	5.1
116.05013	9.9
120.04467	2.9
120.08121	11.3
122.06042	15.2
124.07605	8.3
134.05948	1.6
136.07591	11.3
144.04449	10.7
146.06009	12.7
148.07588	27.0
149.08061	1.7
150.05476	1.6
152.57852	1.2
156.07790	1.3
160.03961	4.0
162.05475	2.1
164.06999	1.1
166.08617	1.4
168.06592	8.0
172.03940	29.7
174.05539	10.2
186.05479	3.8
189.55655	1.3
190.05003	35.7
196.09970	1.3
204.06567	28.9
204.08450	1.7
206.08141	4.5
207.09227	1.8
208.09941	2.8
210.11549	1.5
211.12276	2.6
221.10780	1.8
223.12360	6.7
225.10213	2.1
226.10942	1.8
234.09227	2.2
234.11516	1.5
235.08586	2.3
236.09412	7.8
237.10117	2.4
238.10977	1.5
241.09801	1.5
249.10356	2.7
250.11052	4.5
251.11800	13.0
252.08652	8.6
253.09485	2.1
263.08130	2.6
264.08984	7.2
278.10611	8.0
279.11301	41.1
287.10315	1.4
292.08624	1.6
295.10645	2.8
296.11453	1.5
297.12323	5.3
299.10187	2.7
307.10764	55.6
313.11780	4.2
323.10339	8.3
325.11823	17.7
329.11319	3.1
339.09805	1.5
339.13431	5.4
341.11298	9.9
361.13229	1.7
367.12827	4.8
373.13779	5.9
383.12357	4.2
393.10434	1.5
397.55493	1.2
411.11893	100.0
429.12915	7.6
443.14337	1.8
448.18701	1.4
456.05313	1.3
476.18210	25.8
494.19363	9.4
508.20218	2.4
536.20068	4.1
538.18036	2.1
550.22095	1.8
562.18127	3.7
580.19244	58.8
594.20483	2.1
612.20813	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	612.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01884	1.3
55.05521	1.1
57.57788	0.9
67.05528	1.1
70.06609	0.9
70.75437	2.4
70.75787	1.0
79.05500	6.7
80.05014	2.1
82.06579	1.5
91.05466	4.2
93.07051	8.2
94.06575	2.1
95.04955	1.8
100.07604	1.1
103.05479	8.6
105.05794	1.5
105.07023	1.1
108.08120	3.5
110.09715	1.0
118.06563	3.1
119.04983	1.4
119.07336	1.7
120.08109	35.6
122.06072	1.9
128.07088	1.6
133.96553	0.8
136.07559	5.7
137.47543	0.9
138.09181	2.6
146.06033	2.1
147.04390	2.8
148.07581	100.0
149.07935	1.0
166.08611	4.3
167.07045	5.0
172.04021	1.1
173.05923	1.5
175.03928	1.1
181.04919	4.4
199.08600	5.4
200.09383	1.1
201.10152	1.0
204.06616	2.5
206.08133	2.1
207.06647	1.6
208.09790	1.9
211.08688	10.2
212.09431	2.9
213.06544	2.9
213.10205	4.9
224.09311	3.1
225.06619	1.8
225.10239	8.5
226.10947	1.2
227.08195	1.7
227.11790	4.1
229.09669	2.4
229.13284	1.0
237.10263	1.8
239.08232	2.2
239.11797	8.2
240.08943	1.4
241.09758	4.8
241.13376	1.4
245.12973	6.3
249.10175	1.7
251.11882	1.1
252.08694	25.4
253.09749	5.6
254.10364	2.2
255.07532	1.1
255.08464	1.1
255.11311	14.3
267.11295	12.3
268.11984	2.0
269.09088	1.1
271.06021	7.0
273.12338	2.0
279.11401	1.0
281.09363	1.1
283.10791	10.3
285.12305	12.1
287.10220	1.5
295.10837	8.1
297.12283	3.8
299.10257	2.2
301.11801	14.9
307.10837	2.5
311.10223	1.8
313.11829	33.4
313.15448	1.9
323.10281	8.4
329.11365	26.4
341.11343	11.8
355.12711	2.0
361.13965	48.1
362.14310	1.1
373.13907	11.0
376.02020	1.0
385.12912	1.1
411.11929	4.0
420.19199	1.9
430.17828	1.0
448.18646	4.3
450.72504	0.9
458.16797	1.1
476.18219	8.7
480.21512	1.2
490.19751	1.3
494.19009	4.4
508.20770	8.9
518.19073	1.2
526.21814	2.7
536.20349	16.5
550.21613	5.6
552.19519	1.5
562.17969	3.9
568.22565	1.6
580.19263	33.4
594.20947	6.9
612.21924	13.6
613.22766	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	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01870	1.4
55.05513	17.7
56.94318	1.6
57.03440	5.7
57.07083	6.9
59.42472	1.1
65.03925	2.3
67.05507	29.9
67.44476	0.9
69.07069	12.5
70.95868	1.8
71.04970	1.0
71.08631	5.7
71.32372	2.0
72.93790	2.3
73.04724	1.0
79.05496	17.9
81.03403	1.5
81.07062	31.9
82.07359	1.3
83.04973	1.9
83.08618	9.0
85.06534	1.5
85.10195	1.5
90.94839	3.1
91.05458	14.4
93.07047	20.9
95.01341	1.8
95.04992	1.7
95.08606	23.8
95.09162	2.1
97.06525	2.3
97.10172	4.8
99.08073	1.9
102.94933	1.2
105.07034	16.9
107.08596	14.1
109.06521	1.2
109.10151	10.2
111.08078	1.7
115.05447	1.1
116.96400	1.5
117.07017	10.7
119.08583	14.8
121.10135	8.7
123.08038	1.6
123.11717	2.5
125.09631	2.9
128.06245	3.2
129.07019	9.9
130.07811	1.1
131.08575	21.4
132.95851	6.1
133.10132	9.4
135.11722	4.5
141.07007	2.9
142.07797	2.2
143.08560	16.7
144.09274	1.4
144.95865	2.3
144.99504	1.1
145.10127	18.9
146.97452	3.4
147.04405	7.3
147.11728	4.4
149.13283	2.0
150.96916	1.8
155.08559	8.9
156.09363	2.2
156.95818	1.2
157.10135	15.4
158.97421	2.7
159.11685	13.2
161.13339	5.2
162.96878	2.7
164.98459	10.5
167.08598	2.3
169.10121	9.5
170.10817	1.1
171.11685	12.6
173.13295	7.8
175.14835	1.7
176.98515	1.6
177.16394	2.0
179.08673	1.5
181.10147	4.9
182.97464	1.5
183.11697	9.9
184.98965	1.1
185.13248	7.5
187.14821	6.1
188.00111	1.6
189.16420	2.0
190.94905	1.1
193.10208	1.5
195.03688	1.1
195.11684	5.0
197.13234	8.6
198.96915	10.1
199.13318	1.5
199.14874	7.3
201.16440	4.0
203.17825	1.4
207.11702	2.2
209.13249	5.3
211.14766	6.2
213.16476	4.0
215.18047	2.5
216.98018	2.5
218.99509	1.7
219.11653	1.0
221.13333	2.6
223.14888	3.4
225.16435	3.4
227.17990	3.5
229.19508	2.4
230.99519	1.9
233.01082	2.5
235.14807	1.6
237.16530	2.8
239.18015	3.2
239.99625	1.1
241.19550	3.1
243.20998	1.8
251.18016	2.3
253.19505	2.3
255.21182	1.2
257.19077	1.4
257.22632	1.3
259.13412	3.8
262.93106	4.8
265.19586	1.2
267.21109	1.7
269.22626	2.0
270.95844	1.5
275.20065	2.1
279.20950	1.7
280.94247	3.1
281.22699	1.2
285.94684	1.6
295.24500	1.0
298.95166	5.9
299.20404	1.0
311.20480	1.1
313.21771	1.3
313.27405	18.2
318.95798	1.1
325.25439	1.7
327.16086	1.1
329.17783	3.7
335.26041	1.7
336.96786	2.2
339.26953	1.5
347.18814	2.6
351.26752	1.2
354.97955	1.5
365.28391	1.5
367.30438	1.3
372.98874	15.5
385.20465	3.0
393.31662	1.5
410.02582	1.0
414.01404	1.8
419.33554	1.4
425.34329	1.4
449.34177	1.5
501.41431	2.0
519.41931	13.9
523.37836	2.1
537.43066	8.6
575.19122	1.1
575.44525	2.6
593.20837	1.4
593.45721	15.7
611.21490	5.1
611.46698	100.0
612.47058	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73919	0.9
53.03942	3.7
55.01875	1.6
55.05509	13.7
57.03444	6.9
57.07068	2.6
65.03931	2.7
66.92220	1.0
67.05510	43.9
69.07069	16.4
69.07409	1.6
69.26628	0.9
70.07409	0.9
71.04984	2.8
71.58673	1.9
79.05495	30.0
81.07059	44.6
83.08617	8.6
85.06565	1.9
91.05472	30.3
93.07050	36.6
95.04973	3.9
95.08611	33.4
97.06540	2.4
97.10181	4.3
105.07034	29.6
107.08594	23.7
109.06518	1.2
109.10155	13.8
111.08039	1.5
115.05458	1.7
117.07026	13.5
119.08589	25.9
121.10149	17.7
123.08111	1.3
123.11726	5.2
125.09630	1.1
125.67802	1.0
128.06255	3.2
129.06995	9.9
130.07820	1.2
131.08578	20.5
133.10139	21.5
135.11719	12.9
137.13239	1.6
139.11279	1.4
141.07039	2.4
142.07762	1.5
143.08575	12.2
145.10133	20.6
147.11693	17.0
149.09631	1.6
149.13239	5.9
155.08600	4.2
156.09360	1.6
157.10120	12.1
159.11708	18.8
159.98083	1.0
161.13290	9.8
163.11220	1.2
163.14856	2.3
167.08607	1.3
169.10121	5.9
171.11681	11.9
173.13260	11.4
175.14824	4.6
177.16441	1.7
181.10182	2.2
183.11693	6.3
185.13222	11.0
187.14798	6.0
193.10205	1.7
195.11745	3.1
197.13274	5.0
199.14891	5.7
201.16402	3.5
209.13312	2.5
211.14868	3.9
213.16446	3.0
215.18053	3.3
219.17529	1.2
223.14938	1.9
225.16472	2.3
227.18063	2.3
229.19615	1.8
239.17986	2.3
241.19669	7.5
243.21123	1.4
253.19655	1.1
257.18839	5.0
259.20575	13.5
261.22223	3.3
275.20135	2.1
277.21811	1.9
280.77890	1.1
311.23798	1.3
325.25357	1.9
331.22729	1.5
333.24203	10.7
335.25809	15.8
337.27792	1.3
348.85721	1.1
353.28677	1.1
365.28217	1.4
367.30078	1.6
381.31805	1.8
425.38724	1.0
457.34189	1.2
515.37762	1.3
519.42004	6.2
537.43079	5.5
541.39233	2.1
593.45520	9.1
611.46735	100.0
612.47070	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78865	0.7
53.03951	1.8
55.01887	1.0
55.05515	14.5
57.03446	3.5
57.07074	3.3
65.03942	1.7
67.05509	26.9
69.06721	1.0
69.07076	13.3
69.29263	6.1
69.29684	1.1
71.04989	1.4
71.08625	1.4
79.05059	1.1
79.05499	17.4
81.07065	28.7
83.04982	1.5
83.08625	8.1
85.06551	1.4
91.05476	16.8
91.05997	1.0
93.07047	17.0
95.04963	2.1
95.08612	23.1
97.06535	2.4
97.10184	4.3
99.08143	1.5
105.07037	18.4
107.08595	12.2
109.10168	11.0
111.08129	1.0
115.05451	1.5
117.07014	10.0
119.08591	14.0
121.10133	8.1
123.08098	1.4
123.11710	2.6
125.09628	1.4
128.06265	2.8
129.07001	8.2
131.08574	17.0
133.10147	10.4
135.11681	4.2
140.45729	0.8
141.07001	3.0
142.07835	2.0
143.08588	11.8
144.09340	0.9
145.10141	14.0
147.11682	6.8
149.09653	0.9
149.13303	2.7
153.07072	1.0
155.08557	7.8
157.10138	11.9
159.11688	11.2
161.13219	4.1
163.14891	2.2
164.26781	0.8
165.16464	1.2
167.08618	2.9
169.10150	8.7
171.11719	10.0
173.13266	6.7
175.14882	2.8
177.16411	1.5
179.14436	1.1
181.10083	3.6
183.11745	6.5
185.13248	7.6
187.14853	3.8
189.16454	1.5
191.17912	0.8
193.10225	0.8
195.11661	3.7
197.13321	5.9
199.14838	4.8
201.16420	2.3
203.17999	1.5
207.11861	1.0
209.13191	1.5
211.14868	5.8
213.16423	3.9
215.18024	2.2
223.14870	2.7
225.16473	3.9
227.17984	2.8
229.19556	2.5
235.14877	1.6
237.16391	1.7
239.18074	2.3
241.19646	1.9
243.21107	1.3
249.16470	1.0
251.17990	1.6
253.19690	0.9
255.21216	1.7
257.19122	1.5
263.17984	1.2
267.21057	1.7
269.22711	0.7
275.20132	1.8
277.21844	1.3
279.21051	0.8
299.20096	1.0
301.21725	0.8
311.23615	1.5
313.21777	1.0
331.22638	0.8
343.26459	0.7
351.27051	0.8
353.28354	1.3
367.30148	1.8
395.33374	1.4
407.33279	1.5
410.25568	0.9
423.32687	0.9
431.33270	1.0
435.18512	0.8
449.33841	1.9
463.17163	1.0
463.35895	1.4
477.19293	2.6
501.41083	2.1
519.42169	8.8
523.37946	1.1
529.38281	1.1
537.42999	5.2
541.39301	1.0
575.44769	1.8
579.26129	2.8
593.45667	10.5
611.28876	5.9
611.46729	100.0
612.46948	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	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01889	2.5
55.05517	19.7
56.49129	0.8
56.93575	0.8
57.03440	5.6
57.07084	4.9
65.03947	3.5
67.05511	50.2
68.65413	0.8
69.06715	1.4
69.07074	18.0
70.85918	2.5
71.04983	1.8
79.05501	37.6
81.07067	50.2
83.04996	1.6
83.08630	10.4
85.06580	1.4
91.05487	36.7
93.07053	44.5
95.04967	3.9
95.08617	40.5
95.26176	0.7
97.06535	4.6
97.10171	4.1
97.81106	0.8
97.83408	0.8
99.08059	1.1
103.05508	1.4
105.07042	35.3
107.07871	1.2
107.08601	24.8
109.06526	1.0
109.10163	18.2
111.08136	2.2
115.05451	1.6
117.07025	18.3
119.08596	32.9
121.10159	19.7
123.08084	1.4
123.11726	5.6
125.09615	1.0
128.06235	3.2
129.07008	8.8
130.07761	1.4
131.08583	25.6
133.10146	24.7
133.65613	1.1
135.11708	14.1
137.09610	1.3
137.13295	1.0
139.11203	1.1
141.06981	4.5
142.07834	2.6
143.08580	13.2
145.10138	22.6
147.11720	19.5
149.09779	1.1
149.13261	7.2
154.88496	0.8
155.07445	1.4
155.08534	5.5
156.09412	1.4
157.10135	14.3
159.11705	20.5
161.13274	13.4
163.14900	3.9
167.08574	1.7
169.10167	7.4
171.11713	15.3
173.13286	12.1
173.92342	1.0
175.14861	5.0
177.16440	1.1
181.10193	3.5
183.11700	7.1
185.13286	9.8
187.14850	7.8
189.16406	3.1
195.11806	3.0
197.13297	6.1
199.14818	6.8
201.16434	3.1
207.11792	1.1
209.13348	1.5
211.14897	3.7
213.16451	4.2
215.17998	3.0
219.17419	2.0
221.13345	1.4
223.14854	2.2
225.16460	2.5
227.17998	2.4
229.19695	1.3
231.21175	1.8
239.17986	2.2
239.83076	0.8
241.19603	10.0
243.21173	1.9
251.17957	1.3
257.19055	4.7
259.20566	21.1
259.22980	1.4
261.22186	4.8
275.20242	1.4
277.21817	1.2
280.34198	0.9
285.22189	1.1
315.23175	2.1
325.25171	1.3
331.22696	1.3
333.24265	10.8
335.25845	18.8
337.27591	1.7
339.26837	1.4
351.25610	1.3
353.28830	1.7
355.26398	1.2
367.30130	1.5
369.27914	1.2
372.23471	1.1
389.05548	1.0
445.43500	1.0
519.42114	7.0
527.38165	1.0
537.43170	4.7
541.38739	2.1
593.45941	7.7
611.46747	100.0
612.47156	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	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03941	2.0
55.01876	1.4
55.05518	15.6
55.30635	0.7
55.48915	0.9
57.03445	3.7
57.07084	5.1
65.03957	1.8
67.05509	27.7
69.03433	1.1
69.07070	12.7
71.04996	1.6
71.08644	2.1
79.05499	18.3
81.03440	1.4
81.06581	1.4
81.07062	27.9
83.05007	1.6
83.08628	8.8
84.05179	0.7
85.06552	0.9
91.05478	13.5
91.05991	0.8
93.07048	21.6
95.04982	1.8
95.08617	20.6
95.09232	1.0
96.61888	0.9
97.06537	3.1
97.10175	4.6
99.08072	1.0
105.07036	16.9
107.04964	1.0
107.08604	11.7
109.06544	1.4
109.10161	9.9
111.08100	1.6
115.05470	1.5
117.07027	9.7
119.08590	17.4
121.10143	9.4
123.08105	1.2
123.11733	2.8
125.09628	1.2
128.06206	2.2
129.06998	11.0
131.08577	18.9
131.09523	1.5
133.10136	12.1
135.11702	5.3
137.13275	1.3
139.11232	1.0
141.06998	4.1
142.07803	1.5
143.08583	15.8
145.10136	18.2
145.11278	1.2
147.11700	7.0
149.13315	2.9
151.11205	1.2
155.08560	9.3
156.09367	2.2
157.10133	14.2
159.11723	14.6
161.13258	3.9
163.14911	1.0
166.07793	0.9
167.08606	2.9
169.10150	11.5
171.11705	11.0
173.11879	1.6
173.13219	6.9
175.14886	2.6
177.16322	1.0
179.08614	1.0
179.14247	0.9
181.10193	4.8
183.11742	10.2
185.13269	9.3
187.14832	4.3
189.16379	2.2
193.10098	1.8
195.11731	4.5
197.13298	6.7
199.14868	7.3
201.16460	3.6
203.17944	0.9
207.11789	1.5
209.13327	2.8
211.14825	4.9
213.16408	4.2
215.18030	2.8
217.19527	0.9
221.13269	1.3
223.14792	3.8
225.16446	4.0
227.18047	3.7
229.19540	1.6
237.16519	2.8
239.18031	3.0
241.19643	2.5
243.21202	1.4
249.16417	1.0
251.17931	1.6
253.19583	1.8
257.19073	1.3
265.19501	1.1
269.22650	1.0
275.20126	1.9
281.22876	1.0
283.20547	1.1
304.91150	1.0
317.28391	0.8
339.26907	1.2
341.28909	1.1
353.28464	1.6
381.27713	1.2
381.31787	1.6
393.31815	1.3
407.33252	1.1
449.34335	1.4
501.40961	3.5
519.42065	10.9
527.37799	0.9
537.43188	8.8
541.39655	1.0
557.43512	1.1
571.13007	0.8
575.45001	1.3
593.45776	13.1
611.46765	100.0
612.47498	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	611.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.7
53.03946	3.9
54.58989	0.8
55.01876	2.2
55.05264	1.0
55.05515	16.3
57.03453	7.2
57.07077	3.1
57.20105	1.0
65.03941	2.6
67.05511	49.2
68.05871	0.9
69.03417	1.4
69.07074	14.7
69.36895	4.2
69.37325	4.5
70.46001	0.9
71.04991	1.8
71.08617	1.3
74.08422	0.9
77.03955	0.9
79.05501	34.9
81.03419	1.1
81.07065	47.2
83.04993	2.4
83.08626	7.7
85.06540	2.6
91.05485	31.6
93.06460	2.1
93.07052	34.3
94.95660	0.9
95.04966	3.5
95.08613	34.6
97.06545	2.5
97.10173	4.1
99.08101	1.2
105.07037	27.8
107.08604	22.9
109.06532	1.7
109.10167	14.6
115.05476	1.8
117.07024	15.7
118.84962	1.3
119.08591	25.7
121.10152	17.6
123.08078	1.6
123.11714	5.9
125.09629	1.3
128.06224	2.7
129.07011	8.1
130.07814	1.7
131.08575	24.9
133.10139	20.0
135.11702	11.5
137.13225	1.1
141.06992	2.6
142.07799	2.7
143.08556	12.7
144.09409	1.3
145.10138	21.5
147.11693	21.4
149.09605	1.3
149.13268	7.8
155.08568	6.5
157.10141	13.5
159.11720	18.7
161.13272	12.6
162.32289	0.9
163.11185	1.2
163.14862	3.1
167.08633	1.1
169.10121	8.1
171.11710	11.6
173.13280	13.2
175.11345	1.4
175.14803	6.3
181.10214	2.2
183.11714	6.3
185.13258	10.6
187.14857	6.2
189.16420	1.7
191.17984	1.1
193.10268	1.0
195.11687	3.5
197.13321	3.7
199.14816	5.0
201.16443	4.1
203.14256	1.3
209.13300	2.4
211.14867	3.2
213.16473	3.6
215.17978	2.9
217.19609	1.8
219.17308	1.0
223.14877	2.8
225.16441	2.0
227.17996	2.6
229.19492	2.0
231.21091	2.0
237.16458	1.3
239.18033	3.4
241.19695	9.2
243.21214	2.3
257.19006	4.6
259.20593	17.6
261.22211	3.1
271.20450	1.3
277.21796	1.6
287.23761	1.5
313.25146	1.2
315.23166	1.6
331.22821	1.1
333.24301	12.0
335.25833	20.8
337.27750	1.6
339.27194	1.8
489.35999	1.3
519.42108	6.8
537.42780	3.4
593.45386	8.0
611.46722	100.0
612.47070	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	611.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01872	2.3
55.05526	20.0
57.03437	10.8
57.07073	4.4
65.03956	2.5
67.05512	59.6
69.03417	2.1
69.07065	18.0
69.85554	1.7
69.88707	2.1
71.05000	2.7
71.60236	2.7
79.05500	59.1
81.07066	65.4
83.05007	2.3
83.08601	11.7
85.06542	4.2
91.05479	41.1
93.07056	63.7
95.04980	7.9
95.08613	54.6
97.06554	3.8
97.10187	5.6
99.08102	2.0
103.05516	2.6
105.04534	1.9
105.07046	37.7
107.08604	37.4
109.06543	2.4
109.10173	22.6
111.08072	5.1
112.31816	1.7
113.09693	2.0
117.07028	16.4
119.08594	27.2
121.10155	30.7
123.08069	2.5
123.11735	6.2
125.09683	2.3
128.06274	2.4
129.07005	6.5
131.08588	27.5
133.10132	25.4
135.11726	22.6
137.09656	2.2
143.08565	10.3
145.10143	20.6
147.11731	19.1
149.09706	1.9
149.13261	11.4
155.08580	2.2
157.10170	8.2
159.11720	16.8
161.13266	15.2
163.14894	3.2
169.10170	3.9
171.11731	12.5
173.13255	11.4
175.14868	6.3
183.11661	4.2
185.13351	5.2
187.14891	8.1
195.11818	3.4
197.13298	5.1
199.14880	7.0
201.16533	3.1
205.15900	3.4
211.14920	2.8
213.16393	2.3
225.16302	1.9
229.19656	2.1
239.18007	2.8
241.19609	7.4
257.19177	2.6
259.20593	18.3
261.22308	4.4
277.21725	12.9
315.23251	2.5
333.24353	9.4
335.25961	13.8
411.52603	2.0
519.42035	3.9
537.43323	3.6
547.48529	2.0
593.45575	4.4
611.46729	100.0
612.47400	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	611.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
53.03905	0.8
55.01833	0.6
65.03929	2.7
67.05453	1.2
68.04997	0.5
68.99731	0.3
70.20034	1.5
79.05492	3.4
80.05014	1.9
81.03345	0.5
81.05737	1.4
81.07008	0.7
82.06567	2.6
89.03860	1.5
91.05443	2.3
92.04939	1.6
93.03362	0.8
93.05724	1.6
93.07050	4.4
94.06570	11.3
95.04914	1.1
95.07349	5.2
95.08551	0.7
96.08131	13.1
97.06461	1.0
103.05399	1.2
105.05774	0.5
106.06552	3.2
107.07294	0.9
108.04484	7.3
108.08119	21.7
109.08867	0.9
110.09686	16.7
116.04979	4.7
117.05684	0.5
118.06557	2.1
120.04469	10.6
120.08109	13.9
122.06037	7.1
123.06785	0.8
124.07598	12.9
130.06456	0.9
132.04384	1.3
132.08026	0.5
134.06021	5.3
136.07584	18.2
138.05431	1.2
138.09145	20.9
144.03410	0.4
144.04449	5.9
144.08014	0.7
146.06015	12.3
146.09558	0.4
148.06523	0.4
148.07568	6.1
150.05458	0.6
152.07074	2.0
156.07968	0.5
157.07579	0.4
158.05989	0.7
158.09576	0.8
160.03951	4.6
160.07587	0.5
161.07063	0.8
162.04294	0.4
162.05525	6.3
162.09132	0.4
163.06316	0.5
164.07051	4.5
166.08647	26.0
167.07240	1.2
167.08549	0.5
168.08072	0.6
169.07556	0.9
170.08293	0.5
170.09589	0.9
171.09084	0.4
172.02548	0.6
172.03932	10.1
172.07480	1.4
174.05510	3.3
174.07770	0.5
174.09140	0.7
176.07077	6.7
178.04950	0.5
180.08043	1.0
181.07455	0.5
181.08806	1.1
182.08330	1.9
182.09711	2.0
183.09158	1.9
183.10483	0.5
184.07567	0.4
184.09856	1.5
184.11325	0.7
185.07014	0.7
185.10667	0.7
186.09134	0.7
187.08615	1.0
188.06969	0.6
190.04993	33.2
191.05261	0.5
192.06528	0.7
195.09154	2.1
196.07538	0.7
196.09897	1.9
197.07034	1.0
197.10747	6.6
198.07848	1.1
198.09372	0.6
198.11424	0.9
199.08649	2.2
199.12325	4.2
200.07022	0.4
200.10892	0.5
201.10248	0.4
201.71123	0.4
207.09135	1.1
208.09894	1.0
209.06985	0.8
209.10687	3.7
210.07652	1.3
210.09135	2.2
210.11499	1.3
211.08669	7.0
211.12096	1.7
212.07446	0.6
212.09274	3.9
212.12605	0.5
213.06305	0.3
213.10150	1.6
214.83220	0.4
221.10678	1.0
222.07585	0.6
223.08635	2.7
223.12315	1.6
224.09360	4.3
225.10226	20.5
226.08908	0.6
226.10910	2.1
227.11795	19.5
228.12067	0.4
229.13214	1.3
233.10725	0.9
234.11478	0.8
235.08646	1.8
235.12248	0.8
236.09418	5.2
237.10207	7.4
238.07346	0.8
238.10970	4.3
239.08170	0.7
239.11807	6.8
240.08922	0.4
241.09651	2.6
241.13361	1.7
243.11215	0.8
245.12903	2.3
248.09465	0.9
249.10226	4.4
250.07153	0.5
250.10963	1.0
250.30705	0.5
251.08179	2.2
251.11845	5.0
252.08905	2.6
252.12401	0.5
253.09726	12.7
253.13264	1.2
254.10469	1.1
255.11348	3.6
257.12949	1.9
261.10199	0.9
262.10956	0.7
263.08115	2.9
263.11612	0.6
264.08936	6.9
265.09753	4.1
266.10443	1.2
267.07281	0.4
267.11285	4.8
268.08282	0.5
269.12857	34.8
270.10092	1.3
271.10757	16.4
271.13834	0.5
273.12357	15.3
274.10886	0.6
275.11639	1.0
277.09695	3.9
278.10431	1.4
279.07983	0.5
279.11264	6.7
281.09494	2.0
281.12729	2.1
282.09967	0.7
283.10754	9.4
284.11530	8.6
285.12408	13.0
286.13327	2.6
287.11197	0.6
287.13974	4.5
288.11679	0.7
289.13312	0.8
291.11227	1.1
293.09161	1.3
293.12561	0.5
294.09979	1.1
295.10699	3.5
296.11841	1.2
297.12354	14.7
298.10703	1.2
298.13647	0.8
299.14072	7.9
300.11478	2.6
300.14929	0.9
301.12283	1.4
302.13095	2.0
302.15884	0.5
303.10843	0.4
305.09128	1.4
307.10797	2.2
309.12387	0.6
310.13919	1.4
311.10748	1.6
311.14316	1.6
312.11966	1.1
312.14926	2.4
313.12003	4.8
314.12894	6.3
315.10434	0.6
315.13889	3.1
316.10785	1.8
316.14423	4.0
317.15311	0.9
319.10919	0.4
321.12259	1.9
323.10248	13.8
324.11069	1.2
324.15021	1.2
325.11829	39.9
326.12790	2.6
326.16531	2.8
327.13632	8.3
327.17365	1.1
328.10748	9.8
328.14447	6.3
328.18225	0.7
329.11731	1.7
329.15222	1.0
330.12323	2.5
330.15997	3.4
331.13406	0.6
331.16779	2.9
335.10193	0.4
336.11194	0.6
337.12033	0.8
338.12860	2.0
338.16626	0.7
339.10086	0.7
339.13684	1.9
340.10947	1.3
340.14716	2.5
341.11691	4.8
341.15298	1.3
342.12350	15.9
342.16046	2.4
343.13052	15.1
343.16827	0.6
344.13849	3.0
344.17596	1.1
345.14490	0.5
352.14630	2.2
353.12204	2.0
354.12189	3.0
354.16510	2.3
355.13077	3.8
355.16763	1.0
355.20468	0.5
356.13937	12.6
356.17203	0.5
357.14758	3.6
358.11484	0.4
358.15518	5.5
360.17102	0.4
365.11282	2.3
366.16150	1.9
367.13184	2.4
368.10022	0.8
368.13867	1.3
368.17639	1.6
369.11124	1.4
369.14960	1.4
370.11627	2.0
370.15536	10.8
371.17087	1.9
372.13324	1.1
372.17538	1.7
373.15207	0.6
374.18820	0.8
376.16394	1.1
378.18182	2.2
380.13919	2.5
381.14352	0.5
382.11810	10.4
383.12534	5.8
384.13211	7.5
384.17310	1.1
385.14194	3.9
386.14413	4.5
386.19394	3.1
387.15585	1.2
388.16714	2.0
390.18088	4.7
394.15503	3.5
396.13016	0.7
396.17474	0.9
397.14667	1.3
398.15009	34.8
399.15799	33.7
400.16611	4.9
401.13120	1.7
402.18307	2.1
404.16016	7.2
410.15005	1.0
412.16492	3.7
414.18164	7.0
415.15790	0.5
416.16019	27.8
417.16495	1.0
418.17838	0.6
422.17059	3.1
428.16074	7.8
430.17664	3.8
432.18848	0.4
440.16061	13.3
446.17108	31.3
447.17657	1.6
448.18719	3.9
458.17114	100.0
459.17328	2.2
460.18857	3.1
474.20987	0.5
476.18149	1.9
478.20551	0.5
489.18542	0.7
490.19458	0.8
523.23254	0.8
525.25635	0.5
538.22119	0.6
539.26532	1.5
541.24396	2.5
543.25745	0.5
547.23254	0.8
549.25299	0.7
551.22833	1.6
552.23615	0.8
563.23102	0.5
565.24512	5.4
567.25940	7.0
569.23969	26.4
570.24359	0.8
575.23047	2.6
583.25604	7.8
593.23987	21.4
594.24286	0.7
611.25000	61.4
612.25269	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	611.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03935	1.0
65.03944	1.3
69.03402	0.7
69.23666	1.3
69.24070	3.5
81.03419	3.9
85.02921	2.8
86.93074	0.5
87.00847	0.6
91.05477	9.5
97.02888	1.0
104.97725	0.5
109.02886	1.9
112.98375	0.4
119.04952	24.1
123.20801	0.5
127.03945	6.3
130.96887	0.4
147.04419	100.0
148.04752	0.8
211.76247	0.6
213.03944	0.9
276.82370	0.6
310.33835	0.5
377.08661	1.0
449.30441	0.5
481.09839	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	611.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28675	0.6
67.05489	1.2
71.60319	1.0
79.05473	0.8
91.05450	1.1
93.05801	0.9
93.07023	1.1
94.06573	3.2
96.91396	0.8
105.07016	1.0
106.06590	0.7
108.08116	3.0
110.09663	0.6
118.40150	0.6
120.04485	1.5
120.08102	1.3
122.06026	2.7
130.71690	0.8
136.07599	3.0
138.09163	1.1
144.04524	0.8
144.08084	0.8
146.06029	5.7
148.07626	2.0
150.05533	1.2
158.09627	1.0
159.09274	0.7
163.03941	1.4
165.05753	0.7
166.08647	1.1
167.07301	1.3
170.08356	0.9
172.03922	1.3
172.07587	1.2
180.08078	0.9
181.08957	1.0
182.08408	2.1
182.09760	2.0
183.09229	2.8
184.09972	2.7
184.62682	0.7
185.10764	0.7
186.09184	1.0
187.08667	0.9
190.05031	2.8
193.07564	0.8
194.08441	2.5
195.09213	2.0
196.07632	0.8
196.09982	2.2
197.06949	0.8
197.10696	6.0
198.07770	1.2
198.09375	0.9
199.08702	0.9
199.12364	3.1
200.10744	1.1
204.06619	2.3
207.09196	1.7
208.09929	1.1
209.10719	6.6
210.09209	2.5
210.11465	1.7
211.08670	4.7
211.12347	1.8
212.09346	4.2
213.10257	3.7
220.09790	0.9
221.07152	1.6
221.10846	0.8
222.07816	6.6
223.08647	3.7
223.12245	0.8
224.09474	2.3
225.10252	14.9
227.11804	13.2
235.08778	1.7
236.09436	3.9
237.06631	0.8
237.10245	17.0
238.07410	1.0
238.10947	1.5
239.11832	9.5
240.12561	0.9
241.09738	8.3
241.13518	1.9
249.06619	2.4
249.10329	1.7
250.07372	4.5
251.08162	3.4
251.11888	0.9
252.09045	3.6
253.09718	11.2
255.11299	1.7
263.08188	1.1
263.11911	1.2
264.09003	2.6
265.09741	21.3
266.10516	1.7
267.11313	13.1
269.09857	1.2
269.12869	22.7
271.10800	16.4
277.09848	1.2
278.07025	1.2
279.07852	0.9
279.11362	0.9
280.08499	1.1
281.09335	3.0
281.12659	3.3
283.10837	7.1
284.11572	2.2
285.12354	2.2
286.13144	0.8
287.13901	11.2
291.11398	0.9
293.05893	1.7
293.09219	34.0
294.09644	1.4
295.10815	3.0
296.11700	0.9
297.12323	10.7
298.13196	1.2
299.13959	5.7
311.10257	22.4
312.10965	1.0
313.11963	2.7
314.12860	2.4
316.14560	0.9
321.12418	1.4
323.10446	1.7
325.11832	13.6
326.13086	1.3
328.11063	1.5
328.14557	1.4
330.16025	1.4
338.13113	0.8
339.13815	1.2
340.10748	1.1
340.14514	0.8
341.11652	1.1
342.12564	2.4
342.16302	1.0
343.13260	1.5
344.14047	0.8
354.12393	1.7
355.13281	0.9
356.14014	3.0
358.15552	1.1
360.17288	1.0
368.14001	2.4
370.15665	2.3
382.11423	0.9
384.17474	0.9
386.15012	1.3
388.16922	0.8
396.13669	2.8
397.14261	1.2
398.15115	2.8
399.15826	2.3
404.16507	1.3
405.13196	0.8
407.18704	0.9
412.16656	2.6
416.16116	3.0
417.17072	1.4
418.17691	1.5
419.14984	1.5
420.15836	1.0
421.16559	2.8
431.17593	0.9
435.18225	2.8
438.14542	1.3
440.16483	1.5
444.15738	1.7
446.17380	1.6
449.15579	1.8
456.15637	3.1
458.17200	6.3
460.18823	0.9
463.17810	2.2
464.18381	2.0
470.17313	1.9
476.18335	0.8
477.19147	2.0
488.18185	2.2
491.20709	2.2
492.21552	1.0
507.23999	1.7
509.21985	2.4
511.23291	2.4
519.20074	2.3
520.20709	1.3
523.24036	1.1
533.21735	2.0
535.23340	5.3
537.21381	8.8
551.22986	6.8
561.21442	9.0
564.20404	0.8
569.24396	1.5
579.22418	100.0
580.22766	3.6
583.25543	1.1
593.24213	2.4
611.24695	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	611.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
57.55811	0.5
67.05496	1.2
69.07071	0.6
70.78790	1.2
77.08435	0.6
79.05106	0.8
79.05500	7.4
80.05021	1.5
81.07050	1.0
88.85825	0.6
91.05483	4.6
93.07054	6.7
94.06573	3.4
95.04960	2.1
95.08603	1.4
96.05405	0.6
96.08150	0.7
103.05479	5.1
105.05781	1.4
108.08110	8.0
110.09703	1.6
111.30702	0.6
118.06541	2.9
119.07324	1.8
120.08116	30.5
122.06025	1.5
134.06024	1.2
135.11732	0.8
136.07590	30.8
138.09149	3.1
146.06030	1.0
147.04436	1.4
148.07582	100.0
149.07935	0.9
152.07104	1.2
162.05533	1.8
164.07072	7.2
166.08638	5.9
167.07214	0.8
168.08167	0.7
174.05565	0.9
176.06879	0.7
182.09721	0.8
186.09126	0.8
190.05054	0.9
194.09608	0.7
197.08388	0.9
198.09180	1.5
210.09154	5.4
212.07092	0.7
212.10728	1.7
214.08658	1.7
222.09227	1.3
224.07101	4.0
224.09109	0.9
225.07828	1.2
225.10130	1.0
226.08611	2.5
227.11797	1.2
228.06627	1.2
228.10313	0.8
234.07576	3.3
238.08640	13.5
240.06627	3.7
240.10309	4.7
242.08136	4.2
250.08665	1.5
252.06552	3.0
252.08702	39.6
253.09201	0.7
254.08185	5.6
255.08582	0.8
256.09708	3.1
266.08127	18.6
268.09677	6.4
270.07635	3.0
282.07684	2.2
282.11230	0.9
284.09155	6.8
294.07596	6.8
296.09204	8.1
298.10883	1.1
300.08682	2.1
302.10327	2.2
303.11420	0.8
303.14606	1.2
312.08694	26.8
313.13235	1.3
314.10172	5.1
316.12231	1.6
317.12863	3.1
322.07101	7.6
325.11707	0.6
326.10437	0.7
328.08185	4.0
329.12677	1.1
330.13492	1.0
331.10919	0.9
331.14398	2.2
340.08151	22.6
341.12943	1.3
342.12131	0.6
343.10712	0.7
344.11450	1.8
345.12311	2.6
345.16016	0.9
346.13037	0.7
354.09656	0.8
354.21887	0.6
357.15909	0.8
358.09238	1.3
358.13098	0.8
359.10071	1.1
359.13870	4.0
360.10806	5.0
372.10809	39.3
373.11368	1.9
373.15607	1.8
375.17184	1.1
377.15204	0.9
382.12552	0.8
386.12726	0.8
387.13583	4.1
388.14716	0.6
391.16699	0.7
398.15335	0.8
399.15610	0.8
401.14996	3.9
403.16458	1.8
404.13721	2.6
415.13275	0.6
416.15982	0.9
419.16138	7.6
421.17599	1.9
429.14636	1.2
431.16019	2.4
432.13092	2.6
447.15555	21.7
449.17010	3.9
458.17178	2.9
465.16235	0.8
475.15018	20.1
479.18039	4.5
489.16711	1.2
491.17960	0.7
493.16092	3.1
507.17648	17.6
517.15747	1.6
523.15417	0.9
535.17395	1.8
551.16626	3.1
561.15009	1.1
579.16235	6.7
593.23724	0.7
611.24646	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	611.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
56.07445	0.5
65.03935	1.0
67.05496	1.2
69.07050	0.5
71.17886	1.1
79.05496	6.9
80.05007	2.0
81.07074	1.0
91.05477	4.9
92.05041	0.5
93.05772	0.6
93.07054	8.3
94.06583	3.1
95.04981	2.1
95.07368	0.8
95.08618	0.6
96.05279	0.5
96.08132	2.0
103.05472	6.9
105.04545	0.8
105.05772	1.7
106.06570	0.6
108.04541	0.7
108.08137	7.2
110.09694	3.0
118.06552	2.6
119.07345	2.9
120.04490	1.2
120.08114	33.8
122.06058	1.2
124.07616	0.8
131.04915	0.6
134.06073	1.0
136.07590	27.1
137.07872	0.5
138.09135	3.5
144.04488	0.5
146.05986	1.5
147.04388	1.2
148.07584	100.0
149.07932	0.7
152.07114	1.4
162.05479	1.2
163.03850	0.8
164.07086	4.3
166.08669	6.6
167.07199	0.5
172.03951	0.8
174.05531	0.9
182.09703	1.0
184.11354	0.5
186.09195	0.8
190.04987	2.9
194.09695	1.0
196.07646	1.2
197.08386	0.7
197.10791	1.3
198.09135	1.5
210.09186	5.1
211.08568	0.7
212.07185	0.8
212.10786	0.8
214.08635	0.9
222.09174	1.7
224.07111	5.2
224.09111	0.7
225.07922	0.7
225.10271	1.4
226.08647	2.1
227.11874	1.7
228.06424	0.5
234.07657	1.2
237.10194	1.4
238.08664	14.1
239.11815	0.9
240.06586	3.9
240.10251	3.4
242.08078	3.1
248.07259	0.6
249.10403	0.6
250.08670	1.9
251.05667	0.6
251.08209	0.8
252.06541	3.6
252.08713	40.1
253.07002	0.6
253.09552	1.3
254.08131	4.0
256.09811	1.6
258.07767	0.7
264.09109	0.5
265.09805	0.9
266.08136	20.7
267.08624	0.9
267.11264	0.7
268.09723	6.9
269.12897	2.8
270.07642	3.5
271.10919	1.2
273.12402	0.8
275.11896	0.7
278.07962	0.7
282.07645	4.1
284.09021	4.6
285.12479	0.9
288.12189	0.5
294.07620	11.0
296.09140	5.6
297.12616	0.9
300.08612	1.5
302.10083	0.6
303.14911	0.7
312.08673	25.2
313.13168	1.2
314.10199	1.7
315.11328	0.7
316.12094	0.9
317.12772	1.5
322.07074	6.6
323.10397	0.8
325.11862	2.8
326.10144	0.9
328.07928	0.8
328.11221	0.9
331.14438	1.2
340.08163	20.3
341.12625	1.5
342.12115	1.5
344.11478	1.4
345.12393	1.6
345.16104	0.9
354.09653	1.4
356.14111	1.3
357.12329	0.7
358.09250	1.0
359.13730	2.8
360.10641	4.8
370.15652	0.9
372.10791	63.9
373.11316	1.5
373.15643	2.3
386.12363	0.8
387.13489	1.9
391.16614	0.9
398.15024	2.9
399.15848	2.7
400.16196	0.6
401.14941	2.0
403.16791	1.0
404.13525	1.1
414.12933	0.7
414.18353	0.7
416.15976	2.7
419.16104	7.1
429.14368	1.8
431.16153	1.5
432.13370	2.0
440.16098	1.5
446.17188	2.6
447.15500	12.2
449.17023	1.2
458.17245	6.7
475.14996	13.1
479.18079	6.6
493.16040	1.6
507.17654	23.5
517.16089	1.3
551.16620	2.1
569.24097	1.6
579.15900	4.2
583.25592	0.8
593.23914	1.9
611.24847	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	610.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01857	1.1
64.98826	0.7
67.05504	3.3
70.06603	1.1
71.59518	1.1
79.05502	9.7
80.05030	1.4
81.03422	1.1
81.07057	2.1
82.03809	0.8
83.75439	0.8
87.00872	0.8
91.05473	5.9
93.07067	7.9
94.06570	3.3
95.04991	2.2
95.08603	1.9
96.08153	1.7
103.05486	8.9
103.75020	0.7
105.05770	2.0
105.07021	1.0
105.57075	0.7
108.08152	8.2
109.02914	1.0
109.10163	0.8
110.09711	2.1
118.06561	3.7
119.07365	1.8
120.08126	33.6
122.06042	3.1
127.03921	1.0
129.02411	0.8
135.04407	1.5
136.07588	12.7
138.05515	0.9
138.09164	2.5
147.04472	1.2
148.07593	100.0
149.07956	1.2
152.07074	1.2
163.03931	2.7
164.07111	2.3
166.05009	1.0
166.08679	6.4
177.05521	2.2
184.11336	0.8
197.10805	1.3
199.08742	1.3
208.09721	1.2
209.10690	1.8
211.08672	3.8
212.09486	1.4
213.10280	1.9
214.47409	0.8
219.09138	0.9
222.07806	1.8
223.08557	5.0
224.09424	2.6
225.10300	5.2
227.08180	3.7
235.08739	2.4
237.10269	22.7
237.12694	1.2
238.07269	1.1
238.10933	3.0
239.08180	8.8
239.11809	4.6
240.08852	0.9
241.09773	6.4
247.08704	1.3
248.09332	1.2
249.10265	1.8
251.08231	5.0
252.08745	24.6
253.09761	11.2
254.10442	1.0
255.11221	4.2
265.09763	37.7
266.10501	3.2
267.07785	4.1
267.11304	7.5
269.09229	2.3
271.06137	5.1
272.06403	4.2
277.09769	1.9
279.07843	1.6
279.11121	1.4
280.08347	0.9
281.09253	19.9
282.09857	1.1
283.10794	11.7
287.10269	1.9
293.09247	28.6
294.09979	1.5
295.10815	15.4
297.08948	0.9
297.11920	0.8
298.09967	0.9
299.10309	4.2
307.10767	1.8
309.08774	3.2
311.10306	22.3
311.13705	0.8
321.08740	10.7
325.11902	2.2
327.09790	14.2
330.12085	0.8
335.10135	1.4
336.18060	1.0
339.09784	54.6
341.11307	5.3
342.12173	1.8
343.13229	2.0
344.13931	1.7
353.11258	7.0
356.13898	1.8
357.14948	1.0
358.15552	2.1
359.12378	21.2
371.12460	40.3
372.10358	1.3
372.17267	1.8
382.15662	0.9
384.13351	1.0
385.14175	2.1
400.16818	4.5
402.18146	1.0
418.17862	1.7
428.16116	3.8
430.17511	2.6
446.17230	8.0
456.15350	1.5
460.18665	1.6
464.18042	1.6
474.16711	19.5
475.16412	1.2
478.19864	3.7
488.18097	3.1
490.19946	1.1
492.17786	7.3
506.19455	10.7
507.18161	1.0
524.20209	3.0
532.17041	1.7
534.11676	1.2
534.18884	14.2
548.20245	2.1
550.18237	6.8
560.16425	3.2
566.21460	13.4
578.17786	43.6
579.18317	1.1
592.18933	3.3
610.20660	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	609.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01871	1.0
55.05514	16.0
55.10939	0.5
57.03442	4.6
57.07071	1.9
59.05016	0.7
65.03947	1.2
67.05511	25.3
69.03419	0.6
69.07071	13.2
71.04997	1.2
71.08643	0.7
79.05496	15.8
81.07063	24.6
83.04987	1.3
83.08621	7.4
85.06542	0.9
91.05068	0.3
91.05487	14.8
93.07053	16.5
93.07630	1.0
95.04971	1.6
95.08616	19.8
97.06539	1.8
97.10180	4.2
99.08100	0.7
101.06049	0.5
103.05483	0.6
105.04551	0.5
105.07042	15.5
107.08603	12.0
107.09291	0.8
109.06553	0.7
109.10159	8.4
111.08066	0.8
115.05473	1.7
117.07022	7.9
119.08593	14.4
121.10159	8.5
123.08097	1.7
123.11716	3.1
125.09674	0.9
128.06235	3.3
129.07014	12.1
130.07834	0.8
131.08586	13.5
133.10147	9.1
135.11705	5.3
137.09636	0.7
137.13313	1.0
139.11215	0.7
141.07001	6.4
142.07764	3.7
143.08568	16.2
145.10130	16.1
147.11693	5.3
149.13243	2.5
151.11179	0.6
153.07008	1.4
154.07753	1.8
155.08569	14.5
156.09369	1.9
157.10146	16.0
159.11699	11.0
161.13280	3.4
163.03955	0.7
163.14919	1.0
165.07048	1.7
166.07816	1.2
167.08607	7.5
168.09348	2.8
169.10141	15.4
169.11546	0.8
170.10928	0.9
171.11708	12.8
173.13271	6.2
175.13443	0.4
175.14896	1.8
179.08635	2.8
180.09372	1.3
181.10138	11.0
182.10912	2.6
183.11705	17.4
184.12440	1.1
185.11638	0.9
185.13269	10.9
187.11282	0.7
187.14828	4.3
189.16423	1.4
192.09329	0.8
193.10159	4.0
194.10883	1.0
195.11725	10.4
196.12465	1.3
197.13274	14.9
197.15016	0.9
199.11253	0.5
199.13196	1.0
199.14841	7.1
201.16441	2.3
203.18123	0.7
205.10170	1.1
206.10986	0.5
207.11658	3.3
209.13252	9.3
210.14091	0.9
211.14827	9.0
213.14848	0.5
213.16487	4.0
215.18002	0.7
217.15999	0.6
219.11826	1.1
220.12628	0.6
221.13242	3.7
222.13998	1.0
223.14796	6.4
225.16438	5.5
227.18015	3.5
229.19556	0.6
231.17503	0.6
233.13321	1.0
235.14815	2.8
237.16333	3.9
239.17970	3.8
241.19652	1.7
247.14871	1.5
249.16394	2.3
251.18002	3.9
253.19618	2.0
255.21393	0.7
257.19150	0.6
261.16272	0.6
263.18045	1.9
265.19641	1.9
267.21246	1.1
272.88675	0.5
273.22183	0.6
275.20386	0.7
277.19562	0.9
279.21204	1.4
281.19067	0.5
281.22592	0.6
283.20447	1.1
285.22079	0.9
291.20999	0.8
293.22845	0.9
295.20731	1.1
295.24197	0.8
297.22137	0.8
299.20126	0.9
301.21829	0.6
307.20651	0.8
309.21970	1.1
311.20233	0.7
311.23676	0.9
317.22577	0.5
319.24481	0.6
321.22040	1.0
323.23706	1.6
325.21799	0.8
325.25360	1.3
327.23166	1.2
335.23727	1.6
337.25385	1.9
339.23218	1.1
339.26901	0.7
341.24881	0.9
347.23630	0.9
349.25266	2.0
351.23175	0.8
351.26950	1.6
353.24710	1.1
355.26471	0.9
361.25391	0.6
363.26743	1.3
365.24484	0.8
365.28638	1.6
367.26425	0.6
377.28552	1.5
379.30099	1.6
381.28006	0.8
391.29956	1.7
393.31747	1.1
395.29590	0.7
405.31500	1.3
409.31244	1.1
421.31302	1.0
425.30402	0.7
429.31464	0.8
433.31058	1.5
435.32556	0.9
447.32614	1.9
449.34058	1.1
461.34164	1.3
473.32764	0.5
475.34979	0.6
483.34836	0.9
485.33087	0.8
499.40039	2.5
513.36420	0.7
515.37744	0.6
517.40430	15.7
523.38574	0.6
535.41736	9.1
539.37396	1.9
551.40674	0.6
553.42212	1.5
555.42188	1.0
565.42334	1.2
573.42944	2.3
591.44116	16.2
592.45007	1.0
609.45160	100.0
610.45465	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	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03955	2.9
54.06471	1.1
55.01877	2.3
55.05260	1.4
55.05516	18.2
57.03445	6.4
57.07075	2.9
65.03946	1.5
67.05514	37.9
67.05875	2.5
69.07074	15.0
71.05014	1.7
71.08638	5.1
72.39092	1.2
79.05502	30.8
80.23282	1.3
81.03426	1.6
81.07065	41.3
83.05000	2.6
83.08612	7.9
85.06554	2.4
91.05476	32.7
93.07056	34.4
95.04984	4.0
95.08616	30.0
97.06550	4.3
97.10189	2.6
98.21429	3.2
99.08113	3.7
105.07042	30.3
107.04992	2.6
107.08600	20.9
109.06546	2.0
109.10156	13.0
111.08085	1.5
115.05483	2.7
117.07037	13.0
119.08592	22.4
121.10142	15.1
123.08087	3.9
123.11736	2.5
128.06209	2.5
129.07004	10.9
131.07692	2.3
131.08586	21.1
133.10149	19.7
135.11720	8.6
141.07024	3.5
142.07852	2.2
143.08598	12.7
145.10152	18.7
147.11714	9.9
149.09650	1.7
149.13264	6.4
153.07022	1.4
155.08588	7.7
156.09398	2.1
157.10120	13.0
159.11720	14.1
161.13313	4.9
167.08604	4.0
169.10152	11.7
171.11714	11.1
173.13293	9.2
175.14789	2.2
179.14301	9.2
181.10181	6.4
183.11720	10.1
183.77122	1.2
185.13263	7.7
187.14853	5.5
189.16443	1.8
193.10303	1.5
195.11737	5.2
197.13324	7.3
199.14906	3.6
201.16498	1.8
207.11719	1.6
209.13243	5.9
211.14909	4.1
213.16457	3.0
219.17484	8.8
223.14828	4.1
225.16367	2.3
227.18066	1.8
235.15022	1.9
235.17096	1.4
237.16428	2.7
239.18021	4.3
241.19606	2.4
251.17931	1.5
257.19037	3.3
259.20700	3.7
267.20889	1.3
275.20023	11.6
277.21622	5.7
283.20514	1.3
315.23233	2.8
317.24829	2.3
323.23907	1.7
325.25098	1.3
335.26266	1.4
351.26834	1.9
392.96533	1.3
409.31299	1.5
517.40521	8.6
535.41559	3.8
553.42590	1.7
591.44354	6.1
609.45166	100.0
610.45184	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	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.66722	0.7
53.03954	2.0
55.01887	1.9
55.05514	16.0
57.03442	3.9
57.07080	1.3
62.98009	0.7
65.03945	2.0
67.05508	29.4
69.07068	13.6
69.79557	4.5
69.79916	1.4
71.04977	0.9
77.03993	0.8
79.05499	19.7
81.07062	26.1
83.04995	1.5
83.08633	6.3
85.06553	0.8
91.05490	19.0
91.06074	1.0
93.07057	17.4
93.64958	0.8
93.84834	0.7
95.04946	2.0
95.08614	21.2
97.06547	2.2
97.10185	3.5
103.05478	1.3
105.07036	18.0
107.04973	0.9
107.08591	13.8
109.06525	1.4
109.10159	9.6
111.08125	0.9
115.05487	1.8
117.07020	10.1
119.08591	16.3
120.41336	0.8
121.10146	8.8
123.11712	2.5
125.09695	1.0
128.06274	2.5
129.07011	10.4
131.07610	0.9
131.08577	16.2
133.10135	11.2
135.11717	4.7
141.07005	5.6
142.07808	2.5
143.08585	14.0
145.10127	16.5
147.11714	8.6
149.09666	1.0
149.13298	1.9
153.06995	1.5
154.07768	1.4
155.08565	11.3
156.09346	1.5
157.10150	12.5
159.11713	11.3
161.13300	2.9
163.14784	1.1
165.07033	1.9
167.08525	5.9
168.09393	2.3
169.10159	15.9
171.11685	11.9
171.13071	0.8
173.13226	6.0
175.14796	1.9
177.16495	1.3
179.08583	1.3
181.10120	7.8
183.11685	14.4
185.13277	8.6
187.11221	1.0
187.14868	4.6
189.16411	1.8
193.10167	2.0
195.11691	7.7
197.13264	9.2
199.14880	4.7
201.16409	2.2
203.18076	1.0
207.11752	2.7
209.13225	7.0
211.14874	6.8
213.16498	3.7
215.17966	1.4
221.13261	2.1
223.14935	4.4
225.16458	4.4
227.18127	1.8
233.13315	1.5
235.14859	2.0
237.16516	2.9
239.18065	3.1
247.14807	0.8
249.16368	2.1
251.18114	1.9
253.19862	1.8
257.19138	1.9
263.18076	1.9
265.19647	1.1
275.20197	2.6
277.19650	0.8
283.20721	1.0
293.22675	1.0
309.21994	1.3
313.21698	1.0
313.25494	1.1
321.22034	0.9
323.23740	1.5
337.25266	1.6
339.23087	0.9
341.24771	1.0
351.26743	1.2
353.24731	1.1
363.27145	1.2
377.28430	1.6
379.30115	1.1
407.29108	0.9
429.32294	0.9
447.32428	1.9
487.34222	0.9
499.39841	1.5
513.35443	1.0
515.36951	1.1
517.40497	9.1
535.41388	4.6
539.37201	1.5
573.43109	1.3
591.44080	9.4
609.45160	100.0
610.45526	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	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
52.80696	0.4
53.03940	1.6
53.05284	0.4
55.01872	1.5
55.05516	15.2
57.03442	2.8
57.07088	2.2
59.78117	0.4
65.03942	1.4
67.05509	24.8
69.07071	12.0
71.04993	1.1
71.09650	1.0
77.03931	0.5
79.05497	17.5
81.07063	24.4
83.04988	1.0
83.08620	7.1
85.06528	1.0
91.05484	15.2
93.07053	16.3
95.04975	2.2
95.08612	19.9
97.06510	2.3
97.10187	3.2
99.08078	0.6
103.05470	0.9
105.07042	15.3
107.08600	11.4
109.06538	0.8
109.10150	9.0
109.10847	0.3
111.08101	1.4
111.11757	0.6
115.05462	1.2
117.07025	9.5
119.08590	13.6
121.06496	0.5
121.10153	7.4
123.08065	0.7
123.11709	2.4
125.09643	1.5
128.06235	3.1
129.07010	10.2
130.07761	1.2
131.08578	13.7
133.10144	11.4
135.11693	5.2
137.09665	0.9
137.13237	0.7
139.03947	0.4
139.11198	0.6
141.06995	5.7
142.07822	3.7
143.08569	14.5
143.09692	0.7
145.10133	16.7
145.11278	0.9
146.10895	0.5
147.08099	0.4
147.11711	6.6
149.09657	0.7
149.13289	2.1
153.07018	1.7
154.07765	1.9
155.08569	12.7
156.09331	2.0
157.10136	14.7
159.11700	8.8
161.13261	3.4
163.03929	0.7
163.11195	0.8
163.14844	1.0
165.07021	1.6
166.07820	0.7
167.08566	5.3
168.09329	1.7
169.10143	16.1
170.10901	1.1
171.11691	12.4
172.12411	0.8
173.13287	5.9
175.14864	1.7
177.16455	0.7
179.08557	2.5
180.09369	1.4
181.10118	8.3
182.10910	1.4
182.12437	0.6
183.11710	15.9
185.13280	9.8
185.14844	0.7
187.14838	4.4
189.16382	1.3
191.08698	0.5
191.14323	0.4
192.09482	0.6
193.10178	3.1
194.10951	1.2
195.11697	9.0
196.12483	0.7
197.13268	11.5
198.13963	0.7
199.13225	0.9
199.14851	5.7
201.16479	2.0
203.17920	0.8
205.10190	1.0
207.11722	3.8
208.12489	0.9
209.11394	0.8
209.13261	7.5
210.14055	0.5
211.14838	8.2
211.16730	0.7
213.13016	0.6
213.14848	0.6
213.16454	4.0
215.18015	1.1
219.11729	1.1
221.13280	3.1
222.13971	0.4
223.14857	5.5
224.15662	0.4
225.16367	5.2
227.18098	2.5
229.19478	0.8
231.17410	0.5
233.13261	1.1
233.19017	0.5
234.14075	0.4
235.14856	2.5
237.16418	4.4
237.18607	0.6
239.18091	2.9
241.19606	1.7
247.14807	0.9
249.16417	1.4
251.17975	3.2
253.19568	1.6
255.17403	0.4
255.21097	1.2
257.19116	1.7
261.16342	0.9
263.18018	1.3
265.19662	2.1
267.21158	1.3
269.19003	0.8
275.20117	1.6
277.19498	0.9
279.17706	0.5
279.21048	0.9
281.22766	0.8
282.65320	0.4
291.21262	0.9
293.18930	0.6
295.20517	1.3
297.18698	0.6
297.22089	0.9
307.20551	1.0
307.24011	0.7
309.22244	1.1
311.20300	0.5
311.23703	1.2
313.21637	0.5
313.25159	0.6
319.20352	0.6
321.22110	1.1
323.23849	1.8
325.21686	0.7
325.25269	0.8
327.23471	0.6
335.23825	1.4
337.25360	1.7
339.23196	0.7
347.23438	0.8
349.25153	1.1
351.23230	0.7
351.26910	2.1
353.24820	0.8
363.27054	0.5
365.28525	1.7
367.26416	0.9
377.28357	0.7
379.26022	0.6
379.30338	0.5
381.27829	0.6
391.30048	0.4
393.31830	0.9
395.29456	0.9
403.29776	0.8
405.31955	0.6
407.29095	1.0
409.31534	0.5
417.31540	0.7
421.31088	0.9
423.32874	0.8
433.30847	0.6
435.32614	0.9
447.32477	1.7
449.34085	0.7
461.33667	0.6
475.35254	0.6
487.34637	0.6
489.41577	0.6
499.39578	1.9
501.35815	0.9
503.35486	0.4
509.36111	0.5
515.38348	0.7
517.40442	12.5
521.36176	0.9
523.37555	0.7
525.35742	0.9
535.41718	6.4
539.37433	1.7
540.38037	0.7
541.38489	0.6
555.41992	1.0
573.43457	2.0
591.44177	13.0
592.44696	0.6
609.45148	100.0
610.45251	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	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.8
53.03946	5.0
55.01871	4.3
55.05516	17.4
57.03441	8.8
57.07081	2.2
61.84955	0.9
61.95163	0.7
65.03941	3.5
67.05508	52.5
69.03415	1.7
69.06715	1.4
69.07072	18.4
69.88973	0.9
71.04993	2.5
71.59106	0.9
75.61547	0.8
77.03933	2.1
79.05499	53.4
81.03419	2.2
81.07063	48.7
83.04972	4.6
83.08637	5.2
84.91581	0.8
85.06554	3.0
91.05483	56.6
93.07051	51.0
95.01342	2.9
95.04978	9.3
95.08612	33.7
97.06544	8.6
97.10171	3.0
99.04469	3.3
99.08095	1.1
103.05457	2.2
105.04550	2.4
105.07037	43.8
107.04966	7.3
107.08605	24.8
109.06528	7.5
109.10168	12.1
111.08107	1.6
115.05507	1.1
117.07030	16.8
119.08593	35.2
121.06537	1.3
121.10152	19.4
123.08092	4.6
123.11730	2.6
125.09678	0.9
128.06215	1.2
129.07021	2.9
130.07777	0.9
131.08575	24.5
133.10143	22.8
135.08078	3.0
135.11703	11.0
137.09656	3.4
141.07022	1.7
143.08620	4.3
145.10124	15.9
147.11693	9.9
149.09618	5.0
149.13292	4.0
153.12778	2.7
157.10185	2.9
159.11719	9.8
161.13313	5.3
163.11230	2.5
163.14857	1.1
165.12894	1.1
171.11714	2.4
173.13277	5.9
175.14867	2.0
177.12791	1.8
179.14301	4.5
180.88998	0.8
183.11766	2.3
185.13254	4.3
187.11322	1.1
197.13229	2.0
201.16425	4.6
203.14371	3.4
209.15390	2.0
219.17453	100.0
220.17836	1.3
229.19670	1.4
239.17975	1.7
247.20711	1.2
257.18991	6.1
261.22327	1.6
275.20074	43.6
285.01221	0.9
293.21350	2.5
335.25906	1.4
349.23837	2.4
361.40192	1.0
513.38812	0.8
609.45178	48.9
610.45508	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	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.87415	0.5
55.05506	2.1
57.03428	0.5
67.05505	5.1
69.07077	2.2
69.25857	5.4
79.05501	3.5
81.07062	4.4
82.21033	0.5
83.08638	1.2
91.05481	3.8
93.07050	4.2
95.04969	0.8
95.08611	4.6
99.53866	0.6
105.07027	3.0
107.08598	2.6
109.10197	1.6
110.34190	0.5
117.07036	2.2
119.08571	2.9
121.10178	1.8
129.07047	1.6
131.08553	3.5
133.10139	2.1
135.11722	1.0
143.08560	1.8
145.10136	3.1
147.11691	1.1
149.13281	0.6
155.08548	1.4
157.10172	1.1
159.11729	3.3
161.13313	0.8
163.86963	0.5
167.08626	0.7
169.10202	1.4
171.11719	1.9
173.13268	0.7
181.10222	1.0
183.11751	1.6
185.13306	1.1
195.11772	0.9
197.10696	0.6
197.13266	1.2
199.14853	0.7
210.66129	0.6
219.17496	0.5
223.12393	1.1
225.16251	0.6
237.13980	0.5
251.15648	0.6
257.19095	1.0
259.20773	0.7
275.20206	1.3
281.09103	0.5
333.02377	0.7
361.15720	0.5
374.16290	0.6
376.17160	1.2
377.17944	0.8
380.27777	0.6
388.18353	0.8
389.19162	0.8
390.18509	2.5
391.19171	2.9
392.20081	1.3
393.20889	0.9
400.16974	1.2
401.17825	1.4
403.19769	0.9
404.20367	1.6
405.20874	3.8
406.21475	2.7
407.22339	4.2
412.16660	0.6
413.17752	0.9
415.19269	3.6
416.20105	0.7
419.22980	1.2
420.23309	1.6
421.23947	5.1
427.19452	1.0
428.20065	0.8
429.20978	3.8
430.21942	1.5
431.18384	1.1
432.19525	1.5
433.20117	2.3
433.24692	1.3
442.21915	1.7
443.22440	1.0
444.23206	1.5
445.20456	1.0
446.21002	0.7
447.17502	3.1
449.23660	1.0
455.22186	0.7
457.24484	4.0
459.22058	2.8
460.22989	1.6
461.19241	6.4
462.20355	2.4
463.21564	1.3
472.22989	1.1
473.19595	1.0
474.20453	1.4
475.21127	10.2
476.21835	7.7
477.22687	5.4
478.23767	1.0
479.24600	1.1
485.23578	11.1
486.20117	4.3
487.20679	0.9
487.25726	0.9
488.22141	1.2
489.23044	7.1
493.22299	1.0
494.27036	0.9
499.21143	2.4
500.22174	2.4
502.23865	0.7
503.24561	6.5
504.21548	0.7
504.25168	1.0
507.23727	1.7
513.23022	1.0
515.24500	8.7
517.22650	1.3
517.40277	0.8
521.26221	3.5
531.23938	18.2
532.24792	0.6
541.22809	0.8
548.24725	0.7
549.25006	2.0
550.25854	4.3
559.23523	7.3
560.23486	0.6
577.24390	1.1
591.26013	35.9
592.26257	1.1
609.27100	100.0
609.44037	15.3
610.27460	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	609.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26454	1.3
53.03944	2.1
55.05516	1.8
69.07083	3.2
70.91348	2.9
81.03418	6.1
81.55748	1.5
85.02907	4.0
91.05489	14.0
93.07030	1.5
97.02861	2.0
99.04457	2.3
107.08607	1.8
109.02882	2.8
119.04949	24.3
121.10149	1.5
122.93826	1.3
127.03918	9.3
147.04417	100.0
148.04771	1.9
163.03925	5.6
192.74992	1.3
208.87941	1.4
481.09760	12.6
609.23212	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	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03937	0.5
55.05515	1.1
57.03435	0.6
57.07082	0.5
67.05235	0.3
67.05518	3.8
69.07065	1.1
71.05630	0.9
78.78000	0.3
79.05498	3.8
81.07062	3.1
83.08618	0.7
91.05482	3.0
93.07060	3.5
95.04979	0.7
95.08617	2.5
96.24440	0.4
98.21280	0.5
100.23643	0.4
105.07030	2.3
107.08615	2.0
109.10175	0.9
117.07021	1.2
119.08591	1.8
121.10155	1.3
129.07037	0.9
131.08595	1.5
133.10138	1.7
137.64490	0.3
141.06975	0.5
143.08591	1.2
145.10130	2.2
146.09799	0.4
147.11732	1.0
149.09682	0.4
155.08545	0.7
157.10161	0.9
159.11737	1.5
169.10104	0.8
171.11726	0.9
173.13258	0.4
183.11728	0.9
185.13354	0.6
189.16469	0.4
195.11755	0.5
197.13330	0.7
209.11017	0.5
210.11620	0.5
213.16362	0.4
223.12328	0.5
225.16647	0.4
238.14667	0.4
239.18172	0.6
251.15489	0.6
257.19113	0.7
275.20135	1.4
293.21268	0.4
335.25906	0.7
363.16125	0.5
374.16489	0.5
377.17688	1.1
378.18964	0.8
389.18265	0.9
390.18866	1.0
391.19290	2.4
392.20319	1.3
400.17477	0.4
401.17551	0.7
402.19791	0.5
403.19443	0.8
404.20721	0.6
405.20898	2.9
406.21704	1.9
407.22226	3.5
413.17557	0.7
414.18768	0.6
415.19510	1.4
416.20404	0.6
417.21255	0.7
419.18231	0.8
419.22656	1.5
420.23541	0.5
421.23898	3.9
422.24646	1.0
423.47864	0.4
427.19415	0.6
428.20020	0.6
429.20810	2.1
430.22034	1.0
431.18076	0.6
431.23007	0.8
432.19595	0.8
433.16116	1.1
433.20197	1.3
433.24725	0.9
434.25012	0.5
435.21472	0.7
438.19781	0.4
443.22583	0.4
444.23331	0.9
445.20346	1.6
446.20868	0.5
447.17471	2.2
448.18674	0.7
451.21851	0.6
452.22165	0.6
457.23956	1.2
459.22589	1.9
460.23013	2.0
461.19275	6.0
462.20126	2.4
463.21429	1.3
471.18433	0.7
472.22556	1.4
473.19861	0.6
474.20547	1.5
475.21124	9.7
476.22028	7.6
477.22256	4.1
478.23627	0.6
483.18271	0.5
485.23721	5.7
486.20163	2.4
487.25705	0.7
488.22369	0.8
489.22922	5.5
493.22409	0.8
494.26529	0.9
497.23599	1.0
499.21393	3.4
500.22318	1.6
502.23798	0.6
503.24652	7.1
504.21292	1.1
505.22473	0.7
513.22882	1.3
515.24530	5.4
517.22729	2.6
517.40302	0.6
518.23267	0.6
521.26434	2.5
531.24048	10.2
532.24878	0.4
533.25629	0.5
535.23364	1.2
535.41296	0.4
549.24890	2.3
550.25848	4.5
559.23492	5.6
563.26532	1.4
577.24744	2.5
591.26105	14.6
592.26953	0.7
609.27118	100.0
609.44928	7.3
610.27301	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	609.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96645	0.1
67.01864	0.4
68.99792	0.4
69.03417	0.4
70.06572	0.1
70.58404	0.4
71.01357	0.1
73.82836	0.1
81.03420	0.4
85.02907	1.8
91.05463	0.4
92.04142	0.1
95.01292	0.1
96.90861	0.1
97.02922	0.7
98.06126	0.1
109.02900	0.2
109.40280	0.1
119.04941	1.6
120.08064	0.1
120.70090	0.1
121.02863	0.7
127.03891	0.4
127.32334	0.1
129.01816	0.2
141.01825	0.6
145.02861	0.7
145.04935	0.4
153.01837	4.2
159.02762	0.1
163.03920	0.4
171.02927	0.4
181.04883	0.1
187.03912	0.2
203.06995	0.2
225.05432	0.3
229.04900	0.3
243.06427	0.3
247.06007	0.2
253.04906	0.2
271.06018	100.0
272.06357	1.3
283.05972	0.2
313.06909	0.2
409.81958	0.1
440.08859	0.1
447.09247	4.5
511.38495	0.1
529.54053	0.2
538.46155	0.1
608.13440	0.1
609.14319	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	609.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
54.66842	0.1
55.01865	0.3
57.03433	0.1
65.03932	0.2
67.01862	0.7
67.05496	0.5
68.99798	0.6
69.03433	0.4
69.07085	0.4
69.24540	1.7
70.06550	0.1
74.99039	0.1
78.57697	0.1
79.05505	0.4
81.03419	1.3
81.07082	0.8
81.07465	0.1
85.02917	0.4
85.06521	0.3
89.03922	1.8
91.05500	0.9
92.33490	0.1
93.07044	0.3
95.04935	0.2
95.08589	0.6
97.02898	0.4
97.06504	0.2
98.21507	0.4
99.04458	0.2
99.08087	0.1
103.05467	0.6
104.05799	0.2
105.07019	0.2
107.08620	0.2
109.02872	0.3
109.10131	0.4
117.03391	5.1
119.04947	2.2
120.08127	0.2
121.02878	1.3
121.10133	0.3
123.04445	0.1
127.03925	0.3
129.01865	0.2
131.04941	1.4
132.05267	0.5
133.10161	0.2
134.03647	0.3
135.04414	0.6
136.07599	0.2
142.85040	0.2
145.02858	12.9
147.04399	0.4
148.07614	0.3
149.05147	0.1
149.06010	1.6
153.01831	6.1
163.03902	2.1
164.04245	0.2
171.02893	1.4
177.05479	27.3
178.05801	0.5
186.05553	0.3
187.03938	0.2
197.05869	0.1
203.07034	0.4
225.05472	0.7
229.04942	0.4
243.06581	0.3
247.06073	0.2
264.05923	0.2
265.09821	0.2
271.06021	100.0
272.06375	1.5
283.06009	0.3
284.06772	0.3
285.07562	0.2
289.25119	0.2
313.07114	1.8
321.09662	2.1
339.10614	1.1
371.12720	0.2
415.10242	0.2
433.11493	0.2
500.75079	0.2
543.17853	0.2
609.15710	0.3
609.28876	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	608.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01869	4.0
55.05515	11.3
57.03444	2.2
57.07074	2.0
58.99580	6.3
63.02374	2.1
65.03947	2.1
67.05504	14.5
69.03075	1.7
69.03416	9.0
69.07079	18.0
69.46522	5.6
69.46947	6.8
70.06600	12.0
71.05003	18.1
73.06562	1.8
74.06072	2.9
76.02229	13.5
79.05507	20.8
81.03417	8.2
81.07065	79.0
83.04994	2.5
83.08627	7.1
84.04514	1.8
84.57732	1.6
85.02914	20.0
86.09695	5.4
86.99068	4.4
87.00835	7.1
88.02222	6.1
88.03996	1.6
88.91066	1.7
89.03918	2.7
91.05489	21.4
91.06020	2.4
92.05817	2.8
93.07053	41.8
95.04948	4.1
95.08611	44.0
97.02898	7.5
97.06529	3.5
97.10142	3.9
99.04449	3.0
99.08101	3.3
100.02196	1.8
100.07623	2.0
105.00114	8.7
105.01870	4.8
105.07040	41.6
107.08604	49.5
109.02898	7.5
109.06541	2.6
109.10171	40.0
111.08086	1.9
111.11678	2.5
117.03342	3.5
117.07064	2.2
119.04947	16.9
119.08591	53.4
120.05304	6.4
120.08125	5.2
121.02898	4.9
121.10132	16.1
122.02729	100.0
123.11718	21.1
124.07604	1.4
127.03924	23.3
127.08643	1.7
127.11232	11.0
128.04295	2.0
131.08601	2.8
133.10147	45.5
134.02682	2.7
135.04405	1.8
135.11705	77.6
137.13272	4.1
145.02838	9.4
145.05019	3.3
145.10141	3.6
146.02731	3.9
147.04425	71.2
147.11697	30.0
148.04752	31.5
148.07611	3.9
149.13274	5.3
151.11188	3.1
153.12762	30.3
159.03027	1.9
159.11705	2.1
161.13284	11.7
163.03932	6.3
163.14859	3.2
164.03986	3.5
165.12772	1.7
175.14810	3.1
177.05461	15.6
199.11160	2.5
203.17970	53.2
212.03841	2.6
215.10643	1.9
221.12856	2.1
221.19016	29.6
235.15265	2.4
253.16100	2.1
324.20032	6.2
334.05988	2.7
337.11829	4.0
342.21008	93.4
343.21344	3.1
357.14597	2.3
360.17908	2.5
360.22086	27.1
370.08075	10.8
373.55908	2.0
481.09860	2.9
482.10046	8.0
491.42758	1.7
507.43057	1.8
608.27802	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	608.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28569	2.1
53.03940	8.5
55.01886	14.1
57.03434	6.6
60.04517	4.2
61.02922	7.5
62.00629	2.2
68.99791	3.5
69.03434	34.2
70.06602	5.1
71.04997	6.8
71.12808	3.7
73.02912	8.5
77.38332	2.6
79.05507	3.5
81.03419	29.0
84.08093	3.1
85.02910	100.0
87.00842	30.5
91.04013	3.0
91.05496	5.2
95.05039	2.6
97.02902	50.5
99.04459	15.9
103.05444	5.7
105.01873	54.8
106.99648	2.1
107.04965	7.0
109.02892	36.2
111.04370	2.6
117.01836	3.9
119.08616	4.3
121.02911	3.7
121.06472	11.0
125.02376	2.9
127.03926	81.5
129.01852	4.5
130.06602	3.3
131.04956	4.7
133.10173	2.9
135.07974	2.5
136.07515	2.3
137.06015	2.3
138.04214	2.4
140.04697	16.7
142.08676	2.4
145.04979	54.1
147.02927	4.5
147.04443	3.6
149.05978	16.0
153.05525	11.0
159.02905	19.7
163.03891	5.4
175.14793	5.5
177.04024	2.5
178.04973	2.6
181.08615	96.9
189.03984	5.2
192.82710	2.9
193.08772	2.4
205.08585	14.4
213.03935	8.7
219.01816	2.5
231.04942	25.3
247.09702	5.1
249.06006	3.6
257.35559	2.5
259.09811	3.3
271.06113	17.6
272.06342	3.5
289.10867	3.0
331.74277	2.6
572.38440	3.0
608.19470	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	607.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.7
53.03954	6.9
53.92507	1.0
55.01875	10.4
55.05514	23.6
57.03428	3.5
57.07084	2.3
65.03943	4.9
67.00204	1.0
67.05509	61.2
69.03420	2.0
69.06715	2.1
69.07076	39.6
70.68878	1.7
70.69187	2.1
71.04999	2.3
71.08626	1.5
77.03913	2.3
79.05499	53.2
80.05837	1.2
81.03064	0.8
81.03447	8.2
81.07065	62.7
83.04985	8.2
83.08624	10.9
85.06544	4.0
91.05489	82.2
93.07055	50.5
95.01350	11.5
95.04977	14.2
95.08615	46.4
95.09230	1.7
97.06538	16.5
97.10180	3.9
99.08099	1.8
103.05478	4.1
105.04561	1.6
105.07041	92.0
107.04965	18.3
107.08606	25.4
107.09288	2.2
109.06534	3.9
109.10165	15.9
111.04478	1.2
111.08106	3.7
115.05481	3.6
116.06245	1.7
117.07033	29.0
119.08587	60.4
121.06510	2.9
121.10151	15.1
123.04424	1.2
123.08083	4.6
123.11710	3.1
125.09654	3.1
128.06242	4.0
129.07008	15.0
130.07759	2.7
131.08582	39.3
133.06512	2.0
133.10141	49.9
135.08072	3.3
135.11707	11.8
137.09618	2.7
137.13219	1.5
139.07550	1.3
141.07010	4.5
142.07794	2.8
143.08562	14.7
144.09377	1.3
145.06535	2.1
145.10144	29.7
147.08057	2.3
147.11703	28.8
149.09584	5.8
149.13280	7.2
151.07454	1.5
151.11215	3.0
153.06961	1.4
154.07751	1.5
155.08554	8.6
156.09273	1.6
157.10149	12.2
159.08078	1.9
159.11719	20.7
161.09610	1.5
161.13277	12.6
163.11224	4.4
165.07057	1.7
165.09109	2.8
165.12766	1.2
166.07773	1.3
167.08604	5.4
169.10161	10.5
171.11720	14.3
173.09494	1.5
173.13293	12.1
175.14787	2.7
177.12805	4.5
179.08594	3.0
179.14339	13.6
180.09157	1.1
181.10126	6.7
183.11674	8.1
185.13286	8.4
187.11174	3.6
187.14890	5.1
193.10168	4.1
195.11737	9.1
195.13564	1.8
197.13258	8.0
199.14873	4.3
201.16446	2.5
205.91727	1.3
207.11726	3.2
209.13292	5.0
211.14883	3.8
213.16406	3.1
217.19528	1.8
221.13312	3.5
223.14896	4.9
225.16437	1.8
229.19461	2.0
231.21230	1.2
233.13249	1.6
234.42337	1.2
235.14743	2.1
237.16486	3.2
239.18013	4.2
241.14436	2.3
241.19624	9.5
247.15036	2.5
247.20628	1.9
251.17995	2.2
255.26764	1.0
257.19052	5.9
259.20609	14.1
263.17990	1.5
273.18671	2.6
274.73557	1.0
275.20099	62.6
276.20480	1.8
279.21198	2.0
289.25290	3.0
293.21173	4.1
311.23828	1.3
313.21857	2.4
315.23242	15.6
320.06274	1.2
329.25217	1.3
349.23788	7.6
381.29919	1.8
445.31085	1.2
483.34964	3.1
497.37427	1.5
515.38904	7.0
533.39923	4.9
551.41199	3.5
589.42572	4.2
607.43616	100.0
608.43939	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	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
63.93415	0.3
68.34886	0.4
69.40769	3.4
75.13332	0.4
75.22971	0.4
83.29702	0.4
88.38898	0.3
98.20789	0.8
104.91362	0.4
175.46034	0.4
190.27216	0.4
217.60547	0.5
373.14075	0.5
388.16959	0.9
389.17886	1.5
401.18076	0.5
402.18527	1.6
403.19293	4.2
404.20074	1.6
405.20761	1.9
415.19315	0.8
416.20139	1.2
417.16272	0.9
417.21326	5.4
418.21713	2.8
419.22482	3.7
430.17633	1.2
430.22614	0.7
431.18121	8.4
431.23618	1.0
432.19534	1.7
433.24069	10.4
434.24585	1.6
444.19318	0.7
445.19736	10.9
446.20728	4.8
447.21710	4.0
450.77829	0.4
459.21442	5.2
460.22443	12.2
461.23288	15.0
462.24170	0.5
473.23676	2.8
474.24265	1.3
477.23059	0.6
487.24725	2.2
491.24994	0.5
492.25540	0.5
505.21646	2.3
506.27350	0.6
515.24213	0.5
519.24170	1.3
519.27448	1.2
532.24872	0.9
533.25653	0.6
547.27081	45.1
548.27155	2.0
575.26324	0.7
578.25128	0.5
579.29553	1.1
607.29150	100.0
608.29431	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	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
59.60616	0.2
71.58805	0.2
84.45008	0.2
134.47453	0.2
153.01724	0.2
164.52415	0.2
201.65700	0.1
209.10680	0.2
233.10704	0.2
234.11411	0.2
235.12277	0.2
236.12994	0.2
237.13817	0.2
286.13339	0.2
298.13165	0.2
300.14914	0.2
311.14020	0.2
324.14948	0.2
336.15234	0.2
338.16245	0.3
365.59604	0.2
371.14099	0.2
386.16296	0.2
387.16147	0.5
388.16812	0.7
389.17508	1.5
390.18408	0.4
391.19159	0.2
400.17682	0.2
401.17575	0.7
402.18509	1.3
403.19214	4.0
404.19919	1.5
405.20792	2.0
415.14655	0.3
415.19211	0.7
416.20526	1.4
417.16672	1.1
417.21368	4.5
418.21680	2.6
419.22388	4.1
420.23187	0.2
429.16357	0.4
429.20908	0.6
430.17841	1.2
430.22171	0.7
431.18121	9.8
432.18613	2.3
432.24066	0.6
433.24066	9.2
434.24927	1.4
443.18710	0.5
444.18451	0.8
445.19852	11.7
446.20694	5.2
447.21750	4.9
449.23575	0.3
458.21024	0.5
459.21478	5.5
460.22540	12.5
461.23349	12.8
462.19998	0.4
463.21442	0.3
473.23697	3.5
474.24109	0.8
476.21771	0.4
477.22876	0.8
487.25098	1.7
488.25577	0.4
489.22760	0.5
491.19983	0.4
491.24496	0.7
492.24908	0.8
503.20319	0.2
505.21704	3.2
506.26666	0.7
515.24384	0.6
518.22937	0.5
519.24084	2.1
532.24701	0.7
533.25348	0.4
547.27045	30.7
548.27515	0.4
563.24530	0.2
564.26855	0.2
575.26599	1.1
578.25061	0.4
579.29602	0.6
592.27185	0.2
607.29132	100.0
608.29407	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	607.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.5
57.07074	1.2
67.05499	4.1
69.07059	2.2
69.90527	3.3
69.90943	1.7
76.38454	0.8
79.05511	3.9
81.07072	4.2
83.08631	1.0
91.05495	6.0
93.07040	4.1
95.05025	0.8
95.08629	2.7
97.06514	1.0
98.20754	1.6
105.07029	6.6
107.04994	1.5
107.08630	2.6
109.10159	1.5
109.24905	0.8
117.06978	1.7
119.08607	3.6
121.10150	1.3
131.08537	1.7
133.10141	3.1
135.11664	1.0
145.10181	1.8
147.11673	1.3
149.13306	0.9
157.10240	1.2
159.11702	1.1
185.13251	0.9
219.17517	2.3
275.20258	2.5
309.23529	0.9
375.15714	1.1
379.12823	0.8
387.16284	2.1
388.16922	1.6
389.17538	4.3
390.18732	1.4
391.18939	1.4
399.30527	0.9
400.17972	1.0
402.18851	1.3
403.19519	5.6
404.20209	2.4
405.20917	3.4
416.16061	1.3
417.17090	3.7
417.21002	4.2
418.17276	1.4
418.21994	1.4
419.22720	8.7
430.17703	1.0
431.18271	8.4
432.19513	3.2
433.20364	2.8
445.20151	8.5
446.20999	7.6
447.21829	12.2
459.18329	3.3
460.18915	1.9
463.25092	0.9
473.24167	1.1
474.20459	11.9
475.21307	12.7
487.21588	1.6
490.24045	1.2
491.20816	1.7
501.22662	1.1
519.24243	10.8
520.24304	1.3
532.20990	0.9
547.23438	70.8
548.23761	3.3
561.24933	1.4
579.26141	4.5
607.25555	100.0
607.43451	6.5
608.26190	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	607.2555
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
66.71848	0.2
69.68549	1.4
81.07073	0.3
97.62044	0.3
98.20583	0.2
102.35542	0.2
122.52733	0.3
143.67874	0.2
176.56177	0.3
209.10786	0.3
223.12357	0.3
235.12419	0.3
251.11926	0.3
252.12521	0.3
273.18350	0.3
300.15015	0.3
310.13571	0.3
326.16492	0.3
338.16589	0.3
340.14749	0.3
350.16351	0.2
360.14664	0.3
371.14017	0.3
372.08282	0.3
372.14725	0.3
374.15491	0.4
375.16177	1.1
376.17346	0.4
386.16635	0.3
387.16153	0.7
388.16989	0.8
389.17773	2.5
390.18698	1.2
391.19351	1.2
392.20224	0.3
401.17929	0.6
402.14255	0.5
402.18704	1.1
403.15369	0.7
403.19580	3.8
404.20187	1.8
405.20926	2.9
406.21494	0.5
407.22388	0.4
415.14853	0.4
415.19705	0.4
416.15439	1.2
416.20877	0.5
417.16226	4.2
417.21173	2.2
418.16965	1.1
418.22040	0.8
419.22534	6.7
420.23160	1.1
430.17090	1.1
430.22708	0.4
431.18311	8.0
432.19263	3.3
433.20258	4.1
441.17188	0.3
444.19437	0.5
445.20193	5.9
446.21075	8.3
447.21817	9.1
447.27658	0.5
448.22433	0.9
459.17993	1.4
459.22351	1.2
460.18777	0.7
460.23938	0.3
461.19388	1.9
462.24127	0.7
463.20538	0.4
463.26144	0.6
473.19022	0.7
473.23795	1.1
474.20456	5.6
475.21127	5.6
476.21710	0.5
477.22635	0.9
478.23688	0.7
487.21622	1.3
488.22192	0.7
490.24094	0.5
491.20255	3.1
501.23373	1.1
502.23932	0.4
504.21741	0.5
505.22513	0.8
506.22852	0.7
519.24127	17.3
520.24182	0.6
532.20801	0.6
547.23438	12.8
548.23792	1.0
551.26874	0.6
561.24963	0.6
579.26056	5.6
579.34460	0.5
580.25903	0.3
589.24573	0.5
607.25568	100.0
608.25769	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	606.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.2
54.06741	2.3
55.05507	8.3
65.72817	2.3
67.05508	11.4
69.03426	4.0
69.07064	10.8
69.26414	22.0
79.05491	13.6
81.07067	19.0
83.04990	3.8
83.08606	12.2
87.00832	6.1
91.05476	14.6
93.07052	27.6
95.05018	4.3
95.08617	33.8
97.06538	7.6
98.20741	3.4
105.07040	32.3
107.08598	49.5
109.06517	2.9
109.10163	22.4
111.08084	2.5
115.05450	4.3
115.07567	5.8
117.07017	10.8
119.08595	57.7
121.06522	6.3
121.10152	42.5
123.08060	5.4
123.11710	8.5
128.06204	4.5
129.06993	10.7
130.07735	4.1
131.04895	2.8
131.08569	30.5
133.10138	37.8
135.11702	20.2
137.09671	4.0
137.13335	2.3
141.07007	2.9
142.07768	9.1
143.08569	21.0
144.09377	3.1
145.06499	3.3
145.10143	75.5
147.11690	27.8
149.09641	6.8
149.13287	12.5
151.11253	4.4
155.08546	18.2
156.09349	8.5
157.10144	50.2
158.10876	3.6
159.11711	48.4
161.09654	3.5
161.13239	24.3
161.33875	2.6
163.11223	22.2
163.14853	7.6
168.09383	3.5
169.10138	11.7
170.10922	6.4
171.11716	33.0
172.12561	2.7
173.09644	5.5
173.13272	31.8
173.46773	2.5
175.11151	3.4
175.14853	23.1
177.12724	2.8
177.16402	33.0
182.11021	3.5
183.11702	30.6
185.13257	33.2
187.11273	5.4
187.14835	52.1
189.12711	4.9
189.16388	38.8
191.14369	2.3
191.17917	7.6
195.11844	5.2
197.13280	60.6
198.13933	2.7
199.11201	2.5
199.14835	51.2
201.12741	12.3
201.16425	26.3
203.14326	7.2
203.17853	5.5
205.15892	100.0
207.17543	14.6
209.13205	4.3
211.11259	3.0
211.14824	3.9
213.12758	2.4
213.16428	7.1
215.14319	26.9
215.17953	5.8
217.15840	5.5
219.17520	9.3
223.14757	2.6
223.16965	3.8
225.16426	5.2
227.17947	4.3
231.13792	8.8
233.11638	3.2
233.15407	2.9
233.19006	4.9
237.18625	5.2
239.18010	3.0
243.13812	9.9
245.15352	3.6
261.14935	7.6
265.19720	2.8
319.15445	19.1
339.14197	3.2
347.14868	3.0
365.16013	5.3
385.28922	4.5
387.30273	2.9
403.29953	20.1
405.31561	8.3
421.31018	43.9
431.29590	11.4
437.30530	6.7
439.32153	26.3
449.30588	38.7
467.31625	44.1
485.32489	25.5
507.30988	9.5
525.32220	24.4
543.33032	9.6
553.31744	19.2
571.32361	16.5
589.33411	10.7
603.83459	2.7
606.35889	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	606.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48830	1.7
53.03941	3.4
55.05496	4.9
57.07079	2.2
59.66764	1.7
62.06092	98.3
67.05505	16.5
69.03413	6.2
69.07047	6.8
71.04991	2.7
71.08636	3.1
71.58843	2.6
72.69963	1.6
72.82951	1.6
73.02898	1.5
77.11942	1.9
79.05499	8.1
81.03411	6.5
81.07053	22.3
83.04984	1.9
83.08607	3.0
83.86131	1.8
85.02912	9.6
85.10186	3.9
87.00809	2.9
89.03918	2.3
91.05489	12.9
93.07050	11.2
95.04977	3.6
95.08617	15.7
97.02901	7.2
98.06084	2.1
99.04463	2.1
99.08102	5.0
100.32246	1.6
103.05460	11.5
105.07029	7.0
107.08583	6.5
109.02904	7.9
109.10168	10.6
111.13652	1.9
113.09630	3.4
117.03407	3.7
117.06996	3.1
119.04911	10.4
119.08592	8.4
120.05301	2.4
120.08118	3.1
121.06511	13.2
121.10149	5.6
122.09658	2.9
123.08096	2.0
123.11727	2.7
127.03909	8.1
129.01810	1.8
130.35971	1.7
131.04929	17.6
131.08556	4.1
133.10114	6.0
135.04391	2.0
135.11691	5.4
142.08638	2.0
145.02832	19.2
145.10161	4.2
147.04408	59.8
147.11674	4.7
148.04782	15.2
148.07550	3.3
149.06015	2.6
149.13277	3.3
154.81943	1.8
157.10109	2.8
159.11673	2.3
163.03908	3.4
163.14783	2.1
166.05621	1.9
173.13362	2.2
177.05489	33.3
187.14793	1.9
201.11189	2.7
224.20105	2.1
228.19571	3.1
231.17419	1.8
240.19629	6.6
242.21188	2.6
243.21097	3.1
249.05519	2.9
251.11783	2.2
261.22159	3.3
263.11765	4.2
279.11331	3.5
279.23096	2.3
283.15280	2.0
291.11478	2.4
295.06030	4.7
307.10562	1.8
314.13855	29.7
322.27423	100.0
323.13913	2.4
323.25656	2.5
326.67557	2.1
335.10239	1.8
339.13577	2.3
340.28488	68.2
355.12677	2.6
358.29541	45.6
367.12888	2.6
395.09769	5.4
396.10165	8.7
431.45844	2.1
562.21680	5.4
606.20819	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	606.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
65.03909	1.2
67.05468	1.2
79.05492	4.6
80.04977	1.7
81.07037	0.5
91.05477	3.8
92.04969	0.7
93.05746	0.9
93.07037	4.2
94.06567	5.6
95.04952	0.7
103.04890	0.4
103.05471	4.3
105.05727	1.5
105.06913	0.6
106.06550	1.0
107.07323	1.0
108.04425	0.5
108.08122	9.1
110.09653	0.9
116.10703	0.6
117.05753	0.7
118.06525	3.3
119.07285	1.2
120.04476	7.3
120.08105	28.2
122.06042	15.5
122.09651	3.2
124.07559	1.2
130.06479	0.8
132.08015	2.2
132.08871	0.5
134.05962	0.9
134.09549	0.7
136.07571	14.5
138.05481	1.0
138.09125	2.9
144.08026	1.0
146.06029	7.6
148.07574	43.4
149.08073	0.5
150.05504	1.2
150.09146	5.1
152.07053	4.0
155.83040	0.5
156.08020	0.6
158.09622	0.8
160.07539	1.0
162.09120	1.6
163.03819	0.6
164.07083	3.2
164.10664	0.9
166.08623	4.8
167.07237	0.8
168.08058	0.7
172.03960	1.1
174.05513	1.2
176.10648	1.9
178.08667	0.6
180.10193	3.4
181.08900	0.7
182.09618	1.1
183.09126	1.1
184.09938	1.7
186.05579	0.7
186.09099	0.6
188.07056	1.0
190.05005	3.4
192.08099	0.5
192.10135	0.9
194.08125	1.3
195.09106	1.0
196.09856	1.9
197.10770	3.1
198.07840	0.6
198.11563	1.1
199.08607	0.5
199.12236	1.3
201.10146	0.6
204.06490	1.4
205.07413	0.7
206.08150	1.3
207.09151	0.9
208.05946	0.7
208.09717	2.2
209.10716	3.5
210.11421	1.5
211.08580	1.7
211.12283	2.2
212.09439	3.4
213.10202	1.1
218.08327	0.8
219.09113	1.3
220.09854	1.1
221.06955	0.5
221.10672	3.1
222.07849	1.8
222.11488	1.5
223.08676	6.5
223.12216	4.4
224.09367	4.5
224.12965	1.1
225.10191	10.5
226.10915	2.1
227.08226	0.9
227.11751	5.4
233.10760	4.8
234.11430	1.4
235.08630	6.5
235.12239	2.4
236.09373	5.8
237.10219	29.7
238.10951	6.1
239.08202	4.0
239.11781	10.7
240.12448	0.7
241.09729	3.0
241.13319	0.7
246.11613	0.7
247.08688	2.3
248.09410	6.1
249.10234	20.2
250.07210	1.1
250.10974	7.7
251.08147	10.7
251.11780	23.1
252.08792	5.3
252.12531	3.4
253.09705	14.9
253.13240	1.1
254.10490	1.8
255.07533	0.5
255.08467	0.7
255.11296	11.4
258.07660	1.2
260.09448	0.9
261.10245	13.8
262.10959	4.9
263.08218	2.4
263.11798	20.4
264.08948	2.6
264.12384	1.1
265.09726	26.9
265.13037	1.5
266.10510	5.8
267.11282	19.2
267.14447	0.9
268.11911	1.4
269.09229	2.5
269.12759	2.2
271.10764	4.5
273.12537	0.8
273.15579	0.5
275.08051	2.0
275.11752	1.3
276.08762	2.1
277.09683	8.6
277.13187	2.0
278.06577	1.3
278.10492	9.9
279.07697	7.8
279.11264	34.2
280.11954	5.5
281.09213	7.0
281.12814	7.3
282.09955	1.7
283.10788	18.7
283.13953	0.9
284.11472	1.3
285.12390	1.4
287.13965	0.7
289.09723	25.4
290.10364	3.3
291.08084	0.8
291.11270	15.3
292.08371	1.4
292.11951	1.5
293.09195	6.7
293.12827	8.7
294.10013	10.0
294.13388	1.2
295.10809	13.5
295.14102	1.2
296.11520	6.6
297.08734	1.8
297.12271	5.0
298.09540	1.2
299.10257	3.0
299.13638	1.0
300.11002	0.7
301.12180	0.6
303.11234	1.3
305.09167	1.6
305.12784	1.2
306.09964	1.7
307.10739	12.9
307.14145	1.0
308.11542	4.3
309.08759	1.4
309.12259	8.5
310.09756	0.6
310.12997	2.7
311.10233	20.6
311.13882	5.4
312.11099	7.5
312.14954	1.4
313.11795	2.3
314.12692	2.5
315.13568	1.6
315.17096	0.5
316.14487	1.2
317.09204	4.5
318.09827	0.9
319.10745	1.5
321.08652	3.4
321.12323	2.2
323.10229	3.4
323.13898	6.5
324.11038	5.2
325.11871	6.6
326.12650	10.2
326.16345	0.8
327.13406	9.9
328.14191	1.6
329.15106	1.9
330.12415	0.8
330.15854	2.4
333.12338	1.8
335.10257	28.7
336.10931	2.2
337.11713	2.9
339.13391	100.0
340.10495	7.3
340.14133	4.0
341.11469	1.0
341.15198	1.2
342.12405	0.7
342.16116	1.6
343.13171	0.6
344.13937	1.4
344.17731	0.8
349.11734	4.7
351.13367	6.3
352.10568	3.4
352.14206	0.9
353.11276	1.8
353.14822	0.9
354.12112	17.8
354.16034	1.9
355.12863	36.0
356.13693	2.1
356.17603	1.0
357.14926	0.6
358.15448	1.5
365.11401	0.9
366.12305	0.6
367.12885	95.6
368.13470	3.5
368.17337	0.8
369.14569	1.3
370.15448	1.0
372.17181	1.0
374.15027	0.8
377.11411	1.6
381.14594	2.5
382.15598	1.9
383.12207	0.6
383.16550	1.3
384.17294	0.9
385.13962	0.9
386.14890	1.7
386.19128	1.0
388.16641	0.9
390.18005	0.6
395.12408	1.8
398.18890	0.9
399.15616	1.7
400.16623	1.5
402.18307	0.8
414.18292	3.3
416.15903	1.5
418.17429	2.6
426.18082	0.9
428.15967	1.0
431.18243	0.7
432.19308	1.1
433.19559	0.6
442.17453	4.2
444.19473	1.5
446.16739	0.9
458.20871	2.9
459.17902	1.3
460.18539	1.8
468.19278	0.7
470.17111	10.4
474.20319	8.2
478.19962	0.9
484.18716	2.4
486.20215	7.1
488.18213	2.2
492.21320	1.1
493.22333	1.0
502.19696	13.3
503.20450	1.2
512.18011	3.5
520.20721	10.1
521.21533	1.4
530.19257	19.8
531.20081	0.8
534.22394	14.4
546.18951	1.8
547.19434	1.3
562.21863	70.4
563.22211	2.7
574.18219	10.8
578.21289	6.8
588.19556	3.0
606.20819	63.3
607.21283	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	606.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23281	0.6
59.98278	0.7
62.06049	1.1
65.03903	1.6
67.05478	1.6
69.07038	0.8
69.28100	7.0
77.25757	0.9
79.05498	4.2
80.04975	1.2
81.06995	1.9
87.00761	0.9
87.25332	0.7
91.05495	5.0
93.05755	1.3
93.07039	6.8
94.06576	5.5
94.51233	0.6
95.04925	1.5
95.08572	1.3
98.20758	1.0
103.05481	3.9
105.05733	0.8
105.06978	2.5
106.06506	1.2
106.07288	0.8
107.07278	1.1
107.08542	2.1
108.04430	1.3
108.08118	8.1
108.08778	1.3
109.06479	0.9
109.10139	1.3
118.06483	3.2
119.07252	1.4
119.08511	2.3
120.04480	6.9
120.08113	27.0
121.10090	1.3
122.06049	16.4
122.09672	3.9
123.97003	0.7
124.07581	0.7
127.03901	0.9
129.07027	0.8
131.08537	1.6
132.08064	1.8
133.10072	1.4
134.06049	1.6
134.09593	1.5
136.07585	14.9
138.09108	1.7
143.08533	0.9
145.10077	2.1
146.06012	7.4
146.45470	0.8
147.04393	1.7
147.11658	1.2
148.07576	44.8
150.09120	5.0
152.07014	2.8
152.10670	0.7
157.10089	1.1
159.11609	1.1
160.07549	1.3
161.13268	1.3
162.05399	0.9
162.09119	1.6
163.03856	0.7
164.07053	3.1
166.08646	3.6
171.11647	0.9
173.13249	1.8
174.09134	1.1
176.07240	0.8
176.10612	2.1
180.10158	3.6
182.09674	1.1
184.09886	1.6
186.09164	1.0
188.07021	1.3
188.15083	1.3
190.04961	2.5
190.13058	1.1
191.14355	1.3
194.08127	2.6
194.09651	0.8
195.09120	1.4
196.09753	1.1
197.10727	3.9
197.13213	1.4
199.14763	1.1
204.06401	1.1
207.09035	0.9
208.09724	3.0
209.10683	3.8
210.09262	1.1
210.11446	1.6
211.08655	2.5
211.12325	1.6
212.09412	3.4
213.10245	1.0
215.00497	0.7
218.08174	0.9
219.09055	1.1
220.09908	0.9
221.10750	3.0
222.07855	2.1
222.11467	1.7
223.08710	5.6
223.12239	3.9
224.09383	4.3
224.12967	1.3
225.10226	9.9
226.10956	1.7
227.11850	5.5
232.06093	1.1
232.09953	1.0
233.10750	4.2
234.07724	1.2
235.08627	6.2
235.12276	2.6
236.09425	5.6
236.13133	1.2
237.10246	31.9
238.11020	6.8
239.08162	4.4
239.11778	11.4
240.12350	1.1
241.09686	3.6
247.08691	1.9
248.09457	6.2
249.10223	21.1
250.11003	8.3
251.08128	11.4
251.11790	22.0
252.08841	6.0
252.12405	4.6
253.09734	15.4
253.13310	1.6
254.10333	1.3
255.11296	11.6
258.07559	1.6
261.10260	14.7
262.11087	5.0
263.08142	3.3
263.11804	22.6
264.08801	2.0
264.12476	1.6
265.09723	26.0
265.12827	1.1
266.10431	5.0
266.13214	0.9
267.07233	0.8
267.08224	1.1
267.11298	19.6
268.12106	1.8
269.09280	0.9
269.12830	3.2
271.10846	4.1
273.12405	1.2
275.08255	1.3
275.11719	1.6
276.08966	3.5
277.09705	9.2
277.12988	1.7
278.06573	1.4
278.10513	11.1
279.07703	8.4
279.11267	33.2
280.12021	6.3
281.09219	5.8
281.12827	6.8
282.09988	2.7
283.10800	18.9
283.14041	1.0
285.12305	1.5
287.05643	1.0
289.06546	1.5
289.09720	25.3
290.10471	3.5
291.08035	1.4
291.11307	17.6
292.08316	1.2
292.11844	1.0
293.09174	7.2
293.12851	10.2
294.10007	10.5
294.13440	1.6
295.10791	14.8
295.14197	1.6
296.11511	8.0
297.08960	1.4
297.12335	4.3
299.10211	4.3
302.12976	0.9
303.11224	1.3
305.09247	1.9
305.12903	2.0
306.10074	1.6
307.10782	11.6
308.11404	3.1
309.12292	7.4
310.13077	2.6
311.10229	20.1
311.13901	7.0
312.11102	7.8
313.11902	2.4
314.12769	3.8
314.16156	0.7
315.13660	1.0
316.14587	1.9
317.09177	4.5
321.08652	2.6
321.12378	2.6
323.10202	3.4
323.13907	7.5
324.11014	5.6
325.11780	5.7
326.12711	10.8
326.16522	0.8
327.13406	10.6
328.14462	2.0
329.15082	0.9
330.16013	1.4
333.12354	2.0
335.10300	29.5
336.10956	1.6
337.08157	0.9
337.11874	3.1
338.12894	0.8
339.10031	3.9
339.13397	100.0
340.10489	8.3
340.14282	4.4
341.11377	0.9
341.15082	1.7
342.16086	1.3
343.13058	1.6
349.11795	4.5
351.13431	6.0
352.10571	3.1
353.11368	2.6
354.12082	19.0
354.15939	1.9
355.12912	39.2
355.16788	1.9
356.13675	2.0
358.15564	2.0
367.12915	92.5
368.13367	3.6
369.14612	1.0
370.15463	1.4
372.17078	2.0
377.11066	1.1
381.14426	1.9
382.15527	2.1
383.16208	1.7
384.13000	1.4
385.13708	1.0
386.14575	1.5
386.18964	1.0
394.95187	0.8
395.12201	2.2
399.15475	1.6
400.16516	1.6
414.18192	3.1
416.16080	2.0
418.17746	2.3
419.48053	1.0
438.30704	1.0
442.17676	3.8
444.19885	0.9
446.16672	1.0
458.20901	4.2
460.18716	2.5
470.17102	10.6
474.20410	6.9
479.19571	1.0
484.18756	1.3
486.20114	7.8
488.18121	3.2
489.19128	1.3
502.19769	13.3
512.17999	3.7
520.20782	9.7
521.21509	2.0
530.19238	20.9
534.22369	15.3
547.19440	1.6
562.21869	73.1
563.21960	2.3
574.18164	12.2
578.21545	6.6
588.19623	3.3
606.20825	69.4
607.21423	3.0
611.03986	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	606.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.8
56.04483	0.6
58.59933	0.5
60.49324	0.5
65.03918	1.0
67.05470	1.2
69.99593	1.0
69.99950	2.1
75.19212	0.5
79.05490	5.1
80.04965	1.7
81.07024	1.0
82.06525	0.6
83.90384	0.5
91.05487	3.3
92.04948	0.9
93.05757	1.1
93.07050	3.8
94.06567	5.3
95.04925	1.2
95.08537	0.7
103.05471	4.5
105.05759	1.0
105.06981	0.9
106.06488	0.9
107.07324	1.4
108.04437	0.8
108.08119	9.3
110.09624	1.7
117.05714	0.7
118.06543	2.8
119.07271	1.3
119.08522	0.6
119.78713	0.5
120.03769	0.5
120.04477	6.6
120.08110	28.3
120.88847	0.7
121.10107	0.7
122.06040	16.7
122.09657	4.6
124.07565	0.8
130.06538	0.6
131.07280	0.6
131.08507	0.5
132.08025	1.8
134.05940	1.6
134.09596	0.9
136.07581	14.7
138.05473	1.1
138.09059	2.4
143.07233	0.6
144.08083	0.9
146.06021	7.3
146.09590	0.9
147.11674	0.7
148.07576	43.8
150.05484	1.1
150.09167	5.9
152.07095	3.8
152.10628	0.6
154.04973	0.6
157.10004	0.6
160.07526	1.3
162.05479	1.1
162.09111	0.9
164.07086	2.9
164.08226	0.5
164.10658	1.1
166.08630	4.5
167.07191	0.7
172.03873	0.9
172.07631	0.6
174.05399	0.5
174.09146	0.8
176.10681	1.7
180.10165	2.7
182.09584	1.6
184.09941	0.9
186.05341	0.6
186.09077	0.8
188.07019	1.1
190.04970	3.0
192.10039	0.8
194.08096	1.4
194.09731	1.0
195.09035	1.1
196.09918	1.3
197.10716	3.7
199.08571	0.9
199.12334	1.4
205.07394	0.7
205.15814	0.6
207.09203	1.1
208.09702	2.8
209.10748	3.6
210.09445	0.6
210.11481	1.7
211.08638	2.3
211.12260	2.5
212.09450	3.4
213.10172	1.8
216.06487	0.8
218.08157	1.7
219.09148	0.9
220.09917	1.8
221.10646	3.7
222.07823	2.0
222.11519	1.3
223.08638	6.0
223.12212	4.3
224.09422	4.6
224.12895	1.1
225.10239	10.5
226.10922	2.4
227.11833	5.0
232.09763	0.8
233.10760	5.6
234.11430	1.6
235.08682	6.1
235.12292	2.3
236.09409	6.7
237.10228	28.8
238.10959	5.9
239.08191	4.5
239.11772	10.0
240.12508	1.0
241.09752	3.3
246.11377	0.8
247.08603	2.0
248.09413	5.9
249.10240	18.2
250.07199	1.1
250.11000	7.3
251.08133	11.6
251.11771	22.0
252.08829	5.2
252.12537	3.6
253.09726	15.8
253.13358	2.2
254.10437	1.3
255.11295	12.2
258.07501	0.8
261.10260	15.1
262.11029	6.4
263.08224	2.6
263.11813	20.3
264.08911	2.7
264.12387	1.1
265.09741	26.6
265.12759	1.0
266.10486	5.6
267.11292	19.7
268.11902	2.3
269.09293	1.5
269.12799	2.1
271.10742	4.5
275.07996	1.2
275.11783	0.8
276.08990	2.4
277.09769	9.7
277.13251	1.7
278.07181	1.1
278.10498	10.8
279.07681	7.5
279.11267	36.8
280.12021	6.5
281.09180	7.9
281.12790	7.5
282.09958	2.1
282.13028	0.6
283.10803	15.1
283.13971	1.1
284.11414	0.9
285.12332	2.0
289.09714	26.3
290.10370	3.4
291.11285	16.0
292.08456	1.3
292.11749	0.7
293.09164	7.1
293.12799	9.4
294.10034	9.5
294.13400	1.6
295.10840	13.8
295.14258	1.7
296.11569	7.2
297.08682	2.2
297.12299	4.6
298.09717	0.7
299.10242	3.2
299.13504	0.8
303.11066	1.1
305.09183	1.6
305.12781	1.3
306.09967	2.1
307.10767	11.0
307.14212	0.9
308.11493	3.4
309.08789	1.4
309.12326	8.5
310.13052	2.8
311.10229	18.9
311.13901	6.6
312.11090	7.6
312.14713	1.3
313.11880	2.5
314.12616	2.8
315.13657	1.1
316.14450	1.2
317.09344	3.8
319.10709	0.7
321.08621	2.9
321.12347	2.9
323.10211	3.6
323.13919	7.8
324.10968	5.0
325.11768	5.4
326.12671	10.9
326.16302	0.7
327.13403	10.6
328.14392	2.1
329.15189	1.3
330.16058	1.3
333.12549	1.7
335.10284	29.8
336.10806	1.9
337.11740	3.7
338.12787	0.7
339.10138	3.9
339.13403	100.0
340.10452	6.7
340.14194	4.6
341.15155	1.6
342.12308	1.0
342.16043	1.4
343.16916	0.7
344.13901	2.0
344.17593	0.7
349.11856	3.6
351.13422	6.1
352.10461	2.4
352.14261	0.8
353.11240	1.6
353.15128	1.3
354.12140	19.1
354.16046	2.7
355.12881	36.4
355.16629	1.9
356.13504	2.2
356.17639	1.1
358.15601	0.7
365.11420	1.3
367.12897	91.6
368.13504	3.5
368.17819	1.1
369.14441	1.0
369.18860	0.7
370.15439	1.2
372.17120	1.5
377.11139	1.4
381.14401	2.3
382.15451	2.4
383.16125	1.7
386.14679	1.1
390.18277	1.1
395.12433	1.7
398.18762	1.3
399.15765	1.4
400.16464	3.0
414.18250	2.0
416.16193	1.6
418.17227	2.9
426.18109	1.5
427.15445	0.8
428.15921	1.1
430.17770	0.7
442.17697	4.4
444.19684	1.0
446.16653	1.1
458.20740	3.8
459.18149	1.0
460.18994	1.3
461.19528	0.8
462.19727	0.8
470.17111	9.9
471.17438	0.9
474.20413	6.1
484.18716	1.5
486.20255	10.5
488.18112	2.0
489.18961	0.7
492.20908	0.8
493.22437	0.7
502.19803	12.6
503.20435	1.0
512.17834	3.8
520.20752	9.5
521.21198	0.9
530.19281	20.4
531.19635	0.8
534.22339	16.5
535.22852	0.6
546.18475	1.9
547.19611	1.8
562.21863	70.7
563.22003	2.4
574.18335	9.4
575.18646	0.7
578.21204	6.1
588.19800	1.9
606.20844	64.9
607.21191	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	605.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.3
51.02386	1.4
53.03942	5.4
53.04329	1.3
55.01867	4.2
55.05295	1.5
55.05518	17.4
57.03440	6.2
59.05005	2.6
65.03939	4.2
67.05511	100.0
69.03440	33.4
69.07076	11.8
71.01340	1.9
71.04986	5.6
71.59690	2.2
79.05497	36.1
81.03429	22.4
81.07064	38.9
83.04984	8.0
83.08621	10.7
85.02916	4.3
85.06548	3.7
90.92316	1.4
91.05488	41.4
93.07053	38.0
95.04977	12.5
95.08611	26.6
97.02900	5.4
97.06526	4.2
97.10178	5.4
99.04437	2.7
99.08097	2.6
103.03968	1.3
103.05463	2.0
105.04559	1.3
105.07044	25.2
107.04965	4.3
107.08598	16.9
109.02879	5.2
109.06536	5.9
109.10162	55.0
111.04442	5.5
111.08077	2.8
115.03925	1.2
115.05474	2.9
117.07039	14.9
118.74536	1.2
119.01129	1.2
119.08607	21.3
121.06532	3.5
121.10149	15.8
123.04433	1.5
123.08070	4.9
125.05949	1.2
125.09621	5.0
127.03940	3.6
128.06230	2.6
129.05478	1.7
129.07027	8.9
130.35269	1.4
131.04919	1.6
131.08585	16.7
133.06525	4.2
133.10129	16.3
135.08075	6.2
135.11731	8.8
137.09642	8.4
139.07538	1.1
141.07019	3.0
142.07758	1.9
142.72189	1.2
143.08569	10.5
145.06479	2.5
145.10132	11.3
147.08034	2.9
147.11703	8.7
149.09630	9.5
149.13292	1.9
151.07610	3.0
151.11194	2.4
153.09120	2.1
155.08557	6.3
155.10645	3.0
157.10121	8.3
159.08092	2.9
159.11732	10.6
161.09657	5.3
161.13191	2.2
163.07539	2.0
163.11197	4.1
165.09096	1.7
167.08572	1.8
167.10698	1.8
169.10153	5.2
171.08038	2.3
171.11708	9.2
173.09650	3.1
173.11743	14.8
173.13286	4.1
175.11218	5.3
177.12740	2.4
183.11725	3.6
185.09595	2.3
185.13289	2.5
187.11218	5.1
187.14844	1.8
189.11177	2.2
189.12743	4.7
191.10664	1.7
195.11685	1.7
197.13310	2.6
199.11139	3.3
201.12666	3.6
209.11626	1.7
209.13400	2.7
211.11351	1.7
211.14929	1.7
213.12735	1.9
213.16414	2.0
215.14398	2.0
215.17989	2.1
225.12823	1.3
227.12617	1.5
227.17926	1.5
229.12291	2.1
229.14349	17.2
231.17467	2.4
243.13829	2.3
243.17427	2.0
249.18555	2.3
253.75862	1.4
255.17519	2.2
273.18472	5.6
275.19928	1.4
287.20053	1.8
291.19614	3.2
299.14978	2.9
299.20203	1.9
317.21030	2.7
323.20129	5.1
329.21219	1.3
341.21176	7.5
347.22128	1.6
355.17520	3.7
359.21997	6.6
377.23373	1.9
415.24841	3.4
433.25992	6.2
545.21655	1.9
569.34448	2.1
587.35815	6.3
605.23199	2.8
605.36633	42.8
606.37079	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	605.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65765	3.1
55.05503	13.1
57.07079	5.0
65.03932	4.3
67.05521	18.7
69.07079	22.6
69.44325	8.6
69.44746	22.2
69.97583	3.6
71.96180	4.0
79.05497	23.0
79.19604	3.3
81.07072	43.4
83.04991	6.6
83.08624	5.4
87.00821	4.4
91.05492	41.0
93.07056	45.0
95.05009	7.3
95.08614	56.6
97.06535	17.2
97.10155	3.9
105.07037	97.6
107.08609	46.4
109.06503	6.7
109.10149	22.2
111.08092	3.9
115.05466	7.2
115.07565	14.4
117.07027	40.6
119.05014	4.6
119.08598	89.8
121.06528	13.4
121.10157	50.2
123.08080	8.1
123.11697	9.9
129.06999	14.9
130.07787	5.5
131.08582	74.5
133.10150	57.4
135.08075	9.5
135.11711	21.6
141.07024	6.6
142.07785	16.0
143.08563	42.2
144.09319	9.3
145.10124	100.0
145.11281	4.8
147.07996	6.1
147.11697	39.2
149.09631	7.5
149.13254	18.2
155.08545	19.0
156.09364	14.5
157.10155	56.6
158.10861	5.2
159.08040	5.8
159.11699	91.2
161.09616	14.1
161.13234	28.6
163.03995	6.5
163.11203	8.4
163.14847	7.8
165.09097	4.7
167.08557	6.8
168.09390	8.9
169.10162	17.7
170.10873	12.1
171.11711	40.4
173.09671	5.4
173.13269	85.1
175.11308	9.2
175.14821	43.0
177.12813	7.4
177.16396	67.9
181.10127	6.5
182.10921	7.6
183.11716	39.3
185.13278	53.3
187.11185	12.9
187.14851	64.6
189.12726	18.7
189.16385	9.3
191.14336	33.3
195.11859	8.5
197.13300	49.7
199.11163	6.0
199.14818	56.0
200.22162	4.2
201.07506	7.7
201.12740	18.8
201.16368	18.0
203.14337	70.0
203.17986	6.3
205.15913	75.6
209.13205	7.1
211.14816	10.7
213.12767	6.3
213.16443	14.8
215.14378	22.2
215.17923	7.8
217.15927	16.4
221.15363	30.0
223.14902	6.9
227.17969	6.8
229.16052	5.3
231.13817	7.6
243.13806	12.6
245.15472	5.7
249.16438	5.2
319.15359	10.3
339.14340	8.2
365.16034	4.4
371.27136	4.0
383.27051	4.7
389.28641	5.9
401.28372	16.9
407.29605	7.0
417.80225	3.7
419.29605	24.3
429.27884	5.6
437.30365	11.9
439.32651	4.4
447.28995	13.1
465.30032	14.7
505.29083	4.5
523.30475	8.8
551.29858	12.0
569.30939	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	605.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64886	2.5
55.05515	4.1
62.59375	2.6
64.21818	2.6
67.05492	9.8
69.03424	4.0
69.07076	6.9
70.65448	5.8
70.65842	5.7
73.41566	2.7
79.05499	15.4
81.07065	17.4
83.08613	3.7
89.90821	2.9
91.05476	11.7
93.07041	22.3
94.06566	4.2
95.04961	3.2
95.08614	17.8
97.06516	7.2
103.05494	8.0
105.07038	35.3
106.99657	2.9
107.08617	27.4
108.08154	7.3
109.06537	7.6
109.10150	8.0
111.08086	3.9
115.05529	3.6
115.07530	6.4
117.07042	9.4
119.08595	49.9
120.04520	5.2
120.08114	23.2
121.06520	7.6
121.10172	15.3
122.06095	14.4
123.08088	10.6
125.09581	4.0
128.06239	5.7
129.06966	6.8
131.04939	5.5
131.08598	32.7
133.10143	33.6
135.08078	5.0
135.11688	7.2
136.07561	14.8
138.98730	3.4
141.06975	4.1
142.07814	9.1
143.08543	18.2
145.02701	3.3
145.10135	47.1
146.06003	4.6
147.08054	5.4
147.11700	18.9
148.07608	44.7
149.09599	6.7
149.13255	4.8
150.09084	3.6
152.07112	4.1
155.08556	13.1
156.09395	8.3
157.10158	29.4
159.11703	30.2
161.09596	5.7
161.13223	17.3
163.11172	3.9
163.14842	7.9
166.08681	3.3
167.08672	3.3
168.09355	4.7
169.10155	14.7
170.10901	7.8
171.11710	22.3
173.13281	43.1
175.11214	7.5
175.14851	15.9
175.16156	3.1
177.05545	3.1
177.12758	3.7
180.10258	3.8
181.10086	5.4
182.10976	7.0
183.11729	16.9
185.13266	23.3
187.11185	5.9
187.14830	25.7
189.12773	9.8
189.16422	6.8
191.14351	24.4
194.08163	3.0
195.11717	3.6
197.13281	36.5
199.14894	16.2
201.12788	9.3
201.16388	5.7
203.14294	16.5
205.15875	6.8
208.09892	3.3
209.13295	7.1
211.14816	7.7
213.16385	7.2
215.14355	9.5
217.15883	7.3
221.10818	3.4
221.15416	19.4
223.08623	6.2
223.12460	3.9
224.09441	4.5
225.10181	5.4
225.12566	3.0
227.11813	6.3
231.13661	4.3
233.15379	4.2
235.08727	4.7
236.09457	4.8
236.89233	3.0
237.10275	22.8
238.10951	5.0
239.08205	5.7
239.11815	12.6
241.09961	3.4
243.13727	6.6
248.09471	4.3
249.10223	16.9
250.11104	5.4
251.08031	7.5
251.11748	19.1
252.08922	5.1
252.12489	3.4
253.09669	11.8
255.11240	10.0
261.10345	8.0
262.11005	5.3
263.11774	16.5
264.09033	3.4
265.09775	22.8
266.10614	3.9
267.11331	15.8
269.12778	4.9
277.09753	5.7
278.10498	11.6
279.07880	7.3
279.11298	36.2
280.12003	6.3
281.09335	4.5
281.12689	4.9
283.11020	13.4
289.09723	22.8
291.11285	18.1
293.09232	5.5
293.12711	6.6
294.09976	12.4
295.10788	9.0
296.11469	5.1
307.11002	5.7
308.11423	5.3
309.12244	4.9
311.10245	14.0
311.13660	6.7
312.11133	5.9
314.12735	4.2
317.09088	4.4
319.15155	6.2
323.10391	4.9
323.13901	4.3
324.11023	7.8
325.12012	3.9
326.12717	7.1
327.13345	10.7
330.16434	3.8
335.10324	27.6
339.13513	100.0
340.10626	8.0
351.13638	4.7
354.11960	15.7
355.12820	25.6
367.12903	77.3
372.17233	3.6
401.28412	7.6
419.29425	7.8
427.76025	2.9
435.29205	5.7
437.30499	10.3
447.28946	7.5
455.31808	5.3
465.29684	4.0
470.16852	8.7
474.20068	8.8
483.31018	4.2
486.20224	10.5
502.19662	9.0
512.17896	6.5
520.20892	10.2
523.30121	5.1
530.19287	17.7
534.22131	10.0
562.21973	64.2
569.31018	4.9
574.18164	12.0
578.21454	7.9
606.20911	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	605.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45020	3.7
53.03945	4.9
54.39003	3.1
55.05499	9.9
55.33375	2.9
57.07074	7.1
67.05502	14.6
69.07076	15.8
79.05486	24.1
81.03411	5.8
81.07063	48.1
83.04974	9.2
83.08601	7.2
85.02890	3.7
87.00842	6.4
89.03922	9.4
91.05489	28.6
93.07044	47.5
95.04929	7.6
95.08607	42.2
97.02889	3.1
97.06535	13.0
98.21525	6.3
103.05462	21.9
104.05788	3.8
105.07029	83.1
107.08601	48.5
109.06526	3.8
109.10148	17.7
111.08128	4.0
115.07575	17.0
117.03370	16.5
117.07011	23.1
118.03703	9.6
119.08588	90.4
119.09451	5.9
121.06516	4.9
121.10144	35.4
123.08065	7.8
123.11699	12.0
125.09635	4.5
127.03934	4.6
129.06999	12.8
130.07765	6.0
131.04932	53.3
131.08577	64.3
132.05267	19.4
133.10138	43.9
135.08051	8.5
135.11708	14.1
137.09631	4.2
141.07033	7.7
142.07767	11.3
143.08580	36.8
144.09369	5.6
145.02844	45.0
145.06487	5.6
145.10127	100.0
146.03180	15.3
147.08040	6.4
147.11694	47.7
149.05984	12.2
149.09602	8.2
149.13210	10.6
155.08539	15.0
156.09344	9.9
157.10136	53.6
158.10878	9.9
158.40265	3.3
159.11700	70.3
161.09639	11.9
161.13255	27.7
163.11203	10.6
163.14845	6.7
167.08725	3.6
168.09418	6.1
169.10170	19.9
170.10909	11.9
171.11699	43.0
172.12436	4.1
173.09593	4.9
173.13271	86.5
173.14688	6.7
175.07497	3.2
175.11197	9.5
175.14838	37.4
177.05478	81.8
177.12791	7.3
177.16420	46.8
178.05797	34.1
181.10133	8.3
182.10861	9.3
183.11673	37.1
184.12445	5.3
185.13251	40.1
187.11177	7.7
187.14809	45.2
189.12732	16.4
189.16400	13.4
191.14308	18.2
195.11722	10.0
197.13271	41.6
199.11221	4.6
199.14812	44.8
201.07602	8.0
201.12718	18.4
201.16447	8.8
203.14310	57.4
203.18027	4.2
205.15884	86.5
205.17809	4.4
207.11697	4.3
209.13333	5.3
209.15254	4.1
211.14844	10.2
213.16357	13.8
215.14339	21.7
215.17896	5.3
217.15904	13.8
219.13771	4.5
221.15369	11.3
223.14851	3.9
225.16382	7.1
227.14275	3.7
229.15825	4.4
231.13788	6.5
233.13391	3.8
237.16351	4.9
239.17892	4.4
243.13835	6.0
243.89685	3.4
245.15460	5.6
255.17407	3.6
261.14651	6.1
312.12241	14.0
313.12589	14.1
319.15417	3.8
339.14481	9.7
365.16055	4.2
373.28787	4.6
383.27527	4.4
389.28818	3.4
401.28458	13.0
403.30145	4.6
417.27832	3.9
419.29361	11.0
429.27832	5.8
429.91409	3.8
437.30307	5.9
443.31433	7.7
447.28946	17.1
465.30081	8.8
505.29276	4.7
523.30444	11.2
551.29889	9.9
569.30890	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	605.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
54.62357	1.1
55.05516	8.3
57.07081	3.0
65.03930	1.7
67.05505	10.0
68.99800	0.9
69.03427	4.2
69.07074	9.0
69.31662	7.5
69.32079	2.6
71.04995	1.4
77.03929	1.4
79.05506	11.6
81.03416	5.8
81.07068	27.5
83.04990	6.3
83.08620	3.5
85.02919	2.6
86.06083	2.7
87.00861	5.2
91.05482	28.0
91.12016	1.3
93.07053	21.6
95.04996	3.8
95.08617	28.8
97.02899	5.5
97.06546	7.7
97.10197	1.5
98.20699	1.9
99.04470	2.1
99.08123	1.9
103.05489	1.9
105.07037	46.4
106.07438	1.2
107.07878	1.8
107.08601	32.8
109.02885	5.9
109.06525	5.1
109.10167	15.9
111.08118	1.5
115.05450	2.3
115.07581	9.7
116.10752	3.8
117.07040	13.8
117.64270	1.0
119.04958	21.6
119.08588	51.5
121.06523	5.6
121.10148	21.4
123.08076	4.7
123.11726	6.8
127.03924	6.9
128.06224	3.4
129.06999	5.5
130.07759	3.0
131.04961	1.9
131.08574	39.9
133.10138	26.3
135.04482	1.3
135.08115	5.6
135.11723	9.2
137.09645	3.0
141.07008	3.2
142.07777	7.7
143.08563	18.9
144.09344	4.2
145.06433	1.6
145.10135	50.8
146.10751	1.0
147.04420	100.0
147.08058	3.4
147.11688	23.4
148.04799	1.9
149.06017	2.0
149.09621	4.1
149.13277	7.9
151.11259	1.3
153.07021	1.4
154.07800	2.8
155.08574	9.7
156.09328	7.9
157.10136	34.0
158.10936	3.3
159.08047	2.5
159.11707	37.5
161.09579	7.6
161.13287	13.0
163.03864	1.1
163.11217	3.2
163.14891	3.2
165.05537	6.4
165.09203	1.2
167.08577	2.1
168.09363	5.0
169.10104	12.4
170.10927	6.8
171.11707	23.9
172.12578	2.4
173.09653	4.1
173.13274	44.5
174.13649	1.3
175.11215	3.5
175.14835	21.5
177.12802	2.8
177.16405	22.7
177.56169	1.1
181.10136	5.2
182.10956	6.2
183.11708	22.1
184.12517	2.2
185.13278	25.7
187.11191	3.9
187.14833	34.9
189.12744	10.4
189.16408	6.9
191.14326	7.7
193.10205	1.6
193.12262	1.6
193.15941	2.7
195.11708	4.6
197.13271	22.7
199.11250	2.2
199.14842	28.1
201.07608	3.9
201.12749	10.2
201.16364	9.6
203.14343	30.0
203.16177	2.3
203.17999	2.4
205.15895	47.7
206.16270	1.3
207.11804	1.7
207.13852	1.3
209.13312	4.2
209.15388	3.3
211.11250	1.4
211.14819	5.1
211.16805	1.4
213.12689	2.4
213.16339	8.4
214.18007	1.9
215.10873	1.7
215.14391	12.9
215.18129	4.3
217.12326	1.6
217.15932	7.0
220.12270	1.4
221.13367	2.1
221.15303	8.3
223.14865	3.4
225.12740	1.6
225.16455	2.3
227.14371	1.7
227.17958	2.7
229.12306	1.2
229.15927	1.9
231.13918	2.2
231.17433	3.6
233.15410	1.7
237.16461	2.5
239.17972	2.1
243.13770	6.1
245.15401	1.6
247.13205	1.3
249.16307	1.4
251.17923	1.8
261.14999	3.7
265.19604	1.9
291.08655	1.6
303.21307	1.5
307.15506	1.4
317.22607	1.8
319.15286	2.3
327.23788	1.2
339.14355	4.1
341.21204	1.2
343.16852	1.3
344.24417	2.6
345.24884	3.1
347.15326	1.3
365.16370	1.7
373.29117	3.0
389.28552	2.2
391.30182	1.4
395.09787	23.0
401.28574	7.2
403.30206	1.9
405.27966	1.0
419.29575	7.1
429.27856	3.1
435.28995	3.3
437.30643	6.8
447.29156	7.3
455.31448	2.5
465.29993	7.8
507.29449	1.3
523.30408	6.0
539.30176	1.6
541.31708	2.0
551.30011	4.6
569.31158	8.7
605.20264	1.7
605.32227	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	605.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.5
57.07084	3.4
65.80629	2.4
67.05505	13.9
69.03401	4.4
69.07056	9.9
69.32355	26.0
73.56622	2.3
79.05488	14.1
81.03428	4.5
81.07058	31.4
83.04971	7.4
83.08611	6.3
87.00834	6.7
91.05486	32.9
93.07053	29.5
95.04971	3.6
95.08611	33.6
96.22099	2.4
97.02872	4.6
97.06519	10.6
105.07043	58.3
107.08594	45.3
109.02879	8.5
109.06508	7.0
109.10173	20.0
115.07569	11.5
117.07027	20.3
119.04970	20.0
119.08591	64.8
121.06514	5.8
121.10151	30.5
123.08060	6.4
123.11703	7.5
127.03852	4.2
127.65411	2.6
128.06247	3.3
129.07028	12.1
130.07745	3.5
131.08588	53.6
133.10144	36.1
135.08043	7.4
135.09464	2.4
135.11676	9.3
141.06947	4.0
142.07774	11.2
143.08586	31.9
144.09338	6.2
145.10136	75.4
146.10576	3.4
147.04416	100.0
147.08047	4.7
147.11694	34.6
149.09612	4.5
149.13194	5.8
155.08588	16.5
156.09335	11.6
157.10141	44.6
158.10872	5.1
159.08070	4.2
159.11717	55.0
161.09622	7.9
161.13245	22.0
163.11211	4.5
163.14836	4.5
165.05492	6.1
165.06848	2.7
167.08507	3.3
168.09332	8.5
169.10133	17.0
170.10883	8.0
171.11687	31.5
173.09615	4.9
173.13277	66.5
173.15686	2.5
175.11201	9.7
175.14848	25.0
177.12808	5.8
177.16408	39.5
179.77600	2.2
181.10089	3.3
182.10936	5.5
183.11699	31.4
184.12390	2.8
185.13292	32.0
187.11208	6.9
187.14845	62.0
189.12753	11.4
189.16461	8.3
191.14316	11.4
193.15871	3.1
195.11710	6.4
197.13261	35.0
199.11134	4.0
199.14832	39.8
201.07564	3.8
201.12712	17.9
201.16336	13.5
203.14333	48.4
203.17929	3.3
205.15892	71.3
207.13904	3.1
209.13327	5.3
209.15263	6.1
211.14970	5.3
211.16882	3.4
213.12753	5.7
213.16350	12.2
215.14384	21.2
215.18190	4.6
217.15982	12.4
219.13950	2.8
221.13400	2.9
221.15376	14.3
223.14813	2.6
225.12753	2.8
225.16441	4.6
227.17989	4.6
229.12340	3.2
231.13811	4.8
231.17403	5.6
233.15381	4.0
243.13786	8.6
261.14612	5.1
319.15298	6.1
339.14377	7.2
365.15881	4.9
367.48459	2.9
373.29202	3.4
383.27234	5.5
395.09720	20.8
397.65250	2.6
401.28430	10.8
419.29419	15.5
420.61432	3.0
429.28009	3.5
435.28894	5.2
437.30450	7.2
447.29224	15.3
465.30075	9.1
505.29440	5.0
523.30286	10.8
551.30011	5.3
569.31305	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	604.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01880	1.1
55.05512	4.2
57.03446	2.2
62.06097	100.0
62.74859	0.8
66.07989	1.0
67.05515	11.4
67.31727	0.9
69.03435	4.2
69.07068	4.5
71.05004	5.1
71.59692	1.3
73.02922	1.5
79.05506	13.2
81.03424	5.0
81.07066	15.5
83.04993	1.6
83.08642	2.3
85.02908	7.1
85.06516	1.4
86.06081	2.9
87.00868	1.3
91.05502	11.0
93.07053	12.6
95.04990	2.3
95.08622	11.3
96.08125	1.1
97.02892	3.1
97.06572	2.0
97.10175	1.2
98.06073	3.2
99.04452	2.1
99.08097	1.9
105.01874	1.3
105.07041	8.4
107.04966	1.5
107.08598	10.7
109.02899	3.5
109.06509	1.2
109.10192	5.2
116.10751	6.0
117.07038	3.3
119.08591	9.3
120.08186	1.2
120.80443	1.0
121.10156	7.0
123.11703	2.0
127.03929	2.7
129.07001	1.8
131.04968	1.0
131.08578	4.6
133.10167	6.7
135.11702	4.5
136.53223	1.0
138.09209	1.1
142.08678	1.7
145.10178	4.2
147.04416	1.6
147.11703	5.5
149.13264	3.0
157.10143	1.4
159.11729	3.4
161.13277	3.5
163.14874	1.4
171.11642	1.9
173.13263	3.7
175.14847	4.0
186.46236	1.0
187.14861	2.0
189.12749	1.0
199.14706	1.1
201.16443	1.3
203.17868	1.4
214.18163	1.8
238.18245	1.3
241.19632	1.9
242.21233	1.5
250.21642	2.2
252.19608	1.4
259.20596	4.1
264.23453	2.1
268.22781	8.2
274.00754	1.1
277.21606	2.8
279.39706	1.0
280.22824	2.8
302.24927	1.1
305.09448	1.1
308.22260	1.2
308.27051	1.0
320.25867	65.5
321.24103	1.7
326.23303	3.2
338.22742	1.0
338.26923	40.8
344.24316	7.0
356.27982	51.5
357.28177	1.5
442.31894	2.0
544.65179	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	604.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01873	3.5
55.05521	10.9
55.66842	1.8
57.03446	2.6
60.04544	2.0
61.02921	2.6
62.06098	100.0
67.05516	13.6
69.03425	9.9
69.07077	10.0
69.62465	2.9
69.62877	8.0
70.06602	2.7
71.04955	1.8
71.08642	1.9
73.46385	1.6
74.05342	1.4
79.05505	13.5
81.03416	6.5
81.07068	19.8
83.04981	3.3
83.08620	6.6
85.02904	9.4
85.06533	2.5
86.06092	12.5
87.00813	2.0
91.05486	10.5
93.07062	19.4
95.04975	3.2
95.08612	11.3
96.08128	2.5
97.02895	3.9
97.06535	7.5
98.06062	4.8
98.09695	3.9
98.21468	3.5
99.08069	3.9
100.38555	1.4
105.07041	12.7
107.08617	11.6
108.08120	1.9
109.02894	2.7
109.06522	1.9
109.10155	4.8
111.08099	3.0
113.05988	1.7
114.89919	2.0
116.10748	20.2
117.06992	2.3
119.04993	2.4
119.08587	9.3
120.08073	1.5
121.10150	11.0
122.10493	1.6
123.11712	2.3
125.00034	2.8
125.09650	3.9
127.03917	6.3
129.07010	2.9
131.08588	5.1
133.10153	11.9
135.11736	8.0
137.09596	3.2
142.08647	2.9
143.08664	1.9
143.10683	10.2
145.10098	3.9
147.04416	7.8
147.11710	9.5
148.04749	2.2
149.09671	2.3
149.13251	4.6
155.58208	1.7
157.10152	3.8
159.11778	1.7
161.13234	4.0
163.11145	1.7
163.14859	2.2
165.12755	3.3
167.55219	1.7
171.11703	2.9
175.11208	4.3
175.14836	1.7
184.07353	3.3
191.14267	2.3
208.17020	1.6
214.18097	3.3
217.19479	2.3
228.19588	6.4
234.67447	1.7
238.18069	3.7
240.19679	4.8
248.98875	1.7
256.19189	2.6
259.20532	3.1
271.06073	4.6
272.06403	6.2
277.21579	4.0
286.20279	3.0
290.07922	1.6
302.24692	3.4
303.23227	3.5
308.22058	2.0
320.25858	83.0
321.23846	2.8
326.23306	8.6
338.26917	49.3
344.20306	1.9
344.24411	24.7
356.27994	47.2
396.10449	2.1
442.31500	6.5
506.29745	5.2
604.36230	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	604.333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31437	2.5
53.03942	5.8
55.01875	4.0
55.05510	10.2
57.03456	2.6
57.07049	3.0
60.97926	2.7
61.14990	2.5
62.06094	19.8
67.05505	17.6
69.03426	17.3
69.07079	19.2
71.58511	2.8
79.05495	21.4
81.03436	13.4
81.07063	42.4
83.08616	7.7
85.02909	29.7
85.06519	3.1
86.06068	14.7
87.00834	11.0
89.81606	2.9
91.05476	22.6
93.07048	25.0
95.04986	9.1
95.08611	32.7
96.08136	4.0
97.02910	11.6
97.06512	4.8
98.09734	5.1
99.04477	4.9
99.08076	5.9
105.01884	6.5
105.07038	37.2
107.08614	22.6
108.08145	3.0
109.02912	7.7
109.06493	5.5
109.10178	23.7
111.04462	2.6
116.10720	32.5
117.01857	2.8
117.07014	11.3
117.29150	2.5
119.04940	2.5
119.08593	30.7
121.06555	3.9
121.10142	15.9
123.11705	11.5
127.03928	17.1
128.06253	5.5
129.07007	6.6
131.04889	2.6
131.08585	19.4
133.10147	21.6
135.08084	5.6
135.11673	9.2
137.09644	3.2
137.13278	7.6
143.08577	8.2
145.04945	5.5
145.10123	23.2
147.04370	3.8
147.08052	4.6
147.11690	18.7
149.13278	7.1
155.08546	7.3
157.10120	14.1
159.02922	5.6
159.11746	19.6
161.13295	12.5
163.03963	3.3
163.14828	8.7
169.10165	7.5
171.11694	11.9
173.09471	3.1
173.13240	13.6
175.11226	7.3
175.14897	9.4
177.16443	3.6
183.11713	6.7
185.13223	5.1
187.14818	13.5
189.12834	4.7
189.16438	5.8
197.13278	7.8
199.14767	4.2
201.12685	3.2
201.16408	4.5
211.14867	10.1
213.16364	4.0
214.18089	16.9
215.14516	4.9
215.17947	77.7
215.19907	5.3
217.15759	4.4
225.16377	3.3
227.17892	4.6
229.15872	9.6
233.18927	12.4
255.21046	5.4
257.22705	18.8
267.21097	37.9
281.35452	2.9
285.22119	100.0
285.25259	5.6
286.22433	3.9
303.23114	17.0
322.27420	16.4
326.23257	9.7
344.24371	44.6
368.27753	3.3
442.31738	9.5
506.22208	2.8
506.29346	12.7
515.26709	3.3
533.27448	4.1
560.20447	3.5
604.18811	4.3
610.12549	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	604.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01873	3.5
55.05521	10.9
55.66842	1.8
57.03446	2.6
60.04544	2.0
61.02921	2.6
62.06098	100.0
67.05516	13.6
69.03425	9.9
69.07077	10.0
69.62465	2.9
69.62877	8.0
70.06602	2.7
71.04955	1.8
71.08642	1.9
73.46385	1.6
74.05342	1.4
79.05505	13.5
81.03416	6.5
81.07068	19.8
83.04981	3.3
83.08620	6.6
85.02904	9.4
85.06533	2.5
86.06092	12.5
87.00813	2.0
91.05486	10.5
93.07062	19.4
95.04975	3.2
95.08612	11.3
96.08128	2.5
97.02895	3.9
97.06535	7.5
98.06062	4.8
98.09695	3.9
98.21468	3.5
99.08069	3.9
100.38555	1.4
105.07041	12.7
107.08617	11.6
108.08120	1.9
109.02894	2.7
109.06522	1.9
109.10155	4.8
111.08099	3.0
113.05988	1.7
114.89919	2.0
116.10748	20.2
117.06992	2.3
119.04993	2.4
119.08587	9.3
120.08073	1.5
121.10150	11.0
122.10493	1.6
123.11712	2.3
125.00034	2.8
125.09650	3.9
127.03917	6.3
129.07010	2.9
131.08588	5.1
133.10153	11.9
135.11736	8.0
137.09596	3.2
142.08647	2.9
143.08664	1.9
143.10683	10.2
145.10098	3.9
147.04416	7.8
147.11710	9.5
148.04749	2.2
149.09671	2.3
149.13251	4.6
155.58208	1.7
157.10152	3.8
159.11778	1.7
161.13234	4.0
163.11145	1.7
163.14859	2.2
165.12755	3.3
167.55219	1.7
171.11703	2.9
175.11208	4.3
175.14836	1.7
184.07353	3.3
191.14267	2.3
208.17020	1.6
214.18097	3.3
217.19479	2.3
228.19588	6.4
234.67447	1.7
238.18069	3.7
240.19679	4.8
248.98875	1.7
256.19189	2.6
259.20532	3.1
271.06073	4.6
272.06403	6.2
277.21579	4.0
286.20279	3.0
290.07922	1.6
302.24692	3.4
303.23227	3.5
308.22058	2.0
320.25858	83.0
321.23846	2.8
326.23306	8.6
338.26917	49.3
344.20306	1.9
344.24411	24.7
356.27994	47.2
396.10449	2.1
442.31500	6.5
506.29745	5.2
604.36230	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	603.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	5.1
54.73521	5.2
55.01872	6.2
55.05507	14.3
56.67407	5.0
57.07064	8.8
67.05502	20.5
69.03425	20.6
69.07070	15.0
69.08910	5.6
70.06592	10.3
71.06898	4.8
71.59421	5.4
79.05501	34.5
81.03429	13.7
81.07061	38.2
83.08643	6.7
85.02915	16.8
85.06562	8.5
86.06152	8.4
86.09719	16.8
87.00838	25.1
91.05482	51.8
93.07054	38.4
95.04991	14.8
95.08622	44.9
97.06543	23.3
99.04472	8.4
103.05437	8.6
105.07044	92.3
107.08589	48.5
109.02851	10.5
109.06533	13.4
109.10162	19.5
115.05467	10.2
115.07608	28.9
117.07035	28.4
119.04948	12.9
119.08588	100.0
121.06481	11.4
121.10149	28.3
123.04440	5.5
123.08105	5.5
123.53517	5.1
126.83238	5.4
127.03951	15.0
128.06219	12.9
129.07005	24.3
130.07851	5.8
131.04938	12.8
131.08566	86.6
133.06500	7.3
133.10161	55.5
135.04460	6.0
135.08102	12.8
137.09619	8.1
141.07094	10.4
142.07771	20.6
143.08577	57.1
144.09322	8.8
145.10130	98.2
147.04372	31.3
147.08069	19.8
147.11699	70.7
149.09633	14.8
149.13289	23.6
153.07027	7.0
154.07829	7.9
155.08549	33.2
156.09349	13.6
157.10141	81.9
158.10941	12.3
159.08112	12.5
159.11705	72.5
161.09636	20.4
161.13281	32.1
163.03896	15.0
163.11169	6.4
165.09143	5.3
167.08556	7.5
168.09384	13.9
169.10133	29.1
171.11717	40.4
173.09642	11.5
173.13278	78.9
175.11241	11.1
175.14879	31.5
177.16400	15.0
180.08861	8.9
181.10176	6.9
182.10938	16.2
183.11757	40.1
185.13232	57.4
187.11166	13.2
187.14809	49.7
189.12785	35.9
191.14349	16.3
195.11688	9.5
197.13283	60.2
199.11092	11.8
199.14862	51.0
201.07570	10.4
201.12740	52.4
201.16402	15.9
203.14308	93.9
209.13266	13.6
211.14879	13.3
213.16380	7.2
215.10722	7.7
215.14362	46.4
217.12347	10.3
217.15836	12.3
219.13777	63.2
221.13472	7.9
221.15358	34.9
229.15944	11.4
231.13902	6.7
233.15506	8.1
235.13174	7.7
243.13794	32.5
245.15358	7.3
259.50388	5.8
261.14902	27.7
339.14377	16.5
365.15912	24.1
399.26837	12.8
417.28152	8.1
427.26599	6.9
433.27332	7.7
435.28491	7.2
445.27301	11.6
481.29895	7.4
511.26682	7.1
549.28186	7.2
555.29504	49.2
567.29095	17.6
585.30847	15.2
603.18091	11.8
603.30298	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	603.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.05508	13.2
57.07056	4.2
58.75031	3.2
63.10027	2.9
65.65211	3.2
67.05492	17.1
69.03412	3.9
69.07050	10.9
70.56236	12.2
71.04970	3.9
79.05500	20.6
81.03408	5.7
81.07063	23.8
83.04971	6.3
83.08639	4.6
85.02916	4.4
86.09665	3.4
87.00824	6.1
90.05819	3.3
91.05468	27.9
92.84035	3.1
93.07058	30.7
95.04965	15.4
95.08618	30.9
95.67997	3.2
97.06521	15.6
103.05452	6.0
105.07040	68.2
107.08599	35.9
109.06499	15.0
109.10130	14.2
111.04403	8.7
115.07549	8.2
117.07005	18.5
119.08580	86.0
120.08110	4.3
121.06493	14.8
121.10148	26.6
121.10863	4.4
123.08034	9.4
123.11704	4.8
127.07629	3.5
128.06238	7.7
129.07027	16.3
130.07745	5.5
131.08582	74.3
133.06511	7.2
133.10141	38.5
135.08057	13.7
135.11720	8.3
137.09596	5.4
141.06996	7.4
142.07748	12.4
143.08582	35.6
144.09340	6.7
145.10127	100.0
147.08052	9.9
147.11722	29.0
148.07567	8.5
149.07841	6.1
149.13242	8.8
154.07841	3.7
155.08560	24.5
156.09341	19.3
157.10133	65.6
158.10896	6.7
159.08011	6.2
159.11710	78.4
161.09628	20.5
161.13234	22.4
163.11177	12.4
163.14848	4.5
165.09131	3.3
167.08556	7.2
168.09352	10.5
169.10155	27.2
170.10873	13.2
171.11723	44.8
173.09636	13.5
173.13266	83.6
175.11194	11.1
175.14868	39.1
177.12686	19.6
181.10120	9.1
182.10910	9.4
183.11713	50.0
185.13255	59.2
187.11320	7.2
187.14801	39.2
189.12720	19.3
189.16164	4.7
191.10655	4.6
191.14307	29.6
195.11662	8.7
197.13269	57.0
199.14832	39.6
201.12752	19.3
201.16434	16.4
203.14288	21.6
205.12193	3.9
205.15857	9.1
209.13237	10.0
211.11328	6.4
211.14870	8.5
213.12753	6.2
213.16409	7.6
215.14345	22.7
217.15898	7.0
219.13725	7.4
221.13344	5.6
221.15366	6.6
223.14803	7.3
225.16382	7.1
229.15903	6.9
231.13846	8.0
233.15331	8.6
237.16447	3.9
243.13841	7.5
245.15430	5.4
247.13222	7.4
253.09077	5.0
255.17633	4.3
277.09595	4.4
289.19452	3.7
307.15305	5.4
319.10599	7.4
319.15289	5.4
320.10968	5.4
332.11075	4.2
339.14294	4.5
366.15768	4.0
367.12933	3.8
371.27267	7.9
381.26019	3.9
387.26685	6.4
389.28546	5.1
397.14185	4.2
399.26904	5.7
401.76410	3.8
417.27945	19.5
435.29117	31.2
437.26700	11.1
445.27164	15.4
451.28903	4.7
453.29843	9.3
463.28464	19.6
481.29214	7.2
499.30316	8.6
521.29077	6.0
539.30060	7.6
541.27539	5.8
559.19421	8.8
603.18323	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	603.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03946	1.2
53.75014	0.8
55.01843	0.8
55.05524	1.7
63.66576	0.7
64.22681	0.7
65.03941	1.3
67.05492	2.1
69.03437	3.8
69.07051	0.9
71.05008	0.8
71.59214	0.8
79.05485	3.0
81.03426	4.9
81.07057	3.7
83.04987	1.3
85.02905	2.7
87.00845	1.0
91.05488	12.0
93.07049	2.4
95.04972	1.2
95.08592	1.6
97.02881	5.9
99.04485	1.1
105.07042	5.1
107.04946	1.4
107.08592	9.4
109.02879	7.3
109.06548	1.2
109.10166	3.1
115.05452	1.1
117.06986	1.2
119.04952	20.3
119.08578	2.8
121.06504	1.4
121.10123	5.7
122.07268	3.1
123.04424	1.2
127.03941	7.1
131.08588	1.6
133.06476	2.7
133.10136	40.2
134.06833	0.9
135.08058	4.3
135.11732	0.7
135.20206	0.7
137.09627	24.9
145.10190	1.5
147.04416	100.0
147.11670	1.3
148.04738	1.7
149.13268	3.2
158.10959	0.8
165.05501	8.3
165.09102	0.9
173.13278	2.9
189.12778	2.2
191.03496	0.9
191.14320	15.8
213.03979	1.1
245.11859	0.7
271.06061	1.0
291.08670	1.7
299.16357	1.5
377.08557	0.8
395.09717	20.4
403.17343	4.2
585.23560	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	602.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78236	1.8
51.62666	1.8
53.03940	6.0
55.01863	6.2
55.05523	13.4
57.03431	3.6
57.07063	2.5
61.02925	3.5
67.05512	14.3
69.03434	14.9
69.07080	11.9
70.06350	4.4
70.06768	6.2
71.04993	4.2
73.02927	3.1
79.05494	13.7
80.05020	2.2
81.03425	18.0
81.07064	33.7
83.04982	2.6
83.08618	5.7
85.02914	37.8
87.00841	18.2
91.05482	30.8
93.07057	30.3
95.04954	6.5
95.08612	22.0
97.02896	19.1
97.06550	2.9
97.10155	3.3
98.21503	3.0
99.04456	8.4
103.05475	2.2
105.01865	12.9
105.07047	40.7
107.08598	29.4
109.02888	16.8
109.06516	5.7
109.10168	25.1
114.28271	2.1
116.06268	2.8
116.83054	1.8
117.01869	2.3
117.06997	9.6
119.08583	25.4
121.06470	4.6
121.10157	16.7
123.08035	3.8
123.11713	75.3
125.13285	2.1
125.56503	2.3
127.03921	28.8
128.06215	2.8
129.01787	2.1
129.07024	6.0
130.88042	2.3
131.08578	28.6
133.06525	2.4
133.10144	53.5
135.08052	5.2
135.11685	8.9
137.09621	6.9
137.13202	3.2
141.07037	2.1
143.08571	5.8
144.09312	2.5
145.04974	8.1
145.10130	16.0
147.08034	2.7
147.11716	13.8
149.09633	8.2
149.13289	4.7
151.11189	15.6
155.08647	2.4
157.10121	10.5
159.02887	7.3
159.08118	5.2
159.11687	16.9
161.09601	4.5
161.13257	8.8
163.03938	6.0
169.10130	2.3
169.12262	7.1
171.07956	2.4
171.11716	14.1
173.09570	3.1
173.13274	11.9
175.11197	5.9
175.14844	4.2
177.09073	3.7
181.12260	2.4
185.13228	12.3
187.14809	4.7
191.14301	5.5
199.14714	10.7
201.12720	2.3
201.16418	5.2
203.14401	3.2
207.13835	4.2
212.16522	6.6
213.03857	3.7
213.16400	5.6
227.14235	3.3
229.15887	2.3
231.05077	4.4
231.17464	2.5
233.15506	2.5
241.19479	4.2
245.15440	4.4
254.17618	5.1
255.21092	27.4
271.20544	4.4
272.18637	2.8
273.22055	6.5
283.20581	18.2
301.21622	100.0
319.22684	6.5
336.52576	2.1
391.22452	2.9
422.29904	2.2
440.30325	3.8
531.25574	3.7
549.26691	7.3
634.50165	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	601.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01878	3.7
55.05513	36.6
55.70507	3.1
57.07082	7.4
59.05004	3.6
59.77222	3.2
65.03960	4.8
66.94997	3.1
67.05511	38.7
69.03433	11.8
69.07076	27.1
70.63998	5.8
71.04995	3.2
79.05501	39.8
81.07063	58.9
83.04985	16.8
83.08625	44.4
85.06560	10.3
91.05485	60.8
92.05815	3.5
93.07053	86.0
93.07629	6.4
95.04971	24.5
95.08617	48.3
97.06541	19.9
99.04494	5.5
100.33382	3.1
103.05481	5.4
105.07045	89.2
107.05009	3.1
107.08607	84.4
108.08888	3.5
109.06538	21.2
109.10164	43.0
111.08080	5.9
113.09664	9.6
115.05498	6.2
116.06287	5.1
117.07037	24.4
119.08594	100.0
120.08981	3.4
121.06538	6.3
121.10153	73.7
123.08061	17.1
123.11705	13.6
125.06017	4.4
125.09608	16.3
128.06255	12.8
129.07021	15.7
130.07780	9.1
131.08592	45.8
133.10143	65.8
135.08064	13.5
135.11722	24.1
137.09639	7.6
139.11198	9.0
141.07054	9.2
142.07770	25.7
143.08580	39.6
144.09335	7.1
145.06505	3.8
145.10141	79.2
146.10469	5.1
147.04425	4.1
147.08054	9.3
147.11720	24.1
149.09668	18.5
149.13271	5.0
151.07585	4.1
151.11230	4.9
155.08559	21.4
155.10710	12.1
156.09369	19.3
157.10135	54.4
158.10986	8.3
159.08092	7.8
159.11710	33.4
161.09612	11.7
161.13284	8.3
163.11192	9.5
164.30176	3.0
165.07013	8.3
165.09122	8.6
166.07803	3.4
167.08572	13.1
167.10693	53.2
168.09424	7.1
169.10114	30.5
170.10962	7.7
171.11711	36.6
173.09697	6.8
173.13258	30.4
175.11159	10.9
175.14903	12.5
179.08588	13.5
179.14346	6.2
180.09344	4.4
181.10210	17.2
181.12213	18.8
182.10913	10.0
183.11688	27.0
183.13145	2.9
184.12399	7.7
185.09679	3.5
185.13255	24.0
186.13908	4.2
187.14877	11.4
189.12798	4.4
189.16487	3.8
191.14349	11.9
192.09314	4.3
193.10176	10.6
194.10971	11.8
195.11745	24.3
195.13571	4.5
196.12515	9.3
197.13295	26.1
199.14825	15.6
200.15315	3.1
201.12558	3.5
203.14401	4.8
206.10933	6.2
207.11714	20.3
207.13585	6.2
208.12427	10.2
209.13292	33.1
209.15176	6.0
211.14848	21.9
213.12726	5.9
213.16415	6.0
215.14409	5.1
217.15933	9.7
220.12415	4.9
221.13300	17.2
221.15422	28.9
222.13908	5.0
222.15819	7.0
223.14696	14.9
225.13017	3.7
225.14922	11.8
225.16718	5.8
231.11711	5.0
233.13200	7.1
233.15323	33.3
235.14838	11.2
237.16438	7.8
244.12479	3.1
245.13275	4.0
246.14006	5.2
247.14836	6.8
247.17030	3.9
249.16457	7.3
251.18100	8.2
253.19431	4.3
257.19073	6.0
259.14825	5.2
261.16418	4.8
263.18002	4.7
265.19644	6.6
269.18961	7.7
273.16452	4.0
275.17719	6.7
281.18991	5.5
283.20544	6.2
287.17538	4.6
289.19763	4.1
295.20584	6.6
297.22046	3.5
299.20056	5.4
335.23471	4.0
347.23523	4.1
349.25342	5.3
361.25024	5.5
375.25070	45.2
376.25412	3.7
415.29889	6.2
509.35291	4.4
565.40387	6.1
583.25488	4.9
583.41406	25.0
601.42480	44.9
602.42761	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	601.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05508	3.2
57.03431	2.1
57.07065	1.3
60.81522	1.1
67.05515	7.6
69.03432	3.3
69.07067	4.7
79.05508	5.8
81.03426	1.3
81.07056	10.6
83.04983	1.2
83.08632	3.1
84.29447	1.3
85.02899	2.5
85.06544	1.6
91.05478	10.1
93.07048	9.7
95.04962	2.7
95.08614	21.1
105.07044	11.7
107.08602	20.6
109.06542	2.5
109.10171	14.9
117.02540	1.3
117.07063	2.5
119.08583	14.7
120.08141	2.4
121.06512	3.5
121.10154	12.9
122.92695	1.3
123.04465	1.5
123.08066	3.0
123.11731	4.2
127.03860	1.3
129.07039	1.5
131.08563	8.0
133.06499	4.8
133.10138	17.5
135.04454	1.8
135.08063	25.2
135.11670	11.0
137.09616	2.3
143.08568	2.8
145.10159	9.8
147.08046	5.0
147.11687	7.6
149.09625	2.2
149.13292	5.2
155.08577	2.7
157.10123	2.8
158.11090	1.4
159.08038	2.7
159.11716	10.6
161.09654	9.4
161.13278	3.7
163.03915	5.9
163.14769	2.7
171.11693	2.9
173.09654	3.0
173.13252	8.8
175.11179	6.9
175.14824	4.6
177.12723	2.7
177.16397	2.9
181.10228	1.2
183.11731	3.3
185.13272	3.3
187.11188	1.8
187.14891	5.1
189.12766	3.4
189.16406	9.6
191.14447	3.4
191.17990	4.1
193.12262	2.1
197.13290	2.8
199.11244	2.0
199.14810	1.9
201.12697	5.8
201.16486	4.3
203.14319	25.9
203.18019	3.4
211.14900	2.6
213.16461	1.6
215.17989	6.8
217.15887	12.4
219.13806	18.5
243.17741	1.4
275.67010	1.2
292.46484	1.3
385.09290	1.5
405.31644	9.1
423.32565	16.0
583.36353	3.5
601.37372	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	601.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.28225	1.5
55.05504	4.9
55.94717	1.4
57.07092	1.5
67.05495	5.8
69.03398	1.3
69.07065	6.6
69.87584	1.3
70.29413	5.1
79.05486	11.2
81.07061	15.8
83.08607	2.0
87.00835	4.8
91.05476	14.5
93.07053	15.8
95.05006	2.9
95.08612	16.0
97.06531	6.5
101.94768	1.9
102.90476	1.4
103.05431	1.8
105.07033	100.0
107.08592	26.5
109.06520	3.4
109.10166	7.5
111.08112	1.3
115.07572	3.8
117.06997	7.8
119.08588	39.4
121.06512	40.6
121.10153	11.2
123.08095	4.7
123.11745	2.0
124.76397	1.4
128.06219	4.4
129.06989	7.3
130.07745	3.4
131.07588	3.6
131.08574	72.3
133.06528	2.3
133.10127	19.0
135.08063	12.4
135.11681	6.8
139.07463	1.8
141.06966	4.5
142.07768	6.5
143.08572	19.9
144.09343	2.9
145.10123	51.6
147.08052	7.6
147.11699	31.5
149.09573	4.2
149.13269	4.1
155.08557	9.7
156.09332	10.3
157.08945	2.8
157.10136	31.7
158.10910	4.8
159.08057	2.5
159.11696	32.0
161.09598	9.4
161.13255	12.8
163.11192	5.5
163.14841	21.5
167.08557	3.3
168.09329	5.8
169.10129	10.4
170.10933	6.1
171.11693	21.9
173.13269	86.0
175.11162	4.5
175.14841	14.0
176.11958	5.5
181.10114	5.2
182.10886	9.3
183.11711	47.1
184.12337	1.6
185.13254	22.6
187.11186	3.8
187.14859	11.9
189.12753	14.4
189.16365	2.3
191.14313	65.2
195.11685	4.2
197.13280	39.8
199.11287	3.2
199.14825	29.6
201.12752	22.7
201.16380	8.3
203.14346	6.4
209.13245	3.4
211.14771	2.3
213.12753	2.6
213.16301	1.5
215.14330	18.3
217.12399	2.6
217.15863	8.3
219.13869	3.4
219.17404	2.5
223.14854	4.3
225.16521	2.8
227.98280	1.7
229.15569	1.6
231.13759	3.2
235.13278	17.1
241.15865	4.0
243.13731	8.6
245.15399	3.5
261.14771	3.0
263.16379	1.8
319.15491	2.4
339.14322	2.9
347.14935	4.7
369.25745	1.9
371.27145	1.7
387.27045	7.5
389.28488	2.3
405.27853	6.5
407.29565	2.2
409.27298	3.5
411.29477	1.4
415.25861	2.2
423.28845	4.9
427.75836	1.4
433.27322	24.5
435.28806	4.2
451.28433	53.2
452.28580	2.4
461.27081	2.0
468.71594	1.5
469.29510	4.1
479.27893	3.2
491.28040	2.3
497.28580	3.7
509.29349	2.4
537.28510	6.6
555.29468	31.1
565.27747	2.0
601.30200	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
55.01855	4.2
55.05495	15.4
57.07066	14.3
59.04995	8.3
63.31185	3.7
65.03936	7.2
67.05508	27.0
69.03434	17.6
69.07056	12.1
71.37633	3.5
79.05494	43.2
81.07067	45.6
83.04971	18.7
83.08595	7.8
85.06545	7.9
91.05484	61.2
91.06025	7.1
93.07044	69.7
95.04992	21.5
95.08614	41.0
97.06529	13.2
103.05471	6.3
105.07032	99.6
107.04961	4.6
107.08593	58.2
108.05721	4.8
109.06520	18.8
109.10168	20.8
110.44792	3.2
111.08070	10.8
115.05448	12.0
117.07037	27.7
119.08587	88.4
121.06495	14.2
121.10143	46.9
123.08076	33.5
123.11724	7.6
125.05994	11.6
125.09617	7.4
128.06224	19.4
129.07033	28.0
130.07793	11.8
131.08582	57.8
133.06456	8.7
133.10146	42.7
135.08067	30.0
135.11678	10.8
137.09616	18.7
139.07518	6.9
141.06970	13.4
142.07773	31.3
143.08583	63.4
144.09377	19.5
145.06491	7.9
145.10136	84.9
146.10820	4.9
147.08043	47.2
147.11693	16.2
149.09648	21.6
151.07533	25.8
153.06990	5.4
154.07785	5.1
155.08580	25.7
156.09341	26.4
157.10136	86.0
158.10892	11.5
159.08061	17.9
159.11691	37.2
160.08853	5.0
161.09621	27.1
161.13246	10.9
162.10341	5.4
163.11162	25.4
165.06987	11.9
165.09140	55.3
166.07701	6.1
167.08604	12.7
167.10728	9.4
168.09331	6.4
169.10159	36.1
170.10913	13.5
171.08171	4.8
171.11673	48.7
172.08865	5.8
172.12427	7.2
173.09613	14.3
173.13304	22.4
175.11189	35.9
175.14795	7.4
176.11948	10.2
177.12733	5.4
178.07620	4.1
179.08528	13.7
179.10675	6.1
180.09337	8.4
180.11478	4.4
181.10028	18.1
181.12186	16.5
182.10880	14.1
183.11714	27.6
184.12437	4.2
185.09676	9.0
185.13312	24.1
186.14122	4.0
187.11147	10.8
189.12759	18.5
190.13539	10.6
191.08771	4.3
191.10661	9.4
191.14310	9.0
192.09358	10.0
193.10126	16.6
193.12279	12.9
194.10899	10.3
195.11740	26.7
195.13326	4.7
196.12422	10.2
197.09634	5.8
197.11729	4.2
197.13278	26.7
198.14029	5.3
199.11180	10.0
199.14815	9.6
200.11902	4.2
201.12793	10.9
203.14359	34.4
205.10152	4.4
205.12354	3.9
206.10909	7.5
207.11710	16.9
207.13795	24.1
208.12563	8.5
208.14557	9.5
209.13242	24.7
209.15195	6.8
210.10526	4.1
210.14034	7.1
211.11275	9.2
211.14854	16.3
212.12000	3.6
213.12756	14.4
213.16327	4.4
215.14299	6.0
216.15158	3.8
217.15858	4.1
219.11617	9.8
219.13760	10.2
220.12413	4.8
221.13283	13.8
221.15327	100.0
223.11302	4.4
223.14780	11.4
224.15588	5.0
225.12752	13.7
225.16382	6.4
227.14313	6.4
231.11638	6.9
232.12450	4.5
233.13185	10.7
233.15370	24.1
234.16118	11.3
235.14838	11.1
236.15622	4.3
237.12756	6.3
237.14705	32.5
239.14195	5.5
239.18109	6.7
241.15823	5.8
245.13086	4.2
246.13895	4.7
247.14738	8.1
247.17021	13.7
248.14075	9.6
249.16385	10.4
251.14178	4.6
251.18050	4.5
253.15819	10.5
255.17485	20.3
259.14685	4.4
259.17145	6.7
261.16467	7.6
263.18103	4.5
267.17422	4.9
269.19034	4.4
271.17020	9.1
274.19260	13.2
275.17755	4.1
279.17407	9.1
281.18970	5.9
283.15033	4.6
285.18408	10.7
286.19281	16.8
287.20151	7.7
294.19763	3.9
297.18414	8.5
298.19318	6.2
299.20111	14.7
303.19592	42.4
307.20557	5.0
311.20023	10.1
312.20886	8.5
313.21564	13.0
325.21661	29.5
337.21637	9.9
352.23990	72.7
365.24777	49.4
377.24713	5.9
383.25793	8.9
420.29739	4.4
502.34094	8.7
503.35156	8.4
507.34634	29.6
520.35480	34.8
567.38220	6.0
583.41614	6.7
585.39899	4.2
600.41553	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01853	1.4
55.05523	6.0
57.07080	9.1
59.05009	5.7
65.03937	2.0
67.05511	12.0
69.03439	8.9
69.07079	6.7
70.04082	5.1
79.05494	15.1
81.06589	1.3
81.07063	22.1
82.07392	1.8
83.05003	6.7
83.08630	1.6
84.32800	1.1
85.06553	6.1
89.06029	2.7
91.05486	27.4
92.06239	1.3
93.07050	31.0
95.04962	10.0
95.08624	18.8
97.06545	5.6
103.05472	2.0
105.07037	49.8
106.07850	1.8
107.04963	2.9
107.08601	22.0
109.06544	10.0
109.10178	6.3
111.08040	2.4
115.05466	4.1
117.07035	13.5
119.04972	2.4
119.08588	54.2
120.09435	2.7
121.06525	7.7
121.10164	21.9
122.07319	1.5
123.08080	16.3
123.11716	1.5
125.05988	11.2
125.09655	1.0
128.06229	4.5
129.07010	8.9
130.07779	4.1
131.08592	22.3
132.09338	3.4
133.06529	5.7
133.08609	1.7
133.10139	22.5
134.10907	2.3
135.08047	19.1
135.11707	6.6
137.05969	1.9
137.09639	12.8
139.07527	1.9
141.07005	5.2
142.07794	9.5
143.08577	21.4
144.09341	5.6
145.06470	3.3
145.10135	34.4
146.10474	1.3
147.08066	28.8
147.11708	9.2
148.08536	1.4
149.09637	11.1
151.07558	13.0
151.11180	1.9
152.08253	1.3
153.07021	2.3
155.08600	9.5
156.09348	9.6
157.06500	1.2
157.10143	34.5
158.07257	2.0
158.10835	4.3
159.08080	7.8
159.11711	23.3
160.08815	2.9
160.12358	1.8
161.09590	9.9
161.13281	5.4
163.07558	1.5
163.11192	20.7
165.06961	2.6
165.09131	48.8
166.07878	2.2
166.09430	3.5
167.08568	4.8
168.09377	3.4
169.10133	14.5
170.10849	5.0
171.08012	2.9
171.11679	16.3
172.12328	2.8
173.09621	8.3
173.13274	8.4
175.11201	20.0
175.14839	2.6
177.09077	3.6
177.12769	2.5
178.09871	1.5
179.08537	3.9
179.10713	1.3
180.09305	2.6
180.11444	2.8
181.10271	7.2
181.12250	18.3
182.10977	6.4
182.12331	1.4
183.11720	15.2
184.12331	2.7
185.09680	2.9
185.13274	10.0
187.11230	8.2
187.14865	2.0
188.11954	1.6
189.12747	10.1
190.13547	8.5
191.10666	5.2
191.14357	2.3
192.09381	1.5
193.10124	5.1
193.12259	12.1
194.10884	2.8
195.11690	8.0
195.13792	2.6
196.12392	3.6
197.09647	1.9
197.13263	11.9
198.10403	1.6
198.13873	1.3
199.11183	6.7
199.14772	2.8
200.11937	1.4
201.12764	8.5
201.16452	1.6
203.14314	21.6
204.14914	1.6
205.10254	1.4
205.12259	1.5
207.11693	5.9
207.13826	10.2
208.12718	2.1
208.14565	11.4
209.09564	1.6
209.13307	9.5
209.15176	2.3
210.13986	2.4
211.11188	2.6
211.14798	8.0
211.37753	1.2
212.11981	1.6
212.15521	2.7
213.12862	5.4
213.16373	2.1
215.10674	2.4
215.14331	2.9
216.15065	2.0
217.12187	1.3
219.11743	2.7
219.13832	8.6
221.13365	5.7
221.15370	100.0
222.15701	8.2
223.11122	2.6
223.14844	5.8
225.12782	2.6
225.16383	3.8
226.13345	1.5
227.14346	3.1
229.12064	1.4
229.15927	4.3
231.13889	2.7
232.12410	1.4
233.13234	3.4
233.15428	3.5
234.13986	1.6
234.16154	18.3
235.14847	2.9
237.12769	3.1
237.16426	2.3
239.14296	3.5
239.17995	1.3
240.18741	1.7
241.15840	2.6
243.13733	2.0
245.15506	2.6
247.14635	2.0
247.16956	31.7
248.17624	3.1
249.12782	1.6
249.16420	2.6
251.14366	2.1
251.17815	1.5
253.15884	3.2
255.13823	1.7
259.17072	6.0
261.18549	3.3
263.17944	1.8
265.15994	2.0
267.17307	2.1
269.15372	2.9
271.16888	4.6
273.18549	2.2
274.19299	12.2
279.17493	2.4
281.15759	1.4
281.19037	3.5
285.18463	3.5
286.19278	3.6
287.20132	11.8
291.17426	1.6
293.18790	1.4
297.18542	3.5
299.20084	15.3
300.20758	2.9
307.20541	2.2
309.18597	1.6
310.19107	1.6
311.20004	4.4
312.20758	7.6
313.21671	8.3
324.20715	1.2
325.21567	14.0
326.22290	2.2
327.23257	3.1
337.21631	4.3
339.23196	4.4
340.24017	19.5
351.23346	1.9
352.23965	26.9
353.24469	1.8
363.23242	1.7
365.24731	4.9
366.25449	4.9
379.26321	5.0
387.25287	6.1
391.26349	3.9
392.26907	3.3
400.26175	2.0
413.26740	5.4
419.29529	9.1
420.30206	4.2
425.26926	10.2
426.27429	3.9
427.28543	12.4
428.28665	1.9
440.23389	2.5
440.29251	47.1
441.29681	1.6
442.30789	3.4
454.30603	2.0
481.32574	1.5
494.34143	1.9
508.35876	6.6
520.27661	1.4
520.35419	26.8
521.36176	2.4
567.38483	1.5
582.40784	2.4
585.39227	3.8
596.26538	1.3
600.41669	30.3
601.42310	2.5
611.47253	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01880	2.3
55.05507	7.6
55.30758	2.0
57.07080	13.8
59.05005	2.9
67.05511	14.4
69.03433	8.9
69.07073	6.3
71.00249	4.1
79.05495	12.0
81.07060	20.0
83.04988	6.4
83.08622	2.4
83.66679	2.5
85.06553	3.6
89.06026	4.0
91.05472	26.4
93.07053	34.7
94.07417	2.9
95.04971	12.0
95.08622	18.4
97.06537	7.6
103.05487	2.7
105.07034	51.6
107.05001	2.5
107.08602	23.5
109.06534	9.7
109.10174	10.2
111.08115	3.9
117.07034	14.1
119.08590	60.5
121.06504	6.5
121.10162	24.0
123.08079	23.0
125.06038	11.0
128.06229	4.8
129.07036	10.6
130.07826	2.5
131.07875	2.2
131.08606	24.1
132.09402	3.1
133.06506	4.0
133.08623	2.7
133.10127	30.9
134.10941	4.0
135.08061	22.4
135.11702	7.0
137.06024	2.7
137.09613	14.5
138.22269	1.9
139.07645	2.5
141.07005	5.9
141.71695	2.5
142.07785	9.6
143.08554	23.3
143.26570	2.2
144.09334	7.2
145.06445	5.6
145.10143	46.5
147.08060	31.9
147.11690	9.7
148.08673	2.2
149.09663	14.5
150.10481	2.9
151.07533	15.3
151.11307	2.5
153.07066	2.7
155.08519	12.2
156.09358	10.2
157.10143	38.2
158.10880	4.6
159.08083	8.5
159.11684	24.9
160.08829	7.7
161.09621	10.4
161.13268	7.6
163.11188	20.6
165.07007	3.8
165.09132	50.5
167.08510	3.8
168.09308	3.8
169.10178	17.4
170.10880	5.5
171.08139	3.1
171.11668	15.2
173.09647	5.8
173.13258	10.1
175.11201	25.6
177.09180	4.0
177.12724	3.4
178.09851	3.9
179.08568	3.8
180.11476	2.6
181.10129	9.7
181.12234	19.8
182.10880	5.5
183.11685	19.9
184.12376	3.8
185.09561	3.6
185.13255	13.2
187.11172	6.0
187.14885	5.0
189.12761	9.2
190.13545	9.9
191.10693	4.2
191.14386	4.4
193.10307	4.5
193.12262	15.3
194.10904	3.6
195.11714	14.5
195.13574	3.2
196.12469	3.3
197.09612	2.5
197.13232	14.3
199.11176	5.7
199.14780	4.1
201.12801	9.8
203.14333	21.6
207.11716	6.6
207.13818	12.1
208.12708	3.3
208.14641	8.7
209.13229	9.2
209.15146	2.5
211.11327	3.5
211.14868	10.6
213.12732	5.3
213.16565	2.9
219.13806	8.5
221.13281	6.7
221.15367	100.0
222.13844	2.9
222.15779	10.8
223.14786	5.4
224.15421	2.5
225.12744	7.9
229.15958	4.3
233.13264	3.5
233.15373	4.3
234.16124	23.1
235.14838	2.7
237.12651	5.0
239.14311	4.2
239.17853	3.0
241.16046	2.7
245.15483	2.5
247.14766	4.3
247.16994	31.9
248.17784	4.5
249.16446	4.3
251.17899	2.8
259.17065	3.2
263.17853	3.0
265.15982	2.5
271.17084	5.5
274.19278	9.8
279.17609	4.1
281.19101	4.0
283.26358	2.5
285.18576	3.4
286.19241	6.1
287.20105	11.9
297.18600	2.4
298.19266	3.1
299.20102	18.5
300.20905	3.8
307.20544	3.5
311.20062	3.2
312.20795	7.7
313.21664	6.7
325.21667	16.4
327.23273	2.7
337.21588	6.7
339.23276	7.3
340.24139	23.4
351.23181	2.9
352.23981	31.4
353.24475	4.3
365.24939	5.6
366.25320	3.7
377.24677	2.8
379.26389	7.1
387.25394	3.3
391.26364	4.9
392.26871	2.9
413.26932	5.3
419.29330	8.9
420.30148	4.3
425.26761	9.9
426.27850	6.7
427.28503	15.4
428.28638	2.5
440.29297	46.7
442.30847	4.4
454.30969	3.5
507.34506	4.7
508.35092	5.3
520.35559	35.6
521.36151	3.1
566.70258	2.3
585.38989	3.8
600.41541	33.9
600.55255	6.9
600.63782	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06742	2.2
53.03946	2.9
55.01876	2.2
55.05500	7.1
57.07092	12.5
59.04992	6.2
67.05506	11.9
69.03428	11.3
69.07073	5.4
69.75722	12.1
76.58524	2.3
78.67735	2.0
79.05504	15.9
79.89739	2.1
81.07067	17.9
83.04988	5.0
83.08638	4.5
85.06547	8.7
89.06027	3.2
91.05489	30.7
92.06291	2.7
93.07053	36.5
95.04972	11.2
95.08619	25.2
97.06536	4.6
103.05479	2.4
105.06389	3.3
105.07039	41.8
107.08604	23.8
109.06519	14.2
109.10165	8.0
115.05429	3.4
117.07062	14.0
119.07786	4.2
119.08588	57.0
120.09417	4.1
121.06528	8.9
121.10167	22.7
123.08104	14.8
125.06032	10.5
125.09605	2.6
128.06204	6.1
129.07036	15.0
130.07845	3.3
131.08586	26.2
132.09323	2.7
133.06493	6.4
133.08565	2.7
133.10135	26.9
135.08090	19.8
135.11685	6.5
137.09618	16.6
139.07500	3.4
141.06958	4.9
142.07802	13.1
143.08594	27.1
144.09355	6.7
145.10138	47.1
147.08058	28.3
147.11685	10.1
148.08601	2.2
149.09610	12.1
151.07558	13.4
151.11182	4.8
152.08261	2.8
155.08530	11.2
156.09383	12.2
157.10141	37.0
158.10899	8.0
159.08083	7.0
159.11707	25.6
160.12431	2.7
161.09651	12.8
161.13222	7.2
163.11183	25.0
165.09134	53.0
166.09486	4.8
167.08612	4.8
168.09286	5.4
169.10132	18.0
170.10841	3.3
171.11687	19.2
172.12378	3.6
173.09605	8.8
173.13287	10.2
175.11206	20.9
177.09181	3.7
178.09872	3.3
179.08548	5.1
181.10167	9.0
181.12228	19.6
182.10950	5.4
183.11731	13.7
184.12402	3.3
185.09573	4.2
185.13287	11.1
187.11195	7.6
187.14716	2.6
189.12711	7.9
190.13527	10.3
191.10625	6.1
193.10176	6.1
193.12274	16.5
194.10953	2.3
195.11786	10.5
196.12416	3.3
197.09630	3.7
197.11685	2.2
197.13203	12.3
198.13751	2.6
199.11191	6.4
199.14806	4.6
201.12769	7.9
203.14317	24.2
204.14655	2.9
206.10918	3.6
207.11740	8.8
207.13824	12.6
208.12622	3.9
208.14572	9.6
209.13278	8.1
210.13902	2.5
211.11243	5.3
211.14865	6.8
212.15417	2.5
213.12840	3.8
216.15224	2.3
219.11810	4.4
219.13815	10.5
221.13280	7.8
221.15369	100.0
222.15773	11.7
223.14799	4.0
225.12837	3.9
225.16408	4.2
229.12198	3.3
233.15378	5.1
234.16063	16.5
235.14807	6.9
237.12698	3.4
237.16373	4.1
239.14334	3.8
247.14796	3.4
247.17003	28.6
248.17493	3.2
249.16324	2.6
251.14255	2.9
253.15909	3.9
259.17007	3.8
265.15884	2.7
269.15506	2.5
271.16946	3.8
273.18509	4.5
274.19342	12.0
275.17871	2.9
281.18933	5.3
285.18466	3.0
286.19168	5.2
287.20279	10.9
297.18634	2.4
299.20078	18.2
300.20505	3.6
311.20132	5.4
311.23572	2.4
312.20773	9.8
313.21506	6.0
325.21729	12.6
337.21494	6.3
339.23190	4.2
340.23987	13.5
352.24039	36.7
365.24805	5.4
366.25449	4.4
379.26370	3.8
387.25272	3.5
391.26270	3.4
392.26730	2.8
400.26160	3.5
413.26715	5.5
419.29510	10.2
420.29727	4.4
425.26782	4.4
426.27563	3.3
427.28314	15.6
440.29211	37.9
442.30893	2.9
467.35870	2.4
507.34796	3.2
508.35059	8.3
520.35498	36.5
585.39197	4.0
600.41589	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
53.72353	3.4
55.05508	18.3
57.07071	12.7
59.05003	6.3
65.03932	4.2
67.05506	24.5
69.03438	14.8
69.07092	18.7
69.07420	3.5
69.45843	3.0
69.46165	25.8
71.04980	3.5
71.77758	2.7
74.93127	2.8
76.31970	3.0
79.05505	31.8
81.07062	30.6
83.04992	17.2
83.08618	10.3
85.06541	6.4
87.04455	3.6
91.05480	62.5
91.07179	3.0
93.07047	74.8
95.04989	16.2
95.08031	4.0
95.08605	31.7
97.06539	13.3
103.05466	5.8
105.04491	3.5
105.07036	100.0
106.07854	7.0
107.04932	4.2
107.08603	61.2
109.06544	19.6
109.10188	24.3
111.08091	5.7
115.05450	7.3
117.07044	27.0
119.08597	86.7
121.06521	22.0
121.10162	48.0
123.08083	30.9
125.09646	7.6
128.06247	17.8
129.07039	24.1
130.07808	11.1
131.08574	51.9
132.09331	2.8
133.06470	10.0
133.10127	50.4
135.08067	23.0
135.11717	15.6
137.06006	4.1
137.09624	18.7
139.07544	4.5
139.11195	5.0
141.07030	9.5
142.07819	32.6
143.08588	61.2
144.09346	17.9
145.06467	6.0
145.10132	67.2
146.07263	3.0
147.08080	31.8
147.11668	17.3
148.08827	3.8
149.09653	21.6
151.07568	16.7
153.07031	6.5
154.07805	5.6
155.08592	25.2
155.10634	5.3
156.09389	18.9
157.10139	86.9
158.10870	9.6
159.08072	29.5
159.11708	39.7
160.08818	8.4
161.09659	25.1
161.13290	10.0
163.11160	16.7
165.07025	6.4
165.09143	46.0
166.07800	5.2
167.08588	11.8
167.10678	17.9
168.09369	8.1
169.10139	30.2
170.10880	11.6
171.11702	44.9
172.12430	6.7
173.09602	14.9
173.13289	19.2
175.11203	25.7
175.14816	6.9
177.09120	5.9
177.12810	6.3
179.08607	12.0
179.10666	5.9
180.09395	9.9
181.10143	18.0
181.12230	7.7
182.10938	12.1
183.11691	30.5
184.12497	5.5
185.09636	7.1
185.13274	23.7
187.11215	10.6
187.14862	8.3
189.12784	13.9
190.13519	8.4
192.09412	5.6
193.10245	16.1
193.12267	12.0
194.10831	8.4
195.11734	30.6
195.13518	4.7
196.12473	9.2
197.09700	5.2
197.11768	4.0
197.13261	22.1
198.10394	4.2
199.11166	10.0
199.14804	10.9
201.12811	8.5
203.14308	24.3
205.10242	6.0
205.12138	3.9
206.10925	8.6
207.11717	17.0
207.13831	14.9
208.12462	12.0
208.14523	7.5
209.09673	3.1
209.13277	22.7
210.13998	5.6
211.11168	7.4
211.14810	13.3
213.12717	14.5
213.16383	4.6
215.14397	8.3
217.09973	4.3
218.10878	4.3
219.11682	9.5
219.13864	5.1
220.12477	7.8
221.13283	14.0
221.15332	76.7
222.13855	4.7
222.15785	4.7
223.11174	4.6
223.14827	14.0
225.12849	8.4
225.16283	7.9
227.14226	9.1
229.12433	4.0
229.15877	3.9
231.11685	7.8
233.13237	9.9
233.15387	23.0
234.13986	4.4
234.16133	12.4
235.14859	9.0
237.12788	6.0
237.14641	23.3
237.16933	4.8
239.14442	7.1
241.15918	6.8
245.13261	4.2
245.15608	3.5
247.14864	4.8
247.17021	6.8
248.14027	7.2
249.16429	9.3
251.18164	3.7
253.15926	6.9
255.17447	23.2
259.17068	5.9
261.16382	7.3
263.18076	7.0
265.16199	3.5
267.17484	6.8
269.19003	6.3
270.19794	9.2
271.17166	6.0
273.18488	5.4
274.19284	11.0
281.19073	3.8
282.19638	5.1
285.18567	8.0
286.19241	10.6
287.20117	7.2
289.19424	4.0
294.19910	6.8
295.20795	3.9
299.20313	16.3
303.19537	39.8
305.19153	3.8
309.22052	3.4
312.20905	5.5
313.21680	9.4
325.21616	13.9
337.21570	8.8
347.23978	3.4
352.19934	5.2
352.23996	66.5
365.24850	19.5
383.25760	7.1
439.28885	3.8
502.34460	6.5
505.33466	3.8
507.34631	10.2
508.34860	8.6
520.35492	33.0
566.89374	3.5
567.38916	4.1
582.40436	5.7
600.41553	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.6
53.03951	7.3
55.01865	2.5
55.05519	22.1
57.07067	8.9
65.03936	5.2
67.05508	30.4
69.03430	11.5
69.07072	18.4
69.30768	23.2
71.04990	7.1
79.05502	42.6
81.03408	2.9
81.07063	46.9
83.04579	2.5
83.05006	20.4
83.08607	12.2
83.10847	2.2
83.80615	2.0
85.06561	10.6
87.04465	4.7
91.05489	64.5
92.06300	2.0
93.07051	66.5
95.04971	25.2
95.08031	3.5
95.08614	30.4
96.05812	2.1
97.06523	12.7
103.05483	3.8
105.07039	100.0
106.07825	3.0
107.04967	4.2
107.08607	65.8
109.06534	22.8
109.10172	37.1
111.08086	7.9
113.09648	6.0
113.22923	2.5
115.05450	6.7
115.86876	2.1
116.06203	2.4
117.07014	26.1
119.04943	3.4
119.08593	87.3
120.09374	2.5
121.06520	16.0
121.10151	58.9
123.08079	35.7
123.11707	9.1
125.05957	2.6
125.09622	14.9
128.06224	18.9
129.07030	23.1
130.07779	12.3
131.08582	54.6
132.09375	4.5
133.06502	4.8
133.10133	56.1
135.08078	19.8
135.11656	12.1
137.09631	15.6
139.11203	4.4
141.07001	12.2
142.07787	31.4
143.08575	65.9
144.09354	19.9
145.06483	7.5
145.10139	77.2
146.10878	4.7
147.08044	16.5
147.11702	22.4
149.09605	20.0
151.07549	8.6
151.11191	2.6
153.07001	7.3
154.07756	4.7
155.08540	24.2
155.10625	9.7
156.09357	29.3
157.10133	79.4
158.10922	11.8
159.08086	22.9
159.11691	49.4
160.08833	7.6
161.09630	20.0
161.13287	11.5
162.10428	2.9
163.11212	11.1
165.07004	8.0
165.09154	13.3
166.07820	5.1
167.08586	14.7
167.10703	17.4
168.09352	9.8
169.10150	38.5
170.10953	13.9
171.08037	4.3
171.11703	54.7
172.08853	3.1
172.12450	4.9
173.09645	15.3
173.13287	28.6
175.11206	20.3
175.14783	5.6
177.12698	4.8
178.07800	3.2
179.08528	14.9
180.09358	6.4
181.10118	26.1
181.12216	6.8
182.10880	12.4
183.08057	3.8
183.11707	33.2
184.12483	4.6
185.09654	7.2
185.13284	25.4
186.14049	6.6
187.11209	9.7
187.14867	11.4
189.12804	12.6
190.13554	8.4
191.08524	2.5
191.10759	2.6
191.14326	8.0
192.09349	9.2
193.10156	21.3
193.11926	4.1
194.10899	10.9
195.11699	33.2
196.12477	12.8
197.09671	5.2
197.13254	30.7
198.13976	3.0
199.11243	8.2
199.14803	14.9
200.11943	3.0
201.12790	8.9
203.08519	2.6
203.14316	15.5
205.10146	6.4
205.12067	2.3
206.10934	10.1
207.11720	21.2
207.13721	6.6
208.12466	11.0
209.13272	29.4
209.15155	3.4
210.14044	6.6
211.11259	5.0
211.14859	24.2
213.12880	12.3
213.16373	7.2
215.14310	12.0
217.10056	3.5
218.10933	7.2
218.16620	5.2
219.11649	7.1
219.13689	3.5
220.12488	5.9
221.13260	17.8
221.15407	27.4
222.14043	6.1
223.11246	3.6
223.14804	19.2
225.12801	10.4
225.16333	10.1
227.14302	10.0
229.15939	2.5
231.11691	6.3
232.12411	4.1
233.13281	11.7
233.15414	24.6
234.14046	4.9
234.16150	6.8
235.14804	14.8
237.12721	3.4
237.16425	14.9
239.14288	7.9
239.17940	4.2
241.15881	5.4
241.19238	3.0
245.13254	6.5
246.13980	3.8
246.16225	4.4
247.14774	6.9
247.17001	6.7
248.15660	5.5
249.16457	10.5
250.17067	2.7
251.14342	3.2
251.18004	6.7
253.15906	5.4
255.17476	36.9
257.15778	2.6
257.18796	2.7
258.14099	2.9
259.14807	9.0
260.15701	3.3
261.16412	10.0
263.18033	9.1
265.16013	3.2
265.19501	5.7
267.17422	6.0
268.18182	4.8
269.18973	5.8
270.19781	6.8
271.17044	4.2
271.20660	2.4
273.18494	6.2
274.19305	5.2
275.17770	5.5
277.16043	2.3
277.19424	3.2
279.17462	4.1
281.19080	11.1
282.19998	3.3
283.20609	4.5
286.19464	3.7
287.20126	7.5
289.19568	4.4
294.19949	2.4
295.20569	6.1
299.20102	8.9
303.19672	7.5
307.20609	3.8
311.20386	2.5
313.21915	4.2
319.20508	3.3
335.23462	2.7
345.21835	3.3
347.23636	5.7
352.24002	9.5
360.24435	2.5
365.24988	10.6
377.24844	3.0
383.25821	7.0
508.35037	3.4
520.35291	3.3
541.24030	2.7
549.37506	2.6
589.97229	2.7
600.41693	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.05516	20.0
57.07066	8.6
59.05003	4.5
65.03946	4.7
67.05508	25.7
69.03421	8.9
69.07074	23.5
71.04998	6.1
77.69251	2.0
79.05495	35.1
79.25630	2.1
81.07059	35.4
83.04974	14.4
83.08624	15.1
85.02895	2.6
85.06548	9.5
87.04471	5.6
89.06012	2.8
91.05486	65.9
93.07047	65.9
95.04971	25.9
95.08610	28.2
97.06541	16.4
102.33405	2.0
103.05477	4.5
104.16862	2.2
105.07034	100.0
106.07864	2.7
107.04939	4.3
107.08598	67.7
109.06522	17.0
109.10162	33.9
111.08103	5.3
113.05959	2.6
113.09666	5.5
115.05477	6.3
116.06238	4.9
117.07011	24.9
119.08589	88.0
120.09368	6.2
121.06512	12.4
121.10146	62.1
123.08070	29.7
123.11724	5.2
125.06029	2.8
125.09622	14.2
128.06223	20.6
129.07007	26.7
130.07761	8.8
131.08565	56.3
132.09366	3.5
133.06525	3.6
133.10143	48.5
134.07275	2.4
134.10864	4.3
135.08064	16.6
135.10838	2.3
135.11685	15.6
137.09612	10.1
139.11215	3.5
141.06982	9.7
142.07797	31.6
143.08572	49.8
144.09358	18.4
145.06549	3.6
145.10133	74.8
146.10930	4.4
147.08043	19.3
147.11697	20.2
148.08742	3.7
149.09616	17.3
151.07565	6.4
153.06992	7.0
153.66676	3.0
154.07745	6.1
155.08585	22.5
155.10628	14.7
156.09325	28.3
157.10139	74.5
158.07341	3.2
158.10966	13.1
159.08067	22.5
159.11700	44.2
160.08801	7.0
161.09627	20.2
161.13275	8.5
163.11211	9.6
165.06973	10.5
165.09122	8.5
166.07762	4.3
167.08641	15.4
167.10670	13.6
168.09358	6.1
169.10138	33.1
170.10837	12.2
171.08035	3.1
171.11703	47.3
172.08820	2.5
172.12474	5.0
173.09676	13.3
173.13257	23.3
173.55180	2.2
174.10417	3.8
175.11195	18.0
175.14784	6.3
177.09071	2.7
177.12827	3.5
178.07744	2.8
179.08557	18.7
180.09341	8.8
181.10135	24.8
181.12250	5.0
182.10959	13.1
183.07918	2.5
183.11700	31.3
184.12457	6.5
185.09642	7.4
185.13251	27.2
186.10356	3.9
187.11134	11.3
187.14807	11.3
189.12706	8.5
190.13477	4.6
191.08586	3.6
191.14299	7.4
192.09302	5.6
193.10136	20.9
193.12253	4.2
194.10918	13.4
195.11713	30.8
196.12469	10.1
197.09549	5.3
197.13264	30.6
199.11212	10.2
199.14830	19.7
200.11909	3.3
201.12796	11.7
201.16368	3.2
203.14282	14.4
205.10260	3.8
206.10951	10.2
207.11716	20.4
207.13753	6.1
208.12451	8.2
209.09756	2.3
209.13280	29.1
209.15233	2.4
210.14084	6.5
211.11153	5.0
211.14790	17.9
212.11998	4.4
212.15605	3.2
213.12775	9.6
213.16377	8.1
215.14301	10.1
217.10173	2.7
217.15921	3.2
218.16620	2.6
219.11676	8.0
219.13687	3.8
220.12570	5.4
221.13268	15.3
221.15387	20.4
222.14052	6.8
223.14842	19.0
225.12743	8.0
225.16318	11.4
227.14343	8.4
229.15860	6.2
231.11710	4.2
232.12444	5.5
233.13208	7.9
233.15385	27.2
234.13994	4.4
234.16106	5.4
235.14766	15.5
237.12845	4.9
237.16367	12.7
239.14290	3.4
239.17931	5.2
241.15945	4.9
244.12428	2.9
245.13278	5.3
245.15631	3.4
246.14091	3.4
247.14807	7.7
247.17052	3.2
249.16281	10.7
251.18030	4.1
253.15938	5.3
255.17451	37.4
257.13165	4.0
257.18997	4.1
258.14014	3.6
259.14835	6.0
261.16370	8.0
263.17975	8.5
265.15839	4.5
265.19357	3.5
267.17447	3.8
268.18262	6.5
269.19061	7.3
270.19867	8.3
271.20334	2.4
273.18457	8.8
275.17889	7.6
276.18829	2.4
279.17453	4.6
279.20969	2.4
281.19012	9.0
282.19641	3.6
283.20560	3.5
285.18533	4.3
286.19327	3.0
287.20306	4.4
289.19565	3.7
293.19180	3.2
295.20535	6.7
296.21591	2.8
299.20096	5.4
305.18726	3.1
313.21762	3.0
321.22278	2.5
327.21008	2.7
329.22784	3.2
347.23740	5.7
360.24399	2.7
361.25235	3.5
365.24728	9.7
383.25757	9.0
497.50473	2.8
567.37744	6.0
582.40344	3.7
600.42010	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03944	5.7
54.73892	1.4
55.01870	2.5
55.05518	25.2
55.56353	1.4
57.07086	9.8
59.04999	4.0
65.03943	4.8
67.05507	34.1
68.32669	1.3
69.03432	13.6
69.07069	21.8
69.66644	4.1
69.67059	4.8
71.05003	7.1
71.08611	1.7
77.03903	1.9
79.05496	40.7
80.06287	1.9
81.03423	1.4
81.07061	45.1
83.04980	19.6
83.08630	17.6
83.79890	1.7
85.02919	1.5
85.06539	7.8
85.10175	1.7
87.04465	5.2
89.06031	16.2
91.05486	63.3
92.06272	1.8
93.07049	76.7
94.07861	2.8
95.04979	26.2
95.08612	39.2
95.09222	2.0
96.05773	1.6
97.06540	18.4
97.10214	2.2
103.05489	4.6
105.04536	2.4
105.07037	100.0
106.07859	2.5
107.04977	3.5
107.08601	73.2
109.06535	19.1
109.10165	37.6
110.16596	1.6
111.08057	8.5
111.11704	2.9
113.06016	2.7
113.09666	4.3
115.05433	8.5
116.06244	3.8
117.07012	26.5
118.07838	1.4
119.08591	85.7
120.09395	4.3
121.06525	15.8
121.10152	60.1
123.08083	35.4
123.11716	6.6
125.09618	14.3
128.06230	22.2
129.07007	27.8
130.07808	10.9
131.08578	52.3
132.09358	4.3
133.06557	9.2
133.07695	1.9
133.08655	11.5
133.10139	58.5
134.10942	2.8
135.08049	18.9
135.11678	15.2
137.09608	10.4
137.72488	1.5
139.07533	1.9
139.11195	5.9
141.06992	15.1
142.07790	38.1
143.08566	58.5
144.09360	15.3
145.05502	1.3
145.06445	7.3
145.10132	72.3
146.07237	2.4
146.10892	4.2
147.08069	18.1
147.11696	25.2
148.08841	2.1
149.09644	19.5
149.13243	2.5
151.07515	7.0
151.11163	2.6
153.07021	5.1
153.09102	1.8
154.07796	6.0
155.08575	27.2
155.10599	11.2
156.09363	28.3
157.10136	79.9
158.10905	13.4
159.08075	22.1
159.11693	47.3
159.21988	1.6
160.08804	9.2
160.12524	2.4
161.09630	19.0
161.13248	9.9
163.11205	9.8
165.07016	10.4
165.09138	6.8
166.07831	6.0
167.08569	14.8
167.10670	19.7
168.04485	1.4
168.09378	10.1
168.10611	1.6
169.10126	40.4
170.10947	13.7
171.08144	2.5
171.11697	49.3
172.08838	2.7
172.12473	7.5
173.09644	13.8
173.13257	23.4
174.10410	3.4
175.11203	14.4
175.14836	6.3
177.09114	2.2
177.11322	2.9
177.12782	5.1
178.07712	2.9
179.08577	17.8
179.10242	1.7
179.10680	1.4
180.09320	9.6
181.10156	25.0
181.12280	6.0
182.10933	14.4
183.11702	35.2
184.12500	8.3
185.09631	8.0
185.13271	28.7
186.10368	1.7
186.14044	3.6
187.11229	12.2
187.14873	10.3
189.12762	10.9
189.16324	1.8
190.13507	4.6
191.08578	4.8
191.14304	8.2
192.09357	6.5
193.10155	18.7
193.12135	3.3
194.10915	12.7
195.11700	31.0
195.13583	1.5
196.08833	1.7
196.12526	13.1
197.09634	7.6
197.13255	38.1
198.10446	2.1
198.14017	4.8
199.11174	9.5
199.14847	14.8
200.12061	1.8
201.12697	10.1
201.16508	3.1
202.13480	2.5
203.14297	15.3
204.09227	2.9
205.10193	5.6
205.12122	1.7
205.15866	2.1
206.10896	10.0
207.11725	22.1
207.13811	5.8
208.12575	10.6
209.09747	2.6
209.13272	30.2
209.15161	2.2
210.10446	3.5
210.13914	6.7
211.11290	8.0
211.14832	21.6
212.15570	3.8
213.12793	9.4
213.16293	8.9
214.13536	2.2
215.14305	11.0
216.15320	1.6
217.10167	3.9
217.12292	1.8
217.15924	3.3
218.10974	2.4
218.16695	4.4
219.11682	8.6
219.13657	2.6
220.12482	6.1
221.13297	18.3
221.15422	20.7
222.13989	3.5
223.11281	3.1
223.14818	19.5
224.11992	1.9
224.15533	2.1
225.12762	9.7
225.16316	10.7
227.14310	6.9
227.17867	4.1
229.10129	2.7
229.15891	5.0
231.11699	5.4
231.13815	2.0
232.12500	5.3
233.13245	7.3
233.15421	25.1
234.14053	4.9
234.16161	4.2
235.14821	14.6
235.16931	2.7
236.15681	3.5
237.12692	5.1
237.16443	15.6
238.17130	2.4
239.14296	6.8
239.17996	4.4
241.15874	4.4
243.11758	2.9
244.12439	2.5
245.13240	6.3
245.15466	2.1
246.14059	4.4
247.14871	9.0
247.17084	2.7
248.15620	2.8
249.12671	1.9
249.16425	10.8
250.17216	2.4
251.14366	3.4
251.17990	6.9
253.15894	4.3
253.19542	2.4
255.17462	37.8
257.13333	3.4
257.19043	3.3
258.14081	3.8
259.14816	6.2
259.17245	2.2
260.15619	2.9
261.16394	6.2
262.17072	2.0
263.17865	9.8
265.15851	4.0
265.19534	6.2
265.25241	3.6
267.17542	4.4
268.18314	4.2
269.19031	6.5
270.14081	2.2
270.19727	6.6
271.17108	2.2
271.20645	2.6
272.15625	2.2
273.16312	4.4
273.18872	7.6
275.14822	1.6
275.17902	5.3
277.16040	2.4
277.19534	5.3
279.17493	3.2
279.21207	1.7
281.19095	8.1
282.19745	3.5
283.20544	4.0
285.18567	4.9
286.19321	4.6
287.17566	2.8
287.20154	4.6
289.19568	4.0
291.17337	2.1
291.20908	2.2
293.19003	2.6
294.19705	1.7
295.20645	6.0
297.18561	2.1
298.19278	2.4
299.20117	5.3
301.19354	3.1
303.20914	3.5
307.20703	3.2
313.21939	2.5
321.22144	2.6
325.21765	2.4
327.20920	2.0
329.22720	2.5
331.24316	2.2
333.21991	1.5
339.28845	2.2
345.21967	3.0
347.23730	5.3
351.23370	1.7
360.24512	1.8
361.25446	2.3
365.24847	8.5
383.25809	6.3
387.27060	1.7
415.25552	3.5
429.27789	2.4
553.03815	1.5
582.40570	2.5
600.41919	10.7
601.42139	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
53.33538	1.5
55.01873	3.4
55.05510	15.3
57.07082	15.9
59.02185	1.8
59.03865	1.5
59.05003	3.2
61.03338	1.7
65.03947	4.4
67.05508	26.1
69.03419	6.5
69.07076	21.6
70.76827	3.7
71.05014	1.7
71.08620	3.2
79.05497	30.5
81.07064	37.9
83.04981	12.7
83.08626	15.2
85.06544	6.4
85.10174	2.3
87.04460	2.7
89.06036	7.0
91.05483	47.3
92.05798	2.7
93.07054	65.1
93.77675	1.5
94.07387	2.4
95.04991	11.7
95.08045	3.1
95.08614	43.2
97.06541	6.6
97.10170	3.3
98.02364	1.5
103.05465	3.1
105.07041	74.1
107.08604	63.9
108.08918	2.7
109.06492	9.7
109.10164	29.1
110.27398	1.6
111.08107	3.9
111.11714	3.6
113.09677	2.5
115.05446	6.8
116.06274	3.1
116.07079	2.9
117.07024	20.9
119.04945	2.0
119.06056	2.3
119.08595	100.0
120.09402	2.5
121.06547	9.8
121.10154	61.4
123.08111	13.1
123.11732	10.6
125.05996	2.2
125.09663	12.5
128.06203	10.9
129.07002	17.7
130.07825	7.4
131.08578	39.8
133.06532	3.8
133.07655	2.2
133.08604	5.4
133.10141	55.8
134.10526	2.0
135.08054	10.2
135.11722	24.0
137.09633	9.1
139.11185	6.1
141.06979	9.6
142.06732	2.5
142.07788	20.7
143.08574	35.7
144.09315	10.7
145.06497	5.3
145.10136	71.1
146.10594	2.2
147.04445	2.7
147.08052	6.9
147.11696	20.8
148.12148	1.8
149.09665	15.2
149.13255	6.3
151.07484	1.7
151.11139	2.7
153.07027	4.1
154.07765	3.0
155.08583	17.4
155.10623	1.8
156.09338	12.2
157.10141	46.6
158.10892	9.7
159.08119	10.3
159.09344	1.6
159.11710	41.9
160.12376	1.8
161.09618	11.1
161.13266	10.3
163.07576	2.5
163.11171	6.8
163.14825	2.2
165.06984	5.9
165.09064	2.4
165.40782	1.7
166.07729	1.9
167.08609	9.1
167.10690	55.6
168.09358	6.4
168.10970	2.9
169.10164	23.1
170.10901	8.0
171.11693	27.4
172.12408	3.4
173.09669	5.6
173.13257	27.1
174.13739	2.1
175.11200	5.5
175.14813	25.6
176.14993	2.1
177.11305	2.1
177.12773	4.3
179.08559	10.6
180.09311	3.9
181.10139	14.4
181.12239	6.5
182.10880	7.4
183.11723	25.9
184.12341	3.6
185.09671	5.2
185.13235	18.6
187.11211	4.0
187.14838	16.4
189.12782	4.5
189.16396	1.6
191.14389	4.1
192.09344	2.1
193.10181	10.1
193.16000	2.8
194.10899	5.0
195.11763	21.3
195.13547	3.0
196.12421	4.8
197.09676	2.9
197.13287	22.4
198.13829	2.7
199.11145	7.1
199.14873	7.9
201.12753	4.8
201.16370	10.5
203.14368	4.2
205.10150	2.5
205.15912	3.6
206.10966	5.8
207.11732	11.7
207.13461	1.6
208.12550	5.5
209.13286	24.4
210.14030	3.5
211.11339	3.3
211.14871	10.8
213.12717	6.1
213.16379	4.0
215.14299	1.8
217.10081	2.0
217.15836	3.4
219.11906	3.1
219.13869	4.3
219.17419	4.3
220.12401	2.8
221.13249	9.2
221.15297	3.6
222.13803	3.3
223.11403	2.7
223.14873	16.7
224.15479	3.0
225.12881	2.8
225.16405	5.9
227.14445	3.2
231.11694	2.5
232.12514	4.5
233.13222	5.3
233.15439	9.3
234.14006	1.8
234.16087	8.0
235.14816	6.7
236.15363	2.1
237.12756	2.6
237.16400	5.0
239.17986	3.8
241.15854	2.8
241.19525	3.5
243.11679	3.3
245.13264	3.3
246.13974	3.0
247.14810	6.6
249.16354	4.1
251.14206	2.2
251.18066	4.9
253.19455	2.9
255.17419	2.8
257.19254	1.7
258.13974	2.6
259.14767	3.7
259.20660	2.4
261.16394	2.4
263.17886	3.0
265.16016	1.7
265.19446	3.0
267.17239	1.9
269.19031	3.5
271.20758	2.7
273.16241	3.9
277.19608	2.1
279.17401	1.9
281.18988	2.4
283.20450	4.0
285.18732	2.7
285.21967	2.8
289.19467	2.5
295.20490	3.5
297.22095	4.8
300.20624	2.3
309.22116	2.6
338.25931	2.5
347.23663	3.9
349.25107	2.3
351.23004	2.0
362.25809	2.0
363.26782	12.0
447.32339	2.8
465.33868	5.3
539.38556	3.3
557.39917	12.4
582.40204	3.6
600.41766	18.5
601.23114	2.5
601.41632	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	600.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.01835	0.2
63.02380	0.5
69.03438	0.5
69.49674	0.4
69.50079	1.5
76.30480	0.2
78.04706	0.4
79.05477	0.4
81.03425	0.9
82.52621	0.2
85.02899	0.5
89.03918	9.7
91.05467	0.7
93.07018	0.3
93.54922	0.3
95.04963	0.5
98.20613	0.2
98.71379	0.2
103.05462	0.7
105.07090	0.2
109.02908	0.4
117.03386	24.8
119.77337	0.2
124.05215	0.2
131.04947	1.0
134.03621	1.9
135.04434	1.5
145.02852	56.4
146.03142	0.3
147.04420	0.4
149.05988	8.3
153.07016	0.5
155.07379	0.2
155.08563	0.5
158.06012	0.3
160.64729	0.2
162.03145	0.3
163.03908	0.7
168.96281	0.3
170.09663	0.4
176.07060	0.4
177.05475	100.0
178.05814	0.7
180.08061	0.4
181.06490	0.3
186.05484	1.0
198.09171	1.4
199.07533	0.5
216.10234	0.7
226.08711	0.6
229.07253	0.5
244.09711	22.2
262.10757	19.3
321.09714	0.6
339.10739	0.7
343.13165	0.2
386.24734	0.2
406.14929	1.6
424.16034	14.7
438.14999	0.3
537.94098	0.3
561.85016	0.2
576.20935	0.2
600.20605	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.1
55.05516	17.0
57.07066	11.1
57.21759	3.3
59.04973	4.7
67.05514	23.7
69.03428	15.1
69.07070	17.2
70.85012	7.0
77.03938	4.9
79.05498	34.0
81.07069	44.6
83.04997	15.6
83.08607	10.6
85.06535	8.0
87.04465	4.2
89.05456	3.0
91.04961	4.6
91.05488	55.1
93.07054	67.4
95.04978	27.3
95.08611	28.0
97.06536	8.9
103.05479	7.7
105.07037	100.0
106.07844	4.5
107.08611	61.7
109.06536	20.7
109.10162	15.8
111.08091	5.9
115.05441	7.7
116.06268	4.3
117.07033	23.7
119.08591	79.3
121.06512	12.1
121.10157	44.8
123.08073	35.4
123.11726	4.3
125.05974	4.2
125.09678	8.9
128.06223	15.0
129.07019	23.7
130.07790	10.8
131.08586	47.7
132.09358	5.0
133.06496	10.9
133.10143	41.3
135.08073	26.4
135.11713	14.8
137.05994	4.0
137.09645	18.2
139.11179	3.7
141.06990	6.0
142.07779	29.3
143.08575	53.6
144.09344	15.1
145.06516	8.2
145.10130	62.4
147.08061	39.6
147.11731	19.1
149.09648	19.1
150.10406	4.1
151.07523	20.2
153.07172	3.5
153.09016	3.7
155.08588	26.7
156.09419	20.4
157.10147	81.9
158.10896	11.5
159.08104	19.9
159.11691	40.7
161.09641	15.4
161.13274	10.8
163.07535	5.3
163.11240	17.4
165.06989	7.8
165.09143	54.7
167.08542	11.3
167.10732	9.1
168.09329	6.0
169.10152	29.4
170.10846	12.0
171.11673	41.0
172.12463	9.3
173.09633	13.3
173.13249	17.7
174.13870	3.9
175.11191	32.2
175.14810	5.3
177.09093	4.4
178.07576	3.8
179.08582	9.5
179.10654	4.7
180.09354	6.3
180.11497	4.1
181.10147	22.4
181.12242	10.4
182.10889	9.5
183.11700	30.0
184.12471	5.5
185.09657	6.3
185.13261	21.7
186.14009	4.0
187.11182	11.1
187.14793	9.6
188.11972	4.2
189.12776	14.2
190.13506	11.0
191.10683	4.7
192.09224	4.4
193.10138	17.2
193.12248	11.5
194.10895	12.5
195.11746	31.3
196.12508	10.2
197.09654	6.3
197.11618	4.1
197.13222	21.8
199.11209	16.7
199.14891	9.5
200.12126	5.4
201.12790	11.9
203.14333	29.9
207.11707	16.2
207.13814	20.2
208.12422	11.9
208.14633	10.6
209.13348	19.1
209.15109	4.9
210.13998	6.1
211.11249	5.8
211.14915	16.5
213.12775	10.1
213.16277	5.2
215.10728	7.6
218.11021	4.9
218.16618	4.8
219.11667	8.8
219.13820	9.1
220.12537	5.8
221.13295	13.1
221.15347	92.2
223.14879	15.3
225.12711	13.0
225.16431	8.7
227.14325	7.1
229.15912	5.2
230.12984	4.3
233.15344	20.1
234.13972	6.3
234.16110	14.3
235.14792	12.6
235.16902	4.4
237.12701	7.3
237.14693	34.4
239.14284	5.2
239.18140	5.3
241.15981	6.0
245.13240	7.4
245.15500	3.7
247.14833	4.6
247.17003	10.0
248.14006	8.0
249.16353	10.9
253.15906	7.1
255.17525	19.6
258.13882	3.8
259.14786	3.7
259.17212	4.7
261.16333	7.7
263.18106	4.9
264.18842	3.6
265.19476	4.0
269.19098	4.1
270.19775	9.3
271.17050	7.2
274.19327	24.2
279.17636	7.2
281.19092	5.7
285.18457	4.0
286.19278	17.6
287.19989	13.9
294.19879	5.6
295.20361	4.2
297.18445	7.0
299.20248	15.6
303.19574	44.6
310.19241	4.1
311.20004	4.1
312.20834	8.7
313.21716	28.9
324.20880	4.5
325.21729	16.1
337.21790	7.8
352.23999	94.1
365.24908	22.7
377.24829	6.1
383.25900	4.5
420.30261	6.4
457.36444	4.5
502.34161	6.5
503.35052	10.2
505.32867	6.1
507.34531	10.5
508.35950	3.8
520.35529	56.7
561.63397	3.5
600.41663	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	599.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01867	1.3
55.05505	4.2
56.96574	1.0
57.07074	5.8
59.04994	2.4
65.03943	1.5
67.05502	11.7
69.03432	8.1
69.07082	3.9
71.04990	0.9
71.58841	1.4
78.04656	0.8
79.05495	10.3
80.77384	0.7
81.03421	1.1
81.07056	18.6
82.07382	1.2
83.04983	3.9
83.08656	2.3
85.06551	2.8
91.05486	16.6
93.07051	24.6
95.04965	5.6
95.08611	15.5
96.08937	1.7
97.06538	3.2
97.10172	1.1
98.97601	1.0
103.05463	1.2
105.07030	24.6
107.08607	15.3
109.06500	6.0
109.10172	6.8
110.10504	1.1
111.08134	0.9
112.12632	0.7
115.05456	1.5
116.06287	0.9
116.98663	0.8
117.07030	5.4
119.08582	28.9
121.06502	5.8
121.10146	17.4
122.37554	0.8
123.08083	11.6
123.11732	2.4
125.06016	2.4
128.06252	3.1
129.07037	3.8
130.07820	1.4
131.08569	10.6
133.06535	2.8
133.10138	15.9
135.08058	10.4
135.11700	5.3
137.09616	12.5
139.07564	2.3
141.07025	3.0
142.07791	7.8
143.08569	11.8
144.09392	2.9
145.06509	1.4
145.10133	16.4
147.08049	21.9
147.11734	3.4
148.08803	1.0
149.09605	4.4
149.13268	2.3
151.07561	9.3
153.07033	1.9
153.09117	1.1
155.08556	5.9
156.09375	5.7
157.10138	16.3
158.10957	1.3
159.08089	3.3
159.11691	9.7
160.08838	0.8
161.09604	5.6
161.13283	7.6
163.11188	5.6
165.06967	1.8
165.09120	44.6
166.07875	0.9
167.08580	2.3
167.10680	2.0
168.09296	1.8
169.10156	8.3
170.10956	3.3
171.11716	11.1
172.08914	0.8
173.09648	3.1
173.13261	4.3
175.11220	3.2
175.14928	2.3
177.09148	2.0
177.12701	1.2
179.08620	3.2
179.14328	1.3
180.09380	1.0
181.10245	4.5
181.12199	7.1
182.10971	3.2
183.11697	11.0
185.09625	2.1
185.13239	6.5
187.11240	3.6
187.14810	1.9
189.12817	4.0
191.10666	3.9
191.14267	1.9
193.10199	3.1
193.12238	1.8
194.11061	1.8
195.11725	3.4
195.13657	1.6
196.12500	2.4
197.09634	1.6
197.13254	4.3
199.11229	2.2
199.14885	1.1
201.12715	1.1
203.14340	17.6
205.10063	0.8
206.10768	0.9
207.11768	3.4
207.13841	5.7
208.12511	1.1
209.13332	6.1
209.15283	1.9
211.11197	2.2
211.14864	4.4
213.12762	2.6
215.14328	0.8
219.11780	1.2
219.17554	0.8
220.12471	1.2
221.15366	100.0
223.11322	1.2
223.14922	2.4
225.12741	1.8
225.16270	1.2
227.14368	1.2
227.17880	1.0
229.12346	1.1
229.16022	1.5
231.13870	1.4
233.13358	1.6
233.15363	4.0
235.14906	1.3
237.12749	1.4
237.16617	0.9
239.17966	1.1
241.15999	0.9
244.21542	1.6
247.16917	16.5
253.15915	1.1
261.22232	1.8
262.22528	3.8
263.17953	1.1
267.17554	1.0
269.18881	1.5
271.17099	1.2
272.17560	0.8
281.19067	2.2
282.95966	0.8
286.19397	1.0
287.20184	8.0
289.19467	1.1
291.17325	0.8
299.20200	6.0
301.21664	1.5
311.20212	2.2
312.20813	0.9
313.21741	2.7
325.21634	1.5
327.23141	2.0
335.20120	0.9
354.27600	1.2
365.24918	4.8
373.25510	1.1
375.61801	0.8
377.24966	1.2
391.26297	10.7
413.27182	0.8
419.29535	3.4
427.28397	4.9
453.30258	0.9
507.34756	8.4
519.34857	3.0
527.10901	0.9
558.31659	2.0
576.32983	4.1
581.40039	2.9
590.76538	1.0
599.40997	55.3
600.40601	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	599.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58617	1.2
67.05502	2.6
67.36167	1.3
70.06616	1.5
71.60249	2.3
79.05463	2.2
81.03422	2.0
81.07040	1.7
91.05492	4.4
91.48772	1.3
93.07073	2.8
94.06551	1.7
95.08629	1.5
97.02908	2.0
105.07031	2.4
107.07366	2.4
108.08124	5.0
109.10156	2.1
122.06045	3.4
122.09686	23.9
146.05983	1.8
147.04414	3.5
152.00868	1.3
153.88734	1.6
162.05478	1.4
163.03885	3.1
172.03972	5.8
174.05458	1.6
176.07042	2.3
190.05052	1.8
204.06506	9.9
209.10858	1.7
211.08717	2.4
213.10074	1.5
223.08614	1.5
224.09325	1.8
225.10193	3.4
227.11810	2.8
237.10188	1.9
238.10930	2.2
239.11916	4.3
249.10291	3.4
251.08141	1.9
251.11859	1.6
253.09782	1.9
265.09818	3.2
267.11359	3.1
269.12805	3.9
279.11362	2.3
281.12842	8.2
283.10840	5.6
284.11508	3.8
285.12439	3.2
287.13870	5.1
289.13376	2.4
292.08868	1.7
297.12381	1.6
311.14172	1.7
312.15002	3.1
314.12967	2.0
326.16696	3.0
327.17410	4.1
328.14481	3.5
329.15335	2.3
330.16034	3.2
342.12341	7.5
342.16071	2.1
344.17697	1.6
354.12390	1.8
355.13422	2.1
356.13943	6.4
357.14780	3.2
358.15625	7.6
368.14044	2.3
370.15723	7.8
371.16400	3.3
372.17227	3.3
382.11893	6.5
383.12784	4.0
384.13495	8.1
385.14163	3.8
386.18576	7.1
394.15787	1.7
398.15051	20.2
399.15787	42.7
412.16513	3.5
414.18201	4.5
416.16180	6.2
430.17532	7.5
431.18286	2.0
440.15897	3.9
444.18939	1.8
458.17157	100.0
472.18536	8.8
490.19778	82.2
491.19980	2.5
567.26123	2.6
599.31360	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	599.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33464	0.6
53.03937	1.0
55.01879	1.5
57.03431	0.8
69.03414	0.8
69.48033	5.2
70.06613	1.9
79.05476	1.6
81.03449	1.2
85.02911	2.3
89.56039	0.6
90.06789	0.6
91.05474	0.9
93.26156	0.6
95.04983	1.7
97.02930	1.0
107.04966	100.0
108.05273	0.7
121.02853	1.6
123.04404	0.7
127.01539	0.6
131.04930	1.5
133.06577	0.7
139.03943	1.1
145.02834	0.9
147.04474	2.1
149.06056	1.5
151.03932	1.3
152.02606	0.7
157.06488	0.8
163.03922	2.5
171.04413	0.8
173.06041	1.0
175.03938	2.6
177.05510	3.6
181.04980	2.7
183.69719	0.7
187.03944	1.8
189.05406	0.9
193.04955	3.4
201.05579	1.8
205.04985	5.8
212.06564	0.8
213.05516	0.8
217.05043	5.3
219.06488	1.6
221.04456	1.8
223.06026	1.2
229.05034	2.5
231.06505	1.6
235.06017	2.3
241.04916	1.2
243.06618	1.2
245.07954	0.7
247.06018	5.6
255.06693	1.1
257.04486	0.9
259.06052	8.1
271.05981	3.2
277.07211	1.9
283.06006	2.1
285.07660	1.5
289.07074	2.3
297.07721	1.6
299.09256	1.7
301.07004	3.9
311.09531	1.6
313.07199	3.4
317.10422	1.1
323.09094	0.8
325.07086	2.1
329.10361	2.5
341.10062	3.5
343.08127	1.1
353.10278	4.6
365.10025	3.3
377.10373	1.5
383.11340	6.8
389.10306	1.6
395.11325	9.1
407.11234	7.2
413.12225	2.6
419.11215	6.2
425.12341	3.0
431.13535	9.6
443.13516	3.1
449.12289	5.9
461.12360	4.5
462.13361	0.7
467.13324	3.0
473.12195	1.1
479.13571	4.1
482.02814	0.7
485.14459	2.5
491.13168	1.8
497.14392	5.2
509.14520	1.8
527.15564	1.2
545.16174	0.8
599.22388	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	598.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
58.20421	1.4
58.66664	1.5
60.04517	5.2
61.02937	1.5
66.55920	1.2
69.03419	4.3
71.59632	2.1
79.05488	5.4
81.03030	1.7
81.03423	15.6
81.07037	1.9
85.02916	11.5
91.05486	3.5
91.61156	1.3
93.07057	3.6
95.04967	3.5
97.02884	4.5
103.05477	3.2
105.07021	2.8
107.04974	10.4
109.02894	2.4
110.49531	1.5
111.04337	1.3
115.05460	7.7
117.07014	14.3
119.08578	1.6
123.04418	3.1
127.03903	4.2
127.36369	1.5
128.06226	1.5
129.06949	1.9
131.04907	3.2
131.08589	4.0
133.06525	1.7
135.11684	4.0
144.05656	3.0
145.04939	2.3
145.05127	2.4
145.06493	37.4
147.04375	2.1
153.05400	1.6
155.06050	5.1
156.05736	8.0
157.06459	1.9
159.08069	5.1
161.05971	3.5
163.07556	2.1
167.07053	52.0
173.05992	61.6
180.08650	4.7
181.04973	2.8
184.05194	2.0
187.07542	7.6
190.06265	37.9
190.07994	2.4
191.06964	2.4
193.08591	2.1
195.13646	1.4
202.06163	2.6
203.07018	5.6
205.08617	100.0
207.06544	2.1
214.08810	1.6
217.08623	42.1
219.08188	1.8
219.10165	3.9
223.09659	3.3
233.07927	2.3
233.65169	1.5
235.07468	3.0
235.09651	28.3
247.07417	2.5
247.09665	5.0
261.09036	1.8
264.07443	1.4
265.10767	25.1
271.09668	1.6
315.08533	5.1
330.10986	5.9
331.11899	2.9
332.28210	2.9
350.29105	2.1
351.12241	4.3
351.32895	1.5
371.14801	1.7
383.15067	11.3
401.16107	10.5
418.15991	2.8
452.84863	2.1
598.34253	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	597.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.01869	2.0
57.03426	1.2
59.26182	0.8
65.03931	2.3
67.05479	2.0
69.03127	0.7
69.03429	5.6
70.06606	1.0
71.58504	1.0
79.05499	5.9
81.03413	3.3
85.02917	8.2
91.05486	2.8
93.07048	1.0
95.04980	1.7
97.02881	1.6
103.05437	0.9
105.07026	1.3
107.04954	10.4
109.02927	1.0
115.05457	3.3
116.06220	0.9
117.07024	3.4
119.04929	0.9
119.08598	1.7
123.04430	2.6
124.05207	2.6
125.05988	1.7
127.03911	3.3
129.06999	2.9
131.04956	1.6
131.08597	1.5
133.06509	1.5
137.06029	0.8
141.06979	1.4
142.02609	0.9
144.05731	2.2
145.06479	5.0
151.03874	0.9
152.04802	1.0
153.05499	0.9
157.06569	1.4
159.04419	1.1
159.08089	2.4
161.05992	3.1
163.03860	1.7
167.07062	29.8
171.06525	1.3
172.05202	15.3
173.06033	4.3
175.07553	1.8
177.05484	2.5
181.04982	30.8
182.08229	0.8
187.07578	3.2
189.05522	2.6
190.06326	1.6
195.06660	1.2
200.04718	6.9
201.05533	3.0
205.08600	3.9
206.05724	1.0
207.09975	1.0
209.08047	0.9
211.06042	1.2
217.08572	1.5
218.05739	12.6
219.06442	1.7
219.10216	2.1
221.08090	3.5
233.08099	100.0
235.09688	1.9
245.08144	2.9
247.07675	1.1
249.05450	1.3
263.06543	2.0
263.09174	27.6
279.10226	1.3
281.10455	1.1
291.06750	1.4
293.08090	0.9
307.09753	1.7
331.07837	0.9
335.09302	1.6
339.12552	1.5
346.10495	1.9
352.09531	1.5
353.10263	0.8
355.11728	1.1
367.11826	2.9
387.14252	4.2
399.14456	5.9
417.15430	49.3
418.15604	1.1
435.16449	1.5
597.33179	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	597.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	8.1
65.57110	1.2
71.11952	1.7
84.96040	5.5
85.02933	1.6
90.74580	1.1
98.97592	48.0
99.37379	1.1
109.26888	1.1
110.97569	20.7
112.89588	1.5
112.99183	1.1
114.89334	1.3
116.98621	18.7
124.99136	1.6
128.98615	21.8
134.99644	3.0
140.98613	4.6
143.00156	8.1
146.99660	6.1
152.98630	2.8
158.99663	22.3
159.00888	2.0
161.01237	4.0
170.99670	31.3
173.01228	1.8
174.99155	1.4
177.00723	11.9
182.99667	13.4
189.00728	26.0
194.99504	1.1
201.00719	36.3
203.02295	1.7
207.01782	2.3
213.00742	2.7
217.50842	1.2
219.01776	33.2
224.02202	1.7
231.01709	3.4
237.02831	27.9
243.01773	15.3
245.05104	1.7
254.99486	2.2
255.03917	11.3
260.04416	1.4
261.02832	60.7
273.00430	3.5
273.02954	5.4
279.03912	27.6
291.03943	9.9
297.05038	1.9
303.03745	1.5
309.04935	1.3
315.04202	1.6
321.04926	23.8
333.04910	4.2
345.10175	2.4
347.69174	1.2
351.06201	6.2
381.07123	13.4
399.08200	15.0
407.94873	1.2
417.04721	100.0
418.05066	2.1
435.05798	11.0
441.09253	24.1
458.07260	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	597.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.8
60.47893	1.3
66.71123	1.6
71.58652	2.3
73.53709	1.2
84.96038	3.2
98.97591	47.3
110.97585	20.6
112.89603	9.4
112.99108	1.8
113.14755	1.3
114.89367	5.2
116.98639	14.3
124.99127	1.6
128.98622	19.9
134.99680	3.6
140.98634	3.7
143.00183	9.0
146.99643	6.7
152.98633	2.7
158.99661	17.5
161.01231	4.6
170.99663	25.2
177.00720	11.9
182.99654	14.1
189.00752	22.3
194.99692	1.7
201.00720	36.8
213.00746	3.4
219.01767	28.8
219.51019	1.5
219.74252	1.5
230.35760	1.4
231.01889	4.1
237.02832	21.9
243.01759	16.2
254.99501	2.9
255.03918	10.3
261.02856	57.9
261.05630	3.0
264.07590	1.9
273.00406	3.2
273.02921	4.6
279.03928	32.8
291.03885	10.3
302.05444	1.6
303.20898	1.4
321.04913	20.7
333.04919	4.5
351.06100	7.1
381.06961	16.9
399.08160	18.9
417.04712	100.0
418.05280	1.7
435.05823	12.4
441.09219	20.6
458.07181	1.8
618.69391	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	596.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
53.03942	2.9
53.11066	0.8
55.01863	1.4
55.05512	2.5
56.05037	3.6
57.03438	2.6
60.04531	100.0
61.02949	1.3
65.68633	0.9
66.92206	1.0
67.05507	12.3
68.05026	1.1
69.03444	11.1
69.07078	3.5
70.06602	2.1
70.85098	0.9
71.05002	4.0
71.14274	2.3
72.04522	4.8
73.02895	1.9
74.06080	3.6
79.05504	10.0
80.05003	2.0
80.32046	0.8
81.03426	10.6
81.07063	13.3
82.06602	1.9
83.08642	1.0
84.04506	1.3
85.02416	1.7
85.02909	18.4
86.06069	2.5
87.00840	5.2
90.05572	1.1
91.05492	9.7
93.07047	9.5
94.06580	3.3
95.04964	1.9
95.08618	8.9
96.08130	1.5
97.02901	6.7
97.06526	1.2
98.06042	1.2
99.04462	4.4
102.05535	1.1
104.07123	1.9
105.01883	2.3
105.07050	4.1
107.04964	1.7
107.08595	4.9
109.02895	8.2
109.10178	3.2
110.06065	1.4
117.07034	3.5
118.56071	1.0
119.08607	4.3
121.02828	1.4
121.06474	0.9
121.10220	4.6
123.11718	1.0
124.07720	1.1
127.03938	10.7
129.01866	1.5
131.08592	4.1
133.10153	3.5
135.11691	3.0
145.04979	2.1
145.06573	1.1
145.10146	2.5
147.02869	1.1
147.04436	1.9
147.11670	1.7
153.01958	1.0
157.10173	1.9
159.02943	2.1
159.11639	1.2
159.19749	1.1
167.07057	4.0
178.38203	1.0
181.04993	6.1
190.06302	1.0
191.06987	1.2
195.12361	2.5
217.19577	0.9
231.05086	1.3
232.58316	1.1
233.08141	2.8
241.19756	1.1
259.20752	1.1
271.05966	4.3
272.06433	5.8
276.23358	3.0
287.05573	9.0
288.05832	10.6
294.24283	5.0
310.11450	1.9
312.25372	12.8
330.26422	42.7
348.27472	35.4
354.26245	1.2
386.15237	1.1
390.28397	2.2
417.15491	3.6
492.31525	1.1
510.32361	1.4
520.17169	2.4
534.32898	5.7
536.16870	1.3
552.19781	1.2
552.33832	4.2
560.30920	1.9
564.15820	2.9
578.31769	39.9
579.32129	1.6
596.32776	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	596.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.05515	12.7
57.03440	5.5
57.07073	4.3
57.89495	2.3
64.37016	2.3
65.03937	2.1
67.05170	4.7
67.05509	65.0
67.93163	3.0
69.03433	2.6
69.07081	11.4
70.72296	2.8
70.72617	4.9
73.02926	3.1
73.06491	2.4
79.05493	43.0
81.03432	3.9
81.07065	78.6
83.08641	5.8
83.26767	2.4
85.06574	2.1
91.05475	24.6
93.07051	60.6
95.08610	60.2
97.06525	4.3
99.04444	3.3
99.97621	2.6
103.34760	2.5
105.07043	19.6
107.08610	31.6
109.02873	4.4
109.06521	2.0
109.10160	26.5
110.03720	3.8
113.14893	2.3
117.07013	12.3
119.08565	13.9
121.10155	24.6
122.10659	2.5
123.11699	14.6
127.03912	2.9
131.08577	19.2
133.10165	16.4
135.11678	29.2
137.13342	3.3
137.43285	2.4
145.10132	15.7
147.11725	11.5
149.09741	2.6
149.13254	18.6
151.14777	3.6
159.11705	15.4
161.13188	11.6
163.14842	17.5
173.13249	13.6
175.14853	5.2
176.61658	2.2
177.16396	6.8
179.14310	3.7
185.13402	2.9
187.14854	9.0
201.16331	4.3
237.90685	2.7
243.21106	43.3
261.22165	100.0
263.57574	2.3
279.23187	2.7
335.25861	21.0
353.26898	36.4
373.21298	2.7
456.97668	2.6
512.54736	2.5
561.27271	4.3
576.05798	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	595.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43060	4.2
55.05511	14.7
57.03434	7.1
57.07074	8.7
57.17410	4.7
58.41949	5.5
62.43685	4.8
67.05501	17.5
69.03422	11.6
69.07080	29.9
71.08639	6.4
79.05496	18.0
81.03417	16.3
81.07067	100.0
81.49715	4.4
83.08624	19.9
85.02911	17.7
85.06554	7.8
86.72037	5.8
87.00832	11.4
91.05508	8.0
93.07053	26.8
95.08614	43.1
97.02889	13.9
97.10172	9.5
99.04459	7.6
105.01878	9.8
105.07032	6.6
107.08606	25.3
109.02905	8.5
109.10162	25.2
111.08088	8.3
111.11715	12.5
119.08596	10.1
121.10133	17.6
123.11719	16.6
125.09612	6.1
127.03914	16.2
135.11710	11.3
137.13254	17.7
145.05017	4.7
149.13268	41.7
151.14728	5.7
155.14310	39.7
156.49878	5.1
161.13315	4.6
163.14815	8.8
167.14278	23.4
179.17790	5.1
238.09019	4.8
275.27313	17.9
293.28357	41.1
311.29520	10.5
368.42215	6.4
398.92514	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	595.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66974	22.5
67.05499	27.0
69.03371	23.3
69.07071	40.3
69.69474	100.0
69.69888	47.4
81.07050	62.9
85.02909	38.5
87.00829	25.6
90.64466	19.1
91.58815	18.9
93.19245	20.4
95.08620	48.6
105.01858	30.6
107.74777	20.7
108.08086	25.9
109.10147	43.3
120.08127	34.3
123.11781	23.0
136.07581	42.2
137.13272	40.2
138.05455	44.1
144.04384	33.3
147.04460	24.0
148.07561	89.8
149.07961	34.9
172.03972	49.5
190.04919	28.4
204.06548	33.4
237.10220	33.6
245.45752	20.5
252.08788	27.5
254.09050	27.4
265.09695	33.1
287.40308	24.9
293.28326	27.8
325.11877	38.3
329.10046	23.0
350.32990	24.3
411.12350	27.2
460.18539	51.8
490.18723	27.3
564.19855	31.3
595.23981	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	595.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32221	10.3
51.53284	8.5
55.05509	13.9
65.89226	10.3
67.05487	16.2
69.03419	13.1
69.07064	39.5
69.28488	20.0
69.28896	100.0
71.37527	12.0
79.05505	10.4
81.03410	13.8
81.07071	67.1
83.08610	23.3
85.02913	12.1
85.06583	11.6
92.97084	10.3
93.07068	13.3
93.14812	11.9
95.08626	52.7
95.70689	10.8
97.06453	9.6
97.10171	12.7
98.21510	23.6
105.01871	11.9
107.08596	24.7
109.10154	36.9
111.11730	18.3
123.11695	15.0
123.38603	10.8
126.62218	10.7
137.13292	13.1
147.04395	11.8
149.13243	25.1
167.14264	12.5
293.28308	24.0
418.15051	10.5
602.21997	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	595.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01868	0.7
57.03419	1.1
61.02909	1.0
65.03944	5.4
65.78841	0.5
67.05512	2.8
69.03433	2.9
70.06590	1.2
71.37602	1.2
77.03950	0.7
79.05497	9.3
80.65324	0.5
81.03403	1.5
81.07066	1.0
82.00530	0.5
82.04198	2.0
85.02911	7.8
91.05473	1.7
93.03395	1.2
95.04965	5.2
97.02889	1.6
97.06542	1.9
98.71843	0.5
103.05476	1.0
105.07026	5.5
107.04964	28.6
108.02080	1.3
109.02861	0.9
110.03651	2.7
111.04452	1.0
115.05441	2.5
117.07039	3.0
121.06467	0.8
122.03727	0.5
123.00843	0.6
123.04452	3.6
124.05241	4.3
125.05997	3.8
127.03943	1.2
131.04964	1.2
133.06514	6.8
137.05940	1.0
138.03096	1.9
139.07559	0.5
140.04715	0.8
142.02634	2.3
145.06477	5.0
147.04425	1.0
149.05959	1.0
152.04665	2.2
153.05452	1.9
155.05949	1.1
155.07030	1.3
160.05141	0.9
161.05994	9.8
163.03922	0.6
167.07056	42.6
171.06554	5.2
172.05272	0.6
173.06015	3.3
175.07541	0.6
178.06290	0.8
179.06966	0.7
181.04970	100.0
182.05307	0.9
183.06511	3.1
188.07138	1.5
189.05435	1.8
190.06253	1.2
191.07040	1.1
191.69479	0.6
192.07840	0.6
193.08611	12.0
198.97987	0.5
201.05467	1.2
205.08598	2.2
206.05762	1.4
207.06541	1.3
217.08649	0.8
219.08105	0.9
221.08102	22.6
233.08090	15.8
249.07579	8.3
261.07520	5.3
264.66000	0.6
271.06107	3.5
279.08646	1.9
293.07928	0.7
307.06113	0.7
322.08453	1.1
323.09158	0.5
325.06992	0.7
337.06808	0.7
337.10794	1.4
369.13409	0.6
383.11292	1.1
387.14481	1.8
397.12775	2.0
403.13913	51.6
404.14191	0.8
409.10623	0.5
414.21143	0.6
415.13882	31.9
433.09506	0.9
433.15027	11.1
483.89059	0.5
565.19104	6.1
595.20239	3.4
601.26886	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	595.1659
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
61.02943	2.2
61.86309	1.9
65.03944	2.7
70.09193	7.1
73.02913	1.9
85.02905	5.9
91.05485	2.0
107.04910	2.8
109.02863	2.4
119.04929	7.8
121.02882	35.2
123.04466	2.1
145.02885	5.2
147.04475	2.7
149.56805	2.4
159.04495	2.1
175.03981	2.0
177.01826	4.1
179.03336	3.1
181.04970	4.6
187.03848	2.3
189.01854	9.2
191.03462	5.9
195.02931	7.0
203.03398	12.0
207.02882	8.7
215.03362	3.2
217.05002	5.3
219.02890	6.3
221.04472	2.4
229.04939	5.3
233.04346	2.0
255.02962	3.1
267.06470	4.4
268.07202	3.9
271.06015	2.2
279.06552	4.8
280.07187	2.0
281.08118	5.7
283.06049	6.8
285.04004	2.6
294.05298	20.5
295.06018	82.3
296.06766	6.3
297.07584	7.5
307.05972	45.6
308.06866	19.2
309.04388	3.6
309.07520	16.3
313.07031	6.7
319.06070	5.7
320.06741	5.7
321.07581	29.2
322.08334	12.5
323.09085	5.7
325.07065	100.0
333.07687	6.2
335.09039	19.7
336.06339	2.3
337.03122	4.1
337.07071	60.6
337.87680	3.0
339.08365	3.1
346.08453	3.3
347.09125	13.5
349.07056	29.7
349.10840	3.5
351.08655	24.2
355.08215	22.2
357.07422	5.1
361.07034	16.3
361.10867	2.7
363.08658	8.5
365.06357	2.3
365.10236	10.4
367.08340	4.2
373.06976	7.8
375.08682	10.5
377.06161	2.8
379.08133	58.6
385.06882	4.2
387.08264	3.2
389.10309	5.6
391.08023	31.3
403.08087	25.0
409.09186	50.0
415.08392	2.9
417.09598	3.2
421.09195	25.4
427.10318	42.4
433.09485	2.7
439.10263	31.4
445.09354	4.0
457.11319	96.2
458.11804	4.0
463.10159	5.7
469.09241	2.3
475.12231	17.4
481.11258	28.3
487.10733	3.4
493.10941	3.5
499.12344	19.8
505.11252	8.3
511.12387	19.9
523.12421	24.4
529.13104	8.3
541.13409	31.2
559.14606	27.4
577.15710	9.5
584.96814	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	594.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.7
55.01873	9.1
55.05513	12.9
58.82608	4.2
60.04523	17.7
65.03933	4.3
67.05502	22.1
69.03432	23.2
69.07069	34.4
70.06640	5.2
70.80864	5.4
70.81181	5.8
71.04996	7.3
73.03330	4.9
74.06091	9.9
79.05493	40.8
81.03419	24.9
81.07065	42.6
83.04992	60.3
83.08620	7.3
85.02912	23.3
85.06573	4.1
87.00801	4.9
87.75548	5.2
90.17664	4.0
91.05478	33.8
93.07049	46.0
95.04964	25.9
95.08600	22.5
97.02912	13.2
97.06539	63.4
99.04454	17.7
100.11262	9.9
105.07030	79.4
107.04954	21.8
107.08601	34.8
109.02890	15.8
109.06516	27.1
109.10144	8.1
111.04434	5.0
111.08129	4.6
116.14850	4.7
117.07011	22.5
119.04932	18.5
119.08595	17.3
121.06492	43.6
121.10171	13.0
123.08130	5.4
125.05999	71.5
125.80352	4.8
127.03941	9.2
127.07541	4.5
128.06235	5.9
129.06993	9.8
131.08577	25.4
133.06493	17.6
133.10143	13.2
135.04462	8.6
135.08070	12.9
135.11682	12.0
137.05963	26.9
137.07875	4.3
137.09695	4.6
139.07565	5.8
141.06996	8.0
143.07028	36.7
143.08572	16.8
145.06503	14.7
145.10130	85.3
147.04405	51.4
147.08044	12.8
147.11687	18.1
148.07623	8.2
151.07520	10.3
154.07782	6.2
155.08511	5.8
157.08641	10.1
157.10144	9.3
158.07278	12.0
159.08081	18.6
159.11725	48.4
161.09634	6.8
161.13293	5.1
163.11185	45.8
169.08800	5.4
169.10139	13.0
169.86897	5.1
173.09633	63.2
177.12825	8.8
179.08569	9.8
179.14366	5.1
181.06544	4.7
181.12364	4.8
182.07237	6.6
182.15428	7.9
185.09625	6.4
187.07623	6.6
187.11218	62.2
189.09125	5.1
189.12766	10.2
191.10672	25.2
197.07965	4.3
197.09494	20.8
203.10780	4.8
205.12268	45.6
210.14848	8.5
215.10638	76.1
217.12334	5.5
225.12720	5.9
233.11737	100.0
243.10197	6.1
251.12807	67.8
269.13791	9.0
275.20151	13.3
279.12286	9.8
281.11600	7.4
293.13934	4.0
293.21112	19.5
299.12885	7.0
304.48486	4.5
311.22427	4.5
317.13882	4.6
323.10208	9.0
339.13345	5.8
341.13910	7.9
346.29666	6.3
359.15128	11.4
377.16013	9.9
395.16913	12.6
550.21252	7.6
594.24683	9.6
594.34332	9.1
594.46039	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	594.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77816	0.5
59.70327	0.4
62.35032	0.5
66.04704	0.6
67.05505	0.6
69.62194	2.1
69.62615	1.4
70.06616	0.5
79.05497	1.7
81.07053	1.1
85.02883	0.6
91.05492	2.2
93.07037	0.5
94.04182	3.8
95.08603	0.7
97.02901	0.6
101.00715	0.5
105.07035	1.1
107.04945	1.7
108.08130	0.9
109.02909	0.6
117.07050	0.7
119.04918	1.0
119.08587	0.6
120.08109	1.4
121.02849	1.8
121.08453	0.9
122.03661	8.4
122.06002	0.5
127.03902	0.8
130.04121	0.5
131.04901	0.7
131.44341	0.5
133.06512	0.9
136.07585	2.0
137.05988	100.0
138.06339	0.6
145.02815	1.0
145.06497	5.4
146.06012	0.8
147.04425	2.1
148.07597	3.3
149.07933	1.7
151.03952	1.6
158.03600	0.6
161.05980	3.6
162.05539	1.6
162.06825	1.4
163.03879	0.7
166.08617	0.8
172.03876	0.9
173.05998	1.4
175.03967	0.6
177.05501	1.9
178.07802	0.8
185.05949	1.0
188.07121	1.8
189.07077	1.1
190.05014	1.0
201.05493	8.0
205.06563	1.1
206.07283	2.6
213.05490	11.1
216.04210	0.8
217.06514	1.3
218.07338	1.2
219.08171	0.9
224.09216	0.7
231.06465	4.4
233.05931	0.7
234.06784	8.2
235.07582	2.0
237.05534	0.5
237.10278	1.0
238.10451	0.6
245.05995	2.3
246.06731	0.6
247.07562	1.1
248.08284	0.9
249.09227	2.3
251.07135	1.2
252.08479	0.6
253.09135	0.8
256.11597	0.6
259.07516	1.2
261.05530	0.8
262.06219	9.1
263.06924	2.8
264.08099	0.8
265.08685	0.8
266.09839	1.2
273.05402	2.6
274.06256	2.0
275.06964	1.0
276.07898	0.8
277.08630	11.5
279.06546	2.0
279.10846	1.2
280.11496	0.7
281.12479	0.5
285.11316	0.6
287.07083	1.4
288.08002	0.6
289.04996	1.0
290.05783	12.8
291.06674	0.6
291.10339	0.7
292.07538	0.6
293.08426	0.6
294.08829	2.4
295.09824	1.9
304.07336	1.3
305.08109	23.7
306.08807	1.1
307.06284	1.1
307.09735	2.7
309.11353	1.9
319.09714	2.5
322.08496	2.9
323.10226	3.0
336.12354	1.1
337.10721	69.4
338.11072	1.4
355.11972	2.4
411.12027	0.6
440.14984	1.2
472.17389	1.6
489.18265	0.6
490.18600	1.7
532.19513	1.3
550.21790	1.9
576.18506	6.4
594.20398	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	593.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01869	4.0
55.05524	15.7
57.03440	2.9
57.07076	9.2
57.87580	1.6
59.04996	3.8
59.96536	1.6
61.02940	2.5
65.03941	2.0
67.05513	27.2
68.68752	1.7
69.03432	13.4
69.07072	51.6
70.06583	2.2
70.81925	2.4
70.82269	4.1
71.04987	6.8
71.08656	2.6
79.05502	16.0
81.03440	12.2
81.07066	100.0
83.04977	2.1
83.08633	21.4
85.02908	19.9
85.06556	12.3
87.00833	10.2
89.03941	2.1
91.05472	9.5
93.07057	32.7
94.06567	2.4
95.04968	4.0
95.08613	78.2
97.02890	10.2
97.06538	7.4
97.10184	9.5
97.21426	1.8
99.04447	5.4
99.08105	7.6
105.01876	6.4
105.07068	9.3
107.08610	32.4
108.08142	2.9
109.02887	8.6
109.06515	2.2
109.10160	42.5
111.08087	13.8
111.11710	12.1
119.08585	6.9
120.08104	6.4
121.08452	2.8
121.10139	16.5
122.85427	1.7
123.08051	2.6
123.11728	39.5
124.12073	2.1
125.09654	3.1
125.13280	5.0
127.03931	18.1
127.11193	7.5
131.08578	3.0
133.10118	5.4
135.11713	14.5
136.07571	4.3
137.05980	2.7
137.07968	2.1
137.13263	32.2
139.11192	4.9
145.04970	4.8
145.10167	2.2
146.10437	2.2
147.04359	2.4
147.11665	5.2
148.07605	13.8
149.07935	5.6
149.13263	31.1
151.14845	3.0
153.12740	19.9
155.14268	10.6
159.02921	2.4
161.13269	4.4
163.03961	8.0
163.14835	12.6
164.04247	1.7
165.16409	2.3
167.14325	9.1
171.13824	4.4
172.03941	2.0
173.15359	3.5
175.14761	1.7
177.05522	2.4
177.16376	3.6
185.15512	2.5
187.06000	1.9
191.17972	2.8
203.18114	2.9
205.19600	3.6
209.19186	2.5
213.03986	3.1
217.19569	3.9
224.09398	2.1
225.10159	2.3
231.04976	3.5
239.19986	2.1
239.23738	3.3
252.08665	2.6
255.11234	2.7
265.09848	3.2
266.10141	2.6
273.25839	8.2
279.26779	12.3
285.07599	7.3
291.26898	23.2
294.09775	3.5
297.27988	9.7
309.27924	36.8
315.29062	3.7
323.10361	7.0
327.28979	11.8
339.88358	2.0
341.11383	2.9
342.11667	3.2
345.24771	2.1
345.29944	6.2
354.11618	1.9
461.19006	2.9
489.18457	7.1
550.21906	3.5
571.12939	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	593.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22343	4.6
55.00303	5.1
55.05520	14.5
57.07074	11.9
67.05507	32.8
69.03407	5.4
69.07079	49.4
69.68871	16.8
69.69283	17.0
70.06628	4.7
71.04981	5.2
79.05480	19.5
81.03408	6.1
81.07064	100.0
83.08609	10.7
85.02904	10.3
85.06543	10.1
91.05503	9.9
93.07052	28.1
95.08602	52.5
97.06564	7.2
103.05502	7.1
105.07040	14.6
107.08600	32.8
108.08127	7.3
109.02865	5.1
109.10160	56.5
111.08104	6.1
111.11727	19.9
114.39548	5.4
119.08647	6.5
120.08115	17.2
121.10152	18.6
122.06055	5.0
123.11720	73.0
131.08527	5.9
133.10194	7.1
133.70572	5.2
135.11690	19.1
136.07538	15.5
137.13254	20.6
147.04398	8.7
147.11678	8.6
148.07547	43.8
149.07996	7.9
149.13257	21.9
151.14816	6.0
153.12817	14.8
155.14301	13.1
161.09618	5.4
161.13269	7.2
163.14871	25.5
166.74265	5.8
172.03995	5.5
177.16328	12.4
189.16489	5.5
237.10138	7.4
238.10733	6.2
250.10698	5.7
252.08548	7.9
255.11328	5.1
266.10205	8.9
273.25754	23.7
279.11142	6.1
280.11514	6.4
291.26935	42.8
294.09406	9.0
309.27853	9.2
341.11185	8.0
342.11450	8.9
374.33524	6.0
454.01599	6.5
461.19183	6.6
489.18372	21.5
593.19049	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	593.2759
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.95318	1.8
79.48526	0.4
80.75858	0.4
84.04005	0.4
95.77399	0.5
97.47165	0.4
103.72655	0.5
153.44197	0.4
193.15501	0.5
225.12427	0.6
256.47427	0.4
388.16965	0.6
389.17685	0.7
402.18146	1.0
403.19238	1.9
404.20129	0.7
405.20627	1.9
415.15253	0.5
416.20676	0.6
417.21423	3.5
418.21658	1.9
419.22467	3.6
420.23227	0.5
430.17880	1.4
431.18320	7.6
432.19556	1.8
433.24295	5.3
434.24634	1.3
445.19894	7.8
446.20819	4.0
447.21689	5.8
459.21603	3.5
460.22562	11.8
461.23257	8.3
462.20383	0.7
473.23413	1.6
474.24420	1.0
476.26038	1.2
477.22833	0.9
487.25217	1.1
489.25891	0.5
491.25031	0.8
492.25461	1.2
505.22028	6.2
515.24701	0.6
519.23889	1.3
533.25531	28.3
534.25824	1.1
561.25476	0.5
564.23724	0.6
565.28442	0.5
579.83386	0.5
593.27625	100.0
594.27936	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	593.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	0.3
69.58714	1.7
81.07018	0.3
83.41464	0.2
95.08543	0.3
98.72746	0.3
103.05534	0.3
103.31298	0.2
130.94055	0.2
138.25354	0.2
208.39674	0.2
209.10854	0.2
387.16162	0.4
388.16711	0.7
389.17725	1.0
390.18750	0.5
391.19330	0.4
401.17795	0.7
402.18558	1.1
403.14545	0.4
403.19260	3.8
404.20071	1.4
405.20926	1.7
406.21329	0.3
415.19702	0.5
416.20102	1.0
417.16544	1.2
417.21442	4.5
418.21817	2.2
419.22403	4.2
420.23148	0.4
421.23868	0.3
429.21341	0.3
430.17236	1.3
431.18155	8.4
432.18576	2.1
433.24161	8.2
434.24866	1.2
444.19022	0.7
445.19958	10.4
446.20700	4.9
447.21732	6.1
448.22513	0.7
449.23492	0.3
458.21350	0.4
459.21509	3.6
460.22574	13.7
461.23257	12.7
462.24265	0.5
463.21313	0.5
473.23651	2.5
474.23972	0.8
476.26370	1.1
477.22995	1.1
487.25085	1.2
488.25751	0.3
489.26300	0.8
491.24197	0.9
492.25458	1.6
505.21814	5.0
515.24664	0.5
518.23120	0.7
519.24121	0.8
533.25488	47.4
534.25934	1.8
547.27100	0.4
561.24860	0.3
564.23645	0.5
565.28058	1.0
575.26654	0.6
593.27582	100.0
594.27832	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	592.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.8
59.17929	3.2
67.05499	17.8
69.07075	13.4
71.59511	3.6
79.05507	16.5
81.07057	32.8
83.08632	10.4
83.92408	3.5
86.09704	4.5
89.08070	3.6
91.05492	15.9
93.07048	35.6
93.45041	4.7
95.04953	3.6
95.08618	46.4
99.56276	3.5
104.10747	4.1
105.07042	33.0
107.08614	57.5
109.06541	8.8
109.10168	30.0
111.08062	4.6
117.07062	5.9
119.08596	52.2
121.10167	28.9
123.11683	7.7
125.09658	17.2
131.08592	19.1
133.10150	28.3
135.11703	13.2
143.08543	5.5
144.09415	3.7
145.10133	40.7
147.11702	13.9
149.13301	10.0
157.10184	10.3
159.11708	37.7
161.13266	19.3
163.14893	11.1
173.13292	24.0
175.14862	14.4
177.16415	13.4
185.13255	4.8
187.14848	50.7
189.16423	32.3
191.17996	7.0
199.14865	15.3
201.16391	43.8
203.18039	12.0
213.16409	19.1
215.17981	27.0
219.17386	8.4
235.16985	8.7
247.17007	8.2
261.18619	7.6
283.24319	4.4
341.24783	4.8
389.31955	15.9
407.33096	37.8
425.34277	6.4
435.32629	33.0
453.33749	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	592.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30933	0.5
53.03952	3.0
55.01874	2.8
55.05498	0.6
57.03429	2.2
58.42284	0.5
60.04524	0.6
61.02930	1.1
63.69689	0.6
68.99813	0.7
69.03438	8.3
71.04985	2.1
71.38065	1.0
73.02910	1.8
75.54462	0.5
79.05508	1.3
80.05028	0.6
81.03425	9.6
81.07078	0.7
83.97582	0.5
85.02424	1.1
85.02917	20.1
87.00835	8.4
90.65199	0.5
97.02905	8.3
99.04464	3.7
99.22430	0.5
103.05473	0.6
105.01882	4.7
105.07007	0.7
105.33863	0.5
108.04497	4.0
109.02881	10.1
109.03580	0.9
117.01891	0.8
120.08144	2.7
122.06059	1.1
126.02001	0.6
126.05517	1.4
127.03925	10.7
129.01842	1.1
134.27791	0.5
136.07574	2.1
144.06610	0.7
145.04974	3.1
147.03040	0.6
148.07565	3.6
155.08591	0.8
159.02910	3.6
163.03903	1.0
165.07008	1.6
181.06569	0.9
182.07233	0.8
183.08087	1.1
192.09254	0.6
193.06532	1.5
194.07423	0.7
195.07970	0.9
196.05183	3.5
197.06010	3.0
207.04456	10.4
207.07913	0.9
208.08777	0.6
210.06837	0.6
211.07530	7.6
213.03944	0.7
220.08839	1.0
221.06007	3.6
223.07610	1.7
224.04810	0.9
225.08955	3.1
226.09972	1.8
230.06409	0.8
231.05022	2.2
235.11108	3.2
237.10191	2.4
239.07063	27.5
240.07742	0.5
242.05714	4.6
243.10153	1.0
248.07869	2.8
249.10324	4.1
250.10954	0.7
251.11061	0.5
253.08594	4.1
254.09357	6.9
255.10803	0.8
257.08115	32.6
261.10287	2.6
262.10889	0.8
263.06967	0.6
263.07516	0.6
263.10645	8.8
265.09665	2.4
267.13834	1.0
271.09671	13.1
276.03058	0.6
277.09686	0.8
277.12656	0.7
278.10574	1.3
279.11374	1.2
280.12143	1.1
281.12891	1.0
283.09653	0.7
285.11288	4.0
286.12030	100.0
287.12296	1.9
291.11319	0.7
293.12906	3.2
295.13312	10.9
303.11099	0.9
305.12756	1.7
308.11548	0.6
309.12234	1.2
310.12106	1.3
313.15436	0.7
319.10266	0.8
319.13660	0.8
321.12228	1.8
327.15955	11.9
331.10971	0.9
336.13583	0.9
337.14175	0.8
351.15973	2.0
353.14825	0.7
376.13281	0.7
389.17584	0.8
417.16898	1.6
435.17920	0.8
440.19598	1.5
484.18817	4.3
516.21448	3.3
548.24078	3.2
560.20294	7.5
592.22632	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	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01873	1.8
55.05515	16.1
57.03441	11.1
57.07079	43.0
65.03949	4.1
67.05508	67.8
69.07076	19.2
71.04986	1.6
71.08633	27.5
79.05494	40.8
81.07060	75.6
83.08620	15.2
85.06535	3.3
85.10181	13.4
89.06017	2.6
91.05481	20.9
93.07052	50.9
95.04993	3.9
95.08612	62.1
97.10180	7.5
98.21632	2.3
99.08076	2.1
99.11795	1.9
102.99126	1.5
105.07032	17.4
107.08595	28.5
109.10164	30.4
117.07010	7.1
119.08579	12.1
121.10149	26.2
123.11710	14.2
131.08577	13.9
133.10168	10.2
135.11687	16.5
137.13278	4.2
141.32352	1.6
145.10123	11.9
147.11691	9.6
149.13281	11.9
151.14821	2.4
159.11711	7.6
161.13252	5.8
163.14835	6.4
173.13239	9.3
175.14886	2.1
187.14853	6.0
201.16368	2.1
233.22702	2.4
239.23782	6.6
243.21117	11.5
257.24634	2.1
261.22156	61.3
279.23212	2.3
291.22974	2.0
313.27374	100.0
317.24783	12.7
335.25793	65.2
335.36508	1.8
560.63837	1.6
573.48792	22.7
591.49725	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	592.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
65.03931	1.7
67.05495	1.4
71.59135	0.5
71.59526	0.4
72.18576	0.4
72.35608	0.4
74.06082	0.9
74.53685	0.3
74.99493	0.4
78.15000	0.4
79.05492	6.3
80.05024	2.0
85.02885	0.6
89.03900	1.1
91.05481	4.7
92.05008	1.3
93.03385	0.4
93.05778	1.2
93.07041	6.5
94.06568	7.0
95.04964	1.9
95.07355	0.7
96.08109	1.5
103.05467	6.6
104.04984	0.6
105.05775	2.2
106.06551	1.1
106.91139	0.3
107.07337	1.0
108.04498	1.2
108.08119	16.6
108.08864	0.8
110.09672	1.6
112.37440	0.4
116.04977	3.6
117.05797	0.8
118.06548	4.1
119.07335	2.1
120.04482	4.9
120.08108	39.0
122.06039	9.2
122.09669	2.7
124.07597	1.8
130.06575	0.5
132.04459	0.4
132.08084	1.2
133.06508	0.6
133.23065	0.4
134.06003	2.5
136.07581	29.6
138.05504	4.6
138.09131	3.2
142.06464	0.4
144.04466	5.6
144.08084	0.6
146.06007	8.1
148.03993	1.9
148.07576	100.0
149.07948	0.9
150.05518	2.4
150.09146	2.9
152.07063	1.6
158.06009	0.5
158.09671	0.6
160.03941	1.0
160.07585	1.0
162.05493	2.8
164.07111	2.1
166.05013	4.4
166.08656	7.5
167.07295	0.7
168.08057	0.8
170.08324	0.5
172.03935	18.8
172.07573	0.5
174.05545	2.5
176.07082	0.6
178.05066	0.6
180.06569	0.7
180.10162	0.4
182.09645	1.2
183.09196	1.2
184.07584	0.6
184.09943	1.5
185.10791	0.7
186.05569	1.0
188.07112	1.9
190.04994	15.2
191.07300	0.4
192.06465	0.7
193.07494	0.4
194.08289	1.5
194.09793	0.8
195.09180	1.2
196.07698	0.5
196.09972	1.7
197.10767	3.1
198.11536	0.8
199.08707	0.9
199.12323	1.2
207.09189	1.2
208.09718	3.5
209.07138	0.4
209.10764	4.6
210.09189	0.8
210.11516	1.0
211.08591	2.2
211.12262	2.1
212.09401	4.6
212.12936	0.4
213.10190	1.4
214.05049	0.6
214.18002	0.4
215.08269	0.4
216.06598	2.9
218.04436	0.6
219.09233	0.7
220.09872	0.5
221.07158	0.4
221.10812	0.9
222.07785	2.7
222.11481	1.0
223.08611	2.9
223.12178	2.0
224.09372	4.6
225.10236	9.2
226.10989	2.4
227.08075	0.5
227.11772	5.1
232.06114	0.6
233.10814	0.5
234.07642	1.3
234.11380	0.4
235.08569	2.7
235.12161	0.8
236.09340	4.3
237.10225	24.6
238.07347	0.4
238.10916	2.7
239.08167	3.5
239.11748	5.4
240.09026	1.6
240.12544	0.5
241.09659	2.7
241.13383	0.8
245.12930	0.6
248.09398	0.5
249.10240	2.7
250.07224	2.0
250.11089	1.9
251.08144	3.2
251.11809	11.1
252.08699	31.2
252.12326	1.9
253.09708	6.8
253.13414	2.3
255.11270	13.1
257.12967	0.4
260.05496	0.4
261.10254	1.1
263.08215	1.5
263.11768	1.8
264.08807	2.2
265.09735	25.6
266.10431	2.8
267.08130	0.6
267.11264	4.9
268.08514	1.1
268.11942	0.8
269.09152	0.6
269.12860	2.1
271.10736	2.3
271.14185	0.4
273.12341	1.1
277.09796	1.3
278.06601	4.9
278.10428	1.1
279.11288	13.2
280.08398	2.2
280.11652	0.8
280.38712	0.4
281.09235	2.7
281.12851	4.7
282.09900	0.9
283.10757	5.5
285.12314	2.1
289.09653	1.0
291.11154	0.7
293.09195	21.0
294.09940	2.0
295.10657	2.7
296.11700	2.1
297.12341	8.0
298.09647	0.5
298.13083	0.4
299.10287	2.3
299.13708	0.8
302.13107	0.5
307.10776	9.7
309.12375	4.2
311.10367	4.0
311.13904	0.4
312.11044	1.5
313.11813	4.5
315.13486	1.5
316.14417	1.6
317.09143	0.6
323.10226	1.6
323.13812	0.5
325.11850	10.3
327.13394	1.7
330.15988	1.2
331.16623	0.5
332.17609	0.4
335.10236	11.1
339.09708	0.6
339.13559	0.7
340.10568	5.7
340.14310	0.8
341.11319	17.2
342.11978	0.7
343.13071	0.5
344.13922	0.9
344.17645	0.7
353.11313	22.3
358.15707	0.7
359.12326	1.2
359.16394	0.6
360.17197	0.6
367.12924	1.4
372.17108	1.3
377.32159	0.4
388.16388	0.5
390.18005	1.5
392.19446	0.5
400.16650	1.2
411.11856	6.9
414.18091	0.5
416.19669	1.0
418.17532	1.6
420.19067	0.4
432.19269	3.3
442.17535	2.8
444.19412	1.8
446.17105	1.1
450.20450	0.5
460.18686	19.4
461.18872	0.9
464.17795	0.5
470.17267	3.5
478.19681	1.2
488.18182	46.3
489.18295	1.1
496.21002	0.5
506.19232	6.6
520.20789	1.8
524.20465	1.2
530.19202	1.9
532.16650	0.5
546.18835	0.7
548.20215	1.3
550.17487	0.9
564.20020	2.4
574.18225	4.5
592.19177	12.4
593.20374	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	591.2603
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
55.05492	1.9
57.79903	1.4
58.03407	1.4
67.05505	3.5
69.07072	2.4
71.30691	2.8
73.90147	1.5
77.64445	1.4
79.05489	1.9
81.07059	2.8
91.05501	2.4
93.07079	3.1
93.13428	1.4
95.08599	3.2
105.07064	1.8
107.08617	2.0
119.08613	1.5
121.10178	1.5
129.07027	2.0
135.74733	1.5
143.70444	1.5
159.11731	2.1
169.10184	2.2
171.11824	1.9
188.97490	1.7
231.31285	1.5
257.19229	1.6
311.58743	1.8
415.19308	4.0
416.20206	2.0
429.20776	6.2
430.21530	3.1
444.23196	5.9
445.24002	6.1
459.21146	3.2
472.22583	3.1
473.23553	5.8
474.25327	1.8
487.24921	25.4
489.22891	3.0
503.24460	2.7
531.24066	15.9
532.24591	4.2
591.26050	100.0
591.44141	6.9
592.26111	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	590.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.9
57.03436	17.7
57.07083	47.2
67.05513	23.0
69.07067	14.7
71.04988	4.3
71.08636	31.3
71.59690	5.9
79.05494	19.6
80.03250	3.9
80.69820	4.1
81.03421	64.9
81.07063	31.2
83.08624	23.8
85.10184	13.6
89.05991	4.2
91.05495	17.8
92.56758	3.6
93.07043	18.3
95.04976	17.7
95.08607	28.6
97.10195	6.8
100.32143	3.8
105.07030	18.5
107.08594	10.8
109.10183	9.9
111.04440	4.3
119.08593	16.1
121.10167	6.0
129.06996	6.6
131.08577	9.0
133.10123	9.5
134.10518	4.5
147.11671	12.0
149.09564	6.2
157.10126	9.0
161.13313	5.9
162.13527	4.5
175.11272	6.8
190.30661	4.3
193.12207	21.6
241.19495	5.4
241.97319	4.5
259.20575	13.8
260.21039	7.2
263.85172	4.6
267.15933	95.3
313.27402	100.0
314.27744	13.1
334.24619	7.1
505.38818	76.0
590.48859	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	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.05513	17.0
57.03443	8.8
57.07080	42.1
59.54432	1.3
65.03934	1.9
66.06186	1.5
67.05177	2.5
67.05509	36.7
69.07068	16.3
71.04993	2.5
71.08632	25.3
71.19648	2.8
71.19997	1.4
72.71686	1.3
79.05499	30.4
81.03413	2.0
81.07059	42.3
83.04980	2.4
83.08620	16.5
85.06557	2.6
85.10185	15.2
91.05485	50.0
93.07049	35.6
95.04965	3.0
95.08613	39.6
97.06511	3.5
97.10160	5.8
99.08076	2.5
105.07036	50.4
107.08600	21.4
109.06496	2.3
109.10147	16.1
116.95151	1.5
117.07035	10.9
119.08583	42.4
121.10152	17.9
123.11687	5.1
128.06250	3.0
129.07004	9.0
130.07809	1.6
131.08569	21.6
133.10133	30.2
135.07991	1.7
135.11703	17.7
137.13232	1.8
143.08553	6.9
145.10133	16.6
147.11699	41.2
149.13255	9.5
151.11205	2.2
154.99280	1.5
157.10121	7.5
159.11691	16.2
161.09669	1.8
161.13274	36.8
163.11154	2.1
163.14827	2.3
171.11700	10.7
173.13231	8.1
175.14857	14.3
185.13284	11.8
187.14761	2.8
199.14821	4.9
213.16406	1.9
215.17964	2.2
217.19543	2.0
231.21059	8.9
239.23758	3.0
241.19516	34.7
257.24686	2.1
259.20581	93.2
275.20132	1.9
277.21817	2.1
313.27380	100.0
315.23254	6.9
333.24231	41.6
485.23935	1.5
505.38638	1.6
571.47449	10.8
589.48438	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	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76000	3.5
53.03932	4.9
55.01868	5.1
55.05518	23.5
57.03428	14.7
57.07077	50.9
65.03906	4.2
67.05174	4.7
67.05505	62.4
69.07073	28.8
70.98215	7.8
71.08625	30.5
76.04394	3.2
79.05493	46.1
81.06652	5.0
81.07061	70.8
83.08636	18.2
85.10171	14.7
91.05479	49.3
93.07047	49.9
95.08611	62.1
95.97869	3.7
97.06548	5.6
97.10137	10.2
105.07031	66.8
107.08592	31.5
109.10157	31.4
114.60100	3.5
117.07008	16.5
119.08588	59.1
121.10134	27.6
123.11714	12.3
129.06990	11.1
131.08588	23.1
132.60480	3.9
133.10120	47.8
135.11710	22.4
137.13234	5.7
143.08568	10.2
145.10139	26.2
147.11696	57.6
149.09663	4.8
149.13235	13.0
157.10168	10.3
159.11659	17.6
161.13280	38.8
163.11247	4.2
171.11650	12.5
173.13252	13.1
175.14798	13.2
176.77426	3.7
185.13242	11.6
187.14958	4.5
199.14760	6.0
213.16354	5.3
231.21097	7.8
241.19501	39.7
259.20581	100.0
311.25616	7.1
313.27322	97.4
313.30707	7.6
315.23083	8.0
333.24271	55.5
335.25507	4.2
430.52213	4.8
537.76385	4.0
571.46857	15.5
589.48450	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	589.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.9
54.07486	2.5
54.61808	2.7
55.01881	2.9
55.05516	14.4
57.07069	5.8
58.95520	2.8
64.59753	2.7
67.05510	20.0
69.03426	7.5
69.07086	16.9
69.57526	19.5
77.03931	2.9
79.05487	29.1
81.03401	6.6
81.07066	38.2
83.04996	5.0
83.08619	9.1
85.02907	5.0
86.09702	3.3
87.00819	4.2
89.03931	6.4
91.05479	43.8
93.07054	44.9
95.04990	9.2
95.08617	53.4
97.02896	4.1
97.06536	9.7
97.10134	3.7
103.05495	5.2
105.06375	5.4
105.07042	72.8
107.08601	83.8
108.08133	2.7
109.02918	4.1
109.06499	4.5
109.10172	29.8
115.05430	3.2
115.07620	3.4
117.03407	5.8
117.07017	13.3
119.04956	4.2
119.08591	100.0
121.06559	6.1
121.10155	54.6
123.04433	30.7
123.08078	10.5
123.10889	2.8
123.11716	15.6
125.09621	4.1
128.06250	4.6
129.07030	8.2
131.08572	39.5
133.08603	3.3
133.10139	83.2
135.04439	19.1
135.08044	10.3
135.11696	32.4
136.07561	3.3
137.02315	4.4
137.06023	3.4
139.11206	4.3
141.06955	5.7
142.07809	7.0
143.08568	23.4
144.09328	4.5
145.02866	5.1
145.10143	60.2
147.04405	8.1
147.08107	3.3
147.11691	45.0
149.05997	6.9
149.09636	9.2
149.13261	15.3
151.07550	10.8
151.11217	3.8
153.09149	8.2
155.08580	10.7
156.09348	8.2
157.10135	43.7
158.10860	5.3
159.08067	5.5
159.11708	55.0
161.05943	3.0
161.09692	4.1
161.13268	23.5
163.03929	39.7
163.07654	5.4
163.11182	17.8
163.14862	5.9
165.07071	3.2
167.08669	6.0
169.10164	17.1
170.10913	8.8
171.11705	33.1
172.12561	3.0
173.09616	3.9
173.13275	40.1
175.11348	4.0
175.14839	23.6
177.09155	6.7
177.12779	15.8
177.16382	14.1
179.10681	9.7
180.09413	3.2
181.10101	4.1
182.10936	8.4
183.11682	31.8
185.09705	5.8
185.13272	34.8
187.07341	3.3
187.11209	5.2
187.14836	30.1
189.09059	3.7
189.12735	7.8
189.16385	17.5
191.03381	4.7
191.14302	6.3
191.18027	4.1
194.10982	2.9
195.11775	10.4
195.13689	6.7
197.06165	3.1
197.13271	39.6
199.14859	34.1
201.12756	13.7
201.16394	11.9
203.14397	7.1
205.15919	41.1
207.17528	5.0
209.13280	15.9
211.07565	5.3
211.14879	14.7
213.16449	12.3
215.07132	3.1
215.14400	17.8
215.18013	9.0
217.15872	4.9
219.13823	8.2
219.17337	3.3
221.13284	6.6
223.14838	11.7
225.16354	15.3
227.17943	13.4
229.15889	5.3
231.13861	3.7
231.17545	3.9
236.15526	3.1
237.16408	5.4
239.17992	10.8
241.15901	4.1
241.19608	4.8
243.06654	4.1
243.17511	4.7
243.20879	2.9
245.19070	5.9
249.16429	3.8
251.17960	17.8
253.19502	15.9
255.21187	3.8
257.08304	3.5
259.09683	16.7
265.19565	10.0
269.19128	5.5
277.09680	3.6
279.18066	3.0
279.21118	7.0
281.22729	6.8
283.20566	62.1
285.07480	4.1
295.06079	7.7
297.18579	10.4
297.21872	5.0
299.20270	3.8
299.23721	9.9
301.21884	4.8
303.20920	3.5
309.22284	3.7
313.07050	8.2
317.24860	6.7
330.54230	3.1
339.14569	3.8
381.13278	13.0
385.28851	11.4
403.29965	31.4
409.12506	4.1
421.31110	22.2
427.14056	3.2
431.29553	27.2
439.32156	6.3
449.30615	39.3
467.31686	36.1
471.17377	4.2
507.31195	4.2
525.31763	7.5
535.30231	7.4
543.32483	4.0
545.17535	8.1
553.31604	8.8
571.32690	6.2
587.46149	3.5
589.16724	20.5
590.17371	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	589.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.05514	11.0
57.07065	5.0
59.04993	1.6
67.05499	11.1
69.03419	2.3
69.07072	18.0
69.29348	15.1
71.04980	1.8
79.05498	15.0
81.07069	24.5
83.04971	4.8
83.08628	9.7
85.10201	1.8
86.80614	1.6
87.00819	7.6
87.94331	1.9
91.05486	20.5
92.02511	1.7
93.07056	30.0
95.04939	4.2
95.08056	2.3
95.08620	33.3
97.06526	7.7
100.98792	1.8
105.07040	47.2
107.08602	56.7
109.06520	7.7
109.10159	24.9
111.08079	3.8
115.07578	10.6
117.07043	11.9
118.01546	1.6
119.08587	68.1
119.41977	1.6
121.06514	5.7
121.09307	3.6
121.10152	49.8
123.08066	5.9
123.11709	11.6
128.06221	4.4
129.07019	9.7
130.07803	3.7
131.08591	32.4
133.06511	3.5
133.10143	47.9
135.04427	1.9
135.08066	5.1
135.11716	22.4
137.09627	3.5
141.07014	6.9
142.07797	12.0
143.08588	25.7
144.09343	3.7
145.10135	61.8
147.07999	3.8
147.11688	30.8
149.09653	4.4
149.13229	10.4
151.07568	1.8
151.11163	3.3
153.09177	1.9
154.07780	2.8
155.08572	19.8
156.09317	10.0
157.10147	42.9
158.10922	6.3
159.08049	3.9
159.10429	3.6
159.11702	56.6
161.09628	4.2
161.13264	24.8
163.03896	2.8
163.07509	3.2
163.11189	31.5
163.14803	9.1
167.08553	4.4
168.09352	3.6
169.10141	15.9
170.10915	6.9
171.11703	28.4
172.12480	2.4
173.09665	5.0
173.13272	37.8
175.11195	5.2
175.14847	27.1
177.12787	4.1
177.16393	33.5
179.10664	3.5
181.10149	2.7
182.10904	9.8
183.11736	23.7
185.11787	3.5
185.13281	27.7
187.11214	5.2
187.14828	42.0
189.12737	7.7
189.16389	40.8
191.14259	4.2
191.17909	5.7
195.11697	5.4
197.13284	57.8
199.11079	2.0
199.14830	33.0
201.07553	4.0
201.12753	12.9
201.16412	18.4
203.14417	9.2
203.18004	2.5
205.15892	100.0
207.11525	1.9
207.17508	12.4
209.13254	5.2
211.11095	3.7
211.14813	4.2
213.16490	9.0
215.14378	30.6
215.17818	9.2
217.12392	2.1
217.15857	6.1
219.13760	3.0
219.17427	6.6
221.13257	2.7
223.14868	2.9
223.16969	5.1
225.12683	2.4
225.16417	3.0
227.14247	2.3
227.17842	2.5
229.15904	2.7
231.13858	4.2
231.17435	3.5
233.15459	3.7
237.16383	2.4
243.13843	9.6
243.17686	2.0
247.13219	2.1
251.17955	3.2
253.19571	3.4
261.14886	6.9
265.19708	2.1
283.20572	8.4
295.06183	2.4
297.18344	1.8
307.15128	2.1
319.15387	12.3
339.14487	8.7
347.15170	2.5
365.16190	4.1
385.28687	2.8
403.30197	18.6
405.31631	4.2
421.31061	29.0
423.32458	2.9
431.29495	9.7
435.93570	1.9
437.30130	3.3
439.32068	8.0
449.30609	22.2
467.31546	13.6
485.32648	6.6
495.30585	2.5
507.31085	5.8
525.32141	12.3
535.30286	4.9
553.31580	11.2
571.32391	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	589.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05513	13.9
57.07064	3.4
65.03932	3.2
67.05502	9.5
69.07067	14.3
79.05489	10.4
81.07051	23.5
83.04970	2.2
83.08616	8.9
84.78294	2.1
87.00835	6.1
91.05473	16.9
93.07042	27.6
95.04947	3.3
95.08621	32.5
97.06530	6.9
98.20763	7.7
105.07025	45.8
107.08597	47.2
109.06524	3.5
109.10156	19.2
115.07569	9.8
117.07030	9.9
119.08591	56.2
121.06513	5.2
121.10145	46.9
123.11696	7.8
128.06261	3.1
129.07031	3.6
130.07776	2.4
131.08543	29.9
133.10139	43.6
135.08069	6.8
135.11685	21.3
137.09663	2.7
141.06989	4.0
142.07785	8.1
143.08553	21.1
144.09366	5.6
145.10127	55.7
145.11273	3.1
147.08022	3.4
147.11696	33.3
149.06079	2.6
149.09621	5.2
149.13289	10.1
150.71431	2.2
151.11208	5.6
155.08540	13.2
156.09334	8.5
157.10141	37.9
158.10913	4.9
158.16101	2.5
159.08130	2.5
159.11705	48.3
161.09622	5.0
161.13310	23.6
163.11176	30.4
163.14861	6.7
167.08496	3.3
168.09406	6.7
169.10091	13.5
170.10954	5.6
171.11693	25.3
173.13271	27.3
174.13939	2.9
175.11223	3.5
175.14847	21.2
177.12738	8.3
177.16394	30.4
179.10728	4.4
179.14394	3.1
181.10214	2.3
182.10938	6.9
183.11734	22.1
184.12477	4.3
185.13278	26.7
187.11307	4.9
187.14828	40.4
189.12747	9.1
189.16388	33.8
191.17923	3.2
195.11723	4.9
197.13266	52.9
198.04614	2.6
199.14822	32.8
201.07625	4.2
201.12802	12.0
201.16393	12.3
203.14308	8.0
203.17920	3.2
205.15877	100.0
205.17821	5.1
207.17459	11.2
209.13271	4.9
211.11270	2.4
211.14903	3.2
213.12758	3.0
213.16400	5.1
215.14351	25.1
215.17996	8.5
217.12212	2.5
217.15883	5.3
219.13765	3.5
219.17371	3.9
223.14841	3.8
223.16980	4.5
225.12886	3.5
225.16354	4.2
231.13786	3.1
243.13794	9.8
245.15419	4.5
261.14938	11.2
283.20499	4.5
319.15433	9.2
339.14377	5.5
365.16165	2.7
385.28912	5.1
391.30219	3.0
403.29990	21.1
421.30988	31.3
431.29391	7.2
439.32214	5.8
449.30469	17.0
467.31522	14.0
485.32446	5.0
507.30716	3.5
525.32025	8.4
535.30347	3.2
553.31458	11.0
571.33295	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	587.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81192	2.6
53.03934	4.1
55.01872	3.0
55.05514	20.1
57.03433	4.9
57.07070	10.5
62.43934	3.2
67.05511	55.9
69.07071	28.3
70.41428	7.5
70.41817	4.9
70.50750	3.6
71.08631	8.5
79.05495	32.6
81.07064	57.7
83.04990	3.6
83.08616	16.8
91.05492	21.8
93.07044	40.7
95.05000	3.6
95.08621	46.3
97.06551	5.2
97.10187	8.5
99.08134	4.1
105.07043	22.4
107.08610	22.2
109.10166	21.1
109.10810	2.9
110.59646	2.5
117.07069	6.3
119.08616	27.7
121.10167	15.8
123.11726	10.1
129.07028	4.5
131.08594	11.1
133.10123	18.7
135.11710	17.5
137.13254	5.1
143.08612	5.2
145.10164	18.2
147.11725	12.6
149.13283	10.9
157.10161	4.1
159.11726	9.0
161.13287	13.5
163.14828	4.1
171.11702	4.4
173.13223	6.0
175.14865	3.3
185.13239	4.3
187.14876	4.7
215.18039	5.9
217.19695	4.2
229.19604	3.2
233.19011	3.3
237.22157	3.6
257.18994	4.1
259.20538	7.5
261.22281	10.6
275.20184	2.9
309.24414	6.4
335.25821	6.3
417.29559	3.3
461.54999	3.0
495.42291	6.7
513.42615	4.3
569.45630	10.2
587.46783	100.0
587.56287	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	587.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01877	2.5
55.05267	1.5
55.05517	20.0
57.03434	5.5
57.07077	9.6
65.03938	2.2
67.05509	52.5
69.06720	2.1
69.07072	25.5
71.04991	3.2
71.08632	4.2
71.58451	1.3
74.64139	1.2
75.66111	1.1
79.05500	31.6
81.06573	2.8
81.07060	55.4
83.04963	2.0
83.08617	11.5
85.06556	2.4
91.05484	25.6
93.07043	35.9
93.07626	2.2
95.04983	5.2
95.08611	45.2
97.06546	2.9
97.10195	6.1
99.08100	2.7
100.45978	1.3
105.07030	24.8
107.08601	20.2
109.06542	2.2
109.10154	18.6
111.08072	1.8
117.07031	9.4
119.08586	22.9
121.10152	18.4
123.08089	2.4
123.11749	7.9
125.09637	1.7
129.07011	4.9
131.08591	16.2
133.10144	20.0
135.08127	1.4
135.11694	12.2
136.52284	1.4
137.09641	2.0
137.13293	3.2
139.11185	2.2
143.08588	5.1
145.10139	18.1
147.11710	13.1
149.13257	11.2
151.11241	2.2
151.14790	1.7
155.08588	1.8
157.10178	3.6
159.11694	11.6
161.13255	9.8
163.14845	3.5
165.12750	1.4
169.10130	2.7
171.11719	5.0
173.13310	7.2
175.14883	4.7
177.16412	1.9
179.14470	1.7
183.11736	1.9
185.13301	5.0
187.14848	4.9
189.16368	2.6
191.18065	1.9
197.13339	2.7
199.14865	3.6
201.16470	3.7
205.19482	1.6
213.16559	2.8
215.18030	5.0
217.19618	2.7
219.17416	1.5
219.21254	1.8
225.16557	1.5
229.19511	1.8
233.19202	3.3
233.22667	2.0
241.19598	2.4
243.21034	2.9
247.20750	1.6
257.19052	2.3
259.20630	5.2
261.22156	8.3
267.38614	1.4
271.98996	1.3
275.20071	3.5
287.23630	2.3
289.25208	1.6
307.22546	1.5
309.24289	8.6
309.73053	1.3
311.25964	4.0
317.24637	2.0
333.24603	2.7
335.25833	7.4
337.27475	2.6
401.81400	1.3
477.41425	2.4
495.42105	8.0
513.43280	2.2
517.39185	1.6
569.45642	12.3
587.46741	100.0
588.47064	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	587.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.6
57.07076	5.6
63.21546	3.0
64.35737	3.1
65.26330	3.3
67.05508	12.8
69.03438	6.8
69.07081	10.5
69.93633	10.0
79.05508	17.0
81.03413	6.8
81.07071	36.3
83.08646	5.5
85.02901	5.8
87.00853	10.6
91.05490	27.1
92.28642	3.4
93.07056	37.3
95.04968	9.5
95.08624	29.2
97.02891	4.7
97.06554	18.2
103.05471	3.7
105.07038	75.6
107.08600	41.7
109.06543	6.1
109.10175	14.5
115.07593	12.3
117.07024	13.7
119.04980	10.2
119.08585	75.2
121.06503	13.0
121.10147	28.4
123.08104	10.0
127.03963	5.5
128.06186	4.4
129.07040	11.3
130.07755	4.1
131.05011	4.9
131.08575	76.2
133.06488	6.2
133.10147	43.7
135.08089	12.2
135.11705	11.1
137.09593	5.3
141.07004	5.8
142.07755	13.5
143.08548	34.8
144.09311	7.2
145.06494	4.3
145.10135	63.0
147.04425	24.9
147.08101	6.3
147.11685	22.8
148.04787	7.0
149.09624	12.4
149.13257	7.4
155.08534	18.5
156.09387	9.5
157.10161	42.5
158.10910	6.0
159.08081	6.4
159.11702	51.8
161.09650	11.8
161.13286	33.2
163.11237	9.1
163.14813	16.4
167.08630	4.5
168.09448	8.3
169.10139	23.1
169.66557	3.4
170.10898	10.4
171.11684	45.0
173.09731	6.4
173.13269	100.0
173.14668	6.5
175.11270	11.4
175.14818	37.5
177.05495	5.0
177.12808	7.9
177.16495	6.1
182.10947	9.8
183.11739	27.2
184.12439	5.0
185.09570	6.0
185.13274	38.2
187.11165	3.9
187.14821	34.9
189.12766	12.6
191.14328	58.2
193.12378	7.5
195.11766	5.9
197.13255	61.9
199.11183	7.0
199.14815	45.5
201.07632	6.3
201.12759	14.7
201.16455	12.8
203.14317	36.8
205.15891	11.9
209.13350	6.9
211.14825	7.6
213.16454	9.7
215.14308	26.0
215.18069	6.0
217.12251	6.1
217.15901	13.0
219.13826	4.7
221.13345	7.5
221.15388	79.0
225.16475	6.6
233.15361	4.8
235.13301	5.6
243.13878	17.5
243.17216	5.3
261.14865	15.4
297.18420	4.0
301.14172	4.1
319.15686	8.6
339.14557	8.4
347.14798	5.7
365.15894	7.0
389.28271	9.6
395.29514	3.7
401.28375	11.6
417.27777	4.4
419.29337	19.3
424.10251	3.8
435.28940	5.9
437.30234	7.1
465.30066	9.1
469.88321	4.4
472.89880	3.9
481.10825	3.5
505.29315	4.5
523.30933	10.9
539.30121	9.1
541.31671	10.8
551.30206	8.5
569.31104	8.0
587.32104	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	587.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10439	1.9
53.03936	3.9
55.05508	9.7
55.39055	2.2
57.07087	4.6
67.05508	12.7
69.07065	11.5
79.05495	18.1
81.07060	41.4
83.04996	3.6
83.08631	6.2
87.00854	13.1
91.05480	38.4
93.07051	36.5
95.04982	7.2
95.08611	47.8
97.06526	11.2
103.05489	3.0
105.01893	2.2
105.07040	81.7
107.08608	41.6
109.06544	3.2
109.10184	17.0
111.08097	3.7
113.09635	2.5
115.05447	3.7
115.07587	16.6
117.07021	45.9
117.34988	2.2
119.08587	72.5
121.06512	6.0
121.10148	42.0
123.11715	7.9
128.06215	6.7
129.07022	10.5
130.07767	2.5
131.08583	56.1
131.09526	4.4
133.10139	50.1
133.10953	1.8
135.08093	7.0
135.11678	12.9
141.06972	3.4
142.07793	11.6
143.08582	37.4
144.09431	5.6
145.10126	67.8
147.08101	5.2
147.11696	40.5
149.09650	6.6
149.13272	8.8
155.08507	12.7
156.09378	11.5
157.10133	41.5
158.10928	6.8
159.08051	3.1
159.11713	67.7
161.09636	7.7
161.13275	28.9
163.11278	3.1
163.14796	6.7
167.08606	2.7
168.09357	5.7
169.10123	17.7
170.10919	7.1
171.11713	28.8
173.13278	58.6
175.11230	6.9
175.14844	41.0
177.05519	2.1
177.12813	6.2
177.16402	100.0
179.10649	2.3
181.10098	4.2
182.10878	6.0
183.11717	19.7
185.13286	36.8
187.11209	4.6
187.14844	46.1
189.12781	14.3
189.16368	7.5
191.14317	7.0
193.15863	4.9
195.11726	5.8
197.13266	34.6
198.61281	2.3
199.11206	5.2
199.14819	36.2
201.07605	7.8
201.12769	14.5
201.16409	12.4
202.36281	2.3
203.14336	99.4
203.17969	6.3
205.15895	71.3
205.17838	4.3
209.13290	5.8
211.11279	3.9
211.14787	6.0
213.12831	3.0
213.16388	11.0
215.14334	18.5
215.17876	3.3
217.15855	7.8
217.94843	3.1
219.13875	2.5
221.15355	28.1
223.14714	2.8
225.16399	2.5
227.17854	2.1
229.15956	6.5
231.13899	2.4
231.17453	4.9
233.15387	4.0
235.13194	2.9
237.16229	2.8
239.17862	5.2
243.01537	2.2
243.13797	8.8
243.17406	2.6
245.15436	3.2
261.14832	6.7
301.14172	2.7
319.15161	5.9
339.14514	10.8
347.14835	3.9
365.15854	5.2
373.28879	4.3
383.27045	4.5
389.28513	3.1
391.29782	3.6
401.28348	12.1
419.29370	15.4
429.27863	6.2
437.30560	6.0
447.29150	12.0
465.29956	4.8
483.30981	3.0
505.29205	2.9
523.30457	8.5
541.31671	3.2
551.30011	7.2
569.30774	6.8
587.32178	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	587.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.5
57.07076	10.8
57.19673	4.9
63.59222	4.4
64.52171	4.3
66.32654	4.5
67.05504	22.5
69.03426	7.5
69.07062	15.3
71.59271	5.2
71.59663	5.8
79.05494	25.7
81.03458	7.0
81.07061	47.9
83.04998	8.4
85.02910	6.3
87.00832	16.0
91.05496	40.6
93.07063	51.0
93.64258	5.0
95.04993	15.3
95.08622	51.6
97.02895	10.5
97.06564	25.9
102.56709	4.9
103.05438	7.9
105.07043	86.7
105.07691	9.8
106.38933	4.7
106.39727	6.0
107.08601	63.6
109.02860	11.6
109.06521	13.7
109.10185	28.0
111.05199	6.0
115.07577	27.0
117.07048	25.4
119.07806	6.2
119.08605	100.0
121.10162	34.8
123.08081	14.9
123.11713	9.5
125.09621	5.5
128.06204	6.2
129.06972	17.5
130.07784	6.6
131.08600	64.8
133.10150	59.3
135.08118	11.9
135.11711	16.7
137.09639	9.7
141.07053	8.1
142.07825	18.4
143.08583	40.5
144.09355	8.2
145.10141	72.4
147.08092	8.8
147.11690	60.1
149.09637	13.0
149.13275	20.4
155.08551	22.4
156.09360	15.3
157.10124	44.8
158.10886	7.4
159.08043	6.9
159.11723	59.7
161.09703	10.9
161.13303	30.3
163.03889	12.1
163.11191	5.9
163.14819	8.0
165.09079	5.8
168.09427	7.7
169.10126	21.1
170.10864	9.5
171.11734	36.0
173.09821	7.4
173.13326	65.1
175.11220	8.7
175.14931	29.4
177.05432	7.6
177.12766	7.4
177.16386	18.9
181.10078	7.6
182.10928	10.1
183.11684	34.0
185.13307	37.1
187.11261	8.1
187.14870	47.3
189.12737	18.5
189.16425	9.5
191.14340	28.6
195.11873	5.9
197.13297	63.9
199.11111	6.3
199.14833	39.1
201.07623	14.4
201.12746	21.1
201.16423	15.5
203.14369	35.2
205.15932	38.9
211.14796	9.1
213.12801	6.2
213.16362	11.3
215.14330	32.2
217.15910	14.9
219.13751	8.0
221.15350	38.1
225.16449	9.1
243.13829	26.1
261.14862	10.3
315.53506	6.1
319.15439	7.2
339.14316	16.0
365.15958	7.0
389.28305	8.2
391.30377	6.6
419.29480	21.8
429.28207	5.7
437.30618	13.8
447.29156	11.0
465.29916	6.1
482.64203	6.5
483.31033	9.4
523.30811	9.7
541.31677	10.1
551.30084	10.6
569.30829	17.9
587.31976	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	586.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16175	0.9
55.05526	3.2
57.07077	34.3
67.05499	2.7
69.07069	2.7
69.75135	0.9
70.65797	3.1
71.08633	26.1
73.06555	7.7
81.07066	1.5
83.08635	2.3
85.09708	2.0
85.10191	20.9
87.04484	7.2
89.06036	100.0
91.05483	1.4
93.07025	1.0
95.08648	1.4
97.10164	3.7
99.11732	4.1
105.07029	2.7
107.07089	3.0
107.08599	1.4
113.13288	1.3
117.07046	1.3
117.09122	6.1
119.08567	2.2
121.10131	1.3
130.08624	2.1
131.07076	2.3
131.08505	1.1
133.08609	47.1
135.10107	1.3
135.11794	1.1
145.10077	1.5
151.14828	1.0
155.17955	2.4
157.10106	1.2
169.92821	1.0
175.09671	1.1
177.11229	17.8
177.61134	1.0
192.06850	1.0
195.12154	1.1
199.20602	3.3
221.13824	4.6
239.14926	2.0
243.23189	9.3
283.17667	2.3
287.25720	5.5
327.20273	1.8
371.22815	1.9
381.56979	1.0
415.25449	4.6
569.42719	6.8
586.44934	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	586.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	12.5
55.01891	12.3
55.05516	14.1
57.03436	6.1
57.07064	7.8
61.02922	3.6
61.21209	2.1
62.06091	4.1
63.27218	2.2
63.85567	2.3
67.05510	28.0
68.99776	3.4
69.03437	28.9
69.07076	29.1
70.93607	4.6
71.04991	4.6
71.08632	2.7
73.02924	5.7
74.07037	2.0
79.05502	32.9
81.03430	33.6
81.07070	63.3
83.08621	9.1
85.02916	74.4
87.00835	30.2
91.05491	52.6
93.07054	44.8
95.04978	9.2
95.08044	3.7
95.08616	51.5
97.02908	26.4
97.06568	2.9
97.10180	5.9
99.04468	12.7
101.55946	2.5
103.05468	6.2
105.01880	18.1
105.07040	83.5
107.04963	6.0
107.08610	42.6
109.02887	28.4
109.06528	9.4
109.10168	40.2
111.11732	4.9
111.84618	2.3
115.05457	4.8
115.16956	2.0
117.01787	2.5
117.07041	30.6
119.08594	51.8
121.06547	3.9
121.10172	21.9
123.04492	3.4
123.08092	4.4
123.11723	25.0
125.13297	3.5
127.03930	38.3
128.06229	9.4
129.01857	4.8
129.07025	14.4
131.08585	33.6
133.10144	63.2
135.08066	6.8
135.11717	16.6
137.09615	5.4
137.13280	10.9
141.06964	4.8
142.07816	7.1
143.08604	21.8
145.04973	18.0
145.10153	38.7
147.08058	8.8
147.11707	22.9
149.09656	5.1
149.13313	11.9
151.11171	7.5
154.07785	2.8
155.08536	18.9
156.09357	4.5
157.10144	16.3
159.02914	18.0
159.11720	30.4
161.09612	15.7
161.13278	16.8
163.14841	10.6
165.12738	3.7
169.10121	15.2
171.11751	19.5
173.13298	19.8
175.11238	2.6
175.14832	14.5
177.16414	6.2
183.11717	17.1
185.13252	12.9
187.14806	19.7
189.12723	11.4
189.16414	7.7
191.14310	3.7
196.12556	3.0
197.13251	15.7
199.14928	5.6
201.12825	6.0
201.16412	9.5
203.14334	6.1
203.18057	2.6
205.15974	4.6
209.13252	3.3
211.14880	17.8
213.03763	2.7
213.16393	7.6
215.14671	3.0
215.17984	75.6
217.15945	8.1
225.16397	8.3
227.18059	5.1
229.15924	10.2
231.04955	5.6
233.19073	5.0
235.07729	2.6
241.19518	7.1
255.21245	3.2
257.22632	24.8
267.21136	52.4
285.22174	100.0
286.22388	3.5
287.23813	3.7
303.23163	16.1
501.77692	3.2
533.27252	3.7
557.00720	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	586.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	1.4
59.05010	1.5
67.05502	1.6
69.07066	3.4
69.37051	4.9
69.37456	2.1
70.02955	1.0
72.04520	4.8
73.02898	1.2
79.12341	1.0
85.02887	1.3
85.06551	3.5
90.05561	38.8
95.04964	2.1
96.08154	0.8
98.02426	5.3
98.20761	1.5
103.07590	2.7
103.31721	0.8
116.03457	5.7
118.06540	3.9
124.07594	6.6
132.08133	1.2
136.50275	0.9
142.08673	2.7
143.07269	1.0
144.08119	2.5
146.06010	11.2
166.08614	1.0
174.11348	1.0
184.09688	9.1
188.07076	13.0
189.07520	1.1
190.81857	0.9
202.10722	14.1
205.09818	4.3
206.10190	0.9
220.11812	100.0
382.16989	1.1
523.72559	1.0
611.75836	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	585.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	5.0
55.01864	4.1
55.05517	31.6
57.03448	7.3
57.07081	9.3
60.06877	2.1
67.05511	74.0
69.07073	34.4
71.05005	4.6
71.08657	5.4
79.05503	50.1
80.11111	2.5
81.07066	80.0
83.04996	3.2
83.08630	17.2
85.06554	5.6
86.80371	2.5
89.06067	4.1
91.05488	49.5
91.06001	3.7
93.07053	49.8
93.07610	2.9
95.04999	8.1
95.08620	51.4
97.06525	5.8
97.10194	5.9
98.21417	2.5
99.08134	5.5
105.07042	55.8
105.07764	2.9
106.07386	6.0
107.08607	37.9
109.06560	5.8
109.10167	23.6
111.08108	3.4
117.07040	19.6
119.08590	61.5
121.10154	25.3
123.08145	4.2
123.11748	9.8
125.09677	3.0
128.06285	3.7
129.07007	12.3
130.07825	2.3
131.08588	33.8
133.08640	3.6
133.10149	37.8
133.11066	3.2
135.08116	4.1
135.11703	23.7
137.09644	5.9
139.11221	2.8
141.07030	2.9
142.07776	3.7
143.08614	16.7
145.10141	30.6
147.11708	30.1
149.09557	2.6
149.13310	9.8
151.11299	2.1
155.08627	6.2
157.10149	15.1
158.10516	3.0
159.11710	23.8
161.13283	21.3
163.11179	3.0
163.14861	6.2
165.09187	3.1
169.10204	6.2
171.11723	15.7
173.13280	17.0
173.57610	2.5
175.11256	4.5
175.14876	12.2
181.10156	2.7
183.11742	4.1
185.13271	11.6
187.14912	6.4
189.16403	4.4
195.11694	4.8
197.13370	4.6
199.13268	2.9
199.14909	6.7
201.16417	4.7
205.19569	2.5
209.13255	3.2
211.14864	5.4
213.16412	6.2
215.18047	9.0
217.19490	3.5
221.15442	6.0
223.15045	3.4
225.16559	2.9
229.19556	2.9
231.17525	3.8
231.21101	3.0
233.19090	3.3
235.20702	2.4
239.17915	3.0
241.19550	15.2
243.21223	3.9
257.19113	5.2
259.20563	24.0
271.20480	2.7
275.20197	3.9
285.22504	2.9
309.24274	34.0
311.29422	3.5
327.26770	2.3
333.24289	19.8
335.26163	3.6
353.24414	4.6
493.40573	9.5
504.36273	3.3
505.36572	10.0
567.44458	10.6
585.45331	100.0
585.56177	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	585.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
52.83544	0.9
53.03952	3.6
55.01871	2.1
55.05518	19.6
57.03444	5.5
57.07075	4.4
61.50698	0.8
67.05508	48.3
69.07074	19.2
71.05026	2.4
71.08643	1.7
71.33898	1.3
79.05500	32.7
81.07063	55.7
83.04974	2.2
83.08638	10.5
85.06563	2.4
85.31868	1.0
89.06017	1.0
90.20230	1.0
91.05488	27.5
93.07051	38.8
95.04993	5.1
95.08614	41.1
97.06547	3.4
97.10181	4.4
99.08096	1.8
105.04525	0.9
105.07034	31.1
107.08597	25.4
107.09289	1.7
109.06493	1.1
109.10162	21.6
111.08114	2.5
113.09620	0.9
117.07021	11.7
119.08595	26.5
119.09457	1.5
121.10165	20.9
123.08078	2.5
123.11715	9.4
125.09628	1.3
128.06213	1.1
129.07027	5.0
130.07791	1.4
131.08589	19.7
131.09520	1.7
133.08661	1.2
133.10144	23.0
135.08076	1.4
135.11710	17.0
137.09656	2.3
137.13278	3.1
139.11206	1.3
141.07057	2.2
142.07799	1.2
143.08580	9.5
145.10130	21.6
147.11700	18.4
149.09592	2.0
149.13295	6.9
151.11182	1.8
155.08627	2.6
156.09340	1.3
157.10158	9.7
159.11708	17.9
161.13312	9.5
163.11249	1.9
163.14856	3.7
169.10196	3.9
171.11710	8.6
173.13284	12.5
175.11057	1.2
175.14853	6.7
177.11118	1.2
177.12746	1.7
177.16388	1.6
179.14368	3.4
180.62039	0.8
181.10107	2.0
183.11758	3.7
185.13249	7.5
187.14799	7.9
189.12813	1.8
189.16434	3.6
191.18123	1.2
195.11702	2.0
197.13306	3.4
199.14819	5.7
201.16447	3.5
203.14294	1.1
203.18011	2.8
205.19513	1.7
209.13406	1.0
211.14882	2.1
213.16490	6.2
215.17950	7.2
217.19527	2.2
217.39525	1.1
223.14868	1.4
225.16515	2.3
227.16286	1.2
229.19374	1.8
231.17563	6.0
231.21069	1.4
233.19008	4.0
237.16479	1.2
239.18111	1.0
241.19698	1.2
243.17618	1.0
243.21133	1.0
245.19122	1.1
247.20732	1.1
249.18710	1.1
251.18028	1.3
253.19743	1.5
257.19284	1.1
259.20621	4.7
261.22150	6.1
271.20645	1.0
273.22214	1.5
277.21701	2.3
285.22067	1.8
287.23785	1.4
299.23746	1.8
305.21146	1.5
307.22623	7.4
309.24222	4.7
313.25131	1.3
317.24902	1.6
331.22571	1.1
331.26511	1.1
333.24460	1.9
335.25894	6.6
337.27594	3.9
373.28119	1.0
389.30298	1.0
461.32748	1.7
475.39612	1.6
487.37952	1.2
493.40610	7.3
501.35620	1.4
503.37289	2.0
511.41830	2.2
515.37231	2.7
525.93726	1.1
567.43976	14.4
585.45197	100.0
586.45477	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	585.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01872	1.2
55.05261	1.1
55.05515	16.0
57.03444	6.0
57.07080	4.4
63.92424	0.7
63.95076	1.0
67.05508	50.8
67.07022	0.8
69.07072	19.5
69.90923	4.7
71.04987	2.8
71.08631	1.4
76.75482	0.8
79.05499	35.4
81.07060	52.0
82.92894	0.7
83.04990	1.5
83.08628	9.9
85.06547	2.9
91.05486	27.8
93.07050	38.7
95.04974	3.2
95.08611	44.9
97.06534	3.4
97.10188	5.5
98.20798	1.3
99.08083	1.9
103.05428	1.0
105.07035	30.5
107.08602	24.7
109.06547	2.3
109.10161	22.5
111.08086	2.2
113.09708	1.0
115.05464	1.5
117.07025	11.6
119.08588	25.8
121.06487	1.4
121.10145	26.0
123.08075	1.5
123.11708	8.7
125.09639	1.2
129.06990	7.0
130.07800	0.8
131.08572	21.0
133.08640	1.2
133.10147	21.8
133.61819	0.9
135.08153	0.9
135.11705	16.9
137.09627	1.7
137.13309	3.0
139.11159	1.1
141.07002	1.6
142.07777	1.3
143.08583	9.2
145.10127	20.9
147.11697	19.8
149.09605	1.9
149.13261	7.6
155.08594	3.5
157.10127	7.2
158.10968	0.8
159.11693	17.8
161.13249	8.7
163.11212	1.7
163.14865	3.2
169.10115	4.7
171.11708	10.2
173.13257	14.1
175.14864	6.3
177.16403	1.6
179.14278	0.9
181.10196	1.2
183.11720	3.3
185.13272	6.7
187.14783	6.2
189.16457	3.8
191.14323	1.5
195.11792	1.0
197.13315	2.8
199.14856	4.4
201.16400	2.9
203.14319	0.8
203.18022	3.0
205.19501	2.1
209.13332	1.3
211.14934	2.7
213.16454	6.5
215.18007	6.3
217.19640	2.1
219.17459	1.7
223.14792	1.7
225.16449	1.9
227.18089	1.8
229.19499	3.0
231.17499	5.7
231.21130	1.5
233.19029	4.8
235.20668	1.0
239.18111	1.3
241.19615	2.9
243.21118	1.5
245.18936	1.4
247.20648	1.4
255.21217	1.0
257.18936	1.4
259.20615	5.5
261.22064	6.4
273.22415	1.1
275.20123	1.5
285.22269	1.6
287.23676	2.3
289.21985	1.0
293.22098	0.9
299.23911	1.4
305.21265	2.3
307.22720	9.6
309.24283	6.1
317.24805	1.6
327.26852	1.9
333.24271	4.4
335.25885	6.1
337.27502	3.2
341.28537	1.5
355.29904	1.0
357.27954	1.1
373.27451	1.0
389.30447	0.8
411.33316	0.9
415.32391	1.0
423.32639	1.3
437.33612	0.9
461.32468	1.4
473.36240	1.1
475.39713	2.0
477.35773	0.9
493.40457	8.1
501.36111	1.1
511.41528	3.2
515.37238	2.0
567.44110	13.4
585.45203	100.0
586.45361	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	585.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.4
67.05512	20.6
69.03406	3.8
69.07073	11.8
69.61243	17.6
69.61655	9.4
79.05495	31.2
81.03445	5.5
81.07068	30.3
83.04982	70.9
85.02904	4.3
85.06521	4.1
86.06102	3.8
91.05482	41.6
93.07056	48.2
95.04081	3.4
95.04963	20.3
95.08620	28.2
97.02885	4.6
97.06557	19.7
98.21473	6.5
105.07044	62.0
107.02057	3.4
107.08604	58.0
109.06522	12.3
109.10170	18.6
111.04447	29.3
111.08070	6.3
115.07581	5.4
117.07014	19.9
119.04932	9.1
119.07785	7.0
119.08590	100.0
121.02875	9.5
121.06514	8.5
121.10142	34.2
123.08088	13.7
123.11715	15.8
125.05982	7.3
127.03893	4.0
128.06248	7.6
129.06990	18.7
130.07790	6.8
131.08580	54.8
133.10138	84.8
135.08075	13.6
135.11705	17.5
137.06071	4.3
137.09581	3.9
141.06984	7.8
142.07758	24.9
143.08569	38.9
144.09348	7.5
145.10132	87.2
147.04424	35.3
147.08064	12.8
147.11691	53.5
148.04770	10.1
149.09613	9.7
149.13226	8.5
153.07013	6.5
155.08571	26.8
156.09361	13.0
157.10133	88.4
158.10846	7.9
159.08116	8.8
159.11700	96.5
161.09734	17.1
161.13255	26.5
163.03897	5.6
163.11208	8.4
163.14824	9.1
164.04257	4.3
167.08643	9.1
168.09407	7.7
169.10168	23.3
170.10927	7.8
171.11711	62.7
173.09641	10.7
173.13272	61.4
175.11201	13.9
175.14865	13.0
177.12865	9.9
181.10133	9.4
182.10909	18.9
183.11705	42.8
185.09676	4.1
185.13246	45.3
187.11188	11.6
187.14873	21.1
189.12776	18.8
189.16501	4.9
191.14288	28.2
195.11713	12.0
196.12234	5.6
197.13280	69.7
198.14047	3.9
198.67938	3.5
199.11171	8.6
199.14816	30.5
201.12735	34.4
201.16443	9.7
203.14339	18.2
204.10229	14.5
205.10484	7.8
205.15816	4.3
207.11790	6.1
207.13753	5.0
209.13286	7.6
211.14880	12.8
213.12833	9.4
213.16577	4.7
215.14310	49.1
217.15910	16.4
219.11774	4.8
219.13799	5.0
221.13313	5.1
223.14850	7.3
225.16402	5.9
227.14233	6.5
229.12224	5.9
229.15921	10.2
231.13962	6.3
233.15422	6.6
251.17966	7.3
275.17987	4.8
279.12061	7.8
293.04568	5.4
309.04019	10.1
315.21262	4.1
319.15381	11.4
319.24283	3.9
337.25427	4.3
349.25259	4.9
353.15970	3.6
365.15912	11.0
387.26724	10.6
389.28235	8.6
399.26822	13.2
401.28235	7.9
417.27762	18.7
419.29306	14.1
421.22986	5.0
435.28879	9.6
438.23654	5.5
439.24161	22.4
445.27063	4.1
463.28674	10.2
481.29568	4.0
485.24854	4.6
505.28976	4.4
511.30502	5.6
521.28961	9.9
539.29956	13.9
549.28503	13.8
555.29333	11.6
557.31604	5.9
567.29468	18.2
582.99884	4.0
585.30786	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	585.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81385	1.3
55.05516	7.7
57.07064	2.6
63.51549	1.5
67.05507	6.4
68.42223	1.7
69.03416	2.5
69.07063	8.6
69.26293	9.2
69.26727	6.7
79.05511	13.0
81.03401	2.0
81.07058	19.2
83.04980	4.8
83.08567	2.0
87.00812	5.7
91.05486	20.5
93.07043	19.8
95.04951	5.2
95.08607	19.0
97.06548	9.1
98.21510	3.7
103.05476	3.1
105.07038	43.8
107.08601	27.6
109.06519	6.4
109.10152	7.4
111.04430	6.5
115.05431	4.7
115.07591	10.0
117.07010	11.2
119.08588	44.2
121.06526	9.8
121.10161	13.0
123.08064	6.3
123.11726	3.9
128.06223	6.4
129.07008	12.3
130.07762	3.8
131.04906	2.8
131.08572	65.6
133.06474	3.1
133.10132	24.1
135.08034	5.5
135.11685	6.6
137.09613	2.8
141.07028	4.8
142.07777	10.7
143.08575	25.1
144.09364	3.0
145.06554	1.9
145.10127	50.6
147.08064	11.0
147.11682	18.9
149.05984	1.7
149.09590	4.9
149.13255	4.0
151.07561	1.9
153.07013	2.3
155.08551	13.4
156.09355	13.3
157.08936	2.7
157.10141	35.1
157.11449	1.8
158.10902	4.7
159.08070	7.0
159.11693	41.3
161.09599	11.5
161.13240	14.6
163.07568	2.6
163.11189	11.8
163.14845	3.8
167.08557	3.1
168.09331	3.1
169.10091	14.4
170.10915	5.7
171.11696	29.4
173.09677	8.2
173.13272	100.0
175.11208	7.9
175.14836	32.5
176.11980	2.0
177.09184	1.6
177.12775	12.0
177.16360	2.6
181.10098	8.8
182.10941	6.7
183.11713	21.5
185.09613	2.2
185.13252	24.7
187.11151	5.9
187.14848	21.2
189.12717	9.9
191.14293	40.3
193.10114	1.9
195.11742	4.3
197.13283	26.7
199.11238	10.6
199.14842	33.5
201.07555	4.5
201.12749	24.5
201.16409	8.1
203.14360	10.0
205.12222	1.8
205.15958	4.6
207.11662	4.2
209.13278	5.8
211.14734	8.0
213.12753	4.4
213.16422	4.2
215.14304	19.7
217.12173	5.0
217.15831	7.5
219.13824	6.8
221.15364	3.4
223.14841	4.1
225.12831	2.1
227.14438	3.4
229.15846	7.2
231.13879	2.2
233.15498	3.0
237.16336	2.3
241.15997	1.9
243.13803	5.9
245.11690	4.4
245.15421	3.2
247.13150	8.0
247.17073	2.4
261.14801	3.2
265.16122	1.8
293.41986	1.6
339.14487	2.5
339.28351	1.8
349.12747	6.3
365.15738	1.8
371.27191	2.2
389.28543	2.7
399.26880	5.3
401.28589	1.9
407.30118	2.1
417.27835	8.6
419.29367	3.0
427.26175	2.4
435.28809	5.4
445.27301	3.9
463.28256	4.0
501.77768	1.8
503.28091	2.1
521.29065	2.4
541.27979	10.7
549.28430	3.8
567.29651	11.1
585.29297	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	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.4
57.07066	17.0
58.64166	6.4
61.21808	6.5
67.05515	36.9
67.05840	6.9
69.07065	26.4
71.08629	9.8
71.58694	10.7
79.05499	38.3
81.07058	52.2
83.08611	10.1
84.70319	6.7
89.06045	62.4
91.05489	46.1
93.07034	53.0
95.04965	20.9
95.08601	44.7
97.06519	15.6
105.07042	100.0
107.08598	50.6
109.06526	9.6
109.10156	34.3
117.07011	27.4
119.08580	99.8
121.06442	8.1
121.10143	37.1
123.08083	26.7
129.07010	25.3
130.07819	8.5
131.08563	50.3
133.08624	29.9
133.10141	45.0
135.08038	11.7
135.11697	18.7
137.09721	10.9
142.07793	21.3
143.08560	50.6
144.09282	8.3
145.06508	14.2
145.10135	70.5
147.08020	18.2
147.11707	31.2
149.09625	14.1
155.08574	25.2
156.09335	15.3
157.10135	55.4
158.10910	18.7
159.08018	9.9
159.11682	41.1
160.08817	67.9
163.11234	10.4
165.09111	30.4
167.08607	8.8
169.10120	24.6
171.11623	36.7
173.13243	28.9
175.11230	8.8
175.14796	17.2
177.11246	18.8
181.10075	16.7
181.12259	16.6
183.11697	30.9
184.12407	9.5
185.13301	21.2
187.11076	9.2
187.14705	10.0
189.12770	15.1
193.10101	7.4
193.22809	6.9
195.11728	20.6
197.13239	34.1
199.14912	10.9
203.14305	15.2
207.11615	10.0
207.13766	11.9
208.12633	10.6
209.13254	17.2
211.14838	12.0
221.13380	17.6
221.15440	42.4
223.14740	12.9
231.43277	7.0
234.16182	10.9
235.14743	8.6
236.61998	7.6
237.12785	7.1
237.16357	13.1
247.17067	14.0
266.77988	8.7
286.19348	15.5
299.20047	17.2
306.87769	7.1
311.29480	10.7
352.23901	52.7
365.24548	13.4
371.22791	22.1
391.26535	9.1
398.27637	7.4
491.35269	11.8
492.35358	27.5
504.36075	67.3
584.41821	54.3
584.56110	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	584.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05517	18.1
55.05734	3.8
57.07075	17.8
59.04998	3.1
65.03933	3.5
67.05511	24.0
69.03429	8.8
69.07063	13.7
70.06575	3.7
71.08622	3.6
71.51437	3.5
79.05499	27.7
81.07064	40.0
82.07392	4.2
83.04973	8.8
83.08610	9.7
85.06551	7.8
89.06045	18.9
91.05480	44.2
93.07053	49.9
95.04942	9.1
95.08616	36.6
97.06536	7.2
97.10158	4.4
103.05437	5.0
105.07042	74.4
107.08598	49.1
108.08908	2.8
109.06536	13.1
109.10172	17.3
110.10502	2.5
111.08073	3.2
115.05436	4.3
117.07034	19.3
119.08592	91.4
120.09440	3.9
121.06522	5.7
121.10143	32.1
123.08057	15.3
123.11698	6.1
125.05987	3.8
125.09651	3.7
128.06206	5.9
129.06999	13.7
130.07797	6.2
131.08580	46.6
132.09303	3.2
133.06482	4.0
133.08603	11.0
133.10141	44.9
135.08084	17.2
135.11684	16.3
137.09616	13.4
139.07545	2.7
141.06990	7.1
142.07779	19.1
143.08580	38.7
144.09425	12.3
145.10124	66.1
146.10806	3.9
147.08047	21.2
147.11740	15.0
149.09622	9.4
151.07550	10.7
151.11174	3.7
155.08607	13.5
156.09334	16.6
157.10141	63.6
158.10887	8.4
159.08075	6.0
159.11702	35.9
160.08855	2.9
161.09648	9.9
161.13242	8.8
163.11195	12.0
165.07047	4.2
165.09108	35.3
167.08586	8.5
168.09322	7.3
169.10124	27.9
170.10846	10.0
171.11711	31.6
172.12413	9.0
173.09633	6.1
173.13272	22.2
175.11226	18.9
175.14836	15.0
177.09201	3.3
177.11172	4.9
177.12709	3.6
179.08571	7.0
180.09334	4.0
181.10095	10.8
181.12210	8.1
182.10910	7.7
183.08144	2.6
183.11719	26.2
184.12321	5.4
185.09706	3.8
185.13261	18.5
186.13811	3.5
187.11185	6.4
187.14861	9.4
189.12715	8.0
190.13593	6.3
191.10580	2.8
191.14281	5.0
192.09467	3.9
193.10107	11.0
193.12225	10.4
194.10910	7.3
195.11761	20.8
195.13312	3.8
196.12474	7.2
197.09691	3.4
197.13280	19.6
198.10291	3.1
198.13951	3.0
199.11134	6.9
199.14896	6.1
201.12740	3.6
201.16318	4.3
203.08409	2.9
203.14322	18.2
206.11012	3.4
207.11671	16.8
207.13794	13.0
208.12254	3.2
208.14549	6.2
209.13306	17.3
209.15041	3.7
210.13972	7.7
211.11261	4.3
211.14825	12.8
213.12738	5.7
213.16275	4.3
217.15878	2.7
221.13214	8.4
221.15355	63.3
222.13910	4.3
222.15808	5.0
223.11095	4.6
223.14853	12.0
225.16298	6.2
227.14264	3.1
229.15897	3.3
231.11392	2.6
233.13243	4.3
234.16136	11.5
235.14819	8.5
236.15395	4.2
237.12790	5.1
237.16336	8.3
239.17892	3.9
245.13226	3.3
247.17010	10.0
249.16367	4.2
251.18056	5.9
253.15887	4.6
263.17935	5.1
269.18872	3.1
271.20770	2.9
275.17883	4.7
281.19046	5.5
283.20300	2.9
286.19318	4.8
289.19208	3.5
299.20020	10.1
300.28964	3.2
311.29416	9.6
312.24298	2.6
325.21594	8.4
337.21533	7.8
351.23514	2.7
352.19894	5.0
352.23972	69.2
352.28314	3.8
365.24622	12.6
371.22644	6.8
378.25626	4.5
383.25977	3.9
397.27420	5.3
398.28238	4.6
404.30710	5.2
411.29092	3.3
412.29626	19.6
425.30582	4.6
437.73068	3.1
438.31308	12.7
489.33249	5.8
491.34991	11.7
492.35480	7.1
504.35980	100.0
505.36621	4.8
566.40533	3.7
569.40125	3.3
584.42047	35.6
584.55994	18.1
585.44653	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	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.05507	20.4
57.07074	19.1
59.95873	4.3
64.87858	4.0
65.03953	5.5
67.05507	30.6
69.07072	18.9
70.06587	10.5
71.08637	7.1
79.05490	29.6
81.07054	58.9
83.04984	7.8
83.08618	12.9
89.06046	9.1
91.05481	44.8
93.07050	64.1
95.04971	11.9
95.08604	49.9
97.06512	8.2
98.21530	10.3
105.07032	100.0
107.08583	48.7
108.64267	5.6
109.06537	7.0
109.10155	23.6
117.07043	29.5
119.08596	89.4
121.06463	4.8
121.10137	45.2
123.08011	8.0
123.11684	6.5
124.79948	4.5
126.58094	4.0
128.06238	9.6
129.07019	13.5
131.08575	42.8
132.09338	5.2
132.10216	8.1
133.08592	5.2
133.10133	65.4
135.11685	30.1
142.07809	12.4
143.08543	30.2
144.09406	10.5
145.10121	69.2
146.11795	8.9
147.08063	5.2
147.11681	25.4
149.09531	6.5
151.11208	4.7
153.07060	5.4
155.08583	11.4
156.09349	12.8
157.10143	44.0
158.10860	6.0
159.11722	37.3
161.13278	15.1
165.07040	6.9
167.08582	10.7
169.10104	21.1
170.10852	4.9
171.11725	27.9
173.13242	12.8
175.14818	10.8
179.08559	8.7
181.10188	6.9
183.11676	24.4
184.12215	5.4
185.13223	13.9
187.14861	12.6
191.14255	7.6
193.10130	7.1
194.10866	6.1
195.11690	16.0
196.12413	8.6
197.13234	12.9
199.14842	9.6
201.16359	5.1
207.11716	8.3
208.12576	6.9
209.13245	18.1
210.13890	5.2
211.14812	15.3
220.12547	5.4
221.13153	8.8
221.15257	7.6
223.14821	11.3
225.16409	20.2
235.14813	7.2
237.16499	8.2
249.16212	8.0
251.17993	5.3
256.26331	5.6
283.26318	13.2
300.29019	19.2
311.29340	21.3
328.32095	5.7
330.00162	4.0
363.26941	9.9
368.70267	4.5
403.29816	12.3
449.33792	6.1
541.40204	10.7
566.40491	5.7
584.42145	31.8
584.56091	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
55.01878	2.6
68.98068	0.5
70.62419	1.8
72.85785	0.5
77.03955	0.8
85.02895	2.0
91.05419	0.8
95.04952	1.3
97.02930	0.8
99.04458	2.6
103.05473	34.4
107.04932	0.6
115.05508	0.8
119.04947	0.6
123.04462	1.2
131.04935	100.0
132.05212	0.7
133.06490	1.1
137.05066	0.8
137.05972	4.7
139.00359	0.6
145.06516	1.0
153.05421	0.8
161.06003	2.0
163.07552	53.4
164.07886	0.8
167.07083	3.6
172.05226	1.9
173.05968	0.6
175.07585	1.4
181.04980	0.6
182.07140	0.6
189.05486	2.3
191.07005	0.9
193.08617	0.8
203.07059	1.0
206.05702	0.9
207.10269	0.9
218.05785	1.7
221.08127	2.9
231.19296	0.6
233.08087	19.2
235.09738	1.5
251.09145	5.4
263.09207	6.6
281.10345	1.0
387.14346	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	583.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01863	2.4
55.05516	18.7
57.03433	4.9
57.07069	3.8
65.03941	2.2
67.05511	44.2
69.07071	16.5
69.77648	5.5
71.05003	2.5
71.08646	1.2
77.03961	1.3
79.05501	36.6
80.65873	1.2
81.07064	41.2
83.04972	2.8
83.08620	11.4
85.06536	2.4
91.05486	32.6
93.07053	36.4
95.04976	5.1
95.08616	32.1
97.06535	4.5
97.10182	4.0
98.21081	4.3
105.07041	35.9
107.04987	1.4
107.08599	22.2
109.06525	2.0
109.10174	13.8
111.08078	2.4
115.05453	2.4
117.07039	15.7
119.08596	32.2
121.10143	18.0
123.08096	1.8
123.11740	3.9
125.09629	1.9
128.06242	4.2
129.07021	15.2
130.07811	1.4
131.08578	22.8
133.08640	1.2
133.10141	29.6
135.08067	1.4
135.11687	12.8
137.09567	1.9
139.11292	1.2
141.07007	3.8
142.07809	2.7
143.08559	17.8
144.09332	1.4
145.10138	26.9
147.08113	1.5
147.11697	21.4
149.09679	2.4
149.13281	5.6
151.14859	1.4
154.07834	1.4
155.08571	8.0
156.09396	2.2
157.10135	19.2
159.11717	19.9
161.09679	1.6
161.13260	6.6
163.11244	2.5
163.14877	1.7
163.98302	1.1
167.08640	1.9
169.10172	9.6
170.10899	2.2
171.11700	16.3
173.13316	11.5
175.11180	1.2
175.14847	4.8
177.12749	1.8
179.08641	1.4
181.10167	5.4
181.12172	1.3
183.11659	10.2
185.13307	11.4
187.14804	8.3
189.16418	4.2
193.10071	1.7
195.11745	5.8
197.13290	8.6
199.11211	1.6
199.14816	8.1
201.16393	4.6
203.14409	1.3
203.18019	4.2
207.11757	2.0
209.13281	4.7
211.14799	6.2
213.16409	14.9
215.18030	3.8
219.11662	1.2
221.13345	1.6
221.15457	1.6
223.14906	3.8
225.16449	4.0
227.18004	3.6
229.15875	3.1
231.17496	12.5
237.16417	3.2
239.18044	2.9
241.19623	2.3
243.17615	1.2
249.16284	1.4
251.18053	2.2
253.19699	1.6
255.21121	1.7
257.19202	1.2
259.20587	2.0
265.19635	1.4
269.23041	1.2
275.20285	1.8
295.20596	1.3
297.22079	1.6
299.23511	1.5
305.21246	3.9
307.22723	1.7
323.23782	1.8
335.25851	7.4
338.28183	1.5
339.26605	1.3
353.28531	1.8
389.28104	1.6
395.44977	1.1
405.31247	1.3
460.68936	1.3
473.37909	1.6
491.39026	11.2
499.34439	1.2
509.39771	3.8
565.42523	8.7
583.43604	100.0
584.44122	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	583.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
53.03948	4.1
55.01874	1.5
55.05257	1.3
55.05514	18.4
55.89854	0.9
57.03440	6.2
57.07075	4.3
59.04981	1.2
65.03944	2.7
67.05510	47.1
69.07075	16.5
71.04990	2.5
71.08643	1.2
75.05502	0.7
79.05499	42.1
79.05962	2.1
81.03442	1.3
81.07066	49.4
83.04978	1.6
83.08630	10.5
85.06551	2.6
89.07752	1.0
91.05035	0.8
91.05486	40.8
93.07052	50.8
95.04951	5.5
95.08615	39.5
97.06538	4.9
97.10169	4.3
99.08096	2.3
103.05454	2.4
105.04569	1.7
105.07043	39.2
107.08604	25.2
109.04185	0.9
109.06538	3.4
109.10166	18.1
111.08109	1.8
115.05490	2.6
117.07032	18.0
119.08586	37.8
121.10153	26.5
123.08057	2.2
123.11713	6.1
125.09645	2.5
128.06253	2.8
129.07011	13.2
130.07814	2.1
131.07591	1.6
131.08578	29.4
133.06479	0.9
133.08632	1.2
133.10143	30.3
135.08075	1.4
135.11708	15.3
137.09624	2.3
137.13307	1.7
139.11201	1.1
141.07010	3.6
142.07819	3.9
143.08574	16.6
144.09340	2.2
145.10133	28.8
145.11290	1.6
147.08098	1.4
147.11699	25.3
149.09641	2.5
149.13275	8.5
151.11237	1.5
153.06989	1.1
155.01068	1.5
155.08536	6.0
156.09378	2.8
157.10143	17.4
159.11707	21.2
161.09753	1.3
161.13272	13.4
163.11192	1.2
163.14856	3.9
165.09148	1.3
165.12918	1.0
167.08607	2.4
168.09377	1.9
169.10156	9.4
170.10956	1.6
171.11711	19.2
173.13269	15.5
175.14853	9.1
177.12764	1.2
177.16431	1.1
179.08498	0.9
179.14473	0.8
181.10083	4.7
183.11711	9.2
183.13036	1.1
185.13281	10.6
187.14862	7.4
189.12692	1.3
189.16403	2.5
191.17812	1.3
193.10104	1.5
195.11731	4.5
197.13286	7.5
199.14803	8.4
201.16466	4.1
203.14401	1.7
203.18048	1.4
205.15996	1.3
207.11844	1.8
209.13234	4.9
211.14893	6.8
213.14790	1.1
213.16460	8.1
215.18021	5.6
217.15880	0.9
217.19601	1.8
219.11621	1.0
219.17545	1.1
221.15414	2.5
223.14903	2.7
225.16483	3.2
227.18045	2.4
229.16013	1.5
229.19502	1.4
231.17467	4.7
231.21138	1.9
233.19031	1.9
235.14906	1.7
237.16393	1.4
239.18088	3.3
241.19591	10.4
243.20877	1.0
249.11217	1.1
251.18082	1.2
253.19600	1.9
255.17503	1.4
255.21312	2.1
257.19113	4.1
259.20602	14.1
261.22095	0.9
265.19678	1.1
269.19095	1.1
283.20755	1.0
285.22388	1.5
287.20151	1.2
297.22226	1.3
299.20190	1.3
305.21252	1.6
307.22714	22.9
309.24527	1.1
311.23776	1.4
315.23480	1.7
333.24197	10.8
335.26089	4.0
339.27097	1.4
353.28732	1.6
383.29346	1.1
473.38251	2.9
475.34476	1.3
487.34415	1.7
491.39255	9.0
501.35962	1.0
509.40042	2.8
513.35596	1.2
541.41174	1.0
545.18121	1.0
547.41461	1.4
565.42462	9.8
583.43597	100.0
584.44031	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	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02103	2.1
53.03939	6.1
54.27303	1.9
55.05519	17.2
57.07063	9.4
57.33275	2.1
59.04995	4.6
59.37918	2.2
65.03929	5.0
67.05506	30.3
69.03426	8.6
69.07077	19.2
69.79360	2.5
71.59566	3.8
79.05496	29.0
80.25502	2.2
81.07059	37.1
83.04971	6.9
83.08637	14.7
84.56138	2.1
85.06538	6.0
91.04954	4.4
91.05489	47.1
93.07049	50.3
95.04978	11.3
95.08612	38.1
97.06539	10.5
97.10176	3.8
103.05469	6.6
105.04527	3.3
105.07035	69.5
107.08598	48.7
109.06520	11.8
109.10155	21.8
111.08091	3.4
113.09673	3.1
115.05463	3.8
117.07022	19.3
119.08589	80.1
121.06535	4.7
121.10143	54.5
123.08075	15.1
123.11696	5.6
125.09626	5.3
128.06248	11.1
129.07014	16.9
130.07819	6.2
131.08577	37.7
133.06479	2.3
133.10138	43.3
135.08063	10.0
135.11688	16.9
137.09615	7.4
139.11171	6.2
141.07027	8.2
142.07803	18.5
143.08572	39.9
144.09357	7.7
145.10124	51.8
147.08080	12.1
147.11711	16.7
148.08846	2.5
149.09605	11.2
149.13268	4.7
151.07579	8.6
153.07024	5.0
154.07726	6.0
155.08569	14.7
155.10687	3.6
156.09398	15.4
157.10133	50.1
158.10896	7.3
159.08105	8.2
159.11681	33.3
161.09671	4.9
161.13315	8.4
163.11243	6.5
165.06963	4.9
165.09145	18.6
166.07820	4.7
167.08582	11.1
167.10722	10.0
168.09375	7.1
169.10133	26.3
170.10983	10.7
171.11699	26.8
172.12241	2.6
173.09692	3.6
173.13275	21.3
175.11209	2.9
175.14874	11.7
177.12727	2.4
179.08595	11.8
179.14279	2.8
180.09302	3.9
181.10130	16.9
181.12112	11.9
182.10922	8.4
182.93991	2.2
183.11693	31.9
184.12491	3.6
185.09605	3.3
185.13242	17.7
187.14841	8.7
189.12746	5.0
189.16466	3.9
190.85027	2.3
191.14357	8.2
192.09366	4.5
193.10094	14.3
193.12315	2.1
194.11000	11.8
195.11723	18.0
195.13574	4.2
196.12506	6.3
197.13286	24.4
198.14101	2.7
199.14798	13.7
199.52872	2.1
201.16417	5.4
203.14322	9.9
205.10208	3.5
205.15982	2.3
206.10973	9.7
207.11736	14.3
207.13867	9.3
208.12512	7.2
209.13261	22.6
210.13962	4.5
211.14857	11.0
213.12680	3.2
213.16423	4.9
215.14409	3.4
217.10136	2.5
217.15942	3.6
219.11716	8.6
220.12529	3.2
221.13310	12.9
221.15427	46.1
222.14032	6.5
223.14815	14.4
224.15697	3.5
225.12901	3.2
225.14890	7.9
231.11873	4.4
232.12386	3.1
233.13260	8.4
233.15448	10.7
235.14857	10.2
235.17003	2.5
237.12828	2.5
237.16415	8.3
239.17931	5.3
244.12450	2.9
245.13301	6.4
246.14053	5.0
247.14847	9.2
248.15613	3.3
249.16489	6.3
251.18056	6.2
253.19450	2.6
257.13239	3.8
257.18970	3.7
259.14832	4.8
260.15659	3.8
261.16351	5.9
263.18045	5.0
265.19495	7.3
271.20752	3.4
273.16281	3.5
275.18033	9.5
277.19586	6.6
283.20667	8.3
287.20319	4.1
289.19583	4.5
297.22046	5.5
299.20169	3.4
317.22650	4.5
321.22086	2.5
331.24283	5.2
341.23013	3.1
343.24182	4.1
344.31635	2.3
349.25415	4.3
361.25162	2.6
365.24472	3.2
375.26874	5.0
377.24829	4.2
385.27054	2.5
397.29001	4.8
399.28809	4.5
415.29831	3.2
466.96164	2.4
491.35153	66.7
565.40344	21.6
583.41437	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96362	2.2
53.23751	1.9
55.01884	2.2
55.05514	23.1
57.03428	2.5
57.07077	8.4
59.74812	2.1
61.99702	2.4
62.50149	2.0
65.03957	4.8
67.05508	24.6
69.03427	8.4
69.07072	15.7
71.04995	4.9
71.58922	2.4
71.59274	3.1
74.03838	2.2
79.05495	29.0
81.07065	39.4
83.04996	13.4
83.08630	21.1
85.02911	6.2
85.06536	6.0
91.05485	39.9
93.07052	44.4
94.07385	2.6
95.04980	11.4
95.08617	31.5
97.06551	16.9
97.10173	2.6
99.04459	3.3
103.05479	2.8
104.06190	2.1
105.07034	65.8
107.08603	59.5
108.69646	2.0
109.06532	10.8
109.10155	29.1
111.08131	3.6
113.09653	5.5
115.05466	3.7
117.07030	17.9
119.08588	72.2
121.06552	4.6
121.10154	54.4
123.08079	16.6
123.11724	8.4
123.13609	2.4
125.09650	9.0
128.06239	11.7
129.07027	13.3
130.07750	6.1
131.08591	30.1
133.06512	2.9
133.10139	44.0
135.08083	9.3
135.11696	13.7
137.09660	6.6
139.11125	12.3
141.07024	9.6
142.07780	22.8
143.08568	39.0
144.09370	9.4
145.10138	55.0
145.28918	2.2
147.08057	9.9
147.11708	19.1
149.09673	8.8
149.13287	2.6
151.07597	6.3
153.07066	5.8
153.12764	2.6
154.07779	3.7
155.08559	19.6
155.10660	13.4
156.09354	16.7
157.10147	50.7
158.10855	8.1
159.07918	3.0
159.11713	29.5
161.09747	3.2
161.13307	9.4
163.11232	4.4
165.07007	7.6
165.09163	11.2
167.08594	7.8
167.10707	16.8
168.09409	9.2
169.10147	28.1
170.10948	7.4
171.11703	29.2
173.09631	2.9
173.13281	25.3
175.11172	3.8
175.14879	9.6
179.08562	15.8
179.14378	3.4
180.09409	7.2
181.10173	16.1
181.12167	11.8
182.11011	15.0
183.11703	27.7
184.12375	3.5
185.13268	23.4
187.14853	6.3
189.12791	3.2
191.08664	3.5
191.14375	5.6
192.09320	4.5
193.10146	19.7
194.10899	11.5
195.11693	18.5
195.13322	2.9
196.12488	7.3
197.13274	25.3
198.14038	2.6
199.14848	19.4
201.12814	2.7
201.16501	6.9
203.14375	6.5
205.10175	4.6
206.10963	12.1
207.11742	15.4
207.13750	5.6
208.12491	7.5
209.13281	22.1
210.14064	3.6
211.11349	3.7
211.14870	16.6
213.12718	3.8
213.16483	4.4
215.14420	4.6
217.10252	5.2
217.15932	6.2
218.11021	3.5
219.11717	8.9
220.12521	6.8
221.13293	17.2
221.15430	36.4
222.14011	4.5
223.14754	17.0
224.15520	3.8
225.14595	12.2
225.16673	6.3
227.14301	2.6
227.18011	2.8
230.10907	2.9
231.11688	4.1
232.12398	5.3
233.13275	12.2
233.15453	15.8
234.14050	4.0
235.14851	12.8
237.16400	4.7
239.18042	2.6
244.12579	2.8
245.13313	6.3
246.14130	5.6
247.14912	9.1
247.17119	5.1
248.15759	2.8
249.16524	8.2
251.18015	9.2
253.19611	3.5
257.13269	3.4
257.18954	5.0
259.14890	4.9
261.16434	7.8
262.17114	3.1
263.18021	7.5
265.19669	4.7
273.16263	4.5
275.18021	7.3
277.19513	7.6
279.21194	3.7
281.19022	2.2
283.20618	8.0
285.16144	3.5
287.18033	5.9
289.19614	6.3
291.21188	2.6
295.20752	6.9
297.22186	4.8
301.19427	3.5
307.41782	2.3
317.22717	3.5
329.22714	3.5
331.24338	4.0
335.23978	3.3
341.22797	2.7
347.23825	2.8
349.25311	5.3
357.25699	4.6
361.25595	5.4
363.26889	7.2
365.24869	3.6
375.27039	3.1
397.29010	8.2
403.30145	3.9
415.30069	4.7
444.35287	2.5
483.36237	3.1
503.34372	2.5
507.36047	2.3
509.34018	2.5
534.57556	2.7
547.39520	5.5
565.40552	35.8
583.41492	100.0
584.41614	4.5
595.25519	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01872	1.6
55.05511	13.9
57.03432	1.6
57.07078	6.5
59.05002	3.6
65.03931	3.2
65.66267	1.3
67.05521	22.8
69.03436	5.0
69.07068	19.3
70.77212	2.2
70.77547	2.6
71.05027	1.4
73.09351	1.4
73.35980	1.3
74.64673	1.5
79.05504	24.3
80.47546	1.4
81.03429	2.1
81.07070	31.6
83.04990	4.4
83.08633	10.0
85.06561	4.3
91.05492	36.6
91.06063	1.8
93.06461	3.0
93.07055	59.4
95.04976	10.9
95.08612	29.7
97.06560	5.4
97.10158	1.4
98.07800	1.5
103.05479	3.6
105.07042	55.4
107.04971	2.1
107.08605	35.0
107.38274	1.5
109.06532	6.4
109.10169	25.2
111.08080	1.5
111.11719	3.1
113.09659	1.4
115.05529	4.5
116.06242	2.1
117.07031	13.2
119.04966	4.0
119.06164	1.5
119.08593	62.3
120.08914	2.1
121.06528	4.1
121.10153	74.9
122.10496	1.6
123.08088	7.5
123.11681	7.8
125.09657	2.4
128.06226	9.5
129.07042	11.1
130.07816	6.2
131.08588	26.3
133.06474	1.5
133.10150	36.5
135.08066	4.7
135.11693	16.6
137.09651	4.9
139.11230	4.4
139.22937	1.5
141.07016	3.8
142.07780	10.7
143.08577	29.7
144.09346	4.8
145.06523	1.8
145.10136	48.0
147.08101	5.4
147.11705	12.9
149.09648	13.8
149.13272	3.3
151.07559	2.1
153.06992	1.8
154.07809	2.0
155.08534	9.8
155.10683	1.9
156.09358	11.2
157.10152	34.0
158.10895	3.3
159.08080	5.7
159.11691	22.7
161.09627	4.0
161.13266	4.9
163.11192	5.4
163.14896	1.9
165.07111	6.0
165.09167	3.6
165.12749	1.3
166.07803	2.2
167.08682	6.9
167.10699	100.0
168.09378	4.0
168.10921	1.5
169.10126	18.4
170.10947	5.4
171.08147	2.8
171.11726	21.2
173.09673	2.4
173.13284	15.9
175.11250	3.0
175.14893	13.6
177.12852	1.9
178.07774	2.7
179.08531	8.7
179.14398	2.1
180.09352	5.1
181.10123	11.4
181.12300	2.3
182.11032	7.4
183.11723	16.3
183.21686	1.3
184.12628	1.6
185.09644	2.5
185.13240	9.0
187.11217	2.6
187.14865	3.9
189.12817	4.0
191.14333	2.1
192.09390	1.8
193.10150	7.7
194.10953	9.9
195.11716	14.1
196.12459	4.5
197.13290	17.7
198.13884	2.0
199.11246	2.2
199.14854	9.5
201.16492	5.8
203.14424	4.4
204.09261	1.6
206.10922	4.8
207.11748	9.1
208.12468	5.7
209.13281	13.9
210.10544	1.8
210.13707	2.1
211.11200	2.1
211.14874	7.2
213.12692	2.0
213.16415	4.0
215.14418	3.9
217.10178	1.8
217.16034	2.2
218.10941	2.8
219.11816	4.0
219.17473	3.6
220.12587	3.6
221.13272	10.9
221.15462	10.2
222.14032	3.9
223.14844	9.7
225.12869	1.9
225.16489	4.0
227.17906	2.0
229.10245	2.0
231.11646	2.3
232.12587	3.0
233.13301	4.8
233.15439	14.5
234.14001	3.2
235.14893	7.4
237.12846	2.9
237.16435	5.8
239.17935	3.4
245.13330	2.8
246.14001	3.7
247.14853	4.7
249.16472	4.6
251.14375	1.6
251.18048	5.1
253.16072	2.1
253.19514	2.3
257.13104	2.6
257.19196	2.0
259.14926	3.2
259.20599	1.7
260.15268	1.8
261.16483	5.4
263.17816	3.4
265.19653	1.7
273.16229	2.1
273.18842	2.0
275.17957	4.3
277.19522	2.9
279.21149	2.2
281.19131	1.6
283.20654	1.8
285.16354	1.8
287.17914	2.3
289.19614	2.2
293.19150	1.5
297.22330	2.4
299.20197	3.4
311.20142	18.1
317.22699	2.2
321.22073	1.8
337.25287	1.6
343.24161	2.3
345.25739	1.8
347.23615	1.7
349.25397	2.7
351.23337	5.3
361.25195	1.8
363.26978	3.3
364.24228	2.1
365.24915	2.4
366.25174	1.8
375.26959	2.1
377.24796	5.3
491.34998	10.7
512.30548	1.6
547.39954	1.6
565.40479	10.5
583.41571	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88432	1.2
52.59114	1.3
53.03945	3.5
55.05520	7.4
57.07066	6.3
57.07315	1.2
59.05007	1.9
60.04808	1.4
67.05505	14.1
69.03421	5.0
69.07073	7.2
69.26570	12.5
69.26993	3.1
79.05486	10.2
81.07063	18.5
83.04985	3.4
83.08625	4.3
85.06561	2.4
89.44463	1.2
91.05484	20.4
92.66816	1.3
93.07046	28.4
95.04979	5.3
95.08611	23.1
95.09163	2.2
95.87778	1.4
97.06519	2.1
103.05499	2.4
105.07038	39.0
105.07761	2.1
107.04983	1.8
107.08598	21.0
109.06526	4.4
109.10155	10.8
111.08094	1.8
115.05447	2.6
117.07032	7.6
119.08583	34.1
121.06524	4.0
121.10151	20.1
123.08073	13.5
123.11726	2.8
125.06054	1.7
128.06232	5.0
129.06996	6.8
130.07741	2.9
131.08568	16.9
133.10124	18.5
135.08072	9.0
135.08980	1.3
135.11682	5.2
137.09622	9.3
139.11209	2.6
141.06985	2.0
142.07777	10.5
143.08582	14.8
144.09337	2.0
145.10127	23.4
147.08037	15.3
147.11676	7.3
149.09647	3.7
151.07535	16.1
151.11168	1.4
153.21158	1.3
154.07834	1.4
155.08594	9.1
156.09329	6.9
157.10141	26.8
158.10904	3.1
159.08069	2.8
159.11697	13.0
161.09636	2.6
161.13281	6.0
163.11198	5.4
165.06963	4.2
165.07635	2.0
165.09114	37.1
165.10492	2.0
167.08585	3.7
167.10777	2.4
168.09435	3.3
169.10132	10.7
170.10956	4.3
171.11697	13.1
173.09790	1.9
173.13275	7.9
175.11302	3.5
175.14841	4.0
179.08603	5.2
180.09369	3.3
181.10194	8.1
181.12277	2.6
182.11006	3.6
183.11719	11.2
185.09666	1.6
185.13275	13.0
187.11240	2.9
187.14839	3.7
189.12740	1.9
191.14365	2.8
192.09396	2.2
193.10098	6.6
194.10956	4.0
195.11699	11.6
195.13504	1.2
196.12466	4.9
197.09546	1.6
197.13284	13.0
198.14005	2.6
199.11339	1.7
199.14836	5.0
203.14339	14.0
206.10970	2.3
207.11765	7.9
207.13881	7.1
208.12529	3.3
209.13275	13.2
210.14032	2.9
211.14746	7.1
213.12886	1.9
213.16368	2.4
217.10104	1.4
217.15770	1.6
219.11749	2.2
220.12485	4.1
221.13338	5.9
221.15353	63.0
222.15715	2.4
223.14893	6.3
225.12852	2.0
225.16496	4.7
227.14426	2.4
227.17909	1.8
231.11700	2.4
231.17525	3.5
232.12509	1.6
233.13297	6.0
234.13943	2.1
235.14827	6.8
237.16359	2.7
238.17422	1.4
239.17892	1.9
246.14076	1.7
247.14828	2.6
247.17097	1.9
249.16438	5.4
251.17981	1.8
253.19522	1.8
257.19165	2.6
259.14682	2.2
261.16565	1.9
263.17993	2.7
265.19620	2.0
269.19217	2.0
271.20523	2.3
273.16333	1.8
275.17722	1.5
277.19687	2.7
279.21045	2.5
281.19266	1.9
283.20627	4.2
287.20291	2.4
289.19412	2.0
295.20898	2.2
297.22281	5.4
299.19974	2.0
300.20786	1.4
322.17010	1.7
332.38855	1.7
333.22006	2.3
349.25302	1.8
352.23880	2.1
365.24683	3.8
375.27032	5.3
385.29236	1.9
403.29996	10.4
437.30118	1.9
468.78406	1.6
491.35318	3.8
503.35388	4.7
509.34161	3.3
547.39337	2.0
565.40417	27.7
566.40894	1.6
583.41492	100.0
584.41479	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03943	6.2
55.01861	2.8
55.05520	16.8
56.33170	1.6
57.07076	12.9
62.21798	1.7
64.05872	1.6
65.03943	3.7
67.05508	29.9
69.03432	6.2
69.07067	24.3
69.55400	11.3
71.04996	4.2
74.79131	1.6
79.05495	34.2
81.03400	1.7
81.07061	44.8
83.04995	9.9
83.08626	11.0
85.06548	4.4
88.16297	1.7
91.04896	2.0
91.05480	55.7
93.07050	77.8
94.23014	1.5
95.04975	15.8
95.08607	42.0
97.06543	7.7
97.10209	3.4
103.05450	3.9
105.04544	2.4
105.07034	84.0
107.04919	1.8
107.08601	57.7
109.06526	12.4
109.10164	33.1
111.08093	5.6
111.11760	2.3
113.09692	2.1
115.05479	7.6
116.06273	2.7
117.07013	23.8
119.08586	96.6
121.06516	7.7
121.10146	74.6
122.10496	2.0
123.08071	16.0
123.11703	9.9
125.06033	2.1
125.09626	4.6
128.06229	13.6
129.07024	23.4
130.07794	7.2
131.08578	41.4
133.06558	3.6
133.07555	1.9
133.10132	46.9
133.11078	3.3
135.08121	8.9
135.11714	20.1
137.09601	9.8
139.11142	4.1
141.06981	11.0
142.07777	27.2
143.08565	48.9
144.09412	8.5
145.06561	2.5
145.10129	67.8
147.08041	11.4
147.11699	22.0
149.09644	12.3
149.13254	5.6
151.07628	8.2
153.07027	4.3
154.07809	2.2
155.08551	25.5
155.10654	3.4
156.09355	22.4
156.43034	1.7
157.10133	63.3
158.10974	8.9
159.08058	9.2
159.11699	35.4
161.09641	7.4
161.13235	9.1
163.11223	7.4
165.06938	8.4
165.09125	17.2
165.12834	2.2
166.07820	3.2
167.08591	10.7
167.10678	45.3
168.08099	2.0
168.09352	12.8
169.10146	35.2
170.10953	11.5
171.08055	2.0
171.11703	37.5
172.12549	4.6
173.09627	4.4
173.13258	30.6
175.11182	6.7
175.14803	15.7
177.09097	2.7
177.12694	2.0
179.08586	16.7
180.09395	8.9
181.10165	17.3
181.12242	6.0
182.10954	9.9
182.12390	1.8
183.08102	2.8
183.11673	29.6
184.12502	9.4
185.09682	2.6
185.13260	21.0
185.18089	1.9
187.11194	3.4
187.14851	11.5
189.12811	7.2
189.16473	2.5
191.08565	4.1
191.14281	12.6
192.09361	8.7
193.10138	15.5
194.10837	12.2
195.11690	26.3
196.12486	7.7
197.13249	27.1
198.14008	2.8
199.11197	3.8
199.14818	25.9
200.05185	1.7
201.12738	3.7
201.16396	5.3
203.14246	8.5
205.10158	6.6
205.15952	3.5
206.10876	9.9
207.11748	21.6
207.13612	2.8
208.12433	9.1
209.13269	28.4
209.15277	2.4
210.14049	3.8
211.11255	3.5
211.14848	10.8
213.16426	5.1
215.14374	4.9
217.10236	6.2
217.15894	14.6
218.10954	3.5
219.11740	10.4
219.13614	1.8
220.12547	5.5
221.13289	19.8
221.15428	31.8
222.14017	4.5
223.11317	2.0
223.14815	16.5
224.15398	1.9
225.12685	2.1
225.16455	6.6
227.14351	2.7
229.10204	2.7
229.15898	2.7
230.10893	3.9
231.11771	5.0
231.17401	2.1
232.12482	4.9
233.13225	9.2
233.15453	15.7
234.14018	5.1
235.14828	13.9
235.16969	2.8
236.15585	3.4
237.16386	8.1
239.14371	2.9
239.18073	4.8
243.11804	3.0
243.17235	2.7
244.12338	2.5
245.13159	8.4
246.14046	5.7
247.14841	11.1
247.17030	3.1
247.24292	2.7
248.15697	3.4
249.16359	9.5
250.17159	2.2
251.17944	8.5
255.17566	2.8
256.12402	2.5
257.13336	2.6
257.19046	7.5
258.14154	3.7
259.14807	7.1
260.15646	3.9
261.16293	11.3
263.17960	8.0
265.19458	9.6
265.25336	2.4
267.17545	2.8
269.13190	2.8
269.19058	4.9
271.14893	4.0
271.20496	2.2
272.15237	2.4
273.16345	5.7
275.18008	7.9
277.19495	3.2
279.20956	2.7
281.19070	3.9
283.14954	2.4
283.20563	13.2
285.18634	2.7
287.17776	4.0
289.19626	2.7
293.19000	3.8
295.20535	5.0
297.21991	3.0
299.20471	3.2
303.20981	2.2
305.19077	2.0
307.20602	3.0
309.22153	3.0
331.24252	4.3
335.23950	2.9
339.28848	3.1
343.24243	2.3
345.21930	2.0
349.25333	6.8
357.25754	2.3
359.23950	1.8
375.26895	3.2
377.24646	2.2
391.26218	2.1
401.28247	2.7
403.29910	4.3
413.29044	1.9
473.34207	2.4
491.35104	5.8
513.69373	1.9
547.39801	2.6
565.40369	18.7
583.41455	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16874	1.3
53.03944	3.4
54.18240	1.4
55.05516	12.6
57.07071	7.5
59.02547	1.2
59.05004	3.3
65.03938	3.6
67.05508	20.4
69.03452	6.3
69.07076	15.7
70.31900	3.9
70.32249	2.1
71.05009	1.4
74.57758	1.2
77.03932	1.5
79.05494	21.5
81.07061	27.0
83.04983	5.3
83.08607	7.0
85.06544	6.2
91.05485	35.9
93.07052	49.9
95.04979	7.5
95.08044	2.6
95.08611	32.4
97.06535	6.1
97.50851	1.2
103.05463	4.2
105.04524	1.2
105.07037	57.2
107.08602	40.4
107.09232	1.2
109.06532	7.6
109.10168	19.3
111.08109	2.5
111.11726	2.0
113.09666	1.8
115.05470	4.4
116.06233	1.4
117.07021	12.0
119.08585	62.6
121.06514	3.8
121.10151	53.8
123.08071	15.9
123.11720	5.8
123.12556	1.3
125.05982	2.6
125.09619	2.5
128.06262	6.9
129.07005	11.3
130.07805	5.2
131.08577	24.1
133.06517	3.0
133.10135	33.7
133.11089	2.5
135.08047	8.0
135.11679	12.2
137.09593	7.4
141.07014	7.2
142.07794	17.3
143.08560	31.2
144.09357	5.9
145.06534	1.5
145.10127	42.5
147.08096	8.8
147.11688	14.7
149.09631	9.7
149.13258	3.0
151.07555	12.3
151.11121	1.5
151.64851	1.3
153.07005	4.1
154.07695	1.6
155.08575	12.6
156.09373	14.4
157.10133	37.3
158.10925	6.9
159.08081	5.3
159.11700	20.4
161.09666	6.1
161.13254	7.2
163.11198	5.1
165.07002	4.9
165.09120	17.4
166.07803	4.0
167.08661	7.4
167.10677	30.0
167.12074	1.7
168.09373	6.1
169.10156	23.9
170.10942	6.9
171.08156	1.8
171.11705	24.6
172.12485	2.7
173.09668	4.1
173.13266	17.8
175.11223	4.5
175.14816	9.9
177.09116	1.3
179.08556	10.6
180.09334	5.1
181.10143	12.5
181.12213	5.0
182.10895	6.5
183.11705	21.6
183.13199	1.8
184.09175	1.4
184.12495	4.8
185.13269	14.2
187.11205	4.3
187.14874	7.0
189.12759	6.9
189.16521	1.8
191.14326	6.2
192.09355	4.0
193.10086	11.6
194.10881	10.4
195.11739	17.8
196.12524	6.1
197.13257	18.9
197.14967	1.7
198.14114	1.4
199.11124	2.3
199.14828	11.2
201.12886	2.0
201.16422	2.9
203.08626	1.7
203.14346	5.9
204.09358	1.4
205.10204	3.9
205.15993	1.8
206.10965	5.8
207.11755	15.4
207.13832	7.8
208.12485	7.3
209.13281	22.9
209.15211	1.2
210.14044	1.7
211.11253	1.7
211.14822	10.3
213.12831	2.6
213.16382	2.4
215.14365	4.6
217.10173	2.4
217.15935	5.9
218.10919	3.2
219.11646	6.3
220.12537	5.1
221.13281	13.6
221.15424	26.4
222.14005	2.4
223.11191	2.3
223.14825	12.7
225.12817	1.6
225.16327	6.5
227.14384	3.0
229.15782	2.7
230.10997	1.5
231.11746	3.5
232.12473	4.1
233.13292	9.0
233.15442	12.1
234.14005	2.5
235.14845	8.9
236.15564	1.7
237.16464	5.7
239.14299	1.7
239.18001	3.5
241.15692	1.3
243.11740	2.1
245.13338	6.0
246.14142	3.5
247.14822	6.3
247.17050	2.1
248.15649	1.9
249.16403	8.6
250.16954	2.2
251.17921	6.8
253.15894	2.0
253.19601	2.9
255.17363	2.8
257.13275	3.1
257.19070	3.8
258.14087	2.7
259.14816	4.4
260.15811	2.8
261.16373	7.9
262.16885	1.6
263.17981	5.5
265.16541	1.4
265.19440	7.8
269.19019	3.5
271.14713	1.8
273.16443	4.7
274.17203	2.5
275.17865	6.5
277.19696	4.2
281.19101	1.8
283.20572	8.0
285.16223	1.6
287.17691	3.0
287.20538	1.6
289.19409	3.5
293.19028	2.0
295.20621	3.6
297.22305	2.5
299.17679	1.9
303.21146	2.0
315.21136	1.8
317.22452	2.3
329.22769	2.4
331.24258	4.1
335.23779	3.7
347.23605	1.9
349.25244	4.8
357.25754	3.2
361.25433	4.2
373.25403	1.8
375.26923	3.1
377.24789	1.6
403.30106	4.7
415.30215	1.6
427.30087	2.8
491.35196	5.2
509.33813	2.1
527.35718	1.5
547.39819	3.0
565.40381	20.7
583.41486	100.0
584.41437	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.5
53.03948	3.2
53.59173	1.9
55.05508	11.1
57.07074	6.7
57.54644	2.2
59.05000	3.9
62.36501	1.9
64.24004	2.2
65.03946	3.5
66.64581	1.7
67.05502	23.4
69.03419	4.6
69.07083	13.9
69.93692	11.7
78.84488	2.0
79.05504	25.8
81.07062	30.3
83.04982	4.6
83.08618	6.8
85.06553	4.7
91.05495	38.6
93.07050	49.3
95.04972	7.3
95.08613	33.8
97.06553	4.9
98.20729	3.6
103.05502	2.5
105.04533	2.5
105.07043	57.1
107.08604	35.7
109.06513	6.0
109.10172	16.9
112.00310	2.6
115.05437	2.7
117.07034	11.6
119.08589	60.8
121.06507	5.4
121.10150	40.7
123.08090	20.2
123.11709	6.0
128.06226	9.1
129.07031	13.8
130.07770	5.6
131.08591	32.0
133.06514	2.6
133.10139	27.7
135.08105	7.7
135.11674	10.3
137.09628	9.1
139.11191	3.0
141.07030	5.9
142.07808	16.7
143.08577	25.2
144.09334	4.5
145.10130	39.3
147.08028	13.6
147.11688	15.5
149.09671	6.3
149.13307	2.3
151.07561	19.5
153.07086	4.3
155.08563	16.4
155.10674	2.3
156.09393	15.1
157.10155	41.0
158.10876	6.4
159.08087	4.8
159.11687	20.3
161.09628	4.3
161.13269	8.3
163.11174	5.2
165.07050	4.9
165.09120	30.7
165.10330	2.9
167.08604	8.8
167.10684	13.4
168.09406	7.5
169.10126	24.2
170.10927	7.1
171.11710	25.9
172.12485	2.8
173.09659	4.0
173.13271	18.0
175.11217	2.0
175.14877	7.7
179.08583	10.2
180.09335	3.5
181.10176	15.5
181.12291	3.3
182.10904	6.4
183.11699	22.1
184.12422	3.2
185.09599	2.2
185.13281	18.2
187.14856	6.7
189.12816	5.7
191.14389	5.8
192.09369	3.3
193.10115	13.2
194.10939	7.9
195.11766	16.3
196.12466	5.2
197.13280	19.8
199.14859	11.1
201.16437	3.1
203.14290	15.5
205.10089	4.1
206.10938	7.1
207.11746	16.1
207.13805	6.0
208.12474	6.4
209.13289	21.1
210.14014	5.5
211.14841	9.3
213.16502	5.1
215.14476	2.7
217.10144	3.3
217.15901	4.4
218.10925	2.4
219.11736	6.0
219.13879	2.0
220.12515	6.6
221.13297	14.6
221.15436	50.1
222.13995	4.7
223.14807	11.2
225.16501	3.2
231.11690	4.5
231.17456	3.7
232.12494	4.1
233.13234	9.0
233.15306	3.6
234.14053	2.9
235.14796	11.0
237.16432	6.0
244.12521	3.2
245.13309	5.8
246.13901	2.6
247.14897	7.1
249.16447	8.7
251.18013	5.8
253.19623	3.9
257.13516	2.8
257.19202	6.1
259.14960	6.5
260.15527	4.5
261.16443	9.4
263.18112	3.9
265.19528	5.2
267.17615	2.6
269.19086	3.8
271.14822	3.1
273.16476	4.9
274.17087	3.0
275.17969	5.5
276.18695	2.2
277.19501	3.1
279.17642	2.4
283.20660	9.6
295.20636	4.5
297.22235	2.8
299.20145	3.6
309.22318	2.7
331.24261	4.5
349.25403	6.1
357.25739	3.1
365.24741	2.9
375.27078	5.8
397.20084	2.2
403.30096	7.6
491.35376	4.6
503.35199	5.2
547.39355	4.5
565.40497	23.7
583.41510	100.0
584.41913	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	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07261	1.6
53.03949	6.8
55.01891	2.3
55.05521	19.5
55.35933	1.7
57.07074	12.6
59.05002	6.6
60.34622	1.8
65.03957	5.3
67.05511	28.8
69.03448	9.4
69.07076	25.1
70.39915	3.5
70.40273	3.2
71.08668	1.6
73.22266	1.7
77.03936	2.0
79.05500	31.3
81.07069	38.0
83.04993	10.5
83.08633	11.8
85.06551	9.9
91.05492	56.6
93.07061	70.1
95.04981	15.6
95.08619	44.5
97.06541	5.6
97.10172	2.6
103.05477	5.0
105.04568	2.2
105.07043	92.2
107.04943	2.5
107.08610	58.1
108.08897	1.9
109.06547	11.9
109.10177	26.0
109.10919	2.7
115.05466	10.6
116.06248	3.5
117.07034	21.6
119.08598	100.0
121.06530	5.6
121.10159	62.2
121.11025	2.9
123.08081	16.8
123.11736	8.4
125.06036	2.7
125.09662	3.2
128.06241	18.5
129.07021	20.6
130.07796	11.2
131.07657	1.1
131.08588	40.5
133.06543	3.7
133.10143	45.6
135.08070	13.1
135.11719	18.8
137.09650	14.6
139.11264	1.8
141.07005	13.3
142.07796	33.5
143.08577	52.2
143.09688	2.9
144.09398	10.6
145.06589	2.1
145.10150	61.1
145.11288	3.3
147.08052	16.2
147.11720	19.0
149.09602	9.2
149.13286	5.1
151.07582	14.0
152.06233	2.5
153.07033	8.1
154.07826	6.5
155.08565	25.0
156.09366	24.2
157.10139	67.4
158.10925	11.1
159.08087	4.8
159.11722	32.8
161.09668	8.1
161.13351	8.8
163.11217	8.5
165.07045	7.6
165.09116	34.7
166.07822	3.9
167.08614	15.6
167.10722	18.0
168.09399	11.4
169.10144	40.0
170.10988	9.6
171.11720	38.2
171.13132	2.9
172.12474	3.8
173.09689	5.5
173.13274	30.7
175.11275	6.4
175.14838	11.4
177.12733	2.4
178.07802	2.3
179.08572	23.2
180.09332	9.8
181.10141	21.1
181.12289	6.5
182.10966	13.0
183.11720	38.1
183.13222	3.1
184.11028	2.1
184.12460	8.8
185.09749	2.3
185.13286	21.4
187.14844	8.9
188.10342	1.8
189.12810	5.8
191.08621	5.0
191.14355	12.5
192.09412	9.0
193.10161	22.0
194.10963	16.3
195.11728	31.9
196.12531	7.0
197.13263	24.2
198.14040	3.0
199.11174	3.7
199.14874	20.6
201.12912	2.2
201.16455	2.4
203.08617	3.2
203.14336	18.1
205.10196	8.1
205.15968	2.0
206.10954	7.9
207.11771	24.6
207.13924	5.8
208.12517	10.6
209.13297	33.7
209.15269	3.6
210.14043	5.0
211.14862	16.9
213.12820	3.8
213.16452	5.1
215.14308	2.5
217.10213	8.2
217.15950	8.8
218.11061	5.6
219.11731	13.9
220.12564	9.9
221.13339	17.7
221.15459	67.7
222.14088	5.3
223.14870	15.6
224.15796	2.6
225.16486	6.8
227.14261	4.7
229.15956	2.8
230.10921	4.3
231.11710	9.2
231.17465	2.9
232.12541	7.6
233.13326	14.6
233.15469	7.3
234.14165	6.2
235.14809	16.0
236.15517	2.7
237.12813	2.3
237.16431	11.0
237.21840	1.8
239.18063	4.7
241.15942	2.4
242.11035	2.1
243.11790	3.3
243.17239	2.2
244.12619	4.4
245.13258	9.3
246.14117	8.7
247.14798	10.4
248.15536	3.8
249.16267	9.1
250.17192	2.2
251.14601	2.1
251.18037	5.8
255.17635	3.7
257.13330	4.5
257.19135	7.7
258.14041	4.6
259.14828	8.6
260.15778	3.7
261.16299	11.1
263.18069	7.2
265.19623	7.6
267.17661	2.3
269.19168	4.4
270.14114	3.2
271.14841	3.6
271.20688	2.9
273.16495	5.7
274.17188	3.7
275.18002	14.4
277.19449	4.2
281.13181	1.9
281.19116	3.8
283.14926	2.0
283.20609	19.3
287.17636	3.5
287.20456	4.4
288.18729	2.4
289.19672	5.0
295.20660	4.1
297.22266	2.2
303.21088	3.0
307.20734	2.3
309.22153	2.4
317.22778	3.7
321.22098	3.0
329.22659	2.6
331.24274	5.6
347.23865	3.4
349.25305	8.3
361.25543	4.1
373.25464	1.9
375.26929	6.5
403.30057	4.0
461.39734	2.2
491.35156	6.8
503.35495	5.8
509.34329	2.0
547.39355	4.8
565.40417	19.2
583.41595	85.8
584.41980	5.9
593.43933	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	583.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92481	1.5
55.01869	4.5
57.03438	1.9
65.03933	3.6
69.03441	2.4
69.57137	4.1
69.57560	7.9
79.05492	4.0
81.03425	4.7
83.04916	1.7
84.22842	1.6
85.02920	9.8
91.05486	100.0
93.07053	2.4
95.01274	1.8
95.04971	2.6
97.02885	5.1
98.21515	2.9
99.04389	1.7
103.05471	4.1
105.07034	95.8
107.04973	2.8
107.05672	1.9
109.02859	4.7
115.05476	13.3
117.07025	4.0
118.08479	1.8
119.04954	2.9
121.02867	5.9
123.04419	1.7
129.06989	5.7
131.04947	2.6
133.06517	9.0
135.04372	2.3
137.06013	5.4
141.07033	1.6
143.08578	2.2
145.06509	3.4
147.04401	4.8
149.02356	2.0
151.03912	6.7
155.04898	2.0
157.06474	6.7
159.04506	2.2
161.06013	3.0
163.03903	13.0
167.07127	1.9
167.08574	2.0
171.04327	2.3
173.02371	1.8
173.06122	2.7
175.03952	5.8
177.05475	6.3
178.05864	1.6
178.07767	2.7
181.04941	5.4
181.06404	2.1
185.05919	2.7
187.03906	2.9
189.05499	2.6
190.58107	1.6
191.03416	2.4
191.08585	3.0
193.04916	3.1
193.10089	1.9
195.08078	2.0
196.13747	1.9
197.06154	1.7
201.05557	2.4
205.04962	9.4
205.10059	2.0
211.07535	1.8
213.05437	3.5
217.05023	11.2
217.10335	1.9
225.05443	2.8
228.09230	2.0
229.04968	4.7
229.10178	2.0
241.04997	2.5
242.92841	1.9
245.09769	1.9
247.06006	4.7
248.08345	2.0
249.09172	3.5
255.06657	1.7
259.05945	4.0
263.07062	2.1
265.08554	3.0
271.05884	4.1
271.09738	3.7
271.71304	1.7
275.10757	1.8
277.08578	4.8
277.88995	1.9
279.10327	2.1
283.06238	2.2
283.09698	7.6
289.08618	4.0
291.06726	2.0
291.10214	2.6
295.09616	7.9
301.10831	3.1
303.10269	3.8
307.09631	6.6
309.07568	2.4
311.09119	3.3
313.10715	12.5
319.09451	3.3
321.11075	2.9
325.07208	3.0
325.10635	18.8
331.09689	4.5
333.11160	1.8
337.10696	24.5
349.10718	20.1
361.10632	11.7
363.12259	2.4
365.10233	2.0
367.11697	20.7
369.11267	2.6
373.10721	8.7
379.11682	27.1
391.11786	26.7
397.13208	9.8
403.11707	20.8
409.12949	7.8
415.13995	30.1
427.13705	6.6
433.13010	21.7
445.06180	1.7
445.13095	10.3
451.13950	8.9
457.12610	4.3
463.13766	12.0
469.14929	5.4
475.13962	8.1
481.14914	16.5
493.14676	6.2
511.16116	4.4
517.32666	2.0
529.17047	3.3
553.55719	1.7
583.21588	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	583.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
53.75026	1.7
55.05514	7.5
62.56554	1.9
63.74883	1.7
67.05511	9.8
69.07069	6.7
71.60203	2.6
74.38091	1.9
79.05493	11.1
81.03438	5.0
81.07059	14.8
83.04989	2.7
83.08616	3.4
87.00858	3.3
91.05478	17.8
93.07040	19.7
95.04970	4.1
95.08602	14.1
97.06547	6.4
97.10174	2.1
97.11230	1.6
103.05466	2.8
105.07041	100.0
107.08604	27.6
109.06521	2.5
109.10167	8.3
111.08109	2.5
115.05476	2.2
117.07025	9.7
119.08595	47.0
121.06522	35.6
121.10143	14.2
123.08089	6.3
123.11723	1.8
127.04018	1.8
128.06279	5.1
129.07014	12.2
130.07813	2.8
131.08574	77.4
133.10150	18.8
133.78157	1.8
135.08043	7.3
135.11702	6.9
141.07054	4.3
142.07776	10.6
143.08569	30.6
144.09366	5.1
145.10136	68.4
147.08072	5.8
147.11699	31.3
149.06024	3.1
149.09636	4.2
155.08575	14.3
156.09332	10.5
157.10143	43.6
158.10938	6.9
159.08095	3.8
159.11696	41.2
161.09671	10.7
161.13220	10.3
163.11198	8.0
163.14832	11.7
167.08589	4.4
168.09383	6.9
169.10158	14.5
170.10925	7.7
171.08115	1.8
171.11714	26.7
173.09680	2.2
173.11736	4.0
173.13274	83.1
175.11240	4.4
175.14839	9.6
176.12047	5.1
181.10181	6.4
182.10938	5.8
183.11713	36.1
185.09679	3.9
185.13280	37.2
187.11237	5.8
187.14799	16.7
189.12750	14.4
189.16365	2.4
191.14328	52.7
193.10005	2.8
195.11684	6.7
197.13271	31.2
199.11240	6.0
199.14842	43.8
201.12790	12.1
201.14557	1.8
201.16341	8.6
203.14331	4.9
205.15967	2.8
209.13338	4.3
211.14951	3.1
213.12744	3.8
213.16377	2.6
213.45201	2.0
215.14336	10.0
217.15918	7.9
219.13779	4.4
219.17404	2.8
221.13423	2.4
223.14874	7.5
225.16394	4.5
227.14345	6.2
227.17891	1.8
231.13791	3.6
233.15547	2.1
235.13200	14.5
243.13887	5.8
245.15460	6.0
251.18042	2.7
288.48596	2.3
369.25815	1.8
371.27557	3.1
387.26611	3.5
389.28424	3.3
397.25256	1.9
405.28030	5.3
409.27322	2.2
415.26447	5.3
433.27365	21.4
435.28778	5.2
443.20593	2.1
451.28464	22.6
461.26904	4.3
473.59222	1.9
479.27942	8.3
497.29102	8.5
519.27313	2.4
521.28558	2.1
537.28412	12.3
565.28015	37.5
583.29016	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	582.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.6
55.68031	2.7
55.83234	2.6
57.07072	3.3
59.05011	3.3
61.15074	2.7
61.72345	3.0
67.05512	13.6
69.03449	2.7
69.07069	11.4
70.20375	7.0
70.20771	6.1
79.05488	16.6
81.07066	30.0
83.04986	3.1
83.08628	8.9
86.83075	2.6
91.05486	30.3
91.25077	2.5
93.07060	29.4
95.04980	52.4
95.08616	19.1
98.21418	4.5
103.05514	3.6
105.07043	61.2
107.05003	3.0
107.08609	36.0
109.06544	6.8
109.10170	12.1
111.08118	3.9
112.11217	3.0
115.05484	6.2
117.07012	14.1
119.04997	4.3
119.08588	62.0
121.06538	4.9
121.10146	34.0
123.08092	11.6
123.11694	6.7
128.06244	16.0
129.07016	21.1
130.07771	6.3
131.08578	39.9
133.06488	5.0
133.10139	29.3
135.08078	11.0
135.11731	7.9
137.09615	4.1
141.07031	9.8
142.07794	19.3
143.08580	58.3
144.09454	6.7
145.06476	5.0
145.10143	45.0
146.07381	4.5
147.08040	7.9
147.11691	13.9
148.08899	3.2
149.09618	8.2
151.11160	5.7
153.06995	4.7
154.07875	3.3
155.08574	20.4
156.09366	17.1
157.10159	41.7
158.10910	9.6
159.08098	13.8
159.11736	18.8
160.08910	4.5
161.09604	17.2
161.13284	4.4
163.11234	4.0
165.07004	8.8
166.07828	5.2
167.08597	10.2
167.10738	10.9
168.09361	10.1
169.10141	31.9
170.10938	3.8
171.08029	5.3
171.11719	30.4
173.09650	13.3
173.13263	13.8
175.11214	5.5
179.08597	10.4
180.09370	6.1
181.10135	17.1
182.10939	8.5
183.11734	33.5
184.12535	4.8
185.09618	8.0
185.13232	15.8
187.11238	10.8
187.14877	4.3
188.12000	3.7
189.09135	5.5
189.12733	7.2
191.14397	10.1
192.09369	5.4
193.10165	16.9
194.10934	7.4
195.11687	24.8
196.12549	6.4
197.09631	4.5
197.13287	22.0
198.13914	3.3
199.11214	11.4
199.14862	11.5
201.12823	6.9
203.14297	3.1
206.10966	8.3
207.11742	20.0
208.12553	6.2
209.09636	3.4
209.13211	21.4
210.10529	4.3
210.14064	5.8
211.11240	9.1
211.14815	10.8
213.12769	6.9
213.16388	4.2
215.10786	3.4
215.14342	4.9
216.74892	2.9
217.12228	4.8
219.11708	8.3
220.12549	7.2
220.14752	2.8
221.09621	3.3
221.13269	12.3
221.15248	3.9
222.14120	4.2
223.11145	7.5
223.14877	12.4
225.12868	6.8
225.16393	5.0
227.14352	11.8
231.11681	7.8
232.12456	5.2
233.13223	11.2
233.15326	6.7
234.13988	3.7
234.83565	3.4
235.11244	3.2
235.14886	7.9
237.12735	3.9
237.16470	4.4
239.14267	6.2
239.17966	4.6
241.15958	6.6
245.13335	7.0
245.15569	3.4
246.14082	2.9
247.14900	10.4
248.15402	4.8
249.12738	3.1
249.16469	4.3
251.14381	6.0
253.15834	7.3
255.17480	4.9
259.14734	4.9
261.16403	4.8
263.14264	9.0
265.15842	5.4
271.17130	5.5
273.15863	3.7
273.18555	49.9
275.14008	3.4
277.19522	4.3
279.17673	4.2
283.26367	4.8
286.19476	5.4
289.15759	5.5
290.10834	3.4
291.17258	5.9
299.20132	22.0
315.20981	4.1
319.20645	9.5
325.21695	6.4
331.20404	3.1
334.22937	3.5
337.21652	30.3
351.23370	5.8
352.24002	100.0
353.24728	6.7
363.23126	4.8
365.24847	11.5
429.27841	4.2
434.28104	6.8
444.30334	40.3
445.30884	8.6
490.34247	10.6
521.37903	3.2
539.38611	3.1
582.40698	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	582.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
55.05500	11.8
57.07083	5.9
62.58671	5.0
65.03934	7.1
67.05495	23.6
67.55694	3.9
68.12323	4.1
69.03410	5.4
69.07072	20.2
71.43521	7.2
79.05491	26.3
81.07059	36.9
83.04974	8.4
83.08609	6.3
85.25198	4.1
86.02978	3.9
91.05502	42.0
93.07048	57.4
95.04976	73.8
95.08617	30.2
97.06544	6.6
103.05469	7.3
105.07022	87.8
107.08602	39.3
109.06531	11.7
109.10163	14.2
110.83601	4.2
115.05419	5.7
117.07015	29.6
119.08585	79.8
120.09319	4.2
121.06473	11.2
121.10144	71.2
123.08083	25.9
123.11646	5.5
124.74071	4.7
128.06216	15.1
129.06972	25.8
130.07767	16.8
131.08580	46.8
133.06491	15.9
133.10141	44.3
135.08070	14.7
141.07005	16.2
142.07808	21.7
143.08554	66.0
144.09349	10.8
145.06438	7.2
145.10114	98.4
146.07265	12.3
147.08052	13.7
147.11678	19.7
149.09637	12.8
153.06912	6.9
154.07787	6.6
155.08533	31.3
156.09340	22.8
157.10144	47.8
158.10878	14.7
159.08034	24.3
159.11694	23.9
161.09610	16.2
165.06970	11.9
167.08517	18.6
167.10669	84.5
168.09290	5.7
169.10117	54.0
170.10863	9.1
171.08043	4.9
171.11696	36.5
172.12495	7.8
173.09651	9.8
173.13246	18.4
175.11165	6.3
179.08534	15.5
180.09297	11.4
181.10114	31.0
182.10939	21.3
183.08133	9.5
183.11673	35.3
185.09633	14.8
185.13255	12.4
186.10283	4.8
187.11188	12.2
189.12698	11.3
191.14323	12.2
192.09337	6.8
193.10133	16.7
194.10965	14.7
195.11679	35.8
196.12479	7.9
197.09641	12.7
197.13303	27.5
199.11208	25.0
205.10127	5.4
206.10872	10.0
207.11707	24.2
208.12447	8.0
209.09576	4.7
209.13274	36.4
210.13982	9.0
211.11147	12.6
211.14815	19.3
213.12753	12.4
214.10213	4.7
215.14359	7.8
217.10135	7.6
219.11708	6.9
220.12596	6.5
220.14569	13.2
221.13237	17.1
221.15227	6.0
223.11176	18.6
223.14838	16.4
225.12712	10.7
227.14366	9.7
231.11726	7.1
232.12511	10.2
233.13257	11.9
233.15367	45.8
234.16193	4.7
235.11282	5.2
235.14755	13.9
236.15652	6.0
237.16382	5.3
239.14326	6.2
245.13211	5.9
247.14775	10.4
249.12819	7.7
249.16306	4.8
251.14336	6.7
253.15901	8.5
259.14786	4.6
261.16437	10.0
265.15872	15.3
271.76160	4.6
273.18494	15.0
277.15976	9.2
281.18927	4.8
286.19266	4.5
291.17242	6.0
298.19272	18.0
299.20172	27.7
310.19406	5.9
311.19876	6.5
312.20615	8.4
319.20703	6.3
323.19986	5.5
325.21732	5.3
335.20071	13.6
337.21811	26.3
338.22525	6.0
345.22235	6.4
349.21423	8.8
350.22443	6.9
351.23059	15.1
352.23953	100.0
353.24759	9.5
363.23187	14.1
364.23953	7.8
365.24854	11.0
429.27673	6.9
434.27948	5.3
443.29205	9.8
444.30206	56.7
490.34137	16.3
564.39136	6.7
582.40741	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52969	0.5
53.03949	2.0
55.01870	1.5
55.05518	13.2
57.03443	4.1
57.07069	1.5
63.18172	0.6
65.03937	1.3
67.05508	24.3
69.07074	13.4
71.04166	1.3
71.04996	1.0
76.71188	0.6
79.05495	20.9
81.07059	23.6
83.04996	2.4
83.08625	7.3
85.06544	2.2
91.05484	18.4
93.07045	18.8
95.04965	3.3
95.08607	21.1
97.06528	3.9
97.10172	2.4
99.08086	0.7
103.05446	1.1
105.04510	0.7
105.07040	17.4
107.08595	15.6
109.06544	2.1
109.10166	10.9
111.08099	2.0
113.09643	1.0
115.05471	2.6
117.07025	9.2
119.08595	17.3
121.10159	9.9
123.08045	3.0
123.11713	3.1
125.09640	1.4
128.06224	3.6
129.07010	12.2
129.07913	1.0
130.07829	0.7
131.08574	15.3
133.10147	15.6
133.11082	1.2
135.08075	1.7
135.11694	5.4
137.09636	1.4
137.13277	1.2
141.06996	7.4
142.07780	4.2
143.08563	16.2
144.09383	1.3
145.06494	0.7
145.10124	16.0
147.08078	1.3
147.11665	7.7
147.12596	0.7
149.09621	1.7
149.13275	2.9
151.07593	0.7
153.07024	1.9
154.07787	2.0
155.08563	11.7
156.09328	2.8
157.10143	16.9
158.10941	0.7
159.08116	0.8
159.11696	12.4
161.09691	1.5
161.13298	4.4
163.11244	0.9
163.14877	1.1
165.07065	2.2
165.09161	1.0
166.07822	1.2
167.08591	7.2
167.10732	2.2
168.09425	2.9
169.10138	16.4
170.10956	2.0
171.08159	0.7
171.11700	12.0
172.12312	0.6
173.09706	1.0
173.13269	6.5
175.11201	1.0
175.14876	2.4
177.12743	0.7
178.07756	0.7
179.08607	2.4
180.09363	1.8
181.10120	10.6
182.10977	2.5
183.11697	16.2
184.12473	1.6
185.09680	1.1
185.13260	9.7
187.14867	4.0
189.16435	1.9
191.08470	0.8
191.14378	0.8
192.09488	0.6
193.10164	4.6
194.10939	1.6
195.11713	11.9
196.12541	1.4
197.13266	11.6
199.11157	0.7
199.14845	7.0
201.16415	2.2
203.18025	0.8
205.10251	2.0
206.10950	1.6
207.11687	4.9
209.13266	10.0
211.11153	0.9
211.14836	7.5
213.12775	0.7
213.16364	4.4
215.14330	1.1
215.17969	0.9
219.11803	2.5
221.13304	4.8
221.15414	1.3
222.14079	1.0
223.14807	7.5
225.12825	0.7
225.16437	4.6
227.14476	1.2
227.18076	3.2
229.15924	0.9
231.11603	1.1
233.13303	2.6
233.15405	1.2
235.14836	4.7
237.16420	5.7
239.17921	3.0
241.19591	1.0
247.14830	1.2
248.15587	1.1
249.16441	2.7
251.18109	3.2
253.19585	2.3
259.14911	1.3
261.16443	1.6
263.18091	2.4
265.19620	2.4
267.17505	0.8
267.21204	1.3
269.19131	1.1
275.17627	0.8
275.20343	1.1
277.19556	1.9
279.21149	1.0
281.18994	1.6
281.22488	1.0
283.20618	1.3
285.18964	0.6
291.21097	1.1
295.20743	1.4
295.24466	0.6
297.22052	0.7
299.20206	0.9
303.21021	1.0
305.22928	0.8
309.22159	1.4
311.20227	0.8
313.21765	0.7
321.22101	1.7
323.23666	2.1
333.22128	1.0
335.23697	1.0
337.25436	1.5
339.23273	0.9
341.24802	1.1
347.23431	1.0
349.25198	1.3
351.23233	0.9
351.27020	1.8
353.24768	1.1
363.26923	1.4
365.24551	0.9
365.28659	1.4
367.26593	0.8
373.25290	0.7
389.28146	0.9
391.30148	1.4
401.28430	1.0
405.32037	0.9
407.29501	1.4
409.30917	1.0
433.30780	1.3
461.38052	1.2
469.33032	1.0
471.36569	4.5
489.37381	15.6
507.38608	6.2
511.34442	1.5
526.37781	0.8
527.38635	1.2
545.39685	2.4
563.40900	13.1
581.42004	100.0
582.42365	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	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03507	1.9
53.03943	2.9
55.01859	3.0
55.05514	13.6
57.07061	6.1
59.04999	2.8
65.03965	2.7
67.05505	27.4
69.03430	7.6
69.07076	15.3
69.30902	14.1
69.31319	3.7
72.29762	1.9
79.05497	25.6
81.07051	32.8
82.70116	1.8
83.04987	7.0
83.08622	9.1
85.06544	2.9
91.05486	38.6
93.07041	38.6
95.04971	14.9
95.08609	31.8
97.06517	5.7
98.21613	3.4
103.05486	5.5
105.07032	64.3
107.04959	3.5
107.07887	2.1
107.08598	35.8
109.06530	11.4
109.10154	16.8
111.08078	4.2
113.09631	3.6
115.05468	5.0
115.44173	1.9
116.06220	2.5
117.07017	14.7
119.06102	2.1
119.08585	52.7
121.06525	9.9
121.10146	48.7
123.08073	15.6
123.11716	8.6
125.09609	2.4
128.06201	10.3
129.07007	12.3
130.07797	4.1
131.08572	24.4
133.06522	2.8
133.10138	50.4
135.08063	10.0
135.11719	14.2
137.09610	8.4
139.11234	4.5
141.06995	6.1
142.07779	15.5
143.08551	25.6
144.09314	7.7
145.10121	39.6
147.08069	12.6
147.11717	13.5
149.09654	17.3
149.13286	4.1
151.07570	10.5
151.11227	2.4
153.06972	2.2
154.07726	2.4
155.08546	12.2
155.10617	2.5
156.09364	11.7
157.10144	33.5
158.10898	5.0
159.08092	6.9
159.11690	21.9
161.09633	6.6
161.13304	5.9
163.03932	5.5
163.11211	10.1
165.07024	4.2
165.09125	19.6
166.07761	2.4
167.08519	6.0
167.10675	33.9
168.09328	5.7
169.10121	17.4
170.10925	7.6
171.11713	19.5
172.08861	2.6
172.12518	2.1
173.09613	5.9
173.13243	19.4
175.11270	3.9
175.14877	8.8
177.12784	3.1
178.07761	2.8
178.14906	1.9
179.08598	8.0
180.09352	3.9
181.02625	1.9
181.10149	11.0
181.12248	7.4
182.10939	8.3
183.11708	16.0
185.09576	3.8
185.13258	15.2
187.11205	3.5
187.14861	13.5
189.12756	5.0
191.08569	2.9
191.10732	2.5
191.14232	3.2
192.09337	3.0
193.10115	10.5
194.10892	6.3
195.11722	13.5
195.13608	3.2
196.12483	5.1
197.09612	2.4
197.13206	14.6
199.11229	4.6
199.14890	7.9
201.12819	2.7
201.16446	3.4
203.14322	7.4
205.10237	2.9
205.15881	2.3
206.10922	4.7
207.11769	10.0
207.13768	6.4
208.12488	3.9
209.13289	14.3
209.15018	2.6
210.14163	2.3
211.11110	3.1
211.14783	10.7
213.12920	3.5
213.16299	5.4
215.14302	4.0
217.10118	3.3
217.15970	3.1
219.11768	6.2
220.12506	3.7
221.13271	13.1
221.15427	40.6
222.14084	3.9
223.14877	9.2
225.12675	4.4
225.16435	4.0
227.14401	2.7
229.10326	3.0
231.11629	4.7
232.12454	4.3
233.13220	6.8
233.15422	17.7
234.14090	2.9
235.14925	7.5
237.12727	2.3
237.16434	7.2
239.17995	4.7
241.19568	2.1
243.11781	4.7
244.12456	2.8
245.13316	7.2
246.14148	3.9
247.14847	5.2
247.17055	2.7
248.15614	3.3
249.12709	2.2
249.16469	5.5
251.14287	3.7
251.17892	4.2
257.13324	4.2
258.13812	2.6
259.14801	7.0
261.13007	2.5
261.16385	5.6
263.17984	4.2
269.19000	2.5
271.14719	3.3
273.16232	3.9
283.14966	4.1
287.17508	3.5
287.20343	3.7
289.15936	2.5
289.19427	3.0
303.20908	3.8
305.18982	2.6
311.20258	3.1
312.20972	7.4
329.23062	2.3
345.22064	2.3
347.23776	3.6
353.26730	3.6
355.23914	3.1
359.23785	2.7
371.23648	2.9
373.25247	5.8
393.24423	2.5
401.28558	2.4
479.32220	2.1
507.32428	2.5
525.33472	2.7
545.38037	4.4
563.38599	16.2
581.39935	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	581.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.05516	28.5
57.03439	8.2
57.07076	9.6
59.99098	3.2
64.17998	2.9
66.04742	3.3
67.05508	88.2
69.03434	4.5
69.07077	32.2
70.64478	9.6
71.05007	5.8
71.08617	6.2
78.38433	3.3
79.05508	36.6
80.52404	3.6
81.03437	4.4
81.07067	100.0
83.08629	26.5
85.10181	4.6
91.05473	38.5
93.05488	6.4
93.07053	41.8
95.05004	5.5
95.08615	75.7
97.02876	4.1
97.06548	8.5
97.10167	13.8
98.67653	3.2
99.04463	3.6
99.08069	4.3
105.07042	30.6
107.08598	34.2
109.02895	6.4
109.06583	3.8
109.10171	47.9
111.04472	4.4
117.07025	4.7
119.08568	26.6
121.10152	35.2
123.08123	6.4
123.11683	23.3
131.08603	8.7
133.10136	36.0
135.11739	24.0
137.09596	4.6
137.13283	6.3
139.11153	4.5
141.07069	4.4
143.08611	4.8
145.10172	12.6
147.08055	5.5
147.11667	17.0
149.13284	13.7
151.14845	9.5
153.12764	4.2
157.10114	7.9
159.11697	5.9
161.13303	19.5
163.14854	11.0
165.12704	4.3
165.16440	9.2
167.10733	4.5
169.10158	5.2
171.11717	9.7
173.13277	5.8
175.14885	16.8
177.16402	4.4
179.17911	8.5
183.11713	4.4
185.13266	4.5
189.16415	9.1
191.00143	4.1
194.24326	3.4
196.08646	3.2
207.11658	4.1
211.14769	3.4
221.15314	6.9
223.14891	3.4
234.70293	4.1
245.22673	70.9
263.23709	98.0
263.26550	4.7
337.27350	33.4
355.28168	5.4
563.29456	5.9
563.38690	5.0
581.20172	6.6
581.40283	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	581.186
Annotation	10-Hydroxycascaroside C
Peak:m/z	Relative Intensity
60.59643	6.0
67.05498	9.3
70.06597	16.6
70.31335	6.7
70.47695	23.6
72.08162	8.2
74.47896	6.1
79.05490	8.2
80.17485	6.1
85.02896	21.8
91.05467	6.5
93.03391	8.8
100.61356	5.9
103.05462	8.3
105.07047	13.6
107.04940	19.5
109.02884	12.1
115.11797	6.0
121.02866	24.8
122.06001	13.9
123.04453	8.2
123.08702	5.7
131.04927	33.2
133.06512	12.2
135.04381	14.0
147.04443	11.5
161.05983	25.8
163.03857	16.4
164.07079	7.0
167.07088	7.6
173.06023	9.9
177.01807	21.5
177.05481	12.8
181.04953	6.5
189.01817	29.2
191.03389	8.2
193.08675	9.7
195.02872	31.2
203.03424	13.2
207.02803	42.3
215.03375	21.4
219.02904	100.0
221.00826	10.6
225.03853	14.8
225.10260	7.5
229.04964	18.9
231.02861	38.5
233.04512	15.0
237.03911	14.0
239.11732	9.2
241.09569	6.4
243.02948	25.7
243.06602	9.1
249.04044	12.4
253.09688	9.3
257.04459	25.0
261.03882	67.1
267.11365	12.9
269.04724	9.8
273.03912	39.7
281.04770	6.9
281.08081	30.5
285.04037	37.1
287.05536	36.8
291.04956	8.6
293.08096	26.8
295.10800	11.9
299.05511	13.2
303.05072	19.1
311.09119	35.6
313.11880	57.9
313.93848	7.3
323.09174	60.3
327.04987	24.9
335.09238	37.0
341.10977	17.9
342.11856	10.5
345.06036	11.0
347.09158	16.5
363.07156	8.2
365.10107	49.4
369.23312	6.6
373.14014	54.6
377.10074	30.1
387.07056	7.4
389.10172	33.1
395.11270	17.0
405.08011	11.6
407.11301	16.8
413.12595	32.5
425.12192	17.9
431.11298	45.7
443.13077	20.7
449.11829	17.8
461.12164	8.9
467.13583	20.1
473.12338	10.5
479.13760	12.7
509.14563	13.5
521.17328	8.8
527.15527	12.7
531.15387	6.9
548.42188	7.8
549.17377	41.4
581.19611	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01896	3.9
55.05515	20.1
57.03438	10.9
57.07065	4.4
67.05171	4.5
67.05508	61.4
69.07085	29.1
71.04959	3.7
79.05501	38.4
81.06635	6.4
81.07066	67.9
83.04960	3.4
83.08611	17.3
88.80898	3.7
90.71523	3.6
91.05486	21.4
93.07040	54.6
95.04976	10.1
95.08614	71.8
95.57625	3.5
97.02932	4.4
97.06528	8.7
97.10177	5.5
99.04478	4.5
105.07040	19.5
107.04933	7.5
107.08610	34.3
109.10174	19.1
117.07024	11.3
119.08602	12.1
121.06515	8.6
121.10170	19.0
123.11681	3.6
123.74760	3.6
131.08568	5.2
133.10155	5.7
135.08015	5.9
135.11696	50.1
145.10136	24.8
163.11198	55.0
181.12248	7.0
223.42088	3.7
227.12830	94.7
283.15411	69.9
325.25528	4.0
337.27405	100.0
530.39178	6.4
543.61304	4.0
545.38483	66.6
548.39551	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	580.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01880	2.2
55.05516	23.5
57.03442	11.5
67.05508	49.8
69.07078	19.5
71.04970	2.3
71.08606	7.1
72.00044	2.7
75.07111	2.0
79.05495	30.5
80.05856	2.4
81.03408	4.1
81.07059	54.5
82.07382	2.9
83.08601	12.7
85.06557	3.1
89.33228	2.5
91.05479	19.2
93.07043	41.9
94.07353	3.3
95.04977	6.9
95.08609	54.1
96.06992	2.5
97.06517	4.9
97.10181	6.6
105.07023	15.1
107.04947	5.5
107.08592	21.5
109.10165	17.1
116.02776	2.6
117.06990	5.6
119.08578	13.3
121.06484	2.5
121.10146	12.5
123.08070	2.2
123.11720	3.6
131.08521	2.8
133.10132	6.3
135.08018	2.7
135.11690	27.0
145.10133	19.7
147.11671	4.2
161.13194	3.2
163.11168	28.8
171.89941	2.5
181.12187	3.6
183.11798	2.3
213.01259	2.6
227.12791	49.8
233.64207	2.4
283.15405	36.7
337.27371	100.0
338.27728	3.4
378.73886	3.2
530.39069	9.8
545.38330	61.9
548.40106	5.5
580.38794	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	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.3
55.01882	1.8
55.05513	3.3
56.05038	5.7
57.03453	3.2
57.07076	1.0
58.02972	0.7
58.06595	0.6
60.04530	100.0
61.02937	1.7
62.06092	0.7
65.03949	0.6
67.05168	0.8
67.05508	10.5
68.05046	1.1
68.99788	1.2
69.03432	13.5
69.03812	0.7
69.07076	3.7
69.69187	2.4
70.06599	1.4
71.04996	2.1
72.04531	4.0
73.02917	1.3
74.06088	4.5
79.05497	5.5
80.05022	1.9
81.03423	11.6
81.07060	11.7
81.07513	0.7
82.06585	2.3
83.04999	1.1
84.04516	1.8
84.08126	0.5
85.02911	19.2
86.06065	2.4
87.00832	6.6
87.04473	0.7
88.07605	0.5
90.05588	1.3
91.05493	4.9
91.30974	0.5
93.07055	6.0
94.06586	2.5
95.04979	1.6
95.08611	8.3
96.08150	1.4
97.02909	6.8
97.06563	0.6
97.10196	1.3
98.06078	1.2
99.04472	3.6
99.08130	0.5
100.07660	0.6
101.02338	0.5
102.05529	2.2
103.03954	0.9
104.07119	2.9
105.01884	2.9
105.07018	2.5
107.08609	3.5
109.02885	9.3
109.03579	0.7
109.10170	3.8
111.04452	0.5
112.07626	0.6
115.03955	0.6
116.07129	0.8
117.01858	0.5
117.07040	0.7
119.08593	2.4
120.08163	0.9
120.42969	0.4
121.10135	3.0
123.11729	1.6
126.05552	0.6
127.03915	12.6
127.04797	0.8
129.01878	1.8
131.04950	0.6
131.08559	1.1
133.10170	2.1
134.06027	0.5
135.04492	0.5
135.11676	2.4
136.11238	0.5
138.09273	0.5
144.75305	0.5
147.02965	0.7
147.11674	0.7
149.13266	1.1
150.05630	0.5
159.02910	2.9
161.13338	0.6
162.12914	0.6
163.03874	0.6
163.14949	0.5
168.06673	0.6
168.16042	0.5
172.74553	0.5
173.13313	0.6
187.06021	0.6
194.89740	0.5
206.10411	0.5
217.19565	0.6
231.05011	1.8
248.23848	1.0
260.23734	2.9
261.22238	0.7
266.24918	0.7
274.09143	1.1
278.21817	1.0
278.24750	7.4
278.27548	0.8
296.25882	10.1
296.29025	0.8
310.11325	2.7
314.26889	25.4
320.25934	0.5
332.27966	72.7
333.28281	0.9
338.26712	0.7
356.28024	1.2
362.94327	0.5
370.82928	0.6
374.29068	4.3
482.31070	0.7
494.33160	1.5
500.31918	0.9
508.28970	0.9
518.33417	1.2
526.30011	1.4
536.34332	6.8
544.30804	1.0
562.32098	5.5
580.33301	70.6
581.33612	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	579.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
54.11594	3.7
55.01873	6.1
55.05519	28.0
57.03435	8.0
57.07071	5.4
59.70295	3.0
65.03930	5.2
65.88676	3.1
67.05172	5.7
67.05511	88.9
68.08863	2.7
69.03434	5.8
69.07071	24.1
71.04999	6.7
71.59862	3.4
77.07422	2.6
78.71917	2.9
79.05067	4.3
79.05502	64.0
81.03406	11.5
81.07066	100.0
83.04990	15.6
83.08632	17.6
85.06556	4.1
89.06016	5.3
91.05482	40.0
93.06482	4.0
93.07056	68.8
95.04991	18.5
95.08051	5.4
95.08612	64.2
97.06517	13.0
97.10171	13.5
105.07040	39.7
107.04960	15.9
107.08600	43.4
107.86325	3.0
109.10165	35.5
111.04437	13.6
111.08074	6.0
117.07047	15.2
119.08583	26.6
121.06512	5.5
121.09412	4.4
121.10161	42.2
123.08105	7.6
123.11716	9.9
125.05994	4.0
125.09623	12.4
131.08580	31.6
133.10159	17.7
135.08051	4.5
135.11720	27.1
139.11142	5.1
143.08572	5.7
145.10132	26.2
147.11705	15.8
149.09639	7.0
149.13275	7.5
153.12737	6.1
155.08575	5.4
157.10118	5.5
159.11697	9.9
161.13251	7.6
163.11200	23.1
163.14804	4.3
169.10158	4.5
171.11676	7.1
173.09621	8.3
173.11855	4.1
173.13309	8.7
179.37022	2.9
181.10277	3.8
181.12257	12.1
185.13205	4.6
187.14861	5.5
189.12744	4.1
191.10736	10.4
191.14333	3.9
193.12228	4.3
209.11722	10.8
211.13319	5.2
212.31282	3.1
217.16086	3.4
227.12720	15.6
227.20076	9.7
228.20399	4.6
229.14363	7.5
235.11525	3.3
245.13913	6.1
259.20416	3.3
261.22086	17.8
265.14441	13.6
277.21695	4.7
279.23309	5.7
283.15393	24.0
297.22086	3.6
301.16437	19.8
317.24689	5.8
335.25775	23.2
352.08356	3.4
451.31903	6.8
469.33301	6.3
487.34479	4.9
489.35089	4.5
525.35620	5.0
543.36957	20.0
561.37970	20.5
579.38788	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	579.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
54.11594	3.7
55.01873	6.1
55.05519	28.0
57.03435	8.0
57.07071	5.4
59.70295	3.0
65.03930	5.2
65.88676	3.1
67.05172	5.7
67.05511	88.9
68.08863	2.7
69.03434	5.8
69.07071	24.1
71.04999	6.7
71.59862	3.4
77.07422	2.6
78.71917	2.9
79.05067	4.3
79.05502	64.0
81.03406	11.5
81.07066	100.0
83.04990	15.6
83.08632	17.6
85.06556	4.1
89.06016	5.3
91.05482	40.0
93.06482	4.0
93.07056	68.8
95.04991	18.5
95.08051	5.4
95.08612	64.2
97.06517	13.0
97.10171	13.5
105.07040	39.7
107.04960	15.9
107.08600	43.4
107.86325	3.0
109.10165	35.5
111.04437	13.6
111.08074	6.0
117.07047	15.2
119.08583	26.6
121.06512	5.5
121.09412	4.4
121.10161	42.2
123.08105	7.6
123.11716	9.9
125.05994	4.0
125.09623	12.4
131.08580	31.6
133.10159	17.7
135.08051	4.5
135.11720	27.1
139.11142	5.1
143.08572	5.7
145.10132	26.2
147.11705	15.8
149.09639	7.0
149.13275	7.5
153.12737	6.1
155.08575	5.4
157.10118	5.5
159.11697	9.9
161.13251	7.6
163.11200	23.1
163.14804	4.3
169.10158	4.5
171.11676	7.1
173.09621	8.3
173.11855	4.1
173.13309	8.7
179.37022	2.9
181.10277	3.8
181.12257	12.1
185.13205	4.6
187.14861	5.5
189.12744	4.1
191.10736	10.4
191.14333	3.9
193.12228	4.3
209.11722	10.8
211.13319	5.2
212.31282	3.1
217.16086	3.4
227.12720	15.6
227.20076	9.7
228.20399	4.6
229.14363	7.5
235.11525	3.3
245.13913	6.1
259.20416	3.3
261.22086	17.8
265.14441	13.6
277.21695	4.7
279.23309	5.7
283.15393	24.0
297.22086	3.6
301.16437	19.8
317.24689	5.8
335.25775	23.2
352.08356	3.4
451.31903	6.8
469.33301	6.3
487.34479	4.9
489.35089	4.5
525.35620	5.0
543.36957	20.0
561.37970	20.5
579.38788	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	579.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01866	4.4
55.05514	9.5
57.02274	1.2
57.03437	3.6
57.07072	4.0
63.32557	1.3
65.03952	2.0
67.05511	61.2
67.05875	3.0
69.03432	4.5
69.07080	7.9
69.76222	2.0
69.76535	8.5
71.04986	2.8
73.02911	3.5
79.05502	33.3
79.35426	1.3
81.03429	7.0
81.07066	66.7
83.04981	3.7
83.08616	6.8
85.02912	4.2
85.06568	1.3
91.05486	20.4
93.07053	50.7
95.04976	3.3
95.08615	53.1
97.02905	2.3
97.06554	3.4
97.10181	4.2
98.04990	1.3
98.21469	2.6
99.04475	2.2
99.08137	1.9
105.07031	19.5
107.08603	33.1
109.02882	10.8
109.06519	2.2
109.09454	2.2
109.10166	27.7
110.03673	3.8
111.04450	3.2
113.09647	1.9
117.07016	8.3
119.08602	15.4
121.10158	28.0
123.08075	1.5
123.11707	16.5
127.03918	3.3
129.07025	1.8
131.08578	19.2
133.10161	15.3
135.11703	22.1
137.09567	1.4
137.13248	6.1
139.11221	1.9
143.08569	1.6
145.10135	17.4
147.11681	9.8
149.13272	17.3
151.14859	2.3
159.11690	16.0
161.13261	7.1
163.11192	1.5
163.14841	11.7
171.11697	1.3
173.13274	15.6
175.14854	3.5
177.12819	1.5
177.16405	4.4
179.14185	2.2
187.14796	10.1
189.16429	1.3
191.00125	4.1
201.16440	2.5
205.15842	2.3
219.17557	1.6
226.10909	1.3
233.22525	2.2
241.19330	1.6
243.21092	26.7
261.22156	100.0
263.23654	1.7
279.23236	2.2
303.23053	1.4
317.24832	2.0
335.25797	13.1
337.27161	1.5
353.26895	74.6
369.24335	2.4
377.26682	1.3
416.47055	1.3
433.20480	1.7
443.28156	1.9
451.21320	2.6
487.23624	1.5
516.20001	1.4
561.27618	5.8
579.29761	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	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
54.39333	0.3
55.01869	0.9
60.04519	0.5
65.03924	0.9
67.05493	0.6
69.03423	1.6
69.03768	0.3
69.53899	2.4
71.04961	0.5
78.04717	2.4
79.05494	1.3
81.03407	1.0
85.02914	2.3
91.05460	1.6
93.03417	0.5
95.04980	0.7
97.02882	1.4
97.06509	0.6
103.05456	1.3
105.07029	0.7
106.04166	1.5
107.04915	0.8
108.52367	0.4
110.03645	0.4
111.04449	0.4
115.05470	3.1
117.07037	6.2
119.08559	0.4
123.04440	6.1
124.05245	2.2
127.05442	0.5
134.03629	0.3
135.04436	0.4
137.06007	0.4
138.03069	0.4
142.02658	0.5
143.04947	0.5
144.95888	0.4
145.06494	9.3
145.07634	0.5
146.06007	3.6
147.08054	0.5
148.07655	0.4
149.74841	0.3
151.03934	1.0
152.04704	1.6
155.04999	0.4
155.06055	3.6
163.03911	0.7
167.07053	100.0
168.07420	0.8
171.06502	1.0
173.05997	19.7
175.07535	0.8
181.04977	24.1
201.05545	0.6
205.08633	3.7
233.08128	6.1
235.09679	4.0
249.50754	0.4
271.06033	1.3
387.14426	17.5
396.04074	0.3
417.15442	11.7
569.10590	0.4
579.20764	43.5
580.21216	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	579.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01848	0.4
61.02915	0.5
65.03948	1.2
67.05480	0.5
68.71888	0.3
69.03433	1.8
69.44148	1.7
69.44573	0.5
78.04715	1.8
78.73732	0.3
79.05479	0.6
81.03413	0.7
82.04153	0.3
85.02919	2.2
85.32444	0.2
91.05475	0.6
93.03384	0.3
95.04950	0.9
96.05747	0.4
97.02881	1.2
97.06532	0.3
100.84179	0.2
103.05450	1.4
105.03402	0.2
106.04189	1.4
107.04962	1.8
108.02038	0.3
109.02864	0.3
110.03648	0.6
111.04453	0.3
115.05441	2.6
117.07022	5.9
119.08583	0.5
123.04436	5.7
124.05214	2.1
125.05994	0.5
127.03909	0.5
127.05433	0.9
128.89812	0.3
131.04886	0.3
134.03574	0.3
137.05901	0.4
138.03111	0.5
142.02621	0.4
143.04909	0.4
144.05713	0.3
145.06494	10.7
147.08044	0.3
151.03908	1.0
152.04662	1.3
155.04980	0.5
155.06059	3.2
161.05957	0.6
167.07045	100.0
168.07388	0.7
171.06557	1.2
173.05992	19.1
173.79135	0.3
175.07556	0.7
181.04965	21.0
201.05482	0.7
205.08615	3.4
233.08090	5.0
235.09631	4.1
276.49713	0.3
276.57526	0.2
280.07458	0.3
324.86560	0.4
355.11905	0.3
387.14386	16.8
388.14914	0.3
417.15454	10.8
579.20734	45.5
580.21118	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	579.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62556	1.4
53.50077	1.6
59.53002	1.3
69.03463	1.5
77.18385	1.6
81.84430	1.9
97.02867	2.2
118.06544	7.7
127.03922	100.0
132.08101	1.8
144.08093	6.4
146.05995	27.3
146.07085	2.3
159.09138	3.4
188.07071	46.7
189.07501	1.8
205.09741	17.8
407.42221	2.0
527.19507	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	578.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34990	2.2
53.03934	7.4
55.01867	7.3
55.05517	13.9
57.03451	5.3
57.07074	5.1
67.05174	4.4
67.05511	76.7
68.99793	2.2
69.03442	14.8
69.07077	16.5
70.99016	4.8
71.04990	6.4
73.02908	2.4
77.37270	2.2
79.05058	3.7
79.05499	57.0
81.03434	19.1
81.06570	4.9
81.07064	100.0
83.04982	6.7
83.08622	7.3
85.02915	34.1
85.06531	4.0
87.00829	17.2
91.05496	25.5
93.07058	58.8
95.04965	7.7
95.08609	74.9
97.02901	12.7
97.06551	5.7
97.10191	6.0
98.09709	8.3
99.04449	5.6
99.08092	3.8
103.82471	2.1
105.01857	13.5
105.07051	20.6
107.04979	3.7
107.08601	34.0
108.65886	2.5
109.02901	12.2
109.06551	5.6
109.10172	35.4
111.08092	3.8
111.11729	4.0
115.03931	2.2
117.07006	6.6
119.08597	20.0
120.08054	2.8
121.06515	4.5
121.10152	35.5
123.08103	4.6
123.11714	26.9
125.06008	11.1
127.03915	18.9
129.07018	5.4
131.08578	9.4
133.10152	21.4
135.08064	3.6
135.11713	23.8
137.13268	19.3
139.07574	6.1
141.06940	2.4
143.07030	4.1
143.08546	3.3
145.04985	6.2
145.10114	8.9
147.11710	15.7
148.07552	5.4
149.09555	2.6
149.13287	18.1
151.14835	7.2
153.09142	4.1
156.77228	2.1
157.10152	3.3
159.02925	5.4
159.11725	4.0
161.13277	11.2
163.14822	9.8
165.09145	2.4
167.10754	2.9
171.08064	2.7
171.11650	5.7
173.13271	6.4
175.14862	7.9
177.12788	2.6
177.16370	3.8
179.10690	5.4
181.12303	5.1
185.13275	3.5
193.12311	6.9
195.13881	3.4
196.07353	9.5
203.14410	2.7
207.13797	4.4
215.18138	2.5
217.16010	2.5
217.19530	39.2
221.15353	5.2
227.07417	2.4
231.21106	3.6
235.20583	8.1
241.19534	10.3
259.20694	15.5
269.17532	2.5
277.21664	49.2
278.21585	3.2
280.62399	2.5
283.10797	2.9
292.13055	4.8
295.10858	2.8
295.22678	54.2
339.09836	5.6
385.23862	4.7
403.24997	3.6
457.65463	2.3
462.22305	3.3
480.23672	7.0
489.24905	4.5
548.71472	2.7
560.30078	3.1
578.30963	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	578.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72799	0.9
55.01862	1.2
55.05510	4.1
56.05036	4.8
57.03436	1.6
60.04532	100.0
65.03941	1.0
67.05508	10.2
68.05031	1.1
68.99780	0.9
69.03435	13.3
69.07066	5.7
69.45730	5.3
70.06602	1.2
71.04998	1.0
72.04523	3.6
74.06091	2.4
79.05502	8.6
80.05033	0.9
81.03419	1.7
81.07066	11.1
82.06586	2.5
83.08633	1.9
85.02901	2.2
87.00822	2.2
90.05540	1.6
91.05488	6.7
93.07058	9.1
94.06577	1.7
95.04981	1.1
95.08619	9.9
97.02905	28.4
98.20789	2.0
101.02443	1.0
105.01888	1.5
105.07047	3.0
105.74424	0.9
107.08611	3.7
109.10167	5.6
115.03915	1.6
119.04977	5.0
119.08591	2.0
120.08141	1.9
121.10172	4.1
123.11715	1.1
125.02388	3.2
131.04964	1.2
133.10139	2.5
135.11674	3.0
143.03436	1.9
145.02856	1.2
145.10147	0.9
147.04427	25.6
147.11652	0.9
148.07607	4.1
149.13307	1.4
153.01837	5.5
161.13309	1.1
163.03935	1.5
171.02930	1.0
199.86995	1.0
205.65569	0.9
237.10304	1.3
251.03963	0.8
260.23776	1.4
265.09961	1.4
271.06042	95.5
278.24780	10.3
296.25864	14.7
299.05539	2.1
312.25302	1.0
314.26913	53.1
327.09750	1.5
332.24167	1.9
332.27942	16.5
339.09784	4.1
342.26361	1.3
346.14609	0.9
360.27509	5.2
474.16473	1.2
516.31366	1.1
534.32880	6.1
542.29492	1.0
560.30719	4.8
578.31818	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.82201	0.6
55.01862	2.8
55.05496	2.0
56.58441	0.6
57.03432	0.8
57.07043	0.9
67.05495	3.1
69.03416	2.5
69.07067	1.9
69.85365	3.6
73.02927	0.8
79.05495	3.6
81.03419	3.3
81.07063	12.0
83.04951	0.9
83.08600	1.0
85.02917	4.9
87.00815	2.7
91.05477	1.1
93.07053	3.3
95.08595	3.0
97.02915	3.3
98.09708	3.5
99.04484	1.7
105.01853	1.9
105.07031	2.1
107.08585	3.1
108.08120	1.3
109.02865	3.0
109.06510	6.1
109.10150	1.7
111.04452	10.4
119.08567	2.2
120.08133	3.5
121.10143	2.6
122.05980	2.5
123.08025	0.8
123.11734	1.0
125.06028	2.5
127.03928	4.0
131.08536	1.2
133.10133	1.5
135.08000	1.2
135.11674	1.9
136.07576	1.5
137.05983	69.3
137.13219	1.7
138.06261	1.0
138.09161	0.7
143.08395	0.8
145.04941	1.6
147.08064	1.5
147.11728	4.2
148.07573	8.2
149.07898	1.3
149.09637	1.6
150.09163	1.6
151.07538	2.1
151.11166	1.1
152.07079	3.3
157.10146	1.1
157.63492	0.7
159.02910	1.9
161.09666	3.6
161.13258	1.8
163.11162	2.0
163.14897	0.8
166.08699	0.8
167.10742	0.8
172.03995	1.8
175.11180	2.4
175.14844	1.3
179.10693	1.6
189.12776	1.0
190.05016	2.4
193.12251	1.7
196.07350	2.0
203.17975	5.1
213.16362	1.9
221.18887	0.9
223.12411	0.7
225.10391	1.2
226.11159	0.8
231.17474	5.8
234.26291	0.7
237.10176	1.5
238.10956	1.6
239.11731	1.9
241.15820	1.0
249.10172	1.3
249.18512	4.8
250.10783	1.2
251.11716	2.3
252.08649	1.0
252.12302	1.1
253.13223	0.9
263.11749	1.6
264.12100	1.4
265.12848	0.7
266.10535	1.3
266.13333	0.8
267.11292	4.7
268.11639	1.9
277.17996	100.0
279.11304	4.8
280.11633	3.3
281.12619	0.9
282.13199	1.0
285.12296	5.2
291.11310	1.1
293.12109	1.1
294.13144	0.9
295.14301	1.5
295.19046	28.0
297.12320	3.8
307.10718	1.0
321.11801	0.7
322.12772	1.1
325.11905	1.1
327.13327	4.3
337.11707	1.7
338.12119	3.4
339.12756	3.2
371.12314	0.7
450.20126	0.7
462.22592	1.8
474.19968	2.1
475.20383	2.3
480.23318	2.2
490.23270	0.8
492.21036	2.9
519.19543	1.2
534.22327	5.0
536.20349	1.5
578.21326	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	578.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24134	0.3
53.03936	0.5
54.03468	0.3
55.01855	0.5
60.04519	0.8
62.06098	2.8
65.03945	0.8
65.28011	0.3
66.38472	0.4
67.05506	1.7
69.43788	1.6
69.44219	1.1
70.06590	0.6
79.05491	6.5
80.05020	1.9
81.03401	0.4
81.07033	1.1
86.06065	0.4
86.38278	0.3
87.04460	0.9
87.80460	0.3
89.03904	0.4
91.05486	4.3
91.89391	0.3
92.05005	0.5
93.05784	1.0
93.07047	6.9
94.06587	2.5
95.04998	1.9
95.07349	0.5
95.08608	0.9
96.08131	0.9
103.05471	7.1
104.04969	0.3
105.04519	0.5
105.05765	1.4
105.06966	0.3
107.08603	0.3
108.08117	4.7
109.02840	0.4
110.01335	0.3
110.06045	0.8
110.09667	1.2
113.57453	0.3
118.06551	3.4
119.07317	2.2
119.08576	0.6
120.04505	0.5
120.08112	31.6
121.06531	0.3
122.06044	3.9
123.04443	0.7
134.06035	0.4
135.04388	0.9
136.07582	8.8
137.08182	0.3
138.05460	0.8
138.09169	2.1
146.06017	1.6
147.04398	0.9
148.07576	75.4
149.07895	1.0
160.52727	0.4
162.27730	0.3
163.03877	1.8
164.07104	1.6
165.07057	0.4
166.08652	4.8
168.08110	0.5
168.78917	0.3
172.07645	0.4
174.05511	1.0
180.08142	0.4
180.10176	0.4
192.08124	0.5
193.07748	0.3
195.09088	0.5
196.09995	0.4
197.10739	0.6
198.07953	0.6
199.08678	1.4
206.08295	0.6
207.09189	1.0
208.09665	2.3
209.10765	2.2
210.07880	1.1
211.08670	2.8
212.09497	1.0
213.10330	1.8
219.09221	1.4
221.10738	0.8
222.07664	2.8
223.08652	4.7
224.09381	3.1
225.10223	5.4
227.08160	0.9
227.11766	1.0
234.07758	0.5
235.08675	2.4
236.09557	0.9
237.06563	0.7
237.10229	24.2
238.07378	1.1
238.10902	2.3
239.08115	3.1
239.11784	4.6
240.08891	0.5
241.09732	4.1
247.08739	2.0
248.09491	0.7
249.10204	1.9
250.07230	1.8
251.08167	5.7
251.10838	0.5
251.11824	0.5
252.08694	16.2
253.09740	9.6
254.07954	0.5
255.07550	0.4
255.11395	2.1
263.08130	1.1
264.09000	1.6
265.09726	41.3
266.07968	1.1
266.10529	4.3
267.08356	0.7
267.11307	7.3
268.08398	0.6
269.09338	1.6
275.08234	0.5
277.09677	2.2
278.07019	0.6
279.07687	1.9
279.11322	1.2
280.08517	1.4
281.09222	20.0
282.10028	0.5
283.08185	0.6
283.10812	9.4
284.09262	1.1
293.09216	28.8
294.10034	1.7
294.24258	0.8
295.10773	18.3
297.08719	0.8
299.10321	1.5
301.11826	1.7
302.12936	0.4
307.10754	1.5
308.02112	0.4
309.08722	2.3
309.12164	0.7
311.10300	22.6
312.25314	5.1
313.11896	1.3
314.12903	0.8
315.09665	1.0
315.13681	0.5
316.14362	0.6
321.04904	0.4
321.08731	12.9
327.09760	31.5
328.10181	0.7
329.11496	0.5
330.15964	0.8
330.26401	1.2
335.10251	0.5
339.09763	100.0
340.10153	2.6
342.12378	1.1
343.13196	0.8
344.13901	1.1
353.11417	3.7
355.13397	0.4
356.13989	1.2
357.10706	0.5
357.14651	1.2
358.15424	1.7
359.16626	0.4
369.11087	0.4
370.12509	1.1
371.12827	0.6
372.13199	0.6
372.17291	0.8
381.10675	0.5
384.13498	1.1
385.14291	2.1
386.15091	0.7
398.12354	1.4
399.06274	0.3
400.16483	2.8
402.18054	0.7
413.13535	0.5
416.13126	0.5
418.17798	1.2
428.16165	2.5
430.17758	2.1
431.15433	0.6
446.17160	7.1
448.18906	0.5
456.15460	0.8
459.66766	0.3
460.18506	0.7
464.18326	0.9
474.16629	25.7
475.16953	0.7
478.19797	0.3
488.18253	1.3
490.19989	0.8
491.11880	0.9
492.17700	7.8
506.19226	2.3
516.18140	0.4
532.17175	1.8
534.18726	13.9
550.18182	3.0
560.16986	2.3
578.17627	22.1
578.99408	0.4
579.18042	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	578.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24134	0.3
53.03936	0.5
54.03468	0.3
55.01855	0.5
60.04519	0.8
62.06098	2.8
65.03945	0.8
65.28011	0.3
66.38472	0.4
67.05506	1.7
69.43788	1.6
69.44219	1.1
70.06590	0.6
79.05491	6.5
80.05020	1.9
81.03401	0.4
81.07033	1.1
86.06065	0.4
86.38278	0.3
87.04460	0.9
87.80460	0.3
89.03904	0.4
91.05486	4.3
91.89391	0.3
92.05005	0.5
93.05784	1.0
93.07047	6.9
94.06587	2.5
95.04998	1.9
95.07349	0.5
95.08608	0.9
96.08131	0.9
103.05471	7.1
104.04969	0.3
105.04519	0.5
105.05765	1.4
105.06966	0.3
107.08603	0.3
108.08117	4.7
109.02840	0.4
110.01335	0.3
110.06045	0.8
110.09667	1.2
113.57453	0.3
118.06551	3.4
119.07317	2.2
119.08576	0.6
120.04505	0.5
120.08112	31.6
121.06531	0.3
122.06044	3.9
123.04443	0.7
134.06035	0.4
135.04388	0.9
136.07582	8.8
137.08182	0.3
138.05460	0.8
138.09169	2.1
146.06017	1.6
147.04398	0.9
148.07576	75.4
149.07895	1.0
160.52727	0.4
162.27730	0.3
163.03877	1.8
164.07104	1.6
165.07057	0.4
166.08652	4.8
168.08110	0.5
168.78917	0.3
172.07645	0.4
174.05511	1.0
180.08142	0.4
180.10176	0.4
192.08124	0.5
193.07748	0.3
195.09088	0.5
196.09995	0.4
197.10739	0.6
198.07953	0.6
199.08678	1.4
206.08295	0.6
207.09189	1.0
208.09665	2.3
209.10765	2.2
210.07880	1.1
211.08670	2.8
212.09497	1.0
213.10330	1.8
219.09221	1.4
221.10738	0.8
222.07664	2.8
223.08652	4.7
224.09381	3.1
225.10223	5.4
227.08160	0.9
227.11766	1.0
234.07758	0.5
235.08675	2.4
236.09557	0.9
237.06563	0.7
237.10229	24.2
238.07378	1.1
238.10902	2.3
239.08115	3.1
239.11784	4.6
240.08891	0.5
241.09732	4.1
247.08739	2.0
248.09491	0.7
249.10204	1.9
250.07230	1.8
251.08167	5.7
251.10838	0.5
251.11824	0.5
252.08694	16.2
253.09740	9.6
254.07954	0.5
255.07550	0.4
255.11395	2.1
263.08130	1.1
264.09000	1.6
265.09726	41.3
266.07968	1.1
266.10529	4.3
267.08356	0.7
267.11307	7.3
268.08398	0.6
269.09338	1.6
275.08234	0.5
277.09677	2.2
278.07019	0.6
279.07687	1.9
279.11322	1.2
280.08517	1.4
281.09222	20.0
282.10028	0.5
283.08185	0.6
283.10812	9.4
284.09262	1.1
293.09216	28.8
294.10034	1.7
294.24258	0.8
295.10773	18.3
297.08719	0.8
299.10321	1.5
301.11826	1.7
302.12936	0.4
307.10754	1.5
308.02112	0.4
309.08722	2.3
309.12164	0.7
311.10300	22.6
312.25314	5.1
313.11896	1.3
314.12903	0.8
315.09665	1.0
315.13681	0.5
316.14362	0.6
321.04904	0.4
321.08731	12.9
327.09760	31.5
328.10181	0.7
329.11496	0.5
330.15964	0.8
330.26401	1.2
335.10251	0.5
339.09763	100.0
340.10153	2.6
342.12378	1.1
343.13196	0.8
344.13901	1.1
353.11417	3.7
355.13397	0.4
356.13989	1.2
357.10706	0.5
357.14651	1.2
358.15424	1.7
359.16626	0.4
369.11087	0.4
370.12509	1.1
371.12827	0.6
372.13199	0.6
372.17291	0.8
381.10675	0.5
384.13498	1.1
385.14291	2.1
386.15091	0.7
398.12354	1.4
399.06274	0.3
400.16483	2.8
402.18054	0.7
413.13535	0.5
416.13126	0.5
418.17798	1.2
428.16165	2.5
430.17758	2.1
431.15433	0.6
446.17160	7.1
448.18906	0.5
456.15460	0.8
459.66766	0.3
460.18506	0.7
464.18326	0.9
474.16629	25.7
475.16953	0.7
478.19797	0.3
488.18253	1.3
490.19989	0.8
491.11880	0.9
492.17700	7.8
506.19226	2.3
516.18140	0.4
532.17175	1.8
534.18726	13.9
550.18182	3.0
560.16986	2.3
578.17627	22.1
578.99408	0.4
579.18042	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	578.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01875	0.4
65.03932	0.9
67.05495	0.6
69.81593	0.6
69.82000	1.8
79.05495	5.9
79.90218	0.4
80.05028	2.0
81.03435	0.5
84.08150	0.8
91.05484	4.0
93.05789	0.8
93.07056	5.9
94.06568	2.5
95.04997	1.7
95.07353	0.8
96.08150	0.7
97.02892	0.5
103.05477	5.8
105.04545	0.4
105.05776	1.6
105.06989	0.5
108.08128	5.1
110.06056	0.6
110.09682	1.5
118.06543	2.5
119.04893	0.4
119.07330	2.2
120.04478	0.5
120.08115	29.6
121.06467	0.5
122.06048	3.8
133.10185	0.4
135.04465	0.7
136.07590	8.8
138.05515	0.8
138.09161	2.7
145.02831	0.5
146.06055	0.6
147.04387	0.8
148.07581	76.7
149.07965	0.9
152.07091	0.4
162.09174	0.4
164.07062	1.4
166.08650	4.4
168.08099	0.6
180.08058	0.4
183.09296	0.4
186.09125	0.5
192.08253	0.5
194.08395	0.7
195.09247	0.8
196.09949	0.4
197.10715	0.6
197.58949	0.3
199.08638	0.6
207.09239	0.5
208.09785	1.5
209.07108	0.5
209.10765	2.0
210.07727	0.8
211.08635	2.7
212.09448	0.7
213.10226	1.5
218.65184	0.4
219.09203	1.5
220.07750	0.6
221.07164	0.7
221.10884	0.6
222.07808	2.4
223.08641	5.4
224.09422	2.8
225.10257	5.7
227.08202	1.4
227.11766	1.0
234.07932	0.5
235.08661	1.9
236.09496	1.0
237.10240	26.1
238.07391	0.9
238.10979	3.2
239.08177	3.2
239.11824	4.1
240.08864	0.6
241.09749	3.8
247.08665	2.5
248.09534	1.0
249.10147	1.9
250.07480	1.6
251.08159	6.3
251.10841	0.5
251.11882	0.5
252.08714	14.1
253.09732	9.9
255.07732	0.5
255.11383	1.9
256.25217	0.4
263.08203	0.9
264.08978	1.4
265.09735	42.2
266.10477	4.6
267.08185	0.7
267.11292	7.7
268.08505	0.6
269.09247	2.2
271.06067	0.5
272.06387	0.6
275.08218	0.6
277.09747	2.2
278.06973	0.8
279.07779	1.9
279.11340	1.3
280.08551	0.7
281.06635	0.3
281.09222	18.8
283.10809	8.9
293.09216	29.6
294.10068	2.1
295.10779	18.2
297.08716	1.0
299.10416	1.1
301.11865	1.4
302.12750	0.6
307.10690	2.3
309.08878	2.4
309.11917	0.7
311.10278	22.1
313.11868	1.2
314.13559	0.4
315.09860	0.9
315.13654	0.7
316.14352	0.5
321.08694	11.8
321.12241	0.7
325.12271	0.6
327.09763	29.2
329.11444	0.8
330.12433	0.7
330.16110	0.5
335.09967	0.6
339.09766	100.0
340.10181	1.3
342.12341	0.8
343.13315	1.1
344.13748	0.8
353.11377	3.8
356.13873	2.1
357.14911	1.6
358.15637	2.0
370.11877	0.5
372.13113	0.7
372.17300	0.7
384.13293	0.9
385.14276	1.8
386.14999	0.8
400.16873	2.2
402.18069	1.5
413.13663	0.6
418.17630	1.6
428.15991	2.2
430.17606	2.0
446.17123	7.3
456.15536	0.7
464.18121	1.1
474.16617	24.3
475.16895	0.8
488.18103	1.4
492.17676	6.9
506.19186	2.6
516.17584	0.5
532.16907	1.7
534.18762	15.2
549.95343	0.4
550.18134	2.7
560.16913	2.1
578.17706	20.5
579.18152	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	578.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
61.94566	0.3
65.03928	0.4
67.05506	1.0
69.07068	0.3
70.06595	0.5
71.59277	0.3
79.05119	0.4
79.05502	5.0
80.05010	2.0
84.08132	1.3
86.09708	0.6
91.03200	0.3
91.05489	4.2
92.04999	0.4
93.05814	0.6
93.07049	6.5
94.06571	3.2
95.04968	1.3
95.07356	0.7
96.08121	1.0
103.05478	6.3
105.04507	0.3
105.05801	1.9
107.08601	0.4
108.08121	5.2
110.06037	0.7
110.09694	1.7
110.39905	0.3
111.57128	0.3
115.09555	0.3
118.06536	2.5
119.07345	2.1
120.08115	32.9
121.08376	0.3
122.06059	3.5
122.09682	0.4
124.07607	0.4
132.08109	0.3
136.07588	9.3
137.06038	0.4
138.05499	0.7
138.09149	3.2
146.06032	0.7
148.07582	76.7
149.07965	0.7
150.09151	0.5
152.07103	0.7
156.08031	0.4
158.09761	0.3
162.05469	0.3
163.03922	0.4
164.07095	1.4
166.08655	4.4
166.09953	0.5
167.07301	0.5
168.08119	0.7
177.05466	0.6
181.14752	0.3
182.09746	0.5
183.09282	0.3
184.07700	0.5
184.09706	0.3
186.09126	0.3
192.08229	0.4
194.08359	0.5
194.09929	0.3
195.09108	0.9
196.07611	0.4
196.10056	0.5
197.07076	0.4
197.10710	0.6
198.07813	0.3
199.08698	0.6
206.08385	0.8
207.07236	0.3
207.09166	0.9
208.09692	1.7
209.07094	0.3
209.10732	1.7
210.07693	0.5
210.09442	0.3
211.08685	3.2
211.12242	0.4
212.09267	0.8
213.10216	1.6
218.08418	0.4
219.09244	1.6
220.07579	0.4
220.10031	0.3
221.07103	0.7
221.10820	0.6
222.07698	2.3
223.08653	5.4
224.09409	3.1
225.10239	5.3
227.08208	1.1
227.11845	0.8
234.08052	0.3
235.08723	2.0
236.09544	1.4
237.10246	23.9
238.07443	0.9
238.08911	0.4
238.10983	2.9
239.08177	3.6
239.11809	4.5
240.08823	0.4
241.09673	4.0
247.08638	2.4
248.07224	0.4
248.09528	0.5
249.10335	1.6
250.07269	2.3
251.05602	0.5
251.08141	5.6
252.08716	14.7
253.09758	10.2
255.07559	0.5
255.11308	2.3
257.09500	0.3
263.08276	0.9
264.08859	1.8
265.09738	41.8
266.07489	0.4
266.10507	4.3
267.08206	0.5
267.11301	9.3
268.08749	0.7
268.11816	0.4
269.09161	2.1
275.08112	0.4
277.09799	2.5
278.06937	0.5
279.07706	1.4
279.10754	1.4
280.08499	1.0
281.09241	18.6
282.09906	0.6
283.10806	9.6
283.13943	0.5
293.09229	29.8
294.09915	1.3
295.10797	19.8
297.08643	1.1
299.10382	1.3
301.08655	0.4
301.12003	1.3
302.12881	0.4
307.10706	1.8
309.08759	2.4
309.11990	0.6
311.10281	23.8
313.11713	1.5
314.13031	0.7
315.09799	1.4
315.13202	0.4
316.14542	0.4
321.04849	0.5
321.08676	9.8
322.09009	0.4
327.09769	29.7
328.10342	0.9
329.11548	0.6
330.12466	0.7
330.16074	0.9
331.12842	0.4
335.10300	1.1
339.09772	100.0
340.10052	1.5
342.12405	0.8
343.13226	1.0
344.14032	1.2
345.11053	0.5
353.11478	2.7
356.13913	2.0
357.10754	0.6
357.14740	1.3
358.15613	1.6
371.12610	0.7
372.13013	0.5
372.17142	0.8
374.18625	0.4
381.10965	0.6
384.13452	1.1
385.14334	1.9
386.14969	0.9
388.16748	0.4
397.30826	0.5
400.16580	3.0
402.18405	1.4
413.13727	0.5
415.31747	0.4
418.17453	1.7
428.15958	2.6
430.17590	2.2
431.15262	0.4
446.17194	6.2
456.15570	0.9
460.18784	0.6
464.18088	1.6
474.16632	23.7
475.17059	0.6
478.19623	0.4
488.18121	1.9
490.19788	0.7
492.17746	7.7
506.19232	2.3
522.07751	0.3
532.17090	1.9
534.18744	14.7
535.19281	0.5
550.18195	2.5
560.16650	2.3
578.17712	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	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58791	2.8
55.01880	6.3
55.05513	37.7
55.88536	3.1
56.64121	3.1
57.03438	13.9
57.07068	7.8
62.67904	3.7
65.03947	3.9
67.05508	96.3
69.03414	6.2
69.07075	26.8
71.04984	18.7
71.08642	3.8
79.05061	4.3
79.05499	69.6
81.03417	28.0
81.07059	100.0
83.04989	7.5
83.08633	22.3
85.06532	10.8
91.05476	58.8
93.07047	61.6
94.81616	3.0
95.04977	19.2
95.08608	64.4
97.06538	7.7
97.10188	19.8
99.08094	3.4
100.09031	2.8
105.07037	63.8
107.04963	5.7
107.08600	41.9
109.06535	7.2
109.10165	35.7
111.08080	4.3
115.05429	4.5
117.07000	19.6
119.08596	44.4
121.06487	3.9
121.10151	36.2
123.08099	3.7
123.11710	14.2
123.66915	3.0
125.09629	14.6
126.71095	2.9
129.07028	16.8
131.08574	37.8
133.10147	27.0
135.08044	7.1
135.11713	15.1
137.13199	3.0
139.11166	4.2
141.07027	4.7
143.08578	10.8
145.10133	30.4
147.08041	6.6
147.11673	24.2
149.09618	11.7
149.13264	6.5
155.08617	7.8
157.10135	16.8
159.11717	22.1
161.13266	9.2
163.11201	4.4
163.14832	4.4
165.12794	4.2
167.08540	5.7
169.10123	9.3
171.11734	12.2
172.09598	3.3
173.13234	16.9
175.11212	6.6
175.14793	7.5
181.09987	5.7
183.11757	10.4
185.13226	5.4
187.14841	8.8
189.11237	9.0
193.12332	9.2
195.11804	4.1
197.13318	6.6
211.14867	4.9
213.16541	4.2
227.12706	18.8
239.16290	4.3
243.21155	4.3
261.22144	10.2
267.15909	26.2
270.89465	3.2
285.22018	4.1
289.21790	3.8
301.25226	9.7
335.25983	19.4
363.25391	5.4
417.31332	6.8
435.32764	18.7
453.33563	18.2
471.34665	11.9
509.35892	7.9
527.37256	68.9
545.31482	4.3
545.38416	45.1
559.39819	9.3
577.41241	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	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01867	5.5
55.05513	40.5
57.03427	14.2
57.07072	5.9
65.03939	5.4
67.05173	6.3
67.05508	91.1
69.06767	3.1
69.07076	29.1
70.01887	14.7
71.05002	22.2
71.08620	4.0
79.05054	4.8
79.05490	61.0
81.03418	27.1
81.07057	100.0
81.71673	3.0
83.04971	10.1
83.08621	23.0
85.06547	9.7
91.05479	62.5
93.07051	65.1
95.04973	15.3
95.08614	56.6
96.08931	3.7
97.06535	14.0
97.10176	19.8
99.08074	4.6
105.04521	3.6
105.07036	58.0
107.08610	40.0
109.06529	7.1
109.10166	35.8
110.57237	3.2
111.08118	4.9
117.07037	18.6
119.08595	43.0
121.06533	5.3
121.10144	31.8
123.08083	7.7
123.11696	11.0
125.09642	16.8
129.06992	13.4
131.08562	36.9
133.10132	32.5
135.08089	6.2
135.11697	20.0
137.09627	5.8
137.13231	6.9
139.11276	3.0
141.06961	6.0
143.08569	13.3
145.10133	33.5
147.07965	3.8
147.11699	29.8
149.09619	9.6
149.13219	10.1
155.08566	8.6
157.10159	16.2
159.11691	20.0
161.09633	4.0
161.13278	10.6
163.11145	6.5
163.14845	5.6
165.12704	5.3
169.10172	7.8
171.11693	14.0
173.11859	3.3
173.13258	12.1
175.11130	4.8
175.14798	4.2
177.12741	4.0
183.11742	8.5
185.13252	12.8
187.14755	6.0
189.11229	12.8
193.12234	7.5
195.11687	3.9
197.13235	7.4
199.14844	8.0
209.13332	4.6
211.14818	3.6
225.16362	4.6
227.12747	16.2
241.14354	3.8
261.22208	9.4
267.15924	24.7
285.21970	4.9
287.20270	3.9
287.23398	5.2
289.21442	2.9
299.23627	3.6
301.25250	8.7
303.23203	4.4
314.27643	5.4
323.23755	3.5
333.24460	4.2
335.25946	17.8
341.24152	2.9
363.25348	6.9
407.48611	3.9
417.31638	6.6
429.30887	3.5
435.27426	3.8
435.32501	16.0
453.33572	14.2
471.34561	8.8
509.36542	6.8
517.39502	3.5
521.02850	3.2
527.37354	68.8
545.38403	53.5
559.39734	13.3
577.41321	18.5
577.49774	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	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.9
54.30455	3.0
55.01887	8.8
55.05521	37.2
57.03432	15.8
57.07075	7.5
65.03928	4.8
67.05172	5.8
67.05511	90.1
69.07078	27.9
69.50872	26.8
71.04994	16.7
71.08685	3.5
79.05502	68.9
81.03416	24.7
81.07061	100.0
83.04979	11.0
83.08628	23.2
84.08141	6.8
85.06548	13.9
91.05488	47.5
93.07060	67.3
95.04977	11.2
95.08612	66.9
97.06537	11.2
97.10178	19.7
105.07031	53.2
107.04938	5.6
107.08607	41.7
109.06551	8.3
109.10162	39.6
111.04468	4.2
111.08092	5.4
115.05460	3.9
117.07032	21.3
119.08592	48.0
121.06523	7.7
121.10121	31.1
123.08075	8.1
123.11749	10.4
125.08851	4.2
125.09608	17.8
128.06270	4.4
129.07022	14.6
130.08698	7.5
131.08571	33.4
133.06471	3.4
133.10150	28.4
134.30751	2.9
135.08102	8.3
135.11729	16.1
137.09598	3.8
137.13242	5.2
143.08574	14.5
145.10139	22.9
147.08109	4.2
147.11699	17.5
149.09625	5.2
149.13252	12.2
151.11215	4.2
155.08604	9.4
157.10129	13.0
159.11661	19.0
161.09688	4.6
161.13254	13.2
163.14934	3.9
167.08597	4.3
169.10141	7.2
171.11658	9.3
173.09595	3.5
173.11870	4.2
173.13283	15.5
175.11148	5.2
175.14798	4.0
183.11673	6.3
185.13310	10.0
187.14813	7.8
189.11250	12.6
189.16441	3.4
193.12180	3.7
195.11725	5.3
197.13274	6.7
199.14841	7.4
201.16493	4.9
206.27287	3.2
225.16539	4.1
227.12788	15.6
232.03856	3.4
238.57942	3.7
239.16461	3.7
247.87074	3.7
259.20633	5.5
259.74966	4.0
261.22241	9.7
263.72916	3.2
265.14407	3.0
267.15936	24.4
271.20624	3.2
275.20261	4.7
287.23740	3.9
289.21750	7.6
293.21201	8.9
301.25314	10.1
315.23389	5.9
317.24658	3.5
335.25797	21.1
337.74643	3.5
361.27539	3.5
363.25171	6.8
417.31619	4.9
435.32474	14.7
453.33630	15.2
471.34534	12.0
527.37347	55.8
545.38318	37.5
559.39331	7.1
577.38513	11.7
577.51312	6.5
603.47632	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	577.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98453	1.4
53.03936	3.9
55.01873	2.3
55.05297	1.5
55.05512	14.1
56.19846	1.1
57.03448	1.8
57.07076	8.4
67.05506	16.8
69.03432	13.7
69.06723	2.3
69.07071	34.8
71.04992	2.0
71.08625	3.9
71.58602	1.7
73.02919	2.4
77.00555	1.2
79.05491	13.0
81.03419	10.4
81.07062	100.0
82.07355	1.3
83.04953	1.3
83.08627	16.4
85.02413	2.3
85.02905	26.0
85.06548	6.7
85.10179	1.6
87.00833	12.7
91.05454	7.9
93.07047	26.1
95.04975	2.7
95.08611	49.3
95.57899	1.3
97.02892	10.1
97.06532	4.1
97.10193	9.2
99.04447	4.0
99.08105	6.9
105.01850	10.2
105.07035	6.3
105.44351	1.3
107.08601	27.5
109.02860	7.3
109.10164	22.3
111.08103	6.6
111.11700	7.0
119.04937	3.4
119.08595	3.4
120.05269	2.3
120.08076	1.6
121.10152	13.3
123.11716	16.6
125.13287	2.5
127.03924	13.2
131.08566	2.0
133.10168	3.1
135.11708	5.7
137.13260	23.8
139.14813	2.2
143.33736	1.4
145.04991	2.8
145.10062	1.6
147.04408	22.4
147.07961	2.1
147.11714	2.9
148.04727	7.2
148.07486	1.9
149.12166	2.5
149.13266	28.7
151.14809	3.9
153.12740	2.3
155.14310	39.8
159.02870	2.8
163.03960	1.9
163.14795	8.2
165.05473	1.9
165.16383	3.5
167.14342	18.7
179.17880	2.0
184.90732	1.5
196.83578	1.5
205.19539	2.1
219.21066	2.1
223.80602	1.8
231.04906	2.4
275.27283	8.8
281.28537	2.1
293.28397	24.6
311.29361	2.8
395.09570	2.1
396.09930	2.8
472.79749	1.9
513.49072	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	577.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.5
55.01867	3.7
55.05514	11.9
57.03424	5.9
57.07076	2.3
65.03943	2.9
67.05511	26.2
69.03439	7.8
69.07074	10.9
71.05003	3.6
71.32333	2.9
73.02905	6.3
75.04441	2.0
79.05502	33.0
81.03421	8.4
81.07063	31.6
83.04980	2.9
83.08618	4.9
85.02892	6.0
85.06561	2.2
91.04966	3.0
91.05488	41.1
93.07056	44.3
95.04965	3.7
95.08605	18.4
97.02899	3.2
97.06493	3.2
99.04456	4.6
99.08161	1.9
105.07041	46.4
107.08603	24.8
109.02867	14.2
109.06493	2.2
109.10157	6.8
110.03651	4.7
111.04438	6.0
111.08115	1.7
117.07011	10.7
119.07795	3.0
119.08589	39.1
119.09447	2.0
121.10152	23.4
127.03911	7.5
129.07045	9.9
130.75722	1.7
131.08577	18.2
132.99561	2.3
133.10133	34.0
135.11722	16.9
143.08582	9.8
145.10138	20.6
147.11700	37.1
149.09601	1.9
149.13287	15.9
155.08688	2.5
157.10146	7.9
159.11703	16.9
161.13251	20.3
163.14818	5.0
171.11656	9.2
173.13231	8.1
174.70483	2.0
175.14833	10.7
185.13202	8.6
187.14816	4.4
189.12740	2.4
191.00075	5.8
199.14850	6.9
203.14420	2.4
213.16414	2.1
231.17563	3.6
231.21101	6.5
241.19531	30.5
257.19025	3.2
259.20596	74.3
261.22214	1.8
268.49625	1.6
271.20697	1.9
277.21600	3.5
297.72809	1.6
298.54596	2.0
333.24277	7.2
335.93985	1.7
351.25330	100.0
363.24615	1.8
375.25360	1.8
449.19919	2.1
467.20850	3.5
559.25702	5.4
577.27545	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	576.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40442	1.1
55.05518	5.2
58.99593	2.5
61.05904	1.1
67.05474	1.3
69.03429	2.9
69.07066	2.0
69.59791	2.3
69.60197	4.4
70.02917	3.2
70.06610	1.5
76.02225	1.4
79.05498	2.3
81.03419	1.3
81.07033	1.0
83.04987	7.9
85.02893	2.1
86.09716	1.7
88.03993	24.6
90.07939	1.1
91.05494	3.2
93.07043	2.1
95.08611	1.6
97.01083	1.8
105.07030	18.4
107.04948	2.0
107.08604	12.2
108.08105	1.6
111.02652	4.3
117.07034	1.8
119.08567	12.8
120.01177	2.3
121.06526	1.5
121.10158	4.5
122.09663	1.7
125.04202	4.5
129.06998	2.2
129.91002	1.2
131.08601	2.9
133.06476	4.7
133.10120	4.9
135.08051	1.5
137.04207	22.0
139.05772	17.1
140.05276	1.9
144.09328	1.3
145.10091	5.5
147.08046	2.5
147.11690	16.6
149.04274	1.3
150.09061	2.1
156.13870	1.7
159.11685	10.0
160.12462	1.5
161.09608	3.5
161.13275	11.9
163.05820	3.2
165.07315	2.4
166.06870	2.7
167.05223	3.4
173.13249	2.1
174.10420	1.3
174.13554	1.6
174.14926	1.7
179.08922	5.0
181.10487	10.1
187.11171	5.0
188.11935	2.6
189.12752	25.5
190.12189	1.7
191.05150	1.2
191.14307	9.3
192.14655	1.7
193.10460	4.1
202.34578	1.0
205.14705	3.4
206.15402	1.4
208.07823	2.3
209.06198	1.5
212.07382	9.2
221.09964	11.1
223.11525	27.9
226.08942	8.0
251.11246	1.4
252.10576	5.0
264.14236	1.6
282.10440	2.7
292.13846	1.8
293.12152	5.4
310.14722	100.0
382.80273	1.1
485.70441	1.1
488.65198	1.3
576.18066	1.6
576.27026	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	573.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.6
56.43850	4.4
57.07088	7.2
57.76535	5.1
65.03961	6.5
67.05502	32.3
67.71835	4.7
69.07077	16.2
79.05485	26.1
81.07076	37.1
83.08630	16.5
91.05476	34.3
93.07063	35.2
95.08617	57.1
97.06507	6.5
97.10134	6.3
100.49500	4.9
105.07035	53.0
107.08606	49.1
109.06512	9.9
109.10152	18.7
117.07018	14.7
119.08595	100.0
121.10143	39.6
124.99999	7.0
125.09653	6.5
128.51295	6.0
129.07004	8.4
131.08588	28.4
133.10144	67.9
135.08064	9.1
135.11723	20.0
142.07762	6.9
143.08566	18.4
145.10149	56.8
147.08072	5.7
147.11725	31.1
149.09680	6.1
149.13313	7.9
155.08501	7.8
156.09338	8.1
157.10144	37.4
159.11676	42.1
161.09636	15.1
161.13254	16.6
163.11253	9.7
169.10103	7.0
169.62354	5.3
171.11723	13.0
173.13232	30.1
175.11195	12.9
175.14857	24.4
177.09177	7.5
185.13283	18.8
187.14828	34.9
189.16402	41.5
191.14450	7.3
191.17931	7.2
191.51523	4.8
195.11697	7.0
199.14845	21.1
201.16399	37.4
203.14326	54.6
203.18001	10.6
217.15921	27.2
219.17543	6.4
229.15858	9.3
231.17368	6.4
235.16943	22.6
247.17038	32.2
325.16385	10.7
347.21921	22.7
405.31497	13.7
509.32669	11.2
527.33691	7.5
536.38165	5.7
573.39215	5.4
573.48529	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	572.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.05501	2.9
56.16840	1.3
57.03429	4.9
60.04074	1.2
65.10460	1.2
67.05497	6.2
69.03436	9.2
69.07053	3.6
70.06604	1.7
71.04996	2.9
71.59370	1.8
75.04488	8.9
77.03939	1.5
79.05500	22.9
81.03416	8.6
81.07063	8.2
83.04969	1.6
85.02906	7.0
85.06557	9.1
91.05483	19.7
93.07055	100.0
95.04977	6.1
95.08620	5.7
97.02926	7.2
97.06528	1.7
99.04474	1.8
105.07047	12.5
107.04967	1.6
107.08605	19.9
109.02898	6.4
109.06510	1.4
109.10155	2.9
111.04503	2.1
111.08094	5.5
117.07026	5.1
119.04957	5.2
119.08601	15.1
121.06503	2.4
121.10160	96.3
123.08071	2.0
123.11694	1.9
127.03938	7.6
129.06999	1.8
131.08601	13.4
133.10150	5.4
135.04414	1.4
135.11737	1.8
139.11188	4.2
143.08562	2.5
145.05057	1.9
145.10161	8.4
147.04439	23.7
147.11607	1.5
149.09634	29.2
149.10748	2.8
151.07584	1.4
158.10475	1.5
159.11679	2.4
161.13316	1.4
163.03944	1.7
163.11197	2.4
165.05487	1.5
165.09077	1.7
167.10690	38.7
167.12093	2.5
187.14827	2.5
191.10645	8.3
199.14799	1.6
202.36275	1.5
209.11761	13.7
213.16283	1.9
227.12798	21.2
241.10477	1.5
275.12961	2.5
293.13809	5.4
311.14896	26.4
319.41772	1.4
329.15845	2.4
357.20801	1.6
403.11298	1.6
404.30316	1.7
573.19623	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	571.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05501	7.8
57.07077	4.7
61.42572	1.9
62.42867	2.4
67.05520	11.6
68.68857	2.3
68.99792	1.8
69.03429	3.2
69.07075	13.6
69.45927	14.7
69.46346	4.2
71.10253	1.8
71.12775	2.0
77.68357	1.7
79.05482	14.4
81.03426	4.6
81.07059	17.6
83.04987	5.8
83.08607	7.1
85.02892	4.9
85.06548	2.4
87.00835	5.2
91.05486	18.2
93.07053	22.3
95.04960	2.8
95.08609	27.4
97.06528	7.3
98.20696	2.8
99.04432	3.0
105.07040	36.5
107.04931	2.5
107.08597	42.7
109.02853	2.1
109.06483	3.7
109.10173	19.4
111.08080	2.7
115.07569	8.2
115.73310	1.8
117.07029	8.7
119.08588	45.7
121.06496	8.2
121.10154	37.1
123.04412	2.5
123.08011	5.0
123.11681	6.9
127.03929	4.3
129.06990	4.9
130.07762	3.7
131.08559	26.4
133.06516	2.2
133.10136	35.4
135.04422	4.3
135.08026	7.0
135.11717	16.6
137.09622	3.6
137.13196	1.8
139.11125	2.2
140.23364	2.2
141.06987	3.0
142.07814	7.0
143.08588	15.7
144.09309	2.7
145.02748	1.9
145.10150	32.5
147.04410	5.4
147.08052	2.6
147.11681	20.2
149.06090	2.1
149.09622	6.3
149.13220	7.1
151.11125	3.7
153.00746	2.2
153.06982	2.3
153.09102	2.0
155.08575	11.1
156.09358	5.3
156.15407	1.8
157.10135	20.1
158.10912	2.8
159.08073	3.8
159.11700	27.5
161.09616	3.2
161.13213	11.6
163.03909	7.5
163.11194	56.5
163.14807	6.7
167.08551	3.6
168.09311	4.6
169.10146	11.9
170.10904	4.3
171.11707	16.5
173.09697	4.0
173.13289	19.9
174.15811	1.8
175.11137	4.7
175.14856	19.7
177.12772	6.0
177.16400	22.8
179.10640	2.5
181.92554	2.1
182.10902	5.8
183.11696	16.8
185.13271	18.6
187.11227	2.3
187.14848	25.8
189.12762	6.5
189.16420	22.9
191.14294	5.4
191.17953	2.9
195.11760	3.0
197.13274	42.6
199.14856	17.3
201.12740	8.4
201.16406	8.7
203.14276	4.0
203.18045	3.4
205.15884	100.0
207.17453	4.7
209.13252	5.2
211.11131	2.6
211.14813	3.6
213.09094	2.9
215.14352	18.3
215.17851	4.8
217.15854	5.4
219.13799	3.7
219.17422	4.1
223.14975	3.0
225.16388	2.9
229.12331	1.9
229.15813	3.8
231.17419	2.5
233.15323	2.9
233.18932	2.9
239.17932	2.4
243.13786	10.5
249.16336	2.2
251.17780	3.4
261.14819	6.2
283.20532	4.6
295.06049	5.6
319.15390	6.7
339.14429	3.3
347.15048	5.3
382.61655	2.4
385.28824	2.7
403.30127	16.1
405.31390	2.9
421.31177	16.5
431.29385	6.1
439.32312	3.4
449.30530	11.9
467.31509	7.8
485.32550	2.9
507.30859	4.5
525.32501	9.2
535.30206	2.8
541.31787	2.7
553.31464	9.7
571.15509	3.4
571.31824	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	571.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93158	3.0
52.26771	3.6
55.05499	11.6
57.07070	4.2
65.03920	3.3
65.97147	2.9
67.05490	13.8
69.03409	5.6
69.07072	17.2
69.44197	3.4
70.72086	3.1
71.20303	7.0
71.71363	2.9
74.49210	3.0
79.05493	24.6
81.07059	32.3
85.02910	4.5
91.05469	20.6
93.07035	26.0
95.04936	4.8
95.08612	38.1
95.61079	3.1
97.06509	7.2
103.05466	3.4
105.07038	61.9
107.08591	48.6
109.06490	4.3
109.10146	13.5
117.06994	10.7
118.97680	3.0
119.08587	100.0
121.06519	4.9
121.10161	39.7
123.08088	7.7
123.11705	5.7
127.31227	3.4
129.06985	8.4
130.07747	6.4
131.08582	43.2
133.10118	38.8
135.08032	6.4
135.11685	8.2
142.07794	9.4
143.08539	26.8
143.62440	3.6
144.09384	3.6
145.10135	55.7
147.04492	3.8
147.08101	5.7
147.11696	29.3
149.09621	9.8
149.13298	8.0
155.08542	11.9
156.09363	5.6
157.10135	39.1
159.11716	39.1
161.09669	6.2
161.13254	18.8
163.03917	4.0
163.07555	6.8
163.11099	4.7
163.14836	9.0
165.09158	4.0
169.10124	15.1
170.10930	6.2
171.11650	25.2
173.13298	33.3
175.11240	10.8
175.14816	30.4
177.09108	4.6
177.16422	5.7
179.14438	5.2
181.10051	3.4
183.11716	22.7
184.12521	3.5
185.13277	28.2
187.14798	35.7
189.16376	15.6
191.14207	4.4
193.12300	6.0
195.11679	4.9
196.12328	4.0
197.13278	19.6
199.14813	48.9
201.16400	32.7
203.14343	32.4
209.13231	9.1
211.14796	11.7
213.16371	19.2
215.17995	6.9
217.15919	16.3
221.15329	4.0
223.14874	5.0
225.04808	3.1
225.16370	9.6
227.17822	7.2
229.15863	6.9
233.15407	4.1
235.14799	6.1
237.16408	5.3
239.17943	7.6
241.19467	7.8
245.15309	18.4
247.16913	4.2
251.17880	5.8
253.19545	17.2
255.21040	4.6
259.16968	5.4
259.69034	3.6
263.17899	3.4
265.19543	4.7
266.76114	3.6
270.74185	3.4
273.18396	3.5
297.13574	4.1
299.19992	9.3
299.34708	3.4
325.16525	6.0
345.26120	4.1
349.90335	4.2
375.30139	3.9
385.28870	8.8
403.30057	37.2
421.31284	17.5
431.29364	9.5
449.30682	19.2
467.31531	5.2
507.30780	24.4
518.40527	4.5
525.31897	15.6
553.31360	9.5
571.32721	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	571.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	13.7
57.40734	6.1
67.05170	7.6
67.05507	79.3
68.61813	6.0
69.03422	22.2
69.07046	6.4
70.06583	22.6
71.58720	4.8
73.02904	25.2
81.07049	7.8
84.08144	8.6
85.02916	31.8
85.06547	24.0
86.09709	16.4
93.23354	6.0
97.02882	42.3
109.10172	100.0
112.83094	6.0
113.97627	5.7
115.03936	22.5
127.03927	9.2
127.11224	66.5
134.42561	5.5
211.06075	6.7
295.10309	11.5
296.43292	8.4
355.24368	6.5
571.22870	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	571.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05516	4.8
57.07071	2.5
65.03944	1.0
67.05497	5.3
69.03429	1.4
69.07072	7.8
69.75759	0.8
74.49899	0.7
79.05507	6.0
81.07063	10.7
83.04969	4.0
83.08612	5.1
87.00837	4.5
91.05477	11.8
93.06473	1.3
93.07054	16.9
95.04975	1.9
95.08607	19.1
97.06541	3.5
99.08080	1.5
103.05459	0.8
105.07030	19.3
107.04977	1.3
107.08600	29.7
109.06525	2.4
109.10168	8.4
115.05452	1.3
115.07588	6.4
117.07024	6.9
119.08589	32.5
121.06541	4.9
121.10147	27.8
123.08057	2.3
123.11696	2.7
125.09677	1.1
128.06226	2.1
129.06998	3.0
130.07816	1.9
131.08578	19.6
133.06537	1.5
133.10144	24.0
135.08066	4.2
135.11700	10.5
137.09637	3.6
137.13271	1.4
141.07001	1.6
142.07780	3.1
143.08577	12.7
144.09349	2.2
145.10130	30.4
147.08073	2.3
147.11697	19.7
149.09612	2.8
149.13264	5.9
151.11188	2.5
151.42064	0.9
153.07100	0.8
154.07845	1.1
155.08592	10.0
156.09341	3.3
157.10144	17.1
158.11002	1.7
159.08031	1.9
159.11702	25.2
161.09605	2.4
161.13277	10.6
163.11195	58.5
163.14795	5.5
167.08551	2.5
168.09380	2.7
169.10139	7.3
170.10934	3.6
171.07857	0.8
171.11707	14.5
172.12453	1.8
173.09669	2.7
173.13260	16.2
174.13898	0.9
175.11206	1.8
175.14836	17.5
177.12811	2.9
177.16394	24.5
179.14290	0.9
181.10100	1.8
182.10899	6.5
183.11716	12.3
185.13264	12.2
187.11325	1.8
187.14821	24.0
189.12767	5.6
189.16394	21.4
191.14407	1.9
191.17996	2.5
197.13272	40.5
199.14815	18.1
201.07602	2.9
201.12804	7.7
201.16383	7.3
203.14336	4.7
203.17995	1.4
205.15887	100.0
206.16301	1.9
207.11903	1.0
207.17441	5.8
209.13297	2.2
211.11201	2.3
211.14832	2.3
213.12779	0.9
213.16415	2.6
215.14330	16.0
215.17786	3.8
217.12338	1.0
217.15863	4.6
219.13805	1.1
219.17513	2.4
221.15320	1.2
223.14940	0.9
225.12749	0.9
225.16418	1.8
227.14256	1.8
229.15883	0.9
229.55933	1.0
231.13841	1.4
231.17555	2.0
233.15398	2.4
233.19051	1.9
235.13164	1.9
243.13840	7.9
243.17616	1.0
245.15427	1.4
261.14749	5.0
296.50381	1.0
301.14249	1.4
319.15414	8.1
339.14450	3.0
347.14963	3.0
351.27148	0.9
353.28333	0.9
365.15976	2.4
379.29929	1.3
385.28958	2.1
403.29999	14.0
405.31500	2.3
421.31064	13.7
422.31308	1.1
431.29398	2.9
439.31976	2.7
449.30515	8.2
467.31750	7.8
485.32596	2.5
497.32730	1.2
507.31284	3.8
525.32098	11.0
535.30774	1.3
541.31641	1.2
553.31696	8.6
571.32672	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	570.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01878	1.6
55.05513	14.4
56.05036	6.3
57.03433	1.0
57.07078	7.4
58.02949	1.2
58.06601	1.3
60.04529	98.9
65.03946	1.5
67.05508	24.9
68.05035	1.0
69.06714	1.4
69.07072	20.0
69.35799	5.6
69.97781	0.6
70.02970	0.7
70.06590	2.7
71.08630	4.8
72.04521	5.6
73.89401	0.8
74.06076	3.3
79.05494	16.6
80.05032	1.8
80.44221	0.6
81.03426	3.7
81.07057	21.9
81.07511	1.3
82.06575	4.0
83.04999	1.5
83.08621	11.6
84.04540	0.8
84.08169	1.6
85.02914	0.7
85.10187	1.6
86.06076	4.8
87.35338	0.6
89.06028	5.6
90.05553	5.8
91.05491	13.5
93.07046	14.6
94.06571	7.9
95.04992	3.4
95.07354	2.2
95.08610	18.9
95.93363	0.6
96.08143	3.0
97.06554	2.1
97.10171	7.4
98.06092	2.3
99.06878	0.8
100.07671	1.1
101.99797	0.7
105.07037	8.9
107.07394	0.7
107.08598	8.3
107.09178	0.7
108.08118	3.2
109.06497	1.6
109.10158	7.5
110.09690	1.4
111.08092	1.1
111.11719	1.6
112.07621	1.5
117.07021	1.2
119.08591	10.4
121.08941	0.9
121.09359	0.7
121.10146	6.1
122.09668	2.1
123.08083	2.7
123.11730	2.9
123.68176	0.7
125.13290	0.9
126.09235	0.9
131.08643	0.8
133.08614	4.0
133.10112	7.1
133.51131	0.7
135.10713	0.8
135.11662	3.6
136.11220	1.5
137.09615	2.1
137.13248	1.1
147.11716	2.6
149.13264	1.3
150.27252	0.7
151.14816	1.2
161.13339	1.6
163.14842	1.1
175.14743	1.0
177.11244	1.9
193.46230	0.7
219.21060	0.9
233.22687	1.4
234.22278	1.2
238.25433	0.8
245.22667	8.3
249.34782	0.7
250.25275	4.5
252.26987	0.9
262.25314	48.0
263.23676	8.0
266.24777	1.0
268.26355	1.6
272.25845	10.9
280.26361	40.2
298.27451	14.7
314.26865	3.7
316.28497	3.7
344.27869	2.2
356.27924	1.0
371.22821	1.6
516.47650	4.3
534.48773	18.9
552.49890	100.0
553.49823	2.1
565.91400	0.9
570.50891	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	570.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01883	1.8
55.05265	0.8
55.05518	13.2
56.05043	5.8
57.03431	1.6
57.07079	9.1
58.06593	1.4
59.82868	0.8
60.04531	96.8
62.78786	0.8
67.04287	1.0
67.05509	22.6
69.06718	1.3
69.07076	20.9
70.06573	3.0
71.08637	5.4
72.04523	7.1
74.06081	3.8
75.57008	0.8
76.18918	0.9
77.85172	1.0
79.05499	14.7
80.05021	1.9
81.03417	4.0
81.07065	25.4
82.06580	3.9
83.04977	1.8
83.08629	12.7
84.04532	0.9
84.08135	1.7
85.10187	2.6
86.06080	4.1
89.06045	7.7
90.05554	4.2
91.05489	14.0
93.07056	13.2
94.06573	6.9
95.04977	3.7
95.07343	3.0
95.08615	21.3
96.08116	3.2
97.06542	1.7
97.10196	6.3
98.06062	1.9
105.07034	8.5
107.08588	5.4
107.47540	0.8
108.08102	3.2
109.06534	1.0
109.10168	8.4
110.09689	1.3
111.08092	1.4
111.11729	2.7
112.07610	1.4
116.07109	1.1
117.07059	1.0
119.08575	9.7
121.10156	7.9
122.09672	1.6
123.08039	1.2
123.11702	3.0
124.69611	0.9
125.13333	1.0
133.08618	5.2
133.10141	5.4
135.11693	4.5
136.11205	1.2
137.09697	1.3
137.13309	1.7
139.14854	0.8
147.11674	3.5
149.13255	1.8
156.17516	1.3
161.13254	1.8
163.14845	1.2
177.11287	1.3
219.21101	1.0
233.22618	1.4
245.22618	5.6
250.25320	3.8
254.24817	1.6
260.23434	0.8
262.25333	43.2
263.23691	7.4
268.26379	2.3
272.25873	10.9
276.90671	1.1
280.26367	36.4
298.27444	17.3
314.26889	3.0
316.28482	3.7
336.07480	0.9
344.28024	2.3
371.22836	1.6
504.47467	1.6
516.48053	4.0
534.48828	22.7
552.49915	100.0
553.50305	1.8
565.90631	1.9
570.50592	5.4
570.58508	1.9
571.47375	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	570.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.9
57.07082	55.1
60.21308	1.4
66.19058	1.5
67.05499	6.4
69.07066	7.7
70.18067	6.8
71.08640	53.5
73.06546	6.0
79.05481	1.8
81.07050	4.4
81.54924	1.6
83.08614	5.7
85.10188	32.5
87.04466	6.2
88.36031	1.9
89.06041	100.0
91.05482	4.9
93.07048	6.7
95.08617	5.1
97.10176	3.8
99.11745	5.9
102.18776	1.7
105.07014	3.7
107.07072	2.8
107.08625	3.3
109.10131	2.8
111.11714	4.0
113.13289	7.5
113.66313	1.6
117.09128	6.1
125.13280	1.9
127.14861	2.4
130.08679	2.4
133.08614	63.5
135.11691	1.8
145.10150	1.9
169.10133	1.5
177.11246	26.1
213.04091	1.7
221.13826	6.5
227.23770	2.1
239.14955	1.9
271.26312	4.6
283.17538	3.1
315.28894	5.6
327.20160	4.2
353.11401	2.0
371.22861	13.1
509.40289	1.9
533.14459	1.6
553.43048	11.3
565.77014	1.9
565.91064	2.6
570.42456	5.7
573.48138	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	570.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44896	0.6
65.03939	1.2
67.05495	1.3
69.43299	2.2
69.43724	3.6
70.06586	2.0
71.03517	0.6
79.05495	1.3
81.03394	0.8
81.07046	0.8
82.06572	1.6
89.03918	2.2
91.05485	1.1
92.05019	0.9
93.07036	2.5
94.06590	3.9
94.07295	0.6
95.04926	1.0
95.07342	2.4
95.08611	0.7
96.08142	8.6
97.06554	1.2
103.05466	1.0
104.10734	1.2
105.07053	0.9
106.06557	1.6
108.08116	8.3
109.86350	0.6
109.87089	0.6
110.09682	8.2
112.07584	0.8
116.04983	11.4
120.04422	0.8
120.08123	7.8
122.06022	7.7
124.07600	24.1
131.69252	0.7
134.06027	1.6
136.07578	9.7
138.05540	1.2
138.09158	10.0
144.04459	19.1
145.02826	2.6
146.06000	1.2
147.04414	0.8
148.07579	3.4
152.07059	7.6
154.08646	1.2
158.08110	0.8
160.03966	1.5
162.05544	6.5
166.08653	20.3
172.03944	85.7
173.04262	0.8
177.05528	4.8
180.06529	1.3
184.07480	1.1
190.05006	34.2
190.06746	1.7
198.07646	4.4
204.06575	100.0
205.06877	1.7
211.08641	1.0
212.09164	2.0
213.10036	0.8
214.10773	5.0
223.08626	1.2
223.12370	1.0
224.09467	1.0
225.10185	0.7
235.08746	1.5
236.09517	2.3
237.06619	0.9
237.10321	2.2
239.08275	0.9
249.10248	1.7
250.10918	0.9
251.08217	2.8
251.11887	1.9
252.08942	1.6
253.09787	2.0
264.09009	2.7
265.09738	5.2
266.10385	1.9
269.09164	0.9
269.12808	0.9
278.10742	0.9
279.07956	5.9
279.11310	5.1
280.08514	1.1
281.09103	2.1
282.09918	1.2
283.10626	1.0
292.08374	2.7
293.09143	4.8
294.09955	2.1
295.10818	1.0
296.11703	0.9
297.08926	1.0
297.12296	11.5
299.10382	1.7
307.10757	2.9
309.08978	0.9
309.12350	2.6
311.10092	1.4
313.11911	2.9
320.07831	1.7
321.08865	1.1
323.10156	0.8
325.11847	52.6
326.12259	1.5
327.13565	1.3
329.15079	1.0
335.10333	1.4
338.09027	4.7
339.13470	1.6
341.11307	10.4
343.12900	6.9
353.11331	21.9
357.14575	8.0
373.13931	10.4
385.14072	8.1
405.16415	1.3
435.18066	1.1
450.20593	0.9
460.48761	0.8
462.20514	1.2
465.18631	0.8
466.19583	1.0
474.16473	1.1
478.19580	3.5
506.19244	23.7
520.21069	1.6
538.21887	54.3
539.21985	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	570.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84127	0.9
62.59983	0.9
63.08558	0.8
65.03926	1.4
68.05019	0.9
70.06583	1.4
70.93488	1.7
78.41989	0.9
79.05469	1.9
81.05788	1.3
82.06578	2.4
86.09689	3.4
87.12975	1.1
89.03903	1.8
91.05475	2.1
93.07037	2.6
94.06561	5.2
95.04955	1.6
95.07339	3.4
95.08607	1.3
96.08126	10.8
106.06525	1.7
107.32467	0.9
108.08128	8.4
110.09688	13.0
116.04967	9.0
119.91002	0.9
120.04451	1.0
120.08118	10.5
122.06056	7.4
124.07589	26.4
130.06540	1.3
134.06027	1.0
136.07599	11.5
137.14716	0.9
138.05521	1.7
138.09148	14.0
142.41417	1.1
144.04442	17.4
146.06038	1.9
147.04422	1.2
148.07587	3.9
152.07091	7.2
154.08630	2.7
160.03970	1.5
162.05533	7.5
163.03882	1.1
164.07179	1.0
166.08661	25.3
172.03938	82.2
176.91452	1.1
179.83076	1.0
182.08157	1.4
184.07356	8.2
190.05003	30.3
198.07634	2.2
204.06577	100.0
205.15683	1.0
212.09290	1.1
214.10739	5.2
223.08636	2.5
223.12218	1.3
224.09299	1.4
225.10135	1.8
231.29617	0.9
235.08641	2.7
236.09511	3.8
237.06595	1.0
237.10182	5.5
238.11063	1.1
239.08165	2.5
241.09630	1.0
249.10289	2.7
251.08113	7.3
251.11845	2.5
252.08971	2.2
253.09709	4.3
255.11317	2.0
264.08932	4.7
265.09781	12.3
266.10590	2.7
267.11292	3.1
279.07681	12.2
279.11261	6.3
280.08490	3.3
281.09161	3.6
281.12518	1.8
282.10046	3.2
284.65036	1.2
288.87314	1.1
292.08401	5.8
293.09213	14.5
294.10150	4.8
295.10779	2.6
297.09103	1.4
297.12335	16.5
299.10309	2.3
301.12003	1.5
307.10770	4.9
309.12302	5.7
310.09235	2.0
311.10324	1.7
313.11835	4.1
315.19888	0.9
320.07953	2.7
323.10187	1.7
325.11829	68.9
326.12286	1.3
327.13351	1.1
335.10294	4.3
338.09021	11.5
341.11316	12.9
343.12836	8.8
353.11328	38.1
353.15741	2.0
357.14563	10.9
373.13974	13.5
385.13953	12.9
460.18942	1.4
474.16699	1.8
478.19360	2.7
488.18341	1.9
506.19263	37.7
520.20929	2.2
538.21869	89.6
539.22113	2.3
570.24060	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	569.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.05518	14.2
57.07077	5.2
65.03937	2.8
67.05508	17.3
69.07072	18.4
69.07948	2.0
69.29739	4.7
69.30148	17.4
76.91105	2.0
79.05501	23.0
81.07065	48.1
83.04986	20.7
83.08630	4.6
85.02921	2.0
87.00830	8.3
91.05488	32.9
93.07056	37.8
95.04968	10.7
95.08613	49.8
97.06561	9.1
98.21495	4.2
99.08078	2.3
103.05470	3.4
105.07039	83.2
107.08598	49.1
109.06538	6.4
109.10177	20.4
111.08100	6.5
112.51142	1.8
115.05495	3.9
115.07574	15.8
116.06212	2.5
117.07043	18.1
119.08589	86.5
121.06516	4.5
121.10158	33.3
123.08083	6.4
123.11728	21.5
125.09605	2.8
128.06204	8.9
129.07048	12.4
130.07796	3.6
131.08575	57.0
133.06509	2.6
133.10136	49.5
133.11076	3.5
135.08070	12.1
135.11650	11.3
137.09610	4.5
137.13251	2.4
141.07030	5.4
142.07796	15.1
143.08575	39.1
144.09346	7.2
145.06496	2.8
145.10135	84.3
147.08058	3.3
147.11697	43.7
149.09651	5.2
149.13283	8.6
151.07549	2.3
151.11176	2.8
153.07048	3.0
155.08574	22.1
156.09352	14.0
157.10144	58.1
158.10927	8.5
159.08060	3.7
159.11708	60.3
161.09683	9.1
161.13243	23.9
163.11240	4.3
163.14835	5.3
165.07048	3.4
167.08614	4.7
168.09378	5.4
169.10153	21.0
170.10933	9.9
171.11707	40.8
173.09674	5.8
173.13269	61.5
175.11226	6.9
175.14842	32.5
177.12798	4.6
177.16411	17.4
179.08499	2.1
179.10710	2.3
181.10136	10.9
182.10919	7.8
183.11694	29.6
184.12456	5.7
185.13271	41.1
187.11208	7.1
187.14830	49.1
189.12793	8.4
189.16371	15.7
191.14377	5.9
193.10162	2.8
193.15945	2.2
195.10170	2.4
195.11703	11.2
197.13283	30.8
199.11191	14.9
199.14818	33.8
201.07578	7.6
201.12750	30.4
201.16374	16.6
203.14349	33.2
203.17964	2.7
205.15897	100.0
207.11734	2.7
207.17525	3.7
209.13326	6.9
211.14839	8.2
213.12822	6.3
213.16377	10.8
214.13429	2.0
215.14345	17.7
217.12250	7.3
217.15891	13.1
219.13817	4.4
219.17467	2.2
221.13313	1.9
221.15494	2.5
223.14902	4.4
225.16373	3.0
227.14401	3.8
227.17987	2.4
229.15907	6.6
231.13895	4.0
231.17488	5.3
233.15457	3.7
235.13110	2.8
237.16371	6.2
239.17961	3.0
243.13832	8.3
245.11769	4.7
247.13332	7.3
251.18086	3.6
259.13312	2.7
261.14941	7.3
339.14462	6.0
345.13226	2.6
347.14554	2.1
349.12772	7.5
363.14526	2.3
377.28604	2.7
389.28430	2.3
401.28491	10.9
403.30151	2.8
419.29428	12.9
429.27872	3.8
447.29102	12.7
465.29993	9.1
479.17352	2.4
505.29230	6.3
523.30365	7.8
533.29681	2.8
537.20801	2.3
539.29468	3.4
551.29907	14.6
569.23346	1.7
569.31140	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.05505	14.9
57.07073	8.6
65.03925	4.0
67.05504	19.4
69.07069	19.9
71.60261	5.7
79.05496	23.3
81.07063	42.4
83.04989	27.9
85.06541	5.8
87.00832	13.3
90.35961	3.5
91.05489	47.2
93.07052	44.2
95.04971	54.5
95.08600	38.5
97.06536	19.5
101.52820	2.9
105.07037	100.0
107.08594	57.6
108.28956	3.0
109.06527	13.9
109.10143	19.4
115.07577	46.6
117.07001	24.6
119.08588	96.5
121.06519	9.9
121.10152	33.0
123.08090	9.7
123.11717	8.6
124.94661	3.1
125.09679	3.7
128.06250	8.9
129.06996	19.1
130.07779	7.4
131.08574	79.4
133.10135	60.9
135.08075	10.9
135.11707	12.8
137.09608	6.5
141.07037	5.9
142.07806	20.7
142.61180	3.2
143.08562	48.2
144.09396	8.9
145.06424	4.2
145.10130	95.8
147.08084	9.7
147.11700	69.8
149.09674	8.7
149.13281	24.3
151.07625	3.2
151.11221	4.0
153.06975	4.7
155.08577	25.1
156.09343	16.8
157.10147	70.3
158.10942	7.3
159.08092	11.9
159.11700	77.0
161.09644	18.3
161.13263	25.7
163.11269	6.3
163.14833	6.1
167.08632	6.4
168.09305	6.1
169.10156	30.3
170.10919	13.0
171.11690	41.5
173.09634	10.5
173.13277	64.5
175.11212	10.9
175.14838	36.5
177.12746	3.6
177.16415	10.5
179.10799	4.0
181.10127	10.7
182.10948	15.2
183.11696	26.6
185.13287	42.8
187.11234	7.7
187.14838	50.4
189.12799	20.3
189.16393	11.8
191.10721	3.4
191.17940	3.6
195.11722	11.2
197.13264	65.0
199.11238	20.0
199.14857	53.3
201.07594	23.9
201.09058	3.1
201.12750	30.5
201.16438	9.7
203.14328	54.7
203.17943	4.7
204.15050	4.0
205.15875	38.9
207.11639	4.1
209.13370	7.6
211.14893	8.7
213.12752	9.8
213.16389	9.5
215.14331	62.1
217.12250	12.0
217.15958	10.8
219.13794	4.3
221.13333	4.3
223.14833	3.4
225.12875	5.0
225.16383	5.0
227.14371	4.5
227.17931	4.2
229.15886	4.5
231.13913	5.1
231.17455	9.5
233.15399	8.4
235.15021	4.1
237.16484	4.3
243.13857	31.0
247.13298	4.0
249.16405	4.5
261.14859	33.5
263.17972	4.8
319.15405	6.1
339.14578	9.6
342.12564	3.1
347.14920	10.8
349.12817	13.9
361.25665	3.2
365.15927	18.1
401.28348	9.9
403.30161	4.7
416.16046	11.9
419.29248	8.6
435.54111	3.3
437.30515	4.6
447.29074	12.6
465.29922	8.0
483.30722	8.1
511.26874	11.2
523.30438	11.3
525.31622	5.1
551.30145	19.2
569.23602	13.2
569.31329	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66344	1.4
53.03954	3.6
55.05519	10.2
57.07069	4.6
58.72278	1.5
62.18582	1.5
62.45964	1.4
64.99485	1.6
65.03941	1.5
67.05508	16.5
69.03450	2.7
69.07074	13.7
69.29025	2.4
69.29423	11.5
79.05503	18.0
81.07063	41.1
83.04988	14.9
83.08611	5.0
83.71381	1.5
87.00851	8.7
91.05491	29.9
93.07054	33.9
95.04991	7.9
95.08613	39.0
97.06534	11.5
99.08098	1.6
103.05455	2.3
105.07039	76.2
107.08600	41.3
107.09287	3.0
108.13670	1.4
109.06506	6.2
109.10172	15.4
111.08076	2.7
115.05463	2.9
115.07587	18.6
116.06262	1.6
117.07021	15.7
119.08599	80.6
121.06503	5.2
121.10164	29.2
123.08076	4.9
123.11732	17.9
125.09695	1.7
128.06250	8.0
129.07016	11.6
130.07785	4.3
131.08586	56.0
133.06509	3.5
133.10146	46.2
135.08052	12.3
135.11691	8.8
137.09668	2.8
141.07011	6.4
142.07805	13.4
143.08574	32.8
144.09317	4.4
145.06459	1.7
145.10143	71.5
147.04433	1.9
147.08060	6.5
147.11707	38.1
149.09663	5.6
149.13286	8.4
150.47787	1.6
151.11172	2.9
153.06996	2.0
155.08586	15.5
156.09360	11.3
157.10143	48.4
158.10909	6.3
159.08095	3.2
159.11716	57.9
161.09680	8.0
161.13264	19.7
163.03815	2.1
163.11198	7.0
163.14842	4.2
167.08606	5.1
168.09398	7.4
169.10129	18.7
170.10927	8.3
171.11703	34.4
172.12340	1.6
173.09648	6.9
173.13280	58.4
175.11182	6.9
175.14845	36.5
177.12790	3.8
177.16405	20.9
179.10693	2.3
181.10173	9.5
182.10925	6.0
183.08130	1.7
183.11714	27.6
184.12550	2.4
185.13283	37.7
186.10274	2.1
187.11220	6.0
187.14848	46.8
189.12770	9.9
189.16406	14.2
191.14302	3.8
193.15979	2.1
195.11732	7.6
196.12537	2.3
197.13287	28.5
199.11174	11.8
199.14844	30.6
201.07632	6.6
201.12756	20.0
201.16368	10.9
203.14343	32.9
203.18037	2.3
205.15898	100.0
207.11795	3.4
207.17587	1.9
209.13297	8.0
211.11095	2.2
211.14842	6.9
213.12750	5.1
213.16290	8.1
215.14297	16.1
215.17894	1.6
217.12277	4.8
217.15909	11.0
219.13779	3.6
219.17444	4.0
221.13403	2.2
221.15384	2.1
223.14818	5.5
225.12720	2.5
225.16319	2.0
227.14290	3.5
227.17966	3.2
229.12257	2.0
229.15945	3.6
231.13774	1.9
231.17450	5.9
233.13316	2.6
233.15388	4.0
235.13139	2.8
237.16385	3.4
239.18007	1.8
243.13832	9.1
245.11720	4.3
245.15433	3.4
247.13348	6.7
251.17944	2.1
255.17494	2.1
259.13452	2.5
259.17084	1.9
261.14844	8.5
263.18048	2.3
275.17963	1.7
277.19595	2.5
303.12204	2.4
319.15375	2.7
333.13208	1.8
339.14502	5.1
347.14838	1.7
349.12927	4.6
363.14447	3.1
365.15784	1.8
373.28915	1.8
383.27429	3.4
385.29022	1.9
391.29947	2.4
401.28525	12.3
403.29990	4.0
419.29608	12.6
429.27872	4.3
437.30780	2.5
444.15317	1.9
447.29089	9.5
465.30026	6.1
483.31311	3.5
505.29446	3.6
507.30844	4.0
515.27631	1.6
518.19781	1.6
523.30432	5.8
533.28638	3.0
539.29950	3.0
541.31586	2.7
551.30042	10.2
569.31122	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
53.03943	3.7
55.05513	11.9
57.07078	7.9
58.47414	0.9
59.05002	2.5
61.89767	0.9
62.18116	0.8
65.03941	4.1
67.05510	18.1
68.47487	0.9
69.03436	3.3
69.07071	11.0
70.98878	2.6
71.05015	1.0
78.04681	1.4
79.05496	26.1
80.06285	4.0
81.03434	1.0
81.07060	32.8
81.31596	0.9
82.31656	0.9
83.04980	3.2
83.08642	5.4
85.06547	3.3
87.92791	1.0
91.05488	48.5
92.06261	2.5
93.07051	52.9
94.07844	2.5
95.04976	43.0
95.08612	28.6
97.06538	2.5
103.05479	4.3
104.06261	1.8
105.07037	90.4
106.07880	4.6
107.08602	40.3
108.09388	1.8
109.06548	4.6
109.10166	18.4
111.08071	1.3
115.05448	5.6
116.06243	2.1
117.07029	30.6
118.07832	2.7
119.08588	100.0
120.09413	8.5
121.06516	3.3
121.10145	31.0
123.08080	17.5
123.11723	5.2
125.09580	1.8
127.05344	0.9
128.06229	11.6
129.06044	1.1
129.07010	19.2
130.07791	9.6
131.08572	52.0
132.09360	10.1
133.06534	1.1
133.10138	53.4
134.10899	4.7
135.08087	6.0
135.11694	15.5
137.09627	4.7
138.10420	7.1
139.11174	2.1
141.06989	7.8
142.07784	18.9
143.08571	44.9
144.09354	15.5
145.10133	90.6
146.10898	5.1
147.08037	2.0
147.11696	21.7
148.08913	1.3
149.09660	5.1
149.13293	3.7
151.11186	3.1
153.07007	3.1
154.07739	3.1
155.08566	14.3
156.09351	19.1
157.10143	48.9
158.10933	10.5
159.08081	1.8
159.11696	40.0
160.12411	2.3
161.09627	5.1
161.13278	7.8
163.11192	2.7
165.07010	4.4
166.07802	3.7
167.08604	7.6
168.09351	7.8
169.10150	27.1
169.11584	2.1
170.10907	8.9
171.11703	33.8
172.12451	5.8
173.09825	1.1
173.13275	28.8
174.13965	1.2
175.11163	2.2
175.14844	20.6
175.16270	0.7
177.12788	4.4
179.08557	10.1
180.09375	4.9
181.10123	17.1
182.10902	8.3
183.11700	27.7
184.12550	4.4
185.13278	21.9
186.14011	6.3
187.14847	11.4
189.12761	4.0
189.16418	1.1
191.08549	1.3
191.14334	9.6
192.09361	2.3
192.15149	2.9
193.10144	11.4
193.15788	1.9
194.10919	8.8
195.11723	16.5
196.12448	7.0
197.13269	25.7
198.14067	4.5
199.11284	1.0
199.14851	11.4
200.15532	1.6
201.12715	3.2
201.16379	6.7
203.14374	3.3
205.10262	2.3
205.15953	1.6
206.10968	3.4
207.11690	12.9
208.12503	6.0
209.13264	24.0
210.14082	2.4
211.14809	18.2
212.15619	2.6
213.12770	1.4
213.16393	5.8
215.14316	1.3
217.10271	1.2
217.15848	6.2
219.11748	4.0
219.17450	1.2
220.12550	2.6
221.13277	7.9
222.14020	2.7
223.14813	9.3
224.15637	3.4
225.16432	7.6
226.17149	2.7
227.17976	2.3
229.15892	1.2
231.11722	1.5
231.17429	1.3
232.12296	1.0
233.13263	3.9
233.18930	1.0
234.13989	2.2
235.14865	6.0
237.16353	8.5
238.16962	1.3
239.14435	1.2
239.18022	6.7
241.19525	2.6
243.17502	1.3
245.13306	1.9
246.13791	2.3
247.14827	3.8
248.15623	1.4
249.16454	5.3
251.17964	4.0
252.18706	1.5
255.17525	2.0
255.21136	1.2
257.19009	2.5
259.20697	2.7
261.16339	3.3
263.17957	4.2
264.18756	1.3
265.19565	3.6
267.20953	1.8
270.19858	1.5
271.20605	1.9
272.21277	1.8
273.16479	1.3
274.16943	1.0
275.17957	3.4
277.19504	4.3
278.20334	1.4
279.21021	2.8
281.19080	1.5
282.19785	1.1
283.20551	4.2
284.21283	1.6
285.22241	2.4
289.19403	1.1
296.21304	1.2
297.22101	2.5
303.20786	1.4
305.22702	1.5
309.22113	1.4
311.29440	1.2
321.22147	1.3
323.23758	6.4
324.24417	1.2
335.23737	1.4
337.25128	2.4
338.26059	35.6
339.26514	1.3
347.23615	1.3
350.25555	1.4
351.26724	1.6
415.29932	1.5
420.30127	3.1
429.31622	1.0
430.32373	13.6
450.72620	1.0
458.35706	1.6
476.36664	12.5
485.13501	1.0
489.37234	1.3
512.36005	1.1
568.42792	23.4
568.56897	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	568.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01865	1.0
55.05517	0.8
57.03427	3.0
57.07074	1.6
58.82044	0.7
61.02936	4.9
62.49355	0.6
67.05509	6.9
69.03432	7.7
69.07078	1.5
69.76310	4.4
70.06590	1.4
71.04995	6.2
73.02902	1.9
79.05492	5.8
81.03432	3.7
81.07053	1.8
83.04974	2.6
85.02911	42.7
85.06551	40.1
87.04461	1.2
91.03948	2.5
91.05489	5.1
93.07057	5.9
95.04961	1.7
95.06046	0.7
95.08611	1.0
97.02895	12.7
97.06517	1.1
98.06107	0.8
99.04448	1.6
99.08113	2.0
105.07032	5.8
107.04965	3.8
107.08604	7.0
109.02885	4.2
109.06535	1.8
109.70554	0.9
111.04429	5.4
115.03858	0.7
117.07018	1.6
119.08595	6.1
121.02866	0.8
121.06493	4.4
121.10154	7.4
122.15633	0.7
125.05997	1.0
125.09623	0.8
127.03931	11.1
129.06992	2.5
131.08578	24.1
133.10118	0.9
135.08006	0.8
135.11702	2.5
137.05994	1.1
137.09607	1.9
143.07123	0.7
145.03217	0.8
145.04973	15.5
145.10127	11.5
147.08052	1.8
147.11705	0.8
149.06026	0.9
149.09631	24.7
151.07478	0.7
153.05423	1.5
155.07053	1.0
160.05103	1.1
163.03871	1.1
163.06056	3.8
163.11194	8.3
165.09090	4.3
167.10692	13.1
170.32170	0.7
173.09671	3.1
190.76846	0.8
191.10690	29.9
192.07658	1.1
197.11754	0.7
209.11748	44.0
225.59019	0.7
227.12798	100.0
228.13126	0.9
252.09007	0.7
342.66977	0.7
366.46130	0.8
581.77759	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	568.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91069	1.6
55.01854	3.3
56.98190	1.7
57.03429	2.4
58.01979	1.7
59.21462	1.5
60.04517	6.0
60.93829	1.7
61.02915	3.1
67.05498	5.3
69.03436	9.0
69.07057	2.3
70.06597	58.0
70.98489	3.0
70.98827	2.6
71.04987	6.1
79.05475	8.0
81.03400	6.3
81.07059	2.5
83.04929	2.8
84.08132	2.5
85.02914	27.7
85.06545	45.9
86.09722	2.3
91.03924	2.2
91.05479	7.9
93.07044	6.9
95.04961	2.9
97.02870	6.0
99.04436	2.1
105.07031	7.9
107.04953	4.5
107.08607	9.9
109.02844	4.3
110.07145	4.0
111.04419	5.6
116.64968	1.9
117.07008	6.9
119.04982	1.9
119.08596	8.7
121.06475	5.3
121.10139	7.0
124.03922	2.6
125.05984	2.2
127.03925	10.5
130.06531	17.4
131.08574	27.7
131.83621	2.0
133.10123	3.5
135.08000	2.4
136.07562	3.4
137.05960	2.4
137.09612	2.7
145.04961	11.3
145.10104	10.1
147.08037	2.5
149.09633	26.6
157.07603	11.6
157.09717	9.4
158.06070	4.7
159.09157	5.1
163.03900	2.7
163.06041	6.1
163.07411	2.1
163.11198	10.9
165.09109	5.7
167.10657	14.2
173.09631	2.9
175.08710	15.0
179.45737	1.8
185.07109	5.6
185.09215	5.6
191.10677	26.6
209.11742	40.3
227.12794	100.0
241.10875	2.1
302.19019	9.2
366.14334	12.4
367.26929	1.8
387.16739	2.7
481.20911	1.8
568.23608	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	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01869	4.0
55.29426	1.9
61.02920	2.9
69.03421	9.1
69.40667	9.5
69.41093	8.7
69.90685	2.1
70.06584	5.6
71.42810	2.6
71.96703	1.9
79.05485	7.8
81.03407	9.0
81.07053	2.6
85.02489	2.2
85.02920	20.4
91.05485	4.8
92.42065	2.0
93.07048	2.2
95.04998	3.7
97.02882	8.9
102.87450	2.2
103.05468	4.7
105.07019	3.4
107.04962	8.3
109.02827	2.1
115.05460	13.3
117.07021	15.9
120.08101	2.4
122.03649	3.5
123.04455	3.6
124.05191	2.3
127.03918	3.5
128.75896	2.0
129.06985	10.6
131.04933	8.0
131.08585	4.3
137.05983	95.0
138.06345	4.6
143.04903	8.9
144.05682	6.2
145.05052	3.8
145.06493	27.4
146.03653	2.4
147.04404	7.4
153.05455	4.7
155.06081	2.6
156.05688	6.1
157.06450	7.4
158.07181	2.3
159.08058	7.1
160.05199	17.1
161.06007	4.8
163.03966	3.7
163.07564	4.6
167.07062	41.3
172.05208	4.8
173.05988	40.0
174.06746	2.5
175.07564	100.0
180.08658	6.6
185.58499	2.1
187.05913	2.1
187.07561	39.0
189.09164	5.1
190.06261	18.9
191.07159	2.7
193.08607	3.3
195.06409	2.5
202.06290	3.3
203.07050	7.9
205.08614	94.8
213.12828	2.1
217.08636	38.1
219.10100	2.2
233.09644	3.5
234.06793	2.7
235.07520	3.3
235.09676	39.0
247.09625	7.5
248.92682	2.1
249.09106	2.7
251.06982	2.8
261.09067	3.9
265.10773	24.3
266.09317	2.4
277.08679	2.8
285.07504	3.8
289.08505	2.5
293.11655	4.9
300.09894	8.6
301.10562	5.2
309.11322	3.6
321.11252	8.0
341.13843	7.0
353.13892	8.4
371.15021	18.2
399.35092	2.1
568.19934	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	568.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.01312	1.7
55.01870	3.6
61.02928	3.0
69.03422	5.8
69.73943	10.8
70.06594	5.8
75.89520	2.0
79.05497	5.6
81.03421	9.4
85.02908	20.1
91.04007	2.0
91.05474	7.0
94.04177	1.9
95.04977	2.0
97.02907	8.1
99.04488	2.4
103.05453	6.8
105.07066	3.2
106.04166	2.0
107.04971	9.0
109.02900	3.1
115.05473	11.2
117.07027	14.0
119.08624	1.8
122.03645	4.2
123.04428	2.7
124.05215	2.9
127.03917	4.6
128.06282	3.0
128.42145	1.9
129.07005	8.3
131.04944	8.2
131.08580	3.4
135.04355	2.1
137.05981	97.3
138.06340	5.7
143.04903	8.9
144.05676	4.6
145.05020	3.7
145.06488	30.0
147.04411	6.5
151.03914	4.5
153.05515	2.5
155.06000	4.6
156.05717	5.1
157.06493	7.4
159.08098	5.0
160.05269	14.0
161.05974	5.2
163.07553	4.0
167.07057	36.6
168.07326	4.1
172.05165	3.8
173.06001	45.3
175.07559	95.9
177.05388	3.0
180.08714	6.0
181.04951	4.9
181.06468	2.3
185.20799	2.0
187.07558	36.5
189.09131	8.5
190.06244	20.0
191.07013	3.8
199.08588	1.8
202.06216	2.5
203.07027	7.6
205.08615	100.0
217.08604	36.0
218.07072	2.1
219.10123	3.5
233.09662	2.2
235.09668	53.2
247.09732	9.7
249.09125	3.2
261.08984	3.7
265.10699	37.4
277.08664	3.7
285.07599	3.4
289.08911	2.3
293.11694	2.8
300.09891	7.5
301.10724	2.6
309.11328	3.8
321.11111	5.6
341.13831	8.4
353.13712	14.0
371.14853	22.3
491.62222	2.0
568.20062	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	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26664	1.7
54.54943	1.7
55.01880	2.2
57.03431	2.3
59.48021	1.6
61.02912	2.1
69.03428	6.8
69.95357	7.9
70.06582	7.0
79.05499	6.2
81.03429	10.0
81.07034	2.3
82.69958	1.8
83.04956	1.7
85.02917	16.6
91.05515	3.9
93.07043	3.4
94.04192	2.6
95.04949	1.9
97.02901	5.6
97.06507	2.2
98.20750	1.9
103.05459	2.8
105.07067	2.3
107.04987	8.7
109.02875	3.3
111.04378	2.1
115.05478	10.4
117.07031	15.2
119.04946	3.1
119.08591	2.0
121.10186	2.5
122.03651	3.4
127.03918	4.7
129.07010	8.2
131.04909	4.7
131.08539	3.8
135.11665	4.8
137.05980	73.8
138.05511	3.7
143.04938	6.8
144.05713	2.2
145.05115	2.7
145.06493	28.1
147.04393	4.8
147.08110	2.4
149.06035	2.3
155.06076	3.1
156.05641	3.6
157.06470	8.1
159.08099	4.1
160.05182	11.5
161.05957	6.0
163.03906	7.8
163.07533	2.6
167.07050	39.9
169.06409	1.9
172.05273	2.7
173.05989	39.5
175.07562	100.0
177.05544	2.1
177.09187	2.0
180.08691	4.8
187.07549	35.3
189.09167	5.5
190.06258	20.8
193.08675	2.3
199.00049	1.9
202.06221	4.0
203.07027	5.7
205.08617	89.0
217.08615	34.0
219.10141	4.1
227.08086	2.4
233.09702	3.0
235.09679	46.4
240.08917	3.1
241.09720	4.0
244.09563	4.2
247.09683	7.5
249.09172	2.5
261.09113	5.6
265.10724	34.5
277.08755	4.0
278.09546	2.1
279.10330	2.9
285.07687	2.0
293.11752	4.3
297.11191	4.9
299.10284	9.8
300.10056	6.7
301.10651	3.8
309.11166	3.3
313.11420	3.6
321.11063	5.1
329.13858	7.0
339.12381	1.8
341.13806	7.4
353.13901	11.3
371.14996	26.6
373.14099	14.5
482.42029	1.8
550.18372	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	567.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01867	6.6
55.05518	21.0
57.07056	2.8
60.84310	2.8
62.00261	2.5
62.50153	3.2
67.05514	15.5
68.99783	3.6
69.03445	19.2
69.07072	16.4
71.04978	4.7
71.58872	3.9
73.02921	5.6
79.05517	18.5
81.03419	26.3
81.07069	38.0
83.04977	10.0
83.08608	9.8
85.02914	40.3
87.00829	13.8
91.05480	30.2
93.07068	24.2
95.04965	9.9
95.08618	22.6
97.02914	15.9
99.04446	8.1
105.01871	7.9
105.07043	39.2
107.04999	4.2
107.08605	32.1
108.08079	5.1
109.02870	19.3
109.06505	6.9
109.10168	23.7
115.05403	2.9
117.01881	3.3
117.07007	8.6
119.04954	14.4
119.08595	24.4
121.06523	9.0
121.10160	15.3
123.04449	4.8
123.08095	4.5
123.11715	72.6
127.03931	33.9
129.07016	4.9
131.08566	14.7
133.10144	45.8
135.08051	9.8
135.11687	10.7
137.06015	3.9
137.09641	4.4
142.07777	5.5
143.08574	9.6
145.04926	9.1
145.10135	19.7
147.04431	46.3
147.08052	5.0
147.11684	11.2
149.09671	19.9
149.13251	5.1
151.11185	12.7
157.10197	15.5
159.02927	9.7
159.11671	13.2
161.09622	9.4
161.13266	8.2
163.03908	5.3
163.11223	7.8
165.05533	3.7
169.10068	3.8
169.12267	4.9
171.11684	8.4
173.09602	4.3
173.13274	16.5
175.11180	6.0
177.09076	7.1
181.10239	3.5
185.13237	12.5
187.14854	6.0
191.14346	8.1
199.14827	13.4
201.16455	5.5
203.14314	15.1
213.12755	3.2
213.16476	4.5
217.15939	4.4
221.15372	7.3
227.14285	4.7
231.05022	4.0
231.17436	8.0
237.95181	3.0
243.21046	4.2
245.15369	4.5
255.21056	23.8
271.20624	5.6
273.22098	4.1
283.20602	15.9
289.21320	3.3
301.21661	100.0
319.22705	28.7
395.09827	7.7
500.20441	3.7
519.25470	3.3
549.26508	9.6
567.25836	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.01874	1.8
61.02930	1.3
65.03947	2.4
69.03440	6.5
69.26788	7.2
79.05496	3.7
81.03419	3.6
81.07073	1.6
83.92986	1.0
85.02911	8.1
91.05482	2.3
94.04204	1.2
95.04979	1.0
97.02913	3.3
98.20785	2.2
99.04537	0.9
103.05479	1.4
107.04961	7.4
109.02886	1.0
109.06503	1.3
110.03655	1.1
111.04450	1.1
115.05485	2.6
117.07002	2.2
122.03647	2.5
123.04413	1.3
125.05993	2.2
127.03938	3.0
129.07014	4.1
131.04919	1.8
131.08592	1.3
133.06456	1.0
137.05983	35.5
143.04939	2.1
144.05774	1.0
145.06494	4.1
146.07257	1.0
147.04424	1.9
147.08113	2.0
149.05992	1.0
151.03918	6.7
151.04994	1.5
155.07050	1.4
157.06483	4.6
159.08075	1.2
161.06004	5.2
163.03888	1.3
164.07133	1.1
165.05478	1.2
167.07059	16.4
171.04437	2.2
172.05222	10.8
173.05960	3.5
174.06682	1.7
175.07607	4.0
181.04971	30.9
187.07594	4.9
189.05437	3.3
189.09135	4.0
190.06284	1.2
191.07039	1.9
195.06519	1.4
200.04706	4.7
201.05482	1.7
203.06982	5.8
205.08597	2.8
206.05629	1.2
207.10188	1.1
211.06151	1.6
218.05727	10.5
219.06380	1.3
219.08209	1.3
221.08144	2.8
233.08104	100.0
235.09596	2.2
245.07994	1.2
248.08275	1.1
249.09166	2.0
251.09198	3.5
263.06549	2.0
263.09183	28.4
263.11990	1.6
265.08746	1.1
276.07852	0.9
277.08691	3.0
279.10178	1.0
293.08163	2.3
294.08746	1.3
295.77817	0.9
297.11288	2.6
301.07034	1.4
309.11264	3.0
316.09464	1.7
322.08255	1.2
323.09277	1.4
325.10861	1.2
337.10730	3.7
341.14005	2.0
342.10962	1.6
343.11835	1.2
357.13425	5.5
358.15079	0.9
369.13409	5.1
371.14859	1.2
372.11890	1.4
378.18637	1.3
387.14404	63.1
388.14761	1.4
389.15738	1.7
405.15427	4.0
426.52606	1.0
471.97409	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	567.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01861	1.3
56.59041	0.7
57.03461	0.7
61.02925	1.4
65.03931	2.1
67.05505	0.8
69.03423	5.0
70.06622	0.7
73.02900	0.7
79.05491	3.0
81.03403	3.0
81.07082	1.0
85.02913	10.6
91.05479	1.9
93.03439	0.7
94.04192	1.7
95.04967	2.4
97.02885	3.5
103.05479	1.7
105.07026	0.8
106.88103	0.7
107.04970	6.1
109.02859	0.8
109.06532	1.2
115.05437	2.8
117.07025	2.4
122.03645	3.3
123.04420	2.4
125.06003	1.6
127.03909	2.9
128.06261	2.3
129.06995	5.4
131.04933	2.1
133.06490	2.0
135.04388	1.2
136.07584	1.5
137.05988	33.6
143.04932	2.0
144.05711	1.1
145.06503	4.6
147.04381	1.2
147.08037	1.4
151.03900	6.0
151.05009	1.4
151.07523	0.9
153.05479	1.4
155.07072	1.5
157.06505	3.8
159.08080	0.9
160.05237	1.0
161.05998	4.4
163.03935	2.2
164.07051	1.3
165.05461	1.1
167.07060	16.6
171.04449	1.8
171.06514	1.2
172.05215	11.4
173.05969	2.4
174.06816	2.0
175.07542	5.5
177.05490	1.2
181.04974	28.2
187.07550	2.9
189.05460	2.5
189.09100	5.0
190.06221	1.5
191.06985	1.7
195.06578	1.5
200.04726	6.7
201.05472	1.8
203.07030	6.5
203.08679	1.3
205.08598	3.0
218.05757	13.0
218.07677	1.0
219.06415	1.6
219.08273	1.1
221.07996	4.6
231.08173	1.2
233.08102	100.0
234.06540	1.0
234.08553	1.1
235.07411	1.1
235.09633	1.7
245.08176	1.5
247.07484	1.5
249.09120	3.0
251.09175	2.6
262.06223	1.3
263.06552	1.8
263.09198	28.7
265.08493	1.3
277.08676	3.3
279.06531	1.1
291.10162	1.7
293.08051	2.2
294.08679	1.2
297.11063	1.7
301.07019	1.0
305.08020	1.1
309.11270	3.3
314.07895	0.9
316.09521	1.4
322.08273	1.8
323.09158	1.2
325.10767	2.2
326.87582	0.8
337.10760	4.3
337.14297	0.9
341.13867	1.9
342.10986	1.2
343.11841	2.0
351.12308	1.1
354.10992	1.2
357.13385	5.5
369.13364	6.0
371.14890	1.6
375.14267	1.0
387.14420	59.9
388.14804	1.8
405.15344	3.9
549.73157	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	566.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
53.70457	0.7
55.01871	0.7
55.05502	1.0
57.03439	2.3
65.03958	0.7
67.05495	0.9
68.79642	0.6
69.03445	3.9
69.07062	0.8
69.32413	4.8
69.32833	1.6
70.06610	0.8
71.90428	0.6
78.74648	0.6
79.05508	5.4
81.03421	15.8
81.07066	1.6
83.04985	4.0
83.08616	0.9
85.02907	2.5
86.09695	0.7
87.51698	0.8
89.03917	0.7
91.04962	1.3
91.05489	16.4
93.07040	10.0
93.35305	0.6
95.04965	2.4
97.02911	5.8
97.06553	0.8
99.04478	1.3
100.11272	1.1
105.07041	2.7
107.04964	3.9
107.08593	7.5
109.02904	4.9
109.06553	0.9
111.04457	1.0
114.09193	0.8
115.05437	1.3
117.07024	100.0
118.07342	0.8
119.04945	4.3
119.08593	7.5
121.02882	1.9
121.06508	6.0
121.10157	2.1
123.04422	1.4
125.06009	1.6
127.03913	4.3
129.06992	1.0
131.08580	10.1
133.06450	0.8
133.10164	1.2
135.08064	16.1
137.05980	1.0
141.05504	1.2
142.08739	0.8
145.04932	1.7
145.06511	2.7
147.03352	1.3
147.04427	13.7
149.09621	11.3
153.05487	2.4
153.09119	1.5
159.08083	7.9
161.05989	1.6
162.01706	0.7
163.03914	1.5
163.07545	24.6
177.09122	24.0
177.10667	1.5
179.10698	1.1
181.08647	2.0
182.15463	1.4
184.07419	1.7
187.07590	1.6
195.10184	25.0
205.08612	12.2
210.14874	1.2
223.09671	25.2
225.07568	1.6
241.10722	54.8
242.11047	0.8
243.89081	0.7
267.07635	0.8
269.16422	0.7
295.11728	1.5
349.12854	5.0
367.13898	8.8
385.15036	6.4
399.12131	0.8
566.42963	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	566.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34990	0.4
68.05591	0.5
69.03442	0.4
71.59788	0.7
79.05486	1.0
86.09722	0.4
91.05495	0.8
93.07066	0.8
94.06586	0.9
96.08140	1.0
106.06561	0.9
108.08129	0.6
110.44676	0.4
120.04467	1.5
120.08089	0.5
122.12385	0.5
124.07646	2.2
134.06038	3.7
135.04372	0.4
135.25771	0.5
136.07581	0.8
148.07631	0.9
152.07094	12.1
154.08647	1.3
162.05524	0.5
163.03917	0.5
166.08687	1.7
170.08395	0.5
180.06564	2.9
184.07423	0.8
184.10037	0.5
194.08191	1.3
196.09732	0.9
197.10843	0.8
209.10738	1.0
211.08681	0.6
212.09482	1.4
213.10239	1.7
215.73364	0.5
223.08760	1.7
223.12285	0.6
224.09520	1.2
225.10234	3.2
226.11018	0.7
227.11787	0.5
235.08852	1.3
235.12233	0.5
236.09438	1.6
237.10242	6.4
238.10963	2.2
239.08229	3.4
239.11838	3.2
241.09726	1.1
244.13101	0.4
248.09366	0.9
249.10272	3.7
250.11041	1.4
251.08148	3.7
251.11832	5.2
252.08971	1.1
252.12601	1.1
253.09711	4.4
254.10664	0.8
261.10309	1.5
262.11139	0.7
263.08072	0.6
263.11960	1.8
263.57059	0.5
264.08780	0.7
265.09753	6.3
266.10486	1.6
267.08569	0.7
267.11279	5.4
271.10849	1.7
277.09857	2.0
278.10632	2.0
279.07730	2.6
279.11383	6.9
280.08789	0.6
280.12125	1.6
281.09375	1.9
281.12885	1.8
282.09943	0.9
283.10806	4.9
285.12506	0.7
289.09637	4.0
291.11273	0.9
293.09232	1.8
293.12946	2.5
294.10028	3.7
295.10822	4.3
295.14236	0.9
296.11691	1.6
297.08902	0.6
297.12283	1.2
298.09601	1.4
299.10382	3.3
299.13889	0.5
301.12039	1.3
302.13107	0.5
306.09821	0.6
307.10709	1.3
308.11597	0.9
309.12451	1.5
310.13187	1.0
311.10342	5.9
311.14038	1.3
312.11069	3.0
313.11948	1.0
314.12924	1.1
316.14230	0.6
318.16083	0.6
323.10461	1.0
323.13919	1.0
324.11230	1.5
325.11935	1.0
326.12662	3.9
327.13458	8.5
330.12360	0.6
330.15906	0.7
335.10330	5.0
339.13422	32.8
340.10599	1.9
340.14200	0.7
344.14139	0.7
346.15695	1.2
352.10812	1.2
353.11478	1.1
354.11972	4.2
354.15247	0.4
355.12909	8.6
356.13654	0.6
367.12924	15.3
368.13489	0.6
370.15375	0.8
372.13312	0.7
374.15030	1.3
386.14825	0.9
402.18454	0.7
404.16278	0.9
415.15433	0.6
430.17856	1.6
432.15302	0.8
434.16412	0.6
458.17102	0.7
461.15909	0.7
465.19293	0.6
474.16757	1.7
475.17178	0.5
488.18396	0.9
493.18597	2.3
502.16150	7.8
506.19333	7.0
534.18787	100.0
535.19122	4.0
566.21362	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	565.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.05514	14.0
57.07069	5.7
57.37935	1.8
67.05510	17.9
69.03441	4.1
69.07079	13.5
69.70576	11.0
70.17861	1.8
79.05492	17.4
81.03408	2.6
81.07076	24.5
83.02087	2.0
83.04980	4.9
83.08633	9.0
83.87651	1.9
85.06542	3.4
86.05310	2.0
91.05489	25.5
91.09154	1.9
93.07059	33.9
95.04974	8.3
95.08620	23.2
97.02901	2.4
97.06538	4.4
97.10186	4.6
98.20785	2.8
102.03056	1.8
103.05537	2.3
105.07048	36.2
107.08600	23.0
109.02903	3.1
109.06535	4.8
109.10185	14.4
111.04493	2.9
111.08116	1.8
114.80975	2.0
115.05479	3.8
116.06234	2.7
117.07008	9.3
119.08606	44.9
121.06518	2.0
121.10157	39.5
123.08070	6.6
123.11733	7.3
123.36983	1.9
128.06239	7.1
129.07031	10.0
131.08566	20.6
131.95346	1.8
133.10139	29.7
135.08093	3.8
135.11725	13.0
137.09648	4.4
141.06998	5.4
142.07817	12.5
143.08580	20.4
144.09361	3.6
145.06488	2.6
145.10153	33.1
147.08043	5.2
147.11720	8.5
149.09592	9.2
149.13344	3.6
151.07616	2.3
153.07047	3.1
155.08574	9.2
156.09386	11.0
157.10147	30.0
158.10931	5.6
159.08099	4.8
159.11731	14.9
161.09665	2.5
161.13269	4.4
163.11195	2.9
165.06996	4.9
165.09074	11.8
167.08577	4.3
167.10710	17.7
168.09396	4.3
169.10164	16.3
170.10944	4.8
171.11705	18.0
173.13258	17.5
175.14828	4.3
178.07747	2.6
179.08592	8.2
180.09340	3.6
181.10194	7.5
181.12347	2.9
182.10976	6.7
183.11728	15.0
185.13261	13.8
187.11177	2.1
187.14835	7.4
189.12718	3.8
191.00101	2.7
191.08713	2.8
192.09312	2.6
193.10168	8.7
194.10959	7.2
195.11739	12.9
196.12517	3.7
197.13292	13.6
199.14870	12.8
201.16493	3.6
206.10916	5.2
207.11688	15.8
207.13602	3.4
208.12474	4.3
209.13295	14.3
210.13913	3.6
211.14836	10.5
213.16460	5.1
215.14284	2.9
217.10205	3.1
218.10927	2.8
219.11812	4.1
220.12405	2.2
221.13290	12.6
221.15424	13.1
222.14064	3.2
223.14870	12.0
225.12860	2.0
225.16248	2.6
230.10847	2.5
231.11737	4.5
232.12445	3.6
233.13271	7.2
233.15425	7.9
235.14832	8.6
237.16475	5.1
239.17986	3.7
245.13353	5.9
246.14201	3.7
247.14914	6.8
248.15689	4.6
249.16571	2.7
251.18039	6.9
259.14856	2.9
260.15530	2.7
261.16418	5.9
263.17996	5.2
265.19614	7.1
271.14838	3.7
273.16406	4.1
275.18033	4.8
277.19559	5.9
281.29697	1.9
283.14850	2.3
286.83932	2.4
289.19708	3.2
298.91898	2.4
299.17841	2.2
301.19641	3.1
310.31042	2.3
329.22668	4.3
331.24225	3.2
343.24213	3.0
357.25778	3.7
473.33902	4.6
509.34537	3.1
547.39276	12.5
565.31598	4.3
565.40417	100.0
580.24646	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	565.4042
Annotation	28380-31-6
Peak:m/z	Relative Intensity
51.02383	1.5
53.03941	3.3
55.05515	7.5
57.07067	4.3
62.42469	1.0
63.55218	1.1
63.71602	0.9
64.42162	1.0
65.03948	1.3
66.97762	1.1
67.05509	13.9
69.03425	3.1
69.07076	8.9
71.05903	2.3
71.06220	1.0
79.05494	12.7
81.07062	20.6
83.04971	4.1
83.08604	3.6
85.06528	2.2
91.05478	23.6
93.07051	24.5
95.04967	7.4
95.08607	18.3
97.06530	3.8
97.10147	1.4
103.05437	1.7
104.06299	1.2
105.07037	41.1
107.08601	24.9
109.06521	3.5
109.10157	12.7
111.08113	1.7
113.09638	1.3
115.05453	2.7
117.07011	8.6
119.08579	44.1
121.06473	3.0
121.10147	35.3
123.08053	6.2
123.11700	4.9
125.06019	2.1
125.09645	2.0
128.06209	5.2
129.07021	9.8
130.07799	2.6
131.08572	18.5
133.10135	29.6
135.08067	3.4
135.11703	11.5
137.09630	4.9
139.11134	1.5
141.06975	5.5
142.07793	12.2
143.08562	19.3
144.09360	3.1
145.10124	28.4
147.08008	5.7
147.11667	9.8
149.09608	5.3
149.13232	1.3
151.07555	3.2
151.11139	1.1
152.06335	1.3
153.07042	2.9
154.07753	1.4
155.08563	9.0
155.10687	1.2
156.09348	8.3
157.10135	30.0
158.10901	2.8
159.08057	3.6
159.11694	17.1
161.09660	2.8
161.13306	4.0
163.11192	3.6
165.07011	4.6
165.09137	8.8
166.07822	2.7
167.08632	5.6
167.10657	15.3
168.09340	4.5
169.10143	16.7
170.10934	3.9
171.11697	19.1
173.13266	15.6
175.11201	1.6
175.14854	4.9
179.08522	7.2
180.09375	4.3
181.10129	8.1
181.12251	2.8
182.10922	5.7
183.11717	13.9
184.12534	2.5
184.65271	1.0
185.13271	14.5
187.11284	1.2
187.14854	6.0
189.12801	2.5
191.10837	1.1
191.14339	2.0
192.09348	2.9
193.10136	9.3
194.10870	6.9
195.11725	12.9
196.12456	3.0
197.13255	13.0
199.11104	1.2
199.14857	9.5
201.12776	2.0
201.16454	4.4
203.08455	1.4
203.14366	3.9
205.10153	3.5
205.15875	1.2
206.10942	4.1
207.11740	9.9
207.13728	3.1
208.12531	4.2
209.13280	16.1
209.15140	2.3
210.13945	1.8
211.14810	7.8
213.12732	1.8
213.16402	4.9
215.14468	1.9
217.10187	3.4
217.15927	2.5
218.10957	1.7
219.11725	4.6
220.12534	3.7
221.13274	10.7
221.15414	15.8
222.14082	4.0
223.11284	1.3
223.14781	9.7
225.12686	1.3
225.16431	5.0
227.14357	1.5
229.10011	1.1
229.15584	1.2
230.10788	1.6
231.11768	4.0
231.17477	1.3
232.12508	3.5
233.13252	5.4
233.15424	6.0
234.14090	1.7
235.14783	7.4
236.15611	2.1
237.16393	6.0
239.17996	3.3
241.19812	1.5
242.10791	1.6
243.11755	2.7
244.12704	1.3
245.13300	6.0
246.14081	2.3
247.14796	5.3
247.17064	1.9
248.15692	2.0
249.16406	4.4
251.14497	1.6
251.18048	5.5
253.19533	3.0
257.13287	2.8
257.19077	2.0
258.14130	2.0
259.14908	3.7
260.15677	2.5
261.16302	5.2
263.18027	5.4
265.19479	5.5
269.18994	1.1
271.14832	3.5
273.16446	4.3
275.18005	4.3
277.19608	4.6
279.21133	3.5
281.19125	1.6
283.20529	1.6
285.16174	1.6
289.19522	5.0
291.17667	1.3
295.20590	2.6
299.17838	2.4
303.21179	2.1
305.22482	1.8
307.20648	2.2
315.21271	1.5
327.21075	1.4
329.22852	1.9
331.24146	2.4
333.22131	1.4
343.24280	2.6
347.23917	2.3
355.23984	2.0
357.25873	3.7
361.25589	1.2
365.24850	3.3
373.25320	2.2
385.28961	2.4
412.27768	1.5
425.28287	2.0
473.34308	7.5
485.34219	1.9
509.34567	1.6
529.38342	1.6
547.39307	16.9
565.40430	100.0
566.40344	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	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
54.95325	1.2
55.05508	7.9
55.78296	1.2
57.07078	5.5
59.05006	2.1
65.03941	4.1
67.05505	18.3
69.03426	4.2
69.07082	12.0
79.05499	17.8
81.07063	18.4
83.04975	3.7
83.08616	6.0
85.06539	2.1
91.05487	29.9
93.07049	33.4
93.07627	1.8
95.04955	6.5
95.08611	26.0
97.06536	1.9
98.21120	8.8
103.05453	3.2
105.07037	50.5
107.04890	1.4
107.08604	28.9
109.06535	6.1
109.10168	16.7
111.08106	1.9
115.05470	4.3
117.07053	9.3
119.08588	50.3
121.06499	2.5
121.10151	34.1
123.08083	10.1
123.11747	5.4
125.06038	2.6
128.06265	7.6
129.07016	8.8
130.07782	4.8
131.08583	19.4
133.10139	30.7
135.08090	5.4
135.11720	10.8
137.09621	8.1
141.07039	4.9
142.07800	15.0
143.08563	26.3
144.09360	4.4
145.06544	2.2
145.10133	32.1
147.08073	10.8
147.11699	10.5
149.09608	2.5
149.13332	1.6
151.07516	8.8
151.14825	1.3
153.07021	3.1
154.07809	2.0
155.08554	11.1
156.09357	12.3
157.10138	33.9
158.10887	3.7
159.08229	2.0
159.11714	14.7
161.09706	3.4
161.13292	5.8
163.11195	4.7
163.14908	1.6
165.07008	5.4
165.09126	20.5
166.07805	3.5
167.08598	7.8
167.10718	4.4
168.09372	4.3
169.10138	21.2
170.10939	4.7
171.11710	19.8
173.09680	3.5
173.13274	17.5
175.11282	1.6
175.14856	6.0
179.08607	9.0
180.09360	4.0
181.10118	12.3
181.12283	4.6
182.10982	6.1
183.11700	14.6
184.12503	1.9
185.13280	15.3
187.14877	4.2
189.12814	3.3
191.08818	1.8
191.14305	1.6
192.09395	5.8
193.10155	10.9
194.10953	8.1
195.11722	19.2
196.12595	3.5
197.13260	12.8
198.14061	1.7
199.14830	10.5
201.16371	2.2
203.14325	8.7
204.59813	1.8
205.10085	3.3
206.10974	6.9
207.11760	15.3
207.13867	4.2
208.12549	5.8
209.13278	19.4
210.14047	1.9
211.14761	9.7
213.16383	3.1
215.14386	2.1
216.09399	1.6
217.16022	2.2
218.10899	2.1
219.11740	5.9
220.12521	4.7
221.13290	12.5
221.15427	41.5
222.14143	2.0
223.14807	11.3
225.12817	1.4
225.16399	4.3
229.10275	2.1
230.11049	3.1
231.11742	4.7
232.12465	2.7
233.13284	8.7
233.15424	3.8
234.14087	3.4
235.14818	8.3
236.15700	2.2
237.16383	6.7
239.17931	6.7
243.11749	3.3
244.12500	2.1
245.13399	6.4
246.14070	3.6
247.14864	6.3
247.17088	2.8
248.15620	3.1
249.16267	3.8
250.17172	1.8
251.18036	4.8
253.19464	3.8
257.13409	2.7
257.18784	1.4
258.13983	2.6
259.14871	5.2
260.15735	3.2
261.16434	3.9
262.17337	1.6
263.17899	6.3
265.19604	7.6
270.14120	1.7
271.14893	2.7
272.15723	1.6
273.16345	2.9
274.17197	2.8
275.18021	4.3
277.19626	3.8
279.18054	1.3
279.21155	4.3
282.27951	3.4
285.16373	2.4
287.17889	2.7
289.19403	3.2
291.21017	2.7
295.20541	2.1
297.16339	1.5
299.17801	2.5
301.19370	1.7
310.30994	2.7
315.21149	2.3
321.22098	2.5
329.22632	2.2
331.24323	4.7
333.22198	1.7
337.19601	1.9
343.24213	2.6
347.23813	1.6
357.25748	7.3
385.29129	4.3
465.31488	1.7
473.33997	11.4
485.34338	3.3
509.34238	2.1
547.39532	10.5
565.40448	100.0
566.40753	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	565.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91670	0.8
69.03418	2.2
69.43159	5.7
74.64064	0.7
81.03400	2.4
81.51256	0.7
85.02903	2.2
89.03922	5.0
91.05509	0.9
97.02898	1.0
103.03376	0.6
109.02856	1.8
117.03386	16.1
121.10120	0.8
125.06910	0.7
127.03915	1.0
134.03709	1.5
135.04401	1.4
145.02855	48.5
147.04329	1.1
149.05981	6.8
163.03976	1.0
167.10837	0.8
177.05484	100.0
178.05910	0.9
195.06525	1.5
209.11703	0.8
321.09686	3.0
337.82950	0.7
339.10779	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	565.1918
Annotation	Cascaroside C
Peak:m/z	Relative Intensity
50.30574	1.2
52.35501	1.1
53.03944	4.5
53.27463	1.2
55.01876	18.3
56.73714	1.1
57.03438	2.7
61.02929	6.7
65.03941	4.4
67.05510	1.7
69.03437	17.2
71.04982	2.1
71.20056	1.7
73.02934	2.6
79.05483	7.1
81.03426	9.3
81.07054	2.6
84.38174	1.3
85.02913	19.0
87.04457	3.0
91.05490	5.8
94.04212	3.1
94.54405	1.2
95.05003	1.6
97.02900	11.2
103.05477	15.2
105.07048	4.2
107.04962	13.2
107.90568	1.3
109.02882	2.5
111.04477	2.2
112.98022	1.1
115.05444	8.0
117.03416	1.7
117.07003	6.2
119.04972	1.6
119.08578	1.8
121.06457	2.1
122.03683	6.5
122.25631	1.1
123.04459	3.6
123.89012	1.1
124.05254	1.5
124.07631	1.5
125.05967	2.2
127.03960	5.0
131.04938	41.7
131.54533	1.2
133.06505	4.4
135.04456	2.5
136.07582	16.2
137.05984	100.0
143.04977	5.0
145.05452	1.4
145.06485	10.6
147.04482	1.6
147.08110	4.3
148.05205	1.8
149.06096	1.9
151.03915	13.7
152.07104	3.5
153.05475	2.4
155.07137	1.6
155.17604	1.3
159.04346	2.6
160.05241	4.9
161.05968	9.7
163.03932	2.9
163.07553	18.7
164.07076	15.4
167.07042	40.3
171.04395	8.0
171.06573	1.8
173.06018	7.7
175.03883	1.6
175.07549	10.6
177.05478	7.1
179.07100	2.2
181.04968	43.8
183.06448	1.3
188.07082	1.9
189.05487	2.4
191.07047	8.6
193.08659	2.0
194.05789	1.6
201.05435	2.5
203.07050	14.8
205.08571	10.1
207.06590	3.6
209.08154	2.6
219.06540	4.3
221.08109	4.8
223.09718	4.1
233.08061	8.8
235.09741	7.1
249.07613	2.1
251.09166	31.5
255.48698	1.3
262.11725	1.4
287.14047	5.9
289.10724	8.2
301.10748	1.8
307.09583	1.6
343.11877	1.5
347.15970	1.8
355.11920	1.9
357.13263	11.9
373.13037	10.0
385.12830	12.6
387.14417	9.2
403.13934	30.5
403.18942	2.5
565.19196	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01623	1.2
55.01875	18.0
57.03428	3.1
57.67669	0.7
61.02933	4.7
65.03942	2.6
66.04733	0.8
67.05481	1.3
69.03432	13.8
69.79005	2.8
71.01344	0.7
71.04974	0.7
73.02908	2.4
74.92747	0.7
78.04701	0.7
79.05504	5.6
81.03412	6.5
81.07051	1.6
82.04198	0.8
83.01337	1.3
85.02416	1.3
85.02912	18.4
87.04469	2.4
91.03943	1.3
91.05481	4.4
93.03416	1.4
94.04192	3.5
95.04958	2.6
97.02893	13.1
97.06528	1.5
99.04425	2.0
103.05480	19.3
105.07022	2.8
107.04967	12.7
109.02876	3.0
110.03683	1.6
111.04471	1.3
115.05468	9.8
117.07016	6.6
119.08572	1.0
121.06487	1.3
122.03655	6.8
123.04428	1.3
124.05202	2.0
125.06023	2.0
127.03941	3.4
129.07010	1.5
131.04932	40.7
132.05708	1.8
133.06505	4.5
135.04465	1.0
137.05983	100.0
138.06331	0.9
140.04684	0.9
142.02678	0.9
143.04938	3.6
145.04933	1.4
145.06505	10.7
147.04428	1.6
147.08043	2.5
149.05977	2.0
151.03929	13.0
151.05051	1.0
153.05537	1.8
155.06027	1.8
159.04469	2.6
160.05188	2.7
161.05983	11.1
163.03937	2.1
163.07559	18.6
165.05505	0.8
167.07056	39.5
171.04404	6.4
171.06575	2.0
172.05290	1.1
173.05977	7.4
175.04037	1.0
175.07558	6.1
176.04599	1.2
177.05457	6.7
177.09247	1.2
179.07040	1.7
181.04971	39.2
187.07635	1.0
189.05511	2.9
190.06152	1.5
191.07008	9.2
193.08873	1.0
194.05768	1.2
195.06404	0.9
196.07239	0.8
199.03906	1.2
201.05460	1.8
203.07034	15.0
205.08641	6.5
207.06523	4.4
207.10092	0.9
208.07355	1.4
209.08147	3.5
215.07066	0.8
217.08710	1.0
219.06480	3.4
221.08109	4.8
223.09709	2.6
231.06514	1.5
231.81696	0.8
233.08086	7.8
235.09764	4.3
249.07593	1.4
251.09175	25.9
261.07571	1.1
263.09219	1.5
265.08585	0.8
289.10657	7.6
295.09885	0.8
299.56543	0.8
301.10681	0.9
307.09702	0.9
311.09097	0.8
311.58887	0.8
329.10327	1.5
343.11816	1.5
355.11963	1.3
357.13324	9.7
373.12820	9.7
385.12747	9.5
387.14340	6.6
393.13467	0.7
403.13940	23.2
534.90851	0.8
565.19128	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.9
55.01873	9.2
55.05516	29.8
57.03432	8.1
57.07074	6.6
65.03952	5.4
67.05508	100.0
68.29464	2.2
69.03428	4.2
69.07069	26.4
70.68266	5.9
71.04998	3.8
79.05501	56.1
81.03415	21.2
81.06580	4.9
81.07064	99.3
83.04965	18.0
83.08621	24.1
85.02899	8.3
85.06539	5.3
91.05485	50.3
91.06017	4.7
93.07056	61.1
94.07825	2.7
95.04968	12.6
95.08614	61.0
97.06520	12.6
97.10190	14.9
97.37419	2.6
99.08125	3.3
105.07033	43.8
107.04979	6.6
107.08607	38.0
109.06528	8.8
109.10158	34.7
111.04456	10.6
111.08102	6.1
111.11758	2.6
117.07048	10.7
119.08597	36.5
121.06520	2.9
121.10152	40.9
123.08087	4.3
123.11761	13.3
125.09647	10.1
129.07042	11.2
131.08586	32.8
133.10153	37.9
135.08127	3.8
135.11693	27.5
137.09657	3.8
137.13274	3.2
141.06992	3.0
142.07823	3.5
143.08554	17.9
145.10129	27.8
147.08057	2.7
147.11717	21.4
149.09622	6.0
149.13277	14.1
151.11189	4.5
153.12808	6.6
155.08623	10.1
156.09358	3.1
157.10121	19.0
159.08057	2.9
159.11714	18.1
161.13315	7.8
163.04036	3.1
163.11211	9.1
163.14893	3.5
163.40294	2.4
165.12769	4.0
167.08572	6.3
169.10143	9.8
171.11661	12.2
172.30128	3.1
173.09666	3.9
173.13284	11.3
175.11150	4.5
175.14836	5.1
177.12836	3.5
177.16397	5.3
179.08653	3.7
181.10158	9.0
181.12251	8.7
183.11699	12.1
185.13307	5.8
187.14812	8.5
189.11197	6.5
191.10796	6.5
193.10309	5.6
193.12288	16.3
195.11703	8.0
197.13283	8.9
199.14857	8.0
201.16580	3.1
206.10890	3.6
206.19066	2.5
207.11868	4.5
209.11600	3.2
209.13397	6.0
211.11617	2.7
211.13162	15.4
211.14925	6.3
213.16405	3.9
221.13210	5.4
223.14847	7.0
225.16440	5.4
227.12685	11.9
229.14357	3.4
233.13243	4.5
235.14830	3.1
237.16318	5.4
247.14841	2.6
253.19684	3.0
261.22174	12.3
263.24109	2.9
267.15958	4.3
283.15359	5.3
285.17004	8.5
285.22168	4.2
303.23123	6.0
317.24716	3.6
335.25900	19.5
435.32578	10.3
453.33566	10.4
471.34610	7.1
489.37167	9.7
501.34854	2.5
507.38208	6.2
527.37360	17.3
545.38446	47.5
551.48395	3.4
563.23932	2.9
563.40259	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	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01859	9.9
55.05515	42.1
57.03426	9.5
59.04968	4.1
67.05171	5.5
67.05507	92.0
69.07079	31.0
69.30262	20.5
69.30687	11.4
71.04985	6.2
77.34330	3.2
79.05077	3.3
79.05503	56.3
81.03423	25.4
81.07061	100.0
83.04975	18.1
83.08633	29.2
85.02893	7.7
85.06536	7.7
91.05487	66.5
93.07052	68.3
95.04966	26.8
95.08608	63.5
97.06548	14.9
97.10146	19.8
99.04460	4.1
105.07040	47.6
107.04934	7.6
107.08600	46.8
109.06528	7.0
109.10169	40.9
111.04414	10.4
111.08057	12.4
117.07021	16.2
119.08573	53.3
119.10349	3.2
121.06471	4.6
121.10144	39.6
123.08047	6.6
123.11697	15.5
125.09644	15.4
128.06187	6.0
129.06996	14.0
131.08580	32.6
133.10150	40.5
135.08061	7.1
135.11693	23.0
143.08557	15.1
145.10117	21.9
147.08144	3.8
147.11667	23.4
149.09613	5.2
149.13248	13.9
153.12737	4.8
155.08528	9.5
157.10155	22.0
159.11710	19.3
161.09558	4.2
161.13310	12.2
163.11166	12.9
163.14868	5.8
165.12794	4.1
167.08675	3.7
168.09364	3.9
169.10121	11.6
171.11676	10.6
173.13216	18.5
175.11095	4.3
175.14825	4.7
177.12788	3.6
181.10220	6.9
181.12218	7.0
183.11693	8.4
185.13248	10.3
187.14792	7.9
188.27710	3.3
189.11179	4.6
189.12717	3.4
191.10597	9.9
193.12195	21.8
195.11707	5.8
197.13310	6.8
207.11568	4.6
209.13164	7.1
211.13220	24.8
211.14987	3.6
227.12746	10.6
229.14192	4.2
235.14798	4.4
243.20979	4.7
261.22095	12.5
267.15604	5.3
283.15302	9.2
285.16989	14.5
285.22110	4.6
299.23709	5.6
303.23279	4.7
335.25787	13.1
359.25839	4.4
435.32581	8.9
453.33630	11.5
471.34564	9.9
487.34363	4.3
509.36554	4.9
527.37268	29.5
543.76630	3.5
545.38281	63.8
563.39087	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	563.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
63.02377	0.5
67.05495	1.2
69.03429	1.1
69.89262	3.1
81.03443	2.8
81.07057	1.0
82.84478	0.5
85.02892	1.2
89.03920	5.3
91.05500	0.9
93.07059	0.6
97.02864	0.9
99.04446	0.8
103.05436	0.7
105.07040	1.2
105.23650	0.5
107.08590	2.0
109.02900	1.5
117.03391	16.0
119.04934	0.6
119.08588	1.0
121.10063	0.6
123.08115	0.8
126.16586	0.6
127.03944	0.8
132.98451	0.5
134.03630	1.2
135.04417	1.9
137.06010	0.5
137.09641	1.7
145.02858	48.2
147.04430	2.5
147.11659	0.6
149.05986	6.8
163.03897	2.2
164.69896	0.6
177.05487	100.0
186.05505	1.4
189.12819	0.7
193.58745	0.6
195.06570	1.8
198.11290	0.8
199.11676	0.7
243.04128	0.8
271.05945	1.4
315.19846	1.4
321.09839	3.2
339.10715	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	563.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12018	0.6
53.03941	0.9
55.05502	0.9
57.03429	0.9
57.74874	0.5
59.41775	0.5
67.05502	1.0
69.03414	2.3
71.04992	3.5
71.47104	0.5
71.58384	0.9
72.08141	0.9
79.05499	0.8
81.03422	3.6
81.07066	0.8
85.02900	5.0
89.03922	5.7
91.05475	2.5
93.07032	1.8
95.04956	1.3
95.08604	1.0
97.02885	2.3
103.05445	0.7
105.07020	2.5
107.04971	0.7
107.08588	2.1
109.02895	2.0
109.06506	0.7
109.10133	1.2
117.03398	17.5
117.07026	2.4
119.04995	3.0
119.08586	4.5
120.08104	0.6
121.06529	0.8
123.08054	2.7
127.03907	0.9
131.08569	0.9
134.03642	1.3
135.04422	2.0
135.08049	1.0
137.09622	1.5
139.80969	0.5
144.09279	0.7
145.02855	46.7
147.04430	12.5
147.08101	0.6
147.11684	2.5
149.05995	6.0
149.09718	0.6
159.11693	1.8
161.13274	0.9
163.03928	12.1
165.01967	0.6
177.05484	100.0
178.05782	1.1
186.05550	0.7
189.12740	1.3
195.06503	2.5
198.11313	1.2
199.11493	0.9
207.13832	4.6
216.12344	0.8
217.12657	0.8
223.20479	0.5
251.07080	0.7
265.08636	0.7
267.06567	6.4
268.07397	0.8
293.08017	1.2
295.05994	0.7
297.07571	7.0
307.09558	0.7
321.07349	2.1
321.09967	2.2
333.07617	0.6
339.10837	6.3
351.08542	2.4
363.08649	1.4
381.09668	1.6
395.09744	1.3
399.10654	3.4
404.25269	0.6
417.11887	4.4
563.20258	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	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.8
55.05509	42.4
56.96815	4.8
57.03430	10.6
57.07066	8.7
58.92823	5.5
66.58503	5.4
67.05512	100.0
67.85489	4.5
69.07075	30.3
71.04980	4.9
71.59469	6.1
73.93675	4.7
79.05062	6.9
79.05499	89.6
81.03409	10.9
81.07061	84.8
83.04989	13.3
83.08636	21.3
85.83817	4.7
86.16805	5.7
91.05499	74.7
92.95304	4.5
93.07050	82.5
95.04969	17.6
95.08616	69.5
97.06551	7.4
97.10207	6.3
101.77176	5.1
102.84167	5.0
105.07047	46.2
105.85331	4.9
107.04953	6.9
107.05761	4.6
107.08604	22.1
109.10165	21.3
117.07005	7.8
119.08570	24.4
121.10165	11.2
121.35354	4.3
123.08065	6.2
123.11710	4.8
129.07018	13.4
133.10139	16.0
135.11717	11.1
140.56458	4.9
145.10110	13.8
147.07906	4.6
147.11678	48.0
149.13214	7.4
152.93890	5.2
161.13277	19.3
171.11703	27.9
189.12798	11.3
207.13870	25.2
208.64963	5.5
263.23773	6.7
281.17529	58.8
337.27390	67.3
543.40424	69.8
561.37225	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01887	10.4
55.05518	45.0
57.03434	9.1
57.07079	3.5
59.04998	2.1
65.03939	5.8
67.05510	75.0
69.03445	5.5
69.07085	16.5
71.04980	6.4
77.00598	5.3
79.05059	3.0
79.05504	54.0
81.03426	14.3
81.06581	3.7
81.07062	73.0
83.04990	21.4
83.08618	27.1
85.02938	4.0
85.06542	3.9
89.06001	1.9
91.05485	51.0
91.89148	1.8
93.07050	57.4
95.01645	22.0
95.04994	15.5
95.08608	46.0
95.09167	4.2
97.06536	8.9
97.10184	35.0
99.04446	2.5
99.08089	3.1
105.07036	46.0
107.04953	6.0
107.08604	44.2
109.06525	8.3
109.10172	26.5
111.04475	11.2
111.08086	6.8
115.05479	2.6
117.07020	28.3
119.08584	37.8
121.06500	4.5
121.10164	26.6
123.08074	4.1
123.11711	11.5
125.09657	27.0
129.07034	13.4
131.08569	37.5
133.06528	4.4
133.10153	23.9
135.08057	7.9
135.11699	21.6
137.09637	3.7
137.13242	3.5
143.08580	15.1
145.06654	6.2
145.10133	34.6
147.04735	13.6
147.08046	3.8
147.11687	21.2
149.09624	6.4
149.13248	9.4
151.11195	2.9
153.12759	9.2
155.08562	8.1
157.10175	13.3
159.11702	18.4
161.09721	3.6
161.13280	10.6
163.11166	16.2
169.10147	10.1
171.11667	10.7
173.09610	4.4
173.13300	12.9
175.11189	2.9
175.14844	6.9
177.12729	3.1
181.10225	3.0
181.12236	5.8
183.11708	8.1
185.13252	8.7
187.14835	7.5
189.09503	3.7
189.11224	21.5
191.07326	4.5
191.10678	7.7
191.14409	2.9
193.12262	7.3
195.11693	3.7
197.13301	3.1
199.14822	6.9
201.12666	2.5
201.16486	3.1
203.14348	2.4
209.11723	6.1
211.13385	3.7
221.15491	2.3
227.12791	41.2
257.18851	2.4
259.20627	4.6
261.22137	15.7
267.15790	3.6
277.14047	2.3
277.21643	3.7
279.23343	3.4
281.22873	2.9
283.15433	20.4
299.23737	22.7
301.21725	5.7
317.24747	11.9
335.25873	10.2
366.10248	2.6
423.32288	2.9
433.30838	6.9
451.32175	15.2
469.33063	19.2
487.34113	11.4
515.37048	5.3
525.35797	23.8
543.36884	100.0
561.37921	60.0
562.37952	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	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01863	8.6
55.05516	45.7
57.03436	7.2
57.07066	3.7
59.04994	2.7
65.03950	4.2
65.41914	1.8
67.05509	75.0
68.23608	2.0
69.03419	4.3
69.07072	18.9
69.95795	4.1
69.96208	8.0
71.04982	4.4
71.08624	2.7
79.05061	3.8
79.05498	51.0
79.15572	1.8
79.57890	1.7
81.03428	11.9
81.07062	71.7
83.04980	11.8
83.08624	22.4
85.02888	2.4
85.06532	6.2
91.04959	3.9
91.05484	44.7
93.07049	57.8
95.04999	11.1
95.05471	2.0
95.07965	2.2
95.08608	44.8
97.06527	9.0
97.10172	34.1
99.04436	3.5
99.08107	2.4
105.07037	37.7
107.04955	7.2
107.08605	39.1
109.06491	6.8
109.10158	27.2
111.04433	9.2
111.08064	8.2
115.05474	2.0
117.07034	19.3
119.08583	31.7
121.06493	5.7
121.10157	19.7
123.08075	5.3
123.11729	9.9
125.09624	24.5
128.06255	2.8
129.06985	14.2
131.08572	33.9
133.06468	3.7
133.10158	23.2
135.08035	8.1
135.11702	16.5
137.13333	2.2
139.11209	3.3
141.07025	2.7
142.07841	2.2
143.08553	13.4
145.10126	27.3
147.11722	16.5
149.09673	3.9
149.13281	5.6
153.09119	2.0
153.12732	6.8
155.08533	7.6
157.10114	12.3
159.11707	16.0
161.13263	9.2
163.11214	13.9
163.14818	5.7
169.10138	5.2
171.10342	3.7
171.11670	14.4
173.09648	2.8
173.13237	13.3
175.11124	3.0
175.14850	4.1
181.09956	3.0
181.12227	5.9
183.11676	7.5
185.13228	5.5
187.14833	5.3
189.11224	19.4
189.12773	4.2
189.16252	2.3
191.10663	5.8
193.12230	2.5
195.11693	3.5
197.13283	3.8
199.14798	5.8
201.16336	4.9
209.11720	4.4
211.14905	3.6
213.16409	3.3
217.15941	2.8
225.16385	4.0
225.68927	2.2
227.12793	31.0
235.14674	2.3
241.19672	3.1
243.21159	3.3
245.13722	3.7
259.20581	6.0
261.22113	20.3
267.15741	2.4
273.22012	3.2
277.21722	4.0
283.15442	18.6
283.20511	3.4
285.16995	2.6
299.23679	23.4
301.17953	3.2
301.21594	7.3
315.23245	4.6
317.24741	19.4
333.24203	6.9
335.25842	13.3
355.26309	3.1
380.54013	2.5
393.55334	2.3
400.47049	2.6
423.32443	2.8
433.31055	9.2
451.31995	15.0
469.33142	14.6
487.34064	13.1
507.34515	4.1
515.37305	6.1
525.29456	2.7
525.35822	24.6
533.37659	3.0
543.36804	100.0
544.37311	2.1
561.38037	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01877	8.7
55.05260	3.7
55.05514	49.2
57.03432	9.0
65.03946	3.9
67.05509	78.1
69.03432	4.8
69.07069	23.6
71.04987	6.7
79.05497	51.0
81.03430	13.2
81.07063	71.2
83.04993	15.6
83.08633	24.0
85.02894	3.3
85.06586	2.7
91.05492	44.0
93.07049	55.4
95.04986	16.5
95.08611	48.0
97.02888	2.1
97.06542	7.2
97.10177	31.2
98.20782	5.7
99.08125	2.1
103.26437	2.0
105.07037	39.5
107.04990	5.1
107.08604	38.3
109.06528	7.4
109.10165	28.7
111.04440	7.6
111.08086	7.7
111.26478	2.2
117.07023	23.4
119.08592	32.5
121.06491	6.6
121.10156	22.0
123.08097	4.4
123.11749	9.7
125.09643	25.9
128.06233	2.6
129.06989	12.4
130.07750	2.8
131.08589	35.0
133.06534	5.0
133.10127	26.6
135.08061	7.6
135.11710	25.9
137.09639	2.8
143.08566	11.6
145.06506	3.6
145.10136	33.5
147.08069	2.9
147.11714	15.5
149.09651	4.2
149.13280	10.4
153.09203	3.0
153.12762	8.3
155.08557	6.7
157.10161	11.9
159.08052	3.2
159.11723	23.2
161.13266	9.1
163.11221	16.8
163.14806	5.1
164.04019	1.9
167.08633	2.5
169.10123	7.1
170.45174	2.2
171.10376	2.5
171.11598	10.0
173.09680	4.4
173.13239	14.0
175.11240	3.8
175.14815	5.1
177.16336	2.5
178.41986	2.1
181.10204	4.9
181.12216	9.2
183.11699	6.3
185.13271	8.0
187.13290	2.4
187.14861	8.9
189.11240	18.7
189.12730	3.2
191.10683	7.0
193.12268	4.5
195.11726	3.5
197.13326	4.6
199.14822	7.2
209.11703	6.3
211.13315	5.4
211.15002	2.6
213.16367	1.9
227.12790	44.8
243.20972	3.0
245.13739	5.0
259.20636	5.8
261.18646	1.9
261.22113	15.5
265.19342	2.4
273.22272	3.6
275.19907	2.6
277.21698	3.9
281.22501	2.5
283.15402	19.5
299.23758	18.3
301.21622	7.3
315.23114	3.8
317.24783	12.4
321.22083	2.5
331.22668	2.3
333.24200	7.1
335.25839	11.4
357.24261	3.0
405.31247	2.8
415.29767	3.0
433.30963	8.4
451.32068	16.2
453.38586	2.2
469.33276	18.4
487.34338	12.0
499.33560	2.8
515.37964	2.2
525.35706	20.2
543.36835	100.0
544.36926	5.2
561.37927	60.5
562.38348	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	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01868	11.0
55.05513	46.5
57.03432	10.4
57.07081	5.3
63.10788	2.3
65.03938	3.4
65.59650	3.5
67.05167	5.0
67.05508	81.2
68.77740	2.8
69.03417	3.5
69.07071	23.3
69.14609	2.4
71.03712	5.1
71.05000	6.0
71.08618	2.7
75.57509	2.3
79.05491	55.3
79.88509	2.7
81.03414	12.0
81.07059	71.8
83.04996	13.3
83.08628	21.7
85.02871	2.7
85.06537	5.1
91.05481	51.1
93.07047	53.7
95.04957	12.6
95.08614	46.8
97.06543	7.0
97.10175	40.5
99.08111	3.1
105.04504	2.9
105.07034	51.6
107.04985	3.5
107.08600	42.3
109.06506	4.2
109.10155	32.3
111.04462	7.2
111.08087	6.2
117.07018	20.3
119.08588	37.3
121.06496	3.7
121.10149	22.1
123.08087	6.7
123.11703	9.6
125.09637	22.8
128.06230	4.3
129.07037	16.3
131.08586	30.6
133.10144	27.5
135.08064	4.9
135.11684	24.6
141.06996	4.6
143.08563	11.9
145.10130	31.4
147.11700	21.6
149.09622	6.7
149.13272	4.9
153.09109	2.7
153.12712	5.9
155.08553	8.0
157.10130	11.5
159.11705	16.5
161.13252	11.1
163.11179	17.9
165.12749	3.4
169.10127	6.4
171.10344	3.7
171.11719	8.7
173.09648	4.6
173.13286	13.6
175.14789	6.4
181.10202	3.8
181.12202	9.3
183.11700	7.3
185.13243	12.6
187.14761	5.6
189.11295	16.4
191.10629	5.7
193.12253	3.3
195.11678	4.1
197.13254	3.4
199.14777	4.5
201.16426	4.0
207.11559	2.9
218.95325	2.7
227.12808	32.6
241.19545	3.1
243.21046	5.2
245.13805	4.0
259.20563	7.2
261.22150	11.8
273.22162	4.7
283.15576	16.2
297.21945	3.5
299.23706	20.7
301.21661	6.7
317.24768	10.7
333.24295	7.5
335.25986	12.3
415.29425	3.0
433.30817	10.3
443.96912	2.6
451.32248	14.7
459.84387	3.0
469.33185	13.1
487.34082	11.0
515.37683	5.4
525.35883	24.2
533.52637	3.9
543.36896	100.0
544.37030	4.2
561.37885	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05510	2.6
67.05494	3.3
69.03433	12.1
69.07069	4.9
69.30108	9.9
70.06590	3.9
73.02929	1.2
79.05489	4.6
80.02026	1.0
81.03394	1.8
81.07056	4.2
83.04970	1.8
83.08601	1.4
84.04492	1.5
85.02918	3.7
86.09715	2.1
91.05485	12.5
93.07038	7.2
95.04989	1.9
95.08624	6.5
97.02852	1.4
97.06535	1.1
103.05495	1.5
105.07040	15.8
107.04905	1.0
107.08601	14.9
109.02870	1.4
109.06490	2.5
109.10156	2.1
115.05455	2.4
117.07032	3.7
119.08592	20.4
121.02862	3.4
121.06531	1.4
121.10160	14.3
123.04451	1.1
123.08057	1.9
125.09641	1.6
126.40857	1.0
127.03883	1.4
129.07045	5.0
130.07790	2.4
131.08583	21.8
133.10147	12.2
135.08060	10.3
135.11716	2.7
143.08572	10.4
144.09348	4.2
145.10130	13.3
147.04445	1.6
147.11697	7.5
149.09596	3.9
149.13303	7.3
153.09084	1.3
158.10947	12.9
163.03876	1.8
163.14841	1.2
171.11679	1.4
172.98972	1.5
173.13271	34.0
175.14844	9.9
177.05499	1.7
177.67355	1.1
181.04948	1.7
191.14319	100.0
209.15382	5.1
227.09148	1.4
231.02974	1.2
265.06979	1.1
313.15472	4.0
353.19452	1.3
561.12482	1.9
561.20294	1.9
561.34021	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	561.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
51.98684	1.8
53.03946	12.8
55.01876	21.8
55.05515	31.3
57.03444	15.1
57.07067	3.8
59.04989	2.1
59.09985	1.4
61.02917	5.4
65.03933	6.3
66.32496	1.6
67.05510	100.0
69.03076	2.4
69.03433	36.7
69.07070	20.9
71.01351	2.7
71.04990	10.9
73.02557	2.5
73.02921	34.2
75.04480	2.3
79.05499	71.2
81.03418	29.0
81.07063	95.5
83.04983	19.6
83.08633	14.7
85.02910	27.4
85.06528	4.0
87.04496	2.0
91.05487	45.3
91.59876	1.7
93.07052	80.1
95.04967	12.5
95.08615	81.8
97.02887	9.2
97.06522	9.3
97.10165	5.6
98.21661	2.6
99.04449	16.1
99.08128	2.7
99.85452	1.6
103.03873	1.7
105.04497	1.9
105.06380	2.7
105.07043	36.2
107.04950	6.3
107.08602	45.0
109.02886	49.0
109.06499	4.6
109.09456	3.1
109.10162	43.7
110.03645	5.1
111.03704	3.0
111.04452	56.1
111.08095	7.2
117.07007	16.7
119.08585	33.6
121.06521	3.8
121.10155	42.3
123.08074	5.0
123.11703	16.9
125.09611	4.8
127.03931	28.8
128.06194	1.7
129.07024	5.8
131.08583	28.0
132.99554	20.3
133.06419	1.6
133.10141	22.9
135.01083	2.0
135.08066	2.3
135.11711	32.1
137.09642	3.5
137.13225	4.1
139.11139	2.5
143.08549	5.7
145.06544	1.9
145.10136	25.8
147.07983	2.1
147.11673	17.2
149.09645	5.1
149.13277	15.6
151.00603	5.3
151.11176	3.9
153.12743	7.7
155.00061	2.6
155.08528	3.5
157.10144	6.2
158.10622	2.1
159.11734	15.5
161.13266	12.8
163.11189	12.3
163.14830	9.8
165.12784	2.6
169.10095	2.8
171.11711	5.6
172.99019	4.3
173.09602	4.5
173.13287	12.3
175.11250	2.3
175.14816	5.5
177.12735	2.2
177.16374	2.0
181.12227	12.3
185.09535	2.0
185.13261	3.1
187.14896	4.6
189.11205	2.0
191.00113	23.4
191.10699	9.4
191.14397	1.8
193.12271	2.1
197.13211	1.9
201.16315	2.7
209.01125	8.0
209.11728	2.0
211.13298	1.6
215.18118	1.8
225.38484	1.9
227.12759	8.4
230.23889	1.6
241.19411	2.0
243.21150	12.0
245.05086	1.8
259.20517	2.7
261.22177	36.9
265.03653	2.5
265.14325	2.6
277.21686	2.6
279.23300	2.0
283.15396	11.0
299.23608	2.1
303.23282	3.5
315.23331	2.9
317.24698	6.6
333.24060	2.9
335.25882	29.5
337.27231	2.0
369.24368	2.0
451.31702	2.9
469.33035	2.9
475.21405	2.2
525.35577	3.4
543.36658	15.8
561.27118	56.2
561.37549	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	560.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.7
53.26084	2.2
55.05512	20.1
57.03421	3.0
57.07050	4.0
67.05512	42.9
69.03404	3.2
69.07074	15.5
71.58765	3.5
77.03909	2.8
79.05493	73.8
79.05958	4.0
81.03414	7.6
81.06643	3.5
81.07066	40.1
83.04980	3.9
83.08646	10.6
85.02904	5.8
85.06524	2.8
86.09666	2.4
87.00827	4.3
91.05483	32.6
93.07047	100.0
95.04951	10.3
95.08054	3.2
95.08608	27.9
97.02876	5.0
97.10151	6.9
99.04422	2.9
104.14695	2.5
105.01847	2.5
105.07026	19.3
107.08597	52.4
109.02858	4.1
109.06468	4.7
109.10146	18.4
115.04752	2.1
117.07005	6.0
119.08558	14.4
121.06495	2.5
121.10133	41.0
123.11683	4.8
125.09644	3.5
127.03920	5.8
131.08556	7.4
133.10118	16.4
135.11700	40.4
145.10071	6.5
147.11699	10.2
149.13295	21.2
157.10083	3.4
159.11691	7.6
161.13251	5.8
163.03833	4.1
163.14865	5.1
171.11739	2.4
173.13257	4.2
177.12717	2.9
184.07306	3.6
185.13174	2.8
199.14742	3.6
209.15100	2.4
213.16251	2.5
221.15384	4.4
235.16953	3.9
259.20694	4.4
267.15909	2.6
268.55923	2.3
272.87100	2.1
275.20181	2.9
277.21655	93.1
280.54752	2.2
363.64563	2.3
400.18246	2.5
489.73541	2.5
542.35388	4.8
560.36847	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	560.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59037	0.4
55.01850	1.2
57.03413	1.7
61.02913	1.2
63.10357	0.4
67.05486	1.3
68.05019	0.7
69.03428	4.8
70.06599	0.7
70.26587	1.7
71.01344	0.7
73.02908	1.1
76.01749	0.5
81.03404	1.6
84.08141	0.8
85.02425	0.5
85.02905	6.5
87.04475	0.7
91.03922	0.7
97.02897	2.3
109.02879	1.2
109.05128	0.5
126.09143	0.6
127.03906	1.3
134.04619	5.6
152.05695	1.4
158.07132	0.7
163.03947	1.2
165.02325	5.0
167.02594	0.5
175.09802	1.3
181.05455	1.1
182.04977	100.0
190.03098	0.8
194.04974	3.2
200.09299	1.3
201.10193	0.6
205.05470	3.1
216.04720	2.4
219.07048	1.0
221.08600	1.1
224.06067	1.4
231.07002	11.3
231.09227	0.9
233.07434	0.5
248.07607	0.3
248.09673	25.3
266.10727	57.6
267.10919	0.7
314.09354	1.1
380.13821	0.9
398.14972	9.1
428.16031	48.4
429.16138	0.7
430.37000	0.5
498.17685	0.6
560.20258	30.5
561.20715	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	559.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72178	3.3
53.03955	10.0
55.01871	5.0
55.05519	29.8
57.03440	12.2
57.07071	4.7
67.05514	86.9
67.12112	4.4
69.07077	27.7
71.39548	3.9
71.60305	5.3
79.05504	77.8
79.05962	4.5
80.80833	3.6
80.91360	3.5
81.03427	6.3
81.07066	84.5
83.04985	11.0
83.08624	13.7
85.06552	4.1
89.06022	5.4
91.05495	64.6
93.07053	100.0
95.04990	22.5
95.08617	59.8
97.06580	4.2
105.07045	48.8
107.04984	8.9
107.08618	38.7
109.06464	4.9
109.10159	22.8
117.07041	14.3
119.08601	33.3
121.10168	19.5
123.08090	6.0
123.11674	4.8
129.07008	15.3
131.08585	15.5
133.10182	17.7
135.11670	17.4
143.08562	10.7
145.10094	18.4
147.11681	31.9
149.13225	5.8
157.10191	4.7
159.11729	11.5
161.12083	3.9
161.13275	15.0
163.14818	4.0
169.10168	5.7
171.11699	22.3
175.14838	4.7
178.53984	3.9
189.12773	8.2
207.13837	20.4
218.22176	3.6
261.22165	8.8
279.15918	5.1
281.17505	25.8
293.55429	3.6
335.25851	54.1
464.97507	4.8
467.35135	5.1
541.38940	71.1
559.40271	17.8
559.55542	4.7
562.61816	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	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31785	2.0
53.03948	12.2
53.27689	2.4
55.01869	3.9
55.05298	2.7
55.05514	30.8
57.03445	11.1
65.03944	3.8
67.05510	100.0
69.07066	20.3
69.27924	23.9
71.04979	2.7
73.06594	3.0
79.05496	95.9
81.03422	9.7
81.07064	92.8
81.66556	2.1
83.04981	14.7
83.08611	7.9
85.06507	2.8
91.05487	75.1
93.06465	5.0
93.07048	100.0
95.04974	23.4
95.08055	4.2
95.08617	65.3
95.09232	3.9
97.06536	7.0
97.10168	5.6
105.06390	3.9
105.07038	54.3
107.04945	8.3
107.08604	35.6
109.06504	7.7
109.10159	22.2
115.05470	2.2
117.07037	14.9
119.08584	34.6
119.62890	2.4
121.06496	3.8
121.10150	22.0
123.08077	8.9
123.11698	6.3
123.71358	2.0
128.06219	3.3
128.27396	2.3
129.07036	17.3
129.07858	3.1
131.08572	18.0
133.10127	15.5
135.11717	16.8
143.08556	12.2
145.10152	25.2
147.08089	3.5
147.11697	41.5
149.13292	6.9
155.08571	2.6
157.10118	7.9
159.11685	10.5
161.09653	5.5
161.13271	17.2
169.10207	4.2
171.11691	31.2
173.13312	5.8
187.14815	5.6
189.12737	8.7
201.16397	2.5
207.13846	26.4
222.56084	3.2
240.77350	2.5
243.20952	3.7
261.22171	15.3
265.08990	2.5
279.16055	5.4
281.17520	45.4
317.24866	4.3
335.25845	59.1
449.34036	3.0
467.35318	4.4
523.66394	2.5
541.30756	4.2
541.38947	82.6
559.39514	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	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
54.23933	2.3
55.01884	13.5
55.05519	46.8
56.30724	2.3
57.03432	8.9
57.07074	3.2
65.03970	3.3
67.05170	3.4
67.05512	59.5
69.03411	3.1
69.07071	24.3
69.45810	9.0
69.46231	10.6
71.05004	4.3
79.05499	64.3
81.03420	9.8
81.07063	59.9
83.01363	2.9
83.04971	10.8
83.08625	27.2
85.02885	4.9
85.06563	4.0
86.09711	3.0
91.05490	58.4
93.07060	56.3
95.04972	16.9
95.08605	41.7
95.90794	2.5
97.06527	5.7
97.10186	33.8
98.21508	4.7
105.07038	51.5
106.68230	2.8
107.04961	8.4
107.08598	35.2
109.06589	5.1
109.10164	18.9
111.08115	4.5
117.07045	37.0
119.08584	40.5
121.06530	4.5
121.10169	24.5
123.08084	7.0
125.05981	3.1
125.09638	34.5
129.07018	24.4
130.07777	5.6
131.08588	36.4
133.10136	29.2
135.08064	7.3
135.11697	14.6
141.07005	6.5
142.07759	6.2
143.08577	21.1
144.09311	3.0
145.10120	38.9
147.08084	6.1
147.11720	25.1
149.09671	4.9
149.13205	6.4
153.12703	3.3
155.08583	13.4
156.09357	2.9
157.10170	23.9
159.08073	3.9
159.11710	29.2
161.09645	4.8
161.13277	10.9
163.11185	11.5
169.10152	11.8
171.11716	22.1
173.13312	12.4
175.11168	3.5
175.14841	7.0
181.10164	9.2
181.12291	3.6
183.11728	13.9
185.13312	17.3
187.14821	5.9
189.11223	18.3
189.12738	3.7
193.12300	3.8
195.11752	5.6
197.13292	6.2
199.14847	11.3
203.14052	3.7
207.11639	4.3
209.11568	4.7
209.13335	6.6
213.16451	4.6
221.13281	4.3
223.14890	5.5
227.12761	33.7
233.15210	2.7
241.19566	10.4
257.18994	9.6
259.20554	16.9
267.16061	5.7
271.20599	3.0
273.18631	2.7
275.20123	5.8
283.15384	21.9
285.22168	3.7
291.19568	7.4
297.22162	23.9
299.19849	3.4
313.21616	7.7
315.23288	19.2
331.22824	5.0
333.24210	9.2
341.21371	3.8
421.31241	6.3
431.29388	7.5
449.30478	12.3
467.31635	13.3
485.32874	21.5
513.35773	9.4
523.34253	11.8
527.68903	2.9
531.36383	3.2
541.35272	100.0
559.36328	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.9
55.05513	23.4
57.07076	18.4
67.05501	24.9
69.03434	40.4
69.07074	44.8
69.35540	43.7
71.05003	6.4
79.05496	23.2
81.03419	25.6
81.07059	100.0
81.83092	5.9
83.08151	5.0
83.08601	30.1
85.02916	66.6
85.06536	10.2
87.00822	32.7
91.05505	12.3
93.07053	35.3
95.08612	93.8
97.02888	23.3
97.06512	8.3
97.10216	11.3
99.04463	7.1
105.01866	38.2
105.07016	12.0
107.08588	31.6
109.02905	16.7
109.06513	10.2
109.10155	52.5
111.08128	9.6
111.11745	12.2
115.03911	6.7
119.08597	14.5
121.10147	15.1
123.11676	40.8
125.13326	6.2
127.03938	43.5
131.08598	9.6
133.10136	10.7
135.11711	16.9
137.09583	6.1
137.13275	19.0
145.04947	12.6
145.10107	7.0
147.04436	11.0
147.11732	6.0
149.13249	36.5
151.14908	9.9
159.02879	6.7
159.11736	6.5
163.14868	9.9
167.14311	10.8
175.14912	10.1
205.19377	6.2
231.04984	11.5
275.27328	8.5
293.28415	13.6
401.30240	7.5
430.75275	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	559.327
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
53.03938	1.1
55.05509	2.9
57.03425	0.9
60.43716	0.5
65.03940	0.9
67.05505	3.9
69.03432	1.0
69.07075	2.7
70.27798	1.2
70.28194	1.3
71.04998	0.7
75.68125	0.5
79.05491	4.4
81.03434	0.6
81.07059	7.0
83.04993	0.7
83.08623	0.9
85.02914	0.8
88.91409	0.6
91.05488	7.5
92.95592	0.5
93.07056	8.4
95.04980	1.7
95.08617	7.9
97.06541	1.4
98.20786	0.6
103.05511	0.8
105.07031	13.2
107.04954	0.8
107.07944	0.9
107.08607	9.5
108.88388	0.5
109.06535	2.0
109.10164	4.7
111.08059	0.7
115.05452	0.8
117.07015	3.1
117.47559	0.7
119.08587	12.4
121.06509	2.2
121.10139	6.0
123.08092	1.4
123.11729	1.2
125.09663	0.6
128.06233	0.8
129.07016	2.2
130.07823	1.1
131.04932	0.7
131.08580	7.5
133.06497	1.5
133.09215	1.0
133.10147	8.4
135.08067	3.1
135.11719	2.2
137.09628	1.5
141.07042	1.1
142.07785	2.0
143.08565	4.3
145.06519	3.6
145.10143	10.4
147.04436	1.9
147.08055	6.1
147.11682	4.5
149.09618	2.2
149.13185	0.6
155.08600	1.8
156.09355	1.4
157.10150	5.3
158.07307	1.8
158.10901	1.0
159.08064	11.7
159.11687	5.1
160.08855	1.0
161.09641	6.0
161.13278	2.2
163.11137	0.6
163.28973	0.5
167.08592	0.8
168.09515	0.9
169.10165	1.4
170.10989	0.9
171.08041	2.2
171.11720	3.0
172.08839	3.0
173.09630	10.9
173.13261	6.0
174.10324	0.8
175.11235	2.6
175.14911	1.6
177.12729	0.7
181.10147	0.6
183.11646	2.6
184.08839	0.9
185.09641	2.0
185.13264	3.0
186.10419	3.8
187.11185	4.3
187.14861	2.3
189.12791	2.2
189.16399	0.8
191.14355	1.3
195.11786	1.0
197.13319	1.7
198.10393	0.8
199.11218	6.9
199.14890	1.7
200.11948	0.8
201.12766	22.3
201.16414	1.5
202.13228	0.6
203.14362	6.4
209.13303	0.6
211.11214	0.9
211.14874	1.4
213.12764	2.3
213.16400	1.5
215.14325	10.3
217.15945	1.1
219.13826	1.0
223.14815	0.6
227.14305	1.9
229.15869	1.0
239.14178	0.6
239.17963	0.9
267.17282	0.6
269.19067	0.9
283.20709	0.6
305.13934	4.2
319.15488	0.9
323.18521	0.5
401.28464	1.1
419.29410	1.1
423.80453	0.7
437.30493	0.8
455.31693	2.7
473.32706	7.9
515.33734	2.4
523.30707	1.4
541.31647	4.8
559.32690	100.0
560.33093	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	559.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01860	1.3
55.05515	5.4
57.03433	1.3
57.07069	1.7
59.26653	0.6
61.02932	1.0
65.03931	1.9
67.05507	7.5
68.99785	1.0
69.03434	7.0
69.07073	11.8
69.46427	1.9
69.46857	3.0
71.01392	0.7
71.04993	2.5
71.86441	0.7
73.02904	0.8
79.05498	5.1
81.03433	8.9
81.06578	1.4
81.07064	27.9
83.04976	1.5
83.08622	6.0
85.02913	8.9
85.06548	1.9
87.00835	2.6
91.04958	1.1
91.05490	14.6
93.07058	8.9
95.04966	2.8
95.08042	1.1
95.08613	15.0
97.02914	5.7
97.06504	1.4
97.10164	2.5
99.04454	1.7
99.08089	2.0
105.01862	2.0
105.07045	5.2
107.04969	1.7
107.08607	8.4
109.02891	6.2
109.06505	1.2
109.10169	7.7
111.08076	2.3
111.11728	2.1
117.07011	2.2
119.04960	26.2
119.08594	3.6
121.10143	4.4
123.04495	0.8
123.08044	1.2
123.11710	4.6
125.09668	1.7
127.03924	7.6
129.01831	0.6
129.07031	1.6
131.04993	0.7
131.08554	3.0
133.06487	1.0
133.10147	2.4
134.75716	0.7
135.04411	0.6
135.08060	0.8
135.11691	2.9
137.05974	1.4
137.13260	5.7
139.69615	0.7
141.07001	0.6
143.08632	1.5
145.04982	1.5
145.06482	0.7
145.10156	2.1
147.04424	100.0
147.11700	2.3
148.04778	1.1
149.02290	0.8
149.13278	5.2
153.12700	0.8
155.08588	0.7
155.14317	8.9
157.10164	2.0
159.02835	0.7
159.08090	0.7
159.11729	1.5
161.09569	0.7
161.13309	1.2
163.03879	1.2
163.14839	1.4
165.05513	2.9
165.16473	0.8
167.14333	2.7
169.10133	0.6
171.11786	1.1
173.09688	1.1
173.13266	1.1
175.07565	1.0
177.09097	1.2
187.11192	0.9
189.09154	1.4
193.12245	1.2
201.09027	1.2
205.19638	1.0
211.13266	1.1
227.10626	1.0
231.04950	1.5
232.07091	0.9
255.10280	1.5
267.15927	1.0
273.11234	3.7
275.20181	2.1
275.27371	1.6
291.08575	1.5
293.25143	1.4
293.28275	6.0
293.84811	0.6
359.81110	0.7
395.09802	6.5
541.35468	1.4
559.36749	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	558.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.1
55.21205	3.6
57.03432	12.3
57.07087	29.1
60.30175	4.1
67.05511	27.6
69.07073	11.7
71.08643	19.6
71.59595	5.3
71.59967	5.2
71.60322	4.1
79.05504	13.9
81.03423	56.0
81.07055	28.3
83.04987	9.9
83.08607	21.4
85.02931	15.7
85.10197	10.0
89.06054	5.3
91.05490	17.4
93.07072	9.2
95.04978	11.9
95.08605	23.6
96.16836	4.6
97.10181	8.7
105.07048	13.6
109.10141	10.2
111.08112	8.8
117.20076	4.4
119.08603	11.7
129.07018	6.5
131.08577	8.6
134.59172	4.5
147.11691	11.3
157.10141	8.5
169.12045	3.9
175.11224	5.1
180.18904	4.8
193.12209	33.9
211.13295	59.4
232.60141	4.0
256.26416	4.9
267.16040	9.0
276.48807	4.3
285.16995	42.7
313.27356	72.4
414.63095	4.5
448.23560	4.9
505.38995	5.5
523.40002	100.0
558.53857	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	558.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60624	4.1
53.03920	7.2
53.62563	3.6
55.05506	20.5
57.03434	18.7
57.07079	46.3
61.29603	5.5
67.05504	32.6
69.07056	13.7
70.06592	8.3
71.08634	29.4
71.59210	4.1
71.59596	4.8
75.86829	4.6
79.05501	24.8
81.03426	46.4
81.07057	37.2
83.04971	12.8
83.08636	30.7
85.02916	19.5
85.10177	13.6
89.06037	18.9
91.05482	22.8
93.07053	18.2
94.08701	4.6
95.04966	24.0
95.08618	28.1
96.59241	4.6
97.10174	5.7
101.12092	3.8
105.07038	25.9
107.08566	8.9
109.06552	6.8
109.10170	6.4
111.08135	5.7
119.08582	14.3
121.10193	9.7
129.07063	4.8
131.08540	7.3
133.08647	10.1
133.10132	12.3
146.11684	4.7
147.11728	14.2
149.09506	4.8
157.10127	15.0
175.11179	11.8
178.39873	4.5
193.12274	39.9
211.13307	69.5
267.16000	20.3
283.26373	10.9
284.26590	14.9
285.16965	76.1
302.75787	5.0
313.27377	100.0
505.38785	10.9
523.40015	65.1
558.53571	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66882	0.5
55.37151	0.6
56.05040	4.0
61.01159	3.6
69.33933	5.7
74.02438	0.7
81.03413	0.8
84.20842	0.6
85.02870	0.6
91.05484	1.6
97.02856	0.7
98.06069	4.5
103.06521	0.7
104.05333	7.6
109.02863	0.6
115.05455	1.8
117.07040	1.3
118.06554	18.3
127.03921	2.0
130.06503	1.2
132.08104	4.9
142.06505	2.4
143.07333	2.7
144.06656	3.9
144.08090	13.6
146.06023	59.1
147.06296	1.4
147.68463	0.6
150.05838	1.1
159.09190	5.6
170.06006	3.9
174.05852	4.8
188.07077	100.0
189.07408	2.6
192.06934	3.0
203.95317	0.7
205.09737	39.6
206.09988	1.0
223.79726	0.5
266.37216	0.6
300.08832	1.6
318.10004	2.3
336.11160	3.7
526.28973	0.7
535.10620	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01864	2.6
55.05518	21.7
57.03434	7.5
57.07082	2.4
65.03935	3.3
67.05166	2.4
67.05511	41.0
69.07078	17.4
70.77837	3.0
71.05019	3.1
79.05052	2.6
79.05500	41.0
81.03447	3.7
81.07063	45.3
83.04996	4.1
83.08621	8.0
85.06546	3.1
91.05491	42.8
93.07055	40.4
95.04980	6.8
95.08614	31.8
97.06534	3.6
97.10141	3.4
101.70126	1.3
103.05475	1.5
105.07047	36.0
107.04976	5.8
107.08598	17.3
109.06527	4.2
109.10160	12.6
111.08096	1.7
115.05462	3.5
117.07024	18.6
119.08589	28.5
121.06551	2.4
121.10143	10.3
123.08100	3.5
123.11755	2.8
125.09657	1.9
128.06216	4.5
129.07011	21.0
130.07820	1.3
131.08578	35.1
133.06532	2.2
133.10139	24.6
135.08086	2.5
135.11700	7.6
137.09636	1.6
137.13239	1.5
138.77454	1.3
141.07014	10.1
142.07809	4.4
143.08571	25.2
145.06483	2.2
145.10135	28.5
147.08124	2.5
147.11693	19.2
149.09653	2.7
149.13341	3.2
151.11169	2.4
154.07712	1.9
155.08569	19.8
156.09351	2.7
157.10147	22.8
159.08086	2.9
159.11700	19.6
161.09616	3.3
161.13264	11.3
163.11255	2.3
165.07065	2.1
166.07802	1.8
167.08568	8.8
168.09390	2.4
169.10144	24.5
170.10985	1.7
171.08131	2.6
171.11693	22.7
173.13263	14.8
175.14902	4.2
177.12798	2.6
179.08586	3.2
181.10130	13.1
182.10898	2.0
183.11714	15.5
185.09671	2.6
185.13293	14.2
187.11203	2.9
187.14868	4.8
189.12784	3.1
193.10179	5.4
194.10983	1.4
195.11722	12.2
197.13293	14.4
199.11270	1.7
199.14801	8.2
201.12839	1.8
201.16451	3.2
205.10333	1.5
207.11710	5.7
207.13838	3.9
209.13257	10.0
211.14897	8.2
213.12738	1.6
213.16406	11.6
219.11629	1.7
221.13327	5.0
223.14897	8.5
225.16428	5.5
231.17453	2.1
235.14882	3.6
237.16466	4.8
239.14169	1.6
239.18092	2.1
241.19571	5.3
247.14728	2.4
247.17024	3.3
249.16322	1.7
249.18665	3.0
251.18083	1.9
257.19092	2.1
259.20663	14.8
261.22083	1.7
269.19223	1.7
279.16046	5.8
281.17343	8.6
283.20456	2.3
285.22305	1.6
287.20178	1.6
293.18921	2.5
297.18671	1.9
297.22174	3.5
299.20062	2.3
309.22299	2.6
311.20267	1.5
311.23706	1.7
313.21521	2.5
321.22116	2.1
323.23831	1.8
325.21802	1.9
325.25320	1.9
327.23474	1.8
333.24252	5.5
335.23792	3.5
339.23267	2.6
349.25436	2.2
353.24884	3.2
365.24823	1.6
367.26129	1.3
403.78082	1.6
411.30017	1.8
419.33401	3.1
429.31439	6.4
435.32678	2.0
437.34268	12.5
447.32703	26.4
455.35428	2.4
463.33191	1.5
465.33731	34.5
483.34695	18.0
485.34882	1.5
501.35550	2.1
503.35254	1.5
511.38211	2.0
521.36218	11.5
529.39075	8.0
539.37384	100.0
540.37738	2.5
557.38391	54.0
558.38855	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01866	2.9
55.05517	24.5
57.03428	5.8
57.07068	4.0
64.98179	1.5
65.03925	2.0
67.05505	45.3
69.03393	2.4
69.07075	17.9
71.04999	2.6
79.05495	41.6
79.63953	1.4
81.03431	3.6
81.07063	39.1
83.04981	4.4
83.08636	10.5
85.06550	3.4
91.05482	40.2
93.07047	37.7
95.04948	5.8
95.08611	29.4
97.06499	3.1
97.10168	3.8
98.21527	3.7
105.06374	2.7
105.07040	35.9
107.04943	4.3
107.08592	18.5
109.06543	2.5
109.10142	9.4
115.05460	2.4
117.07005	17.2
119.08589	29.1
121.06467	3.4
121.10139	12.4
123.08051	4.0
123.11760	3.1
125.09622	3.0
128.06215	6.4
129.07022	18.0
130.07755	1.9
131.07713	2.4
131.08591	32.4
133.10138	17.4
135.11682	8.0
137.09576	2.2
141.06979	9.7
142.07771	3.5
143.08565	23.5
144.09244	1.7
145.10141	29.4
147.08067	2.9
147.11716	17.9
149.09624	2.6
149.13248	3.9
154.07707	2.4
155.08553	20.7
156.09297	2.8
157.10124	17.5
159.08054	4.1
159.11694	19.0
161.09586	3.6
161.13217	8.4
163.11163	2.0
165.06911	2.3
166.07875	2.3
167.08578	9.0
168.09296	3.1
169.10120	25.4
171.08136	1.9
171.11691	23.3
173.13235	13.2
175.11223	1.7
175.14821	3.5
179.08591	2.9
181.10143	14.6
183.11699	16.3
184.22546	1.4
185.13257	15.9
187.11205	4.6
187.14812	5.2
193.10149	4.6
195.11729	10.5
197.13232	12.7
199.14803	7.2
201.16458	2.8
205.10056	1.6
207.11737	2.9
207.13675	3.0
209.13243	8.4
211.11212	1.8
211.14816	9.1
213.16348	9.0
221.13217	4.2
223.14822	7.6
225.16351	4.0
235.14804	3.6
235.17010	1.8
237.16328	5.3
239.17966	2.5
241.19485	7.2
247.16995	2.6
249.16508	2.4
257.18884	1.9
259.20605	12.1
279.15903	5.9
281.17355	7.8
287.19937	2.5
313.21490	2.0
315.23392	2.7
323.23544	3.8
333.24280	3.9
353.24713	2.3
419.32996	4.2
429.31558	6.0
437.34186	12.8
447.32651	23.0
465.33673	28.6
468.17908	1.9
483.34686	18.5
501.35675	3.7
503.35492	3.1
511.37659	3.0
521.36224	11.5
529.38776	8.1
539.37360	100.0
540.37616	3.7
557.38477	51.4
558.38690	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	557.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92971	9.2
53.27831	8.4
55.05499	28.3
61.11142	8.8
65.03938	9.2
67.05502	50.3
69.07062	35.7
71.07371	8.3
78.79651	8.4
79.05495	44.6
81.07066	88.3
83.04976	22.2
83.08618	33.2
86.09684	31.6
87.99656	9.8
91.05481	61.1
93.07059	72.2
95.04973	17.8
95.08606	92.7
97.10157	9.9
99.08047	10.1
105.07038	80.4
107.04910	8.4
107.08611	97.4
109.06510	19.0
109.10164	58.2
111.08105	8.3
117.07018	20.8
119.07800	9.1
119.08591	100.0
121.10165	56.9
123.08131	10.2
123.11655	16.8
125.09613	24.7
126.38995	8.9
129.06995	22.2
131.08595	53.2
133.10129	70.2
135.11696	27.9
137.09662	14.7
143.08582	26.0
145.10139	68.4
147.11696	45.1
149.09657	11.2
149.13228	25.4
151.11153	8.5
157.10139	34.4
159.11742	62.0
161.13269	18.9
162.95593	37.3
163.11235	11.8
163.14781	18.6
165.34904	7.8
169.10107	12.2
171.11707	9.1
173.13341	43.4
175.14806	32.8
177.16362	35.7
185.13292	9.4
187.14859	91.7
189.16420	51.3
191.18089	11.9
195.11681	11.3
199.14821	19.1
201.16373	72.8
203.17955	21.1
213.16342	28.6
215.18004	43.0
217.19579	10.9
219.17496	25.4
241.19420	10.3
261.18442	16.0
264.51910	8.1
275.20074	21.3
389.32086	22.4
389.59671	9.2
407.33142	66.4
435.32541	13.4
453.33774	64.8
498.21414	48.2
557.27612	16.3
557.35828	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.3
55.05515	15.3
57.07071	5.7
64.48714	3.5
67.05511	34.7
69.03439	10.7
69.07069	21.8
71.58848	4.8
75.24548	3.3
79.05483	20.2
81.03446	6.4
81.07066	62.6
83.04996	7.8
83.08609	15.2
85.02905	5.8
87.00804	4.1
89.02768	4.2
91.05490	25.3
93.07050	49.5
95.04952	6.6
95.08615	84.6
97.02928	5.1
97.06535	7.6
97.10165	5.8
99.04484	4.2
99.08107	8.4
105.01891	5.1
105.07040	62.5
107.08601	73.3
109.02881	9.1
109.06522	5.6
109.10161	59.1
111.08080	6.6
117.07025	11.5
119.08601	77.6
121.10146	52.9
123.08067	7.8
123.11720	19.1
125.09627	13.5
127.03927	6.9
129.07028	6.3
131.08606	30.3
133.10133	57.6
135.08052	8.1
135.11685	30.0
137.09589	4.7
143.08598	13.1
145.10118	76.8
147.11678	35.5
149.02286	8.9
149.09619	10.4
149.13245	17.5
151.11194	5.1
153.09145	3.8
157.10153	13.4
159.11702	47.0
161.13269	20.8
163.14799	18.1
165.12733	3.8
165.16519	4.8
171.11720	12.7
173.13260	36.5
175.14844	36.1
177.12791	4.1
177.16376	33.3
185.13258	8.6
187.11179	6.7
187.14838	100.0
189.16408	52.7
191.17931	21.3
192.18315	3.8
193.15767	5.4
197.13083	5.5
199.14857	13.4
201.12640	3.9
201.16417	78.7
203.14256	7.1
203.17952	26.4
205.15907	8.5
213.16316	20.7
215.17957	36.4
217.15894	6.4
217.19569	6.5
219.17470	16.9
227.18068	4.5
229.19527	7.8
233.19028	15.3
235.16898	7.5
241.19550	6.9
247.16896	8.5
255.21346	4.1
261.18442	11.1
267.21130	6.4
273.18420	5.5
281.22800	5.7
291.19601	4.7
291.26944	4.6
388.85831	3.7
389.31961	15.7
407.33145	50.4
409.34772	5.9
435.32590	12.4
453.33664	63.3
557.22052	4.9
557.30981	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	556.9654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33300	0.5
50.58670	0.5
51.98832	0.4
53.99242	0.4
56.06612	0.5
56.96565	6.1
57.97350	0.5
70.77171	1.0
71.95259	1.5
91.20543	0.4
98.97585	67.6
116.98625	42.4
130.93285	0.6
134.99657	13.6
140.00209	0.8
153.00673	1.7
155.51147	0.5
158.01144	0.5
172.94357	3.1
175.41628	0.4
190.95401	2.9
197.95042	0.5
203.66557	0.6
208.96490	1.0
214.95302	2.5
230.93332	0.6
232.96468	8.5
232.98668	0.5
240.98619	0.5
248.94583	0.5
250.97502	4.9
256.96408	15.4
258.99835	1.8
272.94360	0.9
274.97513	100.0
275.97653	1.4
276.00467	0.5
277.00836	1.7
288.99152	1.1
290.95517	0.7
292.98569	59.9
293.99023	0.7
297.99164	2.3
301.01102	0.8
302.01260	0.7
307.00092	0.8
316.00143	1.3
316.98840	0.5
348.04114	0.5
397.59015	0.5
398.97406	3.3
414.95364	31.9
415.95709	0.8
416.98703	8.7
432.96448	37.7
434.99658	0.7
443.02454	0.5
450.97522	5.3
455.98044	1.5
472.94354	1.9
484.69095	0.5
514.95117	0.7
556.96588	10.1
557.96533	0.6
574.96228	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	556.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01030	1.1
54.97089	1.2
55.01873	1.5
55.05521	7.5
57.03436	3.6
57.06825	2.1
57.07080	29.6
58.06582	1.8
67.05511	11.7
69.03437	1.4
69.07080	8.1
70.06594	14.6
71.05006	1.6
71.08631	18.1
71.20502	2.1
71.20825	1.5
72.08147	1.5
72.76496	1.4
73.02912	1.9
73.57887	1.3
79.05492	10.5
81.07068	15.4
83.08629	7.9
84.08138	1.4
85.10182	10.2
86.09715	1.5
87.04402	1.8
88.07640	7.5
89.06042	12.3
91.05477	2.9
93.07041	11.7
95.04966	3.5
95.08612	24.4
97.06582	2.2
97.10172	3.1
99.04491	1.9
102.09190	3.7
105.07044	3.9
107.05006	1.9
107.08592	14.3
109.10156	5.7
111.08104	1.7
117.07019	3.8
119.08575	4.2
121.06511	2.4
121.10147	4.0
123.11716	2.0
123.65755	1.3
129.44432	1.2
132.10242	3.3
133.08644	5.6
135.11703	19.9
145.10133	9.3
146.11749	7.6
147.63545	1.1
163.11185	25.7
177.11263	2.7
181.12328	2.6
212.23895	1.5
227.12787	40.6
227.14888	2.3
228.23322	1.4
256.26376	12.7
262.44641	1.2
272.26004	1.6
274.27701	1.3
283.15399	29.1
283.26343	45.4
300.29007	24.6
301.72614	1.3
311.29416	6.0
313.27380	51.9
314.39883	1.3
318.29977	1.7
336.04666	1.4
371.22778	2.7
389.28149	1.5
395.14926	1.5
521.38422	35.6
556.53009	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	556.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
67.05495	2.7
68.05021	2.4
70.06618	2.3
70.16430	10.0
79.05484	5.1
80.04953	2.7
82.06585	5.0
88.24110	2.5
91.05494	3.4
93.05779	2.4
93.07040	8.5
94.06586	16.0
95.04987	2.5
95.07352	11.9
96.08133	33.8
97.06559	4.2
98.20744	3.9
105.04562	3.2
106.06528	4.2
108.08122	30.1
108.92700	2.2
110.09689	48.7
116.04958	8.0
120.08114	31.5
122.06038	4.4
123.06789	2.5
124.07604	20.7
136.07579	18.2
138.05513	5.5
138.09157	59.4
139.06281	4.4
144.04422	12.8
146.06039	9.0
148.07570	11.8
152.07106	13.3
162.05495	4.4
166.08650	100.0
172.02521	3.2
172.03955	51.4
174.05476	4.0
183.08922	2.6
190.05009	26.2
193.44205	2.1
198.07631	3.8
204.06584	62.3
206.07896	2.0
209.10760	2.4
223.08615	7.3
224.09483	3.2
225.10291	3.9
228.53461	2.8
237.10226	13.6
239.08160	7.1
241.09810	6.0
251.08208	13.5
253.09717	19.4
255.11293	5.6
265.09720	31.8
266.10516	3.2
267.07605	10.1
267.11258	8.6
269.09106	3.2
279.07635	18.8
279.10757	5.2
281.09290	14.7
281.12692	2.4
283.10880	14.1
287.10110	3.9
293.09244	21.2
294.07440	3.4
295.10800	18.8
297.08908	2.7
297.12070	4.6
299.10220	13.1
299.13672	4.4
309.08578	7.3
311.10172	17.1
313.11682	2.5
315.13446	9.3
321.08694	25.5
325.11847	40.1
327.09726	18.2
327.13538	6.1
336.08667	4.1
339.09732	26.6
341.11365	15.6
341.14871	3.2
343.12891	5.0
353.11325	22.9
357.14337	3.1
359.12415	44.1
368.11487	3.0
371.12515	19.4
424.84363	2.8
446.17050	6.4
448.18829	4.6
464.18277	28.9
474.16632	20.0
480.21243	16.2
489.16617	2.7
492.17749	61.0
506.12268	2.6
506.19302	33.6
524.20270	38.8
538.22485	12.3
556.23340	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	555.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
55.05515	20.1
60.05222	4.0
67.05519	35.5
69.07066	17.5
71.38757	9.1
76.53848	4.7
79.05495	46.8
81.03432	5.2
81.07059	64.3
83.04997	8.7
83.08648	12.9
91.05483	48.1
93.07053	63.6
95.04985	11.7
95.08601	65.0
97.06547	11.2
99.08144	5.0
105.06390	6.6
105.07043	73.3
107.04958	6.8
107.08598	100.0
109.06527	8.1
109.10159	28.8
115.05508	4.4
117.07012	15.3
119.08590	72.7
121.10167	36.3
123.08111	6.8
123.11707	11.3
125.09610	9.2
128.06271	4.7
129.07008	7.8
130.07831	4.9
131.08565	33.8
133.10144	34.3
135.08086	5.7
135.11705	19.4
141.07060	5.7
142.07863	6.5
143.08582	32.5
145.10124	86.2
147.11673	25.9
149.09619	9.3
149.13264	10.9
155.08591	9.1
156.09396	8.0
157.10147	30.1
159.07976	5.6
159.11705	37.2
161.09659	8.4
161.13284	23.7
163.11130	5.4
163.14828	10.2
165.12744	8.7
167.08521	6.7
169.10173	17.5
170.10924	5.6
171.11705	39.2
173.13261	40.7
175.14870	34.6
175.71812	4.7
177.12740	5.8
177.16460	9.2
177.95290	5.1
182.10916	6.2
183.11723	14.1
185.13280	24.5
187.14845	38.8
189.16364	8.5
191.14087	5.6
195.11754	8.7
197.13298	13.1
199.14851	23.7
199.16470	5.0
201.16440	18.3
203.14217	7.0
209.13216	6.1
211.14825	11.8
213.16406	18.7
215.17957	11.2
227.17944	7.4
231.17522	5.5
237.15923	4.5
239.18069	12.0
241.15807	6.1
241.19562	19.8
247.17068	5.2
251.18030	6.6
253.19579	11.1
257.19095	7.3
259.17093	10.6
265.19577	5.8
267.21002	12.9
275.20193	13.3
281.17624	5.4
285.18634	6.4
285.22205	5.2
299.20062	5.0
309.22095	8.7
331.23798	5.3
335.07455	4.9
353.24982	8.1
387.30554	15.3
405.31500	71.2
407.33319	7.1
433.31204	22.6
451.32104	73.1
509.32516	8.0
515.61053	4.8
555.35614	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	555.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.8
61.02898	0.6
62.45098	0.6
64.29672	0.5
67.05454	1.2
69.03380	4.6
69.07028	1.0
69.18416	0.6
70.06536	2.5
71.03882	1.3
71.04232	0.6
73.02876	0.9
79.05434	2.1
80.24134	0.6
81.03365	2.1
81.06992	1.8
85.02905	5.2
91.05425	2.3
93.06976	2.0
93.77508	0.6
95.08548	0.9
96.08090	0.7
97.02911	3.2
99.04421	1.2
105.07029	4.2
107.08623	3.3
108.08079	1.1
109.02834	1.0
117.06953	2.7
118.06545	7.7
119.08581	6.0
120.08027	1.3
121.10102	1.6
122.09598	1.1
124.76026	0.6
127.03834	1.7
129.06967	1.4
130.06531	19.3
130.07558	0.6
131.08582	5.2
132.08055	1.6
133.10060	2.7
134.09637	5.2
135.11595	0.7
136.07611	3.6
142.06503	1.0
142.07655	1.3
143.07291	0.9
143.08487	2.3
144.08107	5.8
144.09143	1.3
145.04944	0.8
145.10118	8.6
146.06018	20.1
146.09669	1.2
147.11694	9.2
148.11145	2.3
149.11961	1.3
152.07030	0.9
155.08556	1.1
157.10112	3.1
158.09642	1.3
158.10878	3.0
159.10445	0.7
159.11700	3.2
160.11165	2.9
160.12424	1.0
162.12709	0.8
164.07097	3.4
170.05917	0.8
170.10907	2.1
171.11647	1.0
172.11171	1.8
172.12447	1.9
173.11913	1.0
173.13243	5.7
174.12778	1.9
175.13469	0.7
184.11197	0.7
185.13252	2.0
187.14885	3.2
188.07074	9.8
188.14299	3.8
189.56322	0.7
190.15906	22.9
192.10139	0.7
200.14307	1.4
202.15945	4.1
204.17502	16.6
218.11658	0.8
219.30206	0.6
246.14922	4.2
248.16470	21.4
266.16278	0.6
287.13873	1.0
302.51596	0.7
303.66953	0.7
331.21774	1.4
372.72302	0.7
375.20831	6.0
377.22241	100.0
378.22672	2.2
386.20419	0.6
393.17471	0.9
397.23041	0.6
432.22894	0.7
555.27039	48.6
556.27313	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	554.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.3
57.07079	30.7
60.04525	4.9
67.05503	2.3
69.07070	2.3
71.08283	2.1
71.08641	30.6
71.42111	1.4
73.06564	6.4
79.05500	1.6
81.07063	2.4
83.08615	5.6
85.10189	22.5
87.04469	4.8
89.06036	100.0
90.36381	1.2
95.08603	2.5
97.10174	5.5
98.20691	2.9
99.11756	2.2
107.07050	2.1
111.11761	2.3
117.09131	5.8
127.14827	1.9
130.08658	2.5
133.08614	48.1
133.10173	1.9
141.16426	1.9
177.11249	20.5
181.92159	1.4
207.63930	1.3
211.24300	1.5
221.13878	3.5
239.14909	3.4
255.26961	2.9
275.67072	1.3
280.26331	1.6
299.29449	6.0
316.28345	1.5
327.20148	10.8
328.42072	1.4
339.91675	1.7
343.32135	2.7
475.09235	1.5
536.50159	5.2
537.43286	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	554.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
65.03944	0.8
66.45575	0.7
69.35077	6.8
70.06587	1.1
81.03404	0.8
85.02908	2.1
91.05477	1.5
93.03418	1.1
97.02894	1.4
103.05476	34.3
105.06993	0.7
108.33514	0.7
110.92407	0.7
111.04437	1.6
117.07064	1.2
119.08617	1.5
121.02799	0.9
125.05969	1.3
131.04939	100.0
136.07614	0.8
137.05991	9.4
143.04951	1.3
145.06454	1.3
153.05499	7.4
163.07556	59.2
175.07614	1.7
181.29247	0.7
187.07530	1.3
190.62872	0.7
191.07114	4.1
203.07037	8.8
205.08614	3.3
221.08257	1.4
223.09676	1.1
233.08144	2.0
370.98212	0.8
554.27283	0.7
563.35107	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	554.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03945	1.7
67.05517	0.9
69.03432	1.4
70.06590	0.7
75.58123	0.4
77.03907	0.5
79.05495	0.9
81.03415	2.9
81.07052	1.2
85.02918	1.2
85.43978	0.4
91.05505	0.7
93.07038	0.5
95.04997	2.6
97.02893	1.1
97.54736	0.4
102.04664	0.5
103.05479	50.3
105.04517	0.5
105.07056	0.7
107.08610	0.5
107.96777	0.4
109.02914	1.3
109.10181	0.6
119.08601	0.6
123.04440	1.0
127.03931	1.2
131.04941	100.0
132.05338	0.6
134.06076	0.8
136.07585	0.7
147.04437	1.6
149.06013	1.0
153.07047	1.2
155.08548	1.7
161.05971	0.5
162.96779	0.4
165.07057	0.5
170.09714	1.0
171.08063	0.9
173.05988	0.6
176.07083	1.2
180.08165	0.6
181.06487	1.0
183.06685	0.9
183.08128	0.7
198.09180	4.0
199.07585	0.9
201.07800	0.9
211.06358	0.6
216.10239	2.1
226.08598	2.3
228.06584	0.6
229.07375	0.8
244.09714	75.1
245.10037	1.1
246.11322	0.4
261.14197	0.4
262.10764	64.0
263.11041	1.0
275.09177	2.4
293.10156	0.8
392.15112	2.8
396.64865	0.6
406.14990	10.2
424.16177	2.3
522.17859	0.4
554.20087	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	553.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72780	1.1
53.03944	2.8
54.98685	1.4
55.05516	9.5
55.63022	1.4
57.07075	3.5
61.19379	1.5
65.03947	2.4
65.09812	1.3
67.05507	10.6
69.03425	1.9
69.07073	15.8
77.03966	1.6
79.05495	14.7
81.07058	19.5
83.04977	2.8
83.08632	5.4
86.09698	1.6
87.00834	5.9
87.62101	1.3
91.05489	26.5
92.31637	1.4
93.07050	25.2
95.04930	1.6
95.08610	31.5
97.06534	7.3
97.10168	2.8
103.05483	1.6
104.58432	1.2
105.07037	53.2
107.08596	39.5
107.09286	2.7
109.06551	2.3
109.10165	14.4
115.05466	3.8
115.07561	12.9
117.07040	13.1
117.08799	1.4
119.08590	66.8
121.06536	4.2
121.10149	27.2
123.08091	5.0
123.11716	5.6
127.65572	1.3
128.06218	4.9
129.07024	9.6
130.07790	5.1
131.08583	39.8
133.10138	51.2
135.08092	4.6
135.11678	17.6
137.09666	2.7
141.07005	4.1
142.07808	7.9
143.08574	24.5
143.66881	1.3
144.09323	9.5
145.10129	81.7
147.08089	3.3
147.10524	1.7
147.11690	29.1
148.39194	1.4
149.09619	2.8
149.13284	6.0
151.11215	1.6
153.07001	1.8
155.08623	10.9
156.09363	9.0
157.10146	30.3
158.10931	7.2
159.08131	2.1
159.11697	78.2
161.09691	3.9
161.13264	18.0
163.11212	10.3
163.14838	3.8
167.08644	2.9
168.09355	3.4
169.10178	12.6
170.10947	6.3
171.11696	26.3
172.12483	3.0
173.09682	3.6
173.13289	35.6
174.14055	2.2
175.07640	1.6
175.11238	3.4
175.14853	13.5
177.12801	2.3
177.16357	10.3
179.08498	1.7
180.43517	1.5
181.10164	5.0
182.11006	4.0
183.11710	12.7
184.07416	2.2
184.12497	4.0
185.13297	22.1
187.11168	3.5
187.14841	70.7
188.15236	1.7
189.12909	7.2
189.16389	100.0
190.13560	1.5
191.14301	3.3
191.17966	27.3
193.10179	2.4
195.11752	6.3
196.12480	2.0
197.13278	17.6
199.11171	6.2
199.14839	25.7
201.07567	3.1
201.12762	13.7
201.16405	36.6
203.14374	5.2
203.17978	7.2
205.12245	2.6
205.15887	20.6
208.94505	1.6
209.13258	3.0
211.14882	4.6
213.12921	3.0
213.16397	25.6
215.14328	12.7
215.17960	15.4
217.12280	3.0
217.15915	3.8
221.13278	1.7
222.13953	1.6
223.14859	2.8
225.12679	1.8
225.16264	3.6
227.14236	1.6
227.17952	4.2
229.12250	2.3
229.15939	2.0
231.13855	1.8
235.13322	1.9
237.16441	2.8
239.18108	2.4
243.13905	6.2
245.15446	3.5
247.13246	3.6
249.16533	1.7
253.19637	3.0
259.13522	1.5
261.14954	4.2
263.17889	2.3
275.18066	1.7
290.90091	1.6
339.14523	4.6
347.15100	2.2
349.12939	5.4
349.22208	1.7
363.14581	1.6
385.28998	4.5
387.30673	1.6
403.30136	12.7
405.31750	1.8
421.31335	4.5
423.39496	2.0
431.29364	8.9
449.30365	8.7
467.31396	7.4
472.35217	1.6
491.31552	2.1
507.31223	5.6
509.32785	4.2
535.30890	8.4
553.31659	69.2
554.32288	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	553.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03565	0.6
60.62506	0.7
71.16829	1.2
71.17165	0.7
77.61720	0.7
78.45284	0.7
91.05493	0.9
93.70975	0.6
103.35568	0.7
115.05483	1.4
117.07052	0.7
118.06551	18.4
120.97859	0.8
130.06499	1.4
132.08121	5.0
142.06575	1.8
143.07300	2.4
144.08092	11.1
146.06012	60.0
151.82764	0.7
159.09142	5.6
170.06076	4.5
188.07077	100.0
203.88634	0.8
205.09738	43.6
266.50864	0.7
383.49832	0.8
550.22626	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	553.1344
Annotation	Vitexin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
52.62723	0.1
53.03944	0.2
55.01880	0.2
65.03934	0.4
67.01877	0.6
67.05502	0.2
68.99799	0.5
69.03427	0.3
70.06579	0.2
73.31385	0.1
78.92339	0.1
79.05494	0.2
81.03433	0.9
81.07052	0.3
85.02895	0.3
91.05473	0.5
93.07047	0.1
95.04971	0.4
95.08591	0.2
97.02901	0.4
98.21519	0.3
102.77254	0.1
109.02885	0.5
111.04458	0.2
119.04952	1.7
119.08575	0.2
121.02876	11.4
125.02361	0.1
127.03903	0.4
127.07410	0.1
131.04851	0.1
133.10109	0.1
139.03912	0.9
145.02855	1.1
145.04948	0.1
147.04370	0.3
148.80113	0.1
153.01833	5.5
155.89018	0.1
161.09589	0.1
163.03902	0.7
171.02911	0.9
176.12155	0.1
187.03886	0.2
203.07039	0.4
225.05484	0.5
229.04982	0.3
243.06532	0.3
264.20010	0.1
265.07117	1.4
271.06018	100.0
272.06348	1.3
283.08105	0.2
288.43564	0.1
340.56882	0.2
346.20926	0.1
553.12970	0.2
553.21619	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	552.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52984	0.4
56.05035	0.6
57.05807	0.7
66.97302	0.4
69.03426	0.5
69.07075	8.4
70.06587	2.0
71.58189	0.9
72.08148	0.9
75.05604	1.8
79.91663	0.5
83.06102	2.9
85.02904	0.8
86.06079	2.3
86.09712	100.0
88.16471	0.5
93.04527	2.2
95.06095	3.3
105.07001	0.9
106.16064	0.5
110.07172	54.6
114.05533	7.6
120.08143	0.7
121.06527	0.6
131.04900	0.7
134.07002	0.4
137.05925	0.7
143.11819	9.5
147.04437	2.0
148.04829	0.8
149.05893	1.1
156.07701	65.5
161.06001	0.9
163.03897	1.1
166.06134	1.0
167.80852	0.4
171.07637	3.7
204.33389	0.5
209.08083	0.6
238.15669	0.6
251.15175	2.0
256.16586	9.6
269.16122	16.7
281.06570	1.8
284.16064	23.2
328.21136	0.8
397.24603	3.7
439.26678	1.5
468.62799	0.5
510.09579	0.4
534.30042	2.1
552.31445	27.9
553.31720	1.5
554.53131	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	552.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08138	0.4
61.19435	0.3
65.03912	0.4
67.05474	0.4
69.07056	0.3
69.45224	0.9
69.45661	1.6
79.05455	0.6
80.04987	0.5
81.07034	0.3
82.06557	0.5
85.87968	0.3
86.09659	1.3
86.10107	0.3
91.05425	0.6
92.04943	0.3
93.07042	1.6
94.06559	1.8
95.04929	0.5
95.07346	1.7
96.08131	4.2
97.06536	0.6
98.21470	0.6
103.05432	0.5
107.07288	0.3
108.08131	3.7
110.09680	6.3
118.06516	0.3
120.04472	3.0
120.08117	4.2
122.05991	1.1
122.09622	0.5
123.06754	0.3
124.07532	1.0
124.99943	0.9
132.08070	0.4
132.77533	0.3
136.07574	3.5
138.09152	8.9
146.05997	0.8
148.07553	1.5
150.05463	0.5
150.09129	0.6
151.06253	0.3
152.07121	1.4
152.10663	0.5
158.05898	0.4
159.06726	0.3
162.09169	0.4
163.03842	0.3
164.07042	1.0
166.08640	7.4
168.10130	0.4
172.03897	0.4
180.10164	0.4
182.11707	0.4
183.08830	0.3
184.06038	0.3
184.07387	4.0
184.09962	0.3
187.52049	0.3
187.57796	0.3
194.08115	1.3
196.09863	0.6
197.10716	1.1
206.08035	0.4
209.10770	0.6
211.08566	0.6
211.12175	0.5
212.09402	0.9
213.10210	1.1
221.10625	0.6
222.11502	0.3
223.08620	1.3
223.12303	1.2
224.09435	1.4
225.10219	3.3
226.10977	0.6
227.11742	0.6
233.10681	1.0
235.08669	1.8
235.12283	0.4
236.09338	1.2
237.10229	8.5
238.11142	1.6
239.08186	1.8
239.11797	3.8
241.09636	1.4
243.11334	0.4
245.12831	0.6
247.08591	0.4
248.09404	1.4
249.10216	6.0
250.11053	2.5
251.08134	3.7
251.11780	5.9
252.08784	0.7
252.12502	1.1
253.09753	5.2
253.12419	0.5
253.13400	0.4
254.10583	0.6
255.11320	0.8
260.09537	0.3
261.10260	2.8
262.10956	1.3
263.08237	1.0
263.11728	3.9
264.08975	1.1
264.12543	0.3
265.09744	9.0
265.12747	0.7
266.10519	2.2
267.11310	5.5
268.12006	0.6
269.09164	0.7
269.12796	0.6
271.06009	0.9
271.10852	2.2
273.12448	0.5
276.08850	0.8
277.09708	3.1
278.07135	0.4
278.10507	3.9
279.07678	3.5
279.11285	10.2
280.08487	0.4
280.11978	1.9
281.09183	2.9
281.12830	1.8
282.09973	0.7
283.10815	7.2
284.11505	0.5
285.12402	1.1
287.14050	1.5
289.09689	5.6
290.10330	0.5
291.11227	2.0
292.11920	0.3
293.09201	1.8
293.12823	4.0
294.10062	5.2
294.13266	0.5
295.10907	3.9
295.14172	0.6
296.11572	2.4
297.08899	0.7
297.12329	1.6
298.09473	0.5
299.10312	1.8
302.12683	0.4
305.09308	0.4
306.09949	1.6
307.10693	2.6
308.11545	1.2
309.12283	2.5
310.13345	0.5
311.10242	6.5
311.13956	2.1
312.11072	2.4
313.11737	1.7
314.12634	1.4
317.09229	1.1
321.08615	0.3
321.12332	0.4
323.10196	0.9
323.13962	1.3
324.11066	1.9
325.11783	1.3
326.12665	4.5
327.13391	9.4
327.17133	0.7
328.14392	0.4
335.10251	7.7
336.11053	0.5
337.11807	0.8
339.13403	50.9
340.10556	2.4
340.14093	0.6
342.16193	0.4
349.11893	0.5
352.10526	1.0
353.11316	0.7
354.12158	4.6
355.12894	14.3
356.13443	0.4
357.14575	0.5
367.12903	32.3
368.13293	0.7
370.15341	0.4
371.12091	0.7
376.16248	0.5
386.14975	1.6
387.15540	1.0
390.18076	0.4
399.15570	0.6
418.17740	0.6
429.11703	0.5
436.18628	0.3
451.21075	1.2
460.18710	1.2
461.20193	0.4
479.20547	2.6
488.18234	13.0
492.21271	5.3
502.19608	0.9
520.20819	100.0
521.21155	1.8
538.21838	0.6
552.23462	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	552.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32890	0.2
67.05491	0.3
68.66767	0.2
69.03349	0.2
79.05446	0.8
80.04986	0.4
81.07021	0.5
82.06548	0.5
82.22048	0.2
91.05428	0.7
93.05777	0.4
93.07055	1.7
94.06585	1.9
94.96069	0.2
95.04945	0.4
95.07361	1.4
96.08134	4.1
97.06522	0.4
100.56679	0.2
106.06499	0.5
108.04428	0.3
108.08129	3.3
109.08855	0.3
110.06007	0.2
110.09692	5.7
118.06499	0.3
120.04488	2.3
120.08128	3.9
122.05979	1.0
122.09622	0.7
123.06765	0.5
124.07601	1.7
134.05942	0.5
134.09598	0.4
136.07594	4.6
138.09145	8.5
146.05992	0.6
148.07608	1.2
150.05511	0.4
150.09090	1.0
151.06232	0.7
152.07072	1.7
152.10654	1.0
162.05466	0.3
162.09068	0.4
164.06993	1.1
166.08658	9.1
172.03928	0.7
176.10715	0.3
177.07811	0.3
178.08658	0.3
180.06531	0.3
180.10204	0.9
182.11732	0.8
185.10744	0.4
190.04991	0.3
192.10120	0.5
194.08162	1.1
196.09799	1.0
197.10725	1.0
199.08571	0.4
199.12213	0.3
204.06520	0.9
204.10172	0.2
209.10715	0.7
211.08635	0.5
211.12306	0.8
212.09473	1.0
213.10249	0.6
220.10022	0.3
221.10757	0.7
223.08705	1.3
223.12355	0.8
224.09473	1.2
225.10228	3.0
226.10924	0.7
227.11798	0.9
232.10446	0.2
233.10689	0.4
234.07646	0.2
235.08611	1.4
235.12227	0.4
236.09393	1.3
237.10243	6.9
238.11009	1.9
239.08205	2.1
239.11813	3.4
240.12668	0.4
241.09688	1.1
245.12918	0.5
246.54901	0.3
247.08888	0.3
248.09354	1.3
249.10231	5.4
250.11035	2.0
251.08147	3.1
251.11781	5.3
252.08911	0.9
252.12576	1.1
253.09709	4.8
253.13347	0.6
254.10480	0.8
255.11240	1.1
257.12933	0.3
259.14490	0.4
261.10269	2.2
262.11047	0.8
263.08188	0.7
263.11777	2.5
264.08945	0.7
265.09738	8.6
265.12830	0.3
266.10559	1.5
267.11349	4.4
267.65424	0.2
268.12088	0.5
269.09198	0.6
269.12860	0.6
271.06250	0.3
271.10837	2.6
273.12381	0.7
274.07382	0.3
276.09033	0.3
277.09720	2.7
278.07318	0.3
278.10532	3.2
279.07666	3.4
279.11264	8.0
280.08560	0.3
280.12033	1.6
281.09515	1.8
281.12305	1.6
282.09933	1.2
283.07834	0.5
283.10800	6.5
283.13943	0.5
284.11389	0.7
285.12363	1.4
286.13074	0.3
286.66098	0.3
287.13931	2.3
289.09744	3.0
289.15463	0.3
291.08182	0.4
291.11316	1.7
292.08411	0.3
293.09235	2.0
293.12823	3.7
294.10059	3.4
294.13217	0.3
295.10870	2.7
295.14035	0.4
296.11548	1.8
297.08920	0.5
297.12311	1.7
298.09540	0.5
299.10358	2.1
299.13620	0.5
302.12872	0.4
306.09793	1.3
307.10983	1.4
308.11484	0.7
309.09027	0.5
309.12335	2.2
310.12970	0.3
311.10245	6.0
311.13947	1.9
312.11023	2.4
313.11783	2.1
314.12598	1.8
315.13565	0.4
317.09167	0.9
317.15091	0.3
321.08661	0.4
321.12241	0.5
323.10205	1.0
323.13861	0.9
324.10941	1.8
325.11853	2.4
326.12650	4.3
327.13406	8.0
335.10260	5.1
337.08441	0.3
337.11826	1.3
339.10126	1.5
339.13406	41.9
340.10535	1.5
340.14059	0.9
341.15082	0.5
342.16144	0.3
343.12976	0.5
352.10654	1.1
353.11285	0.8
354.12115	2.9
354.16028	0.3
355.12906	8.6
356.13480	0.5
357.14395	0.7
358.15582	0.4
367.12930	12.8
369.14496	0.4
371.12112	1.8
371.16324	1.1
372.13190	0.4
385.14075	0.9
386.14844	1.9
387.15527	3.7
399.15591	6.0
400.16574	0.4
428.15939	0.5
432.19656	0.3
442.17859	0.3
451.21082	0.8
452.21826	0.7
460.18823	1.2
464.17847	0.4
470.17224	0.4
474.19998	0.6
479.20609	2.1
488.18262	2.5
492.21490	3.2
502.19635	0.4
520.20898	28.7
521.21143	0.8
524.23627	0.7
534.22406	0.8
552.23444	100.0
553.23828	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	551.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.05511	18.6
57.07075	13.8
62.14312	3.6
67.05506	33.1
69.07077	20.7
71.59389	6.6
72.92163	4.7
79.05502	30.3
80.41769	4.0
81.03424	4.2
81.07062	44.0
83.08620	9.5
85.06548	8.2
91.05489	43.7
93.07049	59.3
95.04964	6.9
95.08614	49.5
97.10123	5.1
103.50349	3.7
105.07036	69.5
107.08597	51.4
109.06474	4.4
109.10161	47.8
115.05501	6.1
117.07014	16.1
119.08583	100.0
121.10156	63.5
123.11732	13.6
128.06273	4.7
129.07022	9.0
130.07755	6.4
131.08575	39.9
133.10126	66.0
135.11722	36.2
136.58696	3.8
137.09602	5.1
141.06992	7.6
142.07776	15.1
143.08554	22.4
144.09378	5.6
145.10143	66.8
145.28404	4.7
147.11699	25.9
149.13245	6.4
155.08508	12.5
156.09338	14.6
157.10147	39.1
159.11707	32.7
161.13229	11.0
167.08601	6.8
169.10161	16.7
171.11682	26.3
173.13304	24.6
175.14825	53.3
179.08524	5.9
180.09216	4.3
181.10165	9.9
183.11673	19.8
185.13254	22.1
187.14839	15.2
193.10106	6.3
195.11732	10.9
196.12515	6.5
197.13295	21.5
199.14856	8.8
201.16380	11.4
207.11732	6.1
209.13304	12.7
211.14796	11.7
213.16434	8.2
219.17369	5.0
221.13280	6.1
223.14822	9.1
225.16255	4.8
231.11566	4.9
237.16528	6.7
239.17961	5.7
241.19427	5.3
247.14732	5.9
249.16817	4.8
253.19543	8.7
267.21042	7.9
275.17853	5.8
333.25372	4.4
345.25867	4.3
429.31778	5.0
516.89111	4.2
551.42474	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
53.25781	1.4
55.01876	7.8
55.05510	11.0
57.03437	1.8
57.07068	5.4
61.33731	1.7
65.03921	2.0
67.05507	48.6
69.03427	5.0
69.07063	8.2
71.04987	6.5
71.58482	1.7
71.90120	1.3
73.02914	4.9
74.09683	1.5
79.05061	2.7
79.05497	40.4
79.05956	2.2
81.03424	6.8
81.07060	48.7
83.04997	2.1
83.08617	7.0
85.02896	2.9
85.06521	4.6
91.05482	22.8
93.07043	52.1
93.44353	1.9
95.04982	3.8
95.08041	3.0
95.08610	34.6
97.06514	4.2
97.10180	1.8
99.04453	4.7
99.08086	7.4
105.07036	19.2
107.08603	32.4
109.02895	9.9
109.06522	2.5
109.10168	24.1
110.03635	7.4
111.04415	3.6
113.09669	3.0
117.07033	13.4
119.08600	15.9
121.10160	40.5
123.11718	14.3
126.18102	1.4
127.03951	5.1
128.28729	1.5
131.08566	24.3
133.10117	19.7
135.08102	3.0
135.11696	46.3
136.06195	2.0
137.09659	3.3
137.13249	4.0
143.08618	2.2
145.10130	18.7
147.11711	15.8
149.09624	4.3
149.13242	19.7
151.11157	2.1
157.10089	2.8
159.11700	16.4
161.13274	5.8
163.03963	1.8
163.11229	3.4
173.13261	16.1
175.14873	2.2
182.76871	1.5
187.14848	5.8
189.16457	3.0
191.00150	5.1
191.14403	1.5
199.43312	1.6
205.15913	2.1
205.19524	9.2
215.17972	58.9
233.19008	100.0
235.20570	2.0
251.20094	3.6
307.22668	8.7
309.24124	1.7
312.58746	1.7
325.23727	64.8
533.24231	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	551.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40825	2.0
69.41251	4.0
71.47890	0.7
91.05492	0.9
93.02709	0.6
98.25823	0.8
115.05508	0.9
117.05763	1.1
117.07049	1.2
118.06549	19.2
123.27713	0.7
130.06525	1.2
132.08104	5.5
142.06517	1.6
143.07288	2.3
144.08084	10.5
146.06013	58.6
149.37201	0.7
159.09183	4.9
160.07597	0.9
170.06021	4.0
188.07074	100.0
189.07347	1.7
205.09737	38.0
324.51688	0.8
378.89767	0.7
418.17395	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	551.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93190	0.2
55.05495	0.4
67.05489	0.8
69.07049	0.7
71.58939	0.2
79.05487	1.2
80.04993	0.3
81.03413	0.6
81.07070	0.4
82.06575	0.8
85.02887	0.4
91.05492	1.4
93.05792	0.5
93.07044	3.0
94.06574	3.2
95.07365	2.9
95.07938	0.4
95.08562	0.6
96.08137	6.6
97.06519	1.1
103.05490	0.5
105.06994	0.3
108.07410	0.5
108.08118	5.5
109.02868	0.3
109.08960	0.5
109.10181	0.4
110.06037	0.3
110.09686	12.3
119.08627	0.3
120.04461	0.7
120.08113	8.3
122.06042	2.9
122.09641	0.3
123.06788	0.6
124.07579	0.9
132.08148	0.3
136.07565	4.0
137.07928	0.3
138.09145	13.7
139.09485	0.4
147.04341	0.4
148.07579	2.5
150.09084	0.5
162.09142	0.3
163.03917	0.3
164.07092	0.6
166.08650	15.4
167.07333	0.3
168.08090	0.3
192.06618	0.3
194.08395	0.6
195.09181	0.3
196.09891	0.3
197.10851	0.3
206.08287	0.4
207.09132	0.7
208.09949	1.2
209.10745	4.4
210.11362	0.5
211.08638	0.4
220.10033	0.3
221.07187	0.6
221.10637	1.3
222.07852	1.3
222.11346	0.5
223.08699	1.2
223.12341	1.4
224.09473	0.8
225.10234	1.6
226.10722	0.5
233.10732	0.4
234.11716	0.3
235.08665	5.9
236.09448	8.8
237.10234	28.5
238.10744	2.3
239.08179	0.8
239.11697	1.2
240.08929	0.6
240.12309	0.3
241.09782	0.4
248.09468	0.8
249.10255	17.8
250.07491	1.9
250.10919	6.8
251.08072	1.8
251.11801	5.7
252.08926	1.2
252.12314	0.8
253.09689	2.8
254.10268	0.6
255.11182	1.3
257.54904	0.3
259.18008	0.3
261.10254	1.7
262.10855	0.8
263.08188	3.2
263.11844	0.6
264.08951	15.0
265.06689	0.5
265.09735	10.2
265.12698	0.5
266.10245	3.4
267.11301	5.5
268.08942	0.3
268.11722	1.3
269.09259	1.2
275.08356	0.3
276.08893	0.8
277.09720	15.5
278.06927	0.8
278.10370	6.5
279.07794	1.5
279.11246	14.4
280.08548	0.6
280.11935	2.6
281.09265	4.6
281.12650	1.3
282.09848	1.6
282.12903	0.3
283.05975	0.3
283.11020	1.4
283.13837	0.4
284.11533	0.3
289.09796	0.9
290.06989	0.4
291.07736	2.3
291.10913	0.4
292.05463	0.5
292.08463	2.1
292.11841	0.7
293.09250	59.5
293.12732	6.6
294.09766	1.8
294.13266	1.0
295.10742	4.1
296.11487	0.8
297.08762	0.7
297.12326	0.7
298.09479	0.6
299.98068	0.3
302.12796	0.3
303.17072	0.4
304.08505	0.7
304.30774	0.3
305.05676	0.3
305.09219	11.0
306.09903	1.6
307.10776	13.9
308.07809	0.5
308.11240	1.0
309.08719	4.2
309.12427	2.3
310.09338	1.0
310.12772	0.6
311.10272	3.0
311.13928	1.4
312.11075	1.9
313.11807	2.8
314.12689	0.4
315.13226	0.3
319.10870	0.6
320.11191	1.0
321.12347	0.7
322.13086	0.8
323.10281	7.6
323.14047	0.6
324.11005	1.8
325.11777	2.9
326.12317	1.0
327.13498	1.6
328.14178	0.4
330.12396	0.6
330.16003	0.4
333.08670	7.5
337.11914	2.4
338.12366	2.2
339.09470	0.7
339.13428	7.5
340.13977	1.7
341.11282	0.4
341.15250	0.4
342.12228	0.7
342.15979	0.4
343.13022	0.8
344.09613	0.3
344.13644	0.5
346.15320	0.3
351.09766	26.4
352.10190	0.7
353.11761	1.4
353.14825	1.6
354.12051	1.0
354.15970	0.4
355.12878	1.8
356.13687	0.7
357.14560	0.9
358.15433	0.5
359.16202	0.3
365.11212	1.8
366.12045	8.2
367.12793	0.5
368.13522	0.4
369.14606	1.0
370.11584	1.1
370.15585	0.5
371.12280	5.9
372.13077	0.4
382.11575	0.4
383.12360	12.4
384.13248	0.6
385.13904	4.9
386.14435	1.4
387.15445	0.4
390.18216	1.2
397.13977	1.1
398.14648	13.0
399.15576	0.7
400.16583	0.6
402.18552	0.6
417.16574	0.5
418.17657	1.9
419.17969	0.8
428.16037	0.9
430.17612	0.4
432.19119	0.4
434.20380	0.4
435.17834	0.4
446.17111	9.6
450.19958	0.6
458.17142	0.5
460.18713	0.6
461.19305	0.5
476.18167	0.9
478.19754	41.6
479.20096	1.1
486.16800	0.9
491.20331	1.1
492.21127	0.5
504.17651	4.0
505.18018	0.3
508.20807	0.9
518.19269	1.3
519.19977	8.4
523.22681	1.7
536.20306	16.0
551.22491	100.0
552.22882	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	551.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.1
63.52594	9.6
67.05497	28.4
69.03422	25.4
69.07066	20.2
69.34840	75.0
70.06565	10.0
71.04993	11.7
79.05492	37.6
81.03414	25.3
81.07062	35.4
83.04993	53.3
85.02915	27.0
91.05489	31.9
93.07037	17.4
95.04938	22.2
95.08603	20.2
97.02882	17.1
97.06546	66.1
97.57429	9.5
98.20696	17.1
99.04449	10.7
105.07025	78.7
107.04993	10.9
107.08598	29.3
109.02889	15.8
109.06536	47.6
116.20422	9.1
117.03431	12.8
117.06966	13.3
119.08572	18.4
121.02871	29.2
121.06495	25.5
121.10158	9.1
125.06018	67.3
127.03896	20.8
131.08566	14.3
133.06535	13.6
133.10115	18.8
135.11618	11.5
137.06012	13.6
143.07042	55.5
143.08540	14.7
145.02849	18.1
145.06505	19.2
145.10144	100.0
147.04469	15.2
147.11681	11.6
151.03981	12.9
151.07570	15.2
158.07347	16.6
159.11713	33.3
163.03917	13.0
163.11205	40.7
173.09633	56.3
173.13406	9.3
177.05527	28.7
177.09152	8.7
177.12704	13.5
184.07457	10.5
187.11177	80.6
191.10712	24.5
205.12270	70.3
209.11674	10.4
215.08751	15.3
215.10657	82.2
223.13286	9.1
233.11777	52.6
251.12691	9.9
267.06494	10.9
294.93716	9.5
312.06293	12.6
352.12775	9.2
371.07657	44.4
551.11670	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	549.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03931	0.5
55.01857	0.8
57.03422	1.0
65.03928	1.0
65.64987	0.3
66.04723	0.5
67.05482	0.8
69.03431	2.9
70.06589	0.7
70.38963	0.4
70.39312	0.8
71.04979	0.4
73.02921	0.4
74.63250	0.3
76.30747	0.3
79.05479	1.2
81.03420	1.0
81.07043	1.1
82.04177	0.3
83.30624	0.4
85.02903	5.0
86.06065	0.5
86.09689	0.5
91.05492	1.2
94.04191	2.6
95.04944	0.5
95.08589	0.4
97.02885	2.1
97.06521	0.5
99.04436	0.6
103.05495	0.6
105.07024	1.1
107.04939	0.8
107.08614	0.6
109.02884	0.7
109.06528	0.4
115.05460	1.4
117.07021	2.1
119.08633	0.3
121.06490	0.4
121.10148	0.4
122.03651	6.6
123.04451	0.7
123.08057	0.6
125.06030	0.5
127.03909	1.1
133.10156	0.6
135.04449	0.4
135.08070	0.7
136.08768	0.4
137.05977	100.0
142.02626	0.5
143.04922	3.3
145.04948	0.7
145.06480	2.3
147.04413	0.8
147.08046	0.3
147.11736	0.5
147.94731	0.3
149.06026	0.6
149.09624	0.6
151.03923	1.8
151.11119	0.7
152.04634	0.4
153.05486	0.4
155.06017	0.8
161.05968	0.7
163.03912	0.3
163.11310	0.3
167.07042	9.3
171.06549	0.6
173.05986	4.6
175.07594	0.9
177.05502	0.8
177.12778	0.8
179.07092	0.5
181.04951	14.4
189.05403	0.3
189.12772	0.8
191.07071	0.3
203.07077	1.3
205.08626	1.9
207.13776	4.0
221.07918	0.5
225.14838	0.5
233.08095	1.2
235.09647	3.1
236.98907	0.4
255.57439	0.4
295.09558	0.3
357.13327	15.3
387.14404	9.3
387.19690	0.4
419.93323	0.3
422.77161	0.3
425.47513	0.3
519.18231	0.4
549.19653	40.0
550.20557	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	548.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20533	2.3
55.05510	20.2
57.03428	8.9
57.07070	8.3
67.05509	80.7
68.07362	2.1
69.07069	29.7
69.82729	13.3
71.04992	5.1
71.08614	7.7
74.95410	2.2
79.05494	27.9
81.07061	100.0
82.07388	3.6
83.04957	3.7
83.08628	20.8
85.02895	5.4
85.06538	4.2
85.10197	4.0
91.05493	20.8
93.07050	31.2
95.01328	4.2
95.04961	4.0
95.08612	75.6
96.65321	2.3
97.06532	7.7
97.10172	15.0
98.28758	2.6
99.08099	6.5
105.07036	17.2
107.08593	20.7
109.06534	2.5
109.10160	49.8
111.08073	4.5
111.11729	3.2
113.02344	2.2
113.09682	3.0
119.08577	16.9
121.10171	21.2
123.08053	3.5
123.11700	23.7
125.09650	3.1
127.11231	5.3
131.08606	3.9
133.10129	19.0
135.11742	12.8
135.12659	3.6
137.13261	8.3
139.11160	2.4
141.01866	5.9
141.12740	4.8
143.08574	2.5
147.11681	15.3
149.13310	12.5
151.14844	6.7
155.14334	3.2
155.57675	2.4
161.13258	15.3
163.14792	12.7
163.77571	2.3
165.16409	8.7
175.14838	9.6
177.16237	2.7
179.17917	7.1
189.16339	4.4
215.03868	2.5
241.25073	2.4
245.22664	61.7
251.75069	2.9
263.23721	88.5
264.72678	2.2
265.25262	3.9
337.27377	65.5
355.28363	5.1
402.10257	2.3
406.06381	2.4
513.30505	4.8
514.24939	2.4
530.38702	5.3
548.39337	8.9
568.61163	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	547.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.01862	3.3
55.05518	26.7
55.40517	1.7
57.03439	9.5
57.07083	4.3
65.03953	4.2
67.05511	91.6
69.03432	5.4
69.07076	22.7
71.04999	4.9
71.08652	2.4
71.21351	2.9
72.90947	1.8
79.05499	43.5
81.03426	51.7
81.07065	95.3
83.04977	11.8
83.08624	30.6
84.81548	1.7
85.02911	23.3
85.06552	3.6
91.05489	37.4
93.07045	37.6
95.04977	27.8
95.08614	56.4
97.06551	6.5
97.10176	8.2
99.08086	2.8
105.07048	28.9
107.04984	5.6
107.08614	21.2
109.06552	7.1
109.10166	25.1
111.08076	12.8
113.06016	3.0
117.07065	5.3
119.08591	23.7
121.06570	3.4
121.10157	16.7
121.62567	2.4
123.08125	3.2
123.11691	10.7
125.09682	2.6
129.07025	12.0
131.08577	13.8
133.06506	2.9
133.10146	18.0
135.11693	10.3
137.09618	3.7
137.13281	3.7
139.11258	2.0
142.07826	4.3
143.08595	3.3
145.10182	6.7
147.08104	3.4
147.11699	16.4
149.09633	5.7
149.13316	3.4
157.10146	10.1
159.11725	2.3
161.09593	1.9
161.13313	5.3
163.14874	3.3
165.12769	2.4
169.29292	2.0
173.09709	2.2
175.11179	13.2
177.16447	2.5
178.68134	2.0
193.12259	47.6
193.26593	1.9
211.13307	47.1
227.12796	3.2
245.22743	3.9
249.14844	2.5
263.23776	9.0
267.15939	9.5
273.12790	2.1
275.20233	2.0
303.27139	2.9
337.27536	8.6
437.33765	2.3
455.35211	3.9
473.36475	3.4
529.38940	13.5
547.39948	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	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67728	1.2
53.03946	4.7
53.20610	1.3
55.01876	3.6
55.05514	30.6
57.03447	9.2
57.07072	5.1
60.95449	1.3
65.03947	4.5
67.05507	84.8
68.78780	1.2
69.03432	4.5
69.07067	22.2
69.95163	2.4
69.95576	4.5
71.04993	5.5
71.08644	2.9
73.80869	1.3
79.05053	2.7
79.05495	42.1
80.92595	1.1
81.03423	50.2
81.07060	81.8
83.04982	7.5
83.08625	28.1
85.02906	19.2
85.06563	3.0
91.05486	37.0
91.34493	1.3
93.07052	36.7
95.04976	26.3
95.05556	2.0
95.08613	57.2
97.02911	4.0
97.06494	6.6
97.10174	11.0
99.08115	1.8
105.04525	1.3
105.07032	28.8
107.04971	5.2
107.08603	19.7
109.06523	5.0
109.10167	21.9
111.04482	1.8
111.08115	7.1
113.05965	1.2
117.07053	3.8
119.08585	24.4
121.06551	3.2
121.10150	17.7
123.08102	3.4
123.11713	11.6
124.38214	1.2
125.09657	2.9
129.06978	8.3
131.08559	12.4
133.06516	2.4
133.10132	15.0
135.08014	1.4
135.11676	6.3
137.13287	3.7
141.07088	1.4
142.07794	1.7
143.08624	2.6
145.10120	7.5
147.08041	3.1
147.11699	13.7
149.09633	5.5
149.13319	3.8
157.10164	12.7
159.11739	3.0
161.13319	5.3
163.11217	2.1
163.14845	3.1
169.10104	1.8
171.11751	2.9
175.11201	10.5
175.14862	2.9
181.61868	1.3
185.13243	1.7
189.11229	1.7
193.12253	43.4
211.13310	42.7
211.15187	3.0
227.12836	2.1
237.67619	1.2
245.22758	3.6
249.14876	2.4
263.23727	6.6
267.15982	13.5
303.23816	1.6
303.26962	4.8
337.27399	10.6
401.85080	1.4
437.34354	2.1
455.35074	6.2
473.36404	4.8
511.38373	1.6
529.38947	25.6
547.39996	100.0
548.40509	1.6
550.83765	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	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01870	3.4
55.05514	30.4
57.03443	9.2
57.07082	3.7
64.54258	1.2
64.54636	1.0
64.74047	1.0
65.03940	5.0
66.21397	1.0
67.05510	83.5
69.03440	3.7
69.07071	19.4
71.04998	5.7
71.08632	1.7
79.05498	42.4
81.03424	51.1
81.07063	88.5
83.04990	10.4
83.08626	27.7
85.02908	21.7
85.06550	2.8
88.92403	1.0
91.05488	41.8
93.07053	35.4
95.04976	24.2
95.08612	58.2
97.02885	2.5
97.06505	5.7
97.10181	7.1
99.08102	2.0
105.07040	29.1
107.04957	5.5
107.08612	18.1
109.06556	3.3
109.10168	21.9
111.04498	2.0
111.08086	11.5
113.06023	2.7
115.05435	1.8
117.07040	3.4
119.04945	1.1
119.08598	25.6
121.06493	1.8
121.10152	17.5
123.04426	1.3
123.08110	3.0
123.11720	8.7
125.09622	3.4
129.07021	6.5
131.08591	11.5
133.06558	2.0
133.10136	15.5
135.11707	4.7
137.09650	2.2
137.13278	4.2
142.07794	2.9
143.08566	1.5
145.10172	4.5
147.08087	2.4
147.11711	15.4
149.09657	4.2
149.13286	3.2
153.12833	1.2
157.10164	13.1
159.11717	2.1
161.13272	3.9
163.14879	3.1
165.12778	2.8
175.11235	12.7
175.14931	3.6
177.16388	1.8
189.11192	1.7
193.12256	42.6
199.14894	1.7
211.13310	52.0
245.22620	2.1
247.19925	1.0
249.14957	1.5
263.23761	7.4
267.15979	6.8
269.05737	1.3
287.23788	2.0
303.26828	1.6
315.35892	1.1
329.24634	1.2
337.27487	5.1
437.34058	2.1
455.35504	3.7
473.36359	1.9
475.96527	1.3
511.37531	1.5
529.38916	18.9
547.40021	100.0
548.40729	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	547.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01864	8.8
55.05272	3.0
55.05515	50.7
57.03442	14.5
57.07079	15.3
62.68419	2.5
62.94167	2.6
65.03946	4.7
67.05509	97.7
69.03430	7.0
69.07072	43.3
70.77892	4.0
70.78220	5.0
71.04994	7.2
71.08629	5.3
72.04518	69.8
73.04849	4.8
74.09705	3.9
79.05502	51.0
81.03424	54.1
81.06578	5.8
81.07061	100.0
83.04978	9.5
83.08621	33.5
85.06554	5.5
91.05486	48.0
93.07050	57.6
95.04974	42.8
95.08615	75.4
97.06540	10.8
97.10185	30.0
105.07043	40.2
107.04969	15.2
107.08600	38.0
109.06514	9.5
109.10162	40.2
111.08079	11.3
117.06999	14.3
119.04965	6.7
119.08588	33.0
121.06510	12.7
121.10155	28.5
123.04417	2.9
123.08097	6.4
123.11720	9.6
125.09653	13.9
128.89980	2.6
129.07010	15.0
131.08588	20.7
133.06499	3.2
133.10129	22.7
133.46829	2.9
135.08057	7.6
135.11736	16.9
137.09613	5.1
137.13313	4.5
141.07010	3.6
143.08566	7.8
145.10146	16.9
147.08063	7.2
147.11691	17.9
149.09624	5.3
149.13293	8.6
151.14836	4.6
153.09158	2.7
157.10117	7.5
159.11728	8.8
161.09671	3.6
161.13283	8.9
163.11208	14.7
163.14764	4.8
165.12744	3.5
171.11681	5.0
172.49840	2.5
173.13329	3.7
175.11209	11.2
175.14830	9.5
177.12770	10.7
178.13159	4.6
185.13324	4.3
187.13313	4.9
189.11281	7.4
190.70659	3.0
191.17981	3.4
193.12268	26.5
209.13326	3.7
211.13359	4.9
219.17465	3.0
220.13359	3.9
222.14917	3.4
227.10680	6.5
227.12836	13.9
228.10966	4.2
234.15033	5.9
235.15184	4.3
241.17871	5.1
245.22704	6.0
246.14172	2.7
249.14714	4.4
251.88576	3.0
263.23785	8.2
267.15930	48.8
284.12863	2.8
285.13098	5.0
285.25986	3.8
289.21674	5.3
303.26773	17.4
328.18826	3.9
329.19409	4.1
337.27350	42.8
341.19437	6.1
396.25244	7.3
397.25427	13.1
437.33954	6.2
455.35324	24.1
473.36295	14.1
529.38892	81.0
547.39935	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01875	8.0
55.05516	43.5
57.03438	14.4
57.07078	7.5
65.03943	3.9
67.05511	82.6
69.03429	3.5
69.07073	33.6
69.26801	5.2
69.27228	17.8
71.05004	12.5
71.08647	4.4
79.05500	49.6
81.03420	43.1
81.03857	4.0
81.06577	4.0
81.07063	78.5
83.05001	5.8
83.08625	34.0
85.06554	5.0
88.44616	2.2
91.05489	41.9
91.06011	4.0
93.07043	50.2
93.34534	2.0
95.04976	34.9
95.08617	60.8
97.02941	2.7
97.06551	7.8
97.10178	22.9
105.07037	35.5
107.04955	12.7
107.08602	31.9
109.06522	8.0
109.10167	31.6
111.08136	6.1
117.07034	9.8
119.08579	29.0
120.99682	2.2
121.06522	7.0
121.10169	21.5
123.08091	5.5
123.11691	11.3
125.09666	9.4
129.07042	9.2
131.08583	19.7
132.72586	2.0
133.10158	15.0
135.08086	4.8
135.11702	15.6
137.09662	6.2
139.11125	2.1
141.07042	3.6
143.08600	7.1
145.10126	16.4
147.08113	4.5
147.11716	10.6
147.96263	2.3
149.09679	5.5
149.13293	8.2
151.00244	2.1
155.08607	3.6
157.10150	11.5
159.11745	8.7
161.13307	6.7
163.11227	8.2
163.14859	6.0
165.12767	2.0
167.55785	2.2
169.12283	2.3
170.24716	2.1
171.11771	4.9
173.13272	3.8
175.09779	2.2
175.11195	5.0
175.14891	5.9
177.12891	4.2
179.14221	1.9
181.12392	2.0
183.11798	3.4
185.13208	2.0
187.14890	4.5
189.11296	5.1
189.16446	6.1
193.12276	20.5
199.14871	2.9
211.13235	4.2
216.54926	2.2
223.13293	4.4
227.12730	14.2
245.22722	5.2
249.14969	3.4
261.18600	2.7
261.22064	2.0
263.23801	4.9
267.15918	38.5
275.20135	2.6
279.47647	2.0
287.23724	4.8
289.21579	6.0
303.26837	14.4
315.19821	2.4
337.27374	31.5
378.05136	2.2
421.26138	3.3
427.35770	2.8
435.27206	3.9
437.34302	8.2
455.34985	19.5
473.36404	13.5
503.37430	2.8
529.38855	66.7
547.39978	100.0
548.40277	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	546.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33892	3.1
55.05504	8.4
57.03446	4.7
61.02926	4.6
61.67754	3.0
67.05508	38.6
68.05832	3.5
69.07073	9.8
71.04987	4.0
73.45344	2.6
79.05496	29.6
81.07059	50.1
83.08636	5.9
85.02911	8.1
91.05466	19.7
93.07053	40.5
95.04948	4.5
95.08611	39.7
97.06535	4.9
97.10169	3.4
98.21530	6.9
104.10752	6.2
105.07043	13.2
107.08600	23.3
109.10156	28.2
117.07025	6.1
119.08565	18.2
121.10147	25.4
123.08041	4.6
123.11720	16.2
131.08606	9.0
133.10123	14.8
135.11728	24.7
136.41115	3.0
137.13303	10.5
145.10091	15.9
147.11679	12.6
149.13274	16.8
151.11293	3.4
157.81059	3.0
159.11734	12.4
161.13258	9.0
163.14839	15.3
173.13269	12.0
175.14827	4.3
177.16347	5.5
179.14386	5.1
184.07343	6.6
187.14859	7.4
208.39584	3.4
233.22600	3.3
243.21120	41.4
261.22165	100.0
261.24838	5.7
335.26019	15.0
353.26996	32.3
394.03900	3.2
528.37482	3.7
546.38177	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	547.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60980	0.5
64.25763	0.5
69.29243	5.5
74.02419	0.6
91.05482	0.8
115.05473	1.3
117.05665	0.6
117.07012	1.0
118.06551	18.2
126.61254	0.6
130.06555	1.6
132.08099	4.8
140.07089	1.0
140.82628	0.5
142.06551	1.9
143.07317	2.5
144.04434	0.8
144.08102	11.9
146.06020	60.4
159.09195	6.5
167.45566	0.5
170.06052	4.1
188.07079	100.0
189.07405	1.1
205.09735	40.3
206.10121	0.7
219.38138	0.5
482.47314	0.6
484.41766	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	547.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
54.73106	1.4
55.01867	3.5
55.03670	1.3
55.05516	6.7
57.03429	5.6
57.54033	1.3
61.02935	9.3
67.05500	3.4
69.03435	27.6
69.07053	1.9
70.06586	6.0
70.33710	1.7
71.04979	3.0
71.57941	1.4
72.08164	1.9
73.02913	4.4
74.09702	2.3
79.05500	4.5
81.03426	11.4
81.07059	2.3
82.06602	1.8
83.04988	7.4
85.02911	100.0
87.04472	2.5
91.03957	5.8
91.05495	8.2
93.07047	4.8
95.04993	6.9
95.08592	9.0
97.02898	30.1
97.06517	3.3
97.97215	1.3
99.04452	8.1
101.02370	1.3
103.03964	1.7
105.07027	3.9
107.08589	4.4
109.02892	9.1
109.06519	5.2
109.10172	1.6
111.04493	1.8
112.19175	1.3
117.07057	2.5
119.08609	3.3
121.06519	40.5
121.10165	4.3
123.08082	57.4
125.05989	2.3
127.03926	29.8
127.79809	1.3
131.04924	1.7
133.06500	1.9
133.10112	2.2
135.08028	4.2
135.11710	4.3
137.05989	6.8
137.09578	1.6
139.07545	7.9
145.04959	30.8
145.10147	2.0
147.04465	2.3
149.06003	3.5
149.09624	12.8
151.07516	1.9
159.11670	2.9
161.09654	2.5
163.03928	2.5
163.06026	3.8
163.07436	1.6
163.11198	6.3
165.09126	82.4
167.07063	4.5
173.06041	1.4
177.12778	11.6
179.10666	5.7
187.11307	1.5
189.07568	1.5
189.09169	1.7
189.12698	3.0
205.12260	39.2
205.14182	1.9
207.13797	16.1
221.11691	2.0
223.13307	63.0
283.11792	1.5
287.71231	1.4
349.16437	1.7
367.17444	3.3
385.18585	13.5
547.16632	3.8
547.24426	4.2
562.96741	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	546.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01865	4.9
55.05510	15.4
57.03431	9.5
60.15653	3.8
61.02927	6.6
67.05508	64.2
69.07082	23.1
71.08643	8.7
71.48017	5.6
71.48362	4.9
79.05495	39.0
81.07063	66.0
83.08626	7.7
85.02927	7.9
91.03962	6.0
91.05492	32.6
93.07056	55.7
95.04924	7.0
95.08623	58.2
97.10144	5.5
105.07033	27.3
106.54221	4.3
107.08617	35.8
109.06542	10.0
109.10155	41.1
111.08086	4.8
117.07010	10.6
119.08594	24.3
121.10146	31.8
123.08072	18.3
123.11722	22.0
124.12070	4.3
125.09592	5.8
129.06947	3.8
131.08569	17.2
133.10129	21.1
135.08057	11.1
135.11713	21.7
137.13286	8.5
145.10121	18.2
146.10542	4.6
147.11691	18.9
149.13246	17.1
151.11147	4.0
159.11705	15.3
161.13268	16.2
163.14813	12.2
171.11565	5.8
173.13272	13.3
175.14809	9.2
179.14365	20.4
184.07362	9.0
187.14828	6.2
233.22600	4.0
243.21077	35.3
261.22165	97.8
263.23489	5.0
289.21716	8.2
303.26633	4.9
331.26279	14.6
335.25870	24.6
353.26907	27.0
387.29126	7.5
405.29968	100.0
528.37524	12.3
546.38440	24.3
562.62201	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	546.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01963	0.4
51.02374	0.5
51.38306	0.4
53.03951	0.7
65.03951	2.0
67.05510	0.9
68.05038	0.8
69.03434	1.0
69.07072	0.6
69.38558	3.7
70.06599	7.6
72.08140	0.7
79.05490	1.1
81.03426	3.1
81.07058	1.2
82.06599	0.6
85.02902	1.5
86.09685	0.7
86.82435	0.5
91.05496	0.9
93.07082	0.8
94.06588	0.6
95.04977	2.7
96.08132	1.8
97.02899	1.6
107.08598	0.7
109.02872	1.2
110.06073	0.6
111.04465	1.1
112.07623	1.8
117.06990	0.6
119.04964	0.6
121.02883	28.6
123.04441	62.9
123.06834	1.5
124.07606	29.5
127.03918	0.9
128.07080	3.3
132.05511	0.5
136.07582	0.6
137.02350	1.9
139.03951	2.1
141.07912	0.7
142.08644	11.8
145.02902	0.5
147.04414	1.8
161.06050	0.5
162.05466	0.5
163.03934	1.1
183.49548	0.4
215.83096	0.5
218.08185	1.1
236.12924	0.9
243.93207	0.5
246.11288	19.6
264.12335	100.0
265.07065	1.4
265.12595	1.8
274.13116	0.7
283.08121	0.7
292.13861	0.5
336.12955	1.2
384.14581	1.8
546.21039	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.6
53.03946	3.7
55.01876	5.8
55.05263	2.4
55.05515	37.6
57.03435	9.5
57.07082	2.5
59.04992	3.1
65.03943	3.7
67.05508	66.0
69.03426	4.8
69.07073	13.9
71.04999	4.5
71.39105	2.2
72.34780	1.2
79.05495	50.4
81.03424	24.9
81.07063	65.6
83.04982	5.8
83.08631	23.0
85.02879	1.8
85.06558	2.6
91.05486	37.2
93.07048	44.7
95.04971	19.1
95.08614	43.0
97.06546	3.9
97.10172	20.9
105.07038	32.2
105.07694	1.2
107.04953	7.9
107.08603	32.4
107.34488	1.6
109.06545	4.0
109.10161	25.7
111.08096	5.6
117.07044	17.4
119.04946	1.4
119.08589	26.0
121.06528	8.1
121.10132	16.9
123.08078	3.2
123.11719	7.7
125.09658	17.0
128.06209	2.5
129.07040	9.3
131.08563	25.8
133.06491	2.5
133.10152	18.2
135.08072	6.1
135.11690	15.8
137.09612	3.5
137.13249	3.3
143.08582	8.3
145.06580	2.5
145.10123	22.3
147.08086	4.1
147.11699	14.9
149.09651	3.0
149.13264	7.0
151.11218	1.6
153.12721	2.2
155.08527	4.4
157.10179	8.9
159.08075	2.1
159.11684	13.3
161.09663	2.3
161.13275	8.6
163.11143	10.4
163.14790	2.8
169.10162	5.4
171.10309	2.1
171.11606	6.6
173.09662	2.2
173.13237	10.7
175.11282	4.1
175.14813	4.1
181.10155	1.8
183.11749	3.7
184.60231	1.6
185.13330	5.1
187.11255	1.8
187.13280	1.4
187.14894	4.2
189.11272	9.4
193.12244	7.9
197.13283	2.1
199.14828	3.0
201.12784	1.7
201.16499	3.1
203.14371	2.0
209.13417	1.7
213.16296	1.8
227.12735	17.9
233.15387	1.8
243.21169	3.9
247.16951	1.4
249.14713	1.7
261.18301	1.6
261.22205	12.4
266.94946	1.5
267.15952	19.4
275.20261	2.1
279.22983	1.7
283.24347	1.9
285.22217	3.6
295.22647	1.8
299.23914	1.9
301.21924	1.7
301.25226	20.2
303.23297	2.4
317.24918	3.3
329.21179	1.7
329.24677	1.4
335.25891	15.6
339.27231	2.0
357.27972	1.7
359.26022	2.3
394.44370	1.6
403.24725	2.5
421.25845	2.4
435.27335	2.6
435.32724	7.5
453.33783	17.7
471.34708	12.1
527.37347	53.0
545.38391	100.0
546.38727	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07128	1.0
51.02374	1.2
52.68449	1.0
53.03949	6.4
53.46553	0.9
55.01875	4.3
55.05262	1.7
55.05518	30.8
57.03441	9.6
57.07070	2.9
59.04986	0.8
65.03935	4.5
67.05512	66.4
67.34892	0.8
69.03453	5.2
69.07078	16.6
69.85296	2.0
69.85671	5.2
71.04999	6.5
77.03934	1.2
79.05502	66.5
81.03429	46.4
81.03912	2.3
81.07066	64.0
83.04997	10.6
83.08627	21.8
85.02913	23.2
85.06555	3.8
91.05491	53.6
93.07055	61.7
95.04980	27.7
95.05491	0.7
95.08615	40.7
97.02925	2.1
97.06553	6.1
97.10175	8.6
99.08087	2.1
103.05466	1.0
105.04497	1.4
105.07047	33.5
107.04957	5.2
107.07864	1.9
107.08605	32.4
109.06529	5.0
109.10160	18.5
111.04455	2.7
111.08100	11.0
112.46570	1.0
113.06031	1.4
115.05468	2.9
117.07021	10.6
119.04965	1.3
119.08597	31.0
121.06532	2.4
121.10158	29.9
123.08105	3.9
123.11710	4.9
125.09650	5.4
127.07548	1.1
128.06174	1.3
129.07033	11.2
131.08580	24.8
133.06517	2.2
133.10138	20.9
135.08073	1.9
135.11702	10.4
137.09631	3.4
141.06975	1.4
142.07800	2.0
143.08580	4.9
145.10127	11.7
147.08112	4.5
147.11702	18.1
149.09683	4.9
149.13293	5.1
155.08553	2.0
157.10139	13.6
159.11719	8.3
161.13307	5.7
163.11240	1.5
163.14876	2.1
163.82297	1.0
165.12773	3.3
169.10170	1.4
171.11752	3.2
173.13254	5.3
175.11227	14.2
175.14827	1.7
181.10159	1.5
183.11700	1.5
185.13356	1.8
187.14888	3.0
189.11317	2.0
189.16489	1.5
193.12267	46.6
195.11984	1.0
197.13211	1.6
199.14917	1.2
201.16347	1.4
203.18027	1.4
211.13306	46.7
227.12840	3.2
243.21049	2.3
244.07610	1.2
259.20645	1.3
261.18436	1.1
261.19510	1.1
261.22192	8.2
267.15863	5.6
279.23227	1.2
285.22256	2.1
299.23776	1.0
301.22238	0.9
301.25192	5.2
303.23257	1.3
335.26007	5.4
347.49954	1.0
435.32632	4.0
453.33627	4.4
471.34827	3.2
509.36453	1.0
527.37421	18.4
545.38428	100.0
546.38440	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39659	1.5
53.03939	7.0
53.10656	1.4
55.01869	3.8
55.05510	24.6
57.03445	10.8
57.07072	2.4
65.03931	3.0
67.05505	59.5
69.03419	3.1
69.07066	13.7
70.94804	4.3
71.04974	5.1
79.05494	45.8
81.02987	1.9
81.03426	33.3
81.07058	51.4
83.04970	5.9
83.08620	18.0
85.02911	9.4
85.06558	2.8
91.05487	40.9
93.07046	45.4
95.04978	20.9
95.08055	2.0
95.08613	31.5
97.06528	4.8
97.10184	12.4
99.08115	2.2
105.07032	30.3
107.04951	4.7
107.08592	23.2
109.06526	5.0
109.10154	14.4
111.08083	7.1
115.05456	1.7
117.07012	9.5
119.08590	23.2
121.06522	3.1
121.10152	16.9
123.11722	5.9
125.09634	8.0
128.06189	2.1
129.06998	7.1
131.08571	22.9
133.06505	3.4
133.10150	14.6
134.57924	1.6
135.08083	2.5
135.11687	9.8
141.06975	1.8
143.08569	4.6
145.10120	12.5
147.08063	3.2
147.11684	12.1
149.09680	2.8
149.13283	5.1
151.11221	1.8
153.12762	1.7
155.08540	2.8
157.10126	11.4
159.11711	6.6
161.09666	1.8
161.13232	7.8
163.14839	2.5
165.12747	1.7
171.11678	3.3
173.11949	1.9
173.13257	8.4
175.11162	8.5
175.14841	1.9
179.14294	1.5
181.10201	1.9
183.11736	2.6
185.13336	4.3
187.14876	4.1
189.11191	3.0
193.12257	25.8
195.11761	2.1
197.13326	2.1
207.13736	1.8
211.13280	25.7
211.15034	2.8
227.12805	6.5
231.17334	2.0
243.21027	2.7
261.22168	12.5
267.15903	13.7
274.22382	1.7
285.22192	2.7
301.25311	13.0
303.23224	3.0
335.25873	5.9
359.25894	1.6
435.32742	7.2
453.33768	11.7
471.34808	6.2
491.35117	2.2
509.36453	2.4
527.37341	36.7
545.38373	100.0
546.37830	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.7
55.01866	4.5
55.05260	2.5
55.05514	33.0
55.05780	2.2
56.31639	1.2
57.03440	11.7
57.07066	3.0
62.51958	1.3
62.87982	1.2
63.32738	1.4
65.03958	4.8
67.05511	66.7
67.05874	3.3
69.03431	5.9
69.07079	16.1
71.04990	5.9
79.05499	66.4
81.03423	43.9
81.07063	64.7
81.47739	1.4
81.80780	1.3
83.04998	10.9
83.08629	22.5
85.02913	23.5
85.06554	4.0
91.05490	55.3
93.07052	63.5
95.04978	26.0
95.08616	40.1
97.02885	2.5
97.06529	5.6
97.10175	9.1
99.08102	2.1
103.05466	1.7
105.04529	1.5
105.07040	41.6
107.04954	6.3
107.08595	30.6
109.05885	1.4
109.06476	6.7
109.10167	16.6
111.08076	10.4
113.06019	3.2
115.05418	3.1
116.06255	1.5
117.07004	10.5
119.08597	32.9
121.06570	2.2
121.10160	33.4
123.08094	5.1
123.11685	6.3
125.09650	5.6
128.06219	1.6
129.07025	13.0
131.08589	24.1
133.06522	3.1
133.10146	20.2
135.08054	2.4
135.11716	13.3
137.09647	2.4
142.07803	3.7
143.08553	7.0
145.10138	12.1
147.08060	2.9
147.11705	19.6
149.09648	5.1
149.13283	6.3
151.11143	1.6
155.08499	1.6
157.10130	13.0
158.10538	1.4
159.11702	10.2
161.13312	5.7
163.11151	2.9
163.14813	2.0
165.12790	3.0
169.10185	3.2
171.11725	5.0
173.13307	5.1
175.11194	12.9
175.14786	3.3
177.16341	1.5
183.11739	2.0
185.13225	3.3
187.14850	2.9
189.11244	2.7
193.12260	45.4
195.11928	1.4
197.13293	2.1
199.14853	2.2
201.16472	2.3
211.13310	46.6
227.12787	2.6
243.20866	1.8
261.22171	7.0
267.15945	7.8
301.25305	6.1
317.24796	1.7
335.25848	5.6
343.70959	1.6
417.31635	1.6
423.90933	1.4
435.32571	5.8
453.33600	3.1
471.34744	4.3
527.37305	21.2
545.38397	100.0
546.38690	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
53.04723	1.2
55.01874	4.2
55.05514	26.8
56.11344	1.2
57.03437	6.9
57.07067	1.9
65.03940	2.9
67.05507	61.5
67.05872	3.2
69.03435	3.3
69.06764	1.7
69.07072	16.2
69.85771	5.4
71.04991	5.6
74.38881	1.3
74.40811	1.3
77.03933	2.2
79.05495	52.3
81.03419	39.6
81.07056	50.6
83.04977	10.3
83.08611	19.5
85.02911	17.3
85.06553	2.3
91.05487	42.4
93.07046	46.8
95.04969	22.2
95.08609	35.1
97.02912	1.7
97.06541	5.1
97.10172	7.0
98.20859	1.4
100.08833	1.3
105.07040	28.0
107.04944	5.7
107.08590	24.9
109.06522	3.7
109.10169	12.7
111.04473	1.4
111.08069	9.9
115.05476	1.8
117.07028	9.9
119.08591	29.2
121.06522	1.5
121.10140	26.4
123.08099	3.5
123.11720	6.1
125.09670	2.5
129.06998	9.4
131.08568	20.0
133.06538	2.3
133.10126	16.0
135.08084	1.6
135.11696	13.5
141.06967	1.5
142.07768	2.6
143.08549	5.6
145.10135	11.2
147.08075	3.4
147.11681	14.5
149.09644	3.1
149.13210	6.2
151.11258	2.1
155.08540	2.1
157.10132	12.1
157.37906	1.3
159.11671	7.8
161.13272	4.1
162.83775	1.3
163.11241	1.8
163.14868	1.7
171.11757	3.6
173.13255	6.4
175.11211	8.2
175.14780	2.4
181.10277	1.6
187.14867	3.5
189.11240	3.1
193.10663	1.1
193.12254	36.3
211.13277	39.8
227.12822	5.0
259.20544	1.5
261.22211	5.7
267.15909	8.8
267.21375	1.5
285.16965	1.7
285.22202	3.2
297.65918	1.4
301.25308	5.4
305.61707	1.7
317.25052	1.9
335.25961	5.2
367.72955	1.3
368.91052	1.3
417.31232	2.2
435.32620	4.7
453.33896	5.3
471.34775	3.9
489.03220	1.3
509.36661	1.8
527.37311	20.3
528.37006	2.0
545.38403	100.0
546.38104	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01873	4.8
55.05518	30.7
57.03440	8.4
57.07073	2.2
65.03943	4.0
67.05511	64.4
69.03425	4.7
69.07079	15.3
70.84847	3.9
71.04985	4.3
79.05499	32.9
81.03423	22.7
81.07064	56.4
83.04977	6.0
83.08628	20.8
85.02911	1.6
91.05490	34.3
93.07053	38.9
95.04994	19.7
95.08615	39.1
97.06536	5.4
97.10163	15.7
105.07046	31.6
107.04956	6.6
107.08606	30.0
109.06532	4.9
109.10166	24.9
109.24668	1.7
111.08092	5.5
115.05495	1.6
117.07026	12.0
117.07729	1.8
119.08595	24.0
121.06521	9.2
121.10137	15.9
123.08065	4.0
123.11702	9.8
125.09654	12.3
128.06233	2.3
129.07010	8.6
131.08597	23.4
133.06480	2.5
133.10144	22.1
135.08075	6.8
135.11728	9.5
137.09616	3.6
137.13303	2.6
141.06958	2.7
143.08597	6.7
145.06485	2.0
145.10155	18.8
147.08078	4.0
147.11714	14.6
149.09625	4.8
149.13283	5.5
155.08554	5.8
157.10126	8.5
159.11713	14.1
161.09651	3.1
161.13281	7.3
163.11217	3.5
163.14854	2.4
169.10208	5.3
171.11681	5.8
173.09645	2.8
173.13281	7.5
175.11200	3.2
175.14841	5.4
177.12694	1.7
183.11745	4.7
185.09662	2.1
185.13306	6.3
187.14868	4.5
189.11205	9.1
191.14304	2.1
193.12364	9.7
197.13295	3.3
199.14819	3.7
211.13258	2.1
219.17567	2.6
227.12817	15.7
233.15416	2.8
243.21141	2.1
247.17059	2.7
261.19516	2.1
261.22165	12.6
267.15897	22.1
279.23352	2.1
285.22183	3.8
287.19949	2.2
299.23477	2.4
301.22012	3.3
301.25244	17.0
303.23322	3.5
317.24954	3.5
335.22232	2.9
335.25803	15.3
359.25928	3.7
376.48752	1.8
421.25854	3.6
435.27475	3.6
435.32803	9.2
453.33682	17.4
458.35529	1.9
471.34747	13.2
527.37378	57.2
545.38409	100.0
546.38599	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	545.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05512	1.4
62.01137	0.6
65.03956	0.9
67.05470	0.7
67.43583	0.7
69.03449	4.2
69.07052	1.0
71.04994	0.7
71.59196	1.5
79.05494	9.5
81.03404	3.0
81.07056	1.2
83.04988	1.7
85.02927	1.5
86.09679	0.8
89.03925	8.2
89.84235	0.7
91.05479	3.5
93.07052	1.8
95.04967	2.5
95.08633	1.7
97.20620	0.8
103.05489	4.8
105.07025	6.9
107.08587	3.5
109.02892	1.5
109.06532	0.8
111.04437	0.9
111.08081	1.4
115.05490	0.8
117.03382	18.0
117.07001	0.8
119.08595	3.1
121.06519	3.1
121.10138	1.2
123.08045	1.3
127.03910	1.1
131.08617	1.3
132.10205	0.8
133.06497	65.9
133.10104	1.8
134.03648	1.7
135.04448	1.6
135.08058	2.4
143.08557	0.9
145.02852	47.3
145.10101	1.2
146.07240	1.1
147.04453	1.2
147.08040	2.6
147.11697	1.1
149.05981	5.7
149.09596	1.3
151.03880	0.9
158.10803	1.1
161.09639	1.3
163.03908	0.8
163.11205	2.7
173.13245	0.9
177.05481	100.0
186.05505	1.3
187.11130	0.7
189.12746	15.8
191.14325	11.5
195.06596	1.1
207.13844	5.2
214.24731	0.9
321.09680	3.1
337.17987	1.5
339.10675	3.8
545.32477	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	543.3684
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03941	2.0
55.01868	2.7
55.05515	17.6
57.03429	3.8
58.34935	1.2
65.03931	2.8
66.82618	1.1
67.05175	1.6
67.05510	25.7
67.05868	1.3
69.03438	1.5
69.07069	8.2
70.62572	2.1
70.62908	1.4
71.04996	1.5
79.05496	21.4
81.03418	7.5
81.07058	22.8
83.04974	2.6
83.08620	7.7
91.05485	20.0
93.07050	18.6
95.04951	6.3
95.08614	16.9
97.06529	2.6
97.10172	8.7
103.05479	1.0
105.07042	19.2
107.04955	2.9
107.08589	12.1
109.06547	3.1
109.10174	11.9
111.08105	1.1
115.05452	2.1
117.07027	11.4
118.00060	1.1
119.08587	13.9
121.06503	3.3
121.10145	4.9
123.08060	2.0
123.11671	2.3
125.09624	7.5
128.06245	2.5
129.07022	10.1
131.08572	15.7
133.06532	2.0
133.10136	9.0
133.98492	1.1
135.08069	2.9
135.11688	3.2
137.09691	1.1
141.07036	2.9
142.07732	2.2
143.08577	10.7
145.06537	2.4
145.10132	13.4
147.08060	1.9
147.11700	4.9
149.09612	2.5
149.13226	1.7
152.63632	1.1
155.08594	7.5
156.09323	1.3
157.10126	9.3
159.08087	2.6
159.11702	9.6
161.09552	2.3
161.13304	3.0
163.11253	2.2
166.07838	1.4
167.08582	3.3
169.10175	5.9
171.08134	1.8
171.10388	1.7
171.11705	9.5
173.09689	3.3
173.11836	2.1
173.13286	6.6
175.11191	1.3
177.12849	1.3
179.08611	2.0
181.10190	4.5
183.11746	5.1
185.09679	1.4
185.13255	5.2
187.11243	1.8
187.14894	3.7
189.11287	2.6
193.10225	1.1
193.12376	2.4
195.11737	3.9
197.13335	4.2
199.14874	3.5
201.12833	2.3
203.14378	1.8
207.11700	1.3
209.13298	2.7
211.14905	2.2
213.16408	2.2
215.18318	1.1
223.14828	1.6
225.16399	1.4
227.12773	3.0
237.16408	1.4
241.19560	1.7
257.19089	1.9
259.20667	3.6
266.59171	1.1
267.15872	2.1
275.20233	1.6
283.20779	2.3
297.22119	1.8
299.20636	1.4
299.23636	5.7
301.21576	1.5
313.21729	1.9
327.23471	1.5
339.23306	1.6
415.30038	1.6
423.32678	2.1
433.31119	6.3
451.32190	9.5
469.33136	4.7
481.20737	1.1
507.34756	1.4
515.37274	2.9
525.35760	19.1
543.36871	100.0
544.37286	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	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.8
53.03954	4.2
55.01876	3.4
55.05516	13.9
57.03417	2.9
57.03665	0.6
57.07056	2.1
59.00440	0.6
59.11961	0.6
59.37290	0.7
65.03923	2.2
67.05511	37.3
69.03437	1.5
69.07077	12.5
69.66673	4.2
70.15700	0.5
71.05007	3.6
73.02914	0.9
77.03876	1.1
79.05500	48.0
81.03394	2.5
81.07062	34.7
83.04979	4.4
83.08624	9.5
85.06517	1.2
87.09212	0.6
91.04902	0.8
91.05489	26.9
93.07053	58.8
95.04971	10.6
95.08615	43.4
97.02885	3.1
97.06561	4.0
97.10164	2.1
99.04475	3.4
100.66859	0.6
100.75252	0.6
101.94480	0.6
103.05482	1.0
105.04513	1.3
105.06385	1.0
105.07042	16.1
107.04970	8.3
107.08606	33.6
109.06522	2.8
109.10168	7.8
111.04471	0.9
111.08093	1.7
115.05435	1.0
116.06277	0.8
117.06230	0.8
117.07035	12.2
119.07780	1.2
119.08588	15.7
121.06532	5.0
121.09309	1.3
121.10153	21.1
123.08047	0.8
123.11682	1.9
125.06002	1.7
125.09615	1.1
126.31806	0.7
129.06993	1.7
130.07791	2.5
131.08575	7.7
133.10124	6.7
135.08052	1.7
135.11705	45.2
137.09590	0.9
137.13321	0.8
139.07552	1.4
143.08531	1.7
145.10139	27.5
145.11288	1.4
147.11725	3.5
149.09639	0.8
149.13300	3.6
153.12718	0.8
155.08572	0.9
157.10112	1.7
159.11710	4.0
161.13266	2.5
163.11197	52.6
169.10089	0.9
171.11679	0.9
173.09669	1.1
173.13283	2.2
177.12785	0.9
181.12251	12.8
183.11760	1.0
185.13292	0.7
187.14816	1.3
199.14861	0.9
201.16319	0.8
209.11792	2.1
227.12799	100.0
228.13051	0.8
243.21039	1.6
261.22110	6.3
275.20172	1.5
283.15338	0.7
317.24826	2.1
328.41504	0.7
451.32120	1.0
469.33188	1.2
525.35980	1.2
543.36835	49.7
544.36975	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	543.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01867	3.9
55.05514	16.3
67.05508	33.0
69.03407	5.3
69.07069	17.7
71.59631	2.2
73.84376	2.9
79.05504	18.4
81.03423	3.1
81.07066	43.2
83.04958	3.6
83.08588	7.8
85.02914	5.4
85.06537	3.3
87.00828	2.7
91.05480	29.5
93.07047	28.8
95.04955	5.9
95.08055	3.0
95.08611	45.8
97.06512	8.7
97.10143	6.9
99.08086	5.1
100.65707	2.7
105.07034	41.1
107.04956	2.7
107.08601	46.2
109.06493	6.4
109.10163	30.3
111.08086	7.1
117.07007	10.8
119.08586	47.9
120.29082	2.7
121.06500	10.5
121.09394	2.9
121.10149	24.5
123.08041	9.4
123.11749	13.3
125.09638	16.2
129.06993	7.2
131.07024	2.7
131.08582	23.7
133.06526	16.6
133.10143	34.4
135.08067	21.6
135.11662	10.3
137.09612	7.6
137.13223	3.9
142.07759	3.7
143.08574	15.2
145.06407	2.9
145.10133	29.9
147.08046	20.6
147.11739	17.7
149.09596	7.3
149.13258	5.5
151.11186	18.5
155.08551	5.5
156.09308	5.0
157.10144	18.0
158.10883	3.3
159.08008	9.4
159.11711	28.1
161.09612	17.6
161.13226	14.5
163.11160	4.3
163.14774	3.9
165.09161	3.3
165.12685	3.4
169.10098	9.2
170.10938	5.2
171.08051	3.3
171.11763	15.4
173.09576	7.5
173.13231	14.0
175.11162	17.7
175.14873	13.4
177.12744	6.0
177.16302	4.5
181.10049	4.8
183.11646	8.5
185.09528	3.0
185.13280	14.8
187.11136	9.2
187.14838	11.0
189.12737	13.7
189.16359	8.0
191.14392	6.3
195.11694	3.3
197.13234	6.0
199.11201	4.4
199.14816	4.8
201.12756	16.4
201.16408	6.5
203.14325	74.7
205.15843	5.2
209.13199	5.9
211.14766	5.5
213.12761	5.6
213.16386	9.9
215.14276	12.5
215.17949	7.2
217.15874	24.3
219.13829	13.8
219.17328	3.2
223.14815	3.0
227.14345	5.4
227.17928	4.0
229.15953	14.1
231.17412	5.7
233.19070	4.3
239.17969	3.1
241.19366	3.3
243.17491	13.1
255.17299	3.5
257.18994	4.3
269.18930	5.4
269.22159	2.7
271.20493	6.6
283.20477	5.3
284.17719	2.6
295.06055	3.9
295.20508	3.5
297.22025	5.3
340.85468	2.5
353.49765	2.7
393.31387	7.3
403.07123	2.8
403.29944	16.9
421.31049	48.7
439.32184	27.3
499.34000	12.9
499.40430	2.6
525.31812	3.5
543.33051	100.0
544.33423	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	543.3319
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
53.03936	0.6
53.59251	0.4
55.01848	0.5
55.05512	2.9
57.03435	0.5
57.07072	0.8
62.14825	0.3
67.05505	5.5
69.03424	1.1
69.07080	2.5
70.90788	0.8
70.91125	0.5
71.04987	0.4
79.05491	5.2
81.07063	7.5
83.04978	0.8
83.08630	1.9
91.05484	7.0
93.07044	7.9
95.04967	1.7
95.08616	11.5
97.06530	1.0
97.10166	0.6
99.81743	0.4
100.73618	0.4
103.05442	0.6
105.07033	13.0
107.04956	1.3
107.08596	12.1
109.06516	2.4
109.10157	7.5
111.08076	1.0
114.06795	0.4
115.05448	1.1
117.07019	2.7
119.08584	15.8
121.06532	2.7
121.10145	7.4
122.16904	0.4
123.08088	2.2
123.11699	1.4
125.09634	0.7
128.06213	0.6
129.06996	1.8
130.07774	0.8
131.08562	5.8
133.06496	7.9
133.10130	9.7
135.08060	41.8
135.11665	2.4
137.09608	1.4
141.06975	0.8
142.07782	1.8
143.08551	4.6
144.09395	0.4
145.06488	0.8
145.10124	8.2
147.08040	6.5
147.11679	5.6
149.09630	4.8
149.13324	1.1
151.11183	1.5
153.09076	0.4
155.08583	1.3
156.09340	1.1
157.10136	5.6
158.10905	0.5
159.08067	2.6
159.11676	6.2
161.09622	13.5
161.13303	2.7
163.03923	1.2
163.11215	0.7
163.14877	0.5
167.08574	0.6
169.10114	2.2
170.10982	0.6
171.08107	0.8
171.11699	4.3
172.08853	0.6
173.09636	2.4
173.13284	5.8
174.10371	0.7
175.11198	9.9
175.14795	3.6
177.12756	1.9
181.10162	0.8
182.10873	0.8
183.11737	2.1
185.09674	1.3
185.13263	3.2
187.11230	1.4
187.14830	2.6
189.12761	3.7
189.16409	2.3
191.14389	1.0
193.12302	1.2
195.11696	1.0
197.13257	1.7
199.11159	1.4
199.14899	1.9
201.12733	3.9
201.16411	1.2
203.14330	21.7
203.17683	0.8
205.15944	1.0
209.13252	0.9
211.14861	1.3
213.12898	0.9
213.16393	2.9
215.14378	1.8
215.17982	1.1
217.15872	8.2
219.13760	2.1
225.16475	1.2
227.14301	1.1
227.17946	0.7
229.15881	0.8
231.17458	1.5
237.16331	0.5
241.15916	0.6
243.17526	1.8
251.18034	0.8
253.19432	0.6
255.17426	1.0
257.19196	0.5
265.19623	0.7
269.19000	1.0
271.20627	0.5
295.20688	0.5
309.22012	0.6
317.09641	0.4
333.22220	0.6
393.31635	0.7
403.29977	2.0
421.31042	6.7
439.32132	5.6
499.34235	15.0
500.34515	0.5
507.30875	0.4
525.32465	1.1
543.33179	100.0
544.33557	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	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76557	0.6
68.87684	0.6
69.37206	5.8
76.88584	0.6
80.81587	0.6
112.48543	0.6
112.89599	1.2
114.89365	1.0
153.13464	0.6
170.43755	0.6
180.22955	0.6
232.27422	0.7
322.55481	0.8
363.06973	1.4
381.07990	17.3
439.52133	0.8
505.29330	0.8
543.13257	100.0
544.13733	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	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01716	0.5
68.84810	0.5
70.19093	1.5
78.67588	0.4
86.16759	0.5
87.04461	0.8
98.97581	1.8
102.97427	0.5
109.20662	0.5
110.92382	0.6
116.69192	0.5
116.98612	1.0
128.98601	0.5
158.99667	0.5
189.00760	0.8
194.80727	0.5
219.01846	0.6
245.05141	0.9
298.25995	0.5
363.06912	1.3
381.07928	18.0
423.08237	0.6
543.13202	100.0
544.13751	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	543.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81707	0.9
58.93539	0.9
59.96402	0.8
69.45728	1.6
69.46133	6.9
70.06601	1.8
91.05443	1.5
94.06566	1.9
98.20724	1.8
105.95374	0.8
117.07032	1.6
118.06552	18.0
122.06075	1.6
122.38712	0.9
130.06555	2.2
132.08057	5.3
138.05511	1.9
138.09138	3.7
139.03809	1.1
142.06473	1.9
143.07243	2.5
144.04427	1.2
144.08096	11.0
146.06018	64.4
156.06569	7.8
159.09196	5.3
166.08655	15.5
170.05962	4.7
188.07077	100.0
189.07471	1.5
200.13728	0.9
205.09738	41.2
206.08342	1.5
214.08601	1.4
230.11745	1.9
232.09769	1.2
239.11905	2.6
258.11111	1.7
262.10608	1.3
267.11264	6.9
276.12271	3.9
285.12323	4.0
303.13522	4.6
304.11816	8.0
321.14493	17.4
553.94714	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	542.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61309	0.7
55.01845	0.7
55.05496	3.3
57.07082	32.3
67.05526	3.7
69.07059	3.3
71.08641	24.0
71.60444	1.3
73.06562	8.1
79.05483	2.7
79.47015	0.8
81.07058	3.1
82.07395	1.1
83.08607	3.1
85.09716	1.4
85.10191	21.7
87.04478	5.5
87.99310	0.8
89.06041	100.0
91.05491	2.2
93.07044	2.4
95.04976	1.5
95.08580	2.4
97.10162	3.5
99.11749	4.4
99.50632	0.8
105.07030	2.4
107.07071	3.4
107.08607	1.6
110.14491	0.8
113.13322	0.9
117.06998	1.0
117.09127	5.0
119.08558	1.4
130.08630	2.4
131.07053	1.8
131.08556	1.3
133.08614	53.4
139.10837	0.7
139.49355	0.8
143.08542	1.4
145.10190	1.5
155.17986	4.4
157.10184	1.4
159.11717	1.0
161.11679	1.5
175.09720	1.3
177.11235	18.8
199.20641	4.4
221.13824	2.7
236.48161	0.8
239.14935	1.1
243.23230	7.9
283.17639	1.8
285.87918	0.9
287.25827	4.8
332.72595	1.0
352.67871	0.8
371.22775	6.6
386.03983	0.8
525.39960	6.6
542.38641	1.6
542.53674	1.2
543.36639	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	542.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24514	0.8
53.03942	0.8
56.49067	0.9
63.15536	0.9
67.05497	2.0
70.06581	3.8
71.53480	1.6
79.05499	3.1
80.05023	1.9
81.03421	1.0
81.05800	1.6
81.07029	1.0
82.06613	1.4
86.09712	0.9
91.05487	5.0
92.24833	0.9
93.05769	0.8
93.07055	10.4
94.06577	10.7
95.04984	1.8
95.07366	11.5
95.08618	1.4
96.08139	24.2
97.06544	2.3
103.05466	1.4
105.05771	0.9
108.08121	20.5
109.08899	1.7
110.09689	46.2
112.07631	2.5
118.06551	1.6
119.61289	0.8
120.08114	33.5
121.06487	1.0
121.46645	0.7
122.05976	1.3
123.06805	2.0
124.07551	1.7
134.71507	1.0
136.07574	11.3
138.05518	3.7
138.09149	50.9
142.01881	0.9
144.04498	0.7
146.06021	16.5
148.07585	8.4
150.09169	0.9
152.07069	0.8
154.08656	1.2
158.08179	2.9
162.05528	2.0
166.08656	100.0
167.09196	0.9
172.03998	2.4
174.05522	2.5
199.08673	1.5
199.61258	1.0
204.06653	2.2
206.08183	5.3
209.10860	1.2
211.08725	4.4
213.10211	2.1
223.08730	2.9
224.09410	1.7
225.10284	5.4
227.08232	3.6
227.11816	1.3
237.10213	12.1
238.11084	1.9
239.08199	7.1
239.11882	3.9
241.09706	4.6
243.11215	0.9
247.08614	1.5
251.08276	4.3
253.09718	14.3
254.08249	1.3
255.11275	4.6
261.08154	0.9
265.09723	27.6
266.10449	1.6
267.07727	2.9
267.11304	9.1
269.09094	1.2
271.81769	0.9
279.07706	1.3
280.08408	1.2
281.09244	17.8
283.10800	15.0
284.09161	1.3
285.12393	1.2
287.10135	1.6
293.09213	18.3
294.09921	1.1
295.10803	16.8
297.08591	1.0
299.10284	5.1
301.11819	6.7
309.08597	3.3
311.10318	16.2
313.11954	5.3
321.08640	7.8
322.07062	1.3
325.11575	1.6
327.09741	18.1
327.13031	0.7
330.12555	1.7
331.13135	1.4
339.09775	26.4
341.11389	3.4
343.13144	1.0
353.11472	3.1
357.15103	1.0
358.15811	1.1
359.12384	34.6
359.16812	2.0
371.12411	15.8
373.15051	1.0
388.16592	3.0
404.16031	0.9
416.16187	1.2
418.17728	5.0
436.18845	1.5
446.17020	9.0
448.18777	3.6
450.24860	1.1
464.18234	31.2
465.18637	1.3
466.19986	6.7
474.16660	5.6
475.15109	1.3
478.19669	1.5
492.17694	62.7
493.17691	1.6
496.21387	0.9
506.19452	6.0
524.20306	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	542.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48882	1.5
51.96637	1.4
53.03933	2.2
55.05499	1.7
65.03944	1.4
67.05491	2.7
69.07068	2.0
70.06603	3.5
71.58961	2.3
79.05491	5.6
80.05011	3.0
81.05814	2.0
82.06583	7.2
83.56882	1.4
84.08153	3.9
91.05489	5.4
93.07036	12.0
94.06559	11.3
95.04991	1.9
95.07350	10.9
96.08131	26.9
97.06558	2.8
103.05451	1.7
108.08107	19.8
109.02869	1.5
109.08907	2.6
109.10136	2.2
110.09686	46.4
114.05531	4.1
120.08102	32.3
121.02916	2.2
124.07599	3.8
128.07083	7.9
136.07549	12.2
137.05991	4.0
138.09140	52.1
146.06020	4.4
148.07579	10.3
164.46281	1.7
166.08647	100.0
211.08611	4.0
212.09267	1.7
223.08620	3.2
224.09456	2.2
225.10226	5.8
227.08243	3.8
237.10228	15.0
239.08237	7.3
239.11836	4.1
241.09740	4.8
247.08821	1.9
249.10223	2.6
251.08205	5.8
253.09737	17.4
255.07903	1.6
255.11292	6.0
265.09720	32.7
266.10693	2.5
267.07813	2.5
267.11295	7.2
268.12152	2.0
269.09030	3.3
281.09213	21.0
283.10803	18.2
287.10339	4.3
293.09195	18.8
295.10727	20.5
299.10294	5.7
301.11853	5.6
309.08597	3.7
311.10257	18.9
313.11877	5.2
321.08658	10.8
327.09799	20.5
332.13351	2.4
333.14581	2.6
339.09717	33.3
341.11292	3.8
343.13138	2.2
344.14166	2.2
353.11292	4.3
353.94556	1.5
359.08005	3.2
359.12372	43.3
359.16794	2.7
371.12418	19.4
388.16315	4.1
400.17093	2.7
418.17700	3.9
428.16251	2.5
446.17157	10.4
448.18610	3.4
464.18167	38.1
466.19833	2.6
474.16528	7.2
478.20251	2.6
492.17709	68.8
493.17972	2.1
506.19293	8.4
523.77863	1.6
524.20477	17.1
542.22504	3.7
542.29541	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	541.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76505	1.1
53.03957	10.6
55.01863	3.5
55.05519	23.8
57.03437	3.0
57.07081	5.4
65.03943	5.1
67.05513	79.0
69.03436	2.8
69.07079	17.9
70.06593	2.5
71.05001	3.0
71.08631	3.4
73.06567	2.3
77.03931	1.8
79.05504	100.0
81.03430	8.5
81.07068	70.9
83.04998	11.2
83.08627	7.7
85.06547	1.7
88.07651	2.9
91.05492	72.3
93.07056	89.2
95.04987	24.2
95.08620	47.3
97.06561	5.9
97.10178	3.8
99.08108	1.2
102.09228	2.3
103.05510	1.7
105.04545	2.9
105.07044	51.3
107.04977	6.7
107.08607	34.7
109.06522	6.9
109.10180	13.5
111.08085	3.0
115.05474	1.6
117.07026	14.5
119.08595	29.1
121.06533	3.7
121.10161	20.3
123.08072	4.4
123.11729	2.4
125.09662	1.4
127.07573	1.8
128.06212	2.6
129.07016	14.9
130.07816	1.8
131.08582	14.3
133.10152	13.7
135.11725	11.1
141.07043	1.2
142.07806	1.4
143.08603	8.9
145.10141	14.1
147.08081	1.7
147.11708	31.2
149.13318	3.6
155.08659	1.4
157.10162	4.9
159.11716	6.2
161.09698	4.0
161.13271	12.9
169.10239	2.1
169.81706	1.0
171.11719	27.4
173.13304	4.0
175.14746	1.6
181.10120	1.4
183.11717	2.3
185.13284	1.5
187.14899	2.1
189.12769	10.2
197.13344	2.1
201.16371	1.4
207.13847	27.4
211.14966	1.3
225.14923	3.0
243.21173	1.9
256.26483	4.3
257.26785	2.2
261.19644	1.0
261.22168	5.5
277.59140	1.2
281.17651	1.6
285.25317	1.1
311.29654	3.2
312.29895	3.6
317.24924	1.7
359.94278	1.3
449.34445	2.0
467.35474	1.3
485.35922	1.2
540.53406	3.2
541.39001	81.3
541.53137	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	541.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.7
51.02380	1.3
53.03952	9.1
55.01886	3.8
55.05517	26.9
57.03432	2.7
57.07079	7.2
64.17101	0.7
65.03944	4.7
65.40321	0.6
67.05510	80.2
69.03432	2.1
69.06713	1.2
69.07075	19.4
70.06589	3.7
70.76133	0.8
70.76481	1.4
71.04998	2.5
71.08636	2.7
73.02927	1.2
73.06572	1.7
73.22618	0.7
77.03929	1.6
79.05499	100.0
81.03423	8.8
81.07064	67.5
81.07565	1.3
83.04993	12.2
83.08632	11.2
85.06561	3.1
85.10198	1.0
88.07642	6.0
89.07925	0.8
91.04896	1.5
91.05488	75.9
93.07052	91.9
95.04977	23.3
95.08614	49.8
97.02924	0.8
97.06541	5.3
97.10188	5.1
99.08092	1.1
102.09183	4.2
103.05466	2.3
105.04536	3.0
105.07039	51.8
107.04969	6.3
107.08604	32.4
109.02876	2.5
109.06521	5.7
109.10168	12.1
111.08083	2.9
113.09638	0.7
115.05485	2.1
117.07036	13.7
119.08594	32.0
121.06538	3.0
121.10151	23.0
123.08095	6.9
123.11741	3.6
125.09618	1.5
127.03944	1.6
127.07553	0.8
127.28486	0.6
128.06226	3.4
129.07014	15.0
129.07906	1.2
130.07816	1.0
131.08580	12.8
133.10143	16.2
135.08093	1.2
135.11720	12.7
137.09674	1.1
137.13324	0.6
141.07027	1.9
141.09143	0.9
142.07787	1.3
143.08578	11.5
145.10138	15.5
147.08078	2.5
147.11696	33.0
149.13257	3.8
155.08604	2.2
156.09387	1.3
157.10149	3.3
159.11713	4.6
161.09628	3.0
161.13277	13.4
163.11192	1.1
163.14894	1.3
167.08531	1.0
169.10194	2.9
171.11699	26.6
173.13261	4.5
175.14850	1.8
177.12750	0.9
179.14417	1.1
181.10103	1.1
183.11774	1.9
185.13313	2.0
187.14896	2.2
189.12788	9.2
195.11774	1.3
197.13240	1.4
199.14909	0.9
207.13821	27.8
209.13266	1.1
211.14865	1.6
225.14890	1.5
243.21062	1.1
256.26398	9.0
257.26764	5.0
261.22186	4.0
265.57288	0.7
275.27850	0.7
281.17581	2.3
283.26492	2.4
284.26730	2.4
284.29630	2.4
285.30072	1.2
311.29404	7.9
312.29761	5.6
317.24948	2.2
335.26172	0.9
431.33160	1.3
449.34442	2.5
467.35266	1.2
523.37781	1.8
540.53528	7.3
541.38983	82.3
541.53461	24.5
542.39392	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	541.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01864	2.8
55.05512	18.7
56.44536	1.2
57.03429	3.5
65.03929	2.0
67.05511	20.1
69.07078	8.3
69.93559	8.1
76.93016	1.4
79.05501	21.2
81.03423	4.1
81.07061	18.8
83.04977	4.1
83.08624	7.6
85.06564	1.3
86.36373	1.5
88.07922	1.3
91.05495	17.1
93.07063	12.8
95.04975	5.2
95.08613	12.3
97.06532	3.1
97.10181	10.7
98.21388	2.4
105.07056	15.0
107.04961	2.7
107.08615	10.3
109.06489	2.6
109.10164	7.5
115.05417	3.3
117.07046	10.0
119.08609	12.1
121.10148	4.9
125.08887	1.4
125.09642	9.2
128.06256	3.0
129.07007	11.9
131.08588	12.2
131.40363	1.4
133.10101	7.0
135.08034	1.9
135.11710	3.0
141.06998	4.7
142.07802	3.0
143.08575	9.6
145.06496	2.2
145.10112	11.0
147.11737	3.3
154.07736	2.2
155.08575	8.7
157.06480	2.3
157.10170	10.7
159.08084	2.3
159.11705	7.9
161.09653	1.9
161.13307	1.9
163.11304	1.5
167.08617	4.3
168.09326	1.7
169.10135	8.7
171.08112	1.8
171.11693	9.4
173.13309	3.6
175.11166	1.7
181.10175	3.5
183.11749	5.5
185.09619	2.6
185.13298	5.2
187.14827	2.0
189.11234	4.3
195.11716	5.5
197.13300	5.3
199.11296	3.2
199.14874	3.9
205.19556	1.8
207.11757	4.5
209.13254	4.7
211.14827	2.9
213.12756	1.6
213.16460	2.3
221.13374	2.0
223.14799	1.7
223.20715	2.1
227.12843	5.7
233.13301	1.8
249.16473	2.8
257.19077	2.1
261.16306	1.8
295.20602	1.7
297.22153	9.8
313.21359	1.8
421.31183	3.0
431.29474	8.2
449.25256	1.7
449.30371	9.7
467.31815	8.1
485.32581	3.0
523.34058	12.5
541.35217	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	541.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
55.01880	3.4
55.05517	26.0
57.03439	3.8
57.07055	1.7
63.24087	1.5
67.05511	28.9
69.03444	2.3
69.07059	9.2
71.05013	2.5
79.05502	21.9
81.03413	5.7
81.07056	26.4
83.04974	3.6
83.08618	9.6
85.06581	2.1
86.14584	1.4
91.05482	18.9
93.07061	17.7
95.04986	8.1
95.08607	10.6
97.06551	2.5
97.10168	14.8
98.20701	3.4
99.04464	1.4
105.07034	15.6
107.04979	3.6
107.08582	11.6
109.06577	2.6
109.10164	7.0
115.05510	2.6
117.07021	11.0
119.08588	12.6
121.06477	2.4
121.10187	6.0
125.09646	11.4
128.06256	5.7
128.46803	1.6
129.07028	14.6
130.07799	1.7
131.08592	12.2
133.06509	2.7
133.10143	6.5
135.08134	2.7
135.11729	2.6
141.07010	5.3
142.07777	4.4
143.08559	12.9
145.06500	3.7
145.10161	7.2
147.08101	2.5
147.11722	5.8
155.08543	10.0
156.09409	2.7
157.06615	2.5
157.10143	12.2
159.08102	4.4
159.11758	8.9
167.08604	4.4
169.10101	11.3
171.08051	2.5
171.11705	9.4
173.09698	2.4
173.13287	4.2
179.08675	2.0
181.10201	7.3
183.08200	2.0
183.11694	7.9
185.13304	5.8
188.22566	1.7
189.11237	6.4
193.10242	2.1
195.11732	5.9
197.09682	1.9
197.13284	6.2
199.11313	2.6
199.14871	2.4
205.60834	1.7
207.11713	3.7
209.13318	3.8
211.11281	1.8
211.14850	3.7
213.16512	2.2
221.13232	3.3
227.12755	4.7
267.21008	1.7
297.22046	10.1
305.12283	2.6
305.19006	1.9
325.21851	2.1
331.22888	1.8
332.82996	1.8
337.21408	1.9
387.52512	1.6
421.30908	2.2
431.29654	7.7
449.30655	10.8
467.31561	6.7
523.33948	13.7
541.35309	100.0
542.35895	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	541.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14664	2.7
53.03941	11.3
55.01867	9.3
55.05517	23.7
57.03430	7.1
57.07086	16.4
61.02930	6.3
67.05509	34.1
68.99782	6.0
69.03436	38.5
69.07070	50.1
69.38358	24.5
71.04996	7.2
71.08644	4.4
73.02911	5.1
79.05508	22.1
81.03429	27.8
81.07066	100.0
83.04991	7.2
83.08622	21.6
85.02916	62.7
85.03426	4.0
85.06550	14.5
85.10194	3.9
87.00842	21.1
88.61959	2.6
91.05488	18.1
93.07052	41.6
95.04975	11.1
95.08615	91.1
97.02903	20.2
97.06547	7.6
97.10172	10.2
98.21507	5.9
99.04464	13.0
99.08108	5.9
105.01883	13.7
105.07042	25.7
107.04994	3.5
107.08610	42.5
109.02894	26.0
109.06503	8.1
109.10165	44.2
109.10840	4.9
111.04417	5.1
111.08084	9.6
111.11734	8.3
115.03947	8.1
117.07033	4.1
119.08598	17.9
121.06473	4.8
121.10146	27.1
123.08016	4.5
123.11713	32.4
123.42292	2.7
125.06045	2.8
125.13271	2.9
127.03927	40.4
129.01843	5.3
131.08595	8.0
133.10144	13.5
135.08064	4.8
135.11731	15.7
137.13245	22.3
143.08565	7.0
145.05003	14.4
145.10143	9.1
147.08044	6.7
147.11682	10.8
149.09697	3.6
149.13280	23.4
151.14877	7.5
157.10112	5.4
159.02901	8.9
159.07986	3.9
159.11700	10.4
161.09560	3.6
161.13310	6.7
163.14833	11.6
165.09123	9.2
165.12726	3.9
167.14395	7.2
169.10072	3.2
171.11688	4.6
173.13280	6.7
175.14810	3.3
177.16393	6.7
183.11794	3.3
185.13312	4.2
189.03969	5.7
189.16472	3.5
197.13322	3.7
199.14818	3.3
203.17950	3.6
231.05029	10.3
273.25766	4.1
275.27432	4.5
293.28482	15.8
317.28384	3.5
335.29300	3.5
359.29297	3.9
383.29517	8.9
401.30533	9.8
487.30447	6.8
505.31592	6.4
523.32391	6.9
541.33569	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	541.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
54.40323	1.6
55.01864	2.4
55.05523	10.3
57.03445	1.9
57.07055	2.1
65.97552	1.6
67.05498	13.9
69.03424	6.3
69.07072	8.7
69.35748	11.9
69.36179	5.6
71.04995	2.4
71.35146	1.8
73.78813	1.6
79.05498	13.9
81.03419	2.7
81.07062	22.7
83.08642	3.7
85.02880	3.3
87.00814	2.2
88.56313	2.0
91.05484	23.6
93.07037	22.8
95.04982	5.3
95.08602	20.6
97.02882	3.1
97.06544	12.9
98.98436	4.0
103.05458	3.0
105.07036	27.2
107.04978	1.9
107.08602	24.6
109.06528	4.9
109.10162	12.8
111.04494	2.1
111.08091	4.3
115.05507	1.8
117.07003	7.6
119.04929	5.0
119.08585	29.6
121.06505	7.8
121.10141	11.5
123.08036	4.8
123.11697	3.7
125.09683	2.2
128.06233	2.6
129.07002	8.2
130.07791	2.4
131.04959	2.3
131.08566	25.4
133.06516	2.6
133.10127	28.1
135.08038	13.8
135.11737	3.6
137.05989	3.8
137.09622	4.0
140.09337	1.9
141.07007	4.3
141.16780	1.9
142.07808	5.1
143.08559	14.5
145.06519	4.5
145.10123	28.0
147.04405	21.8
147.08012	12.0
147.11726	14.4
149.09618	6.7
149.13286	2.5
151.11212	2.8
155.08577	8.2
156.09320	4.8
157.10127	15.3
158.07272	7.7
158.10918	3.1
159.08049	31.3
159.11711	18.7
160.08853	6.3
161.09644	23.6
161.13281	10.4
163.11205	4.3
163.14886	2.5
167.08595	2.8
168.09286	2.5
169.10110	7.6
171.08093	9.7
171.11671	10.2
172.08820	14.2
173.09631	39.8
173.11018	3.3
173.13243	21.0
175.11208	9.4
175.14815	7.1
177.12714	2.5
181.10152	3.8
183.11728	13.4
184.08865	2.8
184.12390	2.6
185.09676	9.8
185.13269	13.4
186.10406	23.3
187.11174	10.4
187.14804	10.0
189.12796	10.5
189.16446	3.6
191.07095	2.2
191.14357	9.3
195.11644	3.2
197.13306	6.0
199.11166	12.4
199.14896	5.9
200.12027	2.4
201.12755	91.5
201.16435	8.4
203.14343	44.9
203.17900	2.8
205.15941	3.8
209.13278	4.2
211.11189	5.7
211.14940	4.0
213.12782	5.8
213.16394	6.5
215.14326	30.3
217.15952	8.7
219.13849	5.6
219.17302	4.0
223.14778	3.4
225.12680	2.2
227.14351	6.7
229.15944	6.6
231.17384	7.5
239.14371	3.0
239.17868	4.0
241.15829	3.5
243.17390	2.3
247.17062	2.8
249.18564	3.5
251.18065	3.1
253.15866	3.9
255.17635	3.2
267.17401	3.0
271.16858	2.5
287.12561	3.2
305.13843	100.0
319.15445	15.7
331.15387	2.5
401.28558	4.3
407.29401	2.7
419.29498	7.4
437.30502	8.6
493.29581	3.0
505.29260	5.5
511.30487	4.1
523.30609	9.8
541.32135	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	540.9896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	6.1
69.48905	0.7
69.49311	1.9
71.95260	1.5
75.06051	0.3
98.97591	66.8
116.98633	44.7
131.00206	0.6
134.99673	17.8
140.00206	1.2
153.00685	2.0
154.93414	0.3
158.01291	0.7
172.94383	2.6
190.95435	3.0
197.95206	0.6
208.96454	1.1
214.95374	2.6
221.23309	0.3
227.22336	0.4
230.98518	0.4
232.96471	7.5
240.98811	0.9
241.94318	0.5
246.75711	0.3
250.97612	4.2
256.96426	15.5
258.99799	7.7
274.97534	100.0
275.97900	1.6
276.97827	0.6
277.00842	9.8
288.99115	1.1
290.95499	1.0
292.98584	62.0
293.98904	0.6
297.99127	2.5
298.97833	1.0
301.00974	0.7
310.99414	0.7
316.00232	1.6
316.04163	0.4
316.98920	1.4
332.96591	0.8
369.26025	0.4
374.97748	0.4
382.99951	0.7
398.97617	19.3
399.97574	0.4
401.01025	2.3
414.95432	0.8
416.98724	46.4
417.98950	1.1
431.00342	0.7
432.96533	0.5
434.99832	9.3
440.00482	2.9
440.99634	0.4
456.96982	0.8
464.31573	0.4
498.97546	0.4
540.98828	11.9
541.98901	0.7
558.96344	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	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22620	1.1
51.23175	1.1
53.03938	4.8
55.01880	2.7
57.03428	3.0
57.07078	1.4
58.79594	1.1
59.04983	1.6
61.02926	2.9
67.05509	6.3
68.68569	1.2
69.03429	12.0
69.07070	6.3
69.84049	4.7
71.04996	3.1
73.02917	2.8
75.83686	1.2
78.22795	1.1
79.05483	3.6
80.31014	1.2
81.03419	9.6
81.07063	6.7
83.08635	1.7
85.02431	2.1
85.02911	30.6
87.00829	15.1
91.05470	4.1
93.07050	37.3
95.04962	2.3
95.08608	20.4
97.02901	15.5
97.06506	2.9
99.04459	4.0
99.29485	1.2
99.98877	1.3
105.01892	14.9
105.03405	16.3
105.07035	2.1
107.07957	2.0
107.08602	20.8
109.02885	9.4
109.10163	100.0
119.08556	2.4
123.04424	2.0
125.13239	2.5
127.03071	1.9
127.03923	19.8
129.01849	1.9
135.11700	78.8
141.15602	1.1
145.04974	9.0
153.12749	88.5
159.02902	5.6
204.84531	1.1
231.05013	4.3
257.15396	16.3
260.61319	1.1
275.16516	9.2
432.31723	1.3
481.26862	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	538.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
56.78092	0.8
57.02881	0.9
65.03963	1.7
67.05521	2.3
69.03426	1.4
69.07070	1.5
70.06603	1.4
71.58447	1.0
71.58867	1.6
79.05495	3.6
80.05034	1.5
81.03425	1.6
81.05801	1.6
81.07065	2.1
82.06578	1.6
85.02936	1.6
86.88866	1.1
89.03918	1.9
91.05479	3.8
93.07046	9.9
94.06573	12.4
95.04997	1.8
95.07346	7.8
95.08616	2.4
96.08136	21.1
97.06538	1.8
103.05471	2.1
105.05780	1.2
107.04947	1.2
107.08596	2.4
108.08124	17.4
109.08889	1.3
110.09685	35.1
112.16038	0.8
116.04959	4.6
117.03384	1.5
120.04482	5.9
120.08112	27.9
121.06530	1.9
121.10132	0.9
122.06040	7.0
123.06805	1.1
124.07592	6.6
127.03916	1.9
134.06024	1.1
135.04453	1.7
135.07050	1.0
136.07588	11.8
138.05525	6.3
138.09145	50.4
144.04465	9.4
145.02864	0.9
146.06009	6.4
147.04510	1.9
148.03973	1.6
148.07602	10.1
149.05916	0.9
149.15411	0.9
150.05507	3.1
150.09192	1.2
152.07097	1.6
154.08691	1.2
159.11705	1.0
160.03958	2.7
162.05510	7.6
163.03926	8.6
164.07098	2.4
166.04980	7.1
166.08649	100.0
167.09093	1.3
172.03949	45.8
174.05519	2.7
178.05072	1.5
186.05531	1.1
190.05008	16.8
191.07080	1.0
192.06467	1.5
192.07999	1.4
194.08313	1.4
195.09116	1.2
196.10085	1.4
197.10808	2.6
198.11513	1.2
204.06567	24.5
208.10022	1.1
209.10779	3.3
209.45213	1.0
211.08751	1.4
211.12329	1.4
212.09427	4.7
213.10286	2.5
216.06563	1.4
218.04526	1.2
222.07930	1.7
222.11526	1.5
223.12280	2.0
224.09433	5.4
225.10239	8.1
226.10962	1.6
227.11798	2.6
232.06166	1.0
235.08719	2.8
236.09511	3.6
237.10240	18.9
237.18452	1.1
238.11034	3.6
239.08179	2.7
239.11804	4.4
241.09755	5.0
245.12932	1.0
249.10291	2.8
250.07170	1.2
250.11044	2.1
251.08101	2.4
251.11766	9.5
252.08911	2.1
252.12497	1.8
253.09819	6.2
253.13536	2.0
255.11311	1.9
263.11826	1.5
264.08893	2.2
265.09738	26.3
266.10419	3.7
267.11206	4.7
269.12964	1.3
271.10849	4.2
273.12323	6.4
278.06650	8.6
279.11295	11.1
280.08423	3.4
280.11868	1.8
281.09256	2.8
281.12848	3.9
283.10843	8.3
285.12424	3.8
289.09750	1.0
292.08240	1.9
293.09229	25.1
293.12369	2.0
294.09921	5.9
295.10718	2.5
296.11401	1.1
297.12292	8.5
299.10257	2.7
300.11060	1.6
302.13025	1.0
307.10864	4.7
309.12344	3.3
311.10257	3.5
312.11078	5.6
313.11792	8.3
323.10318	1.6
325.11826	21.1
335.10291	9.6
340.10541	4.4
341.11334	32.5
343.13022	3.4
353.11328	28.0
357.14569	5.2
372.17627	0.9
373.13974	3.6
385.13965	7.0
437.19528	1.8
447.17831	1.3
460.18774	8.2
462.19980	1.8
464.18192	2.4
465.19025	12.4
478.19791	10.1
488.18176	17.5
506.19254	63.8
507.19592	2.7
520.20935	4.7
538.21820	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	538.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
65.03945	1.8
66.70519	0.5
67.05490	1.1
69.38715	0.7
69.39118	3.7
71.45467	0.5
77.03933	0.5
79.05506	3.0
80.05026	1.7
81.03406	0.7
81.05814	0.8
81.07081	0.6
82.06581	2.1
89.03922	1.3
91.05483	3.3
92.05010	1.6
92.37449	0.4
93.05791	0.8
93.07057	7.9
94.06016	0.8
94.06582	13.0
95.04977	1.8
95.07363	10.0
95.08583	0.7
96.08139	21.6
97.06532	1.4
101.34568	0.4
103.05460	2.1
105.05779	0.7
106.06553	1.2
107.07330	0.9
108.04485	0.8
108.08125	15.9
109.08934	1.1
110.06036	0.5
110.09693	35.0
116.04991	5.3
118.06551	1.9
120.04469	7.1
120.08121	24.6
121.06516	1.0
122.06051	6.2
122.09682	0.7
123.06791	1.3
124.03956	0.9
124.07600	6.0
132.08105	0.7
133.76602	0.4
134.06018	2.6
136.07593	11.1
138.05539	7.7
138.09155	48.0
138.51257	0.4
139.09428	0.6
144.04456	12.7
146.06030	6.4
148.03928	1.6
148.07573	9.1
150.05502	1.9
150.09187	0.8
152.07077	1.6
154.08650	0.6
160.04002	1.8
160.07544	0.6
162.05504	5.8
162.71573	0.4
164.07056	1.5
166.05035	5.2
166.08656	100.0
167.08902	1.0
169.43118	0.4
172.03954	53.4
174.05515	1.4
176.06996	0.6
178.05005	1.5
180.06613	1.0
183.09114	0.5
184.07747	0.7
184.09962	1.4
185.10661	0.7
188.07115	0.7
190.05017	16.4
191.05472	0.5
192.06584	0.9
195.09341	0.7
196.09938	1.4
197.10782	2.6
198.11569	1.1
199.12312	0.6
204.06584	49.1
206.08211	0.6
207.09042	0.6
208.09845	0.7
209.10698	2.8
210.09338	0.7
210.11404	0.6
211.08743	1.1
211.12361	1.4
212.09438	4.3
213.10277	1.8
214.04819	0.5
216.06615	0.7
218.04477	0.7
221.10718	0.9
222.07877	1.7
222.11516	1.6
223.08594	2.6
223.12363	1.3
224.09425	5.1
225.10245	5.4
226.10948	0.6
227.11842	2.7
234.09209	0.8
234.11482	0.7
235.08707	2.3
235.12315	0.6
236.09296	3.7
237.10239	18.1
238.10968	2.8
239.08179	3.4
239.11794	4.6
241.09755	3.6
245.12947	1.3
247.14479	0.8
248.09499	0.8
249.10341	2.1
250.07391	1.8
250.10985	1.1
251.08092	2.6
251.11816	10.3
252.08971	1.7
252.12607	1.8
253.09766	8.4
253.13420	1.6
255.11269	3.0
257.12857	0.7
261.10309	0.7
263.08069	0.9
263.11865	1.3
264.09100	1.5
265.09741	23.4
266.10492	3.7
267.07852	0.6
267.11285	3.2
268.08411	1.4
268.12180	0.5
269.09262	0.8
269.12848	1.0
271.10788	3.4
273.12360	6.3
277.09860	0.7
278.06659	5.7
278.10110	0.8
279.08057	0.4
279.11295	11.2
280.08456	2.1
280.11935	1.2
281.09238	2.8
281.12564	3.2
282.10052	0.7
283.10803	7.6
284.11514	0.5
285.12341	1.8
289.09738	1.1
291.11264	1.0
292.08224	1.0
293.09238	22.6
294.09952	4.7
295.10699	1.2
295.49026	0.5
296.11429	0.6
297.12338	7.2
299.10300	2.9
299.13870	1.2
300.11081	2.0
307.10831	5.0
308.11505	0.5
309.12228	3.4
311.10318	3.8
311.13626	0.8
312.11023	5.2
313.11829	9.1
313.15417	0.7
323.10297	1.7
324.11270	0.5
325.11853	21.3
327.13403	0.8
329.14966	0.7
335.10284	9.1
339.09790	0.6
339.13480	1.1
340.10583	2.5
341.11359	32.2
342.11578	0.7
343.12897	1.1
353.11349	24.9
354.11755	0.6
357.14514	8.0
367.13013	0.6
373.13977	3.0
385.14005	6.9
390.18335	0.7
406.17957	0.6
416.20233	0.6
418.17709	1.2
432.19470	0.9
436.18573	0.9
437.19489	1.0
442.17908	0.7
444.19080	0.5
446.17126	0.9
460.18768	6.6
462.20111	0.5
464.17853	0.9
465.18845	6.4
470.17264	0.7
478.19778	7.7
488.18228	15.7
492.20700	0.6
502.19354	0.6
506.19272	51.1
507.19601	1.6
520.20923	3.9
538.21649	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	538.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.6
54.34329	0.5
55.05501	0.7
65.03935	2.1
67.05493	1.4
69.07061	1.1
69.36610	5.3
79.05504	3.3
80.05017	1.5
81.05790	1.9
81.07047	0.6
82.06575	2.5
84.04482	0.7
85.02909	0.9
89.03912	1.4
91.05458	3.4
92.05025	1.4
93.05789	1.0
93.07053	8.9
94.06566	10.0
95.04967	1.9
95.07359	7.8
95.08615	2.5
96.07545	1.1
96.08134	17.9
97.06539	2.3
98.20805	1.4
103.05473	1.7
105.07017	0.7
106.06573	1.4
108.04479	0.7
108.08120	16.4
109.08894	0.9
109.33453	0.6
110.09686	34.2
111.10059	0.7
112.82568	0.6
116.04982	4.9
118.06538	1.7
119.09357	0.7
120.04473	7.4
120.08111	24.1
121.06503	1.5
122.06051	4.7
122.09628	0.8
123.06816	1.6
124.07590	7.4
127.03881	0.9
134.06015	2.7
135.04555	0.8
136.07578	9.7
138.05525	6.9
138.09145	47.4
144.04477	9.0
145.02806	1.1
146.06039	5.0
147.04430	1.3
148.03946	1.0
148.07588	7.2
150.05505	2.3
152.07072	1.5
154.08710	0.7
158.05919	0.7
160.03972	2.1
162.05490	4.9
163.03905	5.7
164.07062	1.4
166.05005	5.6
166.08647	100.0
167.08948	1.4
172.03941	46.0
173.04347	0.6
174.05466	1.4
178.05070	1.1
180.10176	0.9
184.10023	0.8
188.07047	1.2
190.04993	17.6
192.06448	0.7
192.07961	0.8
195.09169	1.3
196.09927	0.9
197.10753	2.2
204.06577	26.3
207.09142	1.1
209.10742	2.5
211.08707	2.1
211.12262	1.6
212.09410	4.8
213.10205	2.7
216.06532	1.1
218.04672	0.9
221.10754	0.6
222.07811	1.1
222.11565	1.9
223.08684	2.4
223.12340	1.7
223.91249	0.6
224.09377	5.5
225.10240	6.0
226.11038	1.2
227.11789	2.4
235.08705	1.8
236.09416	3.6
237.10229	17.8
238.10954	3.6
239.08121	3.0
239.11771	5.1
241.09715	3.9
245.12874	1.4
247.14346	1.1
248.09430	1.0
249.10251	2.3
250.07306	2.3
250.11057	1.2
251.08073	3.1
251.11801	10.4
252.08922	2.1
252.12617	1.6
253.09767	7.7
253.13480	1.6
255.11316	2.7
257.12848	1.0
261.10333	0.8
263.11826	2.4
264.08887	2.2
265.09729	22.8
266.10468	3.9
267.11252	4.4
268.08441	2.0
269.12927	0.9
271.10754	3.8
273.12357	6.5
278.06595	8.1
279.11288	11.4
280.08478	2.9
280.11905	1.6
281.09216	2.7
281.12863	3.5
283.10760	7.9
285.12259	2.9
289.09753	1.3
291.11179	1.3
292.08295	1.3
293.05872	1.3
293.09195	26.3
294.09875	4.6
295.10797	2.2
297.12332	9.1
299.10336	3.0
299.13681	1.4
300.11075	1.9
302.12851	1.1
307.10822	5.2
309.12329	4.9
311.10278	2.7
312.10995	4.0
313.11819	7.1
315.13541	0.8
316.14499	1.8
323.10355	1.1
325.11829	21.4
327.13495	0.8
335.10294	7.4
337.11948	0.6
339.09753	1.3
339.13779	0.8
340.10471	3.1
341.11322	31.7
342.11646	0.7
343.13010	1.8
345.14694	0.8
353.11301	24.9
354.11627	0.7
357.14600	4.2
360.17264	0.6
367.12723	0.8
373.14005	3.1
376.16635	1.1
385.14035	6.1
386.14703	0.7
404.16034	1.0
416.19714	0.7
420.19220	1.2
432.15143	1.1
434.20694	0.9
436.18463	0.8
437.19449	1.3
438.20325	0.8
442.17969	0.9
447.17990	1.7
460.18640	8.1
462.20413	0.9
464.18005	1.3
465.19003	10.0
478.19751	9.7
488.18167	19.1
506.19244	51.5
507.19153	1.7
520.20892	7.5
538.21619	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	538.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
65.03932	2.4
67.05503	1.9
71.06306	3.1
79.05486	4.1
80.05026	1.6
80.25380	1.1
81.03401	1.8
81.05802	2.6
81.07066	3.0
82.06590	2.7
85.02903	1.5
91.05485	3.7
93.07053	9.2
94.06580	12.1
95.04967	1.9
95.07351	9.0
95.08603	2.0
96.08139	21.4
97.06544	1.7
103.05431	1.7
105.05760	1.4
108.08129	15.7
109.08943	1.5
110.09686	39.9
116.04948	5.7
120.04485	7.5
120.08114	23.9
121.06486	1.2
121.10110	1.3
122.06056	6.2
124.07610	7.3
127.03893	1.3
134.06023	1.5
136.07610	12.0
138.05531	6.2
138.09145	55.6
144.02148	1.5
144.04443	10.6
146.06004	5.8
147.04404	5.0
148.04002	1.4
148.07594	8.3
150.05536	2.8
152.07101	2.1
154.08647	5.9
160.03952	2.8
162.05515	5.2
163.03902	1.2
164.07085	1.3
166.04999	5.9
166.08646	100.0
167.09047	1.8
170.06041	1.1
172.03954	41.2
172.05432	2.4
174.05560	2.2
177.03146	1.1
178.04994	2.4
178.89381	1.2
184.09895	1.4
190.04997	18.8
192.06531	2.2
194.09651	1.4
196.10063	1.6
197.10742	2.7
197.34540	1.2
198.07773	1.1
204.06587	16.4
209.10739	4.1
211.08636	1.8
211.12332	1.7
212.09436	4.0
213.10188	2.3
216.06609	1.8
218.04456	1.1
222.07892	1.9
222.11453	2.2
223.08562	2.6
223.12256	1.7
223.28540	1.1
224.09485	4.9
225.10197	7.5
226.10863	1.5
227.11771	2.7
235.08600	1.9
236.09425	5.5
237.10228	17.2
237.18404	1.5
238.10965	3.0
239.08174	4.3
239.11801	6.3
240.09003	1.3
241.09865	3.7
245.12944	2.1
249.10329	3.2
250.07185	2.4
250.11040	1.3
251.08189	3.9
251.11800	9.8
252.09050	3.2
252.12326	1.6
253.09709	9.9
255.11331	4.2
255.19319	1.2
262.10895	1.3
263.11743	3.1
264.08755	1.7
265.09769	24.6
266.10590	5.3
267.11279	6.4
268.08362	2.6
271.10751	3.8
273.12387	6.8
277.09610	1.3
278.06668	11.1
279.11298	14.7
280.08441	2.4
280.11908	1.8
281.09198	3.3
281.12854	3.8
282.09845	1.4
283.10733	7.9
285.12424	2.4
289.09689	1.8
293.09213	27.7
294.09866	4.5
296.11752	1.3
297.12363	8.3
299.10260	3.2
300.11072	1.7
307.10794	4.6
309.12317	4.5
311.10172	5.1
312.11011	4.6
313.11813	9.3
317.08673	1.1
323.10416	1.4
325.11798	22.1
335.10254	9.5
339.09677	1.7
340.10422	3.6
341.11340	32.5
343.13104	1.5
353.11316	29.9
357.14374	1.7
373.13922	4.8
385.14014	7.4
418.17532	2.0
437.19296	1.3
438.20523	1.3
460.18820	6.6
464.18524	1.3
465.19019	9.8
478.19839	10.4
488.18231	17.8
506.19254	64.2
507.19501	1.9
520.20630	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	537.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.05513	17.5
56.67251	4.6
57.03439	13.5
57.07088	35.3
64.60498	4.5
67.05512	57.1
69.07059	14.6
71.08638	28.8
74.15373	4.4
79.05500	56.0
81.03416	12.2
81.07050	40.0
83.04976	13.1
83.08621	13.3
85.06556	5.9
85.10173	14.0
91.05477	47.4
93.07050	59.3
95.04958	16.3
95.08609	35.2
98.20713	11.1
98.21400	23.4
105.07046	26.5
107.04930	5.8
107.08591	17.6
109.06539	6.9
109.10169	18.2
111.01351	4.7
117.07027	5.7
119.08586	22.7
121.10109	9.6
129.07016	13.1
133.10112	8.8
134.49706	4.9
135.91737	4.6
143.08562	7.4
145.10123	7.8
147.11707	38.3
161.13292	9.3
171.11696	30.3
176.57031	5.1
189.12733	7.6
207.13799	31.2
209.73978	5.5
229.35947	6.2
281.17441	49.1
299.05902	9.1
300.06082	8.5
307.31232	4.9
313.27353	65.4
319.98010	5.4
519.40436	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	538.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.9
53.03942	6.1
54.51815	2.1
55.01869	4.1
56.05027	2.0
58.75284	1.7
60.04520	6.6
62.60931	2.0
65.03959	2.8
67.05507	4.5
69.03424	6.5
70.06577	11.1
71.54017	1.8
71.58353	2.8
72.75690	1.6
78.04688	2.2
79.05495	9.6
81.03426	63.1
81.07049	5.8
82.06610	2.9
84.04498	3.1
84.08166	2.6
85.02919	9.4
86.09732	2.6
88.29340	1.8
91.05499	16.8
95.04977	4.6
95.08596	3.2
97.02890	4.1
97.65305	2.0
99.04456	2.9
103.05460	7.5
105.07016	6.4
107.04963	83.9
107.08608	3.9
108.08110	2.5
109.02869	3.5
109.06522	4.9
110.06033	2.3
111.04417	3.6
115.05485	10.5
117.07021	9.6
119.04943	9.1
119.08549	4.0
119.65649	2.2
120.08092	1.9
121.02791	3.0
121.06535	4.1
121.10148	2.6
122.03686	3.9
123.04418	6.0
124.05225	2.0
124.07604	3.1
125.05981	2.6
126.05486	2.7
126.09136	3.5
127.03909	9.3
128.07056	8.1
129.07011	5.7
130.07335	2.4
130.56580	2.1
131.04956	13.3
133.06519	16.9
135.04436	4.2
136.04781	2.0
136.07614	12.2
137.05998	49.1
138.06339	9.4
143.04898	5.5
144.04434	2.4
144.05646	2.3
145.02852	2.9
145.06496	17.6
145.10089	2.8
146.03632	4.4
146.06038	2.8
147.04425	7.7
147.08047	3.7
151.03909	40.3
151.05083	3.2
152.04263	19.6
153.05534	2.7
153.06895	2.1
154.08629	3.3
155.06009	3.8
157.06441	4.2
158.06894	3.9
160.05162	6.5
161.05948	6.9
162.05490	3.4
162.09781	2.1
163.03860	8.9
163.07614	3.5
164.04247	3.0
167.07057	100.0
171.04335	3.0
172.05116	2.7
172.09677	3.5
173.06036	12.5
174.06606	2.4
175.07585	17.3
176.07948	3.0
177.05498	4.2
181.05013	3.8
181.06485	6.4
187.07523	13.2
188.07071	2.3
189.09126	5.0
190.06247	4.5
190.09412	2.8
191.06918	3.3
192.07376	3.4
201.05458	3.2
203.07106	10.7
204.07349	7.1
205.08553	11.1
206.08144	5.4
212.06927	2.3
213.09053	4.7
217.08643	5.0
220.09756	3.1
221.06064	2.4
222.07994	2.1
231.06615	2.5
233.08092	6.9
234.08572	2.7
235.07654	3.6
235.09647	12.7
241.08572	6.2
267.09912	2.1
273.11215	6.9
277.08508	3.2
289.10559	4.5
290.10297	18.3
291.09897	2.3
295.05896	3.5
300.12335	16.7
307.09534	3.1
308.09680	2.9
322.11484	2.5
328.12448	6.5
336.12302	7.0
339.12354	3.4
340.12540	5.0
350.14304	2.5
352.12045	3.9
357.13342	3.7
358.13718	11.5
364.11877	9.0
366.13412	5.9
368.14990	6.6
375.14273	2.0
376.14661	5.8
378.13168	7.8
396.14465	24.4
466.31400	3.9
484.32932	11.3
490.18509	3.8
494.27246	2.9
502.18573	9.2
502.33609	4.2
520.19727	15.7
538.26257	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	536.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	35.1
55.96078	7.1
57.07082	37.2
67.05511	39.1
69.07075	66.1
69.92981	34.9
71.08617	18.3
73.04753	7.8
79.05498	29.5
81.07063	61.4
82.97217	7.0
83.08636	49.4
85.32441	8.8
86.09724	17.9
91.05804	23.7
93.07053	33.7
95.08602	54.6
97.06546	9.7
97.10170	21.5
104.10748	28.4
107.08609	23.5
109.10148	30.5
111.11711	10.1
113.29426	7.3
119.08616	9.4
120.70472	7.3
121.10136	37.5
123.11720	18.4
125.00037	12.1
135.11674	27.6
149.13254	18.9
151.14870	6.3
167.05580	28.6
180.80391	7.8
184.07333	20.0
212.86617	6.7
224.55544	6.9
225.04166	7.1
247.24359	45.7
265.25305	100.0
283.26389	19.2
299.06293	38.0
339.28915	75.7
344.97546	12.5
357.30075	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	536.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
52.94886	0.3
53.03938	1.0
61.95649	0.3
67.05492	1.0
69.03414	1.1
71.04988	1.0
71.58879	0.3
77.03939	0.5
77.19947	0.3
79.05493	1.1
81.03408	1.6
81.07061	0.3
83.05007	0.4
85.02910	1.1
85.06065	0.5
85.06548	6.6
91.05462	0.4
93.07040	1.1
95.04967	1.1
95.08630	0.3
97.02901	1.0
99.08084	0.3
103.05472	31.4
104.05789	0.3
105.07042	1.3
105.15997	0.3
107.04956	0.6
107.08605	1.4
109.02897	0.6
109.06525	0.5
111.04440	0.8
119.08579	0.7
121.06489	0.6
121.10153	1.3
125.05981	0.6
127.03928	0.7
129.07011	0.5
131.04933	100.0
131.08580	3.7
132.05278	0.8
135.11687	0.5
138.09186	0.3
145.10136	2.0
147.04419	0.6
148.07527	0.2
149.05981	4.7
149.09637	3.5
151.07597	0.4
163.03957	0.4
163.07550	0.4
163.11186	1.1
165.09125	0.6
166.08664	0.4
167.05574	0.5
167.10661	1.7
173.09683	0.6
191.10686	4.5
209.11737	8.5
212.10815	0.5
227.10532	0.7
227.12793	14.6
244.09671	0.5
244.12021	0.3
275.09140	0.7
293.10211	5.7
293.13333	0.6
297.12344	0.4
299.06226	0.7
307.10715	0.3
320.72495	0.3
335.10709	0.3
351.09534	0.7
383.12402	0.3
518.19031	0.3
536.19928	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	535.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
57.21431	0.4
65.03960	0.5
69.03423	1.1
69.26839	2.4
69.27257	1.6
70.25733	0.3
79.05499	0.4
81.03417	2.2
81.07039	0.4
85.02895	1.4
85.06556	0.5
91.05488	6.6
91.27224	0.4
92.58299	0.4
93.07054	0.6
97.02876	0.8
99.04462	0.4
107.08588	0.5
109.02886	1.0
119.04951	19.9
119.08556	0.8
121.02882	0.6
131.08626	0.7
135.04398	0.6
143.36017	0.4
147.04422	100.0
148.04782	0.5
163.03925	1.6
165.05495	3.8
167.10709	0.6
177.12695	0.5
258.20490	0.4
271.06079	0.9
272.03915	0.4
279.88083	0.4
287.05536	0.6
291.08658	2.3
309.09717	4.9
341.44479	0.4
371.42081	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	534.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
54.03455	0.3
55.05260	0.4
55.05514	7.7
56.05045	5.2
56.99343	0.3
57.07080	3.3
58.02965	0.3
58.06586	0.9
60.04531	4.3
62.10110	0.3
65.03942	1.0
67.04240	0.5
67.05508	14.8
68.05032	1.6
68.92427	0.3
69.07072	8.9
70.06592	2.5
70.19347	1.0
71.08638	2.0
72.08140	0.3
72.67746	0.2
79.05497	11.6
80.05016	3.9
81.03384	0.3
81.05820	1.7
81.07064	12.6
82.06585	8.8
83.04946	0.3
83.08620	4.9
84.08150	0.4
85.10181	0.9
86.06068	0.6
86.97592	0.3
91.05486	9.7
93.05801	0.4
93.07050	10.7
93.62994	0.3
94.06571	20.0
95.04975	1.3
95.07354	9.9
95.08607	9.2
96.08141	5.2
97.06544	0.6
97.10172	2.6
98.06038	0.6
100.07643	0.7
103.05461	0.3
105.04523	0.5
105.07040	6.7
106.06564	0.5
107.07345	0.6
107.08598	5.8
108.08133	3.3
109.10159	4.0
110.09673	0.5
111.11722	0.6
114.09146	0.3
117.07008	0.5
119.07787	0.4
119.08588	6.5
120.08135	0.5
121.08893	0.6
121.10158	5.6
122.09679	2.8
123.08093	0.3
123.11720	1.6
124.11224	0.5
125.67890	0.3
133.10143	4.1
134.09608	0.4
135.10451	0.8
135.11691	3.7
136.11218	1.1
137.13229	0.6
146.07591	0.3
147.11685	1.9
149.12175	0.2
149.13239	1.2
151.14828	0.4
161.13274	0.9
163.14870	0.5
175.14760	0.3
191.17932	0.7
193.19542	0.4
217.19563	0.3
219.21060	0.8
233.22664	4.9
234.22206	0.6
237.22110	0.3
245.22676	4.7
248.23734	0.4
250.25331	9.6
254.24782	0.7
262.25314	100.0
263.23541	0.6
263.25897	0.6
264.83646	0.3
272.25879	5.4
280.23224	0.6
280.26361	11.7
288.23248	0.3
310.27588	0.3
488.48453	0.3
504.47940	1.9
516.47791	7.1
534.48895	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	534.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68712	2.2
53.03946	3.0
55.05513	17.9
57.03458	5.4
57.07085	13.1
61.02929	7.0
65.03930	4.3
67.05509	86.5
69.07069	25.1
71.08634	8.2
71.32586	3.2
79.05496	24.6
81.07066	100.0
83.04951	4.3
83.08627	23.4
85.02914	9.4
85.06535	3.0
89.06013	2.5
91.03957	2.8
91.05499	16.9
93.07053	28.6
95.04966	4.8
95.08618	84.5
97.06550	6.6
97.10170	12.9
99.04488	2.7
99.08125	2.6
105.07043	16.0
107.08598	18.0
109.10163	45.7
111.08080	7.2
111.11707	2.8
119.08597	16.1
121.10168	25.4
123.11723	14.7
126.24273	2.4
133.10126	18.0
135.11699	13.7
137.13260	6.3
139.11192	2.6
141.12747	2.9
147.11745	12.2
149.13246	13.6
151.14803	6.6
155.14371	4.2
161.13260	15.0
163.14827	14.5
165.16409	7.8
175.14833	11.3
177.16441	3.3
179.17966	9.1
189.16463	4.8
219.51363	2.5
227.20053	7.4
231.95502	2.7
245.22691	70.5
263.23730	87.9
337.27396	43.5
355.28384	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	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76791	5.5
55.05502	22.4
57.07067	10.7
57.80987	5.1
59.34878	5.5
61.02916	8.6
67.05508	95.0
69.07069	33.4
70.28731	19.1
71.08624	11.0
77.81493	6.1
79.05482	19.6
81.07063	100.0
83.08634	27.6
86.09709	6.1
91.05481	23.5
93.07042	21.0
95.08617	81.6
97.06516	9.3
97.10168	10.8
105.07045	16.8
107.08596	17.5
109.10161	39.0
119.08596	17.2
121.10149	23.1
123.11707	23.7
123.88085	5.7
124.99991	5.6
128.56282	6.4
133.10130	18.5
135.11702	17.7
137.13261	7.2
147.11693	12.6
149.13245	10.9
161.13242	19.9
165.16403	10.3
175.14845	8.0
179.17851	5.8
236.10011	5.5
245.22691	52.7
254.65454	6.4
263.23721	71.0
285.00201	5.5
337.27350	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	534.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	20.6
53.36995	5.1
54.22273	5.1
55.01854	9.2
55.05499	11.6
56.73443	4.7
57.03446	13.5
60.04514	4.7
60.51198	6.0
61.02938	6.2
62.06078	12.6
66.17977	5.1
67.05509	23.0
68.99793	5.5
69.03426	34.8
69.07063	12.5
70.06602	6.7
71.04982	17.0
71.59046	9.5
77.68215	5.2
79.05474	25.2
81.03426	42.1
81.07064	61.1
83.04977	14.5
84.20933	5.4
85.01319	5.6
85.02432	6.2
85.02911	82.6
85.06554	6.0
87.00820	37.4
91.05495	38.4
93.07048	94.0
95.04952	13.4
95.08617	37.3
97.02900	44.8
99.04465	16.6
105.01881	28.9
105.07039	63.7
107.08591	38.5
109.02890	44.0
109.06523	9.1
109.10168	29.7
117.07025	18.6
119.08589	51.6
121.02942	5.8
121.10164	26.3
123.04386	6.5
123.08064	13.4
123.11708	7.7
125.06002	7.6
127.03918	63.5
131.08560	19.1
133.10136	55.8
135.08046	9.6
135.11607	6.9
137.09566	8.2
143.08568	8.5
145.04985	24.1
145.10143	36.6
147.02811	6.0
147.04424	22.4
147.08072	8.1
147.11693	20.3
149.09468	7.4
151.03943	9.5
159.02917	19.8
159.11700	16.6
160.03299	6.2
161.13069	6.2
163.03908	12.7
165.09187	6.4
171.11755	9.1
173.13290	13.2
177.09106	10.6
187.14827	41.1
191.14381	5.7
196.75005	5.3
205.16122	6.2
215.14250	14.4
231.04979	9.3
233.15367	100.0
251.16391	33.1
257.50143	5.4
267.53931	5.4
271.05969	8.3
287.05624	40.8
389.66873	5.5
470.29691	8.0
481.20474	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	534.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99384	2.8
53.03949	10.5
55.01874	9.4
55.05503	6.9
56.94102	2.8
57.03439	6.6
61.02935	4.6
65.50045	2.4
67.05510	16.8
68.99786	3.9
69.03436	37.8
69.07065	7.6
71.04998	5.6
73.02925	7.7
75.62791	2.7
79.05491	15.8
81.03422	31.8
81.07062	44.7
83.01363	3.2
83.04983	13.4
85.02417	5.0
85.02908	63.1
85.06520	3.2
87.00829	31.3
87.04446	2.8
91.05474	28.1
93.07055	80.8
95.04967	11.6
95.08614	22.5
97.02905	43.9
97.06554	6.5
99.04456	18.0
105.01884	25.5
105.07042	51.3
107.04989	5.3
107.08597	34.2
109.02899	36.0
109.06541	6.0
109.10165	21.4
111.08099	3.2
115.05452	2.7
117.01827	4.8
117.07031	11.2
119.04923	7.5
119.08589	37.1
121.02880	2.7
121.06535	4.5
121.10153	24.7
123.08079	12.3
123.11707	8.2
125.06041	7.8
127.03923	54.6
129.01862	4.1
129.07053	4.9
131.08595	18.9
133.06540	4.5
133.10132	43.0
134.10875	3.2
135.04407	3.2
135.08064	5.1
135.11716	4.3
137.05977	5.0
137.09636	8.6
143.08575	4.0
145.02870	3.6
145.04988	23.9
145.10141	31.7
147.02869	2.4
147.03279	2.8
147.04419	23.2
147.08075	5.5
147.11697	16.7
148.04738	7.6
149.06020	4.5
149.09595	4.4
150.27161	2.9
151.07556	4.1
157.10101	7.1
159.02873	14.0
159.08070	8.0
159.11711	15.2
161.09581	3.4
161.13251	4.2
163.03911	7.7
163.07562	6.1
163.11169	5.9
165.09113	4.3
169.10318	3.6
171.11746	5.7
173.09633	8.8
173.13293	10.2
175.11255	2.5
177.04015	2.6
177.05437	3.5
177.09131	9.6
177.12625	3.0
177.16371	2.7
185.09615	2.8
185.13411	3.3
187.14833	32.0
189.16367	7.2
191.10669	3.6
197.13280	7.1
205.15994	3.3
208.59793	2.7
213.03891	2.9
215.14304	16.8
229.15918	3.2
231.05078	7.0
233.15379	100.0
245.15417	3.0
251.16476	34.2
271.06110	9.7
287.05505	34.2
299.16592	2.7
323.16251	4.1
411.38077	2.7
445.18060	3.0
449.10803	5.1
463.19516	4.5
481.20825	3.2
534.18365	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	533.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.0
55.01874	12.6
55.05514	31.4
56.20188	2.1
57.03434	3.5
57.07070	2.5
59.05008	3.1
65.03941	5.3
67.05506	74.7
67.36507	1.7
69.07070	14.5
70.65322	3.9
71.04992	6.0
77.03931	2.4
79.05495	100.0
81.03421	6.3
81.07065	67.1
83.04978	21.1
83.08614	11.2
85.02894	3.1
85.06536	5.2
91.04960	3.8
91.05486	47.9
93.07049	90.5
95.04974	15.7
95.08041	3.5
95.08609	40.2
97.06526	10.4
97.10178	4.3
99.04433	3.2
99.08097	3.6
102.14576	2.1
103.05463	1.8
105.07040	30.1
107.04955	14.6
107.08603	36.7
109.06519	4.9
109.10154	18.6
111.04441	27.1
111.08110	11.6
115.05434	2.8
117.07021	15.0
119.08578	22.5
121.06522	5.8
121.10149	54.9
123.04417	3.0
123.08115	3.6
123.11694	5.8
125.06047	3.5
125.09609	3.4
129.07013	6.4
131.04936	2.4
131.08592	19.4
133.06538	2.6
133.10159	17.2
135.08064	4.4
135.11699	37.2
139.11273	2.5
143.08556	2.4
145.06502	3.3
145.10132	36.2
147.08052	3.8
147.11639	10.7
149.09647	7.9
149.13275	5.7
151.11200	2.3
153.12737	13.7
155.08554	5.6
155.82198	2.1
157.10138	4.5
159.11757	10.9
161.13332	2.9
163.11197	34.7
171.11674	4.0
173.09653	11.8
173.13275	8.4
181.12236	27.2
185.13264	4.2
189.11296	2.5
189.12846	2.2
191.10663	16.3
209.11679	11.4
215.17935	12.2
227.12807	22.9
233.19066	9.4
245.13927	2.5
265.14362	4.2
267.15747	2.6
283.15369	27.1
289.21539	2.3
294.59103	1.8
301.16492	5.5
307.22687	4.3
311.83984	1.9
329.64969	2.0
423.28729	2.3
441.30133	3.8
487.34064	5.0
497.32831	3.3
505.27872	2.3
515.33545	15.2
533.34784	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	533.348
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
53.03946	8.4
55.01862	13.8
55.05270	3.4
55.05517	57.6
57.03428	6.2
57.07070	4.2
57.40976	2.7
63.54657	2.7
65.03944	4.7
67.05515	77.1
69.03420	6.7
69.07068	22.5
69.93803	7.7
69.94194	6.7
71.04999	8.9
73.57537	3.0
79.05053	4.7
79.05504	70.6
81.03398	12.1
81.07065	75.9
83.04984	19.1
83.08629	28.6
85.06511	7.0
91.05495	50.5
93.07052	59.1
95.04984	15.4
95.08616	43.8
97.06533	9.7
97.10181	35.5
98.21469	3.4
99.08080	4.9
105.07045	51.7
106.61868	3.7
107.04937	6.4
107.08601	34.7
109.06526	7.1
109.10165	31.1
111.04450	7.4
111.08096	7.6
115.05429	5.2
117.07034	28.4
119.08591	39.3
121.06538	4.6
121.10162	26.2
123.08086	5.5
123.11736	9.0
125.09669	26.1
129.07027	17.8
130.07756	5.2
131.08588	34.1
133.10124	35.3
135.08026	6.8
135.11716	27.6
137.09641	4.3
137.13269	4.5
141.06961	6.7
143.08627	17.1
145.10162	29.5
147.07956	3.7
147.11726	21.5
149.09630	7.0
149.13295	11.5
151.52995	3.4
153.09160	4.0
153.12753	8.3
155.08569	9.9
157.10187	14.3
159.11711	25.3
161.13278	6.5
163.11256	14.8
169.10130	10.7
171.11673	14.9
173.09615	5.8
173.13286	17.2
175.11169	8.6
175.14857	5.5
179.14503	3.2
181.12250	6.0
183.11713	4.8
185.09563	3.7
185.13228	5.3
187.14828	9.3
189.11241	19.4
191.10579	4.8
193.12242	4.7
195.11757	5.4
197.13339	5.0
209.11629	4.7
211.13332	3.8
213.12877	4.2
215.17952	11.5
225.16315	3.2
227.10715	5.3
227.12811	41.0
227.17845	3.2
231.17403	8.6
233.19092	16.8
237.16568	3.8
243.21222	2.9
249.18373	3.5
253.19450	6.7
267.15970	5.0
269.18835	3.7
271.20569	23.4
273.18481	4.3
283.15399	14.2
289.21591	13.7
305.21188	4.0
307.22699	8.5
347.22385	3.2
387.26627	5.1
395.29141	3.5
405.27701	8.0
423.29150	18.5
441.29849	14.7
459.30884	11.4
487.33923	7.9
497.32861	23.4
515.33698	100.0
533.27094	2.5
533.34546	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01867	15.5
55.05513	32.6
57.03427	15.5
57.07067	4.3
67.05167	6.8
67.05507	86.5
69.03440	4.8
69.06724	5.9
69.07077	80.3
71.04987	4.1
73.06557	6.8
79.05495	100.0
81.03418	25.6
81.06581	4.6
81.07060	90.7
83.04980	7.8
83.08621	15.8
85.02911	6.4
87.04457	5.6
91.05492	86.5
93.07052	81.6
95.04965	18.9
95.08620	70.1
97.06548	29.6
97.10172	11.0
99.04491	3.5
105.07038	53.5
107.04912	5.2
107.07987	2.5
107.08607	67.9
109.06557	4.2
109.10161	35.6
111.08042	5.1
115.05433	5.4
117.07031	46.3
119.08589	60.0
121.06525	10.7
121.10138	34.9
121.27606	4.1
123.08073	7.7
123.11691	10.3
125.06035	8.5
125.09641	28.4
127.29807	3.7
127.93928	3.9
129.07001	18.4
131.08595	36.6
133.10152	29.3
135.08064	49.0
135.11716	23.0
137.09612	9.1
141.07030	8.2
143.07040	31.7
143.08597	14.3
145.10153	36.2
147.08047	7.7
147.11703	25.2
149.09653	5.5
149.13268	13.2
153.09145	25.1
155.08614	5.5
157.10130	14.6
159.11699	28.3
161.08086	5.6
161.13197	17.0
163.07523	8.8
163.11230	5.2
163.14915	5.5
165.09137	3.9
169.10146	7.6
171.11697	15.8
173.09712	4.0
173.13313	17.3
175.14879	5.9
181.08611	10.0
181.10091	6.7
183.10222	3.9
183.11687	11.1
185.13272	11.0
187.14870	7.4
195.11780	4.9
197.13293	7.2
199.09641	29.2
199.11203	4.4
199.14813	6.1
201.12827	4.9
201.16464	5.9
213.16396	6.5
217.10667	5.5
227.12619	6.1
243.21097	4.6
255.12221	26.6
259.20615	5.5
261.22223	30.7
275.20145	3.9
279.23215	4.3
297.22333	4.3
299.23810	16.7
301.21573	7.7
315.23279	5.9
317.24811	15.5
325.21378	4.7
333.24078	8.7
335.25842	10.6
343.22693	7.3
379.30280	4.0
395.29504	18.4
405.27594	7.2
413.30579	4.9
417.26080	4.6
423.28922	15.6
441.29956	10.5
459.31052	8.0
487.34003	7.4
497.32608	32.0
515.33478	99.4
526.63336	4.4
527.92188	4.1
533.34473	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3112
Annotation	Wikstroelide E
Peak:m/z	Relative Intensity
62.05623	5.2
67.05508	14.7
69.03425	7.3
69.07063	7.6
71.04994	6.0
78.17419	6.0
79.05495	16.5
81.07050	30.3
84.46650	5.7
91.05493	22.2
93.07043	31.7
95.04942	7.6
95.08614	21.4
97.06556	10.9
105.07028	100.0
107.08598	38.3
109.06502	6.3
109.10139	16.3
115.07614	7.1
117.07037	18.5
119.08599	66.2
121.06523	46.8
121.10153	25.8
123.08107	15.9
123.11697	5.9
128.06219	7.5
129.07018	10.9
131.08575	68.2
133.06506	8.2
133.10149	35.0
135.08066	17.5
135.11673	9.6
142.07809	8.8
143.08565	26.5
144.09389	7.2
145.10143	75.6
147.08078	14.8
147.11700	40.1
149.09712	6.4
155.08514	7.5
156.09393	12.6
157.10132	35.3
158.10875	7.7
159.11656	47.0
161.09654	15.0
161.13293	22.2
163.03902	8.8
163.11215	9.2
163.14832	19.8
169.10115	7.0
171.11687	41.8
173.13258	82.5
175.14795	18.7
177.12724	6.1
183.11699	35.9
185.13260	38.3
187.11195	8.0
187.14900	25.9
189.12753	35.5
191.14316	78.3
197.13251	24.3
199.11172	10.4
199.14836	21.4
201.12778	19.6
201.16457	6.2
203.14365	16.6
209.40363	6.0
213.16446	8.4
215.14418	15.8
217.12314	19.8
217.15918	11.7
231.13933	5.7
233.15352	14.0
235.13335	16.8
253.14417	9.0
261.14844	8.8
263.12793	19.1
285.07474	10.4
287.05539	36.5
305.17584	10.2
306.17200	6.6
310.92429	6.6
312.89163	7.7
405.27722	12.1
433.27243	23.3
439.28711	13.7
451.28418	77.4
469.29605	56.4
487.30032	8.1
497.28802	20.8
515.29742	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	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01870	3.6
55.05507	2.9
57.03444	7.5
59.04988	1.4
61.02931	8.7
67.05495	2.5
69.03440	26.9
69.07076	8.4
70.63647	2.7
71.01340	0.8
71.04988	4.1
73.02911	4.8
79.05492	3.2
81.03432	12.4
81.07085	4.7
83.08638	1.5
85.02917	90.4
87.04470	4.1
91.03979	4.5
91.05472	3.7
93.07035	3.5
95.04993	6.1
95.08633	4.9
97.02905	33.0
97.06544	2.4
99.04464	4.9
101.02348	1.1
105.07024	4.2
107.08602	5.4
109.02229	0.8
109.02896	9.8
109.06530	4.6
109.10150	1.6
115.03944	1.2
119.05041	1.1
119.08606	3.2
121.06487	3.4
121.10146	3.2
122.07290	3.2
123.08083	14.8
127.03936	24.5
127.07545	1.2
131.08589	1.5
133.02858	1.6
133.10155	6.9
135.08069	24.9
135.11737	4.4
137.09616	1.3
142.37349	1.0
145.04968	35.3
145.10150	2.0
147.04431	1.6
147.11691	3.9
149.13377	1.4
161.09659	1.6
163.03894	2.5
163.06065	5.0
163.14856	2.1
165.12787	18.1
171.06581	1.9
173.13274	1.5
175.14828	3.5
176.11996	5.5
189.07590	2.8
191.14328	100.0
192.14584	1.6
193.15906	11.2
207.13826	2.9
209.15402	13.6
271.06039	15.1
285.07684	1.3
353.19553	2.6
371.20697	9.0
533.26013	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	533.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
57.03412	0.2
61.02921	0.2
67.01862	0.5
67.05488	0.2
68.99819	0.3
69.03422	0.7
69.07047	0.3
70.06580	0.2
71.21926	0.1
71.58498	0.3
72.08151	0.2
75.05997	0.1
79.05507	0.2
80.01613	0.2
81.03403	0.5
81.07056	0.4
83.04980	1.2
85.02908	1.2
86.06027	0.2
91.05473	0.6
93.07024	0.3
95.04987	0.2
95.08601	0.2
97.02922	0.8
105.07032	0.3
107.04978	0.2
107.08595	0.4
109.02872	0.5
109.06516	0.2
111.00776	0.2
119.04946	1.5
119.08588	0.3
120.69432	0.2
121.02866	1.0
121.10099	0.2
123.08076	0.3
127.03905	0.6
131.08603	0.2
133.10121	0.2
135.04355	0.2
135.08069	0.3
137.05980	0.3
145.02873	1.0
145.04929	0.7
147.04451	1.3
147.11737	0.2
149.09691	0.2
150.20621	0.2
153.01831	4.5
161.06015	0.2
163.03905	0.7
165.12781	0.2
171.02867	0.6
176.12082	0.2
191.14336	1.5
203.06979	0.2
225.05373	0.3
227.09198	0.2
229.05011	0.4
241.17499	0.2
243.06442	0.3
258.02182	0.3
271.06024	100.0
272.06442	1.2
285.07632	0.4
313.07193	0.2
371.10510	0.2
515.15656	2.4
533.16296	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	533.1294
Annotation	Bichanin A 7-O-glucoside-6''-malonate
Peak:m/z	Relative Intensity
57.06650	0.1
67.05482	0.2
71.10725	0.3
79.05507	0.2
81.03415	0.2
85.02928	0.1
91.05486	0.2
97.02911	0.1
105.07030	0.2
119.08620	0.1
127.03934	0.3
131.08533	0.1
133.06520	1.0
133.10165	0.2
135.04422	0.3
143.08574	0.1
145.10091	0.4
147.04414	0.2
147.11754	0.2
153.01823	1.2
159.04410	0.2
159.11559	0.2
163.03920	0.1
171.02896	0.2
173.13393	0.1
177.05420	0.2
204.83180	0.1
211.14787	0.2
242.05756	12.2
270.05258	10.8
271.05783	0.2
271.19803	0.1
285.07593	100.0
286.07971	1.2
314.91928	0.1
341.11398	0.1
447.12946	1.4
515.12024	0.3
533.12921	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	532.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.05505	16.6
57.03429	6.4
61.02901	5.7
67.05506	69.1
69.07066	17.2
70.76942	5.0
71.38663	8.6
71.38998	7.7
74.09724	5.9
79.05494	54.4
81.07061	86.5
83.08601	9.6
85.02872	5.1
85.48902	4.6
86.06094	4.8
90.63835	5.3
91.05486	24.6
93.07052	60.8
95.04956	6.2
95.08611	64.6
99.08099	6.8
105.07022	25.3
107.08624	35.8
109.06493	6.7
109.10137	26.1
117.07023	9.8
119.08593	22.6
121.10143	31.0
123.11707	23.6
131.08572	24.3
131.68654	5.3
133.10147	15.8
135.11676	24.7
145.10129	13.5
147.11688	15.3
149.13251	21.2
151.11163	5.1
159.11688	19.9
161.13306	16.8
163.14816	16.1
166.04305	5.9
173.13264	18.1
187.13121	4.9
187.14818	7.8
201.16364	7.2
243.21172	34.6
261.22110	100.0
270.45532	5.5
279.23251	5.9
335.25674	28.2
345.17929	7.1
353.26810	27.2
514.32294	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	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.4
55.01896	3.8
55.05508	26.4
57.03437	8.7
57.07068	4.4
65.03947	5.8
67.05507	85.3
69.07075	21.2
70.29993	11.4
73.43227	3.4
79.05497	89.1
81.03400	7.0
81.06579	4.8
81.07059	78.3
83.04967	10.6
83.08632	14.9
85.06549	6.8
87.04480	17.4
87.04905	3.0
87.55334	3.2
91.05485	64.1
93.07046	100.0
95.04966	20.3
95.08603	44.8
97.06525	6.4
97.10169	4.9
98.21423	4.1
99.08114	4.5
100.12634	3.1
102.74902	3.7
105.04509	5.3
105.07033	45.8
107.04985	4.5
107.08593	33.1
109.06525	6.6
109.10165	25.3
115.05418	4.4
117.07011	18.1
119.08596	26.8
121.10138	31.4
123.08078	5.2
123.11712	6.1
129.07028	14.4
131.08585	14.4
133.10126	26.9
135.11691	17.3
137.09625	3.9
143.08553	8.8
145.10133	21.4
147.11691	32.3
149.13269	8.0
157.10126	5.0
159.11723	6.9
161.09569	3.4
161.13272	11.4
167.46524	4.1
171.11665	17.6
173.13332	7.6
189.12724	9.7
207.13855	18.3
215.17963	12.2
233.18999	7.8
253.14339	6.5
281.17514	30.2
307.22672	43.1
341.71927	3.2
513.35754	63.4
514.35864	3.8
531.37299	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	530.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
53.60892	2.3
55.01867	5.7
55.05519	18.3
57.03446	16.4
57.07083	3.3
64.38087	2.7
64.76028	2.3
65.03924	3.3
66.96570	3.5
67.05510	29.4
69.03420	9.6
69.07072	10.8
69.33575	2.5
69.47307	21.5
71.04983	5.9
71.94072	3.3
77.38572	2.4
79.05496	32.0
81.03426	65.7
81.07063	34.8
83.04993	22.4
83.08622	25.0
85.02921	34.9
87.00809	3.7
91.05489	42.6
93.07052	22.8
95.04984	35.9
95.08610	16.8
97.02879	4.1
97.06511	6.2
97.10177	5.6
105.04542	2.4
105.07047	31.8
107.04975	8.3
107.08580	10.6
107.54842	2.5
108.08127	3.7
109.02762	3.0
109.06496	7.4
109.10171	4.9
111.04443	3.3
111.08067	13.3
113.06003	2.5
119.08603	18.3
121.10148	11.2
123.08079	4.7
124.52486	3.3
127.03866	3.2
128.06207	2.6
129.07008	14.9
131.03426	2.4
131.08575	19.1
133.06488	3.3
133.10201	13.4
136.07597	5.0
142.07779	3.8
145.04993	2.7
145.10133	3.7
147.08058	4.1
147.11734	14.8
149.09625	9.0
157.10147	15.4
165.12708	3.0
168.08713	2.8
175.11203	15.9
193.12276	64.8
211.13322	100.0
267.15967	26.0
285.16989	92.4
310.13608	3.3
327.99179	3.1
354.16013	4.2
368.13773	4.8
382.15567	6.3
459.27161	8.3
477.28278	11.7
488.18338	4.1
495.29712	31.4
512.18024	7.4
530.19391	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	530.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
55.13887	0.5
64.05606	0.5
65.03951	0.6
67.05506	7.4
68.05032	0.5
69.03430	1.0
69.07072	3.3
70.06595	100.0
72.08165	1.1
75.51955	0.5
79.05515	1.5
81.03418	1.0
81.07057	1.4
82.06615	0.6
83.05006	0.5
83.08630	0.6
84.08160	1.7
85.02911	1.3
86.09696	2.2
91.05486	1.3
93.07056	3.5
94.06576	2.6
95.04972	9.7
95.08606	2.4
97.02920	0.8
105.07051	0.7
107.08588	3.7
109.02868	1.0
109.10167	1.1
110.06004	0.6
112.07613	18.0
113.06036	0.5
114.05545	0.8
119.08601	0.6
121.10159	5.4
123.11705	0.5
127.03949	0.9
130.08710	1.7
135.04483	0.6
135.11679	2.4
135.51575	0.5
136.07600	0.7
141.03784	0.6
149.13377	0.5
154.08658	1.1
158.98645	0.5
163.03983	0.8
170.25642	0.5
172.09743	1.2
177.16388	2.2
178.08655	0.8
195.14113	0.6
220.09656	0.8
238.10789	3.2
256.11850	3.2
274.12872	14.2
292.13995	1.5
300.10913	1.4
318.11795	4.5
336.12921	0.6
359.46512	0.5
389.13892	0.7
468.29868	0.9
486.30676	6.4
512.28961	1.3
530.29724	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	530.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05499	1.3
63.84597	0.3
65.03943	0.6
67.05510	4.8
68.05036	1.8
69.03433	1.1
69.07072	2.4
69.27046	2.8
70.06595	100.0
71.04994	0.4
71.06918	0.6
74.78160	0.3
79.05505	1.4
81.03402	0.7
81.07051	1.1
82.06577	0.5
83.08609	0.6
84.08150	1.2
85.02915	1.1
86.09707	0.5
87.38281	0.3
88.24164	0.3
91.05473	1.3
93.07052	3.5
94.06564	1.7
95.04973	7.2
95.05550	0.5
95.08620	2.2
97.02918	0.6
97.06513	0.3
100.07614	0.6
105.07057	0.9
106.06600	0.3
107.08601	4.4
109.02902	0.8
109.10169	0.8
110.06046	0.4
112.07609	12.8
113.06044	0.4
114.05540	3.4
116.12273	0.3
119.08602	0.5
121.02895	0.5
121.10154	4.6
124.07603	0.4
127.03970	1.0
128.07115	0.6
130.08623	1.8
133.10158	0.4
135.11703	2.4
136.07628	0.8
137.13287	0.5
145.04967	0.4
147.04443	0.5
149.13293	0.6
151.07585	0.2
154.08649	1.5
162.93088	0.3
172.09750	0.8
174.07643	1.6
175.14851	0.3
177.16415	2.6
178.08630	0.5
191.08247	0.9
192.08531	0.5
192.10255	0.4
214.10722	0.4
220.09686	0.5
221.92116	0.2
238.10741	1.8
256.11874	2.4
274.12863	7.7
274.15582	0.6
292.14020	0.8
300.10828	1.9
307.13074	0.5
308.13205	0.8
318.11804	4.6
336.13043	1.1
350.13519	0.5
351.13727	1.6
353.94220	0.3
468.29919	0.8
486.30688	5.0
512.28656	0.8
513.19202	1.5
530.29578	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	530.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79810	0.3
53.03954	0.3
55.05515	0.7
57.07079	0.3
65.03960	0.4
67.05508	5.4
68.05035	1.0
68.56840	0.2
69.03437	0.8
69.07074	2.5
70.06599	100.0
71.04988	0.4
71.06942	0.6
73.02914	0.3
79.05503	1.3
81.03432	0.3
81.07076	1.1
83.08632	0.6
84.08161	1.0
85.02914	0.9
86.09710	0.6
87.08122	0.4
91.05495	1.2
93.07050	3.4
94.04626	0.2
94.06586	1.5
95.04976	6.6
95.05547	0.5
95.08620	2.2
97.02914	1.0
97.10198	0.3
97.31210	0.3
99.04457	0.3
100.07647	0.3
105.07069	0.7
107.08604	4.9
109.02891	0.6
109.06513	0.3
109.10188	0.9
110.06047	0.5
112.07615	12.0
113.06009	0.5
114.05543	1.9
119.08609	0.6
121.10155	4.7
124.07615	0.5
127.03963	1.0
128.07106	0.4
129.92761	0.3
130.08652	1.6
133.10164	0.4
135.11722	2.6
135.87961	0.2
136.07611	0.6
137.13301	0.5
142.08635	0.2
147.04500	0.4
149.13312	0.6
154.08650	1.3
159.11388	0.3
163.03986	0.9
172.09763	0.8
174.07610	1.4
177.16397	3.0
178.08662	0.9
191.08165	0.6
192.08571	0.7
216.08685	0.3
220.09770	0.6
238.10789	1.4
256.11783	2.3
274.12869	9.0
292.14038	1.0
300.10925	1.1
308.13391	0.8
318.11844	4.0
318.15314	0.4
331.78931	0.3
336.13043	0.9
351.13922	1.2
468.29712	0.7
486.30682	4.1
512.28876	0.8
513.19061	1.2
530.29651	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	529.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88121	1.2
54.66612	1.1
61.35361	1.1
62.08880	1.1
65.00048	1.1
69.47443	3.0
69.47852	5.6
91.05469	1.3
104.02375	1.0
115.05472	1.7
117.07017	2.0
118.06548	18.9
127.11212	1.3
130.06497	1.7
132.08093	5.2
136.88802	1.2
142.06540	1.8
143.07338	2.4
144.08095	12.3
146.06015	63.3
150.22778	1.2
159.09224	5.9
160.07576	1.6
170.05991	3.4
188.07077	100.0
205.09724	38.4
234.44659	1.1
349.87125	1.3
392.74304	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	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
54.54627	1.6
55.05515	21.5
57.03449	4.3
57.07074	7.4
65.03934	3.0
65.31383	1.6
65.35736	1.6
67.05512	63.2
69.07077	21.5
69.84531	9.4
70.06587	5.2
71.04980	2.1
71.08630	3.0
79.05505	46.7
81.03440	4.2
81.07068	71.3
83.04982	3.2
83.08623	9.4
85.06541	4.8
86.09722	1.6
87.04481	3.6
88.07637	2.6
91.05484	36.2
93.07055	55.6
95.04990	7.0
95.08617	35.3
97.06554	4.2
97.10165	4.1
105.07037	26.8
107.08607	26.0
109.06515	2.0
109.10139	12.2
111.08092	3.5
114.84453	1.8
117.07018	12.9
119.08611	14.6
121.10169	20.2
123.11742	5.2
129.07028	5.7
131.08578	22.6
133.10150	15.3
135.11699	13.4
141.07043	3.0
143.08566	6.1
145.10147	16.1
147.11734	7.1
149.13263	15.4
155.08580	2.2
157.10187	6.4
159.11670	13.4
161.13252	4.8
169.10158	2.4
171.11710	4.3
173.13261	5.1
177.12750	1.9
183.11639	4.3
185.13345	2.3
187.14810	3.6
195.13899	6.0
199.14941	4.1
205.01155	2.1
228.23291	3.1
261.22110	4.1
283.26550	2.4
284.26791	2.6
306.54047	1.7
312.29758	3.2
316.93661	2.1
345.13483	2.0
372.36749	1.8
388.99704	1.8
419.33557	2.5
437.34204	8.1
455.35193	4.3
456.39404	2.0
511.38232	2.6
529.38910	100.0
529.50128	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	529.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28855	0.4
65.11602	0.4
69.45090	2.1
69.45506	1.2
79.05457	0.6
81.07065	0.6
89.03906	2.4
95.04962	0.5
95.08538	0.5
95.30923	0.4
103.05457	0.5
107.04928	1.2
113.41782	0.4
115.05455	0.5
116.04957	0.7
117.03388	2.9
117.05697	0.6
118.06549	1.1
124.03915	0.4
130.06537	31.8
131.06027	2.1
131.06860	0.5
135.04411	4.7
142.06497	1.7
144.04398	1.7
145.02853	3.0
145.05197	0.5
146.06032	2.7
148.07568	2.6
155.06018	1.3
156.06737	0.5
160.03891	0.6
162.05470	0.4
163.03911	14.6
164.07074	0.6
172.03940	5.1
175.06265	2.6
176.07074	25.8
188.07074	2.2
191.86375	0.4
192.06566	0.6
200.03430	5.2
204.06575	17.9
204.08458	1.0
205.07239	0.6
218.04530	0.8
218.09604	0.7
219.09116	1.3
226.58887	0.4
232.06044	3.1
232.09679	0.8
233.10750	2.0
233.12730	0.5
234.07768	2.5
235.08643	4.5
239.89262	0.5
243.09186	1.4
245.10635	0.7
246.07962	1.3
247.08545	0.8
249.07855	0.7
249.10258	5.3
250.10887	0.7
259.08594	1.1
260.07013	0.6
260.09430	1.0
261.07748	0.6
261.10181	4.1
262.07419	1.2
262.10889	0.9
263.08167	3.4
263.11865	0.6
264.10120	1.9
264.85947	0.4
271.08679	1.1
272.09491	4.5
273.10223	1.0
274.07321	0.6
274.10986	1.2
275.08539	0.6
275.11880	1.3
276.10248	2.3
277.09717	6.9
277.12726	0.4
278.10510	11.4
279.11066	0.5
287.08231	0.8
288.08835	2.8
289.09744	4.9
290.10477	1.6
291.11261	2.5
292.09564	5.3
293.09756	0.6
293.12787	2.6
294.11148	1.3
303.11310	4.7
304.09357	0.8
304.12329	0.8
305.12796	3.3
307.10773	0.8
316.08414	1.3
320.09070	0.9
321.12335	100.0
322.12738	1.8
331.10645	1.0
331.83011	0.5
343.00690	0.5
349.11850	15.4
367.12903	11.9
405.14810	0.4
423.79398	0.5
529.16064	38.2
530.16284	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	528.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.9
55.01884	1.3
55.05505	1.5
61.02911	1.8
65.03927	1.1
68.99787	2.9
69.03414	3.5
71.04993	1.2
79.05502	2.8
80.05019	1.7
81.03433	13.4
84.04459	1.2
85.02900	2.6
87.00836	12.2
91.04962	1.6
91.05492	16.5
97.02902	22.8
98.06068	3.5
99.04468	2.5
104.05001	0.9
105.01867	8.3
106.06543	1.9
107.04953	2.5
108.04478	3.8
109.02886	35.0
109.10198	0.9
111.92186	0.8
116.04984	3.4
119.04102	2.1
119.04953	31.7
126.05529	7.1
127.03925	18.2
129.01878	2.0
131.04913	1.3
134.06020	4.9
142.06508	1.6
144.08076	6.6
147.04419	100.0
149.78043	0.9
158.06026	1.3
170.06018	1.2
172.07561	8.2
200.07074	10.2
212.05453	1.2
213.04001	1.8
214.08794	1.0
218.08119	4.7
230.06599	5.3
242.08197	3.8
256.09720	1.3
302.10498	1.5
332.45950	0.9
346.09055	1.8
351.50409	1.0
364.10132	1.7
384.28128	1.0
393.37167	0.9
528.14941	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	529.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51636	0.4
52.18798	0.4
61.02907	0.6
67.05485	1.1
69.07062	0.6
69.56742	0.4
71.38358	0.9
77.17680	0.4
79.05448	1.5
79.18176	0.4
81.07035	1.2
83.04935	0.9
85.02884	0.6
89.03882	1.7
91.05456	1.4
93.07044	1.0
95.04939	0.8
95.08584	1.0
97.06511	0.4
98.30071	0.5
105.06998	1.2
107.04914	1.5
107.08581	0.7
109.02820	0.6
109.06444	0.4
109.10143	0.6
114.03443	0.4
115.05415	1.1
116.04960	0.5
117.03362	2.5
117.05757	0.6
118.06511	1.0
118.50036	0.4
119.08557	1.4
121.10122	0.6
127.03916	0.5
130.06534	33.9
131.06013	1.7
131.08499	0.5
133.02893	0.5
133.10094	0.6
134.05995	0.9
135.04419	4.6
135.08023	0.5
137.09660	0.4
142.06514	1.5
144.04454	2.1
144.78738	0.4
145.02814	1.8
145.10074	0.7
146.06035	2.7
146.07021	0.7
147.11754	0.6
148.07597	2.5
149.02325	0.4
155.06053	1.0
156.06810	0.6
157.10150	0.5
159.11676	0.5
160.03882	0.9
161.04645	0.5
163.03914	14.4
164.07060	0.6
172.03928	5.2
175.06290	2.8
176.07085	24.1
181.07666	0.6
185.13187	0.4
186.05510	0.6
187.14830	0.5
188.07071	1.7
192.06590	0.8
200.03444	4.5
204.06575	17.8
204.08443	1.0
217.08791	0.7
218.04483	0.9
219.09245	1.3
220.11131	0.5
232.06024	3.2
232.09920	0.8
233.08762	0.4
233.10730	2.2
234.07921	1.7
235.08604	3.5
243.09198	1.0
244.09850	0.6
245.10759	1.0
246.07748	0.9
247.08624	0.6
249.07877	0.9
249.10207	4.8
250.10951	0.8
251.09485	0.6
259.08578	1.1
260.09509	1.4
261.07767	0.8
261.10226	4.4
262.07346	0.7
262.11035	1.0
263.08200	3.6
263.11630	1.0
264.10181	1.5
271.06012	0.9
271.08710	1.7
272.09399	5.0
273.10229	1.0
274.07773	0.7
274.11032	1.1
275.08850	0.4
275.11807	0.8
276.10266	2.4
277.09747	6.8
277.12814	0.6
278.10504	11.8
279.11057	0.5
287.08185	1.1
288.08954	2.2
289.09760	3.9
290.10480	1.7
291.11209	2.3
292.09500	4.2
292.11618	0.6
293.12662	1.9
294.11255	1.1
303.11307	4.1
304.09418	0.6
304.12390	0.7
305.12863	2.8
316.08450	0.8
321.12341	100.0
322.12598	1.6
331.10843	1.0
349.11853	14.5
356.79810	0.5
367.12872	12.3
373.57419	0.4
529.16071	39.1
530.16138	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	528.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
56.51134	0.4
65.03928	1.1
67.01857	1.0
69.03422	1.8
71.04988	1.1
71.59203	0.7
79.05499	0.8
79.64145	0.5
80.05005	0.6
81.03416	3.5
83.79481	0.4
85.02897	1.5
87.00851	0.7
91.05485	11.4
93.07025	0.4
96.04462	0.9
97.02905	4.0
97.50913	0.4
99.04472	0.9
99.34016	0.4
103.05473	0.4
106.06565	0.7
107.04984	0.4
108.04493	1.1
109.02875	5.4
116.04982	0.8
118.06577	0.7
119.04950	26.0
124.03952	1.2
126.05481	0.4
127.03937	4.5
130.06523	2.1
134.06084	0.8
144.08054	0.5
147.04416	100.0
148.04762	0.8
158.06020	10.9
165.05478	3.3
171.08136	0.5
176.07054	2.0
186.09166	0.7
199.07529	0.8
200.07069	0.4
214.08659	0.8
242.08235	2.2
242.10417	0.4
272.21396	0.4
291.08713	1.3
346.09546	0.6
349.43845	0.4
375.15469	2.3
377.08548	1.0
382.11298	1.4
395.09769	5.8
528.15112	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	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44072	0.6
53.03946	2.1
55.01870	1.4
55.05514	12.8
57.03448	3.4
57.07077	3.0
65.03943	1.8
67.05511	23.4
68.97038	0.6
69.07070	10.2
71.04979	1.6
77.03902	0.6
79.05502	18.9
81.03407	1.7
81.07066	25.7
83.04988	2.4
83.08618	5.8
85.06559	1.5
91.05487	19.4
93.07053	18.3
95.04971	2.9
95.08611	17.1
97.06519	2.1
97.10159	3.6
98.20734	2.3
105.04548	0.7
105.07043	21.1
107.08599	10.1
109.06518	1.3
109.10165	5.9
111.08087	2.0
115.05447	1.6
116.06171	0.7
116.07876	0.7
117.07030	11.9
119.08593	14.8
121.10149	7.5
123.08079	1.9
123.11719	1.3
125.09686	1.4
128.06221	3.1
129.07019	13.0
130.07770	0.9
131.08578	22.5
133.10144	9.9
135.11725	2.9
137.09534	0.8
137.61102	0.7
141.06976	5.5
142.07803	3.1
143.08566	16.6
144.09344	1.2
145.06506	0.7
145.10147	16.7
146.46941	0.8
147.11700	4.8
149.09663	1.1
149.13289	1.7
153.07022	0.7
154.07759	1.7
155.08572	11.3
156.09323	1.7
157.10146	15.8
159.11699	11.7
161.13307	2.0
163.11279	1.0
165.07028	1.3
166.07822	1.1
167.08557	3.4
168.09352	1.3
169.08699	1.3
169.10124	12.9
171.07982	0.8
171.11702	13.4
173.13269	6.7
175.14816	1.6
179.08673	0.9
180.09290	1.0
181.10127	5.4
182.10944	0.8
182.36052	0.8
183.11719	13.2
185.13298	8.7
187.14818	2.9
193.10188	1.7
195.11760	5.7
197.13297	9.5
199.14816	5.9
201.16534	1.1
207.11717	2.4
209.13300	4.6
211.14738	4.0
213.16431	2.0
221.13281	2.6
221.15439	0.8
223.14920	4.6
225.16418	1.8
227.17957	1.5
235.14861	2.1
237.16397	1.9
239.18077	1.3
241.19586	1.0
249.16455	1.0
251.17973	0.9
256.26471	0.9
259.20679	1.6
263.18018	1.0
265.19443	1.2
269.18942	1.0
277.19650	0.8
281.18982	0.8
283.20575	2.2
285.18835	0.8
291.21078	0.7
295.20526	1.4
297.22269	1.8
301.21567	1.2
309.22168	1.2
311.23846	1.7
313.21729	1.5
315.23273	1.9
321.22018	1.0
323.23682	2.3
325.25244	1.1
327.23187	1.0
335.23593	0.9
341.24799	1.1
353.24768	1.0
355.26477	0.8
367.26465	0.9
371.25809	0.8
407.33365	1.0
417.31467	5.9
429.29968	0.8
435.32648	18.1
453.33658	7.3
471.34622	3.0
473.34262	1.8
491.34933	1.9
509.36240	11.8
527.37311	100.0
528.37585	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	527.117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28709	3.5
56.96544	5.1
69.03421	5.4
71.37337	5.8
85.02895	10.4
87.48457	3.5
98.97544	6.9
101.00866	9.0
112.89621	31.8
114.89349	23.5
119.01916	10.7
125.63103	3.7
131.01920	4.0
137.01872	3.3
142.01775	6.0
143.01904	18.7
145.03473	7.8
155.01909	15.8
157.03517	4.0
159.05026	7.3
160.02861	4.2
161.02972	20.3
171.05089	2.9
173.02962	16.3
174.03160	3.5
185.02876	20.4
185.04387	5.3
197.02855	6.1
197.17749	3.1
201.00661	4.7
203.03635	21.0
203.05450	5.7
213.06067	4.2
215.04082	4.7
219.01808	5.8
221.04570	13.0
227.03955	3.2
245.05048	45.6
251.27756	3.3
263.06116	12.9
265.05615	3.8
275.06015	18.7
289.30548	3.6
293.07281	3.8
305.07153	13.7
347.08313	6.9
365.10571	100.0
366.99554	3.2
407.10434	4.3
425.11346	4.7
527.11194	52.6
527.15717	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01873	2.9
55.05513	16.1
57.03426	4.0
57.07070	4.9
60.08161	1.5
62.45268	1.3
65.03936	1.7
67.05167	2.1
67.05507	29.0
69.07068	12.8
71.04993	2.0
71.08626	3.2
71.32529	2.9
72.56708	1.4
79.05067	1.8
79.05499	24.3
81.03424	4.9
81.07062	32.0
83.04986	2.6
83.08615	6.8
85.77174	1.5
86.09703	1.6
89.06020	6.9
89.16196	1.7
91.05482	23.7
93.07052	24.7
95.04974	3.9
95.08617	18.3
95.10694	1.3
97.06528	3.1
97.10175	2.3
105.07040	22.3
107.08585	15.1
109.06549	2.1
109.10173	9.0
111.08107	2.0
115.05495	1.9
117.07022	13.7
119.08595	14.7
121.10143	7.8
125.09606	1.9
128.06242	4.4
129.07011	15.0
131.08582	18.6
133.08601	4.7
133.10132	13.1
135.11670	5.5
141.06995	4.6
142.07829	5.3
143.08542	18.4
145.10129	16.8
147.08118	2.5
147.11690	5.5
149.13245	2.1
155.08530	9.3
156.09325	2.0
157.10150	16.1
159.11699	10.2
161.13245	3.5
167.08568	2.8
169.10115	12.6
171.11696	15.4
173.13287	6.8
181.10086	7.4
183.11703	12.2
185.13283	8.8
187.14833	2.9
195.11681	6.2
197.13318	7.9
199.14809	3.7
207.11884	1.9
209.13245	4.4
211.14894	3.3
223.14807	4.5
225.16414	2.1
235.14941	2.6
237.16364	1.6
241.19342	1.7
249.16373	1.8
265.19785	2.0
297.22205	1.7
309.22235	1.9
311.23682	1.5
313.21411	1.8
315.23309	2.2
327.20068	2.0
337.25223	1.8
341.24658	2.2
417.31387	6.3
433.30984	1.6
435.32703	16.3
453.33667	10.4
471.34619	3.7
509.36267	9.3
527.37335	100.0
528.37579	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	526.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	18.2
57.03440	9.5
57.07084	7.5
63.10619	3.7
67.05508	100.0
69.06761	3.1
69.07079	21.2
71.04964	3.9
71.08641	4.4
71.20647	7.0
71.21001	5.7
71.78929	2.8
79.05497	9.3
81.07053	36.7
83.08624	11.9
83.72482	3.1
89.05540	6.4
89.06041	63.7
91.05494	7.9
93.07046	11.8
95.08607	30.5
97.10191	4.1
105.07027	4.8
107.08638	4.8
109.10162	60.2
119.08588	5.0
121.03178	3.2
121.10115	3.9
123.11642	4.6
128.98656	3.3
133.08614	44.2
137.09721	4.0
144.40495	3.3
160.01357	3.2
165.16158	3.0
173.11734	18.4
177.11237	11.9
229.14354	70.6
248.65018	3.5
263.23810	4.1
327.20135	29.7
337.27393	61.9
491.37347	52.7
532.33844	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	526.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.1
57.07082	60.0
67.05500	4.3
69.07080	9.1
69.95017	5.4
70.09975	1.4
71.08641	61.2
73.06549	4.5
81.03449	2.0
81.07044	1.6
83.08611	4.5
83.24317	1.5
85.10191	36.2
87.04461	4.9
89.06039	100.0
91.05473	1.8
93.06985	2.1
95.08590	2.6
95.94360	1.6
97.10176	3.6
99.11739	5.9
107.07065	4.2
111.11734	3.8
113.13293	5.3
117.09103	6.4
125.13269	2.6
127.14790	4.3
133.08615	73.5
147.11565	2.1
177.11240	25.7
183.21008	1.5
184.07309	1.5
195.12225	2.0
221.13959	3.7
239.14935	3.8
267.51785	1.7
271.26251	3.2
283.17471	4.0
315.28860	5.0
327.20139	28.4
343.47296	1.7
411.21576	1.5
503.77466	1.6
509.40698	16.9
526.34998	2.1
526.41998	3.1
527.36786	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	526.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77851	0.3
53.03959	0.4
55.05522	0.4
60.04472	0.3
65.03956	0.6
66.20427	0.3
67.05511	5.7
68.05038	0.9
69.03448	0.8
69.07074	2.0
69.81831	1.4
70.06598	100.0
71.06920	0.4
79.05499	0.8
81.03419	0.7
81.07050	0.7
83.04974	0.5
84.08144	0.8
85.02932	0.5
85.71983	0.3
91.05480	1.8
93.07077	0.7
94.06603	1.0
95.04973	6.2
95.08634	0.5
97.02882	0.6
105.07063	1.4
107.08596	2.6
109.02908	0.4
109.06544	0.5
109.10175	1.5
112.07618	13.9
113.06020	0.3
114.05533	1.6
115.05465	0.5
117.07063	0.9
119.08610	0.7
121.10162	1.9
122.07319	1.4
123.08154	0.4
124.07634	0.6
127.03947	0.4
130.08684	1.2
131.08583	0.5
132.64584	0.4
133.10139	14.6
135.08076	2.9
136.07625	1.5
137.09633	11.6
143.08627	0.3
149.13271	1.5
154.08682	0.9
156.06544	0.5
163.04005	0.4
164.07118	0.9
165.07529	0.6
172.09685	0.4
173.13278	1.1
177.05516	0.5
191.14342	6.3
209.15511	0.8
212.12094	0.4
220.09749	0.5
238.10840	1.2
255.80876	0.3
256.11838	1.7
274.12878	6.8
274.15613	0.5
288.14374	0.4
292.13937	4.3
318.11978	0.7
336.12961	4.1
348.15964	0.3
376.60013	0.4
464.26697	0.6
482.27539	13.5
483.27600	0.6
526.26740	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	526.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59118	1.0
72.08156	7.4
79.78185	0.6
109.02991	0.9
114.09173	5.7
114.13123	0.7
115.05492	1.5
117.05747	1.3
118.05706	1.0
118.06551	19.9
118.08662	0.8
121.39818	0.8
127.03875	1.3
130.06523	1.2
132.08093	6.4
140.65028	0.7
142.06537	1.9
142.08635	3.2
143.07320	2.7
144.08098	12.3
146.06020	69.4
151.08136	0.7
159.09177	5.9
160.07581	0.9
160.09776	1.1
170.06020	4.5
188.07079	100.0
189.07344	1.6
200.40692	0.8
205.09734	45.2
206.10072	1.0
208.34502	0.9
304.13995	1.0
394.79706	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	526.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05544	1.0
67.05496	2.1
69.56937	7.2
70.06591	6.5
79.05493	2.1
80.05032	1.8
81.07050	1.2
82.06588	3.8
89.03906	1.5
91.05477	2.7
93.05781	1.6
93.07039	3.3
94.06564	9.2
95.04976	1.4
95.07340	3.9
96.08138	17.3
103.05486	1.4
106.06550	4.3
107.08620	1.3
108.04478	4.4
108.08131	12.8
110.06050	1.2
110.09694	11.8
112.07571	1.5
114.05507	2.2
116.04980	7.2
120.08114	12.3
122.06026	9.7
124.07601	51.0
136.07588	12.0
138.09149	18.9
144.04451	14.2
146.06013	8.7
148.07605	6.2
152.07106	7.3
160.03972	6.3
162.05524	3.4
163.03920	1.1
166.08656	40.0
168.06621	5.6
172.03944	43.7
173.04675	1.8
174.05516	4.5
178.04935	1.0
190.05003	68.4
191.05646	1.1
204.06572	35.7
206.08110	3.3
207.09323	1.1
208.10019	1.1
210.11624	1.2
221.10767	1.0
223.08824	1.0
223.12231	1.5
225.10309	2.4
236.09433	2.7
237.10243	1.4
239.11758	1.5
244.09692	2.0
248.05315	1.2
249.10240	1.5
251.11761	4.5
252.08852	1.6
253.09749	2.0
255.11227	1.3
264.08926	2.7
265.09668	1.2
267.11282	1.9
279.11279	9.4
281.09201	2.6
287.10269	3.6
295.10745	2.4
297.09149	1.3
297.12378	17.6
299.10431	5.9
299.13470	1.0
307.10855	5.0
311.10449	1.2
313.11658	2.8
323.10172	8.3
325.11850	100.0
329.11359	24.5
341.11322	12.6
343.12839	11.0
357.14554	3.2
373.13782	1.3
448.18430	3.1
450.20032	1.5
452.18222	5.2
466.18912	1.6
476.18292	10.3
494.19257	59.8
508.20648	5.7
526.21375	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	526.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65139	0.8
65.03924	1.0
69.32245	1.3
69.32662	7.9
70.06599	9.8
79.05494	1.8
81.05797	1.2
81.07038	1.7
82.06572	2.8
89.03922	1.5
91.05472	2.0
93.05796	1.2
93.07037	2.8
94.06570	8.1
95.04973	1.3
95.07342	3.4
96.08142	12.0
98.04578	0.8
104.05010	1.0
106.06543	2.9
107.08608	1.0
108.03805	1.3
108.04488	18.4
108.08128	11.5
109.04008	0.9
110.09683	9.4
112.07618	1.6
114.05518	3.7
116.04972	6.9
118.06497	1.0
120.04466	1.6
120.08120	10.5
122.06032	11.6
123.04425	1.4
124.07603	47.7
130.06491	1.1
132.04492	1.5
133.10133	1.5
136.07587	12.1
138.09146	18.1
140.07043	2.8
144.04454	10.7
146.06021	19.9
148.07565	6.7
150.05505	3.0
152.07074	7.7
160.03979	5.4
160.05045	0.9
162.05473	4.2
166.07359	1.5
166.08661	18.2
168.06578	18.6
172.03937	42.2
172.05426	2.0
173.04691	2.6
174.05516	12.8
182.09581	1.2
190.05008	62.7
191.05739	1.4
204.06572	39.0
206.08141	12.9
223.12341	1.3
225.10240	1.7
236.09464	2.7
238.11067	1.5
249.10355	1.2
251.11783	4.4
252.08887	2.2
264.08984	3.0
278.10507	1.1
279.11276	10.3
287.10251	1.0
295.10654	2.4
296.11560	1.8
297.12357	18.7
299.10266	2.3
307.10828	8.2
313.11740	4.7
323.10223	8.9
324.10590	1.1
325.11847	100.0
326.12170	1.8
329.11359	6.8
336.12799	1.3
341.11331	14.2
343.12823	13.2
357.14465	1.7
359.12332	1.9
361.14038	1.7
373.14081	7.7
448.18359	1.8
450.20273	1.4
452.18356	4.6
466.19653	2.0
476.18298	6.9
494.19257	68.9
495.19351	1.4
508.20807	7.4
512.20294	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	526.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
54.87580	0.3
55.05511	0.4
55.52535	0.3
57.29972	0.3
58.12110	0.3
59.98975	0.3
67.05510	1.8
68.05034	39.6
69.03432	0.8
69.07082	0.9
70.06598	19.9
71.59550	0.7
77.62226	0.4
79.05496	0.8
80.04999	0.4
81.03417	1.3
81.05762	0.4
81.07063	1.0
82.06606	3.0
83.05009	0.4
85.02898	1.1
86.06058	0.4
86.09722	0.3
87.00822	0.5
91.05492	0.9
91.09815	0.3
91.50226	0.4
93.07062	0.5
95.04971	1.5
95.08606	0.5
96.08147	2.3
97.02897	1.4
99.04498	0.4
107.04970	1.8
107.08615	1.0
109.02887	1.6
110.06063	1.7
111.04436	0.4
112.07619	0.8
114.05538	100.0
117.07016	1.9
119.08559	0.5
123.04442	0.6
124.07600	15.3
127.03924	1.9
128.07143	0.3
131.08571	0.4
133.06517	1.0
133.10136	2.1
134.06822	0.4
135.07065	0.3
135.08086	1.2
137.05984	0.6
137.09660	1.5
142.08649	20.3
147.04463	0.5
149.13303	0.5
156.06569	6.9
163.03941	0.8
163.07545	0.6
173.13249	0.5
174.07654	0.4
177.05455	0.5
177.09071	0.6
178.16519	0.3
183.93225	0.3
191.14230	0.7
213.04039	0.5
217.68903	0.4
223.09599	0.4
231.05003	0.4
258.09851	0.5
274.13007	0.9
282.09698	1.1
300.10892	1.3
318.11911	1.6
336.12723	0.6
344.09824	0.8
362.10770	0.9
482.27441	0.6
526.19287	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	526.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01974	0.3
53.03952	0.8
55.01867	0.3
55.05508	0.4
67.05511	1.3
68.05034	40.7
69.03423	0.9
70.06599	16.8
71.06934	0.5
71.58138	0.5
73.94419	0.3
79.05490	0.8
80.05020	0.3
81.03431	0.9
81.05800	0.3
81.07059	0.7
82.06582	3.9
83.04976	0.4
85.02907	0.8
86.06078	0.8
87.00895	0.4
91.05493	0.9
93.07068	0.3
95.04996	1.1
96.08147	0.8
97.02908	1.6
105.01884	0.5
107.04958	1.3
107.08620	0.4
109.02893	1.6
109.10168	0.4
110.06052	2.1
112.07615	1.1
114.05539	100.0
117.07020	1.3
119.08614	0.5
121.06501	0.4
121.63822	0.3
124.07606	8.1
127.03928	1.0
128.07079	0.4
131.08571	0.4
131.09949	0.3
133.06445	0.7
133.10144	1.4
135.08044	0.5
136.07568	0.6
137.05995	0.5
137.09650	1.1
142.08641	10.6
145.04958	0.3
154.05051	0.4
156.06567	6.1
170.25873	0.3
174.07605	0.5
177.05423	0.5
187.07610	0.3
191.14310	0.4
213.04027	0.5
231.05023	0.9
258.09689	1.0
274.12949	0.5
282.09741	0.9
300.10776	1.6
318.11844	1.3
344.09583	0.8
362.10745	1.4
482.27139	0.7
504.21307	0.4
526.25867	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	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.4
57.07062	8.9
61.81049	3.6
66.74126	3.7
66.83896	3.6
67.05508	26.4
69.03437	7.6
69.07064	28.3
69.62589	15.2
69.62996	8.7
70.06596	8.0
70.26685	3.3
71.04972	3.9
74.44994	4.1
79.05496	16.2
80.31856	3.5
81.07065	100.0
83.08622	13.1
85.06552	52.3
91.05457	8.6
93.07058	21.6
95.08611	62.4
97.06533	7.2
97.10190	8.8
98.21468	7.3
99.08102	15.6
101.68051	3.4
105.07027	19.0
107.08610	31.7
109.10165	37.7
111.08140	18.1
111.11752	4.5
113.06001	7.1
119.08590	10.1
121.02893	4.3
121.10164	27.9
123.11735	45.0
125.09650	13.8
127.03914	5.4
131.08591	4.4
133.10135	11.0
135.11679	18.1
137.13303	12.4
139.11220	9.5
147.11708	8.7
149.13286	29.7
151.14899	4.4
153.12805	5.3
161.13310	22.5
163.14867	14.7
165.12717	5.5
166.08676	5.0
191.17966	7.6
205.19635	4.9
217.19537	43.7
223.20634	6.7
235.20601	54.4
253.21674	56.5
273.25803	6.1
291.26785	19.9
309.27948	8.7
327.28973	4.6
345.30057	7.2
481.24109	10.6
507.21951	11.4
525.23364	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	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67057	3.8
53.03941	3.3
53.80188	3.4
55.01855	5.8
55.05502	9.7
57.07073	4.0
62.14339	3.6
67.05523	23.7
69.03422	11.2
69.07075	33.7
70.06582	9.3
71.58959	6.6
75.39471	2.9
79.05504	22.1
81.03417	6.7
81.07064	100.0
83.04984	3.3
83.08629	10.8
85.02915	12.5
85.06550	21.4
91.05496	8.7
93.07056	39.4
95.04973	7.8
95.08616	58.7
97.02896	7.1
97.06514	5.9
97.10184	6.5
99.08109	17.1
103.05448	5.1
105.07024	9.6
107.08617	29.6
109.02898	6.2
109.10155	44.8
111.08097	5.4
111.11680	8.3
115.07534	4.4
117.06926	4.1
119.08593	7.6
120.00972	3.0
120.08121	3.6
121.02920	5.9
121.10148	25.7
123.11737	28.4
125.09633	12.7
127.03932	7.7
131.04927	21.3
133.10173	5.4
135.04471	4.3
135.11687	13.4
136.92960	4.0
137.13252	18.4
138.09166	5.8
139.11264	7.4
145.10158	3.9
147.04424	8.6
147.11716	6.0
149.13245	28.3
155.14334	11.8
159.06609	4.9
161.13284	7.7
163.03918	12.0
163.14861	11.7
166.08699	7.9
167.14326	12.7
171.13824	10.0
217.19514	13.3
233.10201	3.8
235.20605	16.6
253.21657	13.9
261.44553	3.5
273.25836	6.7
279.26917	5.9
289.05328	13.0
291.26813	26.1
294.09622	4.3
297.27875	9.5
309.27829	15.2
311.19067	4.6
327.28943	10.9
345.30020	4.8
395.33841	3.4
481.24005	12.4
525.23456	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	524.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05307	1.1
55.05519	13.5
57.03445	12.2
57.07067	3.8
59.04990	4.5
61.76906	1.2
64.21722	1.2
67.05511	100.0
68.60059	1.3
69.03400	1.2
69.07068	8.5
69.25039	13.4
71.04980	3.7
71.08629	1.9
79.05505	21.0
81.03411	2.7
81.07066	39.0
83.04964	2.0
83.08630	10.5
85.06546	2.8
86.59963	1.5
91.05495	14.7
93.07053	27.7
95.04956	3.5
95.08055	1.8
95.08617	28.2
97.06533	1.9
98.20680	2.9
98.21359	5.7
105.07063	9.0
107.08598	12.3
109.10170	77.0
110.23352	1.2
111.08101	3.4
117.07005	3.8
119.08605	8.9
119.21004	1.3
121.10165	10.7
123.11690	3.7
125.09629	1.9
131.08571	4.6
132.66333	1.4
133.10126	5.1
135.11697	7.2
137.09579	2.9
145.10188	3.4
147.11659	3.7
149.13249	3.5
155.10638	5.0
159.11691	2.9
163.14841	3.0
173.11774	22.7
173.13216	2.5
177.16495	1.3
184.07338	1.9
187.14833	2.5
227.12810	1.8
229.14378	71.8
243.21097	3.5
256.84155	1.4
261.22250	12.6
268.58081	1.3
317.24744	3.9
335.25830	72.9
336.26077	1.6
388.70187	1.5
444.75723	1.5
489.35773	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	524.3716
Annotation	PAF C-16
Peak:m/z	Relative Intensity
50.10534	0.3
53.94953	0.3
56.05016	0.6
57.03449	0.4
57.07085	0.4
58.06618	0.5
60.07874	0.5
60.08165	6.8
67.05507	0.5
70.71354	0.3
71.04630	0.8
71.07381	3.3
71.08617	0.5
81.07055	0.6
82.78625	0.3
84.01265	0.4
86.09709	31.8
93.24442	0.3
95.08610	0.6
98.98478	2.8
104.10755	2.8
110.83547	0.4
121.87658	0.3
125.00011	21.7
184.07349	100.0
215.53571	0.4
238.18248	0.4
242.43307	0.3
248.26683	0.4
264.50906	0.4
332.36310	0.4
506.35892	1.1
524.36987	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	524.3714
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05511	0.3
56.05040	1.1
57.07083	3.2
58.06586	1.4
60.08170	16.4
67.05508	0.7
69.07072	0.7
69.65784	1.4
71.07384	6.3
71.08636	2.1
81.07059	0.7
83.08629	0.3
85.10177	1.2
86.09714	52.1
95.08614	0.9
98.20808	0.5
98.98474	4.4
104.10754	100.0
105.11086	0.3
109.10166	0.5
118.98186	0.3
125.00016	28.7
143.01025	0.3
150.27492	0.3
163.01587	0.7
184.07358	99.1
185.07700	0.3
258.11044	1.3
341.30472	1.6
386.89648	0.2
447.28680	0.3
506.36099	9.0
524.37177	29.4
525.37372	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	524.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92782	0.4
53.03950	1.3
55.01871	0.7
55.05515	0.5
65.03941	0.6
67.05499	1.7
68.05022	0.5
69.89032	2.2
70.06594	3.1
74.06063	1.2
79.05494	3.5
79.36813	0.5
79.64699	0.5
80.05013	2.3
81.03450	0.7
81.05785	1.4
81.07050	0.9
82.06599	3.2
86.09705	0.8
91.05494	4.7
93.05790	2.0
93.07047	10.9
94.06575	13.2
95.04983	1.4
95.07363	12.6
95.08607	0.8
96.08138	25.4
97.06535	3.1
98.20831	0.9
100.18356	0.5
103.05489	2.8
105.04494	0.5
105.05812	0.8
105.07064	0.6
107.04947	0.9
108.08124	21.8
109.08886	1.6
110.09689	47.0
118.06554	0.8
120.08116	31.9
121.06506	2.0
122.06050	1.4
123.06802	1.4
124.07616	1.4
130.57874	0.6
136.06631	1.0
136.07594	12.6
138.05493	1.2
138.09148	52.1
146.05968	1.0
148.07594	9.1
150.09181	1.7
152.07057	0.8
154.08670	0.6
164.06998	0.7
164.57385	0.5
166.08649	100.0
167.08966	1.1
172.07664	0.6
192.08115	0.8
192.73500	0.5
193.07693	0.7
194.09732	0.6
199.08687	1.8
206.08235	0.7
207.09232	1.0
209.10738	1.4
210.07809	0.7
211.08640	3.4
211.12250	0.7
213.10275	2.1
219.09068	1.0
221.07162	0.7
222.07800	1.3
223.08600	4.1
224.09464	2.4
225.10249	6.7
227.08122	4.8
227.11746	1.3
235.08762	1.7
236.09401	1.3
237.10257	19.4
238.07414	1.8
238.11057	1.6
239.08138	8.7
239.11726	3.3
240.08917	1.0
241.09775	6.2
243.11342	0.8
247.08638	2.1
249.10208	1.8
250.07365	1.0
251.08145	5.7
252.09004	1.7
253.09732	16.6
254.10217	1.4
255.07657	1.1
255.11234	5.5
257.09171	0.6
264.08969	1.6
265.09738	31.9
266.07520	1.1
266.10461	2.6
267.07687	4.8
267.11292	8.9
268.11563	0.7
269.09290	2.4
275.08212	0.9
277.09708	1.9
279.07602	1.2
281.09219	18.9
282.09787	0.7
283.10791	16.7
287.10284	4.9
293.09219	25.7
294.09842	1.8
295.10788	23.0
297.08575	1.6
298.09631	0.7
299.10275	7.5
301.11813	1.4
309.08713	4.1
311.10257	16.4
313.11810	2.1
321.08682	11.3
325.11914	1.6
327.09790	22.8
327.13254	0.8
329.11401	1.0
330.12405	1.9
331.13165	2.0
339.09760	33.7
340.10110	1.1
341.11322	6.5
341.15054	0.7
343.12997	1.1
344.13895	2.2
345.14697	0.8
353.11349	5.4
356.14075	0.9
358.15665	1.0
359.12396	35.3
360.12912	0.9
360.16995	0.6
371.12399	26.2
372.13223	1.5
384.13776	0.9
388.16614	3.0
400.16739	1.2
416.15573	0.8
418.17892	4.7
428.16174	1.1
434.17038	0.8
436.18771	3.0
446.17126	14.5
448.18726	2.8
452.18030	0.8
464.18195	39.1
465.18420	1.3
474.16745	7.0
478.19427	1.8
492.17712	35.5
493.17889	1.3
496.20612	1.0
506.19238	5.8
510.18652	0.7
524.20319	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	524.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01861	1.6
56.77454	0.7
65.03953	0.7
66.10330	0.7
67.05495	2.4
69.03455	0.9
69.07063	1.3
70.06573	1.6
70.11076	0.6
70.51041	1.5
79.05490	3.9
80.05015	3.4
81.03416	1.1
81.05781	2.0
81.07058	1.1
82.06580	3.2
85.06560	0.6
87.07738	0.6
91.05489	5.0
93.05784	1.4
93.07056	12.7
94.06568	10.9
95.04969	2.0
95.07357	13.0
95.08599	2.3
96.08134	27.6
97.06542	3.2
98.23730	0.6
103.05453	3.1
105.04529	0.8
105.05757	1.0
107.08578	0.7
108.08126	22.6
109.08897	2.5
110.09686	45.1
118.06518	0.9
119.08572	0.9
120.08113	30.2
121.02865	1.3
121.06501	0.9
122.06030	2.1
122.09667	0.9
123.06826	2.0
124.07581	2.8
133.10242	0.7
136.07587	11.7
138.05566	1.0
138.09146	53.1
139.03946	0.8
146.06046	0.8
148.07588	9.9
152.07091	1.4
153.07146	0.6
154.08638	1.1
163.03912	2.0
164.07042	1.6
166.08649	100.0
177.16397	1.0
194.09720	0.9
197.10666	1.0
199.08662	1.9
209.10773	1.8
210.07739	0.7
211.08656	4.3
212.09454	1.0
213.10243	2.4
216.81389	0.7
219.09148	1.3
221.06812	0.9
222.07790	1.0
223.08734	3.7
224.09378	1.7
225.10287	6.0
226.07452	0.8
226.11169	0.7
227.08171	3.9
227.11816	0.8
235.08632	1.6
236.09438	0.9
237.06604	1.0
237.10231	18.9
238.07402	1.9
238.10965	2.2
239.08170	9.9
239.11789	4.1
240.09081	1.0
241.09741	7.1
243.11292	1.3
247.08714	2.0
248.09439	1.1
249.10211	1.2
250.07791	0.9
251.08223	7.0
252.09021	1.4
253.09744	18.7
255.07605	1.2
255.11276	6.1
264.08978	1.5
265.09729	34.9
266.06949	1.2
266.10458	2.6
267.07721	5.8
267.11313	8.8
268.08148	1.1
269.09241	3.3
277.09698	1.5
279.07617	2.8
280.08411	1.0
281.09225	20.9
282.09946	1.1
283.07834	1.2
283.10782	16.5
286.09277	0.8
287.10242	4.8
293.09210	25.9
294.09695	1.2
295.10815	22.0
296.11261	0.7
297.08701	1.3
298.09402	1.3
299.10297	7.5
301.11890	1.5
302.12607	0.8
309.08762	3.9
311.10254	18.8
313.11932	2.1
315.13501	1.2
321.08691	12.8
325.11899	2.0
327.09756	21.5
329.11487	0.8
330.12546	1.9
331.12988	2.2
339.09769	35.1
341.11285	5.8
343.13095	1.5
344.13940	2.1
346.15579	1.1
353.11414	4.9
356.14124	1.4
357.15213	0.7
358.15714	0.7
359.12399	39.4
360.12842	0.9
371.12402	26.5
372.13184	1.8
385.14188	0.7
388.16513	3.1
400.16956	0.9
416.16254	0.7
418.17688	6.5
428.16306	1.3
430.17673	1.0
436.18668	3.2
446.17197	15.7
448.18692	2.5
451.17654	0.9
452.18375	1.1
464.18234	37.4
465.18408	0.9
474.16608	7.0
478.19580	1.5
492.17700	44.6
493.18210	1.1
496.20898	1.0
506.19110	8.4
524.20251	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	524.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01861	1.6
56.77454	0.7
65.03953	0.7
66.10330	0.7
67.05495	2.4
69.03455	0.9
69.07063	1.3
70.06573	1.6
70.11076	0.6
70.51041	1.5
79.05490	3.9
80.05015	3.4
81.03416	1.1
81.05781	2.0
81.07058	1.1
82.06580	3.2
85.06560	0.6
87.07738	0.6
91.05489	5.0
93.05784	1.4
93.07056	12.7
94.06568	10.9
95.04969	2.0
95.07357	13.0
95.08599	2.3
96.08134	27.6
97.06542	3.2
98.23730	0.6
103.05453	3.1
105.04529	0.8
105.05757	1.0
107.08578	0.7
108.08126	22.6
109.08897	2.5
110.09686	45.1
118.06518	0.9
119.08572	0.9
120.08113	30.2
121.02865	1.3
121.06501	0.9
122.06030	2.1
122.09667	0.9
123.06826	2.0
124.07581	2.8
133.10242	0.7
136.07587	11.7
138.05566	1.0
138.09146	53.1
139.03946	0.8
146.06046	0.8
148.07588	9.9
152.07091	1.4
153.07146	0.6
154.08638	1.1
163.03912	2.0
164.07042	1.6
166.08649	100.0
177.16397	1.0
194.09720	0.9
197.10666	1.0
199.08662	1.9
209.10773	1.8
210.07739	0.7
211.08656	4.3
212.09454	1.0
213.10243	2.4
216.81389	0.7
219.09148	1.3
221.06812	0.9
222.07790	1.0
223.08734	3.7
224.09378	1.7
225.10287	6.0
226.07452	0.8
226.11169	0.7
227.08171	3.9
227.11816	0.8
235.08632	1.6
236.09438	0.9
237.06604	1.0
237.10231	18.9
238.07402	1.9
238.10965	2.2
239.08170	9.9
239.11789	4.1
240.09081	1.0
241.09741	7.1
243.11292	1.3
247.08714	2.0
248.09439	1.1
249.10211	1.2
250.07791	0.9
251.08223	7.0
252.09021	1.4
253.09744	18.7
255.07605	1.2
255.11276	6.1
264.08978	1.5
265.09729	34.9
266.06949	1.2
266.10458	2.6
267.07721	5.8
267.11313	8.8
268.08148	1.1
269.09241	3.3
277.09698	1.5
279.07617	2.8
280.08411	1.0
281.09225	20.9
282.09946	1.1
283.07834	1.2
283.10782	16.5
286.09277	0.8
287.10242	4.8
293.09210	25.9
294.09695	1.2
295.10815	22.0
296.11261	0.7
297.08701	1.3
298.09402	1.3
299.10297	7.5
301.11890	1.5
302.12607	0.8
309.08762	3.9
311.10254	18.8
313.11932	2.1
315.13501	1.2
321.08691	12.8
325.11899	2.0
327.09756	21.5
329.11487	0.8
330.12546	1.9
331.12988	2.2
339.09769	35.1
341.11285	5.8
343.13095	1.5
344.13940	2.1
346.15579	1.1
353.11414	4.9
356.14124	1.4
357.15213	0.7
358.15714	0.7
359.12399	39.4
360.12842	0.9
371.12402	26.5
372.13184	1.8
385.14188	0.7
388.16513	3.1
400.16956	0.9
416.16254	0.7
418.17688	6.5
428.16306	1.3
430.17673	1.0
436.18668	3.2
446.17197	15.7
448.18692	2.5
451.17654	0.9
452.18375	1.1
464.18234	37.4
465.18408	0.9
474.16608	7.0
478.19580	1.5
492.17700	44.6
493.18210	1.1
496.20898	1.0
506.19110	8.4
524.20251	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54530	2.7
52.87255	2.6
53.03951	6.3
55.05513	20.4
57.03432	11.4
57.07081	52.3
67.05505	36.6
69.07066	14.3
71.04996	4.0
71.08637	32.9
77.53837	2.9
79.05499	29.8
80.27952	2.8
80.98488	2.8
81.03423	29.9
81.07063	43.1
81.07529	4.3
83.05009	13.1
83.08630	29.5
85.02901	20.7
85.10191	21.5
89.06010	2.7
91.05491	38.7
93.07069	18.4
95.04967	19.4
95.08616	33.1
97.06541	3.5
97.10194	8.6
99.96051	2.4
105.07040	28.1
107.04980	5.9
107.08620	6.2
109.06547	4.0
109.10185	14.8
111.08072	7.3
119.08580	21.2
119.09337	2.9
121.10157	11.8
123.11748	7.8
129.07031	9.8
131.08589	11.5
133.10139	16.8
137.13225	4.2
142.07782	3.7
147.08043	3.9
147.11658	14.1
149.09654	5.3
157.10191	13.8
175.11186	15.6
193.12260	51.2
193.13847	4.7
211.13287	45.2
232.39633	2.9
239.23683	5.1
267.15927	27.3
285.21152	3.0
299.19940	3.7
313.27332	23.9
330.71362	3.1
505.38870	13.1
523.40015	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
53.05766	4.7
55.01851	4.2
55.05516	22.3
57.03427	15.7
57.07077	51.1
59.34122	4.2
67.05512	38.2
69.07054	14.7
71.08630	42.2
71.58485	9.1
78.70830	3.5
79.05496	13.7
81.03423	100.0
81.07059	40.0
83.04984	6.8
83.08633	37.0
85.02894	14.5
85.10172	16.7
89.06026	4.4
91.05485	20.9
93.07036	7.1
95.04974	30.3
95.08611	37.8
97.10139	9.4
105.07016	18.1
106.57307	4.0
107.08623	6.7
109.10141	14.4
111.08064	12.5
119.08551	22.2
121.10133	7.2
129.07019	6.4
131.08586	9.1
133.10126	4.2
137.09680	5.3
147.11671	9.0
154.48906	4.5
157.10107	13.9
175.11177	9.8
193.12288	54.4
211.13243	29.4
231.87363	3.9
239.23767	5.5
249.14992	3.9
267.15912	72.3
313.27344	74.7
326.34024	5.8
505.38950	43.9
523.39874	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01867	1.9
55.05259	1.1
55.05515	15.1
57.03441	8.0
57.07080	38.9
58.73888	0.8
58.81087	0.8
62.75136	0.7
65.03941	2.1
67.05509	26.3
69.03431	2.8
69.07074	13.1
71.05012	3.8
71.08637	30.2
79.05502	16.0
79.64579	0.8
81.03423	43.5
81.07063	33.1
81.68774	0.7
83.04990	9.7
83.08624	25.2
85.02908	21.5
85.06556	2.7
85.09709	1.3
85.10191	15.3
86.09716	3.2
91.03793	0.7
91.05486	18.3
93.07047	12.9
95.04977	17.8
95.08614	30.0
96.08950	1.0
97.02895	2.0
97.06536	1.8
97.10168	7.5
99.08092	0.9
104.10751	2.4
105.07042	13.5
107.04983	3.2
107.08607	5.1
109.06535	3.0
109.10162	13.1
111.04448	2.2
111.08084	8.1
111.11733	2.0
113.06033	1.5
113.47604	0.7
115.05499	1.4
117.07040	1.1
119.08578	13.2
119.09344	1.0
121.06525	1.1
121.10145	6.1
123.08083	1.8
123.11720	5.6
125.00009	1.4
125.09637	1.6
129.07011	6.7
131.08582	6.3
133.06546	1.5
133.10138	5.0
137.09680	1.1
137.13245	2.3
142.07784	1.7
145.10159	2.1
147.08066	1.0
147.11681	11.6
147.12781	1.0
149.09619	3.9
157.10156	8.1
165.12830	2.1
175.11197	10.2
184.07397	7.0
193.12253	45.4
211.13315	50.0
221.22618	1.1
229.14330	0.8
229.42740	1.0
239.23773	7.0
254.00388	0.7
267.15906	4.7
313.27386	4.9
328.32581	0.8
505.38803	2.5
523.39996	100.0
524.39783	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	523.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.01873	10.1
55.05509	19.5
57.03436	5.0
57.07085	9.3
58.14158	1.5
61.02924	2.9
65.36884	1.6
65.63979	1.7
67.05510	37.7
68.99784	4.9
69.03073	3.2
69.03433	35.2
69.06719	2.8
69.07072	40.6
69.30066	17.0
71.01374	2.1
71.04997	3.6
71.08630	3.2
73.02929	2.6
79.05498	22.1
81.03428	20.3
81.07063	100.0
83.04983	7.4
83.08629	19.0
85.02914	26.7
85.06543	9.3
87.00832	14.2
87.43932	1.7
88.90187	1.6
91.05483	20.2
93.07050	45.9
95.04977	10.4
95.08613	85.6
97.02908	12.7
97.06537	7.1
97.10165	11.8
99.04475	6.0
99.08146	2.0
105.01892	5.7
105.07037	26.5
107.04964	4.4
107.08603	40.3
109.02890	9.3
109.06545	12.0
109.10168	46.4
111.04463	8.2
111.08079	11.0
111.11732	3.8
115.03912	8.9
115.05439	2.1
117.07002	4.5
119.05991	1.8
119.08585	27.0
121.06525	5.5
121.10144	26.7
123.04462	6.4
123.08063	5.0
123.11724	33.2
125.06050	2.0
125.09663	5.0
125.13277	2.8
127.03907	13.6
129.01840	6.3
129.05524	2.1
129.07045	3.8
131.08556	12.2
133.06503	3.1
133.10132	15.1
135.08070	6.4
135.11708	20.0
137.05954	3.6
137.09631	5.2
137.13252	22.6
139.07556	2.7
143.08621	8.7
145.04948	2.1
145.10126	9.9
147.02907	2.3
147.08057	3.3
147.11702	16.2
149.09610	4.0
149.13277	28.7
151.07567	2.8
151.14848	5.7
153.09166	3.8
153.12740	3.1
155.08597	1.8
157.10164	6.0
159.02888	5.0
159.08098	3.7
159.11732	11.3
161.09630	4.5
161.13268	9.7
163.03937	2.1
163.07588	4.1
163.11205	3.0
163.14851	11.5
165.09143	4.8
165.12744	2.4
168.46123	1.8
169.10095	3.4
171.02888	2.2
171.11732	3.5
173.13327	7.3
175.11307	2.2
175.14838	7.1
177.09195	2.5
177.12798	2.4
177.16412	6.9
179.10709	4.6
183.11577	2.0
185.13281	5.6
187.11247	2.2
187.14780	3.1
189.03963	4.9
189.09140	1.9
189.12764	2.3
189.16376	4.9
191.10738	3.3
191.14272	2.1
191.17993	3.3
197.13309	2.6
199.14890	2.3
201.03984	3.6
201.12743	2.0
202.07336	1.5
203.14366	3.2
203.17973	5.1
205.19600	2.8
207.10107	2.9
213.04050	2.1
215.17860	4.1
217.19530	4.1
231.04938	3.1
231.13290	1.6
250.75729	1.8
253.09837	2.6
259.24020	2.1
273.25735	3.7
285.25980	2.3
291.26877	2.7
303.26865	3.2
315.26877	3.5
365.28516	3.5
383.29492	9.7
401.30405	11.4
419.31433	4.7
487.30560	9.3
505.31732	8.3
523.32544	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	523.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
56.90732	0.3
59.17450	0.3
60.35737	0.3
61.60642	0.2
64.50159	0.3
65.03927	0.4
69.07067	0.3
69.33278	2.8
70.06578	0.3
79.05491	1.4
81.07062	0.5
86.09685	0.7
89.03918	5.8
91.05485	0.6
93.03411	1.0
95.04946	0.5
102.58614	0.3
107.04968	2.3
107.08573	0.3
111.04460	3.0
117.03387	7.8
117.04227	0.4
120.08142	0.8
135.04427	18.0
136.07535	0.3
137.02351	0.7
137.05974	0.4
139.03905	5.1
145.02863	9.3
145.03943	0.3
146.59296	0.3
161.99051	0.4
163.03915	100.0
164.04214	0.8
164.07068	0.4
168.99452	0.3
171.55894	0.3
181.04968	3.0
230.02966	0.3
237.05507	0.3
238.06593	0.3
251.06960	0.5
265.04950	0.4
279.06598	1.5
283.06000	0.9
297.07590	0.8
307.05978	0.7
325.06903	0.6
517.90735	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	522.3555
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05500	1.8
56.05027	1.1
57.22099	0.4
58.06607	1.8
60.08163	16.6
67.05505	1.6
69.07070	2.1
69.90103	1.9
71.07380	6.7
72.88958	0.4
79.05476	0.9
81.07062	1.4
83.08624	1.2
85.90366	0.3
86.09707	51.1
93.07057	1.4
94.38857	0.4
95.08613	1.3
97.10150	0.9
98.98463	4.7
104.10747	99.0
105.07061	0.5
107.08636	0.6
109.10135	0.5
121.10135	0.8
122.95795	0.5
125.00008	28.9
149.13234	0.5
163.01488	0.4
165.36488	0.4
166.84669	0.4
184.07346	100.0
185.07582	0.5
258.11087	1.0
339.29010	1.4
504.34479	7.5
522.35559	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	522.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36285	3.9
55.05509	13.7
57.03422	4.9
61.49099	4.0
61.90355	4.2
64.43741	4.0
67.05497	21.2
69.03429	6.3
69.07069	18.9
71.08609	4.6
71.58907	6.7
79.05488	20.4
81.07059	29.8
83.08607	13.0
85.02916	6.3
89.71803	4.0
91.05462	19.8
93.07050	40.6
94.85316	4.1
95.04967	5.7
95.08626	47.8
97.02864	4.7
97.10178	4.9
99.08100	31.7
105.07036	72.5
106.07379	4.9
107.08607	63.9
108.08086	5.7
109.06511	7.7
109.10159	36.5
117.07017	9.2
119.08582	100.0
121.06490	6.1
121.10148	53.6
122.09654	9.4
123.08068	5.7
123.11713	13.0
129.07013	8.1
131.08582	50.0
133.10130	50.3
135.04437	4.8
135.08064	5.3
135.11711	40.1
137.09569	5.4
137.13222	5.3
141.07063	3.8
142.07820	4.0
143.08556	13.6
145.10135	50.9
147.04333	4.4
147.08020	4.5
147.11697	61.5
149.09645	5.9
149.13271	14.0
150.09167	48.2
151.11205	8.0
155.08540	5.5
157.10156	18.3
159.11702	43.1
161.13284	26.7
163.03906	7.3
163.11171	9.9
163.14810	18.0
164.15472	4.1
165.12781	4.9
170.10875	4.3
171.11713	14.3
172.03967	11.1
173.13292	39.0
175.14827	18.6
177.12775	5.6
177.16417	18.3
179.14368	7.8
183.11699	8.1
185.13255	23.4
187.14819	70.5
189.16368	31.9
191.14354	8.4
191.17915	8.0
192.27243	4.6
197.13191	4.5
199.14838	28.3
201.16403	93.5
203.14374	11.1
203.18100	9.5
204.06560	10.4
205.15918	53.7
207.17439	11.0
211.14769	9.4
213.16563	8.4
215.14409	6.6
215.17944	11.7
217.15869	8.6
219.17465	21.5
221.19011	6.3
223.16936	43.1
231.17455	6.4
237.10164	6.1
237.18597	7.0
245.19102	5.7
251.11980	5.2
265.09796	9.8
283.10779	6.2
293.09207	11.2
309.12390	11.3
325.11856	6.0
351.26923	5.8
353.11322	12.2
369.28165	5.2
389.31995	5.0
395.33047	4.9
405.31500	29.3
407.33047	45.2
423.32489	33.3
425.34222	46.8
440.12503	6.1
441.33685	68.2
443.35138	6.1
444.15244	6.3
451.32242	9.2
458.13489	7.8
459.34906	32.6
469.16968	4.5
469.33286	6.9
490.19772	28.1
522.19281	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	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87206	4.4
51.44210	4.1
53.03956	8.7
54.88250	4.6
55.05524	9.6
67.05514	10.5
69.03415	6.4
69.07067	15.1
69.56351	37.9
71.04988	23.6
73.28806	5.0
79.05506	29.4
81.03406	9.3
81.07059	96.1
85.02900	20.0
87.00838	12.6
91.05473	25.5
93.07062	45.4
95.04983	5.8
95.08624	28.2
97.02943	10.1
98.21439	10.1
99.08129	5.5
103.05378	4.8
105.01888	25.2
105.07041	59.4
107.08614	58.7
109.02869	10.2
109.10152	33.3
112.19527	5.0
119.08591	81.1
121.10167	15.3
123.11716	20.6
124.49166	6.0
125.09666	5.1
127.03905	14.7
127.11219	24.6
133.10150	43.0
135.11702	100.0
136.07594	8.2
137.13335	8.0
137.76590	5.3
143.10709	11.9
145.02820	5.8
145.05095	6.9
145.10239	9.0
147.04463	12.0
147.11697	23.7
149.13248	8.8
153.12732	8.3
161.13257	18.2
163.03941	11.8
203.17963	71.5
221.19048	49.2
249.06023	6.8
293.00595	5.4
523.22284	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	522.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70523	0.7
57.03418	1.4
61.02932	3.9
64.74886	0.8
65.03915	1.0
66.74696	0.8
69.03432	6.1
70.06568	1.0
71.58047	1.0
73.02918	1.0
81.03408	2.2
81.22855	0.7
85.02912	25.8
86.09696	0.9
91.03971	0.9
97.02895	6.7
98.84473	0.8
103.05470	0.7
109.02876	2.1
117.07045	1.0
121.02891	1.6
125.40936	0.8
127.03923	5.7
131.04936	1.5
132.05240	1.0
133.02838	3.7
135.04413	3.0
145.04965	9.4
149.02354	100.0
163.03923	82.0
163.06099	2.8
164.04303	1.2
180.08708	0.8
181.04977	32.9
208.88799	0.7
238.82626	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	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48853	1.0
53.03941	3.5
55.01881	8.4
55.05519	21.2
57.03431	3.9
57.07080	41.5
59.04998	2.5
63.33381	1.0
67.05511	28.2
69.07072	16.3
71.04987	3.9
71.08242	1.5
71.08636	28.2
71.59535	1.6
79.05496	20.8
81.03432	11.5
81.07064	39.5
83.01339	6.1
83.04982	11.5
83.08630	24.4
85.02921	3.3
85.06535	1.9
85.10191	13.0
91.05489	13.7
93.07050	22.4
95.04973	7.6
95.08615	32.4
97.02872	1.7
97.06550	4.0
97.10182	9.5
99.04465	1.1
99.11758	1.5
103.05489	1.3
103.61618	1.2
105.07046	10.1
107.04946	7.4
107.08584	11.4
109.06539	6.4
109.10159	16.8
111.04440	2.0
111.08125	1.8
111.11765	2.4
116.71932	1.0
117.07027	7.1
119.08585	9.8
119.21218	0.9
121.06513	2.6
121.10192	7.7
123.08086	7.5
123.11718	5.2
129.07042	2.2
129.87141	1.1
129.94446	1.0
131.08575	4.1
133.10121	3.8
135.08107	1.8
135.11717	12.9
137.09666	1.5
137.13266	2.3
145.10129	13.7
145.11154	1.6
147.08009	1.3
149.09656	2.2
151.14891	1.5
153.12761	3.1
155.08563	1.3
156.86415	1.3
157.10185	2.0
163.11201	23.1
173.09668	3.4
175.11319	1.2
181.12283	4.5
191.10728	1.7
193.12241	2.0
209.11639	7.8
211.13434	3.2
227.12837	7.7
237.22307	1.4
239.23734	9.5
267.15982	1.5
521.38458	100.0
522.38782	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	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01871	2.4
55.05522	12.6
57.07082	25.4
59.56786	1.2
67.05506	19.8
69.07085	10.3
71.08634	15.0
71.59949	2.1
79.05052	1.9
79.05499	18.1
81.03419	2.8
81.07067	25.9
83.04976	3.0
83.08628	15.2
85.10186	10.2
88.83913	1.3
89.08978	1.2
91.05482	9.5
93.07056	27.3
95.04961	5.4
95.08618	45.1
97.02855	1.9
97.06551	2.2
97.10187	5.1
99.04484	2.5
103.05525	1.6
105.07043	5.9
107.04941	7.0
107.08604	23.5
109.10166	11.2
117.07019	6.7
119.08606	7.0
121.06510	5.0
121.10180	9.5
123.11701	3.0
130.07799	1.3
133.10100	2.2
135.08138	1.7
135.11708	31.8
141.05000	1.3
145.10143	21.1
158.75188	1.3
163.11198	46.8
173.09709	1.6
181.12260	11.3
209.11806	3.1
227.12810	100.0
239.23756	4.6
269.52072	1.2
450.52560	1.5
521.38379	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3478
Annotation	Linoleic Acid-biotin
Peak:m/z	Relative Intensity
53.03939	6.9
55.01856	7.4
55.05532	8.2
56.58960	4.6
57.93576	5.3
66.52641	5.7
67.05491	16.6
69.03427	13.4
69.07066	19.2
69.89334	28.6
74.31327	4.4
79.05473	26.0
81.03419	9.7
81.07057	37.9
82.07357	5.4
83.08626	8.9
85.02906	14.5
86.09736	7.5
89.03945	10.8
91.05482	29.8
93.07047	38.7
95.04967	6.7
95.08606	26.4
97.06512	7.3
105.07032	40.3
107.04964	8.0
107.08601	50.5
109.02885	6.4
109.06532	7.4
109.10179	24.6
112.89973	4.9
117.03363	12.1
117.07010	8.4
119.04954	23.3
119.08582	56.9
121.10162	39.6
123.11689	5.5
127.03920	37.1
131.08614	25.9
133.10133	60.0
135.04395	23.1
135.11694	22.0
136.07568	6.0
139.03929	7.3
143.08588	10.7
143.12125	5.6
145.02832	16.5
145.10144	43.7
147.04419	100.0
147.11713	50.9
149.13219	7.2
150.13632	7.7
157.10120	13.2
159.11707	42.5
161.13292	19.5
163.03922	76.5
163.11240	7.9
163.14690	5.3
169.10117	7.0
171.11659	25.1
173.13258	36.7
175.14844	20.0
177.16412	13.4
181.01468	4.8
182.11061	5.8
183.11714	9.1
185.13313	12.8
187.11101	6.6
187.14841	26.8
189.12738	8.0
189.16377	18.1
191.14171	5.8
191.17905	6.8
197.13220	17.1
201.12712	6.6
201.16405	20.5
202.16769	7.2
203.14355	9.8
205.14288	7.1
205.15918	69.5
213.16399	8.2
215.14355	29.6
215.18066	6.4
219.17392	12.0
261.14923	8.9
270.56030	5.3
271.05960	5.9
273.06812	5.2
279.15869	20.7
295.06061	8.7
403.29800	11.2
421.30945	11.4
439.32068	22.0
467.31503	39.1
485.32666	63.8
521.10443	6.3
521.29321	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	521.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03895	1.4
60.04176	1.7
65.64381	1.7
67.00053	1.4
69.37573	1.7
69.38264	13.4
98.20683	3.5
106.90849	1.5
118.06539	18.0
130.06526	2.5
132.08101	4.8
142.06456	2.9
143.07283	2.1
144.08060	12.3
146.06013	54.2
159.09158	4.6
170.06041	4.1
188.07071	100.0
205.09717	35.1
236.14404	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	521.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
65.03947	0.9
67.01865	0.9
67.05494	0.3
69.03426	2.5
69.75758	1.2
71.04989	1.0
81.03421	4.1
81.07073	0.4
85.02905	1.5
87.00842	0.6
91.05481	9.7
95.05007	0.4
97.02892	4.9
99.04475	1.0
107.04950	0.4
109.02881	6.7
119.04950	23.6
119.08634	0.3
127.03922	56.0
131.04987	0.4
137.09511	0.3
145.02849	0.3
147.04414	100.0
148.04738	0.6
153.07008	0.4
163.03856	1.3
165.04146	0.5
165.05484	6.2
165.06874	0.4
189.45396	0.3
211.07593	0.4
221.43880	0.3
229.08604	0.4
231.05006	0.3
255.06436	1.5
270.05029	0.3
291.08655	2.4
309.09735	0.3
323.05283	0.3
377.08679	1.0
395.09741	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	521.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.9
55.01875	1.4
55.05512	1.4
62.02768	0.8
65.03928	1.8
67.01865	3.5
67.05500	1.3
68.99791	3.9
69.03445	4.6
70.06612	0.8
71.04976	0.9
71.59238	1.2
79.05479	1.6
81.03429	8.0
81.07037	2.8
85.02908	5.4
86.09684	1.3
87.00848	5.2
91.05492	12.3
93.07040	2.5
95.04982	1.6
95.08592	2.5
97.02898	11.9
99.04471	2.8
105.01869	4.1
105.07010	3.9
106.07296	1.2
107.04941	2.2
107.08579	2.9
108.08884	0.9
109.02882	19.4
109.10159	1.3
111.00816	1.0
117.07008	1.8
119.04951	24.1
119.08589	3.1
121.06528	2.0
121.10139	1.7
123.04448	1.2
123.11727	1.2
127.03928	70.9
129.01801	1.2
131.08592	2.2
133.10133	1.4
135.04436	1.2
135.11708	1.4
137.02332	2.4
137.05969	2.0
145.04953	2.3
145.10161	2.2
146.10408	1.5
147.04419	82.3
148.04726	1.1
153.01837	91.7
159.02893	3.1
159.11754	2.2
159.30258	0.9
163.03918	4.9
171.02902	26.3
173.13295	1.6
177.05582	0.9
179.03365	2.4
187.07623	1.4
195.02879	0.9
200.11008	0.8
203.14297	0.9
205.15948	0.8
208.80733	1.0
231.06750	5.1
237.05461	1.5
265.04913	1.3
271.06027	10.0
272.06448	7.4
273.07614	100.0
283.05997	3.5
351.46399	1.0
474.32724	1.0
490.96298	0.9
518.32068	0.9
521.10364	1.3
521.34467	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.05022	1.8
57.05501	0.5
58.06602	1.5
60.07874	1.0
60.08167	18.0
67.05499	2.4
69.07060	1.1
69.91748	2.4
71.07381	6.7
81.07055	2.4
86.09711	50.9
91.05463	1.1
93.06996	0.7
95.08610	1.4
98.21513	0.6
98.98483	3.9
104.10752	100.0
125.00012	29.4
136.52991	0.6
141.54483	0.5
163.01524	0.7
184.07355	99.3
188.40176	0.6
258.11142	1.0
337.27151	0.8
374.04056	0.6
391.69809	0.6
502.32901	8.0
520.34039	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	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04321	3.5
53.03947	6.3
55.01871	5.8
55.05511	16.2
57.07056	3.0
67.05486	15.0
69.03416	6.9
69.07056	12.5
69.24933	37.4
70.06598	5.3
71.04993	33.5
77.18640	3.4
79.05501	20.7
81.03420	10.7
81.07065	39.1
83.04984	5.5
83.08611	6.7
85.02896	13.0
85.06528	4.5
87.00816	10.9
91.05469	21.5
93.07050	37.9
94.07373	3.2
94.39787	3.7
95.04962	7.1
95.08614	44.0
97.02891	12.7
97.06538	11.9
99.08077	4.0
105.01871	11.2
105.07041	51.5
107.08599	37.2
107.57730	3.1
109.02879	6.2
109.06555	5.1
109.10155	18.9
111.08120	4.6
117.07095	4.6
119.08575	21.5
121.06466	5.1
121.10155	26.1
123.08037	3.9
123.11683	8.1
125.09642	28.2
127.03951	17.7
127.07531	3.8
131.08536	9.7
133.06554	3.4
133.10139	88.4
135.08025	4.2
135.11694	12.1
137.05904	3.3
143.08572	3.3
143.10698	39.3
145.04918	3.9
145.10117	21.1
147.04491	3.7
147.11679	25.1
149.13266	32.9
151.11162	6.6
157.10139	4.4
159.02925	3.6
159.11696	15.5
161.13260	15.2
163.03912	6.5
163.11183	3.4
167.14325	100.0
167.15767	5.1
171.11899	3.6
173.09732	6.2
173.13263	8.1
177.05458	3.8
177.93011	3.1
187.11235	4.5
191.14276	3.7
201.16336	20.2
204.06549	6.3
215.10576	3.9
219.17444	57.1
220.31616	3.5
237.10414	4.5
237.18506	15.1
254.17500	4.6
272.18472	5.0
318.64386	3.6
319.35635	3.7
400.31351	3.8
467.22797	6.0
485.28854	6.0
488.18213	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	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35338	7.8
53.03926	8.3
54.53571	6.9
55.01865	10.0
55.05508	22.5
61.19390	7.5
67.05495	32.0
69.03442	38.8
69.07060	9.0
69.47554	64.3
70.95156	7.7
71.04990	10.2
79.05499	38.9
81.03400	28.7
81.07066	87.7
83.04977	12.0
85.02919	79.0
87.00809	31.9
89.03879	7.3
91.05474	45.7
93.07062	87.4
95.04952	22.4
95.08618	63.0
97.02903	42.2
97.06506	11.2
97.10100	8.7
98.21568	13.7
99.04454	16.1
103.03894	7.7
105.01891	51.7
105.07041	100.0
107.04943	14.3
107.08607	79.7
108.75360	6.8
109.02867	29.2
109.06476	11.9
109.10157	47.2
117.07025	13.9
119.08587	71.7
121.10159	57.5
123.11665	20.1
127.03964	50.5
131.08566	21.6
133.10139	39.8
135.11700	28.7
137.05937	9.5
145.05006	27.6
145.10156	77.8
147.04414	9.3
147.11635	27.2
149.13237	34.8
159.02864	10.6
159.11714	48.0
161.13275	70.3
163.03922	42.9
163.11191	13.1
164.04271	8.4
171.11650	8.7
173.13289	19.0
201.16449	60.9
219.17511	32.7
231.04919	17.7
254.17549	12.3
255.86395	7.2
271.05945	44.3
272.06360	56.5
343.85605	8.0
398.88736	9.6
520.12842	8.8
520.20825	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	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34179	1.8
53.03944	3.5
53.88830	2.0
55.05513	8.1
55.99807	1.8
57.07073	4.0
59.05001	3.1
66.26488	2.1
67.05514	11.6
69.03423	4.6
69.07070	14.2
71.05001	5.2
71.26733	4.2
79.05492	15.9
81.03413	7.9
81.07066	44.2
83.04991	4.3
83.08636	3.4
85.02917	14.5
85.06552	9.4
87.00834	7.6
91.05469	20.5
93.07053	61.7
93.58734	2.5
94.06564	2.4
95.04985	5.2
95.08614	29.0
97.02892	13.1
97.06522	3.9
99.04465	4.6
105.01854	15.4
105.07040	37.2
107.08605	52.9
109.02866	11.6
109.06543	3.9
109.10159	17.8
111.08056	4.2
117.07008	8.0
119.04939	4.6
119.08581	23.1
121.10155	22.5
123.08120	3.2
123.11698	7.3
123.95673	2.3
125.09650	2.1
127.03925	27.4
130.07817	3.3
131.08582	11.6
131.56085	2.4
133.10129	17.1
135.11702	26.5
137.13274	3.8
144.09320	2.8
145.04961	6.0
145.10150	33.0
147.04449	8.4
147.11685	7.0
149.13264	13.1
151.11197	8.2
153.01836	5.1
157.10194	2.7
159.02986	2.3
159.11714	24.7
161.13222	10.9
163.11217	4.4
173.13225	5.1
175.14731	2.4
189.04080	2.1
191.17982	3.0
201.16475	18.9
219.17482	10.2
231.04907	4.5
271.06033	65.7
272.06378	100.0
272.09360	4.9
273.06589	3.0
280.82779	2.1
295.05963	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	520.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.05508	14.9
57.03435	8.8
60.04532	24.5
60.08149	7.3
61.49146	4.0
62.77079	4.2
67.05515	49.1
69.07060	15.7
70.02978	7.1
71.58871	6.4
73.30376	4.0
75.95975	5.2
79.05505	24.9
81.07059	45.7
83.08604	7.0
86.09688	11.6
88.03993	93.3
91.05492	16.4
93.07044	41.8
95.04978	5.7
95.08619	38.4
98.98474	45.2
104.10748	9.8
105.07032	20.5
105.11082	5.2
106.05044	50.6
107.08590	20.4
109.10154	11.7
117.07081	5.4
119.08564	15.7
121.10152	16.8
125.00000	7.6
133.10138	9.6
135.11758	10.2
145.10207	6.7
147.11703	9.8
149.13258	8.4
151.11174	5.8
155.01036	10.7
173.02139	8.8
173.13295	5.7
175.14937	5.0
184.07306	24.5
185.07697	9.4
243.21040	7.5
261.22128	19.3
317.24741	6.1
335.25836	100.0
348.25320	6.3
388.06909	4.8
389.93976	5.3
454.76218	5.1
520.35266	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	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.2
55.01860	4.6
55.05508	11.0
57.07070	3.6
61.02920	3.2
65.03940	4.3
67.05497	19.6
69.03448	16.4
69.07066	11.5
70.06603	3.7
70.80488	4.8
70.80798	4.9
71.04980	5.3
73.02940	3.3
79.05508	17.9
81.03418	20.6
81.07065	50.9
82.68172	3.2
83.04997	5.0
85.02909	33.4
86.06076	8.5
87.00836	17.3
91.05475	25.5
93.07051	48.6
94.07323	3.6
95.04971	8.4
95.08609	40.9
97.02885	16.2
97.06575	4.9
97.10155	3.9
99.04461	10.7
103.05466	5.3
105.01886	13.3
105.07038	57.7
107.04951	12.0
107.08607	43.4
109.02881	13.1
109.06554	3.7
109.10167	29.2
117.07032	13.3
119.08588	39.7
121.02916	5.1
121.10155	23.2
123.08070	5.0
123.11710	7.5
127.03933	28.2
129.06976	3.9
130.07762	3.7
131.08580	20.2
133.10132	27.5
135.04449	4.5
135.11665	17.9
136.07564	3.5
137.05994	11.2
139.03888	3.8
143.08572	7.8
144.09390	3.6
145.04950	12.9
145.10126	49.9
147.11678	21.7
149.09679	3.8
149.13313	6.2
151.11168	21.1
153.01854	5.3
157.10135	4.8
159.02956	4.2
159.11726	38.8
160.12119	3.0
161.13252	27.6
163.03917	10.6
163.14861	6.9
164.80406	3.6
166.84332	3.4
167.07014	6.5
169.10194	4.6
173.13283	10.1
174.31552	3.1
175.14841	6.6
198.11313	7.9
201.16403	49.8
203.17972	13.2
213.03978	3.3
214.18100	5.2
219.17412	19.0
231.04877	4.3
271.06021	57.2
272.06378	100.0
272.09299	6.5
300.12335	3.0
304.36386	3.0
308.10052	4.2
360.16714	3.9
389.61731	3.4
452.46536	3.9
502.32477	6.9
520.11169	6.9
520.19781	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	520.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05513	7.2
57.03212	0.8
57.03444	6.3
57.07074	1.0
60.08160	3.1
61.08507	0.9
65.03951	1.1
67.05510	30.7
69.06770	0.7
69.07075	6.9
69.44650	5.4
71.04990	1.1
71.07378	1.5
79.05060	1.2
79.05499	16.9
81.07066	25.0
83.04948	0.9
83.08625	2.5
85.06564	0.7
86.09196	1.3
86.09709	13.7
87.10034	4.7
88.03999	6.4
91.05479	8.2
93.07049	16.8
95.04975	1.3
95.08051	1.3
95.08614	19.7
97.06503	1.5
98.20742	0.8
98.98476	6.5
104.10758	1.0
105.07015	4.2
105.11076	0.7
106.05035	1.2
107.08615	7.7
109.06516	0.9
109.10155	7.7
117.07020	1.0
119.08575	2.8
121.10149	7.1
123.11698	1.8
125.00010	11.2
126.00406	0.7
127.00464	2.0
131.08571	1.9
133.10149	2.2
135.11697	2.4
145.10135	2.4
147.11717	1.9
149.13249	1.2
159.11771	0.9
161.13306	1.0
163.14828	0.8
173.02144	0.8
173.13281	1.6
175.14777	0.6
184.07352	36.8
185.07721	13.4
186.07800	10.7
236.34209	0.8
245.15594	0.7
261.22208	2.2
335.25815	100.0
336.26053	1.1
348.25500	1.8
456.28470	0.7
520.33252	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	520.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51249	0.4
55.05460	0.4
57.30832	0.3
63.36057	0.3
67.05489	0.4
71.59476	0.4
79.05460	0.8
81.07018	0.6
82.06543	0.9
91.05425	1.5
93.05692	0.5
93.07043	2.1
94.06557	2.4
95.04948	0.5
95.07353	1.8
95.08577	0.7
96.08148	4.1
97.06482	0.6
98.23397	0.3
105.07016	0.9
108.07438	0.5
108.08122	4.6
109.08948	0.4
110.09689	6.9
118.06494	0.4
120.04469	4.2
120.07258	0.4
120.08108	6.6
121.06425	0.5
121.10102	0.5
122.05980	1.4
122.09603	1.2
123.06779	0.9
124.07552	1.4
127.03909	0.4
132.08037	0.5
136.07581	3.8
138.09145	9.5
146.05925	1.1
148.07567	1.8
150.05429	0.7
150.09122	1.3
152.07121	1.8
152.10674	0.7
160.07562	0.5
163.03831	0.6
164.07059	1.1
166.08649	9.9
169.62132	0.4
174.09163	0.5
176.10701	0.9
180.10188	0.6
182.11726	0.5
190.04951	0.6
194.08151	1.8
196.09807	0.6
197.10699	1.1
207.09174	0.5
209.10724	1.2
210.11395	0.5
211.08656	0.6
212.09431	1.6
213.10175	0.7
220.09929	0.7
221.10754	0.9
223.08731	2.4
223.12230	1.9
224.09401	2.9
225.10223	4.6
226.11009	0.7
227.11743	0.5
233.10704	1.6
234.11646	0.4
235.08656	3.6
235.12393	1.0
236.09465	2.5
237.10237	13.3
238.10933	2.5
239.08167	2.5
239.11768	6.1
241.09727	1.6
245.12756	0.5
247.08574	0.6
248.09358	2.3
249.10243	9.2
250.11005	4.5
251.08139	6.0
251.11787	9.0
252.08862	0.6
252.12531	1.6
253.09702	7.0
253.13542	0.5
254.10463	0.7
255.11552	0.8
256.29123	0.4
261.10236	5.1
262.11002	2.6
263.08102	1.2
263.11771	6.8
264.08942	1.6
264.12375	0.4
265.09744	14.1
265.12848	0.6
266.10544	2.0
267.11261	6.1
268.12091	0.9
269.09222	1.4
269.12805	1.0
271.10773	3.3
276.08875	0.8
277.09708	4.6
278.06540	0.5
278.07111	0.5
278.10510	5.5
279.07681	5.0
279.11270	14.6
280.12012	2.6
281.09195	3.1
281.12787	2.3
282.09961	1.3
282.13306	0.5
283.10770	9.7
285.12433	0.7
287.13913	1.1
289.09717	9.3
290.10419	0.9
291.08234	0.7
291.11304	3.6
293.09158	2.7
293.12805	5.7
294.10028	7.7
294.13336	0.6
295.10840	5.3
295.14105	0.9
296.11481	3.4
297.08917	0.6
297.12338	1.6
299.10275	2.1
299.13544	0.7
307.07526	0.5
307.10751	3.6
308.11594	1.5
309.09082	0.7
309.12296	4.0
310.12872	0.8
311.10202	8.0
311.13910	3.2
312.11060	3.8
313.11859	1.3
314.12759	2.6
315.13489	0.5
317.09201	1.1
319.10730	0.5
321.08859	0.8
321.12415	1.3
323.10269	1.5
323.13992	1.5
324.11066	2.3
325.11777	1.5
326.12625	7.3
327.13376	7.5
330.16122	0.5
335.10260	9.9
336.10950	0.6
337.11835	1.2
339.13403	64.1
340.10486	2.6
340.14029	1.3
342.15781	0.4
344.13501	0.4
352.10580	1.3
353.11261	1.6
354.12143	6.8
355.12881	20.1
356.13739	0.9
358.15387	0.6
367.12900	56.2
368.13254	1.4
374.15024	0.7
402.18591	0.6
408.19547	0.4
418.17444	0.5
432.19232	0.7
436.18567	0.6
446.16901	0.7
447.17764	0.7
451.21396	0.8
460.18552	3.0
470.16769	0.7
479.20673	2.3
488.18216	15.0
492.21317	10.6
502.19614	1.0
520.20819	100.0
521.20984	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	520.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52007	0.7
56.85786	0.7
67.05354	1.1
67.05675	0.8
69.85865	0.6
70.15272	1.4
70.15680	2.0
79.05349	0.8
81.06890	1.5
81.07299	1.0
85.02758	1.3
86.05907	1.2
86.06341	0.8
89.69543	0.6
91.05311	1.5
93.06868	1.4
93.07384	0.9
95.08442	1.5
95.09013	0.7
95.63210	0.7
105.06802	2.0
107.08438	1.4
108.07925	1.1
109.09982	0.9
110.09492	0.9
119.08372	1.7
120.04281	0.8
120.07906	1.2
121.09943	1.1
127.03680	0.8
131.04706	0.6
131.08357	1.3
133.09932	1.4
136.07362	1.7
138.08838	2.1
138.09793	0.7
144.07861	1.4
145.10004	0.8
146.05887	1.0
147.04134	2.5
147.11485	1.1
148.07390	0.7
152.06796	2.3
157.09915	0.9
159.11526	1.5
163.03693	0.9
166.08337	2.7
166.09663	1.1
169.09843	0.9
170.08220	1.6
183.09006	1.4
184.09663	2.2
187.08566	1.3
194.08125	3.3
196.09453	2.8
197.10664	0.9
198.07642	2.2
204.06294	1.1
210.25980	0.8
211.08638	4.4
212.09193	3.1
213.10268	8.5
219.17140	0.7
225.09966	2.9
233.06531	0.8
235.08467	1.2
236.09181	1.5
237.09988	2.2
237.18257	0.9
238.10690	1.0
239.08073	1.1
239.11507	1.1
241.09741	6.8
246.07520	0.7
248.09286	3.6
249.10217	3.2
250.10732	0.9
251.07971	1.8
251.11732	1.2
262.10800	0.9
263.11658	1.7
264.08792	0.9
265.09415	2.7
267.11249	1.6
270.09940	1.2
277.05701	1.7
277.09457	1.4
278.10455	1.5
279.11008	2.9
280.11581	3.0
283.10532	1.5
289.09555	1.0
290.16354	1.0
291.10962	0.9
293.08899	1.1
293.12445	1.0
294.09717	0.9
301.11847	1.0
302.12976	5.9
303.13535	1.8
306.09708	13.2
307.10535	1.1
311.09979	1.3
313.12918	0.7
314.12650	3.2
315.13419	1.4
316.11392	0.8
316.14474	7.4
317.15289	3.9
318.15894	0.9
325.11603	1.2
326.12866	1.2
328.14563	4.6
329.15170	2.1
330.12180	7.6
330.15924	4.0
335.10220	0.8
339.10144	0.9
339.13416	9.1
340.14523	1.6
341.12100	0.8
342.12241	1.8
342.16013	1.5
343.13077	2.7
344.13724	5.4
344.17621	1.4
345.14804	5.7
346.15457	1.9
353.11111	1.2
354.12033	1.7
354.15982	1.0
355.12891	3.0
356.13910	3.5
357.14575	1.9
358.11832	1.2
358.15515	5.6
360.17194	0.8
361.14099	0.8
362.14911	1.1
367.12952	4.9
368.13766	1.1
370.11621	1.5
370.15671	1.2
371.12442	0.8
372.13086	3.3
372.17459	1.3
374.14771	1.3
376.16626	10.9
382.15424	0.9
384.13248	4.1
386.14926	5.5
388.16293	2.6
398.14963	1.7
400.12216	0.9
400.16550	2.2
402.14560	2.0
404.16061	17.6
405.16577	2.6
415.15231	1.8
416.15857	3.2
417.17194	2.6
418.17371	1.4
420.19260	8.6
428.16028	2.1
430.14001	2.8
432.15253	21.9
444.15143	7.8
445.16605	5.3
446.17181	1.9
447.17896	21.8
448.18634	0.9
450.96277	0.7
460.18713	20.9
484.31458	1.3
488.18204	100.0
489.18558	3.2
492.21454	6.5
502.33112	1.3
506.19086	1.0
520.20886	55.5
521.21161	1.1
535.48621	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	519.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41360	1.2
53.03936	5.2
55.01870	5.0
55.05515	28.7
57.03439	11.9
57.07069	4.7
61.80976	1.5
65.03932	5.0
67.05510	83.1
69.03444	3.2
69.06717	1.8
69.07075	20.3
69.95521	1.1
70.16663	3.1
70.17048	2.9
71.04990	5.1
71.08641	1.9
79.05063	2.2
79.05499	41.4
81.03422	43.4
81.07063	100.0
82.07352	1.5
83.04985	10.3
83.08626	32.4
85.02911	21.5
85.06528	3.5
85.10189	2.0
90.20596	1.3
91.05480	46.3
93.07049	28.9
95.04976	24.0
95.08617	37.4
97.02891	2.8
97.06531	6.3
97.10194	6.8
98.43601	1.4
99.08109	10.1
103.05482	1.5
105.06388	2.0
105.07041	30.2
107.04945	5.0
107.08604	14.8
109.06516	4.5
109.10170	14.4
111.04403	2.1
111.08096	10.6
113.09641	2.1
117.07037	3.4
119.08586	27.4
121.06505	3.8
121.10153	17.3
122.10524	1.4
123.08053	2.9
123.11720	16.1
125.09652	3.4
129.06996	7.7
131.08586	11.9
133.06459	2.2
133.10132	15.8
134.10425	1.5
135.11707	8.0
137.09598	3.3
137.13274	2.8
142.07793	2.5
143.08635	1.7
145.10156	3.2
145.49229	1.2
146.10500	1.9
147.08102	2.3
147.11685	16.1
149.09633	5.2
149.13286	2.8
151.11180	2.0
153.12666	2.0
155.73523	1.2
157.10147	10.7
159.11691	2.3
161.13277	5.3
163.11211	2.5
163.14926	1.5
165.12790	2.9
169.10129	2.0
173.13425	1.2
175.11211	12.1
175.14920	1.8
178.11209	1.3
184.07309	2.1
193.12253	44.0
211.13312	48.0
217.19524	5.9
235.20628	4.3
236.76862	1.6
267.15967	7.3
285.16949	4.8
299.06271	2.2
309.24323	4.5
409.31119	3.6
426.65778	1.4
427.32074	4.4
429.95657	1.3
445.32776	2.8
501.35727	8.2
519.36780	85.9
520.36969	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	519.3319
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
53.03935	8.6
55.05509	8.3
67.05489	19.1
69.03407	8.4
69.07066	16.3
69.45464	27.8
69.45892	19.0
79.05476	21.8
81.03402	9.9
81.07046	23.4
85.02892	7.2
91.05428	35.9
93.07043	44.0
95.04949	10.6
95.08596	40.1
97.02887	7.8
97.06480	7.2
99.08084	22.2
104.05358	6.4
105.07027	69.9
107.08597	61.4
109.10174	17.9
111.08089	8.3
117.07002	11.4
119.08588	100.0
121.06473	9.3
121.10130	36.9
123.08068	10.9
123.11706	8.4
127.03896	7.7
129.06961	8.3
130.07765	6.3
131.08577	72.9
133.10143	69.6
135.04422	6.9
135.08063	11.5
135.11703	28.4
137.05978	16.5
140.45602	5.4
142.27817	5.9
143.08542	19.6
145.10139	56.0
147.07878	7.9
147.11696	57.5
149.09589	13.3
149.13260	12.2
157.10158	20.8
159.07967	7.1
159.11720	35.2
161.09615	14.8
161.13274	28.5
163.03922	12.8
163.11224	10.5
163.14896	11.5
171.11668	22.0
173.13293	39.6
175.14832	57.6
177.12813	9.4
182.10825	6.3
183.11662	12.5
185.13235	22.3
187.11223	6.8
187.14833	73.2
189.12825	16.3
189.16321	11.1
191.14275	33.4
199.14836	22.5
201.16437	48.9
203.14317	14.1
205.15979	7.3
213.16379	12.6
215.14240	13.1
217.15892	5.6
219.13670	11.1
219.17418	21.7
235.13252	13.5
235.16840	7.5
247.17134	8.7
271.05936	14.4
289.22839	5.8
299.06131	9.7
339.04941	7.4
373.29370	6.9
391.29892	24.0
409.30988	24.5
419.29407	14.0
437.30417	48.7
455.31445	39.2
473.32523	22.8
483.30963	19.0
501.31726	7.1
519.18842	8.8
520.20673	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	519.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.6
57.07067	9.2
67.05508	23.9
69.03418	15.3
69.07061	21.1
71.04995	5.8
71.59621	8.8
79.05495	28.7
81.07069	49.6
83.04977	12.2
83.08616	7.4
85.02911	7.4
85.06549	5.9
87.00819	5.7
91.05463	39.5
93.07053	50.7
95.04971	14.0
95.08627	43.4
97.02877	9.2
97.06525	14.8
99.08073	6.5
104.26955	3.8
105.07037	85.6
107.04975	31.0
107.08589	57.8
109.02880	7.1
109.06534	11.4
109.10170	30.1
111.04442	5.1
111.08078	10.6
115.07560	17.8
117.07013	16.5
119.04939	4.7
119.08595	100.0
121.06496	13.0
121.10170	37.2
123.08086	7.3
123.11716	10.8
125.06026	6.3
125.09650	6.3
127.03899	5.1
127.11156	4.6
128.06163	6.1
129.07004	12.5
131.08572	86.0
133.06534	5.3
133.10133	59.6
135.08038	12.4
135.11688	15.5
136.07552	5.4
137.05980	7.4
137.09612	6.7
137.13287	6.2
141.06996	6.8
142.07747	10.6
143.08554	31.7
145.10135	85.5
147.04395	11.0
147.08044	12.9
147.11708	42.2
149.05963	5.9
149.09631	8.6
149.13234	14.1
151.03905	4.3
155.08534	9.6
155.47340	4.4
156.09418	5.5
157.10127	48.3
158.10872	5.9
159.02878	5.3
159.08046	5.0
159.11707	57.4
161.09662	14.3
161.13274	34.6
163.03946	12.8
163.11229	12.2
163.14832	11.4
167.05617	4.7
169.10136	12.4
171.11699	36.7
173.09662	9.2
173.13275	84.0
175.11197	10.8
175.14839	36.3
177.12756	12.2
177.16394	21.1
182.10922	6.8
183.11684	23.2
184.12346	4.3
185.13257	45.1
187.11169	9.9
187.14845	60.2
189.12828	22.0
189.16408	14.6
191.14330	42.7
197.13260	22.6
199.11195	8.0
199.14861	27.4
201.12791	15.8
201.16414	18.3
203.14290	36.3
205.15872	62.6
209.15373	6.3
211.14854	8.9
213.16432	13.5
215.14354	29.2
215.17955	5.0
217.12265	11.1
217.15843	14.0
219.13908	7.7
219.17445	9.5
221.15366	22.0
223.14844	7.6
231.17458	6.0
233.15414	10.0
235.13200	13.6
239.16409	9.0
243.13742	8.2
245.15326	7.2
253.14352	25.1
261.14883	10.4
263.12637	7.1
271.05954	23.2
279.15933	6.6
281.04584	5.5
379.81424	4.3
386.05807	5.3
401.28882	5.1
407.29480	9.8
414.06879	7.4
419.29343	19.4
435.29041	7.7
437.30463	19.8
442.06625	6.8
447.28949	14.8
453.29926	11.9
455.31509	13.3
465.29950	25.0
471.30981	8.5
473.32278	12.6
483.31055	28.6
501.32007	13.8
519.18579	16.5
519.33191	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	519.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.34595	0.7
55.90514	0.7
56.68689	0.8
65.36731	0.7
67.05485	1.3
69.03412	2.3
69.07048	1.4
69.08721	0.7
71.04994	0.9
71.60306	1.4
77.00674	0.8
79.05504	2.0
81.03430	3.0
81.07063	2.5
85.02908	2.9
85.06545	3.0
86.09702	1.0
91.05461	1.7
93.07038	2.2
95.04963	2.9
95.08614	2.3
97.02888	2.9
97.06529	1.2
103.05481	25.5
105.07034	8.1
107.05007	1.0
107.08591	2.1
109.02865	1.7
109.10152	2.1
111.04429	2.1
114.48028	0.8
117.07059	0.9
119.04970	0.8
119.08608	3.7
121.06543	1.7
121.10135	1.5
123.04480	1.4
123.11736	1.0
127.03945	1.3
131.04939	100.0
131.08582	3.1
132.05670	0.9
132.48837	0.7
133.10123	1.3
135.04451	1.8
135.11711	1.8
137.05984	1.5
137.09715	1.0
139.03955	1.7
145.10133	1.7
147.04459	6.1
149.05994	5.9
149.09616	1.7
159.04436	3.6
159.11703	0.8
160.05217	10.4
163.03952	4.1
167.10783	1.0
173.13342	1.7
175.03934	1.5
175.14832	3.9
177.96858	0.7
181.05040	1.2
191.10730	2.3
201.12814	1.2
209.11772	2.5
211.16879	1.0
219.13905	2.2
227.12788	2.6
238.11885	0.9
247.13367	3.6
275.09262	1.5
293.10245	6.0
299.06271	2.1
315.23398	0.9
321.07666	1.7
446.16986	1.0
487.04269	0.9
501.32355	1.6
504.17102	0.8
519.19922	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	519.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01876	0.7
57.03414	1.6
65.03932	0.7
67.05494	2.1
68.99798	1.1
69.03416	1.6
69.29651	0.8
69.42580	7.0
70.06591	1.0
71.05011	0.9
79.01898	1.7
79.05495	3.0
81.03429	3.6
81.07054	2.9
85.02917	4.0
91.05454	1.8
93.03430	0.8
93.07045	3.3
95.04970	1.6
95.08625	2.5
97.06522	0.9
103.03974	1.3
103.05477	1.2
105.07061	4.2
107.08608	3.1
109.02867	1.0
109.10175	1.5
117.07011	1.2
119.04951	3.4
119.08599	4.7
121.02878	18.1
121.03716	1.6
121.06547	0.9
121.10191	2.1
123.04471	0.9
127.03928	1.6
131.04942	3.0
131.08580	2.5
133.10129	3.9
135.11778	0.9
137.06035	0.8
139.03993	0.8
142.07829	0.8
143.08603	2.1
145.02914	2.2
145.10110	3.7
147.11688	2.5
149.02345	0.9
149.09665	1.2
157.06461	0.9
157.10175	2.8
159.11694	3.9
161.09592	1.0
161.13338	1.2
163.03862	5.1
163.07613	1.2
165.01823	8.3
167.03482	1.1
171.02917	1.5
171.11678	2.1
173.13278	2.8
177.01863	1.9
177.05537	1.1
179.03375	0.8
183.02905	3.2
183.11728	1.3
185.13284	1.9
187.03867	2.0
187.14818	2.1
189.03926	1.1
189.12627	1.1
189.16339	1.1
191.03503	1.1
195.02939	1.3
197.13365	1.2
204.06548	1.2
205.01476	1.2
205.05139	0.9
205.15846	1.1
211.07378	0.9
213.05498	2.9
213.16380	1.0
215.03467	1.2
215.14357	2.1
217.04845	1.2
217.15820	0.9
227.07036	1.4
243.06554	1.7
255.06548	5.0
256.07339	7.4
259.06204	1.3
267.06552	2.0
268.07458	1.0
271.06027	7.2
279.15878	1.2
283.06024	62.6
284.06796	30.7
285.07632	2.2
295.06021	34.1
297.07574	15.5
297.10806	1.3
299.06387	1.0
305.08200	1.5
307.06113	2.5
308.06845	2.5
309.07468	4.7
311.05518	3.6
313.07071	100.0
314.07477	1.9
321.07635	1.0
323.05634	1.8
323.09225	8.4
325.06967	3.7
327.08691	1.1
333.07724	2.7
337.07068	19.3
343.08078	5.5
351.08820	3.1
355.08182	1.1
361.07059	4.3
367.08075	2.0
379.08142	9.9
397.09091	5.5
415.10260	3.0
433.11398	3.4
439.10257	10.4
457.11221	7.2
465.08005	1.0
465.30243	1.2
475.12439	3.5
480.36221	1.1
483.09207	8.5
483.30826	1.6
501.10358	14.8
501.32040	1.6
519.11401	26.4
519.18536	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	519.1138
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
65.03939	0.1
67.01864	0.5
68.99756	0.4
69.03424	0.1
69.58061	0.5
75.82919	0.1
77.61279	0.1
79.05489	0.1
81.03402	0.2
81.07046	0.2
85.02885	0.2
87.00830	0.1
91.05473	0.4
95.08591	0.1
98.20766	0.1
105.07018	0.2
107.08548	0.1
108.83420	0.1
109.02863	0.1
113.05994	0.1
119.04948	1.8
119.08595	0.1
121.02834	0.5
121.10204	0.1
127.03892	0.2
129.01849	0.1
130.24132	0.1
131.04880	0.1
133.10167	0.1
135.11658	0.1
145.02815	0.6
149.02333	0.2
151.03947	0.1
153.01831	4.8
159.11693	0.1
163.03937	0.4
171.02916	0.6
187.03889	0.1
191.14253	0.1
197.05933	0.1
203.07039	0.2
225.05371	0.3
229.04939	0.2
243.06419	0.4
247.06004	0.1
271.06012	100.0
272.06323	1.6
318.02939	0.1
339.08646	0.1
366.30853	0.1
433.11285	1.2
473.32419	0.1
486.87204	0.1
501.10013	0.1
519.11462	2.0
519.19055	0.1
520.11707	0.1
523.17822	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	519.1137
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
53.03916	0.6
55.01867	0.8
55.05473	0.6
56.26207	0.5
56.99912	0.5
57.03402	0.8
65.35181	0.5
66.48608	0.5
67.05488	1.2
68.99761	0.8
69.03402	1.6
69.07054	0.8
70.06558	1.6
71.58920	0.8
73.02905	0.6
79.01819	1.7
79.05476	1.1
81.03394	1.8
81.07054	1.2
83.04969	0.8
84.08099	0.7
85.02898	4.3
87.00821	1.3
91.05452	1.9
93.03377	0.7
93.06976	1.8
95.04938	1.4
95.08570	1.8
103.03923	2.3
105.07038	2.6
107.04980	0.7
107.08566	1.5
109.02852	1.7
109.10139	1.2
110.72562	0.4
111.04363	0.5
117.06954	1.1
119.04929	3.4
119.08610	2.9
120.05700	0.8
121.02874	16.3
121.10116	1.2
123.04418	0.8
123.08026	0.6
127.03878	1.2
129.01746	0.8
131.04901	1.9
131.08524	1.6
133.10103	2.4
135.04424	1.1
135.11685	0.7
135.87531	0.5
137.02304	0.7
137.05977	0.7
139.03859	0.7
141.01793	1.2
142.07626	0.6
143.08536	1.0
145.02859	3.4
145.10080	1.8
147.11673	2.0
149.02333	1.3
153.01860	0.9
157.10115	1.3
159.11638	2.2
161.05894	0.6
161.09634	0.7
161.13277	1.6
163.03873	4.8
163.07520	0.8
165.01875	7.9
165.06917	0.5
167.03413	0.9
167.05580	0.7
169.07617	0.7
169.10159	0.5
171.02895	1.0
171.11636	0.9
173.06053	0.5
173.13257	2.1
175.14809	0.7
177.01826	0.9
177.05470	0.7
179.03282	0.7
183.02892	3.0
183.11667	0.8
185.13229	0.6
187.03865	1.0
187.14824	1.6
189.01833	0.6
189.03922	0.6
190.70216	0.6
191.03412	1.0
191.14220	0.8
195.02901	2.0
195.05402	0.6
197.07141	0.6
197.13216	1.0
205.01376	0.9
211.07597	1.3
213.05460	2.7
215.03508	1.0
215.14302	1.2
217.04892	1.2
219.03001	0.7
221.15344	0.6
227.07051	1.6
228.07912	0.9
230.23715	0.6
237.05557	0.6
241.04962	1.0
243.02939	1.2
243.06549	1.2
255.06519	4.9
256.07275	6.7
259.06125	1.1
261.03873	1.3
267.06613	1.7
268.07309	0.7
270.05173	0.8
271.06036	6.4
279.06595	1.4
279.15979	0.9
283.06036	57.8
284.06787	27.4
285.07700	2.5
285.10342	0.5
295.06030	35.8
296.06372	1.0
297.04315	0.6
297.07568	16.5
298.04614	0.7
298.07739	0.6
299.05899	1.7
305.08145	1.4
307.06012	2.2
308.06744	2.0
309.07541	6.2
311.05521	3.2
313.07068	100.0
314.07379	2.2
321.07657	0.9
323.05551	1.4
323.09137	7.9
325.07056	4.1
327.08755	1.3
333.07538	2.0
337.07068	16.6
341.06573	0.7
343.08209	5.1
349.07095	0.9
351.08612	3.7
355.08139	1.3
361.06989	4.9
367.08109	2.1
379.08136	10.0
397.09335	5.1
415.10461	3.7
433.11331	2.0
439.10239	10.5
449.64920	0.5
457.11288	7.4
459.84671	0.5
465.08191	1.1
465.29904	0.8
475.12271	2.8
483.09146	6.8
483.31100	0.8
501.10315	11.7
519.11340	27.1
519.32135	0.7
520.11169	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	518.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	18.3
53.07205	4.5
55.01869	13.6
55.05505	9.5
57.03447	5.0
61.02929	8.2
67.05504	14.6
68.18674	4.3
68.99787	5.9
69.03434	60.1
69.07056	15.3
69.64195	15.7
69.64603	13.1
71.05004	7.3
73.02917	7.9
77.24281	4.7
79.05490	15.5
81.03426	57.4
81.07058	33.9
85.02909	100.0
87.00842	49.6
91.05473	28.1
93.07044	55.3
95.04972	20.1
95.08623	24.9
97.02905	66.0
97.06527	7.0
98.20756	9.1
99.04460	32.3
105.01874	41.3
105.07032	47.4
107.08592	84.3
109.02883	54.2
109.06498	12.6
109.10168	33.2
117.01904	10.6
117.07051	6.0
119.08585	33.5
121.06536	8.0
121.10132	20.5
125.06015	6.9
127.03928	76.1
129.01842	8.4
129.07066	5.3
130.06560	7.8
131.08530	14.3
133.10144	52.8
135.08057	6.9
135.11699	58.9
137.05939	6.8
139.07596	5.3
143.08549	6.9
145.04939	38.6
145.10170	11.2
147.11725	28.9
149.13228	6.9
155.08559	5.4
157.10146	8.0
158.07520	4.9
159.02902	24.3
159.08134	5.1
159.11722	15.6
161.09624	21.3
161.13246	6.9
163.03918	15.4
169.10069	8.1
171.11749	7.2
173.13277	9.0
175.05804	5.0
175.11151	7.0
179.10693	14.3
189.16417	54.8
201.16414	10.6
203.14243	5.1
217.15907	21.2
229.16098	6.8
231.05014	12.3
235.16919	43.1
259.16812	5.2
305.07855	5.2
309.07230	5.6
325.17715	7.0
518.18732	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03708	0.2
55.05508	0.8
56.05041	1.5
58.06573	1.5
59.07380	0.2
60.08170	17.1
67.05511	2.7
69.07073	0.4
70.06573	0.3
70.81527	0.3
70.81869	0.5
71.07378	7.4
79.05502	2.1
81.07064	2.0
86.09711	54.9
87.09991	0.2
91.05497	0.9
93.07055	2.3
95.08614	1.7
97.06525	0.2
98.98470	4.8
104.10751	96.9
105.07039	0.7
105.11065	0.2
107.08614	0.7
109.10171	0.5
116.65595	0.2
119.08620	0.3
121.10152	0.4
124.25734	0.3
125.00013	31.1
133.10133	0.3
153.09331	0.2
163.01466	0.3
184.07353	100.0
185.07686	0.6
191.18286	0.2
258.11026	1.7
317.12366	0.2
335.25894	0.5
441.23605	0.3
500.31436	7.2
505.14081	0.3
518.32452	23.9
519.32611	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	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	14.2
54.93617	4.3
55.01878	13.2
55.05517	6.6
57.03447	7.2
61.02938	6.3
67.05511	11.9
67.66902	4.5
69.03436	40.2
69.07079	12.1
71.05001	7.5
73.02928	14.8
79.05519	14.9
81.03425	44.1
81.07063	18.1
85.02913	100.0
87.00851	43.6
91.05511	14.6
93.07053	51.8
95.04992	14.6
95.08581	23.7
97.02907	60.8
97.06551	7.5
98.20683	11.5
99.04479	17.0
105.01875	26.0
105.07025	37.1
107.08600	66.7
107.09284	7.5
109.02898	41.2
109.06570	13.3
109.10182	26.5
110.78441	5.4
113.03277	4.7
117.01910	7.4
119.08606	30.7
121.10164	19.5
125.06006	7.6
127.03925	68.2
129.01852	5.9
131.08578	7.8
133.10136	33.7
135.04434	6.4
135.11717	57.5
145.04942	33.5
145.10196	13.1
147.11751	22.1
151.07603	5.9
157.10162	6.2
159.02913	26.1
159.11757	11.0
161.09636	11.6
165.12813	8.1
169.10190	5.7
175.11162	7.4
175.14859	11.3
179.10672	10.6
187.14911	5.9
189.16428	45.3
211.14734	5.1
217.15912	25.3
231.05046	14.0
231.37338	5.8
235.16957	36.0
241.16055	5.4
279.17154	6.5
325.18164	12.8
343.19281	5.6
465.21381	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	517.3895
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03946	3.0
55.01867	2.4
55.05519	17.2
56.14480	1.4
56.35381	1.3
57.03444	8.6
57.07085	4.0
65.03955	3.1
67.05511	38.8
69.07079	18.4
71.05012	2.1
79.05502	29.6
81.07066	45.9
83.05011	2.1
83.08619	9.2
85.06560	3.0
91.05494	24.2
93.07059	38.7
93.07628	2.8
95.05000	2.3
95.08620	32.5
96.94232	1.4
97.06599	3.4
97.10207	4.9
105.04531	1.5
105.07041	31.1
107.08607	19.9
109.06584	2.4
109.10168	15.4
111.08096	2.0
117.07050	10.3
119.08596	28.3
121.10169	20.5
123.08127	1.8
123.11748	5.1
129.07013	5.6
131.08592	20.6
133.10150	18.3
135.08102	2.1
135.11725	12.7
137.09731	1.5
137.13306	1.6
143.08594	7.0
145.10139	17.4
147.11722	15.3
149.09645	2.0
149.13286	7.7
150.53401	1.4
151.11166	1.8
155.08655	2.6
157.10138	7.0
159.11729	15.7
161.13248	8.4
163.14879	3.2
171.11728	7.0
172.21097	1.5
173.13274	9.6
175.14940	4.2
179.14308	1.9
183.11748	2.6
185.13341	5.7
187.14868	7.0
189.16423	2.5
192.33957	1.5
197.13400	3.2
199.13268	1.7
199.14943	3.7
201.16490	2.3
213.16533	3.1
215.17987	1.6
219.17593	1.5
231.17474	1.6
241.17958	2.6
245.19026	2.5
257.18985	1.9
259.20676	4.7
271.20486	1.8
273.22205	2.1
277.21872	1.7
287.23871	2.7
299.23734	1.6
309.22348	1.6
313.25366	2.6
327.26968	2.4
352.26096	1.4
405.30453	2.4
407.33188	4.6
425.34515	12.4
443.35443	6.0
446.96194	1.6
460.98557	1.4
499.38046	22.0
517.39032	100.0
518.39551	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	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03935	1.9
53.14034	0.9
54.77203	1.0
55.01870	1.9
55.05513	13.6
57.03451	5.4
57.07065	3.3
60.39112	1.1
65.03924	1.8
67.05512	36.5
69.07072	15.4
69.24107	2.4
69.24506	9.4
71.05006	1.9
71.08646	1.9
73.04778	1.0
76.79197	0.9
77.00610	2.6
79.05499	25.4
81.07065	32.8
83.04972	2.1
83.08629	6.9
85.06536	1.8
91.05465	19.3
93.07051	30.5
95.01651	12.5
95.04987	3.6
95.08613	27.6
97.06533	2.8
97.10168	3.1
105.07040	25.9
107.04957	1.4
107.08604	23.4
109.06534	2.0
109.10162	14.5
111.08092	2.2
117.07021	8.2
118.03214	2.7
119.08590	24.0
121.10146	18.3
123.11715	5.3
125.09663	1.8
129.06999	4.6
131.08578	15.3
133.10153	16.3
135.08083	1.2
135.11688	11.1
137.09689	1.7
141.07066	1.2
143.08539	6.9
145.06841	9.7
145.10139	16.3
147.04764	4.2
147.11717	11.7
149.13300	6.2
155.08580	2.9
157.10158	6.8
159.11707	11.5
161.09966	2.2
161.13226	6.4
163.11180	1.4
163.14882	3.1
167.00899	1.0
169.10126	1.7
171.11691	5.6
173.13275	9.2
175.14882	2.0
181.10147	2.0
183.11816	2.4
185.13260	5.0
187.14873	3.9
189.09381	2.0
189.16386	2.0
195.11739	1.5
196.68808	1.2
197.13310	2.4
199.14912	3.8
200.42212	1.1
201.16400	2.7
201.58975	1.0
203.14326	1.1
213.16446	2.3
215.18198	1.2
223.14919	1.2
227.18150	1.3
233.12054	2.2
241.18086	3.1
243.21350	1.1
245.19084	2.1
251.17734	1.4
257.26196	1.3
259.20654	3.4
261.22159	1.1
271.20773	1.1
273.22247	1.5
285.22089	1.9
299.23804	2.5
313.25354	2.5
321.17389	3.3
327.26880	1.7
355.26456	1.3
361.27664	1.1
377.27225	1.1
405.30545	1.7
407.33502	4.8
419.31775	1.3
425.34186	15.1
443.35275	8.1
459.34778	2.1
461.36212	1.2
475.34598	1.0
499.37982	17.0
517.38971	100.0
518.39532	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	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.89978	1.2
53.03950	1.9
53.89527	1.3
55.01856	1.8
55.05516	19.6
57.03444	6.1
57.07071	2.8
65.03941	2.6
67.05511	42.3
69.07076	20.1
69.56482	5.0
69.56883	3.6
71.04997	1.9
71.08600	1.3
74.68776	1.2
79.05498	29.9
80.63824	1.2
81.03439	6.1
81.07066	47.0
83.04987	3.3
83.08642	10.9
85.06538	4.5
91.04938	1.0
91.05488	28.4
93.07057	36.9
95.04983	4.3
95.08614	43.0
96.08978	1.4
97.06540	4.8
97.10183	5.1
98.20839	1.9
99.08110	2.1
105.07044	33.8
107.05003	1.6
107.07955	2.4
107.08607	26.2
109.06525	2.4
109.10166	20.2
110.67087	1.4
111.08110	2.3
111.11720	2.0
113.00018	2.3
115.05451	1.9
117.07050	10.9
119.08592	30.8
121.06557	2.2
121.10173	19.3
123.08121	2.3
123.11713	8.0
125.09644	2.0
129.07013	5.8
131.08583	19.8
133.10146	19.9
135.08061	3.7
135.11705	14.9
137.09660	2.4
139.11156	1.6
141.07030	2.0
142.07794	1.7
142.82690	1.5
143.07022	2.3
143.08568	8.2
145.10127	20.6
146.10587	1.4
147.08034	1.9
147.11700	18.6
149.13284	8.6
155.08577	2.2
157.10146	6.9
159.11726	16.7
161.09578	1.8
161.13278	8.7
163.11134	1.4
163.14844	4.0
165.09119	1.3
167.08511	1.4
169.10143	3.1
171.11696	8.9
173.13278	12.8
175.14870	3.2
177.16391	1.9
179.14450	1.4
181.10228	2.7
183.11726	5.1
185.13322	4.8
187.14819	6.2
189.16409	2.7
197.13206	2.2
199.14847	6.3
200.65410	1.2
201.16458	3.7
203.17995	1.6
211.14914	1.9
213.16472	3.1
225.16443	1.6
227.17970	1.8
239.12828	1.9
241.18044	3.8
245.18964	1.6
247.20692	1.3
259.20648	4.3
261.22281	2.5
271.20612	2.4
273.22235	2.4
277.21820	2.1
285.22220	2.7
287.23730	2.7
289.21594	1.9
299.23672	2.5
301.25262	1.6
313.25266	1.9
317.24875	1.8
331.26358	3.5
333.24435	1.9
335.25809	2.2
390.56049	1.3
391.28632	1.7
397.30478	1.3
405.30148	4.2
407.28531	1.9
407.33194	4.3
419.31778	1.9
425.34396	16.9
443.35574	7.1
459.35110	1.5
461.36121	2.3
499.38632	16.9
517.39276	100.0
518.39069	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	517.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01874	4.3
55.05515	21.7
57.03436	6.3
57.07069	3.0
65.03945	4.2
67.05510	60.1
67.45479	1.5
68.60947	1.6
68.74446	1.4
69.07078	24.6
69.60128	9.4
71.04980	3.9
79.05497	46.7
81.03418	9.6
81.07064	61.7
83.05002	3.2
83.08633	12.0
85.02921	3.2
85.06533	3.6
91.04903	2.1
91.05486	49.2
93.07053	58.9
95.04983	4.4
95.08612	53.7
97.06543	6.5
97.10184	6.0
98.20769	3.3
99.08109	3.8
99.78988	1.6
101.64410	1.7
105.07041	38.9
107.04994	1.9
107.08604	35.0
107.09294	2.5
109.06554	4.9
109.10159	25.6
111.08106	2.7
113.00095	1.4
117.07015	16.3
119.08585	48.6
121.06517	1.6
121.10149	25.1
123.08044	3.0
123.11707	5.4
125.09701	3.1
129.07019	8.7
131.08583	23.7
133.10144	26.4
135.08005	1.7
135.11693	15.0
137.09627	11.0
141.06984	3.2
142.07745	1.7
143.07011	2.0
143.08554	10.1
145.10136	21.1
147.08069	1.9
147.11708	20.8
149.09627	2.5
149.13290	9.6
151.15034	1.5
155.08580	3.2
157.10172	8.0
159.11713	16.9
160.78606	1.5
161.13300	10.2
163.11203	3.0
163.14822	4.3
165.09123	6.6
169.10135	4.5
171.11714	9.1
173.13272	13.5
175.14853	6.8
183.10188	5.3
183.11734	3.8
185.13290	6.4
187.14822	7.8
189.16418	3.7
195.11742	2.2
197.13226	3.8
199.09627	1.7
199.14874	6.7
201.16452	2.7
205.15883	1.9
211.14911	2.1
213.16479	3.5
215.17989	2.0
217.15883	1.8
225.16422	2.4
227.18071	2.6
243.21088	1.9
245.19200	2.7
259.20685	4.1
261.22198	3.8
285.22073	2.4
287.23831	2.0
299.23724	3.0
301.25302	3.5
315.23093	2.2
331.26297	1.8
333.24387	3.5
335.25876	4.5
361.26978	2.0
389.27423	1.8
405.30017	3.0
407.28763	2.8
407.33212	4.0
419.31552	2.8
425.34476	14.7
443.35559	9.1
499.37665	17.2
517.39557	100.0
518.39063	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	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
55.01859	5.5
55.05510	20.5
57.02105	1.6
57.03428	7.0
57.07061	4.5
65.03928	6.7
65.51570	1.6
66.29584	1.4
67.05506	81.2
67.87399	1.4
69.03408	6.0
69.07071	28.5
69.33826	11.4
69.34232	2.3
71.04977	5.3
73.06544	1.7
79.05495	65.3
81.03420	27.8
81.07059	72.8
83.04973	3.9
83.08613	12.9
85.02910	11.2
85.06535	2.7
91.05485	100.0
93.07049	76.2
94.32515	1.4
95.04974	14.1
95.08609	71.8
97.06554	11.4
97.10164	3.5
97.25877	1.5
98.20699	2.6
99.08067	2.8
103.05480	2.3
105.04510	2.4
105.07036	34.4
107.04964	3.2
107.08600	36.3
109.06500	4.9
109.10154	29.4
111.08109	2.6
113.00045	2.4
117.07030	16.7
117.94834	1.7
119.08586	95.5
120.80264	1.4
121.06496	4.9
121.10150	27.8
123.08019	4.3
123.11717	5.9
125.09604	2.4
128.06216	2.2
129.06993	7.5
131.08582	22.7
133.06401	2.5
133.10126	26.0
135.08064	2.9
135.11679	14.2
137.09621	33.0
137.13181	3.2
141.07008	3.9
143.07050	5.3
143.08583	9.3
144.09314	1.9
145.10144	19.1
147.08043	6.1
147.11668	14.5
149.09602	2.9
149.13211	6.1
153.12738	1.8
155.08563	4.8
157.10170	7.7
159.11716	14.6
161.13260	9.5
163.14809	4.5
165.09114	25.2
165.12769	2.1
169.10107	6.0
171.11667	7.8
173.13269	9.7
175.14841	6.0
181.10114	3.2
183.10149	11.1
183.11693	4.1
185.13245	5.0
187.14822	6.8
189.12744	2.7
189.16438	2.6
193.12169	2.7
195.11655	3.3
197.13315	2.6
199.09630	5.3
199.14816	2.7
201.16376	3.8
211.14915	2.8
213.16389	2.2
234.15033	1.7
239.12715	6.6
241.19698	1.9
243.20908	1.8
245.22699	6.2
261.22156	8.8
263.23718	4.9
285.22232	3.4
301.25174	4.7
303.19363	1.5
303.23199	4.2
315.23071	1.6
317.24704	3.4
327.23114	3.6
331.26636	2.0
335.25864	10.1
337.27301	3.3
342.91504	1.5
359.26144	2.0
389.28293	2.7
397.43314	1.6
401.26862	2.2
407.29401	12.1
425.30325	11.5
443.31747	2.2
445.31085	2.1
451.02301	1.9
481.33072	4.2
499.34177	31.6
506.62875	1.7
517.35144	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.5
55.01859	8.6
55.05513	34.3
56.22516	2.2
57.03425	4.5
57.07069	4.3
59.04984	2.6
65.02592	2.0
65.03918	3.2
67.05511	75.1
69.03387	1.9
69.07078	18.0
69.76310	13.0
71.04978	2.5
75.09533	2.1
79.05073	3.4
79.05499	46.4
81.03419	11.7
81.07063	85.3
82.07333	2.6
83.01342	4.4
83.05005	11.8
83.08624	20.5
85.02910	2.4
85.06516	3.7
91.05489	43.1
93.07047	44.3
95.04947	9.6
95.08614	43.9
97.06516	6.2
97.10175	11.9
99.04508	2.7
99.08086	5.3
105.07040	29.9
107.04935	8.1
107.07993	2.3
107.08625	21.6
109.06497	9.4
109.10177	18.1
111.08080	4.9
113.00002	9.2
117.07058	11.8
119.07758	3.2
119.08579	27.1
121.06470	4.7
121.10135	16.6
123.08064	11.6
123.11700	8.9
125.09610	10.8
129.06960	8.5
131.08585	14.9
133.10136	22.7
135.08025	5.6
135.11678	18.0
137.09598	4.1
137.13235	4.1
141.06926	2.9
143.08534	5.5
145.10149	25.3
147.11674	12.1
149.13237	4.6
151.11186	2.4
153.12740	4.6
155.08598	2.5
157.10164	5.0
159.11671	6.3
161.09564	2.8
161.13249	7.6
163.11182	18.3
169.10162	3.3
171.11682	5.1
173.09616	3.9
175.11191	2.4
175.14789	5.0
177.12669	3.1
179.14215	5.9
181.10014	2.3
181.12192	3.4
183.11635	3.2
185.13289	3.5
187.14857	3.6
189.11244	5.3
189.16287	3.3
197.13158	2.8
209.11575	5.1
217.19470	5.9
227.12715	9.2
230.47049	2.3
273.22037	6.2
283.15363	5.2
331.26205	4.4
405.29950	6.8
407.29321	6.3
425.30264	13.1
443.31238	5.6
499.33789	13.6
517.35077	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	517.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.6
55.01871	2.9
55.05517	24.7
56.74057	2.7
57.03434	7.7
57.07085	11.9
61.02918	6.0
65.03934	4.2
66.43302	2.5
67.05511	92.4
69.03422	5.4
69.07076	31.8
71.04998	5.0
71.08636	7.2
71.21544	5.2
77.60238	2.2
79.05499	39.2
81.03442	5.5
81.06576	5.1
81.07063	100.0
83.04977	3.7
83.08632	28.2
85.02911	4.0
85.06546	4.8
85.10209	3.3
91.03966	3.8
91.05489	26.6
93.07052	34.2
95.04981	9.0
95.08611	74.4
97.02923	4.2
97.06547	10.0
97.10137	13.5
99.04440	3.3
99.08108	4.5
105.07038	24.9
107.08608	28.5
109.06543	5.1
109.10159	38.3
111.08109	7.9
111.11710	4.6
113.00032	6.5
117.07038	8.4
119.08598	23.6
121.06510	2.7
121.10153	28.3
123.08081	3.6
123.11720	21.4
125.09632	5.8
131.08571	13.4
133.10146	20.7
135.08069	2.9
135.11720	15.1
137.13268	6.8
145.10132	9.1
147.11711	15.7
149.09602	3.3
149.13271	13.1
151.14827	5.7
155.14330	5.0
157.10104	2.9
159.08167	2.7
159.11763	8.5
161.13245	18.6
163.14879	8.8
165.16429	7.8
171.11693	3.7
173.13385	2.8
175.14832	12.7
177.12726	2.9
179.18001	5.3
189.16370	5.0
215.17946	3.5
219.30804	2.5
245.22673	43.1
259.20627	2.8
263.23703	45.5
273.22250	3.2
275.13852	2.9
275.20129	2.8
307.22879	2.7
311.98654	2.6
337.27390	42.4
405.30078	3.8
405.77808	2.8
444.13022	2.6
499.33624	11.5
517.35101	28.7
521.67865	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	517.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05530	0.7
60.24946	0.8
67.05476	0.7
69.03427	2.0
70.87714	0.8
70.88071	1.9
79.05491	1.7
81.03446	4.5
81.07078	1.8
85.02891	2.3
87.00829	1.0
91.05493	10.2
93.07047	2.0
95.08614	1.4
97.02900	5.9
99.04465	1.2
105.01891	1.0
105.07033	4.8
107.08574	2.3
109.02890	6.9
109.10165	1.3
119.04955	22.9
119.08610	4.3
121.06480	1.5
121.10162	0.8
123.08145	0.9
127.03931	6.7
130.06532	0.9
131.04932	1.4
131.08612	2.4
132.23045	1.0
133.10152	2.9
135.08080	1.0
137.09654	1.5
145.10141	2.9
147.04427	100.0
147.11696	2.1
149.13286	1.5
150.55759	0.9
157.10181	1.2
159.11705	2.4
161.13266	2.4
163.11232	1.2
163.14822	1.6
165.05478	5.0
171.11713	1.2
173.13326	2.0
175.14908	0.8
176.11659	0.8
185.13286	2.4
187.14861	2.8
189.16481	0.8
191.14354	3.6
197.45856	0.8
211.54135	0.9
278.58530	0.8
291.08572	1.8
309.09598	0.8
395.09729	10.0
435.28870	1.5
453.30139	4.0
499.30933	1.5
517.31232	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	517.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47868	1.2
56.96566	13.5
57.03448	1.9
58.10412	1.3
61.02924	4.5
67.68456	1.2
68.27062	1.1
69.03431	9.8
70.98137	2.4
71.58784	2.6
73.02910	5.9
78.33744	1.1
81.03387	1.3
84.96062	1.7
85.02908	15.8
86.03214	1.1
88.09825	1.2
88.99165	3.1
91.03979	2.0
92.07895	1.1
95.78944	1.2
97.02909	8.8
98.97591	42.0
101.00887	1.8
101.02372	1.4
110.97561	10.6
112.42773	1.2
112.89619	7.3
112.99171	1.9
114.89345	6.2
116.56633	1.3
116.98629	22.9
119.01905	5.3
119.39378	1.3
123.94713	1.2
127.02495	2.3
127.03922	8.8
128.98636	10.6
131.00168	1.7
134.99660	5.6
136.94044	1.6
138.03467	1.8
143.00200	1.3
143.01929	4.4
145.01666	2.0
145.03481	3.8
145.04964	6.8
146.99638	8.2
149.01216	1.7
153.04039	2.3
155.01878	6.3
156.01944	1.9
156.98064	18.0
157.03383	1.7
158.99660	16.1
161.02893	4.0
162.03244	1.4
165.00684	2.7
170.99637	8.4
173.01353	3.1
173.03000	8.8
174.03134	2.4
174.89577	1.7
174.99170	88.3
175.02673	2.6
175.05229	1.3
177.00729	15.3
183.05040	1.7
183.53740	1.4
183.55168	2.4
185.02956	4.6
186.03151	2.1
189.00775	10.8
191.02386	6.3
191.03845	1.8
193.00232	100.0
198.00813	3.0
201.00642	1.8
203.04042	3.9
207.01750	4.3
209.03326	1.3
211.01295	6.6
217.00214	66.1
217.01965	6.1
219.01765	10.5
221.05096	1.6
229.00246	3.7
231.02020	1.6
234.06680	3.5
234.56813	2.0
235.01245	39.2
235.03510	2.0
235.06438	3.2
237.02782	6.2
243.36040	1.4
245.05113	7.5
247.01236	27.2
247.05038	3.1
249.02928	4.0
253.02301	2.3
255.03807	2.3
255.07074	1.7
256.07404	2.1
258.02802	2.9
258.90518	1.7
261.02805	3.4
263.06244	3.5
264.07642	9.1
264.57767	15.6
265.02301	9.4
265.07803	10.1
277.02237	16.1
278.42081	1.3
279.03964	15.9
281.07111	2.5
291.03638	1.4
295.03384	1.8
307.03360	1.9
309.04852	3.3
337.04382	89.3
345.60486	1.4
355.05472	3.6
362.09570	1.6
365.09830	2.0
381.08215	1.9
407.10202	2.0
408.10596	2.4
419.03711	1.6
517.10583	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	516.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52851	2.2
55.01847	2.6
59.20812	2.1
61.02916	5.1
66.31888	2.1
67.05490	4.7
69.03435	11.0
70.06582	6.8
71.10339	2.9
71.10675	3.3
73.38718	2.6
75.20004	2.1
81.03400	2.5
81.07033	3.8
85.02909	11.9
87.04459	3.2
94.06559	8.3
97.02892	8.8
103.05536	2.2
106.06576	3.6
108.08121	97.9
118.06550	5.4
122.06013	15.4
123.06819	7.8
124.07596	16.3
127.03914	3.6
130.06535	82.7
132.08092	8.2
134.06035	21.2
135.09140	2.2
136.07587	45.8
138.05518	2.4
140.07021	2.3
140.53369	2.2
144.08084	3.5
146.06027	10.0
147.04527	2.4
149.07130	5.6
150.05518	100.0
152.07074	93.4
154.08588	3.5
157.07658	8.6
158.08377	7.9
159.09201	21.4
161.07137	15.0
163.08670	81.5
164.07068	2.7
169.07629	8.7
175.08661	6.5
180.08118	5.0
181.09741	9.7
188.07074	2.5
204.08162	4.9
206.08282	5.2
207.07668	26.1
215.08311	3.5
216.23985	2.5
219.07597	3.5
220.09978	4.3
221.10770	7.7
225.08636	14.5
232.09967	5.5
245.10875	2.8
247.12514	5.6
248.09674	5.6
249.10255	55.8
250.10910	3.9
251.11871	5.2
260.09537	5.5
261.10263	5.8
262.11044	4.2
263.11816	41.5
264.09152	2.7
265.09717	5.2
267.11340	10.4
274.11035	3.4
275.11798	76.5
276.12305	3.9
279.11331	4.7
280.12164	5.0
281.12961	27.5
292.14465	58.8
293.12781	20.7
302.51416	2.2
302.95917	2.3
310.15497	46.9
314.12335	16.4
316.14142	3.1
343.14969	13.1
354.14505	7.5
387.14023	48.8
399.14130	3.0
429.16525	12.9
441.16748	2.8
442.17532	3.6
443.18173	81.6
455.18176	19.1
472.20795	84.4
516.19800	94.6
516.27582	4.7
517.20404	2.6
523.31158	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	515.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.4
55.01872	3.1
55.05522	15.3
55.46345	1.6
57.03435	5.0
57.07077	3.1
57.19759	1.7
60.25391	1.4
64.33297	1.6
65.03934	3.4
67.05166	3.3
67.05512	54.2
69.07074	15.4
70.99445	2.1
70.99789	3.9
71.01348	2.0
71.04989	4.6
79.05498	49.0
81.03432	3.5
81.07070	42.4
83.05003	8.6
83.08613	4.6
85.06525	2.5
88.42667	1.5
88.65988	1.5
91.05489	28.2
93.07054	58.3
95.04990	6.0
95.08612	25.0
97.06554	6.1
97.10177	8.2
99.08117	2.2
105.07035	22.1
106.57610	1.6
107.08602	34.4
107.09286	2.6
109.10149	10.9
114.05097	1.8
117.07024	11.3
119.08585	17.7
121.10156	18.9
123.11724	3.1
125.09606	1.7
129.06999	3.1
131.08574	13.7
133.10138	10.3
134.64296	1.6
135.11711	39.7
137.09689	1.8
143.08601	5.7
145.10101	14.0
147.11723	6.7
149.13283	4.3
157.10193	5.4
159.11760	10.1
161.13327	3.4
163.11218	4.0
169.10197	1.9
170.34946	1.6
171.11746	3.9
173.13286	8.4
175.14877	2.2
181.12302	6.0
183.11731	2.4
186.35463	1.8
187.14836	3.5
197.13298	1.9
203.07077	2.6
261.22214	6.1
285.22079	1.6
423.32657	5.9
441.33478	2.6
497.36459	2.6
515.37384	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01876	3.1
55.05511	18.6
57.03445	4.8
57.07074	3.8
63.75410	1.4
65.03963	1.9
67.05507	53.9
69.07074	13.5
71.01375	2.6
71.05009	6.5
71.59667	2.0
76.72443	1.7
79.05496	51.4
81.03428	3.2
81.07059	41.8
81.07519	3.4
83.04974	7.8
83.08646	6.5
85.06567	2.3
91.05480	31.4
91.56057	1.9
93.07050	56.6
93.07625	3.1
95.05009	5.8
95.08604	29.3
97.06535	8.6
97.10195	7.2
100.15025	1.6
105.07038	21.3
107.04994	1.6
107.08596	32.1
109.06546	2.0
109.10173	14.0
111.08115	2.4
117.07020	10.3
119.08577	17.4
121.10152	16.1
123.11742	3.4
125.09676	3.7
129.07039	4.7
131.08586	15.0
133.10135	12.1
135.11694	34.2
143.08601	6.8
145.10135	18.1
147.11732	7.1
149.09586	2.0
149.13222	3.4
153.12798	3.2
155.08565	3.9
157.10220	7.5
159.11755	8.8
161.13281	3.9
163.11203	2.7
163.15018	2.3
169.10271	5.1
171.11742	6.9
173.13277	10.2
177.39037	1.8
181.10204	1.9
181.12321	6.0
183.11766	3.4
185.13287	4.8
197.13367	2.1
199.15007	2.5
213.16429	2.1
243.21295	1.8
261.22290	6.7
265.99274	1.8
299.23706	2.0
362.52994	1.7
423.32889	8.4
441.33936	2.7
497.36804	3.8
515.37561	100.0
516.38483	2.3
532.24866	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	515.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
53.37848	1.0
53.59172	1.0
55.01867	4.7
55.05514	22.6
57.03441	4.8
57.07085	1.3
58.00890	1.1
67.05509	33.0
67.19619	1.2
67.89503	1.0
69.03433	2.1
69.07082	8.4
69.37301	3.3
69.37727	5.8
71.04997	2.3
72.06494	1.1
79.05502	38.4
81.03423	7.2
81.07063	31.4
83.01356	1.8
83.04984	7.9
83.08624	11.0
85.06536	1.5
89.33010	1.0
91.04896	1.3
91.05486	27.0
93.07053	35.1
95.04983	8.3
95.08620	18.3
97.02913	1.7
97.06529	3.3
97.10178	11.0
99.04436	1.4
105.07046	20.0
107.04974	4.7
107.08598	18.4
109.06521	4.8
109.10168	10.8
111.04496	1.5
111.08092	2.7
115.05437	2.3
117.07015	15.3
119.08595	16.4
121.06509	3.9
121.10149	12.3
123.08051	3.9
125.09650	10.0
125.36685	1.3
128.06250	3.2
129.07024	8.6
130.07823	1.7
131.08585	15.9
133.10156	13.6
135.08055	3.2
135.11720	7.4
137.09625	2.2
141.07024	2.8
143.08580	9.8
145.06552	2.2
145.10136	19.5
147.08116	2.1
147.11679	7.6
149.09619	1.8
149.13280	2.3
153.09117	1.4
153.12727	2.3
155.08595	4.4
156.04744	1.2
157.06517	1.2
157.10136	7.8
159.08041	1.9
159.11717	9.7
161.09612	2.7
161.13246	3.2
163.11163	6.9
167.08638	2.8
169.10165	5.6
171.08023	2.2
171.11667	8.5
173.09572	1.9
173.11980	1.6
173.13225	6.9
175.11182	2.3
181.10106	2.5
181.12282	2.4
182.11087	1.3
183.11755	5.9
185.09663	1.4
185.13280	3.5
187.11232	1.5
187.13229	1.5
187.14847	2.7
189.11250	5.4
189.12779	1.4
193.10141	1.6
195.11816	4.2
197.13197	1.5
197.53619	1.3
199.11082	2.1
199.14886	2.0
201.16534	1.5
207.11729	1.4
209.11601	1.7
209.13388	1.5
211.14885	1.5
213.12827	1.7
213.16438	2.5
215.17950	1.9
223.14915	1.3
225.16309	1.2
227.12772	7.4
227.18057	1.9
231.17433	1.8
237.16389	1.4
253.19537	3.2
255.17448	3.4
261.22253	2.2
271.20667	7.3
273.18500	1.5
283.15668	2.1
300.79559	1.2
311.20050	1.4
329.21219	1.6
395.29294	2.4
405.28040	5.4
417.26117	1.8
423.29016	9.4
441.29962	3.9
459.31369	1.8
479.31610	1.7
487.34171	1.5
497.32626	12.0
515.33691	100.0
516.34015	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	515.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.4
67.05510	57.4
69.07064	29.9
70.60255	6.5
71.60606	9.3
79.05487	50.1
81.07065	66.9
83.08619	18.6
87.74917	6.5
91.05486	50.2
93.07063	57.6
95.04972	14.2
95.08607	66.3
97.10165	8.7
105.07042	51.9
107.08614	63.5
109.06503	10.6
109.10179	26.6
111.08099	26.5
112.27998	6.0
113.96935	6.6
117.07059	16.4
119.08588	85.2
121.10152	54.0
123.11703	15.5
125.09684	7.0
129.07051	10.4
131.08583	36.8
133.10138	42.8
135.08040	18.6
135.11720	16.6
143.08554	20.6
145.10149	56.2
147.11694	27.8
149.09627	10.6
149.13263	15.6
157.10165	21.1
159.11670	34.1
161.13255	22.6
163.11194	15.5
163.14796	12.9
171.11705	18.2
173.13268	36.2
175.14891	18.0
177.16418	15.0
183.11760	9.4
185.13306	12.0
187.14836	100.0
189.16339	42.0
193.15981	11.4
199.14972	9.0
201.16394	25.2
203.14485	7.3
209.16286	7.1
213.16415	22.7
215.17929	10.8
217.15846	7.9
227.12808	14.7
235.16956	11.6
237.14610	7.8
241.19658	7.4
243.21086	7.1
245.15422	10.9
267.20920	16.3
275.20151	10.1
349.28851	9.1
355.06104	7.0
367.29926	10.1
391.29971	34.1
395.29495	18.6
409.31061	99.3
411.05533	7.6
411.32642	16.1
413.30606	9.2
419.29413	21.9
437.30551	30.0
455.31567	13.7
469.32947	14.8
486.65851	6.9
497.32797	9.8
515.33862	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.9
55.01876	4.8
55.05511	21.8
55.85998	4.3
57.03432	11.8
57.07069	5.8
61.02914	9.0
63.68988	3.8
67.05167	7.1
67.05511	88.8
69.03411	9.3
69.07077	21.5
69.07403	4.5
70.17465	12.4
71.05002	7.0
73.39076	3.7
75.37244	4.0
79.05499	52.1
81.03438	13.3
81.07065	100.0
83.04983	7.8
83.08609	9.2
85.02901	11.2
85.06541	8.8
91.05493	37.6
93.07050	67.5
95.04985	11.5
95.08620	64.9
97.02907	8.7
97.06557	10.5
99.08085	6.1
102.15665	3.9
105.07052	29.2
107.08597	39.2
109.06505	9.8
109.10162	34.8
111.08100	5.2
117.07039	20.2
119.08594	27.8
121.06472	4.6
121.10179	30.7
123.08095	4.9
123.11731	12.2
129.07010	5.4
131.08577	24.4
133.10156	23.7
133.42416	4.5
135.11729	23.7
137.13252	7.1
141.07050	4.3
143.08586	5.6
145.10109	22.1
147.11694	18.5
148.17213	5.1
149.13272	17.7
159.11716	14.2
159.57320	3.9
161.13225	10.9
163.11252	5.4
163.14828	9.4
168.76785	4.6
171.11740	8.5
172.10841	4.5
173.13275	11.0
175.14836	6.0
187.14722	5.5
243.21083	12.6
261.22189	39.0
279.23218	5.1
301.21774	4.9
303.23230	8.2
335.25787	18.9
345.24237	7.4
351.22952	4.8
353.26837	17.8
387.25275	5.8
405.26770	6.2
419.27588	8.8
461.28922	5.8
497.31470	10.0
515.26050	9.4
515.33118	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.05503	22.2
55.24767	4.3
57.03422	6.9
61.02901	4.5
67.05166	7.0
67.05507	98.4
69.03421	8.5
69.07058	19.2
71.04986	5.6
79.05499	55.2
81.03429	7.2
81.07061	100.0
83.08607	9.7
85.02916	4.5
85.06522	5.1
91.05484	37.0
93.07053	71.8
95.04984	7.6
95.08615	65.9
97.10189	5.8
99.08071	7.5
105.07038	31.2
107.08599	43.5
109.06550	4.8
109.10152	31.3
111.08083	5.2
117.07007	12.7
119.08568	24.0
121.10162	41.5
123.11679	11.2
129.07048	6.0
131.08543	29.9
133.10143	20.5
135.08020	6.0
135.11739	34.1
143.08603	4.5
145.10139	25.9
147.11668	18.1
149.13306	21.7
157.10078	4.4
159.11722	14.9
161.13257	15.2
163.14827	12.3
173.13283	15.6
173.64925	3.9
175.14777	6.1
187.14812	7.8
189.86479	4.6
220.67021	4.6
226.73849	4.1
236.91080	4.4
243.21049	17.5
261.22159	79.3
335.25812	12.2
353.26785	15.3
515.33960	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.8
55.05518	32.3
57.03437	11.7
65.03940	6.1
67.05504	75.3
69.03429	15.3
69.07058	30.4
71.60416	7.2
79.05494	68.2
81.03415	9.5
81.07056	100.0
83.04971	11.0
83.08611	15.1
85.02905	7.5
85.06532	10.2
86.09618	7.4
91.05474	48.8
93.07040	81.2
95.04982	13.5
95.08602	69.7
97.06543	7.2
97.10146	9.3
99.08088	7.6
104.10701	5.6
105.07029	39.9
107.08604	40.9
109.06535	9.4
109.10167	34.0
117.07045	27.1
119.08574	28.8
121.10156	37.1
123.08025	8.5
123.11716	16.7
131.08588	40.4
133.10147	20.4
135.11705	30.2
137.13184	7.1
143.08556	5.9
145.10118	22.3
147.11694	19.8
149.09554	7.4
149.13251	20.9
157.10118	10.6
159.11687	24.8
161.09660	5.7
161.13258	16.5
163.14810	14.3
167.08534	6.4
173.13234	18.4
174.84212	5.6
175.11096	5.7
177.12856	6.3
177.16331	6.1
183.11642	6.7
184.07323	12.1
187.14830	14.1
199.14854	6.6
209.13223	6.5
243.21159	15.8
245.41382	5.5
261.22125	56.6
335.25766	11.9
353.26819	13.4
369.24100	8.4
387.25272	8.1
461.28979	8.0
497.31641	9.3
515.33325	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59370	3.7
53.03939	6.1
55.01835	2.4
55.05510	20.6
55.50663	2.8
57.03428	11.2
61.02922	8.0
65.03942	5.2
67.05508	85.5
69.03432	5.6
69.07069	21.4
69.76585	12.7
71.04993	4.4
79.05498	50.7
80.50604	2.7
81.03430	4.4
81.07060	100.0
82.06818	3.1
83.04978	5.2
83.08619	11.8
85.02878	6.3
85.06535	3.5
91.03976	3.6
91.05489	30.5
93.07049	68.1
95.04954	9.0
95.08613	75.9
97.02894	5.6
97.06510	5.0
99.08097	6.2
105.07027	27.2
107.04980	3.8
107.08590	45.8
109.06538	9.3
109.10159	37.1
111.08065	3.9
117.07036	14.4
119.08598	18.5
121.06494	2.9
121.10143	39.9
123.08095	6.2
123.11696	16.9
129.06984	3.1
131.08615	24.0
133.10110	21.9
135.08076	3.7
135.11696	30.1
137.09650	5.3
137.13292	6.1
143.08560	5.0
145.10155	20.9
147.11711	11.9
149.13252	22.2
155.08434	3.1
157.10150	5.0
159.11693	18.4
161.13303	11.6
163.11174	4.7
163.14842	10.3
171.11679	3.7
173.13254	18.1
175.14891	5.0
177.16408	6.2
187.14917	8.3
201.16277	4.7
227.12810	4.7
243.21089	24.4
253.19873	3.0
261.22177	64.0
301.21695	3.2
303.23248	3.6
335.25769	21.8
345.24298	6.4
348.62848	2.8
353.27014	16.9
380.37457	3.0
441.33844	3.6
452.36237	2.9
497.31384	7.1
515.33624	6.5
527.43671	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	515.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.4
57.07066	5.8
59.04966	3.6
67.05508	11.0
69.03423	5.3
69.07063	8.2
69.26230	7.0
69.26627	30.6
79.05521	15.3
79.58128	3.3
81.03430	3.8
81.07076	27.6
83.08612	3.8
91.05501	21.9
93.07066	25.9
95.04980	7.9
95.08619	22.8
97.06541	12.9
97.78085	2.8
98.21514	6.7
105.07043	97.5
107.08607	36.6
109.06540	7.1
109.10171	11.5
111.08089	3.8
115.07542	3.4
117.07037	8.5
119.08600	60.3
121.06533	31.9
121.10157	25.0
123.06455	3.3
123.08090	7.7
123.11715	4.6
128.06258	7.0
129.07007	10.7
131.08588	73.8
133.10159	33.3
135.08096	10.2
135.11696	10.4
137.06018	3.6
137.09631	5.3
141.06998	5.1
142.07813	6.6
143.08577	29.9
144.09436	4.3
145.10147	70.9
147.08099	9.0
147.11714	35.3
149.13254	5.9
151.07669	3.3
155.08586	9.6
156.09392	13.4
157.10162	34.3
158.10933	8.1
159.11740	42.4
161.09645	13.9
161.13266	21.6
163.03917	5.6
163.07585	3.6
163.11172	6.4
163.14835	10.9
168.09381	6.0
169.10164	12.8
170.10869	3.3
171.11731	38.4
173.09686	6.9
173.13292	100.0
175.11256	7.0
175.14830	12.7
176.11978	4.8
177.12746	5.3
181.10181	11.0
182.10880	7.5
183.11713	32.3
185.13269	33.1
187.11232	5.0
187.14841	29.7
189.12776	28.7
191.14351	33.1
195.11754	4.6
197.13280	20.8
199.11221	32.1
199.14845	33.0
201.12756	25.0
201.16469	5.4
203.14337	11.5
205.15981	5.4
209.13219	4.6
211.14850	7.1
213.12785	4.4
213.16428	6.2
215.14360	22.1
217.12288	35.5
217.15968	9.7
219.13818	7.2
219.17464	3.7
223.14900	3.9
225.16386	7.6
229.15898	3.1
231.13831	10.2
233.15536	10.7
235.13339	11.1
241.15878	6.5
243.13821	5.1
243.17461	4.1
245.15422	6.0
247.13231	3.1
253.14282	4.8
259.16983	7.0
261.14871	6.5
263.12833	65.7
267.38107	3.1
305.17557	16.5
387.26709	6.8
389.28339	6.4
405.27814	7.7
415.26041	3.6
421.27567	5.1
423.28976	4.9
433.27380	13.5
439.28375	6.3
451.28537	53.3
453.29977	4.8
454.50446	3.2
469.23611	3.7
469.29724	38.4
479.28094	7.0
497.29260	15.4
515.29889	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	514.2146
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
52.44617	0.3
53.03952	0.6
55.01867	0.6
57.03447	1.8
59.50622	0.4
61.02912	1.2
65.59949	0.3
67.05497	1.2
68.05032	0.4
69.03438	4.5
70.06580	1.4
71.04998	0.8
71.58528	0.3
73.02907	1.2
81.03407	1.7
85.02418	0.6
85.02908	9.5
87.04482	1.7
91.03951	0.8
94.06538	0.4
97.02898	3.4
99.04435	0.9
102.54092	0.4
103.03941	0.4
109.02867	1.4
114.23765	0.4
119.03598	1.7
119.30475	0.3
127.03939	2.3
128.07051	0.5
131.27104	0.3
135.06657	0.8
136.06192	100.0
137.04591	1.1
137.06552	0.6
145.04967	1.3
148.06189	4.5
158.07178	0.5
159.06693	2.3
160.06212	0.4
173.08220	1.1
175.09785	0.8
178.07236	0.4
185.08240	13.8
187.08589	0.8
202.10887	24.6
220.11945	62.4
221.12209	0.4
288.11353	0.5
298.11777	0.4
352.12299	0.6
352.16171	5.5
382.17227	64.2
383.17474	1.2
435.46594	0.4
501.88007	0.4
514.21521	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	513.3216
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
55.05519	19.4
56.70679	3.3
57.07076	6.0
62.30611	2.8
62.76747	2.5
65.03934	3.9
67.05523	26.0
69.03436	6.1
69.07071	16.3
69.50081	22.2
71.04996	3.3
71.08676	3.4
79.05495	28.4
81.07063	52.3
83.08629	14.1
88.02221	3.3
88.07652	4.0
91.05476	27.5
93.07054	40.4
95.04971	5.6
95.08609	49.9
97.10162	4.8
105.07045	47.0
107.08601	43.3
109.06514	13.3
109.10164	27.8
111.08112	23.3
117.07037	11.9
119.08585	63.1
121.06519	4.3
121.10146	45.1
123.08089	7.2
123.11741	10.9
127.07563	7.7
127.94482	2.8
128.06241	5.9
129.07005	11.3
131.08571	40.7
133.10161	28.8
135.08070	23.1
135.11728	18.3
137.09621	6.5
137.13235	4.8
141.07021	5.5
142.07819	8.9
143.08565	41.2
144.09352	3.1
145.06512	3.8
145.10139	49.8
147.08148	4.0
147.11713	27.6
149.09660	5.7
149.13280	5.7
151.11162	4.5
153.09145	3.2
155.08574	14.6
156.09421	9.3
157.10136	38.3
159.11696	28.2
161.09628	5.0
161.13289	20.1
163.07556	3.8
163.11180	4.2
163.14891	8.6
167.08600	6.6
169.10147	23.5
170.10951	8.9
171.11667	33.7
173.13286	30.4
175.11218	7.0
175.14824	14.8
177.12825	4.6
179.14322	4.4
181.10211	11.6
182.10944	4.7
183.11710	29.8
185.11635	5.8
185.13269	84.9
187.14851	74.1
189.12778	5.5
189.16394	6.9
193.10167	6.2
193.12357	3.6
193.15916	5.0
195.11693	18.0
195.13573	2.4
197.13235	22.5
199.11098	3.7
199.14862	33.6
201.16428	10.2
203.14194	4.0
207.11716	4.3
208.96848	3.0
209.13336	11.3
210.13916	3.1
211.14861	28.1
213.12822	8.2
213.16409	32.4
215.18060	4.1
219.13890	4.0
221.13399	7.1
221.15314	4.7
223.14844	7.8
225.16359	8.5
227.17967	9.0
231.13881	3.9
233.15393	5.7
235.14919	5.6
237.16394	6.0
239.18005	12.6
241.19534	6.2
245.15417	7.3
251.18149	4.5
253.19527	8.2
255.17442	3.1
256.26477	7.0
257.26590	4.6
259.17270	3.8
265.19592	9.1
267.21133	10.0
283.26184	5.9
285.18588	5.3
291.21115	5.0
305.22852	3.5
309.26367	3.5
313.21912	3.8
347.27460	4.2
365.28510	15.3
377.24774	3.5
389.28455	19.3
391.30026	6.9
393.27737	17.2
407.29440	100.0
409.27063	3.8
411.28940	13.1
417.27893	14.6
419.29355	3.8
421.31021	5.0
435.28928	36.5
436.29379	3.6
449.30362	6.7
453.30072	19.6
463.28381	3.5
488.30438	3.2
512.50342	7.8
513.36353	48.3
513.50397	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.01870	2.8
55.05513	34.7
57.03441	21.9
57.07067	9.4
65.03935	5.9
67.05510	94.5
68.99770	2.3
69.03437	9.7
69.06725	2.8
69.07076	35.6
71.01363	24.2
71.04995	3.8
71.08646	4.0
71.58956	2.6
73.02918	23.2
75.04506	3.2
77.30342	2.1
79.05501	39.0
81.07065	100.0
83.01341	2.4
83.04970	5.9
83.08634	20.6
83.96950	1.8
85.02911	46.3
85.06530	4.5
85.10191	3.1
87.42387	2.1
91.05482	26.7
93.07049	37.5
93.29655	1.9
95.01347	13.8
95.04951	4.2
95.08610	86.0
97.02895	18.4
97.06539	6.2
97.10189	13.5
99.00807	5.4
99.04491	2.9
99.08079	5.7
101.02385	7.7
103.03944	8.8
105.07024	22.5
107.08606	21.3
109.06532	2.1
109.10163	35.4
111.08092	5.5
111.11726	3.5
113.02379	22.3
117.06994	3.9
119.08590	16.1
121.06507	2.4
121.10147	23.8
123.00797	4.1
123.04482	2.8
123.11711	20.7
125.09615	3.5
127.11187	2.8
129.07008	3.0
131.03423	10.4
131.08575	5.0
133.10139	17.9
135.11729	12.7
137.13243	9.0
139.11224	3.7
140.92020	2.6
141.01859	24.1
143.08511	3.2
145.04982	5.8
147.11710	13.8
149.13277	10.7
151.11188	2.4
151.14833	2.6
157.10054	2.2
159.02914	6.5
159.06548	5.8
159.11783	2.8
161.13271	12.4
163.14861	8.5
165.12831	2.2
169.04942	6.3
171.11703	3.2
175.14822	7.3
177.16264	2.5
179.17966	2.6
183.11635	2.8
189.16470	2.8
197.04457	5.8
215.05525	13.1
233.06673	2.7
241.57143	2.4
245.22673	16.7
263.23746	37.0
287.23877	2.4
305.24710	7.8
337.27411	55.7
357.24460	2.6
385.23825	2.5
403.24475	2.0
413.26382	2.2
421.31000	2.6
477.28763	2.8
479.39987	2.2
495.29758	4.9
513.29791	16.9
513.36615	4.8
513.50598	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85047	2.9
55.05500	13.9
57.03427	8.5
58.47089	3.3
60.69366	3.1
61.02929	17.3
67.05513	34.0
69.03421	6.7
69.07067	11.7
71.04975	4.5
79.05499	41.9
81.03396	7.8
81.07060	30.7
83.08605	6.2
85.02917	18.3
85.06582	4.4
91.03958	7.7
91.05483	35.7
93.07055	48.5
95.04981	4.3
95.08614	20.2
96.66938	2.9
97.02888	9.4
97.06512	3.1
99.08132	3.8
105.07045	32.1
107.08607	29.3
109.10161	9.6
117.07013	11.7
119.08588	36.7
121.10174	26.7
123.08059	2.9
123.11811	3.2
126.48100	3.1
127.03886	3.5
129.06999	5.4
131.08597	17.9
133.10129	27.5
135.11694	24.9
143.08611	8.7
145.10156	20.3
146.48495	3.4
147.11691	28.5
149.13249	16.1
155.08470	3.0
157.10162	10.4
159.11719	12.5
161.13321	19.8
163.14856	7.2
168.63478	3.4
171.11710	14.1
173.13249	8.4
175.14828	13.1
185.13278	9.2
189.12823	3.7
199.14804	4.0
231.21077	5.8
241.19484	21.0
259.20584	52.0
277.21649	9.6
331.62845	3.1
333.24203	7.1
349.23697	6.4
351.25336	100.0
375.25485	3.7
421.26431	3.5
426.11948	3.5
441.26440	6.9
468.01920	3.5
495.29739	9.0
513.31647	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.9
55.05517	11.4
57.03435	5.7
57.07056	5.3
61.02925	17.5
63.87701	4.3
67.05524	28.1
67.85004	3.8
69.03426	12.0
69.07073	13.6
71.38528	5.5
77.33686	5.5
79.05482	29.4
81.03431	19.1
81.07064	38.6
83.08609	12.9
85.02914	17.9
85.06537	5.6
91.03951	7.8
91.05490	41.7
93.07057	39.7
93.56889	4.1
95.04974	10.1
95.08611	31.9
97.02929	12.5
97.06526	4.5
105.07029	43.6
105.23428	4.2
107.04944	6.3
107.08624	25.0
109.06557	4.9
109.10172	8.5
117.07047	14.1
119.08602	29.7
121.10167	27.0
123.08060	5.9
127.03889	7.2
127.92063	4.3
129.07014	8.6
131.08548	26.1
131.20914	4.1
133.10159	31.8
135.11703	20.2
143.08548	13.8
145.10153	15.2
147.11743	26.1
147.36693	4.2
149.13272	10.2
157.10147	8.4
159.11699	17.0
161.13281	19.3
163.03932	9.0
171.11685	11.5
173.13293	15.9
175.14899	11.5
185.13277	8.1
187.14853	5.5
199.14886	5.7
203.14268	4.8
231.17352	7.6
231.20998	5.0
241.19518	24.8
259.20615	52.0
272.26425	4.2
277.21509	6.6
351.25351	100.0
375.25464	5.8
441.26224	7.8
477.28513	6.3
495.29691	7.1
513.16315	5.3
513.31866	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	513.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
55.01873	8.2
55.05511	14.5
57.03434	6.3
59.04988	2.5
61.02918	5.8
67.05514	6.0
68.99791	3.9
69.03432	41.1
69.07072	10.6
70.09225	8.2
71.04993	7.1
73.02902	7.5
79.05506	7.1
80.27443	2.2
81.02979	2.8
81.03426	37.2
81.07068	11.1
83.01359	2.5
83.04986	17.7
83.08634	4.3
85.02908	58.0
85.06543	4.1
87.00837	23.4
91.05485	11.2
92.05038	1.7
93.07047	13.9
95.04971	30.1
95.08605	13.7
97.02911	21.3
97.06504	2.7
98.10636	1.8
99.04452	12.0
100.02219	5.7
101.06039	6.6
103.05475	2.3
105.01884	18.3
105.07029	15.1
107.04972	2.0
107.08588	15.8
109.02878	34.0
109.06501	11.4
109.10177	11.5
110.09724	1.9
117.01894	3.4
117.07030	4.5
119.04990	2.3
119.08577	11.7
120.08129	2.9
121.06541	5.3
121.10167	11.0
123.11703	6.4
127.03921	52.7
129.01859	4.7
129.06993	2.9
131.08612	9.9
133.06496	2.2
133.10138	7.7
135.08046	15.9
135.11725	11.1
136.86273	1.8
137.05945	3.1
137.09619	5.0
138.09123	4.2
143.08545	2.8
145.04968	13.9
145.10124	15.3
145.11090	2.1
147.02950	2.1
147.04468	2.3
147.08086	2.6
147.11687	10.1
149.09618	9.5
151.07559	2.8
155.08554	2.3
156.09312	1.6
157.10121	2.1
159.02922	17.4
159.08095	4.9
159.11711	8.0
160.80533	1.9
161.09601	4.0
161.13252	5.9
163.11194	16.4
165.12772	51.0
166.08641	6.5
171.11714	5.0
173.09688	4.6
173.13167	1.9
175.11191	2.1
175.14867	2.5
177.09062	12.3
177.12759	2.6
177.16443	4.0
187.11105	2.2
187.14819	8.2
189.12735	9.3
191.10611	9.9
198.41118	1.9
201.16446	2.7
203.04836	2.2
203.14304	2.0
205.15906	18.3
211.14822	2.2
213.03969	3.7
217.15941	2.0
219.17464	2.4
226.05063	6.7
229.15955	9.8
231.05034	10.5
247.16956	100.0
265.14209	4.1
265.14749	3.6
265.17993	87.8
265.20865	4.3
282.07370	1.9
379.12933	2.8
417.23865	2.1
421.14160	2.9
513.16675	9.5
513.24481	10.5
520.69739	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	513.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54586	2.0
53.03944	8.8
55.01877	9.5
55.05519	17.1
57.03440	6.9
57.27434	1.8
59.61720	1.7
60.33659	2.2
61.02925	5.7
62.54145	2.3
67.05511	8.3
68.99783	3.5
69.03436	40.0
69.07073	11.5
70.06599	3.9
70.71017	5.3
70.93860	1.9
71.04989	6.8
73.02915	8.4
77.91845	2.0
79.05510	10.0
80.94864	2.1
81.03424	39.8
81.07072	15.7
83.04987	22.4
83.08612	3.7
85.02913	70.3
85.06545	2.6
87.00843	24.5
91.05492	12.5
93.07063	18.3
94.06558	3.1
95.04977	33.0
95.07387	2.7
95.08594	12.8
96.08138	6.5
97.02910	24.6
97.06554	4.7
99.04474	12.6
100.02176	3.3
101.02371	2.1
101.06037	7.0
105.01871	17.7
105.07056	18.0
107.04951	3.2
107.08604	17.3
108.08122	3.6
109.02883	34.2
109.06573	12.7
109.10159	13.9
110.09702	7.6
111.04475	3.2
117.01876	4.7
117.07007	4.3
118.06535	2.4
119.04974	4.7
119.08598	11.3
120.04453	2.2
120.08129	9.2
121.06527	7.0
121.10141	12.6
123.08094	3.1
123.11723	5.5
127.03928	51.7
129.01826	5.1
129.29848	2.5
131.08589	10.3
133.06393	3.0
133.10161	9.0
135.08067	14.6
135.11708	13.9
136.07556	4.6
137.06021	2.6
137.09650	5.9
138.09109	13.4
143.08536	5.0
145.04988	22.3
145.10158	18.6
147.02913	3.0
147.04475	2.6
147.08051	2.7
147.11716	12.4
148.07544	2.3
149.09651	8.2
155.66064	2.2
157.10199	2.1
159.02895	16.2
159.08093	7.1
159.11710	7.2
161.09627	6.1
161.13266	6.1
163.07492	2.7
163.11214	15.5
163.14775	2.3
165.09172	3.2
165.12776	59.6
165.14134	4.4
166.08656	28.2
169.10207	2.3
171.11703	5.1
173.13397	2.7
175.11261	2.5
177.09100	13.8
177.12738	2.6
181.12323	2.1
185.13171	2.4
187.14821	8.2
188.07065	2.7
189.12752	13.2
191.10666	9.9
198.05534	2.6
201.16339	3.2
203.14296	2.5
205.15878	18.3
213.03986	5.1
219.17458	3.6
226.04976	22.9
229.15842	10.9
231.04973	12.4
240.06606	8.2
247.16959	100.0
258.07629	3.3
265.18002	84.4
266.18274	2.8
268.06055	3.5
282.07837	2.5
360.10571	2.5
361.11777	5.9
379.13055	4.4
403.13074	3.5
421.14029	7.0
439.15024	2.9
463.14789	6.6
481.16220	4.8
495.22028	2.7
513.17261	7.4
513.23962	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	512.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.2
57.02398	1.4
57.06824	2.3
57.07077	31.6
67.05500	2.6
68.86826	1.6
69.07056	5.2
69.27419	2.4
69.27818	15.6
70.06582	7.9
71.08285	2.2
71.08639	27.1
81.07060	3.6
83.08639	1.8
85.10188	14.5
88.07627	9.9
89.06036	100.0
90.81676	1.7
91.05482	2.9
95.08629	2.7
97.10187	3.9
102.09163	5.3
105.06995	1.8
107.07065	2.6
111.11686	2.8
130.08656	2.7
133.08612	73.4
133.10126	3.1
163.79108	2.0
177.11247	27.9
195.12378	1.8
221.13864	5.9
239.14885	4.8
256.26355	19.1
274.27463	2.0
280.44409	1.7
283.17484	4.7
283.26343	22.9
311.29529	3.1
327.20148	45.8
343.84341	1.7
367.08261	1.7
495.38602	4.6
512.50439	45.9
513.35608	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	513.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	6.5
67.05503	6.9
69.03416	18.6
69.46167	7.2
69.46487	55.6
70.06595	13.9
81.03405	12.3
81.07041	7.7
83.04980	14.7
85.02901	9.1
88.44163	6.3
91.05498	10.8
93.07033	14.5
95.04961	10.3
97.02905	18.4
100.02189	18.0
105.07024	10.2
107.08578	13.0
109.02876	16.7
119.08570	16.4
121.06529	25.5
121.10151	8.1
124.51959	6.5
127.03941	14.2
130.06561	13.7
131.08591	15.7
132.07848	6.6
133.10141	11.5
135.08047	21.4
145.10103	8.3
149.09541	6.9
150.10349	6.9
159.07965	8.2
159.11710	19.0
161.07118	11.2
163.07567	10.6
163.11188	7.1
173.09573	15.1
173.13278	19.5
187.11150	34.9
191.06941	7.7
201.12791	27.2
205.12189	11.0
207.09845	7.3
219.13651	8.0
229.12274	31.3
247.13321	100.0
265.10977	21.2
273.12372	35.5
274.12741	55.5
281.10379	13.6
409.19766	8.5
427.16321	13.9
464.54596	6.9
469.21777	54.1
513.19995	28.1
513.26898	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	511.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15224	0.5
53.03951	2.5
55.01861	0.7
57.03426	0.7
68.93665	0.4
69.03430	1.6
69.71719	1.3
69.72132	1.9
70.06575	0.7
79.05500	2.0
81.03419	6.8
83.04976	1.6
85.02899	1.3
85.63392	0.5
91.05468	5.8
93.07051	4.3
97.02898	1.7
99.04442	1.1
101.00526	0.5
105.07043	1.3
107.04949	1.4
107.08588	2.7
109.02891	2.7
115.05472	0.7
117.07025	41.4
119.08557	4.1
121.06519	2.7
121.10164	1.3
123.04402	0.6
127.03922	100.0
128.04240	0.7
131.08577	3.0
133.06514	0.7
133.10139	0.8
135.08060	6.0
142.81589	0.6
145.05008	0.7
149.09644	4.5
151.96060	0.5
159.08072	3.0
163.03850	0.9
163.07559	8.5
172.06140	0.6
177.09129	9.9
187.07545	1.2
195.10155	7.6
205.08588	4.6
223.09663	4.3
225.07536	1.2
229.47525	0.6
241.10744	7.3
295.61298	0.6
349.12735	0.8
367.13788	2.1
450.80670	0.6
511.21249	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	511.2881
Annotation	Leukotriene D4 methyl ester
Peak:m/z	Relative Intensity
53.31163	0.3
62.64702	0.3
68.39920	0.3
71.19979	0.5
77.41166	0.3
79.05471	0.3
81.07056	0.3
89.13750	0.3
95.08592	0.3
119.30935	0.3
129.22408	0.3
179.70570	0.3
188.35957	0.3
199.98447	0.3
203.05338	0.9
217.64787	0.3
251.66251	0.3
462.85107	0.3
511.28799	100.0
512.29370	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	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.9
57.03421	4.3
57.07078	39.1
60.08162	5.1
67.05489	13.9
69.07071	11.8
71.08635	28.6
71.59418	3.0
71.62806	3.0
81.07056	20.1
83.08620	18.7
85.02916	4.4
85.10184	19.8
86.09707	13.9
93.07027	4.5
95.08609	29.9
97.02907	3.6
97.10188	5.5
99.83007	3.6
104.10744	27.8
109.10155	14.6
111.11684	5.1
123.11684	7.5
127.03989	4.8
132.86490	3.5
161.13263	4.0
184.07361	24.7
239.23735	37.3
257.24695	4.7
301.74719	3.8
313.27377	100.0
313.97131	3.4
331.28384	11.3
383.27618	5.6
401.28687	8.3
510.35962	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	510.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71966	2.3
55.05515	4.2
57.06814	3.0
57.07082	35.0
58.00311	2.0
69.07072	5.2
69.98676	1.8
70.02943	7.5
71.08643	30.1
73.06554	7.6
79.54067	2.0
81.07053	2.2
83.08633	4.4
85.10203	19.6
88.65983	1.9
89.06045	100.0
89.95284	2.1
95.08614	3.5
97.10190	6.9
107.07066	2.5
117.09184	2.5
127.14845	2.2
133.08620	48.8
163.97218	2.5
177.11272	16.9
239.14848	2.3
270.64276	2.6
283.17526	15.5
299.29459	3.8
343.32220	2.4
449.38617	2.4
463.38312	2.3
493.41251	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	510.3554
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05509	0.5
56.05030	1.2
57.03434	0.7
57.07078	3.3
58.06589	1.5
59.07366	0.3
60.08165	16.5
63.09945	0.3
67.05489	1.0
69.07059	0.8
69.35223	1.2
69.35651	1.6
71.07372	6.5
71.08651	2.1
71.08978	0.5
77.06497	0.4
81.07043	1.0
83.08623	0.6
85.10175	1.0
86.09709	48.5
93.07034	0.3
95.08610	1.4
97.10182	0.4
98.20708	0.6
98.98463	3.7
103.69965	0.4
104.10747	100.0
109.10161	0.6
125.00010	27.6
140.58551	0.3
143.01144	0.4
163.01547	0.7
169.40254	0.3
184.07346	92.3
258.11096	1.4
259.98523	0.4
275.52933	0.4
313.27435	1.0
327.29059	1.6
492.27795	0.6
492.34521	9.3
501.12778	0.4
510.35590	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	509.2725
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
67.05537	0.6
69.07066	0.4
79.05520	0.4
81.07063	0.5
90.96866	0.4
98.21576	0.7
105.07059	0.4
120.08057	0.4
157.10234	0.5
189.53711	0.4
200.75412	0.4
203.18082	0.6
509.27228	100.0
510.27682	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	509.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19714	3.6
55.05509	7.8
57.03445	4.8
59.05630	3.3
59.26483	3.1
61.69962	4.1
65.03980	3.3
67.05501	22.1
69.03403	6.2
69.07055	12.2
71.02008	3.6
71.04992	5.0
71.58997	3.8
79.05492	15.5
81.03420	17.3
81.07063	34.0
83.04965	4.2
83.08621	13.8
85.02892	7.0
88.08398	3.1
91.05482	16.1
92.02714	3.3
93.07034	17.0
95.04959	15.2
95.08617	20.3
97.02879	3.7
97.10144	5.4
99.08131	3.5
105.03404	8.6
105.07063	8.2
107.04981	6.2
107.08611	14.1
109.02849	5.4
109.10152	12.5
111.04347	3.9
111.08120	3.7
111.11706	5.4
119.08566	4.6
123.04436	100.0
123.11736	7.5
125.19235	3.6
127.03963	6.8
129.07033	5.1
131.08626	5.8
133.02870	36.0
133.10106	8.3
135.04442	13.8
135.11707	3.8
137.02377	8.9
147.04417	14.0
147.11697	6.8
149.13248	4.4
151.03918	20.4
151.11137	4.0
152.04723	4.8
157.10162	4.1
163.03918	8.7
167.14384	5.2
175.03883	6.9
184.13083	3.4
193.12248	15.0
205.06557	5.5
211.07780	3.7
211.13332	11.1
221.05997	34.4
223.07550	11.5
223.09555	4.0
233.05997	4.4
237.05562	5.0
239.07024	5.5
248.04486	3.5
249.05504	30.7
251.07068	7.0
261.05225	7.4
265.04922	7.2
267.06586	22.2
269.08548	3.5
277.04941	13.6
279.06412	7.6
285.07626	4.1
293.04477	4.8
293.28418	4.9
295.06024	84.1
311.05478	4.9
313.07101	15.7
341.06534	7.4
369.06070	28.0
445.09241	9.6
463.10126	5.9
468.22101	3.6
473.08710	7.0
491.09830	55.5
509.10748	8.7
509.20691	6.6
509.27509	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	509.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
62.20558	0.8
65.03932	3.3
67.05500	1.8
69.03421	3.5
79.05492	1.7
81.03418	4.9
81.07056	1.0
85.02916	4.2
85.06557	4.6
85.36018	0.7
89.88929	0.7
91.05464	1.3
93.07016	2.3
95.04992	6.4
97.02885	2.7
98.21497	2.9
98.32547	0.9
101.12502	0.7
101.54527	0.9
105.07014	1.3
107.08613	1.4
109.02886	2.9
109.06503	1.0
111.04436	1.9
119.08598	1.3
121.02875	100.0
121.10162	0.8
125.05970	0.9
127.03904	2.1
131.08563	4.4
133.06476	1.0
133.10107	1.1
136.07600	1.6
139.03908	16.4
145.06454	0.9
145.10139	1.4
147.08035	1.1
149.06036	1.0
149.09624	2.1
151.07542	1.2
159.08098	1.0
163.03856	1.2
163.11209	1.3
164.07082	2.1
167.07065	1.4
167.10666	1.6
174.06020	0.7
191.10663	4.3
209.11778	5.1
227.12807	3.4
229.52005	0.9
237.11186	0.9
244.67995	0.8
265.07065	4.8
283.08136	13.1
382.63327	0.9
423.12766	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	508.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	45.0
57.03444	12.1
57.07073	22.8
60.08157	11.3
61.64391	5.3
62.06089	14.4
67.05506	57.5
68.05835	6.4
69.07072	56.4
70.93584	6.0
71.08620	14.2
71.59006	7.5
79.05507	19.6
81.07060	82.4
82.07433	6.1
83.08628	38.9
85.02913	11.6
86.09723	38.4
91.05482	13.1
93.07072	45.1
94.07372	8.1
95.08600	56.5
96.08929	9.2
97.06571	12.5
97.10167	30.0
98.98479	25.8
104.10762	43.0
105.07034	10.9
107.08596	23.8
109.10172	25.6
111.08086	8.5
111.11744	9.2
121.10146	53.5
123.08078	6.2
123.11723	25.4
124.99999	20.8
125.09660	7.9
135.11688	38.0
137.13286	17.2
149.13252	22.9
168.70811	5.2
171.28853	5.5
184.07356	95.5
219.21109	46.1
237.22169	100.0
255.23256	14.4
311.25824	98.6
329.26959	26.6
336.26260	40.5
432.54068	6.9
470.96442	6.8
508.34360	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	508.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66337	1.4
69.56229	5.8
69.56640	2.3
70.06908	1.2
81.03440	1.5
81.07039	2.2
83.41171	1.2
91.05475	2.7
94.04136	1.8
95.04964	1.5
95.08585	1.6
105.07060	2.8
107.04935	2.0
107.53141	1.3
115.05408	1.3
119.04945	2.5
122.03634	3.9
128.06282	1.3
133.06529	1.8
137.05983	64.6
143.04903	1.6
145.06487	7.2
147.04448	2.5
151.03874	4.5
155.06082	1.2
161.05971	4.7
162.05466	2.2
162.06744	2.6
173.05974	4.8
186.03096	3.8
188.07076	2.7
189.06915	2.4
201.05476	45.7
202.07637	1.6
205.06506	5.2
206.07297	5.7
213.05435	5.2
217.06425	2.7
218.07275	1.8
219.08057	1.4
220.05080	1.6
221.09615	2.4
222.06813	2.3
231.06537	4.8
233.05913	5.9
234.06761	20.0
235.07477	4.2
237.09106	3.9
245.05957	6.4
246.06613	2.6
248.08318	2.3
249.05269	1.7
249.09169	6.3
250.06203	3.9
251.07121	3.1
254.05788	1.3
259.07535	2.2
261.05505	2.1
262.06238	20.3
263.07095	3.6
264.07843	1.3
265.08633	5.6
266.09305	4.0
273.05450	4.2
274.06189	2.8
276.07922	2.9
277.08618	20.7
278.05792	2.7
279.06622	3.4
279.09790	1.4
287.07016	2.5
290.05759	32.1
291.06635	1.5
291.09970	1.9
292.07233	3.5
293.08002	5.4
294.08810	4.4
295.09610	2.8
304.07401	1.8
305.08099	48.2
306.08478	1.6
307.06226	2.7
307.09592	6.4
309.11154	2.9
311.12637	1.2
319.09631	4.6
322.08310	5.2
325.10687	23.0
337.10712	100.0
355.11813	15.1
373.13620	1.4
460.17807	6.6
490.18637	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	507.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
54.58435	1.7
55.01885	3.3
55.05517	27.6
57.03435	5.0
57.07084	16.8
59.05001	2.2
65.03923	2.4
67.05511	100.0
69.07072	19.9
71.04990	3.3
71.08640	10.0
71.59840	2.5
79.05496	38.0
81.03409	6.0
81.07065	75.6
83.04981	3.3
83.08635	22.9
85.06570	3.8
85.10170	5.8
91.05486	24.0
92.05864	1.4
93.07058	38.7
95.04967	6.4
95.08619	50.7
97.06542	4.2
97.10174	15.5
99.08137	2.1
105.07047	16.5
107.08606	29.7
108.28227	1.5
109.06537	4.1
109.10170	56.2
109.10918	3.0
111.08080	4.2
117.07020	8.1
119.08594	20.6
121.10160	20.4
123.08147	2.8
123.11730	11.4
125.09625	11.0
129.06963	2.7
131.08588	12.8
133.10149	14.5
135.11696	17.5
137.09634	3.0
137.13237	2.4
141.07045	1.6
143.08629	1.9
145.10133	7.9
147.11673	10.4
149.09692	2.6
149.13274	12.6
151.11180	1.8
151.14767	2.0
155.10713	3.6
157.10081	2.0
159.11714	9.9
161.13260	6.4
163.14825	3.5
171.11771	3.1
173.11734	14.6
173.13298	6.9
175.14775	2.4
177.16380	1.8
184.71953	1.5
186.89365	1.6
187.14859	3.3
189.11223	11.6
193.12228	2.5
195.00360	2.6
195.13879	1.8
197.13358	2.0
199.14774	1.7
213.14854	1.7
227.12811	8.5
229.14354	28.7
243.21205	3.8
253.94321	1.7
259.20477	1.8
261.22174	29.5
263.23727	3.0
317.24786	5.0
331.64648	1.8
333.24265	1.6
335.25842	15.8
344.78366	1.4
379.29944	2.1
386.35449	1.7
397.31030	5.1
403.65952	1.6
415.31915	5.2
433.33020	7.1
471.34409	4.7
489.35846	33.5
507.26788	7.8
507.36639	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	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
53.03947	3.9
54.00848	1.1
55.01871	2.3
55.05516	26.4
57.03438	5.7
57.07089	13.0
59.04996	2.3
63.22742	1.2
65.03935	4.4
67.05509	100.0
69.03434	2.4
69.07076	19.8
69.39659	1.2
71.04991	4.1
71.08632	6.8
71.58993	2.0
77.21497	1.2
79.05499	28.9
81.03432	1.8
81.07064	67.1
83.04993	1.8
83.08623	20.1
85.06553	2.7
85.10223	2.2
91.05491	22.3
93.07049	35.7
95.04974	4.1
95.08614	46.2
97.06535	3.6
97.10190	13.1
105.07045	14.5
107.07957	2.1
107.08609	24.2
109.06532	2.5
109.10169	61.3
111.08076	3.5
115.06905	1.2
117.07001	8.2
119.08588	14.9
121.06512	1.3
121.10153	16.7
123.11707	9.0
125.09642	7.7
129.07040	2.7
131.08577	10.7
131.68103	1.2
133.10150	12.8
135.08060	2.1
135.11690	12.5
137.09627	3.2
137.13268	3.7
139.11186	1.8
142.07838	1.1
143.08568	4.0
145.10132	7.2
147.11703	9.4
149.13281	10.9
153.09161	2.1
157.10225	1.5
159.11740	8.4
161.13269	5.8
163.14828	3.3
171.10265	1.3
171.11684	2.9
173.11760	15.1
173.13286	7.3
175.14833	1.5
177.12741	1.8
183.11772	1.4
185.13315	2.6
187.14880	3.7
189.11235	7.2
189.16327	1.7
195.13852	2.6
197.13190	1.6
201.16559	2.1
223.16734	1.3
227.12769	10.5
229.14383	30.0
243.21045	3.6
253.47073	1.2
257.19003	1.4
259.20587	2.3
261.22192	23.4
263.23685	2.3
279.23264	2.2
310.15146	1.2
317.24866	4.2
333.24133	1.9
335.25903	19.5
379.29962	1.9
397.31039	5.5
415.32010	5.7
433.33093	5.5
449.12497	1.3
471.34644	1.8
489.35803	32.5
507.36697	16.9
507.40244	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	507.2721
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03931	2.6
55.05516	16.4
55.74927	2.3
56.80338	2.2
57.03439	6.1
60.82108	2.4
67.05168	4.0
67.05508	53.5
69.07076	13.4
71.58701	3.1
72.08161	3.1
78.28327	2.6
79.05486	28.5
81.07059	39.9
83.04981	2.6
83.08617	6.1
86.09708	11.1
91.05463	17.1
93.07043	37.8
95.04958	5.4
95.08611	35.6
97.06553	3.4
97.10162	5.7
98.98467	52.5
99.08112	3.5
104.10765	16.0
105.07046	15.6
107.08601	29.9
109.10163	20.0
117.07015	5.0
119.08580	14.5
121.10149	12.0
123.11749	7.0
125.00004	4.0
127.22311	3.4
131.08549	10.7
133.10143	9.5
135.11710	9.4
145.10097	6.1
147.11726	5.5
149.13287	7.5
155.01018	17.4
159.11691	4.3
161.13300	4.7
171.11638	2.4
173.02136	6.4
173.13281	4.5
175.14784	4.8
184.07361	12.9
187.14767	3.8
189.11235	2.7
227.12737	3.4
229.14250	5.6
243.21123	8.5
261.22192	18.9
270.70493	2.6
302.46964	2.9
317.24811	11.6
335.25809	100.0
449.62198	2.7
471.24869	7.5
489.35764	4.3
507.35797	5.1
508.33896	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	506.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37091	4.6
55.05506	18.5
57.03434	11.7
57.07063	11.7
61.02916	6.3
67.05170	7.1
67.05508	100.0
68.05817	10.0
69.07059	23.3
79.05503	29.6
80.05849	5.1
81.07056	76.4
83.08646	13.6
85.75081	5.2
90.84621	5.0
91.05486	28.9
92.05773	5.8
93.07055	38.3
95.08604	70.4
95.23803	5.1
97.06532	9.0
98.10461	5.3
98.98445	10.3
99.08094	6.2
105.07054	26.8
105.69048	5.5
107.08608	26.8
109.10160	46.3
110.10461	9.5
119.08575	19.5
120.08932	6.1
121.10146	23.0
123.11697	19.1
133.10144	20.0
135.11678	16.1
137.13269	16.3
145.10172	5.5
147.11681	19.7
149.13277	7.5
151.14806	17.3
160.12067	6.1
161.13246	15.5
162.13785	5.4
173.11803	7.4
175.14879	6.8
188.05721	5.9
217.19565	66.7
229.14456	14.5
230.14729	7.8
235.20575	64.4
259.20520	14.7
260.21051	24.0
309.24319	17.4
334.24493	14.2
380.26486	6.6
492.00632	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	506.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.9
57.03433	10.9
57.07084	14.8
60.08154	17.4
61.02922	5.8
65.03945	3.4
67.05172	5.4
67.05511	95.5
67.05870	5.3
68.05846	4.2
69.07075	21.1
70.03078	12.9
71.04961	3.0
71.07372	5.7
71.08660	3.7
73.71471	3.3
79.05493	22.6
81.07063	100.0
83.08623	13.2
84.55704	2.8
85.02881	4.8
85.06557	3.5
85.10162	4.0
86.09711	52.7
90.46095	2.7
91.05478	28.4
93.07045	31.3
95.04966	3.5
95.08044	5.7
95.08612	78.6
97.02916	2.9
97.06508	7.3
97.10189	5.8
98.21400	4.4
98.98444	4.1
99.08088	9.7
104.10036	4.8
104.10748	90.2
105.07038	20.1
107.08607	21.8
109.10156	40.8
111.08056	4.7
111.11801	2.7
113.09628	7.7
118.07559	2.9
119.08588	24.4
120.08142	5.1
121.10151	22.1
123.11716	19.3
125.00016	30.3
127.11166	7.6
131.08585	3.7
133.10129	28.1
135.11685	21.7
137.09621	4.2
137.13255	21.9
147.11728	26.5
149.13266	7.8
151.14828	17.0
151.15898	2.5
160.80037	3.1
161.13275	15.9
175.14825	6.4
184.07355	87.6
184.08978	4.9
202.91512	2.7
217.19534	89.3
230.14586	3.2
235.20563	88.8
259.20691	4.0
260.20944	9.6
271.58063	2.9
309.24237	37.1
327.25446	4.2
488.31061	7.9
497.25610	3.0
506.32086	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	506.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
58.01475	0.7
61.91904	0.7
66.04015	0.7
66.37321	0.7
67.43583	0.9
69.03420	2.8
69.07063	2.1
70.06590	6.2
71.57907	1.3
81.03413	1.9
85.02901	5.7
86.09692	1.3
87.04453	3.3
89.06038	100.0
91.05474	2.9
93.07027	1.2
95.04979	1.2
97.02890	2.9
107.07068	2.9
109.02888	1.5
114.05495	1.9
119.04939	6.5
120.08061	1.0
127.03944	2.1
133.08611	60.7
136.07550	0.9
142.47145	0.8
145.02847	2.9
145.04903	1.7
147.04417	32.2
156.13841	8.3
163.03951	1.6
165.05476	2.4
174.14912	16.8
174.16406	0.8
177.05501	5.2
177.11218	18.4
195.12286	1.4
205.12276	1.3
221.13870	5.2
223.13295	1.5
239.14842	4.3
278.94598	0.8
279.12747	0.8
283.17523	3.4
309.09677	0.9
312.12140	1.2
327.20160	79.0
328.20340	1.1
507.18683	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	506.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78294	1.2
67.05495	1.8
69.03454	1.2
81.07057	2.3
85.02911	5.2
87.04474	1.4
95.08659	1.6
97.02899	1.9
97.06526	1.5
104.10764	3.3
107.08628	1.8
123.04399	1.4
127.03985	1.9
133.10130	1.5
135.04405	1.4
147.04483	1.2
163.03915	8.5
179.08597	1.7
180.08751	1.6
183.08160	2.2
184.07391	1.4
193.06438	2.1
196.05257	4.1
197.05983	3.7
207.04446	13.4
211.07526	9.0
221.06024	5.1
221.22897	1.4
222.06787	1.4
223.07628	1.8
225.09082	3.4
235.11183	3.5
237.09209	1.6
239.07066	33.4
242.05753	8.4
248.08421	1.9
253.08612	5.9
254.09401	8.1
255.06596	1.6
257.08096	38.9
263.10706	10.9
263.31476	1.6
268.07419	1.4
271.09662	14.2
285.11218	4.9
286.12012	100.0
295.13382	10.4
327.15808	7.2
335.19089	1.2
396.79337	1.4
506.34930	1.8
519.30664	1.1
528.54242	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	506.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79592	0.3
53.03940	1.0
54.65948	0.3
55.05513	0.4
65.03926	1.2
67.05492	1.2
69.07059	0.9
74.06091	0.4
79.05500	3.9
80.05006	1.6
81.03410	0.9
81.05791	1.4
81.07056	1.0
82.06586	2.2
83.59772	0.3
85.02862	0.4
89.03911	1.0
91.05482	4.5
92.04996	1.1
93.05786	1.3
93.07052	8.6
94.06573	12.3
95.04963	1.3
95.06734	0.5
95.07355	12.3
95.08610	1.8
96.08135	24.2
97.06526	2.2
103.05492	1.9
105.05788	0.8
105.07062	0.4
106.06548	1.1
106.07236	0.4
107.07333	0.8
107.08559	0.6
108.04465	0.7
108.08122	17.5
108.08866	0.8
109.08878	1.6
110.05971	0.4
110.09686	36.9
116.04998	4.1
118.06541	1.7
119.08559	0.6
120.04472	3.7
120.08115	26.8
121.06524	1.1
122.06038	5.0
122.09679	0.7
123.06812	1.7
124.07595	6.3
131.08560	0.5
132.08098	0.7
134.06009	1.7
136.07574	12.4
138.05530	4.5
138.09142	50.1
144.03374	0.7
144.04451	8.3
145.02878	0.5
146.06017	4.8
147.04413	0.4
148.03909	2.0
148.07581	8.7
150.05478	1.7
150.09142	1.2
152.07034	1.1
154.08688	0.5
160.03951	1.5
160.07553	0.5
162.05531	4.1
163.03899	0.4
164.07069	1.4
166.05031	4.8
166.08646	100.0
167.08983	0.7
170.09639	0.4
172.03940	24.2
174.05515	1.9
178.05034	1.1
180.06625	1.0
182.09714	0.7
183.09160	0.9
184.07719	0.5
184.09920	1.0
186.05510	0.6
186.09222	0.5
188.07143	1.0
190.04997	14.8
192.06590	0.5
192.08151	0.4
193.07558	0.4
194.08359	0.6
195.09241	2.0
196.07607	0.3
196.09995	1.4
197.10767	2.0
198.07831	0.6
198.11510	0.6
199.12367	0.7
207.09190	0.6
209.07074	0.3
209.10690	3.3
210.09340	0.7
210.11475	0.9
211.08798	1.8
211.12326	1.4
212.09468	3.2
213.10236	2.2
216.06589	1.9
218.04472	0.5
219.09138	0.5
220.07747	0.6
220.09813	0.4
221.10982	0.6
222.07704	2.3
222.11566	1.3
223.08658	3.7
223.12291	1.5
224.09413	5.2
225.10222	5.1
225.13802	0.6
226.10893	1.9
227.08139	0.9
227.11838	2.1
233.10786	0.8
234.11607	0.5
235.08664	2.2
235.12236	0.8
236.09407	3.4
237.10234	19.9
238.07294	0.4
238.10995	3.7
239.08220	2.8
239.11789	4.8
240.08954	0.7
241.09746	2.9
245.12846	0.7
248.09412	0.6
249.10219	2.8
250.07303	2.1
250.11092	1.3
251.08043	3.0
251.11790	8.8
252.08896	3.9
252.12575	1.7
253.09691	6.3
253.13370	1.4
254.10422	0.7
255.07674	0.4
255.11307	3.4
257.12878	0.5
261.10287	1.0
262.11050	0.7
263.08145	0.7
263.11774	1.9
264.08847	2.0
265.09732	22.5
266.10471	3.4
267.08102	0.7
267.11264	4.5
268.08447	1.4
269.09314	0.5
269.12811	1.3
271.10846	3.3
273.12372	2.9
277.09726	1.1
278.06671	3.1
278.10464	0.7
279.11304	9.5
280.08481	3.4
280.11990	1.3
281.09207	2.2
281.12848	2.6
282.10141	0.7
283.10797	5.1
285.12402	2.5
289.09790	1.3
291.11188	0.7
293.09216	20.5
294.09949	4.0
295.10715	1.9
296.11615	1.3
297.12341	6.6
299.10248	2.6
299.13638	0.6
306.09784	0.6
307.10767	3.6
309.09180	0.6
309.12366	5.6
311.10291	3.8
312.11139	1.5
313.11841	4.9
316.14502	0.7
322.09378	0.5
323.10352	1.6
324.11041	0.6
325.11838	16.2
326.12308	0.4
327.13562	1.0
335.10266	11.5
335.14200	0.7
339.09766	1.0
340.10571	6.9
340.14099	0.3
341.11322	27.6
343.12943	1.2
353.11328	30.8
371.12454	0.5
390.17923	0.4
400.16565	0.5
410.21133	0.5
416.19666	0.9
418.17773	1.0
432.19131	1.3
433.16388	1.2
434.20804	0.7
436.18741	1.1
438.20395	1.2
442.17459	0.9
444.19254	0.9
446.17139	1.0
450.20172	0.5
460.18680	5.9
462.20313	0.6
464.18121	1.2
470.16806	1.0
474.16748	0.8
478.19748	4.1
488.11053	0.7
488.18198	9.2
506.19238	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	506.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17372	0.2
61.02918	0.4
65.03935	0.4
69.03428	1.3
70.63764	0.7
72.62888	0.3
74.56172	0.2
81.03418	0.6
85.02910	2.8
91.05478	5.3
97.02352	0.3
97.02897	2.9
99.04425	0.3
109.02868	0.3
117.86734	0.2
119.04949	14.7
127.03922	0.5
145.04988	0.6
147.04413	100.0
148.04745	0.4
165.05482	1.2
249.07152	0.3
266.58401	0.3
291.08676	0.5
309.09726	6.3
310.19312	0.3
311.55402	0.3
324.84024	0.3
471.15326	0.4
512.53516	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	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54062	1.3
54.97820	1.2
55.05512	3.5
57.07092	1.3
67.05490	7.1
69.07070	5.4
69.60957	5.3
69.61372	2.5
79.05495	6.3
81.07069	13.2
83.08632	1.8
91.05470	8.2
91.49261	1.2
93.07055	12.9
95.08614	16.4
97.06536	3.1
105.07037	17.7
107.08607	16.9
109.06531	3.3
109.10159	7.8
111.08093	2.1
117.07011	2.2
119.08589	25.5
121.06504	3.4
121.10145	12.7
123.08073	3.2
123.11713	2.7
125.09625	1.5
129.07094	1.5
131.07747	1.5
131.08562	9.3
133.10133	18.7
135.08054	1.9
135.11719	4.8
137.09642	5.0
143.08574	4.6
144.09308	1.5
145.10143	16.0
147.11687	11.5
149.09593	3.5
149.13271	3.7
151.11221	1.9
156.09366	1.8
157.10101	5.7
159.11697	11.9
161.09631	3.9
161.13252	8.1
163.11172	3.1
163.14825	5.7
165.09123	1.8
167.10742	1.3
169.10164	1.3
171.11719	3.8
173.09648	1.6
173.13286	8.8
175.11253	1.8
175.14853	11.5
177.16397	4.6
183.11682	1.4
185.13255	7.1
187.14845	14.8
189.12961	1.3
189.16393	4.4
191.14345	5.3
197.13271	1.5
199.14838	4.1
201.16402	22.5
203.14339	13.6
203.17976	5.8
205.15944	10.9
211.14832	2.4
213.16397	3.8
215.14240	1.2
215.17979	4.9
217.15956	2.7
219.17375	2.3
220.24782	1.3
221.15404	5.7
225.16550	1.7
229.16002	2.2
235.16995	4.4
239.16396	10.3
241.19582	2.9
243.21086	2.0
247.16992	8.9
255.21083	5.1
257.22812	1.4
267.20819	1.5
268.38397	1.4
269.18991	1.4
301.21866	1.9
303.23419	1.8
318.01294	1.6
362.25400	1.5
363.25424	1.6
389.27112	2.5
405.31552	4.2
423.32654	11.3
441.33652	6.5
451.32288	2.0
459.34729	100.0
460.35056	2.5
469.32916	3.4
472.07986	1.3
474.78018	1.5
487.34027	1.6
505.35092	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	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.05507	12.4
57.03441	7.3
57.70549	1.7
59.04997	4.7
59.62770	1.5
60.54136	1.7
65.03954	2.9
67.05511	100.0
69.07076	6.8
71.05006	2.9
71.59793	1.7
72.08186	2.8
79.05506	22.5
81.07066	29.2
83.08639	9.0
84.37154	1.8
85.06544	3.9
91.05482	33.1
93.07048	30.6
95.04974	4.8
95.08619	22.0
97.06557	3.9
97.10188	3.5
99.08081	2.9
104.10781	2.3
105.07035	33.5
107.08605	14.9
107.90025	2.0
109.06511	1.8
109.10164	71.7
111.08113	3.9
117.07056	9.1
119.08586	35.9
121.10148	11.6
123.08115	1.9
123.11732	2.3
125.09691	2.8
129.05478	2.4
129.07008	5.0
131.08556	14.1
133.10150	22.1
135.08031	3.9
135.11685	10.6
137.09644	3.1
142.07835	1.8
143.08566	5.9
145.10110	9.7
147.11676	19.9
149.09547	1.9
149.13287	7.6
155.08632	1.6
155.10672	5.8
157.10121	4.9
159.11726	10.0
161.13274	21.1
163.11234	3.3
163.14775	2.7
167.09712	1.7
170.10793	2.2
171.11681	6.5
173.11766	21.0
173.13280	6.9
175.14847	8.4
179.14352	1.9
185.13277	6.9
187.14900	3.3
189.11308	4.2
199.14717	2.5
227.12860	6.7
229.14374	49.7
231.21181	3.6
241.19511	18.7
243.21146	2.0
259.20584	42.8
277.21960	3.4
315.23227	3.6
333.24261	23.0
361.93152	2.0
399.29062	2.2
487.34283	10.9
505.35770	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	29.0
65.45467	4.8
67.05492	27.0
69.03437	11.2
69.07081	28.9
69.88992	16.1
69.89396	11.4
79.05489	32.6
81.07063	54.6
83.04976	6.6
83.08622	16.6
85.02914	10.8
87.11344	5.3
91.05486	37.0
93.07041	69.9
95.04955	12.3
95.08611	68.7
96.75410	4.6
97.02802	4.9
97.06529	13.9
99.08092	18.5
103.05470	6.6
105.07037	62.9
107.04977	5.4
107.08605	83.8
108.08131	6.4
109.06535	17.0
109.10155	44.6
111.08077	9.2
117.07039	13.6
119.08592	100.0
121.06506	14.3
121.10141	69.2
123.08073	13.0
123.11732	18.5
125.06025	6.4
125.09660	9.4
127.03926	10.2
128.06151	5.1
129.07024	6.0
129.09160	6.1
131.08591	42.3
133.06505	7.8
133.10133	76.4
135.08070	17.7
135.11697	33.0
136.07594	6.5
137.06009	5.5
137.09621	9.8
139.07591	5.7
139.11217	6.0
141.46832	4.7
142.07803	10.5
143.08585	20.7
144.09451	5.8
145.06514	6.7
145.10126	65.8
147.04388	8.8
147.08081	13.8
147.11713	48.4
149.09619	17.1
149.13255	18.2
155.08559	6.0
156.09364	8.3
157.10173	37.2
159.11705	51.0
161.09653	24.9
161.12070	5.0
161.13216	27.5
163.03905	9.4
163.11253	23.8
163.14815	30.0
165.09108	7.6
167.10764	10.2
169.10139	10.0
171.11703	36.2
173.09599	7.3
173.13281	36.4
175.11206	16.3
175.14880	20.1
177.12694	5.5
177.16440	6.3
179.10648	6.8
181.10150	6.2
183.11729	17.9
185.13271	30.7
187.11172	8.4
187.14839	29.7
189.12729	14.8
189.16373	33.5
191.14368	14.7
191.17850	5.9
193.08618	6.7
193.12263	15.0
195.11725	7.8
197.13254	17.3
199.14893	27.8
201.12753	7.9
201.16432	27.4
203.14368	16.2
203.18024	22.8
205.12256	6.9
205.15907	10.1
207.13908	6.2
209.13461	6.5
209.15346	7.7
211.13242	11.8
211.14943	12.6
213.16362	6.1
215.14340	9.2
215.17949	7.2
217.15915	10.1
219.13744	8.2
221.15315	10.4
223.14970	6.8
225.16347	5.9
235.16983	5.5
249.18610	9.9
269.22736	9.0
301.21484	7.4
323.23581	5.7
393.22961	6.4
393.31488	14.7
405.31461	17.5
411.32672	7.8
421.31088	20.7
423.32611	26.9
433.25586	5.9
433.31079	11.4
439.32104	34.5
441.13092	9.6
441.33707	11.3
445.29514	9.9
451.32159	42.1
459.34503	11.5
469.33762	27.5
487.30597	22.9
505.31461	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	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.05513	20.0
55.13864	2.8
57.03428	12.2
57.07068	4.1
59.04992	6.1
60.60564	3.6
67.05511	100.0
69.07064	9.3
69.28092	2.9
69.59498	7.6
69.59894	21.3
71.08654	4.6
79.05487	26.3
79.23925	3.1
81.03400	3.5
81.07063	33.4
83.08610	12.7
85.06538	5.1
90.13873	3.9
91.05476	33.4
93.07058	35.4
95.04950	8.0
95.08618	24.4
99.08109	5.1
105.07031	33.6
107.08588	25.4
109.06538	4.0
109.10164	61.5
111.08127	3.5
117.07040	9.7
119.08585	38.5
121.10147	20.0
125.09724	4.3
129.07045	6.0
131.08600	17.9
133.10156	24.2
135.11697	12.2
137.09688	4.6
143.08548	9.4
145.10118	12.1
147.11682	26.0
149.13251	6.4
157.10191	8.1
159.11676	15.4
161.13255	16.7
163.03871	3.8
171.11641	7.0
173.11732	15.0
173.13278	14.4
175.14832	13.8
180.87621	3.6
185.13242	11.8
187.14867	8.4
189.11082	4.4
203.14404	6.3
205.15912	4.1
211.43607	4.1
215.17961	3.5
229.14355	46.9
231.21017	7.3
241.19534	23.9
249.14894	6.3
259.20605	41.8
307.93356	3.3
333.24286	22.7
408.01709	3.3
441.33533	15.1
487.33908	15.4
505.35385	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
55.05511	8.9
58.88472	7.4
67.05502	14.7
69.07072	11.7
70.30364	13.6
70.30733	16.6
78.04560	7.2
78.19250	7.3
79.05495	20.2
79.34722	8.6
80.86468	6.9
81.03410	9.9
81.07053	46.1
83.08618	7.2
91.05495	26.4
93.07043	49.0
95.04988	8.4
95.08605	46.5
97.06534	10.7
98.20834	9.2
99.08085	17.7
104.08440	7.2
105.07049	67.8
107.08588	49.7
109.06496	13.3
109.10194	18.8
117.07054	8.1
119.08590	100.0
121.10163	38.0
123.08089	7.4
123.11811	9.0
131.08601	46.7
133.10149	57.3
135.11691	28.9
137.09561	7.5
143.08546	17.3
145.10098	51.2
147.11691	72.4
149.09622	13.4
149.13293	15.3
157.10123	21.7
159.11717	47.8
161.09663	10.6
161.13263	19.5
171.11740	13.3
173.13304	43.0
175.14873	21.8
177.16553	7.5
185.13243	15.1
187.14828	71.7
189.16394	11.6
191.14397	21.7
199.14757	11.5
201.16417	83.2
203.14366	15.3
203.17917	10.1
205.15994	16.2
212.74457	8.2
213.16408	11.7
215.17816	8.1
217.15984	9.2
219.17458	18.8
221.15436	28.7
235.16980	8.5
314.80844	9.9
318.35269	6.8
346.99939	7.2
387.90244	7.7
388.92749	8.0
393.31741	8.2
399.46951	8.1
405.31531	23.5
411.32816	13.3
423.32678	36.0
441.33627	22.3
448.86337	8.0
459.34152	9.9
469.33087	14.7
474.16718	10.6
487.34442	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	505.3529
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.13587	5.8
55.05510	12.5
56.37257	6.4
62.77500	5.7
67.05504	11.9
69.07056	13.7
69.54372	49.2
79.05474	17.3
81.07060	33.3
84.01884	6.2
87.71281	5.4
91.05479	26.3
93.07039	31.3
95.04968	9.8
95.08597	44.8
97.25760	6.5
98.20732	7.8
105.07040	54.4
107.08601	45.2
109.10171	23.7
119.08595	98.4
121.06505	12.4
121.10137	25.8
123.11720	12.8
128.92545	6.8
131.08585	46.3
133.10149	52.3
135.08112	13.6
135.11705	14.4
143.08614	8.9
145.10121	65.3
147.11670	41.0
149.09621	7.8
149.13246	16.6
157.10109	16.5
159.11731	43.5
161.09610	9.5
161.13264	21.0
163.11203	6.7
163.14789	25.4
171.11661	12.1
173.13269	51.4
175.14809	46.7
177.16350	20.8
185.13342	20.2
187.14848	65.3
189.16360	18.0
191.14328	100.0
191.17964	12.3
199.14880	11.3
201.16396	80.4
203.14313	24.1
203.17996	53.8
205.15942	11.6
213.16365	16.7
215.17876	12.8
217.15814	9.3
219.17447	8.0
221.15373	52.1
221.19058	7.9
229.19611	9.9
239.16391	9.2
247.14775	6.7
247.16899	30.4
405.31332	16.9
423.32587	37.4
425.33929	7.4
441.33661	12.8
451.31906	14.2
469.33298	15.9
474.16925	8.4
530.54736	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	6.5
55.01842	6.2
55.05516	29.0
55.59253	5.2
57.07080	7.4
67.05510	43.9
69.03429	29.2
69.07072	44.0
70.60678	16.3
70.67280	5.9
73.20651	5.9
79.05486	26.1
80.98597	5.3
81.03419	19.5
81.07062	79.4
83.04958	21.0
83.08611	18.1
85.02907	22.3
85.06538	16.4
87.00800	9.1
91.05483	39.2
93.07048	65.4
95.04967	19.0
95.08614	97.6
97.02910	13.1
97.06564	13.4
97.10195	10.5
99.08121	8.0
103.05451	7.4
105.07036	83.5
107.04956	9.0
107.08601	84.3
109.02886	10.0
109.06525	15.1
109.10168	52.4
111.04436	14.9
117.03339	6.4
117.07000	15.9
119.08596	100.0
120.08125	6.7
121.06477	16.8
121.10134	55.7
123.08064	16.8
123.11726	30.1
125.09663	7.0
127.03912	8.1
128.06149	7.1
129.06978	7.3
130.07774	6.1
131.04918	8.5
131.08569	60.9
131.13698	6.1
133.10139	68.3
135.04393	6.9
135.08043	15.5
135.11682	23.9
137.05978	10.9
137.09641	13.1
137.13260	12.9
142.07785	8.3
143.08554	29.1
144.09381	6.6
145.02805	9.2
145.10144	74.7
147.08012	15.2
147.11700	62.4
149.09590	9.0
149.13260	27.4
151.11177	7.4
151.14847	9.4
155.08539	9.1
157.10118	33.1
159.08064	11.0
159.11690	59.5
161.09628	12.5
161.13255	40.2
163.03920	67.5
163.14807	22.1
165.09114	11.6
166.08658	11.3
167.08629	5.5
169.10136	15.5
171.08127	6.1
171.11703	34.4
173.09573	7.5
173.13249	39.3
175.14870	38.1
177.12665	7.0
177.16388	25.0
179.10716	9.0
181.10162	6.9
183.11751	18.6
185.13295	33.3
187.11107	9.0
187.14841	61.5
189.12779	13.3
189.16383	24.1
191.14323	16.3
191.17966	6.7
197.13277	6.8
199.11096	11.9
199.14809	24.0
201.12686	8.4
201.16393	75.0
203.14345	27.8
203.18016	34.5
205.15895	31.7
211.14847	7.4
213.16438	17.9
215.14255	5.7
215.17918	12.7
217.15913	17.3
219.17487	6.8
221.15445	15.6
223.16951	7.7
227.17830	5.6
229.15865	8.9
229.93440	5.3
247.17018	31.3
263.13956	6.6
274.13007	6.6
315.59634	5.5
373.27237	7.2
383.29288	13.6
392.25003	5.5
405.26254	50.8
405.31549	22.7
407.32565	7.0
423.32458	28.1
441.33710	35.3
451.32028	15.8
469.33594	13.0
487.30597	23.6
505.31076	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
55.05500	12.3
67.05502	18.2
69.07092	13.9
69.53743	73.7
79.05525	26.2
81.07080	32.1
82.58730	9.4
91.05498	22.3
93.07068	46.1
95.08629	43.2
99.08109	16.7
105.07028	80.7
107.08608	75.7
109.06514	10.2
109.10185	24.2
118.53116	10.1
119.08595	100.0
121.10178	59.6
123.08137	17.6
125.09599	12.6
131.08577	66.8
133.10155	71.2
135.11748	22.2
143.08598	16.4
143.34418	10.2
145.10117	55.2
147.11703	91.7
149.13213	17.2
157.10138	27.3
159.11653	63.7
161.13333	27.8
163.03972	34.1
163.14969	11.5
166.08701	29.5
169.10127	10.3
171.11638	15.5
173.13345	43.1
175.14905	32.4
177.16479	25.0
185.13252	25.5
187.14854	53.1
189.16440	23.0
191.14449	13.2
197.35561	10.8
199.14853	33.8
201.16399	93.8
203.14355	10.9
203.17905	11.7
205.15938	27.0
215.18057	12.3
219.17500	24.7
221.15453	11.7
224.65808	12.3
405.31512	25.2
411.28888	25.0
423.32382	37.8
427.13861	10.0
451.32178	22.4
469.33115	29.1
527.24976	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	505.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.5
55.05509	17.0
67.05507	29.0
69.03443	13.5
69.07056	20.0
69.57060	42.8
70.33624	8.9
79.05489	41.9
81.07053	61.0
83.04980	30.2
83.08576	10.4
91.05466	34.4
93.07038	37.8
95.04964	12.0
95.08603	51.5
103.05449	7.9
105.07030	80.8
107.08606	85.2
109.06525	10.4
109.10158	32.6
116.10729	10.6
117.06963	10.1
119.08595	99.4
121.10143	45.1
123.08049	13.2
123.11733	16.8
125.09685	12.7
127.04017	8.0
129.07091	9.4
131.08586	48.0
131.73801	8.4
133.10146	69.8
135.08005	11.1
135.11697	21.5
143.08611	14.2
145.10132	62.2
147.04395	9.6
147.11703	52.1
149.09622	14.1
149.13307	20.4
157.10135	22.7
159.11697	52.7
161.13242	31.5
163.03905	15.1
163.11194	11.1
163.14822	28.9
169.09981	8.6
171.11710	18.8
173.13237	44.1
175.14807	38.7
177.16399	21.7
183.11656	10.1
185.13298	18.0
187.14810	57.2
189.16376	36.4
191.14282	23.7
191.17950	11.9
199.14844	30.9
201.16418	100.0
203.14391	13.6
203.17957	49.4
205.15965	50.8
209.00238	8.3
213.16313	12.1
214.18138	40.2
215.18376	48.6
217.15829	20.6
219.17516	12.7
221.15436	21.8
229.19679	10.0
245.15596	9.2
247.16916	32.3
253.44402	9.2
259.17078	9.2
380.10208	9.6
405.31476	33.4
423.32486	30.2
433.30603	11.5
441.33627	15.3
451.32147	29.7
469.32886	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	505.3528
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05500	10.9
55.43918	3.7
57.03443	4.0
57.07064	4.3
67.05511	14.9
69.03442	3.8
69.07071	14.0
69.29018	13.8
69.29453	21.7
79.05502	17.5
79.97313	4.4
81.07065	43.5
83.04987	4.5
83.08625	7.5
87.00879	3.7
91.05488	25.3
93.07045	37.5
95.04948	5.5
95.08603	57.6
95.29314	3.7
96.92470	3.3
97.02901	4.2
97.06548	7.7
97.16167	3.6
105.07039	67.8
107.08599	60.9
109.06528	9.9
109.10163	26.8
117.07014	7.3
119.08591	87.3
121.06523	8.1
121.10177	36.9
123.08092	7.5
123.11731	14.0
125.09577	4.1
129.07014	5.2
131.08574	51.9
133.10130	62.3
135.04437	7.0
135.08133	9.3
135.11705	19.7
137.09648	8.3
143.08554	20.5
145.10130	77.8
147.11702	39.2
149.09631	7.9
149.13271	15.6
149.76741	4.1
157.10153	16.6
159.11710	59.7
161.09669	10.5
161.13258	24.5
163.03920	13.7
163.11206	9.3
163.14859	31.4
165.12796	5.1
169.10112	6.7
171.11696	18.6
173.13272	64.8
175.11261	3.7
175.14833	42.9
177.12782	4.7
177.16415	16.2
179.10692	3.9
180.28963	3.6
183.11755	6.6
185.11853	4.1
185.13177	18.7
187.14828	76.0
189.12761	8.2
189.16418	24.5
191.14325	98.8
191.17960	11.1
199.14865	18.6
201.16373	100.0
203.14377	24.7
203.17976	60.7
205.15871	19.1
211.14960	6.2
213.16478	20.2
215.14508	4.3
215.18025	17.0
217.15886	10.2
217.19595	5.0
219.17502	8.5
221.15350	59.0
227.18008	6.3
235.17043	6.2
238.08643	17.4
239.09052	21.0
239.16483	10.5
241.19490	5.4
247.16931	28.9
252.10236	10.8
253.10983	74.7
254.11345	90.3
255.12164	9.1
308.93185	3.8
325.12888	4.1
375.29831	4.1
387.30157	4.8
393.31552	9.0
405.31528	17.4
407.32944	7.1
421.30768	4.9
423.32632	45.9
425.34161	10.3
439.32013	10.0
441.33572	14.9
451.32047	16.2
469.33218	14.6
487.30359	6.6
505.17175	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	505.3526
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.40395	21.3
69.07058	45.5
77.47942	21.1
79.05479	28.7
81.07066	23.2
83.04984	30.2
93.07048	27.2
95.08583	31.1
98.21545	35.8
105.07014	31.7
105.72223	23.5
107.08620	40.9
117.07063	23.4
119.08575	40.6
121.90483	23.7
122.25469	22.0
133.10100	32.9
147.04422	100.0
147.11679	30.9
189.16498	24.3
197.95633	26.6
201.16496	49.9
257.15369	70.2
428.54181	23.3
459.34650	37.6
505.34311	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	505.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.8
55.05508	13.6
57.58581	5.5
59.11200	5.8
59.16063	4.9
60.01427	5.7
67.05504	22.7
69.07074	24.5
69.55519	41.6
79.05496	22.6
81.07059	53.6
83.04990	9.4
83.08630	6.2
85.06572	5.0
91.05473	24.2
93.07060	47.2
95.04973	9.9
95.08607	51.7
97.06522	5.3
99.08080	10.3
105.07034	76.3
107.08604	56.8
109.06444	5.9
109.10150	35.5
113.34325	5.8
117.07023	16.7
119.08585	95.2
121.06595	6.0
121.10178	37.2
123.08067	6.2
123.11726	22.5
129.07036	8.8
131.08574	63.5
133.10139	50.7
135.08066	9.9
135.11722	21.8
137.09644	15.1
143.08591	13.9
145.10146	72.1
147.11716	49.3
149.09599	9.2
149.13272	16.9
152.07042	10.4
157.10112	26.1
158.10930	7.8
159.11710	55.1
161.09607	11.8
161.13290	35.7
163.03906	16.0
163.11183	6.7
163.14880	23.5
165.09132	6.2
169.10201	8.4
170.10918	5.9
171.11702	11.0
173.13295	58.2
175.11406	7.6
175.14807	50.6
176.90175	5.5
177.16397	37.0
185.13251	20.4
187.14803	100.0
189.12843	6.8
189.16426	28.2
191.14276	33.6
191.18074	12.0
193.15999	6.7
199.14865	27.9
201.16371	72.1
203.14371	36.8
203.17961	69.8
205.15915	64.5
207.17474	6.4
209.13451	5.5
209.15375	24.0
213.16360	11.8
215.18082	7.5
217.15878	15.3
219.17513	9.5
221.15312	32.8
221.18854	6.8
231.17546	8.1
239.16518	11.2
247.16991	16.9
271.06396	6.2
393.31482	9.8
405.31699	27.3
407.33176	8.9
423.32382	26.4
439.31790	10.9
451.32092	20.6
469.33411	12.7
505.31876	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	505.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.6
56.72220	7.2
62.98732	7.2
64.94114	7.6
67.05502	28.8
69.07057	20.1
69.31885	7.4
69.76066	45.0
79.05487	17.8
81.07055	54.0
83.04970	11.7
83.08618	9.1
88.47310	7.8
91.04969	7.1
91.05478	44.4
93.07049	44.7
93.22650	7.4
95.08611	79.5
95.89895	7.1
99.08065	11.1
105.07038	83.3
107.08591	63.0
109.06526	9.7
109.10160	33.8
117.07010	24.4
119.08582	100.0
121.06510	10.9
121.10161	55.5
123.08051	9.9
123.11786	10.2
126.17537	7.1
129.06982	8.2
130.24391	6.9
131.08568	53.7
133.10132	59.4
135.08076	16.4
135.11674	30.9
137.05896	10.1
137.09631	23.2
143.08542	20.4
145.10129	75.9
147.11682	61.0
148.12128	8.4
149.13284	19.2
157.10139	21.2
159.11697	67.6
161.09586	10.9
161.13257	35.6
163.03867	8.5
163.14833	22.9
163.19516	8.4
165.09174	13.3
171.11739	18.7
173.13277	58.2
175.11205	8.0
175.14893	47.7
177.12721	16.0
177.16441	32.2
183.11659	14.8
185.13281	24.0
187.11261	12.2
187.14861	68.8
189.12701	11.2
189.16385	25.6
191.14294	94.7
191.18019	19.9
199.14769	19.3
201.16423	57.3
203.14357	54.1
203.16353	9.6
203.17966	57.4
205.15858	54.2
213.16280	14.1
217.15843	20.7
219.17468	12.0
221.15395	37.8
229.15887	9.7
247.16861	12.2
248.50230	7.9
313.67715	9.0
323.27554	8.7
393.31549	12.8
405.31430	21.9
409.49176	9.8
411.32562	12.4
421.30045	8.2
423.32538	28.0
441.33728	13.8
451.32190	16.7
469.33060	25.5
505.31396	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	505.3162
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
53.03939	4.2
55.01870	3.6
55.05503	6.3
56.89335	2.5
57.07056	2.9
67.05504	13.7
69.03426	7.7
69.07070	11.0
71.04969	2.7
71.59132	3.4
79.05515	12.3
81.03424	3.3
81.07050	18.6
83.04951	4.7
85.02907	6.4
91.05471	19.4
93.07044	15.3
94.76749	3.4
95.04977	6.9
95.08618	26.2
97.02914	5.0
97.06532	8.8
97.10222	2.3
99.08084	5.7
105.07034	34.4
107.04941	5.6
107.08598	22.9
109.02927	3.3
109.06544	4.3
109.10143	13.9
111.04436	3.7
111.08092	3.1
117.03427	2.7
117.07000	7.7
119.08590	37.0
121.02888	4.9
121.06519	22.9
121.10140	18.5
123.08093	6.2
123.11697	4.2
125.06044	3.2
127.03915	2.8
129.07013	5.4
130.06493	2.8
131.08606	22.2
133.06483	5.0
133.10144	28.6
135.04424	6.3
135.08069	19.3
135.11691	8.6
136.07610	4.5
137.05945	5.1
137.09601	4.8
142.07788	2.8
143.08559	9.8
145.02856	5.6
145.06433	4.1
145.10141	33.2
145.80887	2.6
147.04436	4.2
147.08089	6.6
147.11694	13.5
148.07587	2.9
149.05992	12.0
149.09625	6.8
151.07596	3.3
156.09232	4.1
157.10159	16.3
158.10901	3.7
159.08087	7.6
159.11687	24.4
161.09659	7.0
161.13269	11.0
163.03912	30.5
163.07613	5.4
163.11134	2.9
163.14828	3.3
169.10101	5.3
170.10855	2.6
171.11699	14.3
173.09653	6.1
173.13295	18.9
175.11215	7.8
175.14838	10.6
177.12733	4.1
177.16440	3.8
181.10258	3.1
183.11684	9.5
185.09605	2.8
185.13254	9.2
186.10323	3.9
187.11166	7.3
187.14847	13.8
189.12752	13.5
189.16409	9.4
191.14384	3.6
193.15839	5.6
197.13351	5.5
199.11169	19.0
199.14854	16.3
201.12750	43.5
201.16432	5.1
203.14265	16.0
205.12271	2.8
205.15912	10.6
215.14313	7.8
217.15828	16.7
219.13823	11.1
221.15359	14.8
233.15434	4.1
237.16348	3.2
239.16371	3.5
245.15440	6.0
253.10983	4.0
254.11298	5.0
265.09769	3.2
281.09326	3.4
293.09232	5.0
311.10223	5.6
357.27277	2.9
371.12537	4.0
389.23306	8.5
413.23169	16.4
423.28604	5.0
433.26825	4.4
441.29739	3.3
446.17249	4.2
451.28375	9.6
469.28928	19.1
484.22092	3.1
487.30524	100.0
488.31339	3.1
506.19077	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	505.3163
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
53.03937	1.7
54.08281	1.3
55.05508	7.7
57.07073	3.3
58.44783	1.7
67.05507	11.9
69.03438	10.4
69.07083	12.8
69.45732	12.7
71.05005	2.0
73.16777	1.5
79.05497	10.3
81.03413	4.0
81.07057	23.8
83.04949	2.1
83.08620	6.9
85.02913	5.5
85.06541	2.4
86.07903	1.4
91.05491	16.4
91.06748	1.5
93.07049	19.7
95.04982	4.7
95.08611	31.1
97.02914	3.3
97.06538	5.8
105.07034	28.4
105.88346	1.8
107.08605	24.6
109.06522	5.2
109.10160	15.8
111.08109	4.5
117.07016	5.5
119.08592	32.5
121.06504	19.5
121.10163	17.1
123.08059	3.3
123.11683	6.1
128.06238	1.9
129.06979	3.6
131.08578	15.7
133.06465	1.6
133.10144	24.8
135.08069	14.5
135.11713	8.9
137.09708	2.1
137.13254	2.4
141.07018	1.9
143.08600	10.2
145.06517	2.5
145.10143	28.1
147.07994	7.9
147.11717	14.8
149.06006	9.6
149.09622	6.9
149.13275	3.5
151.11229	2.1
155.08624	1.8
156.09348	4.5
157.10138	11.9
159.08064	7.4
159.11690	19.4
161.09618	6.4
161.13287	9.5
163.03894	2.0
163.07553	3.3
163.11218	3.2
163.14839	4.3
169.10106	4.4
171.11723	12.7
173.09688	4.9
173.13283	14.4
175.11168	10.5
175.14825	8.0
177.12788	3.0
183.11743	8.4
184.12555	2.9
185.09613	3.5
185.13255	6.9
186.10420	4.5
187.11218	4.4
187.14806	10.4
189.12820	9.9
189.16397	6.6
191.14281	2.5
197.13321	6.2
199.11211	13.9
199.13039	1.9
199.14789	11.8
201.12756	39.3
201.16473	5.0
203.14369	12.7
205.15886	3.6
207.11638	2.1
211.14972	2.8
213.12831	2.2
213.16415	2.6
215.14317	7.2
217.15912	7.9
219.13821	6.4
221.15370	3.3
223.14877	2.1
223.17044	3.5
227.14211	2.6
233.15302	2.0
245.15405	4.5
346.12915	1.7
383.29202	3.4
387.26059	2.6
389.23242	7.4
389.28873	1.7
401.30389	2.1
405.26489	21.6
413.23096	10.9
415.26514	2.2
423.28668	3.9
424.28958	1.5
433.27777	2.3
441.33752	6.8
451.28400	6.5
459.34061	1.6
469.29300	12.1
487.30551	100.0
505.31665	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	504.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.9
55.05507	14.3
57.03437	6.1
57.07065	5.8
61.02922	7.3
65.03944	6.6
67.05176	6.5
67.05511	92.3
69.03423	3.7
69.07058	15.3
69.50304	22.6
71.04994	6.4
79.05064	6.0
79.05500	84.1
79.21554	3.2
81.07063	87.3
83.08611	5.3
85.02888	10.7
85.06532	9.2
91.05478	38.5
93.07058	90.2
95.04972	6.5
95.08612	53.8
97.02869	7.3
97.06515	3.2
97.10185	5.8
98.20696	3.7
99.08088	7.6
105.07041	30.6
107.08595	53.3
109.06532	3.9
109.10168	39.6
111.08040	4.3
113.09637	6.0
117.07033	18.8
119.08595	32.5
121.10151	69.1
123.08109	4.8
123.11717	19.8
125.09647	6.7
129.06964	4.7
131.08594	43.2
133.10158	28.6
135.11700	69.1
137.09653	3.9
137.13220	3.7
139.11180	3.4
145.10114	30.7
147.11696	20.1
149.09639	4.3
149.13292	33.6
151.11250	4.5
159.11714	31.0
161.13229	9.6
163.11238	4.6
173.13239	26.3
175.14880	4.2
187.14767	5.7
189.16484	3.9
205.15919	4.5
205.19525	15.0
215.17982	95.8
233.19009	100.0
234.19473	4.1
307.22641	11.2
325.23706	25.0
504.33914	4.4
518.51172	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	14.8
57.07097	5.5
67.05521	41.8
69.03397	7.5
69.07072	29.5
76.17466	5.7
79.05494	24.0
81.03417	6.6
81.07069	81.7
83.08620	7.0
85.02892	10.6
87.00809	9.8
91.05486	36.7
93.07052	91.5
93.73253	6.2
95.04958	8.7
95.08619	100.0
96.08990	6.3
97.02880	7.9
103.75541	5.5
105.01900	11.0
105.07040	90.3
107.08598	81.0
109.10171	94.9
119.08595	77.5
121.10136	43.7
123.11707	20.3
127.03902	9.6
133.10112	45.9
135.11714	53.7
145.04895	6.2
145.10127	9.7
147.11705	74.9
149.02417	12.2
149.13232	7.4
161.13303	26.9
163.03879	7.2
175.14821	11.6
193.56616	7.1
203.17963	64.2
221.15411	7.7
221.18784	8.7
222.15645	6.4
228.62486	5.6
229.61327	7.5
340.15646	6.8
468.33282	7.8
504.18347	6.6
504.33920	8.9
524.63293	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
54.60706	4.5
55.01894	5.6
55.05512	18.4
57.07079	5.3
67.05511	31.3
69.03432	16.7
69.07069	41.9
69.44265	13.9
69.44688	24.6
71.05011	8.9
73.02924	4.8
79.05496	19.3
81.03428	16.4
81.07069	100.0
83.08633	13.5
85.02914	31.7
87.00847	16.3
91.05458	29.0
93.07056	67.4
95.04990	7.1
95.08614	70.9
97.02911	25.9
99.04443	8.1
100.86513	4.6
105.01891	15.0
105.07037	77.0
105.07677	8.1
106.07388	5.8
107.08607	63.3
109.02897	11.0
109.06564	6.0
109.10167	69.1
119.08615	64.8
121.10151	43.8
123.11725	25.5
127.03905	25.8
131.08592	6.0
133.10164	43.0
135.08086	5.5
135.11710	46.4
137.13286	8.3
145.05016	5.9
145.10167	12.9
147.11699	59.6
149.13260	13.6
159.11765	7.8
160.40041	4.9
161.13252	16.0
163.14864	11.6
171.11662	6.5
175.14790	7.5
177.16481	7.5
203.17999	53.7
209.41293	5.2
211.60176	5.0
221.19093	12.5
231.05013	7.4
305.02997	5.1
456.31961	8.3
504.34628	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.4
55.01866	5.1
55.05523	19.8
57.07077	5.0
65.03932	3.5
67.05505	44.9
68.99792	4.3
69.03426	9.9
69.07069	32.5
71.04991	3.1
71.58877	3.8
79.05493	23.0
81.03401	10.3
81.07066	83.4
83.08599	5.8
85.02926	27.8
87.00837	13.0
91.05485	35.3
93.07050	71.4
95.05005	5.2
95.08609	88.1
97.02889	17.0
97.10146	4.3
99.04449	4.8
105.01884	15.9
105.07036	93.0
107.08607	74.6
109.02879	12.7
109.06516	5.6
109.10166	100.0
111.11662	3.7
117.07011	4.6
119.08590	79.6
121.10144	37.0
123.11695	24.5
127.03922	21.8
131.08546	7.1
133.10136	46.2
135.11702	48.9
139.11169	5.1
141.72710	3.0
145.04976	8.9
145.10130	11.4
147.11696	67.0
149.13159	3.3
152.77083	3.3
159.02982	7.2
159.11725	7.2
161.13292	27.7
163.14818	9.6
165.12750	4.0
175.14835	11.2
177.16377	4.9
185.13264	3.3
203.17944	72.7
221.15482	3.4
221.19009	9.2
231.04984	7.3
234.39308	3.1
249.18242	2.8
270.62341	3.4
346.61938	3.5
375.16257	3.0
415.16037	3.3
472.46893	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	504.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.05516	94.0
65.03945	2.3
65.06035	1.4
65.89792	1.3
67.05503	2.5
69.03424	5.2
69.95494	4.2
69.95914	2.7
70.06246	1.8
70.06602	24.0
73.02924	3.1
73.06564	17.7
73.47826	1.2
81.03425	3.6
81.07066	3.0
85.02911	6.6
87.00830	3.5
91.05450	1.9
91.07600	83.3
93.07071	1.4
95.04964	2.4
95.08622	2.0
97.02901	4.1
98.21478	1.6
105.01895	1.5
105.07054	2.2
107.08588	1.9
109.02898	2.8
112.07602	2.1
119.08551	2.0
121.02883	3.7
127.03896	4.2
132.55476	1.5
136.07605	1.4
145.06505	1.6
145.10168	1.2
146.03157	1.6
149.02356	100.0
150.02733	1.3
159.02866	1.6
162.05508	1.8
163.03835	2.5
167.03453	2.2
183.07899	1.4
188.48982	1.3
191.07076	1.8
201.05409	25.7
220.05237	2.6
221.08090	21.5
235.07576	3.9
239.09209	8.6
263.07135	5.1
274.13235	1.5
280.07394	1.8
323.09198	14.8
362.10284	2.9
468.27917	1.4
504.30313	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	503.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.05512	42.8
57.03459	1.8
57.07084	12.2
61.04312	1.5
61.85386	1.5
67.05509	13.5
69.03414	3.4
69.06723	2.4
69.07075	40.2
71.08630	9.4
71.60158	1.9
72.72815	1.5
79.05483	14.5
81.03419	100.0
81.07056	13.0
83.04980	2.9
83.08624	52.1
85.10197	3.2
91.05469	22.7
93.07051	9.0
95.04976	24.0
95.08611	7.8
97.02892	2.2
97.06546	2.5
97.10175	28.5
102.46000	1.9
103.05514	2.3
105.07039	14.3
107.04957	9.5
107.08599	4.6
109.06529	1.7
109.10142	3.2
111.04478	2.7
111.08093	4.7
111.11723	10.8
115.05480	2.3
117.07043	3.1
119.08590	10.9
121.06546	1.8
121.10143	6.7
129.06987	10.0
131.08563	9.7
133.06479	4.1
133.10132	13.7
135.11714	2.2
142.07811	3.1
145.10120	3.3
147.08110	4.1
147.11710	7.6
149.09618	4.8
157.10146	9.0
175.11198	9.9
193.12256	33.3
195.02298	1.9
223.52951	2.0
231.13806	2.4
249.14940	6.5
279.81390	1.8
503.37372	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3369
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03952	1.0
55.05507	3.4
55.96212	1.0
56.44304	1.1
57.07076	1.5
57.09238	0.9
67.05516	7.3
69.03449	1.6
69.07058	3.9
69.43636	8.1
74.74032	0.9
79.05497	7.4
81.03431	1.0
81.07069	13.2
83.04990	2.4
83.08633	1.7
85.06550	1.8
89.86079	1.0
91.05463	9.2
93.07064	12.9
95.04976	2.9
95.08614	15.6
97.06536	3.7
98.21435	2.0
99.08092	3.9
105.07039	22.7
107.08601	18.1
109.06526	3.1
109.10175	12.7
117.07033	3.7
119.08587	26.1
119.09457	1.4
121.06501	2.9
121.10160	12.8
123.08092	3.5
123.11696	2.8
129.07028	2.0
130.06520	1.3
130.07742	1.5
131.08592	11.6
133.06523	4.2
133.10138	23.1
133.11072	2.0
135.08080	4.7
135.11719	6.1
137.09631	1.9
142.07826	1.0
143.08601	7.0
145.10139	18.1
147.08037	1.8
147.11674	9.9
149.09631	4.1
149.13239	3.6
151.11205	1.5
155.08611	3.1
157.10152	7.0
159.08070	2.7
159.11723	11.1
159.30119	1.2
161.09648	12.3
161.13264	5.2
163.07553	1.9
163.11220	2.8
163.14851	2.9
169.10133	3.3
171.11694	5.2
172.12428	1.3
173.09717	2.5
173.13255	13.6
175.11218	2.8
175.14864	12.5
177.09152	1.4
177.16454	2.9
182.10916	1.1
183.11723	3.0
185.13297	4.9
187.11224	3.5
187.14835	20.1
189.12833	3.0
189.16380	10.2
191.14342	3.3
195.11752	2.3
197.13336	5.0
199.14841	7.6
201.12749	2.2
201.16454	2.1
203.12686	1.5
203.14310	5.9
205.15919	4.9
209.13281	2.5
211.14886	2.8
213.12807	2.6
213.16489	2.5
215.14362	8.5
217.15834	6.1
219.13805	1.5
223.14908	1.8
223.16948	1.7
225.16428	2.0
227.17976	1.4
229.15953	2.7
231.13889	3.6
231.17496	1.5
233.15385	10.4
235.16994	1.2
239.17976	1.4
241.15805	1.5
247.17081	1.4
251.16333	2.8
257.19080	2.6
261.17188	1.1
271.20502	1.3
279.17624	1.1
287.20230	1.4
313.21829	1.2
349.25287	1.5
367.26434	1.3
391.29782	1.6
403.30023	4.6
409.30804	2.1
421.31091	10.1
437.30734	3.1
439.32239	11.0
449.30527	9.8
455.31534	3.4
457.33197	15.0
467.31573	34.9
485.32672	25.8
503.33722	100.0
504.34372	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	503.3372
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05505	7.5
57.03442	4.2
57.07069	3.3
67.05502	11.7
69.03420	4.9
69.07074	16.9
69.78590	4.6
69.78990	11.0
71.41676	2.3
75.04514	2.4
78.78226	2.3
79.05481	13.2
79.27158	2.2
81.03405	5.2
81.07062	27.4
83.04966	3.9
83.08614	6.1
85.02909	6.5
85.06563	3.4
89.07550	2.1
91.05476	22.1
93.07041	29.6
95.04926	2.6
95.08600	26.5
97.02914	4.2
97.06530	5.9
97.10174	2.3
98.21378	4.2
99.04449	2.3
105.07033	43.2
107.08598	47.7
107.96741	2.4
109.06530	5.7
109.10173	17.9
111.04457	2.4
111.08101	2.4
115.05455	2.3
117.06998	7.8
119.08588	56.3
121.06523	3.6
121.10148	45.4
123.08073	7.8
123.11709	6.6
126.23989	2.6
127.03954	5.4
129.07024	3.5
131.08577	31.0
133.10132	58.0
135.08078	7.2
135.11697	19.7
137.09605	5.1
137.13188	2.3
142.07774	5.9
143.08556	16.5
145.10126	45.2
147.11708	48.4
149.09615	3.7
149.13275	7.5
151.11220	3.4
155.08496	4.0
157.10139	24.5
158.10910	5.7
159.08096	6.3
159.11688	40.8
159.87189	2.3
161.09689	5.6
161.11194	2.4
161.13251	17.8
163.11163	11.6
163.14838	4.5
169.10172	7.9
171.11711	27.8
172.12289	2.3
173.09523	3.7
173.13298	33.9
175.11182	4.8
175.14848	24.3
177.12793	4.2
177.16393	31.5
179.14243	2.8
182.10890	2.8
183.11687	8.3
185.13242	19.9
187.11250	4.0
187.14806	37.0
189.12709	6.3
189.16422	21.8
191.14314	4.9
191.17979	6.6
193.12233	3.2
197.13248	22.7
199.14851	9.8
201.12810	5.6
201.16394	17.0
203.14322	9.0
203.17770	3.1
205.15894	100.0
207.17465	8.8
211.14682	3.2
213.16364	5.4
215.14326	39.0
215.17902	7.9
217.15839	7.5
219.13760	4.7
219.17433	6.8
233.15381	16.7
235.16956	3.5
251.16498	4.1
255.76370	2.3
257.76489	2.1
261.14923	7.9
267.44421	2.4
279.15973	21.9
295.81631	2.6
353.28375	4.8
391.30023	5.0
403.29996	6.2
407.11060	2.4
409.31055	6.8
421.31177	15.6
431.29654	2.6
439.32095	25.0
449.30646	4.9
455.31561	7.5
457.33115	10.2
467.31628	29.1
485.32816	54.6
503.33463	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	503.337
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05503	3.4
57.07074	1.8
58.20757	1.4
59.05017	1.4
67.05503	7.5
69.07061	5.2
70.71745	3.9
79.05484	6.1
81.07057	13.5
83.04993	3.9
83.08604	2.9
87.06978	1.3
91.05463	6.5
93.07050	12.0
95.04980	1.6
95.08611	13.8
97.06540	2.8
99.08118	6.4
105.07034	18.7
105.07696	2.2
107.08589	19.1
109.06551	2.7
109.10163	16.2
109.58117	1.4
111.08066	2.1
111.79519	1.3
116.15821	1.2
117.07021	5.0
119.08586	31.5
121.06505	2.5
121.10142	15.9
123.08070	3.1
123.11733	3.9
128.06229	1.7
129.07053	2.3
131.08574	13.2
133.06502	1.8
133.10136	22.4
135.08078	4.5
135.11690	7.8
137.09647	1.8
143.08585	5.5
145.06505	2.2
145.10126	16.9
147.07967	1.7
147.11674	11.6
149.09592	2.7
149.13278	3.4
151.11174	3.0
155.08592	3.0
156.09305	1.2
157.10155	5.3
158.10919	1.9
159.08026	2.2
159.11674	9.8
161.09621	14.6
161.13252	5.6
161.14447	1.2
163.07539	3.7
163.11145	1.9
163.14833	3.7
167.05617	1.7
169.10141	3.2
171.11673	7.5
173.09642	2.7
173.13263	16.3
175.11200	2.7
175.14842	7.1
177.12741	1.4
177.16428	5.8
183.11789	3.5
185.09570	1.6
185.13274	6.8
187.11203	2.5
187.14830	31.9
188.11708	1.4
189.12811	3.0
189.16368	9.9
191.14359	6.8
195.11722	1.3
197.13333	4.0
199.11247	2.7
199.14790	3.0
201.12737	1.9
203.14363	3.9
205.12206	1.3
205.15889	12.7
209.13321	2.2
211.14911	2.8
213.16490	1.7
215.14346	13.6
217.15900	4.1
219.13771	1.7
223.17009	4.4
225.16402	1.4
229.16010	3.5
233.15350	22.8
243.17482	1.6
251.16429	7.7
287.19968	2.6
341.21155	1.3
385.27493	3.7
403.30170	2.1
421.30862	7.0
439.32144	11.8
449.30435	6.0
455.31689	3.8
457.33234	24.5
467.31848	12.3
485.32614	18.1
489.92554	1.4
495.69037	1.3
503.33722	100.0
504.34094	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	503.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.7
55.05509	16.6
67.05505	23.1
67.99240	5.7
69.03414	11.6
69.07085	14.5
70.06583	16.8
71.05009	8.6
71.59558	9.7
79.05499	25.0
81.03423	16.1
81.07069	59.7
82.06591	17.1
83.04993	10.3
83.08649	7.6
84.08097	6.0
85.02913	16.6
86.09708	13.5
91.05454	36.9
93.07055	50.1
95.04971	11.2
95.08618	69.7
97.02879	10.0
97.06518	12.9
97.10165	6.4
103.05439	5.3
105.07043	88.2
107.08600	67.2
109.02912	9.1
109.06538	14.8
109.10172	22.8
111.08096	6.4
117.07040	10.3
119.08594	100.0
121.02892	12.8
121.06484	13.0
121.10162	34.6
122.03653	9.2
122.05997	8.7
123.08062	13.2
123.11739	11.8
127.03950	7.9
127.69556	6.0
128.06235	10.5
128.07060	50.6
129.07204	17.5
131.08589	66.4
133.06531	7.8
133.10136	59.3
135.11705	17.3
137.02379	12.4
137.05997	97.5
142.07805	11.3
143.08591	33.2
145.02657	8.5
145.10114	90.9
147.04437	11.3
147.07990	8.6
147.11719	37.9
149.09666	10.0
149.13280	14.7
155.08572	10.0
156.09364	12.9
157.10158	45.7
157.73132	5.8
158.11000	6.3
159.11700	65.4
161.06044	10.8
161.09662	17.7
161.13298	39.5
163.03947	17.1
163.11211	8.9
163.14861	19.2
169.10181	14.4
171.11696	28.2
173.13297	69.8
175.07622	31.0
175.14848	39.6
177.16405	13.6
183.11732	18.7
185.13266	46.6
187.07603	10.5
187.14839	76.4
189.12784	9.5
189.16417	17.2
191.08644	6.9
191.14326	64.2
193.15854	8.2
197.13222	15.5
199.04683	6.4
199.14847	46.8
201.16402	28.7
203.14349	33.2
205.06508	8.3
205.15906	28.5
211.14763	11.6
213.16382	14.3
215.14243	9.1
215.18027	12.8
217.15863	33.9
219.08118	10.1
219.17494	13.6
220.11807	10.0
221.15344	39.1
227.18013	8.4
231.08298	7.1
247.07697	7.6
263.16388	8.5
279.10025	8.1
291.10315	7.8
311.12778	25.5
323.12720	10.9
332.13449	7.1
350.14572	10.5
351.14639	19.0
391.29974	11.5
403.29831	18.8
409.31024	20.9
421.30908	37.5
423.32523	9.7
437.30493	7.4
439.32217	45.6
449.30640	12.2
467.31549	25.3
503.11325	9.1
503.33783	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	503.3373
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03957	3.1
55.05508	15.0
57.07066	2.6
67.05504	23.3
69.03440	2.7
69.07071	12.7
69.45449	19.4
69.99461	2.4
79.05495	18.1
81.07062	34.5
83.04992	3.6
83.08598	7.0
85.06551	3.0
91.05449	24.4
93.07051	32.0
95.04967	6.1
95.08614	44.7
97.06537	8.7
99.08106	10.5
105.07035	59.2
107.08600	52.0
109.06527	11.3
109.10154	24.3
111.08148	4.0
113.06028	7.4
115.05466	2.5
117.07025	8.8
119.08586	89.3
119.79927	2.7
120.08912	2.9
121.06484	13.1
121.10152	29.6
123.08083	10.0
123.11717	5.6
125.09663	4.4
129.06992	6.5
131.08569	36.0
133.10130	44.9
135.08025	9.1
135.11697	18.5
137.09630	8.7
142.07684	2.8
143.08609	17.2
145.10135	48.5
147.08064	6.1
147.11694	47.9
149.09634	15.2
149.13301	6.8
151.11122	3.4
155.08568	8.5
157.10164	25.0
158.10963	3.2
159.08005	5.3
159.11714	33.4
161.09647	14.2
161.13280	26.7
163.11221	7.7
163.14825	6.8
165.09172	12.1
165.12822	2.7
167.05609	3.4
167.10652	4.6
169.10133	9.1
170.10861	4.1
171.11705	14.0
173.09680	7.2
173.13264	31.1
175.11253	5.7
175.14807	24.8
177.12785	5.4
177.16385	6.3
179.10806	3.0
179.14331	3.6
183.11685	7.3
185.13287	25.7
186.14186	2.5
187.11240	5.0
187.14828	52.7
189.12801	15.5
189.16393	13.3
191.14270	15.1
197.13254	7.9
199.11343	2.6
199.14824	20.3
201.12776	7.8
201.16391	36.2
203.14322	17.0
203.17979	5.9
205.15874	7.7
207.11684	3.4
207.13803	8.3
209.13214	5.5
211.14848	9.3
213.12852	4.8
213.16437	15.3
215.14371	16.4
217.15958	7.9
219.13838	12.8
219.17398	5.2
221.15373	6.5
223.14951	3.9
225.16301	4.0
227.17967	7.2
229.15938	7.2
229.19479	3.6
231.13828	3.8
233.15428	7.3
235.14844	3.5
235.17044	4.4
237.16692	3.6
239.18011	4.3
241.19530	3.3
245.15356	7.1
247.16856	4.4
249.14827	3.5
251.17975	3.1
253.19423	3.6
259.16916	3.8
267.21082	3.6
271.20197	2.9
347.26328	2.9
367.26306	4.4
385.28488	4.2
391.29910	5.3
403.29892	11.9
409.31329	4.9
421.31039	29.6
431.29251	5.1
437.30273	4.9
439.32208	18.8
449.30704	12.2
457.33057	7.7
467.31659	18.2
485.32629	100.0
503.33881	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3369
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
55.05511	12.9
56.59755	3.8
57.14466	3.6
67.05511	39.1
67.63416	4.1
69.03391	4.5
69.07074	17.9
69.43279	33.1
71.04975	7.2
79.05497	23.3
79.60910	3.9
81.07069	39.1
81.52159	3.9
83.08616	5.6
85.06548	6.6
91.05461	28.4
93.07039	50.2
95.04993	10.8
95.08615	57.7
97.06527	12.4
99.04456	5.5
99.08110	11.1
105.07040	78.8
107.04987	5.6
107.08601	58.7
107.99194	4.1
109.06524	10.7
109.10159	30.6
111.08112	5.5
112.33916	4.8
113.05994	5.2
113.93594	4.0
117.07004	11.8
119.08587	100.0
121.06532	13.5
121.10144	35.0
123.08090	14.1
125.09614	5.8
129.07008	8.2
131.08571	56.7
133.10139	60.0
135.08061	19.2
135.09007	4.1
135.11699	17.7
137.09654	5.3
142.07806	6.4
143.08522	27.0
145.10146	61.8
147.08055	5.4
147.11696	58.9
149.09676	12.7
149.13260	12.0
151.07552	4.9
155.08594	6.9
157.10141	31.0
158.10938	4.0
159.11728	37.4
161.09679	10.8
161.13284	30.9
163.11145	11.4
163.14847	10.3
165.09157	18.3
169.10121	5.7
171.11716	17.7
173.09596	10.7
173.13287	45.4
175.11151	5.6
175.14763	33.4
177.12837	8.6
183.11766	11.5
185.13354	24.8
187.11234	5.4
187.14838	61.4
189.12752	20.9
189.16458	11.9
191.14314	15.8
195.11690	6.8
197.13310	6.9
199.14845	24.9
201.12785	10.2
201.16417	48.3
203.14363	19.5
205.15904	7.8
207.13878	7.0
211.14853	8.7
213.12752	5.4
213.16431	13.9
215.14319	13.0
217.15961	8.8
219.13850	20.9
221.15538	6.7
227.17931	5.5
229.15962	9.5
233.15462	6.4
239.17964	5.5
245.15448	6.9
247.17024	8.0
249.14824	6.3
251.17990	6.0
259.16968	7.9
275.20346	7.0
299.06262	5.0
367.26193	6.9
403.30017	16.2
409.30978	7.3
421.31009	47.4
439.32126	33.7
449.30518	16.9
457.33112	16.9
467.31558	17.0
485.32666	15.1
503.33908	69.4
510.66141	5.5
520.67426	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	503.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89368	3.6
55.01862	6.6
55.05507	13.2
57.07070	8.8
67.05494	12.9
69.03455	5.1
69.07074	22.9
69.17612	3.6
70.16663	13.3
79.05489	14.2
81.03399	4.6
81.07076	28.7
83.04955	3.4
83.08626	8.5
85.02903	5.9
91.05462	20.5
93.07049	31.9
95.08619	39.5
97.02921	4.5
97.06528	11.3
105.07052	48.0
107.07948	5.3
107.08600	48.9
109.06516	6.4
109.10172	15.8
115.07574	12.6
117.07020	12.8
119.08596	65.5
121.06476	7.5
121.10165	47.4
121.28139	3.9
123.08052	8.5
123.11687	13.2
128.06253	5.4
129.07068	5.1
131.08592	38.9
133.10146	44.3
135.08035	10.5
135.11748	24.6
137.09634	7.1
137.13358	3.9
139.07584	4.3
142.07814	6.5
143.08568	14.8
144.09329	4.6
145.10127	55.2
147.08093	3.7
147.11696	31.8
149.09572	9.2
149.13307	11.5
155.08586	7.5
156.09343	5.6
157.10161	29.1
159.11728	44.1
161.09680	8.1
161.13307	30.3
163.11201	25.0
163.14821	13.0
165.09067	4.0
168.09386	4.4
169.10126	11.8
170.10873	3.5
171.11768	19.6
173.09622	6.3
173.13309	27.9
175.14841	30.6
177.12782	6.4
177.16405	40.1
183.11679	12.2
185.13283	28.3
187.11203	6.6
187.14830	49.3
189.12798	11.4
189.16405	41.2
191.14345	8.4
197.13275	18.9
199.14812	18.0
201.12766	9.1
201.16399	18.5
201.66064	3.8
203.14299	13.7
203.17947	7.0
205.12158	4.8
205.15895	100.0
207.17470	14.4
209.13300	4.8
213.16362	5.3
215.14349	32.7
215.17937	6.9
217.15971	6.2
219.17444	7.2
221.15305	6.4
223.16982	6.3
233.15437	23.6
235.13214	5.5
243.13760	4.8
245.15373	5.4
252.52596	4.0
253.14374	9.9
261.14804	8.9
274.94177	4.2
279.15881	16.1
391.29785	7.1
403.29654	5.7
409.31033	5.3
421.31006	28.5
431.29379	5.5
439.32474	19.2
449.30252	14.9
457.33194	8.2
467.31793	17.3
485.33231	17.4
503.20352	4.3
503.33875	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	503.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.05512	10.3
57.07081	5.3
63.92955	4.1
64.88432	4.2
65.03924	5.9
67.05524	25.6
69.03431	7.4
69.07073	17.9
71.04987	6.0
79.05501	26.3
81.07076	38.1
83.08648	8.6
85.02908	6.9
87.76488	4.8
91.05456	25.6
93.07053	49.4
95.04950	8.3
95.08102	6.2
95.08620	45.8
97.06552	8.9
98.21515	10.7
99.04500	5.5
99.08107	14.5
102.03076	4.7
105.07040	70.4
107.08598	56.1
109.06526	11.3
109.10186	31.4
117.07050	12.1
119.08600	100.0
121.06513	14.5
121.10156	47.1
123.08099	9.0
123.11746	7.2
129.06990	6.7
131.04951	5.2
131.08595	73.4
133.06480	4.8
133.10139	62.2
135.08052	14.6
135.11710	18.1
137.09566	7.4
140.46712	4.3
143.08577	15.3
145.10124	53.3
147.04361	4.5
147.08067	19.6
147.11716	61.2
149.05975	19.9
149.09621	19.9
149.13264	10.0
157.10165	23.5
159.08096	5.4
159.11691	38.6
161.09673	10.5
161.13268	36.8
163.07584	4.7
163.11284	13.8
163.14835	10.3
165.09161	6.5
167.10672	5.2
169.10126	12.3
170.11044	6.1
171.11736	14.1
173.09666	5.8
173.13268	43.9
174.97197	4.2
175.11186	9.4
175.14809	23.4
177.16383	13.9
179.14316	5.5
181.10094	5.0
183.11684	10.7
185.13261	22.6
187.14842	60.5
189.12788	16.7
189.16377	7.7
191.14326	14.4
197.13322	9.5
199.14854	19.1
201.12708	9.7
201.16423	48.7
203.14331	32.7
203.18034	7.3
205.15912	35.2
207.13829	8.2
209.13309	5.9
211.14848	8.3
213.16467	13.4
215.14287	14.5
217.15833	9.7
219.13861	35.6
219.17461	11.1
223.16997	15.7
225.16295	5.9
229.15929	10.5
231.17390	6.2
233.15431	6.3
237.14813	9.8
247.17004	6.3
253.19696	6.9
257.15771	4.5
321.80634	4.8
328.15222	4.8
380.24304	5.1
391.29980	6.1
403.30032	13.1
409.31277	6.7
421.31128	38.3
439.32159	39.6
449.30603	11.4
455.31985	8.1
457.33148	45.5
467.31705	14.2
485.32938	12.2
503.19241	5.3
503.34238	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	503.3006
Annotation	CHEBI:69121
Peak:m/z	Relative Intensity
53.64235	1.8
55.01871	2.0
55.05504	3.2
60.02798	1.8
67.05503	7.4
69.03434	3.2
69.07069	5.4
70.08052	8.0
70.08427	2.9
71.04976	1.9
71.08025	1.5
78.25574	2.0
79.05494	7.1
81.07043	12.0
83.08613	2.5
84.08135	1.8
85.06571	1.8
91.05487	11.7
92.71815	1.7
93.07050	10.3
95.04980	3.2
95.08613	16.5
97.06554	2.8
105.07024	25.1
107.08600	20.0
109.02901	2.3
109.06530	6.7
109.10153	6.4
111.08089	3.7
117.07026	4.4
119.08584	33.7
121.06513	12.7
121.10146	8.8
123.08076	5.4
125.09626	2.4
128.06239	2.2
129.06990	5.9
131.08568	21.2
133.06514	2.7
133.10112	25.0
135.08064	24.5
135.11700	4.5
137.09650	6.7
141.06999	2.3
142.07741	4.8
143.07697	1.6
143.08611	13.9
145.06496	2.3
145.10147	23.7
147.08047	14.9
147.11702	11.0
149.06030	2.2
149.09615	7.5
155.08548	2.2
156.09343	4.8
157.10139	21.9
158.07301	2.4
159.08066	18.0
159.11694	13.7
160.08879	5.6
161.09634	18.8
161.13290	10.2
163.07549	12.4
163.11130	5.9
163.14838	3.5
165.09122	2.1
169.10112	3.7
170.10884	2.9
171.11710	17.0
172.08937	2.7
173.09625	25.5
173.13286	17.8
174.10417	5.7
175.07614	2.7
175.11194	70.4
175.14720	10.2
177.09132	10.0
177.12723	2.6
181.08640	4.0
181.10097	2.6
182.10713	1.9
183.11758	6.5
184.08818	4.2
185.09583	5.1
185.13297	7.2
187.11197	10.4
187.14801	4.2
189.12732	38.5
189.16409	5.2
191.10658	3.8
191.14363	7.3
195.11775	2.6
197.13252	6.1
198.10350	3.9
199.11192	18.5
199.14851	8.9
201.12801	7.8
201.16402	4.8
203.10669	4.4
203.14336	4.2
205.12292	4.4
205.15785	2.1
207.13844	1.8
209.13153	2.3
211.11261	2.1
211.14886	3.8
213.12814	10.5
213.16389	3.3
215.10715	7.4
215.14311	5.4
217.12253	52.9
217.15637	8.3
219.13795	4.2
223.15034	2.3
225.12932	2.5
225.16467	2.8
227.14330	5.0
231.13812	22.5
237.14772	4.1
245.15369	2.7
247.29175	1.8
379.26288	4.4
403.26495	8.8
405.28165	3.7
407.25995	2.1
421.27267	12.5
423.29361	3.1
425.26788	7.4
431.25760	5.7
441.26422	2.6
442.27219	4.2
443.28049	12.6
449.26764	10.1
467.27847	31.2
485.28992	100.0
486.29181	3.2
503.29977	87.0
504.29990	2.7
527.83765	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	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01867	1.6
57.03434	2.3
61.02914	2.6
64.52129	0.9
67.05485	1.1
69.03433	8.7
70.52747	2.9
71.04987	1.3
73.02924	1.6
79.05491	3.0
81.03419	4.7
81.07047	4.4
85.02906	19.5
85.06564	1.5
91.05479	5.1
93.07052	1.2
94.04195	4.3
95.04984	1.2
95.08604	1.6
97.02892	7.4
99.04441	1.4
103.05473	3.3
104.06223	1.1
105.07021	5.4
107.04926	1.0
107.08588	1.8
109.02860	2.1
109.06527	3.7
115.05451	3.6
117.07058	1.8
119.08575	3.2
121.10148	1.7
122.03638	8.2
127.03901	5.4
128.06262	2.5
129.07028	3.0
131.04887	4.9
131.85681	1.0
132.05716	2.5
133.06512	3.0
133.10098	1.4
137.05978	100.0
141.07001	1.2
145.05002	1.9
147.04446	1.7
147.08044	4.0
149.05968	1.8
149.09589	1.3
151.11217	2.3
159.08096	1.6
159.11671	1.9
160.05173	2.3
161.05991	13.1
163.03908	2.7
163.07545	6.0
163.08859	0.8
164.04280	1.5
165.07091	1.1
171.08034	1.1
175.07555	37.5
184.05231	2.6
187.07541	6.6
189.09041	1.0
190.07745	1.0
191.08539	4.9
199.07535	16.0
201.09161	1.5
202.07759	4.7
203.08551	9.0
205.06348	1.1
215.07074	1.0
218.07201	0.8
219.08073	6.5
220.08792	3.2
221.09645	1.1
231.08055	11.4
232.08844	2.8
235.07617	1.2
235.10966	1.0
237.18471	3.0
247.07570	3.7
248.08324	4.9
249.09030	1.6
251.10648	7.7
255.19717	1.3
259.07584	6.8
260.08344	2.0
261.09122	1.3
263.10641	6.0
264.07974	1.0
265.08566	1.3
276.07800	3.8
277.08563	3.8
279.10220	5.1
280.10880	1.1
291.10129	14.1
292.10864	5.6
293.08325	1.5
295.13281	2.1
308.10471	1.8
311.12766	18.1
311.53784	0.8
323.09253	1.7
323.12817	21.4
325.14688	1.2
503.19229	1.0
503.31247	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	503.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05526	1.0
64.20284	0.6
65.03963	1.7
67.05502	2.3
68.89536	0.6
69.03433	4.7
69.07063	1.5
71.04989	1.3
79.05504	1.3
81.03425	4.7
81.07069	1.5
85.02901	2.9
87.00826	0.7
91.05486	21.7
93.07050	2.4
95.08611	2.8
97.02886	6.2
97.06535	1.1
99.04463	1.8
105.07040	3.7
107.04957	1.0
107.08599	3.4
109.02884	6.2
109.06570	1.0
109.10164	2.3
115.05467	0.7
117.07047	1.2
117.50150	0.6
119.04951	23.1
119.08590	4.6
121.02865	1.4
121.10142	2.5
123.11727	1.0
125.06020	0.9
127.03924	6.0
127.57627	0.7
131.04895	1.0
131.08571	2.2
133.10146	3.3
135.08055	0.8
135.11687	0.9
137.05986	1.0
141.07040	0.6
143.08536	0.8
145.10147	2.9
147.04424	100.0
147.11687	3.0
148.04753	0.9
157.10126	1.7
159.11707	2.8
161.13351	1.2
165.05466	4.3
167.05621	0.9
171.11732	1.4
173.13306	1.6
177.05518	0.7
184.12543	0.9
185.13312	1.1
187.14899	1.5
189.16393	1.1
197.13196	1.0
198.59183	0.7
203.14226	1.1
205.15950	3.1
213.03912	0.7
215.14378	1.5
291.08575	2.0
299.06284	0.8
303.82513	0.7
311.44876	0.8
395.09860	7.7
421.31024	0.9
457.32938	0.9
485.32849	1.7
502.42322	0.8
503.30164	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	502.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	13.0
57.03431	15.2
57.07078	28.8
59.05002	5.5
66.77737	2.7
67.05510	91.2
69.07056	7.2
70.95212	6.1
71.04990	2.9
71.08643	23.8
81.07062	23.7
83.08630	14.1
85.06536	3.9
85.10189	16.6
93.07051	3.1
95.08596	21.5
98.89244	2.5
109.10165	84.7
111.08084	3.0
119.08621	6.1
137.09601	4.7
155.10657	5.7
173.11778	24.7
176.73926	2.6
183.40202	3.2
229.14381	100.0
260.15640	2.8
299.06088	3.3
310.57056	2.6
313.27390	99.6
436.28189	2.9
467.37381	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
55.01870	5.1
55.05516	11.3
57.03438	2.6
57.07068	2.3
67.05507	21.5
69.03424	10.5
69.07057	10.3
69.25285	25.7
71.04992	3.9
79.05499	24.9
81.03406	6.4
81.07060	35.2
83.04983	5.7
83.08614	5.0
84.04475	2.6
85.02911	26.9
85.06554	3.2
87.00830	9.1
91.05484	43.2
93.07042	48.3
95.04951	6.8
95.08614	47.3
97.02902	14.2
97.10159	2.6
99.04417	3.6
100.58920	2.8
105.01868	27.7
105.07037	94.1
107.08601	53.6
109.02876	8.6
109.06523	5.9
109.10165	23.7
111.08039	3.8
117.07026	28.8
119.04934	3.5
119.08585	53.5
121.10149	36.6
123.08070	3.9
123.11726	6.8
124.07628	3.3
127.03937	20.8
128.63306	2.6
129.07002	7.2
130.04993	10.2
130.07793	7.4
131.08580	57.0
133.10130	25.9
134.10484	4.0
135.11731	12.1
143.08559	7.5
144.09337	4.2
145.04988	11.1
145.10133	100.0
146.10815	2.7
147.04433	12.2
147.11678	10.2
149.13298	3.7
157.10130	6.8
159.11690	61.6
160.09705	4.3
161.13245	27.1
163.03830	2.8
163.11221	5.0
163.14815	4.7
171.11713	2.8
173.13249	14.1
175.14862	6.2
186.11342	4.0
191.17839	3.1
199.14737	2.6
201.16400	90.3
202.16675	3.4
219.17464	24.3
231.05043	7.1
242.86342	2.5
249.06126	5.5
255.06569	32.3
363.02090	2.5
502.32440	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	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98106	7.1
53.03947	13.2
55.01872	11.0
55.05510	18.0
67.05506	41.2
69.03425	30.1
69.07060	29.0
70.12450	19.0
79.05494	23.4
81.03421	20.5
81.07065	76.5
82.81517	5.9
83.08627	12.0
85.02917	50.2
87.00826	23.8
91.05482	33.2
93.07050	69.8
95.04962	9.9
95.08611	100.0
97.02899	34.8
99.04478	9.1
105.01889	22.2
105.04537	5.6
105.07036	86.7
106.07321	8.3
106.15578	5.3
107.00257	5.9
107.08607	71.8
109.02885	18.9
109.10168	80.3
117.07005	7.5
119.08580	73.2
121.10168	36.4
123.08081	6.1
123.11685	10.0
125.09618	6.3
127.03927	41.2
131.08591	26.8
133.10138	41.5
135.11729	44.3
137.09575	6.0
137.13181	6.0
143.08644	11.3
145.04945	12.6
145.10118	35.0
147.11694	57.7
149.13199	7.2
157.10120	12.0
159.02905	16.4
159.11746	32.1
161.13261	24.5
163.03940	7.9
163.14864	8.7
171.11728	5.8
173.13252	11.9
174.13570	7.6
175.14807	13.2
185.13338	11.9
187.14851	10.0
189.12762	6.8
201.12920	6.0
201.16377	44.0
203.17923	47.8
205.15894	8.1
219.17441	12.8
231.05176	9.3
305.66653	5.5
390.23361	9.0
438.30826	9.0
448.29541	10.0
456.31888	23.7
457.33020	6.0
466.30301	18.8
484.31543	11.9
502.19922	12.0
502.32388	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.05505	17.7
57.07079	3.5
57.16637	2.3
60.62944	2.3
63.29244	2.5
64.51817	2.3
65.03928	4.0
66.49900	2.5
66.98014	2.8
67.05502	22.3
68.68766	2.4
69.03432	6.6
69.07070	12.6
70.06567	6.1
71.04977	2.5
71.58926	2.7
72.08155	3.8
72.31575	3.0
76.17532	2.4
79.05504	24.9
81.03407	3.6
81.07063	40.2
83.04987	17.8
83.08633	4.4
84.08167	3.1
84.64210	2.7
85.02892	7.4
85.06555	5.0
85.16319	2.2
86.09678	4.0
86.37201	2.9
91.05488	31.8
92.54800	2.4
93.07051	54.0
95.04930	12.1
95.08614	41.9
97.02900	5.1
97.06531	12.1
99.04471	4.7
103.05471	2.8
105.07038	90.9
105.07748	4.6
107.04924	7.8
107.08604	57.5
109.02921	2.7
109.06529	10.7
109.10160	26.8
111.08070	5.2
113.06003	2.7
115.07578	4.5
117.03380	2.8
117.07011	14.6
119.04964	3.1
119.08591	100.0
119.32187	2.5
121.06482	10.0
121.10152	42.0
123.08065	13.1
123.11736	15.2
125.09618	3.3
127.03854	4.1
128.06226	6.1
129.07011	14.8
130.07736	4.5
131.08575	64.8
133.06525	3.2
133.10132	79.6
133.74097	2.4
135.08066	8.8
135.11737	17.5
137.09630	7.9
141.06955	3.8
142.07794	13.2
143.08571	40.4
144.09357	7.8
145.02832	4.2
145.10127	82.4
147.04442	5.7
147.08101	7.3
147.11697	69.5
149.09607	9.7
149.13278	11.1
151.07503	3.5
151.11208	3.6
155.08588	12.2
156.09340	12.3
157.10152	46.5
158.10901	5.7
159.08051	6.9
159.11708	74.0
160.12314	2.9
161.09602	15.4
161.13269	26.5
163.03963	8.8
163.11195	8.4
163.14841	10.9
167.08583	3.5
168.09300	6.3
169.10123	20.0
170.10948	4.2
171.11681	48.7
173.09610	9.1
173.13280	76.4
175.11203	14.7
175.14821	27.5
177.05472	9.1
177.12743	7.7
177.16350	12.9
181.10172	6.4
182.10927	9.1
183.11681	20.9
185.13284	32.5
187.11183	8.8
187.14832	70.9
189.12714	14.1
189.16444	14.9
191.14372	24.4
193.12059	3.7
195.11707	6.2
197.13274	38.6
199.11122	5.5
199.14812	26.5
201.12764	21.1
201.16444	12.4
203.14270	25.7
203.17955	3.2
205.15863	23.6
209.13240	4.1
211.14847	9.4
213.12801	5.4
213.16417	16.5
215.14322	58.5
215.17769	3.9
217.12341	3.7
217.15897	22.4
219.13866	3.0
219.17502	7.3
221.15393	26.3
223.14795	4.4
225.16322	3.9
229.15982	4.7
231.13765	4.3
231.17523	3.9
233.15327	16.3
235.16925	7.1
239.18192	4.2
249.16505	4.2
255.17415	2.8
263.12781	3.2
265.19540	3.7
279.15915	32.1
339.08398	3.2
373.28955	2.9
389.28519	4.8
401.28293	6.1
407.29388	9.4
419.29413	15.9
425.30481	7.4
437.30276	21.2
447.28781	3.3
453.29944	12.1
455.31787	21.9
465.30023	18.6
471.31097	11.5
483.31238	29.6
484.14362	3.7
501.22931	8.3
501.32016	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01886	4.3
55.05511	18.3
57.03437	4.9
65.03922	3.4
67.05493	19.2
69.03427	9.5
69.07079	15.4
69.27557	6.1
69.27959	26.5
70.06590	7.4
71.05009	7.1
79.05495	26.0
81.03410	8.4
81.07064	52.3
83.04992	50.0
83.08610	6.8
85.02896	7.1
85.06534	5.2
86.09698	6.0
89.03935	4.4
91.05479	42.8
93.07051	61.0
95.04968	24.6
95.08611	56.0
97.02877	3.5
97.06522	9.1
98.20785	7.4
99.04413	3.8
105.07036	100.0
107.08598	66.8
109.02867	3.4
109.06522	11.4
109.10159	25.6
111.04467	3.6
111.08077	5.9
115.05495	3.7
115.07626	5.3
117.03381	10.6
117.07035	12.1
119.08582	87.7
121.06544	7.8
121.10161	52.8
121.32616	3.8
123.08079	15.7
123.11713	11.4
125.09641	5.1
127.03948	4.9
128.06198	7.0
128.07060	4.3
129.07019	11.0
131.08582	62.5
133.06563	4.0
133.10139	81.8
135.08078	11.9
135.11716	21.2
137.09605	4.3
142.07747	14.8
143.08577	42.6
144.09334	4.7
145.02827	16.4
145.10132	75.3
146.03120	3.4
147.08064	8.4
147.11700	90.4
149.09627	9.0
149.13258	21.0
151.07524	4.3
151.11168	4.2
155.08554	11.6
156.09355	9.7
157.10146	54.8
158.10951	4.8
159.08069	7.5
159.11707	85.1
161.09564	16.5
161.13278	33.0
163.03946	6.9
163.11154	9.2
163.14880	7.3
165.09093	3.4
167.08543	4.2
168.09375	6.1
169.10115	23.9
170.10942	8.9
170.65242	3.3
171.11685	48.8
173.09676	6.6
173.13274	65.9
175.11214	12.5
175.14835	21.2
177.05476	33.2
177.12871	4.0
177.16405	25.5
180.04886	2.9
181.05351	3.0
181.10109	8.7
182.10880	7.5
183.11693	31.6
184.07231	3.6
184.12323	3.2
185.13290	35.2
187.11203	8.7
187.14835	59.9
189.12746	14.4
189.16403	11.7
191.14316	9.0
193.12294	6.7
195.11743	7.2
196.12386	3.4
197.13251	35.5
199.11205	9.9
199.14830	29.5
201.12756	21.9
201.16383	15.3
203.14268	23.2
205.12361	4.0
205.15881	42.9
209.13286	6.2
211.14841	9.1
213.12717	5.9
213.16493	15.3
215.14317	54.2
217.12315	9.3
217.15889	20.7
219.17444	7.9
221.15340	7.5
223.14752	3.3
225.16400	6.4
226.41743	3.5
227.14403	4.9
229.16002	4.8
231.13792	5.6
231.17464	7.0
233.15366	16.6
235.13228	4.1
235.17046	7.3
237.16273	5.1
243.13763	3.9
243.17502	5.1
245.15337	6.1
251.18019	5.1
253.07018	4.1
253.14243	3.4
260.43552	3.7
261.14819	6.4
263.12799	9.5
279.15958	25.4
283.20499	3.5
293.22629	4.1
363.26886	3.3
379.26239	6.0
397.27216	11.1
401.28159	6.1
405.26810	4.6
419.29468	11.9
421.30917	3.9
425.26477	14.7
435.29269	4.2
437.30466	11.8
443.27884	22.1
447.28925	9.9
453.29843	8.1
455.31531	18.7
465.30078	20.4
471.30914	4.4
483.31183	33.1
501.32294	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	501.3213
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05505	16.5
56.01573	3.8
67.05500	21.1
69.03433	8.0
69.07066	23.6
69.26222	3.6
69.47723	18.8
69.48148	9.9
76.14157	3.9
79.05482	24.1
79.47537	3.5
81.03422	5.3
81.07054	42.8
83.08611	11.8
85.02905	5.7
91.05475	19.5
93.07056	33.9
95.04948	5.8
95.08626	50.5
97.02927	5.8
97.06535	5.8
97.10133	3.7
98.21461	8.8
101.46146	3.8
104.80281	4.2
105.07032	59.1
107.08597	61.5
109.06546	9.5
109.10170	46.5
117.07011	11.9
119.07800	6.2
119.08595	100.0
121.06467	9.0
121.10154	50.1
123.08044	5.6
123.11699	13.0
125.09628	5.7
129.07024	10.2
131.08580	50.7
133.10167	56.1
135.04369	4.1
135.08058	11.2
135.11714	25.4
137.09616	7.3
143.08592	25.5
145.02808	8.7
145.10129	76.5
147.08069	4.0
147.11699	25.6
149.09634	10.1
149.13257	13.3
153.09074	6.3
155.08649	7.5
157.10149	24.5
159.11671	37.2
161.09593	11.5
161.13295	21.1
163.03908	8.4
163.11150	10.2
163.14812	14.2
169.10173	8.8
170.10989	5.6
170.14273	4.1
171.11731	16.7
173.13290	49.8
175.11166	7.6
175.14835	39.8
177.05473	11.8
177.12798	12.2
177.16389	11.7
183.11649	12.5
185.13260	75.3
187.14816	75.4
189.12753	11.1
189.16420	26.0
191.14319	24.6
191.18005	7.9
197.13245	8.1
199.14845	31.0
201.12846	6.1
201.16388	43.0
203.14331	31.9
203.17961	15.3
205.15901	5.9
211.14806	8.5
213.16336	12.4
215.14316	6.2
215.17928	6.5
217.15945	11.3
219.17432	6.3
221.15356	5.4
225.16313	4.7
227.17986	5.1
229.15941	5.5
229.19579	3.9
231.13789	8.6
233.15479	6.3
241.19534	6.8
245.15331	8.5
247.16969	12.7
249.14876	41.3
250.76523	4.5
259.16901	5.9
261.14880	11.7
307.24173	11.6
309.25864	5.6
325.25195	6.0
353.24692	7.9
371.25766	19.1
381.27853	13.9
391.30115	23.6
393.31265	8.6
409.31314	21.9
419.29526	23.0
427.28381	10.0
437.30511	44.7
439.31940	6.2
455.31488	42.8
465.29999	7.5
483.31021	20.0
501.31851	13.3
518.46729	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	501.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01856	4.0
55.05519	14.0
57.07061	4.6
67.05509	23.0
69.03420	3.1
69.07063	15.8
69.45696	7.5
69.46116	15.4
70.06580	3.0
79.05485	20.9
81.07056	30.3
83.04956	4.1
83.08618	9.2
85.02937	3.6
85.06551	4.9
88.41944	3.0
90.33559	2.7
91.05489	27.5
93.07050	39.0
95.04994	4.5
95.08608	46.1
97.02878	3.3
98.21496	6.0
99.08099	10.3
105.07029	62.9
107.04893	3.3
107.07954	4.9
107.08604	50.6
109.02882	3.8
109.06522	3.3
109.10149	34.6
111.08052	6.9
117.07024	7.6
119.08585	100.0
121.06521	8.8
121.10139	42.9
123.08054	6.0
123.11702	6.5
129.06982	5.3
131.08574	51.9
133.10132	58.3
135.08066	8.1
135.11703	19.8
137.06013	3.6
137.09601	7.3
141.07005	4.0
142.07709	3.5
143.08583	29.0
145.10141	51.9
147.07957	6.1
147.10629	4.3
147.11705	45.1
149.09618	6.7
149.13249	8.3
155.08557	8.6
156.09340	6.6
157.10139	28.1
158.10889	4.9
159.08128	4.2
159.11696	48.4
161.09616	9.9
161.13297	21.0
163.03828	5.4
163.11180	7.2
163.14763	10.0
169.10155	9.1
170.10840	4.9
171.11682	19.0
173.13264	40.4
175.11235	4.7
175.14832	38.3
177.12698	6.9
177.16380	5.6
179.14413	4.8
181.08589	3.8
181.10097	4.4
182.10951	3.7
183.11703	16.4
185.09654	6.6
185.13271	38.3
187.11189	5.9
187.14839	55.0
188.12106	3.5
189.09059	3.2
189.12740	9.9
189.16360	10.5
191.14372	23.1
195.11752	5.3
197.13275	12.0
198.14104	3.1
199.14830	40.3
201.12697	5.9
201.16403	45.3
203.12645	3.3
203.14278	17.1
205.15829	8.2
207.13757	4.7
209.13310	3.9
211.14780	14.8
213.12825	3.1
213.16344	19.7
215.14182	8.6
215.17937	7.3
217.12302	4.5
217.15907	7.0
219.13809	7.4
219.17474	7.6
221.13252	3.8
221.15375	4.2
223.14735	4.8
225.16380	6.4
227.17987	6.0
231.13875	4.7
233.11560	3.6
233.15367	6.6
235.13219	4.5
237.16486	5.9
245.15364	9.1
247.16986	6.4
249.14880	16.6
251.17963	3.2
253.19672	4.2
255.21013	3.1
259.16931	5.5
267.21042	7.5
307.24203	8.3
319.24063	3.5
321.22144	5.6
353.24759	14.8
373.28842	5.0
381.27975	5.6
391.30048	34.5
393.31516	11.1
401.28201	4.1
409.31223	13.8
419.29453	19.3
421.30750	3.5
437.30496	49.3
438.31165	3.2
455.31860	15.1
465.30063	7.2
483.30936	12.3
501.27625	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	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	25.2
57.03440	14.4
57.07067	7.9
59.05003	4.2
63.76807	1.7
67.05508	89.0
69.07076	22.8
71.04976	2.5
71.07542	2.1
71.08621	7.2
71.59253	3.6
79.05491	5.9
80.35145	1.9
81.07055	18.3
83.08617	29.8
85.06581	2.6
85.10192	2.9
88.07624	2.8
91.05458	5.5
93.07038	5.5
95.08614	7.9
97.06519	2.9
97.10175	16.7
107.08603	3.7
109.10161	81.8
111.08063	2.6
111.11703	4.9
116.99044	2.3
119.08567	5.1
121.10165	2.7
133.10094	2.0
135.11702	3.6
137.09572	4.2
155.10681	6.8
156.87988	2.0
158.86783	2.0
173.11739	24.7
185.70451	1.9
208.49979	2.0
215.77525	2.0
229.14352	100.0
311.25818	84.7
311.28677	2.1
465.35794	69.9
500.33963	2.3
500.47079	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	499.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19309	3.6
53.03938	5.6
55.01865	6.4
55.05516	26.4
57.03439	21.0
57.07072	7.3
59.10029	3.3
61.02930	55.1
65.03936	5.6
67.05173	5.5
67.05510	90.6
69.03426	31.5
69.06770	3.9
69.07076	43.0
71.01365	7.0
71.04981	8.2
71.21867	3.2
71.59390	3.7
73.02924	27.6
79.05499	33.5
81.03423	35.5
81.07063	100.0
83.04980	5.6
83.08619	21.0
85.02905	59.7
87.04433	3.6
91.03954	36.5
91.05503	26.7
93.07053	43.6
95.04973	9.8
95.08622	67.9
97.02904	50.5
97.06530	6.1
97.10152	17.7
99.04445	9.7
101.02344	6.9
103.03937	9.4
105.07016	29.3
107.08589	25.7
109.02873	12.8
109.06492	6.3
109.10170	35.5
111.08063	5.4
113.09610	3.7
115.03905	4.7
117.07025	9.9
119.08604	20.6
121.10133	22.0
123.11702	14.4
127.03934	19.1
129.07019	10.6
131.08551	14.7
133.10146	17.2
135.11682	17.0
137.13268	5.2
139.11133	3.9
143.08554	10.3
145.04974	5.1
145.10127	14.5
147.11638	16.0
149.13249	9.1
151.11255	4.1
155.08466	4.2
157.10040	5.7
159.11664	4.6
161.13261	11.3
163.03871	7.1
163.14847	9.3
169.10228	5.3
171.11696	8.6
173.13272	7.3
175.14859	8.6
181.09976	3.6
183.11688	5.4
187.14735	4.4
189.16348	5.8
195.11571	4.4
201.07639	4.8
245.22668	12.2
263.23752	16.6
286.86249	4.0
337.27396	67.1
371.25787	9.0
389.27423	4.9
407.29037	9.0
430.03305	3.5
441.85913	3.9
499.33908	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	499.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.2
65.12487	0.9
67.05496	3.7
69.03419	0.9
69.07066	3.2
69.20007	0.7
71.60196	0.9
72.00669	0.8
79.05499	5.8
79.99860	0.8
81.07056	6.5
83.04971	2.3
83.08604	1.0
88.17087	0.8
91.05479	7.6
93.07034	6.2
94.13172	0.8
95.04951	1.7
95.08614	9.9
97.06528	1.8
103.05534	0.9
105.07048	12.2
107.05007	1.0
107.08591	10.2
108.19005	0.8
109.06503	3.1
109.10160	4.4
111.08131	1.4
117.07048	2.5
119.08582	13.8
121.06527	1.4
121.10181	5.8
123.08090	2.2
127.07535	1.0
128.06175	0.8
129.07004	2.3
131.08575	6.8
133.06520	5.0
133.10139	8.3
135.08057	50.7
135.11678	1.8
142.07828	1.3
143.08553	5.5
144.09261	0.9
145.06500	0.8
145.10110	8.7
147.08066	5.4
147.11679	6.2
148.58269	0.8
149.09616	7.0
149.13242	1.8
151.11221	1.4
155.07053	4.2
155.08557	1.6
156.09425	1.3
157.10135	6.4
159.08066	2.3
159.11699	6.3
160.01154	0.8
160.08867	0.9
161.09618	9.2
161.13229	2.1
163.11162	0.8
163.14880	1.6
169.10097	2.2
171.11699	4.8
173.09616	1.8
173.13306	5.3
175.11220	8.8
175.14906	2.3
177.12773	1.6
177.16394	1.2
183.11774	2.3
185.09663	1.3
185.13298	3.1
187.11185	2.0
187.14790	9.7
189.12794	2.5
189.16454	2.9
191.14371	0.9
197.13293	2.4
199.11200	1.7
199.14775	2.0
201.12796	2.6
201.16431	2.6
203.14314	17.3
207.11780	1.2
210.14119	0.9
211.14839	1.3
213.16347	1.8
215.14342	1.9
217.15846	7.4
219.13832	0.9
225.16347	1.2
227.17966	1.1
231.17480	1.9
233.15436	1.0
237.16513	0.9
239.18033	0.8
241.15921	1.3
243.17474	1.0
253.19809	1.2
277.13528	0.8
351.23126	1.0
362.80484	0.8
403.29889	1.2
407.29666	2.4
421.30859	2.6
435.28802	1.6
453.30151	5.2
455.31787	1.8
481.33368	1.2
499.34250	100.0
500.34393	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	499.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	12.6
57.03430	5.1
57.07064	6.1
62.15703	5.1
67.05499	22.0
69.03426	7.7
69.07069	27.1
70.45827	4.5
71.58883	7.6
79.05493	21.8
80.88786	5.4
81.03407	5.5
81.07072	51.7
83.04990	10.8
83.08633	8.9
85.02898	6.3
91.05483	33.1
93.07076	37.6
94.75774	5.5
95.04981	17.8
95.08613	44.2
97.02938	6.1
97.06544	17.3
99.04461	5.7
105.07040	66.2
107.08599	48.6
109.02894	7.4
109.06533	14.0
109.10164	28.5
111.04452	9.8
115.05458	7.4
117.07020	16.1
119.08600	90.9
121.06514	16.9
121.10165	25.1
123.08054	5.5
125.09611	6.0
127.03892	5.7
128.06277	6.3
129.07031	13.1
130.06514	17.4
131.08577	71.4
133.06482	7.3
133.10135	41.8
135.08069	17.0
135.11707	21.0
137.09621	10.8
142.07805	8.3
143.08603	34.9
144.09354	8.1
145.10117	66.1
147.04443	18.6
147.08057	12.0
147.11702	37.2
149.09674	7.2
149.13252	12.3
155.08563	18.4
156.09386	8.1
157.10156	54.4
158.10977	5.1
159.07976	6.0
159.11713	47.0
161.09604	10.8
161.13272	39.2
163.03931	15.8
163.11203	15.4
163.14859	12.2
168.09332	7.1
169.10133	22.2
170.10860	6.4
171.11717	47.1
173.09634	6.8
173.13269	83.8
175.11214	12.5
175.14836	50.5
176.83476	5.9
177.12785	9.4
177.16440	9.4
181.10143	9.3
181.65808	5.7
182.10970	6.0
183.11732	37.8
185.13269	35.3
187.11313	6.8
187.14862	43.5
189.12764	41.3
189.16357	8.7
191.14342	23.5
195.11682	10.9
197.13255	29.1
199.11180	21.0
199.14838	55.9
200.69412	5.0
201.12782	11.9
201.16367	46.4
203.14362	15.6
203.17993	6.4
207.13832	8.2
209.13292	6.6
211.14859	13.9
213.16441	23.6
215.14325	11.0
215.17949	10.6
217.12303	30.7
217.15889	9.0
219.13831	6.2
221.13365	6.1
221.15460	6.9
225.16370	16.1
227.07225	5.6
227.17941	10.7
229.15976	6.0
233.15398	12.6
235.13188	7.2
237.16544	9.4
239.17813	11.4
241.19604	11.2
245.15457	11.6
247.17007	9.2
253.14366	20.3
253.19597	16.6
255.21115	10.9
259.16943	6.9
263.12805	52.2
267.21335	7.2
299.20120	8.4
305.87238	6.0
375.12149	5.1
381.86548	5.9
389.28439	12.9
391.29727	6.5
407.29742	8.1
417.28000	25.6
435.29041	47.3
453.29962	100.0
455.31415	18.5
463.28320	7.2
481.29697	26.2
499.30579	68.6
500.13364	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	499.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.05521	12.5
67.05507	14.7
69.03423	5.2
69.07069	11.3
69.24017	2.6
69.47340	9.8
69.47757	8.7
79.05503	12.3
81.03401	3.2
81.07057	24.7
83.04977	2.4
83.08627	6.7
85.02905	4.3
85.06564	3.4
91.05488	23.1
93.07054	34.8
95.04959	6.3
95.08617	36.5
97.02913	4.5
97.06550	6.8
98.21456	4.9
105.07033	58.3
107.04996	3.0
107.08601	47.0
109.02895	3.3
109.06503	7.8
109.10136	12.3
111.08083	5.5
111.69440	2.2
115.05447	2.9
117.07014	11.1
119.08594	100.0
121.06506	12.3
121.10153	25.1
123.08064	9.1
123.11720	3.4
125.05994	4.4
126.37363	2.2
127.03907	5.9
128.06288	3.9
129.06985	9.5
130.07776	2.8
131.04993	3.5
131.08577	57.4
133.10133	37.0
135.08061	9.1
135.11742	12.4
137.06003	3.6
137.09641	4.6
142.07785	6.7
143.08595	24.1
144.09415	4.7
145.06461	3.8
145.10141	82.5
147.04414	2.7
147.08017	6.2
147.11694	26.6
149.09627	8.1
149.13295	10.8
155.08575	5.0
156.09328	12.3
157.10150	38.9
158.10913	6.9
159.08017	4.0
159.11703	52.3
161.09659	12.5
161.13301	27.6
163.07507	12.4
163.11185	9.3
163.14827	14.4
167.08504	3.1
169.10136	7.7
170.10910	13.7
171.11719	32.8
173.13278	77.0
173.14684	5.2
175.11298	5.3
175.14853	52.7
177.12750	6.7
181.34563	2.6
183.11687	22.5
185.09656	3.9
185.13252	43.1
187.11197	5.5
187.14815	43.8
189.12778	20.6
189.16397	13.4
191.10692	3.1
191.14313	55.5
195.11736	5.5
197.13301	7.9
199.11192	5.3
199.14842	55.8
201.12825	4.4
201.16373	30.5
203.14381	13.9
203.17989	3.7
205.15872	4.9
207.13869	4.9
209.13301	6.3
211.14745	7.2
213.16397	8.7
215.14346	10.5
217.12204	8.7
217.15891	9.7
219.13889	5.9
221.15428	4.6
225.16422	4.0
227.14366	4.2
227.17993	6.4
229.15855	3.0
230.84964	2.7
231.13855	5.9
233.15315	12.3
235.13284	13.3
243.13818	3.4
245.15410	13.3
247.17003	6.1
249.14699	3.2
253.19717	3.4
268.11627	3.6
296.11069	2.9
308.28821	3.0
313.11804	5.1
314.12274	9.5
342.11649	4.5
347.72830	2.9
371.27313	3.3
373.13803	8.6
374.14273	23.3
389.28363	9.8
391.30176	7.0
394.14951	2.5
400.98083	2.5
407.29526	9.5
409.54761	2.6
417.27747	13.9
419.29462	5.7
435.29105	22.9
437.30475	5.8
445.27136	2.8
453.30093	15.1
455.31525	3.9
463.28442	5.6
481.29620	23.8
499.20889	3.3
499.30411	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	499.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	9.5
67.05496	13.4
69.03420	9.3
69.07047	10.1
71.04993	4.9
71.59356	4.4
79.05486	12.2
81.03417	12.0
81.07065	19.2
83.04968	3.3
83.08640	7.9
85.02911	20.6
87.00835	10.6
91.05496	21.6
93.07060	31.1
95.04978	6.2
95.08628	31.9
97.02863	11.2
97.06535	7.1
99.04491	4.0
105.01852	6.7
105.07047	45.6
106.51111	3.5
107.04971	4.6
107.08596	36.4
107.20477	3.7
109.02858	11.9
109.06491	9.0
109.10189	20.7
111.08070	8.1
117.07026	12.7
119.07790	6.7
119.08591	100.0
121.06512	29.1
121.10157	19.2
123.08064	8.4
125.09633	4.6
127.03907	15.5
129.07001	7.5
131.08582	49.0
133.10135	54.1
134.72499	3.6
135.08035	11.3
135.11743	6.3
137.09578	7.4
140.21341	4.3
141.06920	4.8
141.38432	3.8
142.07803	8.4
143.08571	30.1
144.09372	4.3
145.10139	86.1
145.11252	5.1
147.04404	5.8
147.08014	6.2
147.11633	21.3
149.09630	8.1
149.13271	12.9
155.08478	8.2
156.09351	11.4
157.10143	37.6
158.10896	8.3
159.11713	41.2
161.09636	13.9
161.13289	35.0
163.03896	4.6
163.07578	8.5
163.11179	8.8
163.14816	15.2
165.33041	4.1
169.10170	10.3
170.10956	14.6
171.11702	34.6
173.13286	53.1
175.14835	25.9
177.12776	4.7
181.08615	5.0
181.10117	6.1
183.11696	18.7
185.13275	38.9
187.11215	7.3
187.14815	48.5
189.09189	6.0
189.12791	31.5
189.16412	14.6
191.10623	4.1
191.14331	45.9
197.13245	11.2
199.14830	53.0
201.12756	5.5
201.16420	38.1
203.14285	25.8
205.12100	5.0
205.15944	5.4
207.13753	6.3
211.14824	6.6
213.16418	12.1
215.14308	8.7
217.12288	8.7
217.15874	10.7
221.15489	4.0
227.14316	4.3
227.17795	6.5
231.13783	7.8
233.15463	19.9
235.13278	22.8
245.15399	17.1
249.14876	17.2
253.14339	17.3
259.17065	5.2
275.06400	4.8
370.42493	4.0
389.28534	10.0
391.29883	8.6
404.20056	4.6
417.27734	5.4
426.47684	4.2
435.28922	27.2
437.30704	6.0
453.30032	24.0
455.31351	5.9
481.29404	14.1
499.30569	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	499.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95490	2.3
58.60869	2.6
70.64044	4.0
70.64381	6.2
71.52930	2.3
74.82420	2.6
83.72897	2.7
91.05486	4.8
107.45132	2.7
117.07008	3.4
118.06573	16.1
130.06535	13.0
132.08069	9.5
143.07312	7.7
144.08083	12.4
146.06009	66.1
154.51245	2.6
159.09171	4.1
170.06020	5.5
188.07077	100.0
205.09723	32.7
229.48285	2.8
294.99326	9.8
424.38467	2.8
487.92151	2.6
520.16187	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	499.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.05530	0.8
57.03428	0.7
65.03935	2.9
69.00846	0.7
69.03438	1.5
69.94875	3.8
70.06590	2.5
81.03410	1.2
81.07060	1.4
85.02910	3.0
92.05020	4.3
96.08123	3.8
98.20822	1.0
105.68699	0.9
122.06000	1.1
124.07581	5.1
126.09161	7.8
138.05533	1.1
138.09146	3.1
148.03976	1.4
150.05528	1.5
152.03481	0.9
152.07080	31.3
154.06599	0.8
166.05011	55.5
176.03458	9.2
182.04503	9.4
194.04524	5.6
198.07838	1.4
199.08633	0.9
200.10799	1.7
209.10786	1.1
211.08687	1.0
212.09335	3.8
215.08150	1.5
225.10277	1.8
227.08025	1.0
227.11737	4.9
228.10173	2.4
229.13316	1.6
233.09233	3.3
240.08894	4.1
241.09727	1.8
243.11301	1.5
253.09737	5.5
254.08282	1.0
255.11317	5.5
257.09271	2.9
257.12790	1.7
259.07202	3.0
261.12271	1.5
270.09854	1.4
271.10840	11.4
272.09137	1.1
273.08768	1.1
273.12271	2.9
283.10782	45.9
284.11514	0.9
288.11157	1.3
289.11771	5.4
301.11844	37.4
302.12115	0.9
319.12891	100.0
320.13235	2.0
481.18054	1.4
499.17902	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	499.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08329	0.9
63.27404	0.9
65.03946	3.3
69.03432	3.1
70.06588	1.9
71.32379	1.2
71.32699	1.3
81.03433	1.3
82.06511	1.0
85.02907	2.3
92.05013	4.2
96.08136	3.4
97.02885	1.4
109.02827	0.9
115.58908	0.9
124.07600	3.3
126.09143	8.5
138.05493	1.0
138.09175	3.5
147.04413	1.4
148.03929	2.1
150.05479	1.6
152.07069	28.4
166.05008	55.6
176.03398	11.1
182.04526	8.3
194.04512	5.3
199.08659	2.3
200.10585	1.9
201.13892	1.0
211.08566	1.0
212.09442	3.9
213.10219	1.2
215.08154	2.7
216.10129	1.0
225.10249	2.7
227.11774	4.7
228.10210	2.2
233.09209	3.9
240.08899	2.0
243.11357	1.6
244.16144	0.9
245.09235	1.2
253.09818	4.6
253.21765	1.1
255.11302	4.7
257.09213	2.8
257.12817	1.4
259.07217	2.8
261.12387	1.4
270.09875	2.2
271.10757	10.7
273.08817	1.7
273.12296	2.6
283.10785	43.2
289.11838	6.5
301.11850	33.5
303.13879	0.9
319.12891	100.0
320.13287	2.4
330.38315	1.2
359.23331	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	499.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	2.7
56.96568	37.0
70.06614	2.0
71.57622	3.1
71.57975	2.1
76.29876	2.2
80.29204	2.1
84.96038	13.2
89.09276	1.9
98.97585	98.4
101.00880	4.5
110.97572	37.2
112.89593	1.9
112.99179	2.2
113.00789	2.4
116.98622	39.0
119.01934	12.1
124.99114	2.7
127.00746	2.1
127.02495	2.3
128.98624	41.0
131.00169	6.0
131.01938	4.9
134.99695	10.2
137.03017	3.1
140.98595	13.7
143.00188	24.8
143.01871	11.6
145.03497	21.4
146.99675	17.5
147.01497	2.2
149.02917	2.9
152.98604	5.3
155.01924	12.8
156.98055	11.5
157.03461	7.5
158.99678	33.0
161.01265	20.7
161.02956	13.2
167.02007	2.6
169.03462	2.8
170.99687	33.0
171.01158	2.6
173.01447	3.0
173.02980	18.1
174.99167	79.1
177.00739	27.4
179.02110	3.3
182.99667	22.1
185.01315	3.3
185.02937	19.0
189.00792	30.4
189.02370	3.8
191.02403	3.1
191.04059	3.3
193.00240	61.3
197.02991	4.1
198.00798	3.0
199.01096	2.5
201.00737	74.2
203.04051	7.2
207.01897	3.0
211.01292	3.5
213.00781	6.0
215.02167	3.4
215.04031	5.7
216.01790	2.8
217.00217	45.7
217.02011	14.2
219.01779	67.8
221.05096	6.3
227.04089	6.0
229.02066	4.4
231.01810	5.4
235.01166	18.9
235.03221	3.6
237.02838	55.2
239.06178	2.3
242.03256	3.1
243.01805	27.3
245.05099	32.9
247.01053	11.1
255.03981	17.6
257.05078	5.5
261.02838	100.0
263.06247	4.1
265.02386	2.5
273.02802	8.5
273.08145	4.8
275.06171	7.8
277.02341	9.8
279.03897	47.7
289.07718	4.2
291.03909	25.1
291.09149	2.8
301.01926	4.4
302.05545	2.7
303.03757	2.8
305.07086	3.9
319.03479	24.9
319.08432	3.1
321.04944	56.8
322.05240	3.3
328.03162	2.2
333.04944	8.3
337.04196	33.7
337.09799	3.0
351.06039	9.3
361.04401	4.6
365.09351	5.1
381.07153	17.7
399.08142	22.2
401.25269	2.4
481.08823	16.2
499.09692	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	498.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72633	0.9
53.80998	0.9
55.05500	3.2
57.07079	33.1
61.01229	0.9
64.06078	0.9
68.00390	0.9
69.07064	1.9
69.69627	6.3
71.08282	1.8
71.08637	25.1
73.06583	6.4
79.05489	1.3
81.07035	1.0
83.08643	1.2
83.20417	0.9
85.10187	20.5
85.36343	1.1
87.04477	5.0
87.69928	0.9
89.06038	100.0
97.10156	2.7
98.20732	1.1
99.11732	4.2
107.07069	2.8
113.13297	1.4
117.09116	3.5
128.48621	0.9
130.08650	2.7
131.07277	1.0
131.08484	1.1
131.44061	1.0
133.08618	48.9
133.10147	1.9
135.10159	1.5
142.49072	1.1
155.17950	4.4
177.11227	18.0
199.20642	2.9
221.13861	3.7
224.04671	1.1
239.14943	2.3
243.23282	7.1
283.17596	1.8
287.25888	4.2
327.20145	10.1
435.98230	1.0
481.37552	10.2
499.33862	1.4
511.01364	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	498.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
55.97335	1.9
67.05504	4.6
69.07058	3.3
71.58611	3.9
79.05487	2.3
81.03420	3.3
81.07072	4.8
91.05478	3.2
93.07040	7.1
95.08586	5.9
100.32837	2.1
105.07015	5.5
107.08598	6.8
109.06509	2.6
109.10149	4.8
119.08593	8.6
121.10165	5.1
127.03860	2.8
130.06483	2.1
131.08553	4.5
133.10153	3.3
134.09650	3.1
135.08086	2.1
143.08524	2.9
145.10109	5.8
146.09666	4.8
147.04401	3.7
147.11664	3.5
157.10201	5.1
159.11673	2.9
161.09717	2.9
161.13243	3.9
169.10153	2.7
171.11536	2.2
173.13264	3.4
174.12775	3.9
176.10765	3.4
183.11671	6.6
185.13333	4.9
187.14842	2.4
188.10754	4.0
197.13280	4.4
199.14778	2.3
201.16457	4.5
202.15898	7.9
203.14236	4.6
215.17856	2.0
216.17497	6.3
244.17041	3.1
253.19427	2.6
258.18454	3.4
267.21277	2.4
308.78091	2.3
315.67160	2.1
390.47986	1.9
421.31128	3.8
456.34711	24.6
457.33383	8.9
498.33298	100.0
499.34149	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	498.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00874	0.4
55.01868	0.5
67.05503	0.7
69.03438	0.5
69.07072	7.8
69.51774	3.0
70.02965	1.4
70.06594	11.7
71.05000	0.7
73.02926	0.5
73.99057	0.3
79.05510	0.6
81.03437	0.5
81.07070	0.6
85.02915	0.5
86.09711	100.0
87.05590	3.6
87.10069	0.6
88.58465	0.4
91.05526	0.5
95.08637	0.4
97.02885	0.8
98.20787	0.8
105.07031	0.5
107.08592	0.9
109.10164	1.0
110.02393	0.7
114.05537	0.6
115.03977	0.5
116.07099	13.4
124.07564	0.5
125.07127	4.1
127.03962	0.6
128.10716	10.7
133.10147	1.5
138.09167	0.8
141.10255	0.6
150.05540	0.7
151.11198	1.6
153.06680	0.5
156.10222	3.3
160.58273	0.4
163.03923	0.4
165.71698	0.4
169.12206	2.5
171.07658	6.1
183.11269	3.4
185.09247	2.4
185.24945	0.4
195.07686	6.7
196.06068	18.8
200.13983	1.4
204.12434	0.7
210.09334	0.4
211.10872	1.9
212.10338	4.1
213.08730	6.2
228.13446	26.0
229.11896	1.1
229.13916	0.5
230.11392	9.4
269.18658	8.3
281.14877	0.5
298.17560	0.6
309.14606	0.7
326.17245	1.4
338.20847	0.9
343.19818	3.3
383.22891	0.9
384.21329	1.3
480.39999	0.4
481.26868	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	497.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.6
53.03954	10.9
55.01881	7.5
55.05516	25.3
57.03439	33.9
57.07063	3.0
58.05275	1.4
58.56075	1.5
61.02932	60.9
65.03943	6.1
67.05511	88.1
69.03438	40.0
69.07079	22.9
69.86758	1.4
70.43133	3.8
71.01355	6.6
71.04991	7.6
73.02924	31.1
73.03555	1.5
75.04469	2.1
79.05057	3.1
79.05502	57.9
81.03426	24.6
81.07065	100.0
83.04997	8.6
83.08620	6.6
84.44653	1.5
85.02910	66.1
85.03435	3.6
85.06548	4.2
87.04452	3.7
91.03965	37.4
91.05489	45.5
93.07050	65.9
95.04981	10.6
95.08615	70.1
97.02901	57.0
97.06539	4.4
97.10181	4.5
98.19283	1.6
99.04465	12.2
99.08099	2.2
101.02394	13.9
103.03962	9.1
103.82179	1.5
105.06312	1.7
105.07033	31.2
107.04977	3.9
107.07881	2.2
107.08606	35.5
109.02891	10.8
109.06535	4.9
109.10165	33.1
111.04443	5.3
111.08095	2.1
113.09643	1.7
115.03914	7.4
117.05480	3.7
117.07021	14.7
119.08588	26.2
121.06541	3.0
121.10149	32.9
121.11011	2.0
121.29917	1.7
123.08082	3.3
123.11732	12.1
125.09647	2.3
127.03938	20.4
128.06195	1.8
129.05481	4.8
129.07002	5.1
131.08578	18.3
133.06473	2.7
133.10143	17.0
135.08038	2.9
135.11728	22.6
137.09615	3.4
137.13234	4.2
139.11229	2.0
141.07028	1.6
143.08566	5.0
145.04974	8.8
145.06500	2.3
145.10133	18.0
147.11713	12.9
149.09634	3.4
149.13289	12.7
151.11209	2.5
155.08604	2.1
157.10130	5.2
159.06544	2.4
159.11679	12.3
161.09688	2.1
161.13263	11.1
163.11192	4.0
163.14862	5.0
169.10110	3.5
171.11639	3.0
173.13313	13.6
175.14845	5.3
177.12779	2.3
177.79041	1.6
183.06593	5.5
185.13271	3.3
187.14868	6.0
197.13229	2.8
199.14828	3.7
201.07562	1.9
205.15869	2.0
213.12903	1.8
243.21109	4.3
259.20767	2.5
261.22208	19.6
275.23672	1.4
285.22046	2.1
301.21606	3.8
303.23242	4.0
317.24847	1.9
319.22806	2.5
335.25830	72.2
335.29901	3.6
345.24448	1.8
351.22787	1.7
363.25250	3.1
369.24316	4.1
377.26700	1.8
387.25162	3.0
393.48291	1.6
415.45224	2.2
443.27942	2.9
454.94809	1.8
461.29117	2.6
479.29874	3.3
497.31131	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	497.1789
Annotation	Steganangin
Peak:m/z	Relative Intensity
61.71109	2.1
71.33212	4.7
76.33279	2.0
78.75535	2.1
81.07053	2.1
98.97553	4.1
109.02871	2.4
123.86639	2.2
127.03893	7.1
173.01266	3.5
244.99599	2.6
305.02786	13.5
403.95972	2.1
453.20508	4.8
497.17905	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	497.1788
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
69.52354	5.2
69.52769	9.8
70.06576	2.7
74.87424	1.8
77.31975	1.9
91.05485	2.8
93.07028	3.2
97.02914	2.4
98.21517	3.1
98.97549	6.7
105.07025	3.1
109.02831	3.2
116.98602	2.3
119.08588	5.1
121.10163	2.3
127.03938	3.5
133.10152	2.2
138.63469	1.8
149.09535	1.9
151.26819	1.7
163.03937	2.5
214.21790	1.8
224.76357	2.0
411.16675	4.0
453.18402	6.8
479.16779	39.0
497.17838	100.0
498.17960	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	497.2903
Annotation	Mikagoyanolide
Peak:m/z	Relative Intensity
53.03955	2.2
55.05526	9.1
57.03418	1.7
57.07074	2.5
67.05505	11.0
69.03442	2.7
69.07062	9.0
69.31764	12.9
69.32184	4.1
71.04977	2.1
78.48895	1.4
79.05502	14.1
81.03422	2.2
81.07066	18.5
83.08605	3.4
85.06549	1.9
91.05483	23.4
93.07053	33.9
94.11590	1.7
95.04990	4.2
95.08618	25.8
97.02936	1.9
97.06554	13.8
98.21513	3.3
103.05489	2.6
105.07042	100.0
105.24225	1.7
107.04947	2.6
107.08602	41.7
109.02888	3.1
109.06522	8.7
109.10171	11.6
109.79649	1.6
111.08080	7.2
113.09689	1.8
115.05426	3.9
116.90156	1.8
117.07037	12.9
119.08588	63.0
121.06515	52.8
121.10151	24.2
123.08080	12.8
123.11731	2.5
127.03925	2.1
128.06236	5.0
129.07036	12.1
130.07802	3.9
131.08578	65.1
133.06493	1.9
133.10133	33.7
135.04538	2.0
135.08057	16.5
135.11673	12.5
137.09633	4.7
138.25630	1.7
139.07587	2.0
141.06995	5.4
142.07809	11.7
143.08551	29.7
144.09369	7.6
145.06448	2.2
145.10136	87.5
147.08073	9.1
147.11690	30.0
149.06029	2.0
149.09605	10.8
149.13283	6.1
151.11182	1.7
155.08574	16.4
156.09392	11.2
157.10139	43.3
158.10918	8.5
159.08089	8.4
159.11697	51.6
160.08871	1.9
161.09625	19.1
161.13261	16.4
163.03914	7.7
163.07654	1.9
163.11224	16.5
163.14844	18.0
167.08618	3.1
168.09390	6.1
169.10120	21.3
170.10933	13.0
171.08037	2.5
171.11710	37.5
172.12321	2.3
173.09691	9.2
173.13275	68.0
175.11209	7.4
175.14851	11.2
176.11899	2.7
177.12737	6.7
177.16441	2.2
181.08694	2.2
181.10091	9.7
182.10913	6.7
183.11719	32.0
185.09709	2.8
185.13274	48.5
187.11232	10.8
187.14824	36.0
189.12779	22.5
189.16414	3.4
191.10716	2.4
191.14333	50.2
193.10182	3.3
194.10959	2.4
195.11662	8.0
197.13269	26.0
199.11208	5.8
199.14838	36.3
201.12744	15.2
201.14380	1.8
201.14690	2.2
201.16393	14.4
203.14323	11.2
203.18153	1.8
205.12289	2.5
205.15865	2.1
207.10091	2.7
207.11877	3.1
207.13809	2.8
208.12640	2.2
209.13243	6.8
211.11166	5.5
211.14792	8.5
213.12848	3.6
213.16446	6.8
215.14302	15.7
215.17944	2.2
217.10269	2.1
217.12285	3.3
217.15921	9.3
219.13812	3.8
219.17398	2.3
221.13336	4.1
223.14893	6.6
225.12733	2.8
225.16341	5.0
227.14218	2.9
227.17946	4.4
229.12195	3.5
229.15836	3.2
231.13870	6.3
231.17470	2.2
233.11629	3.2
233.15549	1.8
235.13101	13.0
239.14365	2.4
241.16080	1.7
243.13857	5.2
243.17525	3.5
245.15457	7.4
249.14842	2.5
251.18021	5.3
253.14499	1.8
255.17363	2.8
261.14783	3.6
265.19629	1.9
287.86630	1.7
359.22168	5.0
359.26697	1.6
369.26047	2.2
371.27579	2.2
386.15585	1.7
387.26736	6.7
389.28394	5.2
405.28076	12.6
407.29578	3.3
409.27518	2.2
415.26343	7.3
417.27802	2.6
423.29150	3.4
433.27402	28.3
434.27777	1.8
435.29047	5.7
451.28491	69.6
452.28531	2.2
453.29703	3.8
461.26935	7.8
469.29904	1.8
479.27930	21.9
497.29019	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	497.1788
Annotation	Steganangin
Peak:m/z	Relative Intensity
50.45497	1.3
55.05512	2.7
60.11632	1.4
68.05030	3.5
69.03450	1.5
70.06591	1.6
70.50716	5.0
71.74184	1.5
79.05473	2.8
81.03419	1.9
81.07058	3.2
83.08622	1.4
83.61511	1.5
84.08134	5.0
85.02896	3.2
93.07025	1.6
95.04977	1.5
95.08601	2.1
100.11280	1.7
105.07020	2.2
106.98595	1.4
109.02901	2.9
118.06525	1.4
127.03903	3.2
128.07085	9.5
145.10161	1.3
146.05960	1.8
147.04453	2.4
163.03853	1.5
219.01637	1.8
230.91701	1.4
231.13747	1.8
237.02855	1.9
242.11638	1.5
293.23767	1.7
359.86844	1.6
411.17154	8.0
429.18134	3.9
453.18692	12.7
497.17819	100.0
498.18274	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	497.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
55.05508	0.3
57.03428	0.4
61.02929	0.4
63.02371	0.3
67.05500	0.3
68.99777	0.6
69.03409	0.5
69.07079	0.3
71.04977	0.5
73.59457	0.2
79.05497	1.8
81.02979	0.4
81.03424	5.7
81.07066	0.5
85.02908	3.6
87.00832	1.3
89.03920	8.5
90.43564	0.2
91.05494	0.5
93.07045	0.5
95.04966	0.7
95.08615	0.3
97.02872	1.0
97.06544	0.3
99.04462	1.6
105.07034	0.5
107.04971	2.2
107.08621	0.4
109.02894	2.3
109.10154	0.3
117.03387	8.8
119.08620	0.2
121.06441	0.3
121.10127	0.3
127.03928	7.5
129.01811	0.2
133.10126	0.3
135.04428	18.7
145.02855	12.8
145.03813	0.3
145.10104	0.2
158.06027	0.2
159.10464	0.2
163.03914	100.0
164.04257	0.6
181.04951	0.5
186.05521	0.5
187.09938	0.7
188.10298	0.2
194.12645	0.2
195.02921	0.2
205.09773	0.2
213.03972	0.8
228.13887	1.4
229.14183	0.3
238.35309	0.3
243.16235	0.7
249.18498	0.2
351.07297	0.4
393.08157	0.7
411.23557	0.3
440.28113	1.0
441.28308	0.5
496.34589	2.0
497.09213	3.8
497.34766	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	497.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.94318	0.2
55.01860	0.5
55.05495	0.3
57.03426	0.7
61.02922	0.6
63.02371	0.5
67.05482	0.9
68.99778	0.6
69.03438	0.6
69.59687	0.4
69.60091	1.3
71.04977	0.4
79.05491	1.9
79.20992	0.2
81.03421	6.3
81.07040	0.9
83.08624	0.2
85.02906	4.4
87.00822	0.9
89.03923	8.6
91.03953	0.3
91.05477	0.7
93.07031	0.8
95.04961	0.5
95.08597	0.7
97.02898	1.2
97.82590	0.2
99.04447	1.0
105.07029	0.6
107.04974	2.4
107.08566	0.3
109.02894	2.0
109.10146	0.5
117.03384	9.9
117.07050	0.3
119.08559	0.5
121.10190	0.3
127.03928	8.0
129.01837	0.7
131.08569	0.4
133.10161	0.4
135.04422	19.1
145.02850	13.1
145.10164	0.4
147.02841	0.2
147.11694	0.3
153.01891	0.3
157.10112	0.3
158.06104	0.3
159.11678	0.4
163.03909	100.0
164.04301	1.1
167.08496	0.2
181.04967	0.5
186.05450	0.4
213.04002	0.6
351.06805	0.4
360.36050	0.3
393.08304	0.6
399.80408	0.2
461.29672	0.2
497.09219	3.2
497.31882	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	496.34
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.7
57.07079	0.7
58.06379	0.2
58.06631	0.5
60.08166	6.2
65.14700	0.1
67.05502	0.4
68.66039	0.2
69.07063	0.2
71.07378	2.9
71.08644	0.5
81.07066	0.4
84.08189	0.1
85.10201	0.2
86.09711	31.8
87.10045	0.2
94.84809	0.2
95.08617	0.5
98.98472	3.5
104.10751	3.4
104.59219	0.1
109.10168	0.2
111.25150	0.2
116.99514	0.2
125.00012	22.0
128.43419	0.2
133.10065	0.2
143.01067	0.2
145.07664	0.1
168.19395	0.1
184.07350	100.0
185.07646	0.7
189.16470	0.4
258.11176	0.2
273.94135	0.2
313.27554	0.2
478.32721	1.1
496.33554	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	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05511	0.3
56.05041	1.2
57.03430	0.5
57.07078	3.2
58.06589	1.4
59.07400	0.2
60.08168	16.9
67.05499	0.8
69.07068	0.6
69.61124	1.2
70.06585	0.2
71.07378	6.4
71.08640	1.7
81.07055	0.8
83.08618	0.3
85.10191	0.9
86.09710	49.9
95.08624	1.1
97.10224	0.2
98.20761	0.5
98.98479	4.0
104.10748	100.0
105.11108	0.3
107.65204	0.2
109.10147	0.4
109.11370	0.2
125.00013	28.7
143.01025	0.2
160.79594	0.2
163.01579	0.7
163.03880	0.4
165.55112	0.2
184.07350	98.0
185.07581	0.3
253.11945	0.2
258.11041	1.4
313.27402	1.8
419.25421	0.3
471.19028	0.2
478.26050	0.4
478.32956	8.8
479.33261	0.2
496.34006	28.1
497.34464	0.6
513.27521	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	496.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78224	0.8
53.03929	2.4
55.05518	7.3
56.05038	8.0
61.02930	1.0
65.03930	0.9
67.05488	1.3
68.05032	33.5
69.03460	4.4
69.03758	0.9
69.07064	1.6
70.06593	3.8
70.63265	2.6
79.05478	4.0
80.05030	2.2
81.03438	4.8
81.07059	22.0
82.06586	18.1
83.04976	2.1
83.08623	11.8
84.08149	94.4
85.02903	5.3
85.08475	1.0
86.06066	2.8
91.05481	2.3
93.07053	2.0
95.04981	0.8
95.08623	1.6
97.02907	6.3
98.09699	19.0
98.20864	0.8
99.04447	2.3
100.07624	7.8
100.11266	2.0
107.04959	1.3
107.08614	1.8
108.04446	1.4
108.08118	3.4
108.08810	0.8
109.02889	6.8
109.06512	3.4
111.04433	1.3
114.05522	1.1
119.08552	1.8
120.08135	1.0
122.05997	0.9
123.04432	1.3
124.07557	2.1
126.05534	2.2
126.09167	28.8
127.03928	4.8
127.37074	0.7
128.07086	100.0
129.07405	1.2
133.06534	1.4
135.04477	1.0
136.07515	1.1
138.09183	0.8
139.03864	0.8
144.10234	6.2
145.04939	1.8
146.08107	0.9
150.09175	2.6
151.01608	0.8
163.03932	8.2
168.06628	5.4
168.10242	1.3
170.08176	2.2
182.15396	1.0
186.07655	10.6
186.11293	2.6
187.06067	1.7
188.09196	12.8
190.08614	1.3
192.10211	3.4
195.17442	0.9
204.10182	2.6
206.11929	1.0
206.28622	0.9
210.14799	1.4
213.18520	1.5
216.10037	0.8
234.11104	4.1
252.12315	12.0
254.10214	1.2
257.09219	2.2
270.13391	20.4
272.11292	1.5
285.08810	1.4
288.14438	18.8
296.11310	3.1
314.12363	15.1
329.11423	1.1
332.13422	21.7
373.10117	1.9
436.10107	0.8
452.23019	3.8
496.21246	4.0
496.26508	0.8
497.18777	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	496.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.05524	6.6
56.05043	6.0
57.03410	1.1
67.05494	2.8
68.05035	33.1
69.03420	4.0
69.07065	1.3
70.06584	3.4
71.58653	1.4
79.05489	3.2
80.05015	2.4
81.03448	4.3
81.07066	19.5
82.06109	1.3
82.06586	16.8
83.04985	1.1
83.08632	13.4
84.08149	78.1
85.02907	4.9
86.06075	4.5
87.04468	1.1
91.05476	1.7
95.04955	1.1
97.02883	3.6
98.09700	17.7
99.04475	1.2
100.07641	8.5
100.11259	2.3
105.07011	1.3
107.04968	1.2
107.08606	1.6
108.04498	1.9
108.08095	2.1
109.02904	5.4
109.06489	2.0
111.04478	1.3
112.03974	1.0
114.05546	1.2
120.89497	1.0
124.07581	2.7
126.05529	1.4
126.09167	31.4
127.03910	5.7
128.07089	100.0
136.07533	1.1
137.05949	1.3
140.07076	1.3
141.49574	0.9
144.10202	6.7
145.05009	1.3
149.56798	0.9
150.09160	1.3
163.03925	9.5
165.09198	1.0
168.06610	4.9
170.08128	1.7
182.15323	1.6
186.07629	11.1
186.11266	2.3
187.06035	1.8
188.09164	11.0
192.10220	3.4
202.13066	1.0
204.10236	1.6
213.18498	1.6
220.66579	0.8
225.85985	0.9
234.11258	3.5
252.12344	9.0
254.10107	1.1
257.09195	2.3
270.13394	19.2
285.08670	1.7
288.14453	19.7
290.12076	0.9
296.11310	2.6
306.51172	1.0
314.12308	15.5
332.13470	21.1
332.55869	0.9
349.46732	1.0
423.84088	2.1
452.22726	3.4
496.21716	5.5
497.19357	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	496.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
56.21758	1.2
57.03431	3.1
68.05023	1.7
69.03431	12.2
70.06588	4.6
70.06974	6.3
81.03417	2.6
85.02920	10.1
86.09634	1.3
87.04472	6.5
97.02899	10.8
98.20843	2.0
108.08131	4.0
110.03648	3.6
114.05541	4.0
115.03947	7.5
125.05995	18.8
127.03906	2.0
133.04979	10.0
136.07634	1.5
137.05995	1.5
139.03940	2.3
152.07005	2.1
153.05479	35.8
154.06273	11.7
166.06184	1.8
167.07033	5.6
170.05757	6.9
178.06227	4.8
181.08661	1.6
182.05753	4.2
185.08105	100.0
194.05756	10.4
197.08044	8.4
209.08096	20.1
227.09163	13.6
235.09599	1.8
251.09140	5.3
263.09219	3.2
281.10242	11.4
298.20087	1.3
299.11224	2.8
314.12268	3.4
416.01010	1.3
478.11115	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	495.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01869	2.9
55.05518	14.1
57.03445	6.1
65.03947	2.5
67.05172	1.1
67.05513	20.6
69.03425	5.1
69.07081	5.7
71.01323	0.9
71.05002	5.4
71.59347	1.3
71.59724	1.5
79.05502	20.4
81.03426	52.3
81.07063	23.1
83.04990	11.8
83.08626	17.5
85.02419	1.8
85.02912	27.4
85.06546	1.8
91.05493	37.4
93.07049	13.9
95.04980	20.8
95.08620	10.5
95.71545	0.9
97.02892	6.1
97.06516	4.5
97.10170	3.4
99.04493	1.4
99.08105	1.3
104.15550	0.9
105.07039	21.1
107.04966	4.0
107.08604	7.8
109.02885	5.9
109.06519	4.2
109.10171	3.5
111.04472	2.7
111.08095	9.4
113.06015	1.8
115.05505	1.0
117.06987	1.4
119.04097	1.5
119.04949	24.7
119.08600	15.9
121.06472	1.2
121.10150	8.3
123.04437	3.1
123.08089	2.1
123.11713	2.4
125.09592	2.0
127.03910	5.9
127.32300	0.9
128.06255	1.2
129.01802	0.8
129.07008	9.1
131.08601	7.7
133.06516	3.4
133.10152	8.9
135.04446	1.5
135.08060	1.6
137.09645	3.1
142.07849	2.6
145.10167	3.4
147.04424	100.0
147.08040	2.3
147.11699	12.4
149.09631	4.9
157.06499	1.1
157.10150	10.6
163.03902	5.1
164.04227	1.6
165.05479	3.2
165.09152	8.5
165.12799	2.5
166.09486	5.4
175.11185	11.6
175.70543	0.9
189.11238	1.1
192.42549	0.9
193.12259	43.5
204.43024	1.0
211.13322	52.1
248.69070	0.9
267.15936	3.5
285.17081	2.4
286.08066	1.1
287.08093	1.6
291.08804	1.5
348.15814	0.9
395.09808	7.1
459.27399	1.1
477.28519	2.6
495.11542	2.6
495.22333	2.2
495.29599	43.9
515.05847	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	495.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19543	0.4
53.03926	0.6
55.01860	0.4
55.05515	2.2
57.03427	0.5
57.07079	1.7
60.04522	2.3
61.04856	0.4
65.03935	0.6
67.05507	7.1
69.03429	2.5
69.07066	4.0
70.06596	0.5
71.04983	1.1
71.58583	0.4
76.81638	0.3
79.05499	2.1
81.03390	0.8
81.07063	6.5
83.04980	1.1
83.08617	1.5
85.02897	1.3
85.06548	7.0
91.05497	1.3
93.07046	4.8
95.04948	0.7
95.08615	4.9
97.02898	0.8
97.06534	1.7
99.08095	0.9
105.07030	1.4
107.04958	0.4
107.08611	4.5
109.02870	0.6
109.06527	0.5
109.10162	9.8
111.08094	1.1
111.11704	0.6
111.36896	0.4
113.05967	0.4
119.08599	3.7
121.06526	0.4
121.10146	1.3
122.07291	2.2
123.04446	0.3
123.08006	0.4
123.11712	3.9
125.09628	6.8
127.07687	0.3
127.11195	1.4
131.08577	0.4
133.10129	0.8
135.08102	0.4
135.11693	2.3
137.09631	10.9
137.13249	0.6
139.11227	0.5
143.08539	0.4
145.02876	0.4
145.10138	1.0
147.04324	0.7
147.11729	0.9
149.09615	0.9
149.13220	1.0
151.11182	0.4
153.12752	2.1
159.11674	0.4
161.13243	0.7
162.94769	0.4
163.03923	1.2
163.14908	0.6
165.09125	100.0
166.09492	1.0
167.03387	0.9
169.12268	0.4
171.13814	13.1
175.14859	0.6
177.09085	0.6
177.16402	0.4
179.10599	0.7
187.11148	0.6
189.09042	0.5
189.12762	0.4
191.10666	0.5
203.17938	0.5
205.12268	6.4
213.03905	0.4
221.19031	0.5
243.42130	0.4
259.24323	0.6
277.25290	1.6
289.25125	0.7
295.26285	3.4
307.26138	1.0
313.27435	0.6
332.28119	0.5
333.28284	2.9
441.33908	1.8
459.34637	0.6
495.16458	1.3
495.26563	0.6
495.33636	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	495.1288
Annotation	Salvianolic acid A
Peak:m/z	Relative Intensity
55.05500	1.1
58.27110	0.4
60.04253	0.6
60.04529	9.0
65.03935	1.3
66.01083	1.5
66.04718	0.5
67.05500	1.7
68.02612	0.4
68.29646	0.3
68.99818	0.4
69.03422	1.0
69.07069	0.5
70.09589	0.9
70.09995	1.2
72.86674	0.4
73.58186	0.5
75.04478	1.0
77.00283	0.5
78.86613	0.4
79.05489	0.8
80.02633	0.7
80.24873	0.4
81.03412	1.3
81.07050	1.5
83.04976	1.5
85.02914	2.7
87.04466	0.4
91.05491	1.9
93.03397	0.8
93.07030	1.2
95.01335	1.1
95.04961	0.8
95.08610	1.1
97.02912	0.9
99.04411	0.4
105.03372	0.4
105.07066	0.5
107.01310	0.9
107.04950	0.8
107.08627	0.6
109.02860	1.2
109.06490	0.5
109.10155	1.2
109.93436	0.4
111.04452	5.0
119.04949	2.2
119.08587	0.8
121.02881	1.0
121.10114	0.6
123.04430	3.2
124.01572	3.1
125.05979	0.7
127.03939	0.6
127.75366	0.4
133.02895	2.1
135.00783	0.8
135.04329	0.5
137.02328	0.4
137.09685	0.4
138.03139	1.0
139.03905	26.9
142.85413	0.5
147.04419	5.5
149.02402	0.7
150.03142	3.9
151.03946	0.9
153.05414	0.5
158.50011	0.4
165.09169	2.7
166.02586	1.0
167.03406	100.0
168.04247	2.1
177.01894	1.8
181.04968	37.1
182.05293	0.5
184.03677	0.6
185.04471	7.3
195.02901	52.1
196.03679	5.6
197.04414	0.8
207.06662	0.5
212.04745	0.6
213.03944	36.2
214.04703	4.1
227.07237	0.6
234.56201	0.4
240.04309	0.5
245.08121	2.1
255.06535	0.9
272.06955	0.4
273.07648	1.3
278.24939	0.5
284.06949	0.4
292.55444	0.4
296.25757	0.7
299.09140	1.0
300.06488	1.0
301.10706	24.7
314.26880	2.0
315.08627	17.4
315.12286	0.8
315.27136	0.4
316.09335	3.3
330.33539	0.5
331.08243	1.2
332.27936	8.2
333.28299	3.0
357.06085	0.7
383.65512	0.4
449.12546	0.5
451.13901	13.2
476.32141	0.4
477.11606	3.0
494.33243	2.0
495.12653	0.9
495.26740	0.6
495.33469	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	494.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34196	0.7
53.03934	1.3
54.95697	0.7
55.01866	1.7
55.05522	4.6
56.05046	4.1
57.03430	2.3
60.04533	84.7
61.02915	2.3
61.09046	0.7
64.22005	0.7
65.68073	0.7
66.32915	0.7
67.05230	0.8
67.05520	9.2
69.03446	7.8
69.07072	5.9
69.47201	2.5
69.47626	3.3
70.06590	0.9
71.04985	1.1
72.04507	3.2
73.02905	2.2
74.06077	4.8
79.05508	5.4
81.03422	4.6
81.07070	12.2
82.06574	2.2
83.04977	1.0
83.08618	2.6
83.48504	0.7
84.04520	1.4
84.08144	0.9
85.02912	23.6
86.06080	2.4
87.04472	1.0
90.05564	1.1
91.05492	4.8
93.07043	7.4
94.06562	1.5
95.04967	1.8
95.08615	9.0
96.08121	1.4
97.02900	7.5
97.06551	2.1
98.06062	1.2
99.04440	1.6
102.05534	2.6
104.07126	1.8
105.07039	3.9
107.08628	4.6
109.02882	3.4
109.10180	4.6
110.09704	0.9
112.07645	0.9
117.03385	1.1
117.07039	0.9
119.08603	4.8
121.10172	3.7
123.04397	1.3
123.11739	1.6
124.34362	0.7
127.03915	4.7
131.08537	1.5
133.10153	3.6
135.11710	4.0
145.02853	1.4
145.04941	2.1
147.04381	0.8
147.11696	1.5
161.13345	0.8
163.03923	2.5
163.11230	1.0
175.14845	2.9
177.05473	3.0
188.09219	2.0
193.15912	3.0
204.08797	0.9
211.16963	4.6
224.11343	2.2
244.09647	3.8
248.23796	1.1
249.22763	0.9
255.89586	0.8
260.23831	1.9
262.10693	3.6
278.24802	7.0
285.07944	0.9
286.07990	1.1
287.61557	0.8
296.25839	11.7
314.26923	16.9
327.16714	0.7
332.27979	100.0
333.28424	1.8
356.28171	1.0
374.29074	2.3
424.15753	1.0
440.30234	2.2
458.31229	1.7
476.32156	5.2
494.12714	1.2
494.21341	1.4
494.33270	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	494.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01870	1.6
55.05510	5.3
56.05031	3.6
57.03428	3.5
58.06596	1.1
58.11705	0.9
60.04528	97.3
61.02914	2.5
65.10159	0.9
67.05505	11.6
69.03439	8.8
69.07068	7.0
70.88349	2.3
71.04965	2.1
72.04507	2.9
73.02914	1.7
74.06076	3.0
79.05482	6.6
80.05002	1.1
81.03419	5.5
81.07063	13.7
81.70121	0.9
82.06586	3.3
83.04971	1.4
83.08615	3.8
84.04515	2.3
84.08145	2.3
85.02908	25.8
86.06055	2.5
87.00837	1.5
90.05535	1.5
91.05481	5.8
93.07052	7.7
94.06562	3.2
95.04956	2.0
95.08608	13.5
96.08137	1.4
97.02919	6.2
97.06509	2.2
97.10166	1.2
99.04456	3.1
102.05582	2.2
103.48345	0.9
103.60184	1.1
104.07104	2.9
105.01860	1.5
105.07037	4.6
106.06613	1.1
107.08578	5.6
109.02885	2.8
109.05797	1.0
109.06512	1.9
109.10147	7.5
111.08091	1.1
112.07631	1.2
119.08577	4.7
121.10144	5.9
123.08083	1.7
123.11697	2.7
127.03937	6.2
131.08563	1.9
133.10149	8.6
135.11707	6.8
137.09659	1.4
145.02824	1.7
145.04968	2.7
147.04454	1.7
147.11710	2.2
149.13257	1.9
154.08615	1.1
162.05632	1.0
163.03859	2.4
164.04181	1.2
165.12718	1.0
172.09628	1.4
174.96826	1.1
175.14839	11.1
177.05458	2.9
193.15906	8.7
200.85333	0.9
206.10255	2.1
211.16933	14.1
224.11293	2.8
254.82690	1.1
260.23700	1.3
278.24817	7.6
296.25815	7.8
314.26904	18.1
315.27362	1.5
332.27951	100.0
333.28302	1.0
374.29129	2.7
440.30038	3.5
454.25092	1.1
458.31445	6.5
473.15021	1.2
476.32022	4.9
494.33234	54.0
495.33490	1.9
509.01462	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	494.3244
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05512	1.8
56.05041	1.7
57.03426	0.5
58.06610	1.2
60.08169	17.2
67.05511	1.1
69.07068	2.4
70.49644	1.1
71.07380	6.3
71.08657	0.5
71.67493	0.4
77.61974	0.5
81.07077	2.1
81.07467	0.4
83.08632	1.7
86.09711	51.1
87.04474	0.5
93.07051	1.1
95.08611	1.4
95.59482	0.4
97.06511	0.4
98.98470	4.6
99.17382	0.4
104.10752	100.0
105.11070	0.6
107.08599	0.7
107.55389	0.4
109.10177	0.7
121.10103	0.7
125.00013	28.5
125.57877	0.4
163.01529	0.8
184.07355	98.4
185.07809	0.5
193.04985	1.0
258.11029	1.0
284.29501	0.5
289.62921	0.4
303.20966	0.4
311.25888	1.7
476.31433	7.8
494.32465	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11346	1.3
53.03950	2.4
55.01868	4.6
55.05517	11.4
56.05025	2.5
57.03436	5.5
57.07062	1.7
57.62146	1.5
60.04531	55.8
61.02929	2.5
65.73839	1.5
67.05510	16.4
69.03432	12.8
69.07066	19.3
70.06591	2.2
71.05006	9.0
71.58585	2.2
73.02900	2.5
74.06074	1.7
79.05502	10.6
81.03429	13.9
81.07057	19.1
83.04993	2.1
83.08636	9.0
85.02905	27.6
85.06544	2.6
87.00824	7.1
87.04453	1.6
89.94478	1.6
90.05536	1.7
91.05483	9.1
93.07050	21.6
94.06581	2.0
95.04977	4.5
95.08611	33.3
97.02902	14.0
97.06530	11.5
98.06042	1.8
99.04482	8.4
101.02376	1.4
102.05573	1.9
103.05432	2.2
104.07106	1.7
105.01855	8.3
105.07039	7.7
107.08602	23.5
109.02872	7.0
109.06517	6.9
109.09451	3.2
109.10164	44.1
111.04420	1.9
111.08089	2.6
111.11708	3.1
115.03938	1.6
115.07557	7.8
117.07042	1.9
119.08584	16.5
121.10145	17.0
123.04407	2.5
123.08085	5.9
123.11705	12.8
125.09638	2.9
127.03949	14.6
127.11216	6.3
129.01785	1.7
131.04936	4.6
131.08528	2.5
133.10135	33.7
135.08099	1.5
135.11702	37.1
137.09631	5.3
137.13237	2.2
145.04941	5.9
145.10114	1.8
147.04463	2.6
147.11679	4.2
149.13251	10.2
153.12784	3.8
155.10719	2.6
159.02905	2.4
163.03903	5.2
164.04231	1.9
165.12811	3.5
167.03436	2.2
175.14841	55.5
177.16394	38.3
181.04924	2.4
185.78453	1.8
193.15898	69.0
195.02927	1.7
204.54305	1.6
206.10440	1.6
211.16946	100.0
213.03905	1.5
229.14328	2.0
231.05161	2.6
246.11102	7.9
278.24796	6.1
280.94122	1.5
296.25885	5.9
314.26926	11.7
325.11765	1.8
332.27963	58.2
354.09201	1.7
374.29120	2.1
440.29965	2.3
458.31113	3.8
476.32370	2.4
494.17981	2.0
494.26257	2.5
494.33282	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01866	5.0
55.05502	11.0
56.05041	2.7
57.03427	5.6
60.02738	2.9
60.04254	2.9
60.04535	50.8
61.02922	3.3
66.42667	2.7
66.47008	3.0
67.05513	14.3
69.03422	11.2
69.07072	24.0
69.54708	6.3
69.55126	14.1
71.04974	9.0
73.02914	3.3
74.06103	3.3
79.05466	8.7
81.03428	14.1
81.07058	25.2
83.08609	13.2
85.02915	34.2
85.06530	4.3
87.00834	9.3
91.05480	7.7
93.07047	18.3
95.04952	5.4
95.08611	37.7
97.02911	14.4
97.06516	13.2
99.04459	9.8
105.01833	8.2
105.07016	5.5
107.08604	33.9
109.02869	10.8
109.06520	8.9
109.09463	4.2
109.10172	48.7
111.11703	3.4
115.07568	7.8
119.01326	3.0
119.08589	23.6
121.10159	18.9
123.08031	5.5
123.11710	18.0
125.09606	5.6
127.03926	15.0
127.11182	9.2
133.10149	37.8
135.04385	2.7
135.11702	43.9
137.09583	5.2
139.45467	3.2
145.04919	5.8
147.11674	4.7
149.13281	12.0
153.12759	4.2
163.03903	6.6
167.03403	3.7
175.14844	58.5
177.16412	35.8
193.15910	77.9
211.16953	100.0
213.03889	4.3
229.14565	6.6
229.61765	2.9
246.11301	9.3
296.25964	3.8
302.54559	3.1
314.26880	13.0
332.27991	60.8
458.31055	11.8
494.11710	3.6
494.33316	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	493.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
51.52505	0.8
53.03938	1.5
55.01876	1.2
55.05492	2.0
63.59046	1.0
67.05507	7.9
69.07072	2.9
69.55052	4.2
69.55460	2.3
77.03942	0.9
79.05485	5.5
81.03425	4.8
81.07057	11.9
83.04981	3.2
83.08626	1.7
85.02903	2.1
89.03922	5.2
91.05477	5.0
93.07066	4.7
95.04972	3.9
95.08606	5.4
97.06496	1.5
97.10181	1.6
105.03386	1.0
105.07041	2.5
107.04962	3.3
107.08597	3.0
109.06537	1.5
109.10152	5.7
117.03381	4.2
117.07050	1.2
119.08585	3.9
121.10141	3.6
122.07305	2.5
123.04430	59.3
123.11719	3.7
124.04805	0.9
131.08563	1.2
134.03647	3.7
135.04425	20.2
135.08110	0.8
135.11729	1.5
137.02322	2.1
137.09608	11.2
139.11121	1.0
145.02866	4.0
147.04425	2.8
147.11586	1.2
149.09668	3.6
149.13271	2.9
160.05161	2.0
163.03911	77.2
163.11205	2.7
164.04294	2.2
165.09119	100.0
166.09456	1.3
177.05470	1.3
189.12859	1.2
191.03394	18.4
193.12279	3.2
199.99011	0.9
203.10788	1.3
204.04158	1.7
205.12198	7.1
209.04390	1.7
211.13257	2.2
211.72420	0.9
221.05986	3.2
239.07027	2.0
249.05536	2.2
250.06265	1.2
251.07176	1.5
255.06635	1.7
267.06525	4.2
268.07318	4.0
271.06046	3.7
278.05664	1.2
279.06662	1.7
285.07574	48.1
286.07962	1.5
295.05984	4.9
297.07413	1.4
299.93066	1.1
305.24792	4.1
313.07114	11.8
331.07916	5.1
337.07300	1.2
371.07382	1.4
383.09180	1.1
439.32028	2.2
457.33249	1.4
475.09723	1.3
493.11282	51.3
493.27188	4.8
494.11664	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	493.2814
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03947	0.2
55.05257	0.3
55.05515	4.1
56.05034	0.3
56.93880	0.2
57.05818	0.5
67.05521	0.4
69.41431	0.7
69.41855	0.6
72.08160	44.5
74.98242	0.2
79.05481	0.4
81.07063	0.3
82.38402	0.2
85.35433	0.2
86.09714	0.5
91.05504	0.7
93.07060	1.0
95.05002	0.3
100.07597	0.3
103.05460	2.3
104.10760	0.9
105.07032	0.2
105.11093	0.3
115.65041	0.2
117.06968	0.2
120.08114	100.0
121.08444	0.5
123.04472	0.2
125.00069	0.4
125.74310	0.2
126.12756	0.4
130.06509	0.2
131.07246	0.2
147.37097	0.2
171.14931	6.9
174.12799	3.0
181.13420	0.2
184.07329	1.1
185.07642	0.2
199.14427	6.5
199.16298	0.3
209.04509	0.4
219.14935	15.6
222.12758	0.6
247.14444	17.9
248.14864	0.3
267.14935	6.9
273.19626	1.3
295.14432	11.5
296.14877	0.2
301.19110	3.0
321.19568	0.6
328.20242	0.5
346.21274	5.4
349.19058	1.5
394.16727	0.2
394.21283	3.6
448.25867	0.5
465.28525	0.5
493.27740	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	493.1684
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
52.20667	0.9
57.21645	0.8
60.41708	0.9
71.58955	1.5
81.03409	1.1
97.02907	1.0
147.04353	0.8
163.03880	1.1
177.05540	2.1
178.05824	1.3
246.90512	0.9
290.23831	0.9
322.28351	0.9
493.16882	100.0
494.17603	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	493.2799
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.01596	1.4
51.02371	1.3
53.03952	8.2
55.01878	16.8
55.05513	45.1
57.03442	16.2
57.07068	2.2
59.04998	4.7
60.38208	1.2
65.03937	3.8
67.05508	47.5
68.27715	1.2
69.03428	6.4
69.07067	13.9
69.52945	10.0
69.81512	1.2
71.01368	2.6
71.04994	12.6
79.05495	57.5
79.35736	1.3
81.03421	89.2
81.07060	51.8
83.01338	8.1
83.04987	33.9
83.08135	2.6
83.08622	36.9
85.02911	39.4
85.06544	4.5
91.05483	57.6
93.07048	55.4
95.04975	45.7
95.08611	22.8
97.02902	4.6
97.06534	11.8
97.10168	8.8
99.04472	3.8
99.08080	1.6
103.05504	1.9
105.04500	1.8
105.07034	41.1
107.04958	17.5
107.08594	24.5
109.02886	1.7
109.06522	12.9
109.10159	9.6
111.04442	9.2
111.08075	16.2
113.06010	3.5
115.05491	2.9
117.07018	14.8
117.43360	1.3
119.04916	2.1
119.08584	32.9
121.06541	8.3
121.10158	22.5
123.04425	16.0
123.08075	11.3
123.11696	3.1
125.06004	2.5
125.09628	4.4
128.06241	1.9
129.07028	14.0
130.07796	1.7
131.04991	2.0
131.08582	15.4
133.06496	4.4
133.10150	10.9
135.04437	4.4
135.08075	4.8
135.11703	16.6
137.02348	1.3
137.05984	1.9
137.09630	4.4
142.07785	4.5
143.08603	3.3
145.06435	2.2
145.10130	23.7
146.07329	2.2
147.04427	3.6
147.08101	6.3
147.11688	15.4
149.09604	6.1
151.11194	1.5
153.07106	1.3
153.12798	6.1
155.08618	3.1
157.10136	14.8
159.04533	1.3
160.05182	3.2
161.02492	1.4
161.06090	1.6
163.03926	17.8
163.11203	37.9
165.09077	2.3
165.12730	4.8
173.09669	5.3
175.11198	17.9
175.23099	1.3
177.09084	3.0
181.12225	7.2
191.03392	10.0
191.10680	3.9
193.12254	75.7
197.06126	1.9
205.12326	1.6
209.11731	8.7
209.13443	1.7
211.13307	79.9
212.13722	1.5
221.06024	2.1
227.12773	7.2
249.05673	1.5
250.06268	1.8
255.06526	2.5
267.06534	3.1
267.15927	4.3
268.07297	7.6
283.15411	3.2
285.07675	7.1
295.06042	3.1
296.06714	2.4
313.07056	7.9
319.06171	4.2
347.05457	2.4
383.22137	5.2
401.23309	3.1
475.26874	5.3
478.19293	1.7
493.12088	6.8
493.28000	100.0
494.28467	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	493.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.6
55.05476	1.5
67.05466	1.5
67.49265	0.8
68.27389	0.7
69.03398	1.4
69.07027	1.1
71.60301	1.0
72.21104	0.7
79.05452	1.6
81.03407	1.0
81.07024	3.1
82.38280	0.7
85.02858	1.0
86.64477	0.8
91.05421	2.7
93.07018	1.2
95.04911	1.0
95.08553	2.7
97.02892	0.8
105.07007	1.9
107.04953	1.2
107.08543	1.7
109.10086	1.9
110.35528	0.7
117.03370	1.2
119.08541	0.8
121.06438	2.1
121.10134	1.0
123.04453	6.2
125.09660	0.7
127.03861	0.7
129.07010	0.9
131.08492	1.4
134.83739	0.7
135.04373	2.5
137.02313	1.3
137.05936	1.5
137.09576	0.7
145.02840	1.3
145.10080	1.9
147.04393	1.9
151.11137	0.8
157.10092	1.2
163.03918	10.0
165.09070	4.6
166.09415	2.3
171.00575	3.5
185.09660	0.8
191.03427	3.6
201.05634	1.4
205.06554	1.1
240.55011	0.7
245.07869	100.0
246.08270	1.6
249.05527	1.0
267.06522	1.6
268.07303	1.8
271.04254	19.4
271.07065	1.3
285.07483	3.3
295.05972	1.0
313.06949	3.3
319.06271	1.1
326.11188	1.1
338.11157	1.0
449.14270	6.8
463.19751	1.4
493.13190	29.7
493.28979	1.7
494.13327	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	493.1134
Annotation	Salvianolic acid C
Peak:m/z	Relative Intensity
51.91991	0.6
53.03935	1.6
55.01869	1.1
55.05516	0.9
55.28925	0.6
60.04529	3.7
61.04877	0.7
63.02386	0.7
65.03919	1.3
67.05496	3.2
69.03419	0.8
69.52596	5.3
70.06583	0.8
77.03930	1.1
79.05496	4.2
80.78452	0.8
81.03412	2.3
81.07049	2.3
85.02896	1.8
89.03925	8.1
91.05490	3.6
93.03387	0.6
93.07075	1.3
93.20148	0.6
95.04951	3.2
95.08600	2.4
97.02892	2.3
98.21555	1.3
103.05441	1.1
105.01866	0.7
105.03369	1.6
105.07017	1.2
107.04967	4.5
107.08606	1.7
109.02904	1.4
109.10161	1.0
111.04442	2.1
114.78251	0.7
115.05482	1.1
117.03391	8.0
117.07024	0.7
119.05019	1.1
119.08569	0.9
121.10139	1.7
123.04437	60.9
123.08115	0.8
125.09631	0.7
127.03909	1.2
128.64520	0.7
131.04918	3.0
131.08563	1.3
133.02817	1.7
134.03639	3.0
135.03395	1.2
135.04430	23.3
135.07983	1.2
135.11670	0.8
137.02344	5.2
137.05917	1.5
137.09634	0.9
139.03891	1.9
141.06996	1.2
145.02856	8.7
145.10112	1.0
147.04401	8.8
151.03934	1.5
153.07050	1.2
155.08597	0.8
158.06013	0.8
159.04434	2.7
160.05232	8.0
161.02362	1.1
161.06036	2.2
163.03917	100.0
163.11172	0.9
164.04259	0.7
165.07013	3.6
165.09114	3.6
167.08604	1.0
169.06480	1.6
173.02362	0.9
175.03905	4.9
176.04752	1.2
176.06221	1.6
177.05470	2.9
177.06918	0.8
179.03410	2.9
181.05002	1.9
181.06479	0.9
187.03917	1.7
187.37163	0.7
191.03412	23.1
193.06505	2.1
193.12114	0.6
194.07346	1.1
195.08118	1.1
197.06026	2.9
203.03447	0.9
204.04196	1.7
204.05847	0.9
205.04869	1.5
205.06563	3.2
209.04482	2.3
210.06853	1.0
211.07544	2.3
215.07079	1.3
221.05974	7.8
222.06714	1.6
223.07646	3.4
224.98053	0.7
225.05545	1.9
226.06136	1.0
233.06062	1.0
237.05627	1.3
239.07039	8.2
242.05748	0.8
243.06595	2.0
249.05524	6.6
250.06197	3.5
251.07088	5.9
253.04970	1.7
254.05817	0.7
255.06509	5.5
257.08136	1.2
263.07031	1.2
265.05057	2.1
266.05524	1.2
267.06546	12.9
268.07315	16.5
269.08093	3.7
271.06116	3.6
277.05109	1.3
278.05600	1.3
279.06638	3.5
283.06107	1.0
285.07587	36.0
286.08057	0.9
291.06607	1.6
295.05994	10.9
296.06677	1.6
297.07532	2.1
303.07025	0.7
313.07053	25.3
314.07867	1.7
315.27209	0.9
319.06036	4.9
321.07623	1.9
331.08066	7.0
333.28302	0.9
337.07288	2.1
347.05536	4.4
355.09106	0.9
365.06537	4.3
371.07089	0.9
383.08228	1.7
393.07819	1.5
411.08493	1.2
429.09644	5.5
439.08084	2.2
447.10733	1.4
457.09296	3.1
464.58276	0.8
475.10483	1.7
493.11255	38.5
493.31726	0.9
494.11771	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	493.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.5
58.32332	1.8
65.03920	2.1
67.05492	7.3
69.47397	5.4
69.47823	8.6
77.03947	1.8
79.05499	8.6
81.03408	5.0
81.07041	4.4
83.08637	2.5
85.02862	3.0
88.53098	1.6
89.03903	10.2
91.05476	9.4
93.07037	6.5
95.04951	6.8
98.21480	3.5
103.05428	3.0
105.03397	5.2
105.07037	2.3
107.04951	5.8
107.08541	2.5
109.02872	2.7
109.10175	2.5
111.04483	2.8
117.03378	8.5
117.07015	2.3
119.08557	2.4
123.04432	96.9
131.04909	8.5
131.08586	2.5
133.02864	23.6
135.04417	25.4
137.02379	8.7
139.03938	3.2
145.02859	9.2
147.04419	19.6
151.03954	10.9
157.10118	2.7
159.04445	10.7
160.05228	27.2
161.02365	3.3
161.05986	8.2
163.03917	80.8
164.04475	2.0
165.07008	7.5
175.03912	7.0
176.06207	2.9
177.05505	4.9
179.03351	6.8
181.05089	2.2
181.06528	3.5
187.03937	6.4
191.03403	79.8
193.06519	4.0
193.12251	3.3
194.07167	1.8
197.05948	6.6
204.04161	5.4
205.04939	4.8
205.06487	6.3
211.07396	3.6
211.13268	4.4
221.05980	16.3
222.06769	5.7
223.07558	9.9
225.05547	2.3
226.06229	2.1
227.12891	2.1
233.06165	3.7
237.05446	5.5
239.07079	11.0
242.05717	2.4
243.06464	3.9
249.05531	11.3
250.06306	10.7
251.07047	14.3
253.04962	3.2
255.06522	15.9
265.05112	3.0
267.06537	26.4
268.07303	61.9
269.08096	12.0
271.06073	2.8
273.05484	2.5
278.05698	4.1
279.06570	9.2
283.05981	3.0
285.07602	10.7
291.06558	5.3
295.06027	27.1
296.06757	7.4
303.06519	2.6
313.07074	100.0
314.07556	5.4
319.06009	18.4
321.07709	9.9
323.05374	3.3
337.07324	6.5
347.05515	22.1
348.47385	1.9
365.06564	11.6
383.08316	7.9
393.07281	4.0
411.08536	6.9
427.07974	2.1
429.09695	17.5
439.08148	4.8
445.09299	2.4
447.10687	3.7
457.09097	9.5
475.10107	6.5
493.04590	3.6
493.11337	50.0
493.28079	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	493.1132
Annotation	Isosalvianolic acid C
Peak:m/z	Relative Intensity
55.01855	2.4
58.64119	2.0
65.03944	2.5
65.75661	1.9
67.05502	4.4
68.99775	2.8
78.58124	1.9
79.05499	5.8
81.03413	2.9
81.07119	3.6
89.03917	10.9
89.43204	1.8
91.05488	4.9
95.04972	4.3
98.21533	4.5
103.05515	2.8
105.03400	4.6
107.04963	5.0
109.02872	3.1
111.04486	2.6
115.05479	3.3
116.66190	1.9
117.03336	10.0
123.04438	100.0
130.97699	2.1
131.04932	8.9
131.08687	2.5
132.05740	2.2
133.02864	20.4
134.03673	2.5
135.04439	28.4
137.02362	12.2
137.73071	1.8
139.03928	3.2
145.02861	7.5
147.04433	24.5
151.03920	6.2
159.04381	10.0
160.05206	35.1
161.02345	5.5
161.05974	7.9
162.03084	2.0
163.02545	3.5
163.03915	69.3
164.04205	2.3
165.07042	6.9
169.06479	2.3
173.02391	2.8
175.03891	14.8
176.06273	4.5
177.05481	3.1
177.07047	2.3
179.03427	11.3
181.06541	3.0
187.03928	8.3
191.03409	93.1
193.06517	4.6
194.07274	2.5
197.06021	8.6
204.04205	7.8
205.04890	4.1
205.06552	9.2
211.07486	4.4
216.55865	1.9
219.07872	2.6
221.06006	20.8
222.06816	11.4
223.07579	14.1
225.05653	4.3
233.06091	4.9
237.05466	7.6
239.07137	13.7
242.05852	2.3
243.06601	3.7
245.05840	2.6
247.07593	2.5
249.05490	19.2
250.06244	15.1
251.07025	19.8
253.04991	3.2
255.06548	24.7
259.97018	2.4
263.07083	2.6
265.05023	8.4
267.06552	29.4
268.07327	81.6
269.08081	13.3
271.06049	2.5
273.05447	2.7
275.06982	2.2
277.04922	4.3
278.05716	9.5
279.06604	11.0
281.04376	2.2
283.06039	3.4
285.07581	12.4
291.06534	8.6
293.08017	2.3
295.05981	34.1
296.06760	8.3
297.07751	3.3
301.04932	3.4
303.06497	3.5
313.07059	93.1
313.10687	4.8
314.07800	11.9
319.05917	16.6
321.07608	13.5
337.07248	4.9
347.05490	24.4
365.06674	14.1
383.08096	3.8
393.07590	2.6
411.08691	9.3
427.07928	4.1
429.09668	21.9
439.08264	10.8
447.10074	3.3
457.09119	9.2
475.10077	7.7
493.11343	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	493.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.6
52.78947	0.9
53.03938	1.6
55.01871	2.6
55.05497	3.7
57.03436	1.1
65.03951	1.2
67.05514	6.4
69.03425	1.2
70.02116	4.7
71.04984	1.5
77.03922	2.2
78.16539	1.0
79.05489	8.0
79.52044	0.9
81.03424	8.0
81.07085	6.4
83.04977	2.6
83.08608	3.1
85.02902	3.3
89.03925	8.9
91.05480	9.2
93.07055	4.0
95.04989	7.2
95.08617	3.3
95.74303	0.8
97.06490	1.2
98.20794	1.3
103.05439	1.3
105.03387	2.8
105.04537	1.1
105.07042	3.1
107.04987	7.0
107.08612	4.8
109.02892	1.3
109.06528	1.1
109.10147	2.0
111.04462	1.8
111.08107	1.7
115.05467	1.1
117.03385	6.6
117.07050	1.7
119.08588	2.6
121.10124	3.2
123.04437	100.0
131.04962	5.4
131.08566	2.4
133.02859	5.4
133.06454	1.1
133.10159	1.1
134.03645	2.6
135.04427	29.5
135.11674	1.5
137.02357	11.4
137.09621	1.4
139.03885	1.6
145.02864	6.2
145.10115	1.4
147.04404	12.3
147.11746	1.8
149.09656	1.4
151.03928	2.6
157.10150	1.1
159.04384	5.9
160.05203	18.7
161.02301	1.7
161.05966	5.4
163.03917	90.1
163.11177	2.6
164.04276	1.7
165.07054	1.9
165.09128	10.0
169.06525	1.6
175.03909	6.8
175.11230	1.8
176.04712	2.2
176.06203	2.2
177.05537	2.2
177.07022	1.6
179.03400	3.5
181.06517	1.7
183.49086	1.1
187.03920	3.1
189.07153	1.1
191.03407	58.9
193.06480	3.1
193.12279	5.1
194.07216	1.8
195.08138	1.2
197.06039	3.4
197.34508	1.1
204.04189	3.6
204.05859	2.2
205.04875	2.2
205.06638	4.5
209.04442	1.4
211.07536	2.6
211.13339	5.9
221.05974	9.6
222.06712	3.2
223.07524	6.1
225.05560	1.7
226.06233	1.1
231.06607	1.5
233.06250	1.8
237.05501	3.5
239.07034	7.5
240.07788	1.2
242.05806	1.1
243.06570	1.8
247.07645	1.1
249.05498	8.5
250.06303	7.3
251.07048	8.2
253.04922	2.9
255.06480	11.4
256.07324	1.4
257.04266	1.2
263.06992	2.1
265.04977	3.1
266.05704	2.1
267.06525	14.3
267.15948	1.6
268.07333	36.8
269.08163	6.1
271.06015	4.7
273.05524	1.8
275.07037	2.3
277.04935	3.3
278.05826	4.7
279.06461	5.9
283.05917	1.4
285.07596	39.8
291.06586	4.0
295.06024	15.8
296.06805	5.2
297.07629	2.6
303.06287	1.1
309.09296	1.7
313.07047	50.2
314.07791	3.0
319.06021	11.3
321.07678	6.7
331.08142	3.9
335.05475	1.2
337.07141	5.4
347.05472	8.9
355.09503	1.7
365.06580	4.7
371.07739	2.6
383.08621	4.6
387.08548	1.0
393.07416	2.1
401.10178	1.4
411.08743	2.9
427.08252	1.8
429.09680	12.8
431.07648	1.2
439.08179	2.9
445.09241	2.0
447.11035	2.9
457.09116	4.4
470.93237	1.1
475.09973	4.5
493.11334	64.4
493.27487	8.5
494.11636	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	493.1132
Annotation	Salvianolic acid C
Peak:m/z	Relative Intensity
51.02375	1.4
53.03951	1.2
55.01866	1.3
56.14733	0.8
56.58610	1.0
65.03933	1.1
69.46005	6.5
70.64271	0.9
77.73346	0.9
79.05505	2.3
81.03425	2.0
82.55033	0.9
89.03932	7.4
91.05489	3.0
95.04960	2.0
96.51521	1.0
105.03383	2.9
107.04984	4.6
107.05617	0.9
109.02894	2.0
115.05540	1.0
117.03410	5.8
123.04440	80.0
123.82105	0.9
131.04903	4.6
132.05707	1.0
133.02843	3.5
134.03676	4.8
135.04425	24.0
137.02376	7.1
141.06982	1.3
145.02864	5.6
147.04417	11.6
149.02315	1.3
151.03905	1.2
157.69408	1.0
159.04449	4.1
160.05220	15.8
161.02319	2.0
161.05998	4.6
163.03923	100.0
164.04292	1.6
165.07086	3.0
165.09079	1.4
166.12003	0.9
175.03870	4.9
176.04787	1.9
176.06177	1.8
177.05566	2.3
179.03398	4.9
181.06512	1.9
187.03973	2.4
191.03412	32.1
193.06520	2.3
194.07414	1.0
195.08060	2.0
197.06061	3.7
201.06876	1.1
203.03494	1.1
204.04150	4.4
205.04958	2.4
205.06549	4.0
209.04495	2.5
211.07538	2.8
213.05351	1.2
215.07137	1.2
221.06036	8.9
222.06827	3.1
223.07600	5.1
225.05495	1.2
233.06111	2.5
237.05556	3.2
238.65594	0.9
239.07048	6.9
243.06548	3.1
247.07607	1.9
249.05531	6.3
249.19427	0.9
250.06203	5.6
251.06963	7.2
253.04883	2.1
255.06537	9.6
263.06992	1.3
265.04950	2.5
267.06509	15.9
268.07321	37.8
269.08206	6.2
271.06158	5.9
277.04990	1.8
278.05826	3.4
279.06641	4.5
283.06024	1.5
285.07599	56.7
286.07910	1.7
291.06573	4.0
295.06021	11.9
296.06760	3.7
297.07516	2.7
303.06689	1.6
313.07053	31.5
314.07800	3.5
319.05972	10.1
321.07578	5.2
323.05460	1.5
331.08142	6.3
337.07510	3.2
347.05417	8.4
365.06641	5.6
371.07602	1.2
383.08429	3.6
401.10141	1.3
411.08752	3.5
427.07974	1.2
429.09671	9.8
439.08270	3.2
447.10901	3.9
457.09363	4.5
475.10352	3.4
493.11331	57.8
494.11588	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	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38046	5.7
53.03939	5.9
53.15291	4.3
55.01872	7.4
55.05509	10.7
57.03433	7.3
57.04522	3.9
57.95518	4.1
67.05502	5.8
69.03439	23.2
69.07057	9.7
70.06582	7.0
70.94394	11.3
71.32125	5.1
79.05500	19.2
81.03426	5.3
81.07088	22.2
85.02905	24.2
87.00836	8.3
87.04485	8.0
91.05475	16.6
93.07045	14.9
95.04980	10.1
95.08619	11.7
96.08152	12.5
97.02923	28.2
99.04537	5.3
105.01894	7.6
105.07044	14.2
107.08615	68.8
108.08123	7.2
109.02881	13.1
109.06506	8.6
110.09689	20.0
119.08620	6.9
120.08133	13.1
121.10152	21.3
123.08071	17.9
124.08419	8.5
125.09629	5.0
127.03954	9.7
132.91078	5.2
133.04959	6.1
133.10178	11.5
135.04446	15.3
135.08022	5.0
135.11673	12.3
135.71420	5.1
136.07628	8.5
137.05946	6.5
138.09143	16.1
145.02847	7.4
145.04932	5.1
147.04402	7.2
147.11723	10.1
148.07585	5.5
154.08710	5.1
161.04468	7.3
161.13286	22.0
163.03944	44.7
163.14864	6.0
165.09131	6.5
166.08704	36.9
167.03400	5.7
167.07111	17.5
168.07404	12.8
173.13235	6.0
178.04939	4.7
179.14323	100.0
191.14351	16.3
202.13313	4.9
209.15393	26.8
223.08792	5.7
225.10156	4.9
237.10280	8.5
244.09787	8.1
253.09853	9.1
265.09668	19.1
293.09302	14.1
295.11008	6.4
311.10226	8.3
321.08423	6.4
327.09790	20.3
328.13892	5.7
330.26318	6.9
339.09799	42.3
389.57169	5.3
458.67737	4.6
464.18039	7.7
492.18164	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	492.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.4
55.01873	2.4
55.05507	3.7
55.87337	1.1
56.05034	1.5
57.03435	1.2
59.50519	1.1
60.04534	9.0
67.04240	1.4
67.05507	11.2
69.03441	5.5
69.07071	2.0
70.06602	2.1
70.92711	2.9
71.04650	1.3
71.04980	6.1
73.02917	1.7
79.05508	10.7
80.05029	7.4
81.03422	2.5
81.07066	29.5
82.06591	34.6
83.04974	1.9
83.08607	1.8
85.02919	6.8
85.06557	4.3
86.06100	1.5
87.00837	2.1
91.05483	11.7
93.07055	11.0
94.06578	39.6
95.04983	7.7
95.08617	9.7
96.08138	2.3
97.02908	2.6
97.06532	11.5
99.08121	2.3
101.02368	1.7
105.01868	1.9
105.07028	5.6
106.06561	1.4
107.04982	3.7
107.08602	6.9
108.08131	24.0
109.02898	3.1
109.06528	5.2
109.10184	6.5
109.31085	1.2
112.07576	1.2
117.07043	2.2
119.04962	3.0
119.08573	5.6
121.02821	1.2
121.06493	1.3
121.10128	10.9
123.11709	1.6
124.07611	15.0
125.06027	1.4
126.09141	3.7
127.03948	5.4
131.08612	2.5
133.10135	6.1
135.08073	1.5
135.11699	4.3
136.07600	15.5
137.05984	7.0
138.09163	1.4
142.08644	42.4
144.10220	1.5
145.04990	1.4
147.11716	2.2
149.09682	2.3
149.13271	3.5
151.11250	2.2
154.08644	100.0
155.07069	1.6
156.10194	2.5
161.13272	2.1
163.03961	2.2
163.14822	2.6
167.07086	1.3
172.09709	12.8
173.13312	3.7
173.68115	1.3
175.14847	1.4
191.14262	6.6
203.17935	4.1
209.15343	5.4
221.19037	2.6
227.16420	8.5
239.20125	1.7
266.21164	2.6
284.22278	3.5
317.06607	1.3
330.26376	1.9
390.26480	3.8
392.28033	1.5
402.26282	5.4
408.27548	9.1
420.27493	19.7
438.28510	63.9
439.28641	1.8
456.29578	13.0
474.30792	6.1
492.31985	5.5
516.16199	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01871	5.9
55.05510	10.2
57.03423	2.7
57.07066	3.2
60.04536	2.4
65.03944	2.4
65.06039	1.9
67.05509	10.6
69.03435	18.7
69.07069	4.8
70.06615	4.2
71.04999	10.1
71.58283	2.1
72.08155	3.9
73.02915	3.9
74.64989	2.1
79.05487	12.5
81.03420	15.9
81.07063	14.9
82.06602	1.8
83.04999	11.2
83.08620	4.4
85.02915	36.6
85.06068	3.1
85.06551	41.6
85.07069	2.5
87.00846	18.6
91.05507	9.1
93.07085	10.3
95.04976	11.4
95.08602	6.9
97.02899	15.5
97.06533	7.4
99.04472	10.2
99.08079	2.3
105.01892	14.5
105.07049	13.5
107.04956	4.6
107.08613	19.0
109.02900	14.4
109.06527	13.9
109.10172	13.5
111.04440	3.1
111.08075	2.9
114.05387	1.6
115.07589	1.8
117.07000	3.7
119.08611	11.7
121.06524	6.8
121.10172	20.9
123.08051	3.8
123.11674	2.8
124.03954	2.0
125.06049	2.0
125.09609	2.5
127.03938	22.2
129.06996	2.1
131.08577	32.4
133.10146	18.0
135.08095	3.8
135.11681	4.8
136.07532	2.9
137.09642	2.3
139.11215	2.2
142.08623	4.2
143.11841	3.1
145.02818	3.9
145.05020	9.5
145.10158	14.0
147.08061	2.5
147.11624	4.6
149.02348	2.8
149.05894	2.5
149.09624	28.1
149.13271	7.3
151.11186	7.0
153.05475	3.2
153.09109	6.0
154.08607	4.3
159.02875	5.2
162.82007	2.3
163.03960	5.0
163.07664	2.5
163.11218	11.6
165.09120	2.1
167.10699	13.5
167.14316	9.9
173.09624	4.0
173.13306	9.6
175.14835	6.2
177.05423	4.8
181.04985	8.6
182.05309	6.3
191.10698	34.0
191.14308	17.0
208.43636	1.7
209.11790	49.2
209.15359	48.2
212.16379	2.2
227.12801	100.0
227.16347	3.8
228.13278	2.6
231.05040	4.6
236.44785	1.8
257.03186	1.8
438.27939	2.8
456.29504	6.6
474.30389	3.3
492.31714	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	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
54.86508	3.5
55.01859	6.5
55.05518	4.8
57.01532	3.6
57.03436	6.7
67.05497	6.8
69.03429	19.0
69.07057	5.3
69.33358	25.1
70.06591	5.9
71.04988	5.4
79.05487	7.7
81.03424	17.0
81.07059	16.2
83.05041	3.7
83.08633	4.2
85.02900	31.4
85.06556	4.7
87.00814	15.8
91.05487	14.0
93.07046	14.3
95.04992	19.3
95.08614	17.4
97.02906	17.9
97.06534	22.3
99.04455	13.1
105.01888	17.0
105.07025	16.2
106.02939	3.7
107.08595	16.6
108.08086	4.6
109.02908	10.3
109.06535	36.3
109.10162	9.8
110.09692	5.8
111.08053	5.3
115.07542	8.1
117.07016	39.6
119.08590	16.1
120.08124	7.5
121.10186	19.9
122.03268	3.9
123.04457	5.6
123.08066	8.5
123.11685	4.1
124.03934	9.2
127.03921	27.1
128.19086	3.4
131.08578	15.3
133.10126	48.0
135.04390	3.4
135.08095	9.6
135.11708	5.8
137.06046	3.4
138.09155	4.9
139.11169	4.0
143.62619	3.6
145.04970	8.7
147.04419	5.4
147.11694	28.6
149.09657	8.0
151.11203	4.7
153.09106	21.4
154.08612	6.3
159.08089	5.9
161.13177	4.3
163.03854	5.4
163.07587	6.3
163.14818	6.6
165.12761	8.1
166.08649	7.8
173.13258	21.1
175.14850	9.9
177.09132	8.1
191.14310	47.9
195.10213	9.8
205.08646	5.1
209.15372	100.0
223.09634	8.6
227.16429	95.3
241.10628	17.8
286.09262	4.1
293.09430	4.2
339.09604	4.8
350.09467	4.0
367.13620	3.7
381.62024	3.8
492.18402	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	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
53.06726	1.4
55.01872	3.1
55.05507	2.7
57.03442	1.6
57.07092	7.4
57.54489	1.3
61.02939	2.7
67.05515	9.3
69.03432	15.7
69.07063	3.8
69.31084	10.6
69.31512	4.0
71.04997	2.3
71.08647	2.1
73.41816	1.4
75.04486	3.0
79.05502	51.1
81.03432	10.6
81.07071	10.3
83.04979	2.2
85.02914	39.0
87.00830	14.8
91.05488	11.5
93.07053	57.4
95.04984	4.8
95.08598	5.9
97.02908	10.2
97.06516	3.2
99.04473	4.3
105.01881	21.3
105.07028	4.1
107.04970	2.9
107.08605	35.4
109.02900	13.5
111.08154	2.0
117.07023	3.3
119.08591	2.2
121.10163	4.6
123.04475	9.3
127.03929	25.7
129.01929	1.5
131.08562	3.2
133.10126	12.1
135.04381	3.2
135.08089	2.9
135.11708	92.8
139.07535	9.9
145.04927	9.0
147.04425	3.3
149.13284	48.5
153.09114	4.0
159.02895	5.8
159.11739	5.5
160.05202	2.9
163.03943	9.0
177.12776	37.0
189.04045	1.9
191.03404	3.7
195.13803	1.8
209.15384	100.0
210.15785	2.4
213.03909	1.7
221.06001	3.3
227.16548	3.2
231.05087	5.7
237.10233	2.4
249.05920	1.9
249.10034	1.7
250.06305	2.2
251.07040	2.2
251.11720	2.8
265.09845	3.0
265.12567	2.0
267.06552	2.6
268.07312	7.5
277.60458	1.5
279.11295	2.6
285.07510	1.7
295.05927	2.2
313.07190	3.9
319.06107	1.9
327.13483	2.5
339.13513	15.2
342.81952	1.5
347.05511	1.9
367.12936	4.7
383.08194	1.8
432.18518	1.8
450.22345	1.7
460.18091	2.9
492.09897	3.0
492.21225	19.9
493.11258	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45903	1.6
53.03933	5.3
55.01869	7.7
55.05510	12.6
57.03430	5.2
61.02938	3.2
65.03928	2.3
67.05518	10.8
69.03069	2.5
69.03430	30.5
69.07066	17.6
70.56860	5.6
71.05005	10.9
73.02907	5.1
79.05064	2.3
79.05494	28.0
81.03429	19.9
81.07059	36.6
83.04970	6.7
83.08614	6.2
85.02908	57.0
85.06544	5.4
87.00832	17.2
91.05484	12.9
93.07052	28.5
95.04970	9.8
95.08606	28.9
95.64648	1.6
97.02893	17.0
97.06530	8.4
97.10168	4.1
98.20856	1.8
99.04460	39.9
101.06006	8.6
105.01877	26.7
105.07038	22.6
106.41324	1.7
107.04952	2.5
107.08600	100.0
109.02895	15.9
109.06532	15.5
109.10153	15.1
111.08083	1.8
113.05973	3.6
117.01824	3.3
117.06985	2.9
119.08588	16.3
121.06499	11.5
121.10156	40.5
123.04462	3.6
123.08081	7.9
123.11743	4.1
125.06024	3.0
125.09634	3.9
127.03918	41.2
127.04796	2.9
127.07612	3.0
129.09125	2.7
131.08583	10.2
133.10147	21.5
135.04402	2.6
135.08052	11.0
135.11707	14.0
137.05960	8.1
138.09137	2.1
139.11208	4.6
145.04955	18.0
145.10123	9.2
147.02892	2.9
147.04486	2.2
147.11673	7.7
149.09630	1.9
149.13269	12.6
151.11188	6.3
155.92896	1.9
159.02945	9.9
161.13258	28.5
163.03915	5.3
163.11156	2.4
163.14833	18.3
165.12698	2.6
166.08632	2.6
173.09674	2.7
173.13301	15.7
175.07472	1.7
175.14848	2.7
179.14320	80.6
187.11133	3.9
189.03969	2.8
191.10651	4.2
191.14319	48.0
197.15399	20.3
201.05478	4.6
205.12212	3.2
209.15381	51.2
213.03886	2.4
215.10741	3.3
227.16429	11.5
231.05058	11.2
249.06047	3.0
251.12680	2.2
285.07547	2.6
339.09784	2.9
355.11313	2.0
376.04688	2.2
395.16776	1.7
474.32465	1.9
492.12695	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	492.1866
Annotation	Demethylisoalangiside
Peak:m/z	Relative Intensity
52.23450	0.7
64.46079	0.7
67.05513	1.5
70.44704	1.4
70.45088	1.6
71.58354	0.8
72.93788	0.7
80.38832	0.7
81.03424	0.8
86.06046	1.2
89.03910	4.1
97.02937	0.9
104.07124	0.8
107.04960	1.4
117.02595	1.5
117.03381	16.6
121.02872	1.1
132.95862	0.8
134.03665	0.9
135.04346	1.4
144.95831	1.0
145.02850	55.2
145.06483	2.8
146.03171	0.9
149.05994	5.5
158.97383	1.0
162.05495	1.5
166.74933	0.6
176.03438	3.7
177.05481	100.0
178.06036	1.0
186.96777	0.7
188.07156	1.1
198.11243	0.8
200.01392	0.7
216.12286	1.1
216.97971	0.7
234.99045	2.7
257.69427	0.8
312.12296	29.1
312.17810	1.1
318.49200	0.9
343.08322	2.3
361.09329	2.3
474.17740	2.2
492.14691	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	492.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.01865	5.6
55.05509	3.2
57.03437	5.6
57.07090	3.3
59.16779	1.9
59.18620	1.6
60.04527	2.6
61.02921	2.1
66.52043	1.7
67.05514	13.7
69.03430	18.8
69.07058	3.8
71.04999	9.9
71.49833	1.8
72.08161	2.0
73.02913	3.5
79.05517	9.0
81.03422	17.5
81.07061	9.0
83.04977	4.8
85.02912	36.3
85.06553	50.9
87.00841	16.8
91.05482	8.5
93.07057	11.4
94.06622	1.9
95.04975	7.1
95.08611	7.7
97.02901	15.7
97.06567	3.9
97.35767	1.8
98.97614	2.6
99.04451	9.4
103.05449	1.8
104.37804	1.8
105.01871	10.2
105.07043	11.7
107.04979	6.1
107.08605	15.6
107.84768	1.6
109.02877	12.6
109.06538	5.6
109.10167	5.0
111.04467	5.5
117.07038	4.1
119.08614	10.3
121.06526	5.3
121.10161	15.6
123.04413	2.4
123.08067	5.1
123.11741	2.0
125.06056	2.1
127.03925	24.5
131.04883	2.5
131.08582	28.6
133.10150	9.1
135.11694	4.0
136.07553	2.9
137.06000	3.5
137.09662	3.9
142.08676	2.6
143.07080	2.1
145.02844	4.0
145.04956	10.5
145.10120	16.1
147.08054	3.0
147.11693	3.3
149.09631	27.1
149.13298	3.0
151.07593	3.3
151.11179	4.3
153.05499	2.4
154.08661	4.0
155.07092	2.2
158.93863	1.7
159.02936	5.7
163.03925	3.6
163.07478	1.7
163.11172	10.8
163.14845	2.3
165.09154	5.2
167.07071	3.9
167.10701	12.9
168.07358	2.1
172.09726	3.3
173.09718	3.1
173.13277	4.8
175.14903	5.1
177.05489	9.1
181.04990	8.6
182.05328	4.3
190.10774	1.7
191.10684	30.3
191.14328	6.6
197.11702	1.7
209.09769	3.1
209.11746	50.4
209.15347	15.1
212.16563	1.9
212.27138	1.6
227.12794	100.0
227.16350	4.0
231.05061	4.2
244.09566	2.1
317.13824	2.0
398.14285	1.7
400.46265	2.2
456.29593	9.4
474.30585	4.8
492.18387	1.7
492.30936	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	492.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06798	0.6
52.45400	0.5
55.01844	0.5
57.03436	4.3
59.04983	1.0
60.04529	1.2
65.03937	1.5
66.24667	0.6
67.05478	0.8
69.03078	0.8
69.03433	14.6
69.07057	0.6
69.97260	3.1
73.71499	0.5
79.05502	1.2
81.03409	0.8
81.07022	1.0
85.02908	10.4
85.06532	1.5
87.03986	0.8
87.04472	9.3
88.27837	0.7
91.05482	2.6
93.07050	2.9
95.08598	0.8
97.02905	9.7
105.07037	2.3
107.08582	3.1
115.03929	13.4
116.10751	0.8
117.07056	1.3
119.08595	2.3
121.02851	1.6
121.10141	1.3
127.03911	1.9
131.08589	3.5
133.02864	2.2
133.04971	12.9
133.10114	2.5
135.04428	1.9
135.08069	1.2
144.06587	1.0
145.04988	0.8
145.10094	1.5
147.11757	0.8
149.02347	100.0
149.09631	1.5
150.02637	0.7
150.07599	2.1
158.84212	0.7
161.13274	1.5
162.07587	0.8
163.03911	68.4
167.10654	0.7
173.13300	4.5
175.14851	1.6
180.08681	1.0
180.57948	0.7
181.04964	45.1
191.10655	0.9
191.14268	5.2
209.11734	1.3
209.15428	1.2
212.16402	0.7
225.71832	0.6
227.12897	3.0
230.17523	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	491.3735
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
50.16718	1.2
53.03941	2.5
55.01863	1.9
55.05516	18.0
57.03424	3.2
57.07071	3.5
59.05005	2.6
65.03934	3.8
67.05509	100.0
69.07076	18.2
69.56565	5.4
69.56988	3.8
71.04990	2.6
71.08630	1.8
79.05498	20.2
80.51874	1.4
81.07062	59.3
83.08615	12.2
85.06529	3.2
91.05480	18.9
93.07050	26.1
95.08613	44.2
97.06547	3.7
97.10189	4.7
98.21174	5.0
99.08082	1.9
105.07035	13.3
107.08607	13.2
109.10165	60.8
110.10529	1.6
111.08095	2.7
111.08847	1.2
117.07008	3.2
119.08603	16.3
121.10162	12.6
123.11683	6.5
125.09650	2.8
129.07133	1.4
131.08607	7.5
133.10124	9.6
135.11700	8.8
137.09607	3.9
137.13263	4.1
139.11252	2.0
145.10106	6.5
147.11690	4.2
149.13298	4.0
151.07622	2.4
155.10670	2.4
157.10181	2.2
159.11705	3.0
161.13290	4.6
163.14815	2.3
165.09167	1.4
173.11765	15.9
173.13187	3.1
175.14825	2.4
177.16470	1.3
185.13290	2.1
189.16360	1.5
201.16345	1.9
204.34474	1.4
213.14732	1.8
229.14392	3.1
245.22725	2.0
263.23804	5.6
301.25577	1.5
399.32663	8.5
417.33835	2.5
473.35980	10.0
491.37320	81.2
492.38049	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	491.337
Annotation	Phlomisone
Peak:m/z	Relative Intensity
53.03944	5.8
55.01875	3.5
55.05505	11.1
57.03432	5.9
57.69882	3.0
62.96449	3.3
67.05507	22.9
69.03432	8.8
69.07073	9.7
69.96918	18.6
79.05500	15.8
81.03436	3.6
81.07060	36.6
81.68015	3.1
83.04984	11.1
83.08614	5.4
85.02900	8.3
91.05496	22.0
93.07056	29.9
95.04976	10.9
95.08610	30.8
97.06536	9.6
98.21531	3.3
99.08102	14.5
105.07036	38.3
107.04993	8.4
107.08603	36.5
109.06516	8.7
109.10151	19.5
111.04438	3.7
115.05449	3.9
117.03434	3.6
117.07049	7.3
119.08577	50.2
120.08086	3.2
121.02885	5.6
121.06508	23.1
121.10165	25.8
123.04432	45.4
123.08083	12.7
123.11703	5.2
125.09642	5.6
128.06224	5.5
129.07043	5.7
131.04927	6.0
131.08577	26.7
133.06535	4.4
133.10127	33.1
135.04416	14.5
135.08047	15.8
135.11716	7.8
137.02374	4.3
137.05875	3.0
137.09560	8.1
139.03914	5.4
143.08572	12.9
145.02869	3.3
145.10150	38.3
147.04366	7.9
147.08058	9.9
147.11674	20.1
149.05986	11.3
149.09650	9.0
150.66345	3.3
154.08676	5.0
155.08670	4.6
157.10104	20.4
158.10886	4.4
159.08067	6.9
159.11703	26.0
161.09651	10.4
161.13286	16.0
163.03940	13.7
163.11266	4.0
163.14853	6.7
165.09106	8.8
169.10243	4.9
171.11720	17.2
172.12357	3.7
173.09689	6.4
173.13254	28.8
175.11264	15.8
175.14854	9.0
177.12813	9.2
181.04869	6.1
183.11790	7.3
185.09668	5.3
185.13246	13.0
187.11215	7.4
187.14838	17.8
189.12747	11.4
189.16411	6.5
191.14363	14.3
195.11746	4.6
197.13292	7.5
199.11256	16.0
199.14851	5.5
201.12766	38.0
201.16403	8.7
203.14371	18.0
205.15834	4.4
207.13861	4.7
209.04483	6.6
213.16400	7.6
215.14355	12.0
217.15926	4.3
219.13850	14.5
221.06055	3.9
223.14885	4.6
225.16426	5.5
233.15231	7.8
235.16911	4.2
244.09744	10.5
251.17998	4.5
269.04443	12.4
281.19061	4.3
283.06000	6.1
293.04538	9.1
295.05960	4.6
311.04916	4.0
311.20209	4.6
313.07220	4.3
317.21265	6.1
369.06018	21.2
375.25500	9.6
399.25259	11.9
401.27835	4.2
419.29306	12.8
427.31812	3.9
437.30597	24.3
447.16187	4.5
455.31622	27.9
473.32651	100.0
474.32816	5.3
491.09491	38.0
491.20248	4.6
491.26727	5.2
491.33786	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	491.3372
Annotation	Phlomisone
Peak:m/z	Relative Intensity
51.02372	2.2
53.03946	2.3
55.05517	6.2
57.03462	1.6
57.07063	1.9
63.98832	1.2
65.03969	1.6
67.05508	8.2
69.03427	1.5
69.07070	4.8
71.05003	1.7
71.54441	2.6
75.21310	1.2
79.05496	8.3
81.07059	15.8
83.04990	1.9
83.08618	2.2
89.03932	2.6
91.05498	12.0
93.07050	19.3
95.04971	5.0
95.08617	21.4
97.06548	5.2
97.10214	1.5
99.08122	1.8
105.03387	1.6
105.06371	2.4
105.07040	27.1
107.04939	3.5
107.07941	2.3
107.08607	22.2
109.06518	5.1
109.10155	12.6
111.08103	2.1
115.05411	2.3
117.07073	6.4
119.08591	31.0
119.84163	1.2
121.02934	1.7
121.06508	14.7
121.10156	14.8
123.04445	47.6
123.08070	4.9
123.11687	3.2
125.09657	2.6
129.07030	2.5
130.07797	1.5
131.08580	13.2
133.06552	1.9
133.10136	21.3
134.03629	1.6
135.04442	9.5
135.08070	18.6
135.11707	4.5
137.02362	4.2
137.09619	3.3
137.13280	1.5
142.07814	4.1
143.08560	6.3
144.09335	2.1
145.06474	1.9
145.10144	22.2
147.08116	7.0
147.11696	15.7
149.05991	13.0
149.09634	6.2
149.13304	4.4
155.08546	2.0
156.09419	3.0
157.10149	14.6
159.08038	7.2
159.11693	14.6
160.12068	2.1
161.09650	10.5
161.13290	9.3
163.11200	3.6
165.06998	1.5
167.10710	1.2
169.10155	4.4
170.10938	2.2
171.08124	2.8
171.11722	12.1
172.08925	3.1
173.09685	4.5
173.13280	16.8
175.11223	12.4
175.14847	6.2
177.12755	2.0
182.10977	1.5
183.11676	6.7
185.13313	5.2
186.10411	5.8
187.11221	6.5
187.14818	6.7
189.12750	8.4
189.16451	4.5
191.14345	4.5
191.17876	1.2
193.12160	1.3
197.09769	1.4
197.13293	4.6
199.11208	19.3
199.14859	2.8
201.12770	34.3
201.16438	4.4
202.13258	1.5
203.14337	19.1
203.17953	5.9
205.15884	1.7
211.14856	2.5
213.12804	2.6
213.16382	7.7
215.14287	10.1
215.17986	2.1
217.15915	4.4
219.13843	10.7
219.17496	1.3
221.05997	1.6
221.15340	2.4
223.14882	1.9
229.15958	3.3
231.17496	5.8
233.15378	3.1
243.14238	1.7
247.17064	3.9
249.18700	2.4
255.17525	2.1
267.06525	2.4
297.07739	2.7
324.06238	1.5
369.06143	26.9
375.25394	7.3
389.28644	1.5
399.25272	11.8
401.28677	2.1
419.29361	6.9
437.30612	13.5
455.31607	10.9
473.32672	100.0
474.32993	3.6
491.09799	52.5
491.33456	2.6
492.10245	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	491.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.2
55.01657	2.8
55.01876	30.5
55.05518	46.8
57.03434	15.5
59.05006	4.9
62.01098	2.3
65.03926	3.3
67.05502	43.0
69.06751	2.2
69.07066	14.1
71.04987	10.2
71.37669	4.9
76.47636	2.2
79.05496	66.4
81.03423	34.4
81.07062	57.3
83.01344	19.1
83.04982	30.4
83.08617	24.4
85.02906	9.7
85.06521	3.6
91.05487	51.0
93.07052	78.1
95.04977	25.5
95.08614	30.0
97.02901	7.5
97.06543	13.2
97.10162	5.2
99.04471	4.1
103.05451	3.4
105.07031	33.0
107.04942	29.9
107.08608	36.7
109.06528	18.2
109.10152	11.6
111.04432	10.3
111.08067	4.6
117.07022	24.2
119.08592	28.7
121.06523	9.3
121.10128	23.0
123.04429	9.6
123.08078	21.8
125.05946	7.1
125.09633	7.9
129.06996	5.0
130.07794	6.4
131.08565	11.0
133.10147	7.3
135.08093	5.0
135.11700	38.1
137.05905	3.0
137.09589	5.5
139.07526	4.3
141.26201	2.7
143.08473	4.2
145.06377	3.3
145.10138	49.6
147.04378	3.9
147.08025	6.9
149.09621	4.7
153.12746	12.3
155.08525	5.0
163.03928	4.6
163.11192	84.3
165.09091	4.9
173.09665	12.2
177.27438	2.5
181.12209	16.7
189.05490	2.9
191.10661	11.6
209.11757	28.8
215.07065	6.2
217.05000	3.2
227.12877	15.6
369.06232	3.5
462.49609	3.3
491.10239	5.6
491.19266	5.5
491.26361	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	491.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01877	1.5
55.05502	3.3
65.03935	2.6
67.05504	5.1
69.03425	6.5
69.07043	2.7
71.13313	3.3
79.05487	5.1
81.03416	7.1
81.07062	9.6
83.05007	2.2
83.08614	1.6
85.02885	5.1
89.03917	1.9
91.05498	5.1
93.07043	4.3
95.04972	7.9
95.08627	5.7
97.02898	5.1
97.90332	1.6
99.08122	1.4
99.81020	1.5
105.03398	2.2
105.07041	8.1
107.04977	5.3
107.08602	16.5
109.02888	2.9
109.06528	2.8
109.10162	7.9
111.04469	3.0
115.05467	2.3
117.03395	3.2
117.07030	1.6
119.08591	5.1
121.02879	100.0
121.06519	3.0
121.10135	10.2
122.07265	4.2
123.04441	50.0
127.03930	2.9
128.44489	1.4
131.04970	3.5
131.08586	3.4
133.10144	79.7
134.03683	2.8
135.04425	8.9
135.08015	7.8
135.11702	1.8
137.02336	2.8
137.09625	42.1
139.03917	19.7
145.10149	2.4
147.04485	2.7
147.11714	3.5
149.13251	8.7
152.07117	3.0
153.07365	1.5
163.03952	4.7
163.14909	2.9
165.09164	1.9
173.13269	3.4
177.05453	2.2
178.05846	2.2
191.14333	33.5
205.06390	1.8
209.15466	3.7
221.06023	2.0
223.07666	2.1
226.03020	1.7
265.07089	10.6
267.06406	1.7
271.05896	1.5
283.08170	12.5
295.06036	4.3
297.07355	2.1
369.06055	27.1
427.08325	2.7
455.31375	1.9
473.32697	2.0
491.09775	62.2
491.32190	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	490.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82681	5.6
51.52719	5.5
54.09609	6.2
55.05504	10.8
55.57608	6.2
67.05505	20.8
69.07060	9.8
71.16800	6.2
74.05567	7.6
79.05493	14.6
81.07082	31.4
83.08622	9.5
91.05464	13.5
93.07037	25.0
95.08611	37.7
98.20724	19.1
105.07021	25.8
107.08604	37.8
109.10170	28.0
109.53862	5.9
119.08578	42.8
121.10148	36.3
123.11726	9.0
133.10124	22.2
135.11684	20.8
145.10129	21.2
147.11670	23.1
149.13268	14.1
159.11710	19.3
161.13261	17.1
163.11192	8.1
163.14822	9.4
168.53049	7.3
169.66779	6.0
173.13216	9.0
175.14815	18.5
177.16415	22.5
187.14850	17.9
189.16402	50.4
191.17911	9.4
201.16412	7.8
203.18007	67.2
205.15863	43.7
207.17433	27.7
229.73007	7.1
249.18506	15.6
301.83041	6.5
348.46088	6.1
358.03574	6.8
391.33572	6.7
409.34695	100.0
437.34055	25.6
450.86957	8.1
455.35083	11.9
490.35709	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	491.0979
Annotation	Bacillisporin C
Peak:m/z	Relative Intensity
51.02382	1.4
53.03947	1.2
53.64431	0.4
55.01870	0.5
55.05522	0.6
65.03947	0.4
67.05518	2.5
69.07071	0.6
70.99410	0.9
71.48633	0.4
77.03943	2.1
77.12047	0.4
78.04723	1.3
79.05497	1.7
81.03418	1.0
81.07068	0.9
83.05017	0.5
83.08637	0.4
89.03931	2.7
91.05493	0.9
93.03371	0.3
93.07041	1.2
95.04993	2.9
95.08615	1.5
102.04707	0.6
103.05496	0.6
105.03422	4.0
105.04529	0.6
105.07038	1.2
106.04194	1.3
107.04960	1.3
107.08589	1.4
109.02882	0.9
109.10184	0.5
115.05457	1.1
117.03414	2.1
119.08588	1.3
120.08967	0.4
121.02878	1.4
121.10165	1.0
123.04447	95.0
124.04755	0.4
127.03964	0.5
129.03290	0.4
129.07024	0.5
130.04120	0.4
131.04950	0.7
131.08563	0.4
133.02859	1.0
133.10100	1.8
133.60921	0.4
134.03651	4.0
134.10469	0.4
135.04434	15.7
137.02377	4.7
137.03394	0.6
137.09650	0.9
145.10107	0.5
147.04427	1.7
147.05522	0.4
147.11726	0.6
152.06282	0.5
153.06995	0.4
157.10107	0.6
158.03671	0.8
159.04523	0.7
161.05972	0.6
161.93469	0.4
163.03928	1.3
165.07039	1.7
165.09109	0.6
166.07860	0.4
167.08585	0.8
175.03943	0.7
177.07036	1.5
178.07822	1.3
179.08601	0.8
181.06502	0.5
187.14809	0.5
189.06996	0.9
191.14444	0.6
192.43102	0.4
193.06549	1.1
194.07214	0.9
195.08052	0.5
197.06012	1.0
199.14847	0.5
205.06613	2.3
207.08195	0.6
209.06123	0.5
210.06749	0.8
211.07536	0.8
212.08337	0.7
215.03455	0.5
221.06015	2.4
222.06859	0.8
223.07600	1.7
225.05542	0.5
233.05937	0.6
234.06805	0.5
235.07507	0.6
237.05470	0.7
238.06355	2.1
238.08412	0.4
239.07111	1.3
240.07869	0.5
240.32077	0.4
242.03300	0.4
249.05583	1.0
250.06377	0.5
251.06972	1.0
253.05005	1.8
267.06586	3.1
277.05045	0.7
278.06000	0.4
279.06558	1.6
280.07440	0.5
283.06015	0.4
295.06137	1.9
296.06665	0.4
297.07504	5.2
307.06232	1.2
313.07199	1.1
319.05975	0.7
323.05331	0.4
324.06442	1.3
325.07285	1.5
341.06616	1.1
353.08392	1.8
355.09979	0.6
369.06091	51.5
370.06628	1.1
381.07733	1.0
382.07285	0.5
399.08438	0.9
417.09750	0.5
427.08093	3.2
445.09122	1.7
449.70288	0.4
459.17392	0.4
473.08630	0.6
490.32230	1.2
491.09808	100.0
492.10065	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	490.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.0
66.91970	5.9
67.05497	21.7
68.05841	6.2
69.07063	14.8
71.59936	5.9
79.05487	18.1
81.07071	28.7
91.05492	7.7
92.05809	4.8
93.07069	29.0
95.04994	6.3
95.08611	52.4
98.98488	20.8
105.07029	19.3
107.08587	43.3
108.08936	5.7
109.10152	24.8
117.07013	4.8
119.08595	43.8
121.06479	4.9
121.10126	27.7
123.11688	8.7
131.08600	8.1
133.10146	38.3
135.11716	14.6
142.15027	5.4
145.10130	24.7
147.11728	26.8
149.13319	13.5
153.09105	6.5
155.01068	13.4
159.11723	37.7
161.13300	17.4
163.11148	6.1
163.14832	17.4
175.14882	17.9
177.16380	17.0
187.14833	46.7
189.16441	55.2
200.69115	4.8
201.16451	13.1
203.17972	100.0
205.15875	54.0
205.19530	5.8
207.17470	11.6
213.16432	9.5
241.19664	4.9
249.18550	17.0
262.22369	5.9
270.36234	4.5
301.36877	6.4
318.25092	5.4
336.26199	15.6
391.33475	14.7
409.34625	62.4
427.35962	7.5
437.34262	73.4
455.35397	36.8
473.36377	6.0
490.36142	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	490.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01872	3.7
55.05493	3.2
57.03453	3.0
57.07081	78.8
61.02940	2.1
67.05499	12.5
69.03444	20.0
69.07075	5.6
70.06607	3.7
70.88654	1.8
71.04993	6.8
71.59131	2.4
75.34767	1.7
79.05497	14.0
81.03427	25.5
81.07053	6.0
83.04991	3.1
85.02908	19.7
85.06549	63.3
85.07072	3.1
87.90013	1.7
91.05493	11.8
93.07055	10.7
95.04980	4.4
95.08638	8.4
96.08959	1.7
97.02902	17.1
97.06562	3.8
99.04453	6.0
99.08115	3.9
103.07587	9.0
105.07043	12.9
107.04963	5.6
107.08600	16.4
108.08930	2.5
109.02912	14.6
109.06505	3.0
109.10173	6.1
111.04472	5.9
117.07035	4.7
119.04985	2.3
119.08592	15.0
120.08963	2.7
121.06522	7.9
121.10165	15.8
123.04440	29.0
123.08057	1.9
125.05965	3.3
127.03931	17.3
129.07001	3.3
131.08578	37.9
133.10146	8.9
134.10423	2.1
135.04460	8.7
135.08070	3.5
135.11699	6.6
136.12047	2.3
137.02354	2.6
137.09628	4.5
143.08424	1.7
145.04993	5.5
145.10135	18.5
146.10454	2.9
147.04376	3.1
147.08044	4.3
147.11705	6.4
149.09631	28.8
153.49278	1.7
159.11687	5.2
161.13333	2.2
162.13614	2.2
163.03867	1.9
163.11166	9.6
165.09137	5.6
167.07004	1.8
167.10703	15.8
169.09981	1.8
171.11552	2.7
172.12160	1.7
173.09717	2.4
173.12987	2.2
185.13289	3.0
188.15245	1.9
191.10712	35.0
201.16539	3.8
202.16724	3.2
205.15967	2.7
206.16240	4.2
206.32045	1.9
209.11742	50.8
227.12801	100.0
228.83401	1.9
229.10727	17.0
242.08141	3.8
247.11768	28.7
263.22647	1.8
285.99020	1.8
327.17691	1.9
335.95795	2.1
369.05997	11.9
386.07559	1.8
399.15628	2.4
408.33386	5.2
426.34341	2.7
436.33231	3.3
454.33963	4.7
458.17038	8.0
490.19772	8.5
491.09857	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.01880	1.2
55.05504	2.0
57.03432	2.5
65.03945	1.9
67.05517	3.4
69.03432	11.6
70.06589	4.4
71.05014	1.8
71.48723	2.1
79.05497	10.3
81.03439	3.5
81.07072	2.4
84.08173	1.5
85.02913	23.9
86.09729	1.7
86.23165	1.4
86.65277	1.3
87.00827	4.1
91.05485	22.1
93.07038	17.8
95.04967	5.1
95.08596	6.7
97.02906	7.5
103.05481	4.2
105.01868	12.0
105.07047	13.2
105.30793	1.3
107.04960	2.2
107.08602	100.0
109.02882	5.2
109.06483	3.8
111.08104	1.5
116.06264	1.9
117.06989	1.8
119.04892	1.3
119.08574	7.3
120.80163	1.2
121.06518	6.1
121.10159	11.9
123.08092	1.9
123.11697	1.9
127.03942	11.5
127.07565	4.2
129.06987	1.3
131.04959	13.2
131.08575	98.9
135.11726	2.0
137.05971	3.7
137.09605	7.2
140.22615	1.3
145.04932	4.7
145.10117	3.6
147.08093	2.3
147.11670	18.3
149.02316	3.7
149.06091	1.4
149.09637	22.1
151.07535	2.6
154.44743	1.2
156.09323	2.5
159.03033	1.5
161.05978	1.7
161.13278	1.9
163.03925	3.5
165.12816	1.7
171.11731	3.8
173.93042	1.5
177.05515	1.9
178.05103	2.4
181.04929	2.0
189.12762	66.5
190.13129	1.7
207.13800	30.2
213.04033	1.9
231.04985	5.1
249.06032	1.6
312.25812	1.3
351.18076	2.1
386.15582	1.2
386.20963	1.6
393.19382	3.0
432.74542	1.5
455.19330	1.5
459.81839	1.4
509.79883	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	490.211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.3
55.52183	2.0
57.76242	1.8
58.95967	1.8
64.93554	1.9
69.03419	3.5
69.07075	3.7
70.02950	2.5
70.06590	4.5
71.57938	3.0
71.67640	2.0
72.08140	3.4
78.81170	2.1
83.04987	8.5
84.08146	2.4
86.09710	4.6
88.04003	23.8
89.90768	1.9
91.05511	3.5
93.07035	2.6
95.08627	2.5
100.48843	2.2
105.07029	23.9
107.08593	9.3
111.02659	4.5
117.07032	3.0
119.08586	10.3
120.08140	2.8
121.10181	4.2
125.04252	6.3
131.04953	2.3
133.06476	4.8
133.10149	5.2
137.04195	24.3
139.05757	17.8
145.10175	5.2
147.04483	2.4
147.11696	15.3
148.76601	2.0
149.13225	2.2
153.44577	2.1
159.11719	11.6
160.69167	2.0
161.09604	4.2
161.13245	10.8
166.06909	3.2
167.05386	2.0
171.11662	3.1
173.09726	3.0
177.05550	3.9
179.08899	5.1
181.10512	9.0
187.11201	6.6
189.12755	24.8
191.14345	7.3
193.10515	2.8
205.14667	4.7
208.07971	3.0
209.06273	2.8
212.07413	9.7
215.35312	2.3
221.09999	15.0
223.11546	25.7
226.08974	6.0
228.10553	2.5
252.10576	6.3
290.14008	2.3
293.12228	4.6
302.22006	2.3
302.36057	2.2
310.14725	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	489.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.4
55.01862	4.6
55.05498	15.7
65.03926	4.4
67.05487	15.1
69.03429	9.4
69.07063	15.5
69.69404	9.6
69.69817	15.3
71.04990	5.3
79.05490	36.6
80.90331	3.9
81.03419	9.9
81.07059	43.6
83.04965	9.6
83.08606	11.8
85.02902	9.2
85.06554	4.8
89.03925	4.6
91.05485	30.2
93.07050	43.4
94.06624	3.8
95.04961	14.1
95.08607	48.5
95.91585	3.8
97.02862	7.3
97.06541	7.0
97.10167	4.0
99.08076	6.4
105.07040	55.9
106.07269	4.0
107.04954	5.1
107.08595	65.0
108.08150	5.3
109.06505	6.5
109.10165	40.2
111.04449	4.5
111.08089	4.6
113.81302	4.0
117.03362	6.0
117.07008	11.5
119.04964	5.3
119.08595	88.2
120.08078	4.1
121.06525	10.6
121.10152	45.6
122.06015	11.3
123.04435	85.5
123.08002	6.4
123.11742	8.9
127.03912	7.9
129.06970	4.0
131.08588	36.3
133.10144	49.0
135.04396	18.5
135.08061	12.0
135.11731	30.1
136.07594	25.7
137.02310	10.9
137.05994	9.8
137.09637	8.5
139.03877	4.9
143.08554	8.0
145.10127	73.5
146.06056	5.2
147.04346	4.3
147.08041	6.9
147.11737	35.7
148.07602	9.5
149.09621	8.9
149.13243	13.8
151.07552	6.9
151.11163	6.6
157.10103	14.2
159.11708	61.9
161.13298	23.1
163.03909	9.5
163.11221	12.1
163.14813	16.7
165.06993	5.4
165.09149	6.2
167.07103	8.6
171.11771	9.1
173.09673	9.1
173.13281	25.9
175.14877	27.4
177.12770	7.3
177.16393	28.8
181.04950	11.1
185.09560	4.7
185.13269	11.4
187.11179	13.9
187.14848	51.2
189.12758	17.6
189.16412	36.3
191.05069	4.3
191.14397	10.0
191.17935	9.0
199.11142	7.5
199.14746	7.3
201.12692	9.5
201.16420	44.4
203.14337	8.4
203.17940	9.3
205.12248	6.6
205.15884	87.7
205.17807	5.5
207.17445	8.5
209.10754	5.4
213.12813	4.6
213.16374	15.2
215.10750	5.7
215.14499	4.6
215.18019	6.4
217.15871	4.4
219.13913	6.2
219.17436	23.7
221.05858	4.4
222.07857	5.5
223.16969	6.0
224.79114	4.2
227.18039	5.4
233.11790	6.8
237.05385	6.2
237.10175	12.1
238.07126	4.9
238.10622	5.7
241.09779	7.7
247.16971	5.8
249.05525	5.9
252.12411	4.5
265.05109	5.9
265.09653	13.8
265.18076	10.5
266.10208	7.8
275.08136	4.2
279.07455	5.1
281.04416	7.3
281.09671	4.7
293.09351	20.1
305.04675	5.1
309.03995	29.3
310.04581	9.6
321.08588	5.4
325.11902	10.3
353.11218	10.9
355.04721	9.6
361.06992	8.1
362.07941	6.3
367.04590	29.9
395.32950	8.2
407.33191	45.2
413.13553	7.6
425.34232	33.4
453.34375	24.8
457.12296	4.9
461.18869	6.8
471.30130	9.3
489.08289	100.0
489.16254	12.3
489.18033	12.2
489.32217	18.3
490.08319	7.1
500.91409	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	489.3577
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05508	9.4
56.23637	5.9
67.05495	20.0
69.07068	11.5
70.77050	13.3
70.96900	5.6
73.18312	5.4
79.05496	22.4
81.03426	8.0
81.07068	37.3
83.08601	10.6
91.05460	16.4
93.07047	33.0
95.08611	43.1
102.37248	5.4
105.07045	43.3
107.02911	5.3
107.08592	51.2
109.06543	6.3
109.10162	31.7
112.23109	6.1
117.07082	10.2
119.08584	63.4
121.10136	40.5
123.11661	5.9
129.06985	8.1
131.08582	28.7
133.10133	45.5
135.07979	9.4
135.11707	20.2
143.08530	7.3
144.09337	7.3
145.10147	63.1
147.11656	32.5
149.13274	13.0
159.11691	54.5
161.13275	17.1
163.11128	10.2
163.14838	16.0
171.11720	14.7
173.13284	34.4
175.14818	28.7
177.16379	25.8
187.14812	63.0
189.16408	33.0
191.14316	7.5
191.17924	9.1
199.14833	8.8
201.16354	46.4
203.14182	6.2
203.17938	12.5
205.15880	100.0
207.17415	9.4
213.16351	10.5
215.17905	11.7
219.17380	19.3
223.16853	6.5
232.11830	5.9
247.16823	8.9
256.77914	5.9
265.18082	11.9
278.66449	5.8
395.33148	12.4
407.33072	51.5
419.38574	6.1
425.34128	37.3
435.32803	10.1
453.33539	23.5
471.34619	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	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.02378	1.2
53.03941	3.3
55.01869	3.1
55.05516	15.9
57.03424	4.5
57.07071	1.9
59.04993	1.2
64.72295	1.3
65.03927	2.8
67.05508	68.3
69.07070	18.7
71.04980	3.5
71.33347	2.2
79.05495	34.8
81.07059	44.4
83.04979	2.0
83.08619	11.7
85.06530	2.1
91.05484	24.9
93.06461	2.5
93.07050	41.4
95.04973	3.2
95.08044	2.1
95.08614	29.7
97.06530	4.6
97.10168	5.3
99.08140	1.2
105.07036	26.2
107.08592	22.7
109.06528	1.5
109.10159	40.1
111.08088	2.0
117.07020	9.2
119.08582	32.5
121.10144	20.1
123.08047	1.6
123.11714	3.1
125.09643	2.6
128.06207	1.5
129.07036	4.7
131.08577	18.6
133.10127	19.7
135.08070	1.6
135.11700	10.3
137.09608	2.5
139.11160	2.7
141.06963	1.6
143.08548	8.2
145.10121	18.8
147.11694	14.1
149.09648	1.5
149.13290	4.6
155.08589	2.5
155.10637	2.4
157.10182	6.9
159.11711	13.1
161.13272	8.5
163.14835	1.6
169.10161	3.0
171.11655	5.9
173.11757	7.8
173.13295	9.8
175.14864	3.9
180.92702	1.1
183.11713	3.8
185.13243	6.7
187.14835	6.0
189.16420	1.4
191.84789	1.1
193.56682	1.4
197.13324	3.1
199.14871	2.9
199.76636	1.2
201.16409	2.9
211.14900	2.9
213.14784	2.4
225.16606	1.5
227.18033	1.7
239.18022	1.7
241.19521	1.7
243.21266	1.4
259.20569	2.0
261.22186	4.2
263.20248	1.4
271.20657	2.3
273.22247	1.3
275.20349	1.4
285.22217	3.8
289.21756	2.1
299.23776	2.3
301.21701	1.2
369.31406	1.3
377.26849	2.4
379.29898	9.9
391.28561	3.1
397.30966	15.4
415.32202	4.1
415.67267	1.4
419.39362	1.2
435.32614	1.9
471.34814	13.6
489.35788	100.0
490.27887	1.5
490.36142	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	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03944	3.7
55.01872	2.1
55.05514	21.6
55.47231	1.2
57.03430	4.3
57.07081	2.4
59.04995	3.0
61.43009	1.0
65.03946	2.5
67.05511	77.2
69.03417	1.4
69.07070	13.3
71.04987	4.8
75.04479	1.2
79.05500	31.3
81.07064	42.7
83.04977	1.6
83.08617	10.1
85.06550	3.3
91.05493	27.5
93.07050	35.5
95.04968	4.7
95.08042	2.1
95.08614	29.6
97.06543	3.1
97.10184	4.2
98.21495	3.0
99.08129	1.5
105.07036	23.7
107.08604	20.7
109.06490	2.2
109.10166	49.8
109.10926	2.5
111.08088	3.4
117.07016	9.3
119.08600	27.0
121.10156	18.5
123.08119	2.0
123.11720	1.9
125.09634	2.3
129.06979	6.0
131.08583	17.6
133.10144	20.0
135.08150	1.8
135.11705	11.3
137.09624	3.9
139.11166	1.2
141.06987	1.6
143.08577	5.2
145.10136	18.1
147.11702	13.4
149.09743	1.1
149.13240	6.4
155.08569	2.8
155.10701	3.0
157.10129	7.2
159.08110	1.1
159.11697	13.1
161.13229	6.4
163.14760	2.1
169.10109	3.0
171.11694	5.6
173.11755	10.1
173.13301	11.2
175.14850	3.4
177.12900	1.1
183.11797	3.7
185.13274	4.7
187.14833	6.1
189.16360	1.3
195.11644	1.1
197.13321	3.8
199.14906	2.5
201.16420	3.1
211.14856	3.0
213.16440	3.7
225.16463	1.7
227.18031	2.0
231.17528	1.8
243.21008	1.4
259.20569	2.2
261.22244	4.5
268.27090	1.4
273.21976	1.7
285.22189	3.6
299.23694	2.6
317.24780	2.3
377.27188	2.8
379.29907	8.5
391.28754	2.2
397.31085	16.1
415.32199	3.1
442.32788	1.4
471.34827	15.9
489.35812	100.0
490.35995	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	489.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.05521	25.7
57.07071	14.0
60.00016	5.0
67.05512	30.8
69.03436	7.3
69.07070	25.8
71.10853	8.0
71.16869	4.4
74.29641	4.6
79.05501	28.5
81.07068	50.6
83.04960	7.0
83.08625	26.7
85.02887	6.0
85.06567	11.9
91.05489	41.3
93.07039	69.7
95.08611	56.4
99.08101	7.5
105.07048	62.6
107.08602	82.6
109.02859	5.8
109.10157	66.0
111.08093	7.7
117.07011	12.8
119.08585	100.0
121.10150	71.4
123.04486	9.9
123.08043	5.2
123.11710	19.7
125.09623	5.5
127.03925	8.7
131.08597	35.3
133.10130	85.7
135.08057	11.9
135.11700	51.1
143.08545	12.1
144.09348	7.7
145.10133	54.0
147.04437	8.7
147.08028	5.6
147.11699	57.7
149.09618	14.9
149.13277	21.8
151.11162	14.3
157.10155	20.4
158.10953	6.4
159.11690	67.2
161.13255	24.2
163.11201	12.9
163.14856	28.2
165.09131	6.6
170.10904	7.8
171.11694	29.3
173.09685	6.2
173.13269	34.2
175.14825	19.9
177.12781	19.5
177.16440	19.8
183.11754	17.0
185.13217	33.8
187.14845	53.1
189.12770	8.5
189.16414	27.9
191.10623	5.3
191.14328	12.7
193.10248	8.3
195.11806	6.1
195.13795	24.3
197.13339	6.9
199.14795	20.6
201.12973	6.1
201.16422	54.5
203.14394	8.9
203.17992	15.2
205.15886	46.9
205.19394	5.8
207.17461	10.8
209.11613	8.4
213.16376	20.0
217.15959	6.6
219.17444	15.1
223.14928	6.1
223.16982	11.5
223.20267	6.0
227.12868	8.3
227.18005	12.6
231.17438	8.4
235.16928	6.6
245.19023	8.1
247.17059	7.8
249.18446	6.8
253.19641	12.3
255.21126	17.5
265.19595	7.5
283.20578	16.5
301.21561	13.6
309.03854	9.5
355.26199	6.1
389.32138	11.9
400.63660	5.4
407.33246	64.1
425.34366	28.9
435.32797	31.7
443.35214	12.0
453.33856	56.0
471.34476	23.9
489.08261	8.1
489.17413	5.6
489.30832	11.2
489.36343	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	489.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.8
57.07066	7.9
67.05494	13.7
69.07069	14.1
70.79922	9.0
70.80286	5.0
79.05495	16.6
81.07046	26.2
83.05014	5.1
83.08626	11.8
91.05495	17.6
93.07045	30.1
95.08599	41.9
96.71324	4.9
99.08116	7.7
105.07036	47.4
105.13388	4.4
107.08599	61.5
109.10184	28.5
117.07048	10.0
119.08591	76.2
121.10153	42.3
123.11702	8.3
131.08591	36.1
133.10139	53.2
135.08115	4.8
135.11691	35.0
137.09628	5.5
144.09352	5.7
145.10123	49.9
147.11690	63.3
149.09616	6.2
149.13252	16.4
156.09341	4.5
157.10191	9.9
159.11703	42.9
161.13255	15.7
163.11267	9.1
163.14867	15.6
165.09076	8.5
169.10068	5.1
171.11732	11.1
173.13274	27.1
175.14836	20.0
177.12810	6.9
177.16405	22.7
185.13234	15.3
187.14847	45.7
189.16451	29.1
191.17963	6.8
195.11720	4.7
195.13759	5.9
199.14880	11.6
201.16397	100.0
201.18254	7.1
203.17973	11.0
205.15881	78.0
207.17505	17.3
213.16394	13.9
215.17943	8.1
217.15843	5.6
219.17491	20.5
231.17506	7.3
235.16866	4.6
241.19618	6.2
247.16940	5.1
259.20758	4.7
350.70407	4.5
353.28326	5.6
355.32153	4.0
389.32086	5.6
407.32968	42.3
425.34131	32.1
435.32687	7.7
443.35001	4.9
453.33838	32.9
471.34799	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	489.3576
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.02891	5.3
55.05514	16.3
56.39987	5.0
64.22247	4.7
67.05501	15.0
67.08434	5.1
69.07069	10.1
71.32972	9.9
79.05508	13.7
81.07063	34.4
83.08623	8.7
91.05491	23.1
93.07054	36.4
95.08614	44.8
97.06555	6.1
99.08089	12.2
105.07035	43.7
107.08615	53.0
109.06577	5.7
109.10146	25.5
117.07050	9.0
118.96952	5.4
119.08594	86.8
121.10151	40.0
123.11695	13.7
127.14217	5.3
131.08589	47.5
133.10136	68.4
135.11693	42.5
143.08562	7.5
145.10132	56.6
147.11694	84.8
149.09531	5.4
149.13286	14.8
157.10129	8.9
159.11731	37.1
161.13266	18.2
163.11168	7.7
163.14819	17.5
171.11726	12.2
173.13289	17.3
175.14865	25.5
177.16379	24.0
185.13261	12.6
187.13318	8.8
187.14824	60.7
189.16412	62.3
191.14403	8.4
191.18027	6.7
195.13733	5.7
199.14812	9.0
201.16388	100.0
202.16692	6.1
203.17972	17.5
205.15897	94.2
207.17522	17.7
213.16327	9.9
215.17964	8.2
217.19540	5.5
219.17447	19.5
227.17999	8.4
249.18658	7.3
389.32184	9.3
407.33124	39.2
425.34073	38.6
435.32849	7.3
453.33548	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	489.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48409	4.7
55.05505	6.8
57.07073	11.2
61.83297	5.3
67.05500	14.4
67.44652	4.6
69.03432	4.8
69.07083	12.7
70.82390	9.5
76.81613	4.7
79.05500	20.2
81.07069	35.0
83.08620	6.6
86.08287	5.0
91.05476	27.3
93.07044	44.0
93.58556	5.4
95.08607	49.5
99.08091	14.8
105.07037	54.2
107.08603	53.7
109.06512	13.3
109.10159	22.8
113.02943	5.5
114.01898	4.7
117.07044	11.3
119.08580	100.0
121.06500	11.5
121.10162	34.4
123.08064	10.6
123.11726	5.8
125.09628	5.1
129.07014	8.8
131.08591	51.5
133.10130	47.6
135.08069	8.5
135.11711	20.6
137.09590	9.2
143.08571	13.5
144.09254	5.9
145.10146	52.2
147.08020	9.0
147.11691	60.3
149.05916	6.3
149.09639	14.8
149.13234	8.1
156.09227	7.4
157.10178	20.0
159.07903	6.3
159.11700	50.8
161.09668	13.4
161.13275	17.6
163.11273	6.3
163.14865	10.9
167.10722	5.7
169.10089	8.6
170.10902	7.9
171.11693	22.3
173.09663	9.2
173.13263	37.3
175.11176	8.3
175.14835	25.8
177.16350	18.9
183.11737	11.6
185.13261	17.1
187.11249	10.1
187.14821	44.8
189.12762	13.5
189.16377	30.0
189.17882	7.0
191.14336	9.2
197.13274	8.6
199.11206	10.0
199.14799	5.5
201.12753	16.4
201.16397	78.0
203.14342	15.2
203.18022	8.6
205.15877	49.5
207.17389	12.9
211.14815	7.2
213.12723	10.5
213.16429	6.3
215.14308	10.9
215.18077	6.1
219.13817	11.1
219.17447	13.7
229.15897	7.2
231.13828	13.2
285.18457	8.0
353.28323	5.6
387.01273	5.8
397.23697	7.7
407.32883	18.7
411.27975	5.1
417.27722	11.2
425.34161	14.1
435.29138	38.2
453.28958	34.7
471.30975	79.6
489.32214	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Arjunic acid
Peak:m/z	Relative Intensity
55.05499	23.1
57.07055	11.3
63.84843	7.5
67.05492	28.9
69.03428	9.4
69.07055	25.0
79.05487	23.6
81.07043	35.6
83.08589	14.4
91.05472	30.0
93.07061	44.2
95.08620	57.1
99.08109	11.6
105.07031	51.3
107.08591	91.8
109.06521	9.7
109.10154	31.8
117.06995	19.4
119.08597	89.8
121.06497	8.8
121.10163	66.5
123.11685	14.2
129.07002	10.8
131.08571	53.0
133.10138	66.6
135.08031	12.8
135.11682	30.7
143.08582	14.8
145.10110	51.8
147.11708	68.4
149.09573	11.6
149.13237	23.5
157.10179	29.3
159.11729	56.6
161.13231	23.0
163.11208	19.8
163.14816	23.6
169.10129	11.9
171.11690	30.8
173.13303	42.5
175.14836	34.0
177.16371	21.0
183.11667	9.5
185.13245	14.8
187.14815	63.3
189.12732	11.5
189.16426	34.8
189.37701	8.3
191.14223	10.7
197.13174	9.5
199.14859	17.7
201.16414	100.0
203.14362	12.9
203.17876	18.4
205.15886	76.4
209.13370	10.6
213.16409	19.3
215.17921	8.4
219.17474	9.4
231.13640	8.3
407.32959	47.3
425.34406	19.3
435.33209	14.5
453.34430	38.6
489.18130	14.1
489.31921	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
54.27046	1.1
55.05507	4.5
57.07063	1.3
67.05518	5.2
69.07073	4.2
69.93620	3.8
69.94028	1.9
79.05498	5.1
81.06723	1.0
81.07074	11.9
83.05022	1.1
83.08633	3.7
85.77898	0.9
91.05486	4.7
93.07050	9.1
95.08038	1.7
95.08608	16.7
96.36278	1.0
97.10191	1.9
98.21446	1.2
98.98495	2.6
105.07058	9.5
107.08604	15.9
109.06515	1.0
109.10175	11.6
117.07014	1.3
119.08595	16.4
121.10165	11.5
123.08079	4.2
123.11720	3.8
125.09683	1.1
131.08577	8.4
133.10141	13.0
135.08105	2.6
135.11719	6.5
137.09557	1.4
145.10136	13.2
147.11710	11.7
149.13254	4.9
151.03775	1.1
151.11185	1.9
155.01025	2.2
157.10138	2.6
159.11707	10.4
161.13261	5.9
163.11116	1.5
163.14822	6.2
171.11748	3.4
173.13290	6.2
175.14771	5.2
177.16417	4.3
185.13269	2.7
187.14857	13.5
189.16435	4.1
199.14865	2.2
201.16380	19.6
203.14392	1.5
203.17949	6.3
205.15877	17.5
213.16461	2.4
215.17949	3.9
217.19429	1.2
219.17439	3.1
223.16942	4.6
229.19591	2.0
235.16943	1.2
241.19434	1.4
243.21176	1.8
247.16991	4.5
249.18526	1.5
253.19501	1.2
255.21124	5.0
257.22449	2.4
269.22659	2.4
301.21613	2.6
335.25790	3.0
347.25705	5.4
373.27188	5.5
407.32993	5.0
425.34186	6.9
435.32693	4.0
443.35248	100.0
444.35645	3.9
453.33713	2.4
471.34787	1.6
489.35864	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	489.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.2
64.86964	4.4
64.88991	4.4
67.05492	17.4
69.07071	15.9
70.96903	10.6
70.97280	11.1
74.18642	4.5
79.05493	18.4
81.07061	34.6
83.08605	15.7
91.05472	20.1
93.07050	43.4
95.08617	58.2
97.06543	6.2
97.10183	7.1
99.08076	7.1
104.00761	4.5
105.07042	46.2
107.08607	55.1
109.10153	23.2
117.07048	8.4
119.08586	75.0
121.06559	7.1
121.10155	54.8
123.11723	14.6
131.08562	36.2
133.10138	48.7
135.08041	9.3
135.11664	28.7
137.09605	9.9
143.08582	13.6
144.08090	5.7
145.10138	63.0
147.08003	8.3
147.11725	36.5
149.02357	75.6
149.09619	6.8
149.13248	14.1
150.02669	47.4
157.10143	13.1
159.11720	54.5
161.09624	8.6
161.13286	28.8
163.11234	15.1
163.14896	26.3
171.11681	23.1
173.13243	42.4
175.14778	30.9
177.10255	4.9
177.16359	24.8
183.11807	5.1
185.13254	27.8
187.14830	75.0
189.12766	9.3
189.16371	45.3
191.14273	11.7
191.18007	9.4
199.14835	7.3
201.16396	95.2
203.14319	20.5
203.17999	37.6
205.15881	100.0
207.17488	9.4
213.16368	12.8
217.12164	12.0
217.15974	7.7
219.17480	8.6
221.15459	6.8
223.16957	28.8
227.17879	5.6
231.13763	7.6
247.17035	14.3
249.14986	6.2
342.67978	5.5
389.32422	6.0
407.33258	39.1
409.34753	9.3
425.34073	24.2
435.28329	6.6
453.33450	17.4
489.19168	7.0
489.32227	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.13329	43.5
67.02199	37.6
67.05534	51.8
70.07437	74.1
70.07829	100.0
81.07039	60.5
98.21434	52.1
98.49083	38.0
108.22405	41.4
109.10191	46.8
121.10181	39.4
214.89735	41.7
229.28508	43.6
274.45990	40.9
303.13480	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03112	21.1
60.85300	22.5
61.71325	23.7
62.68126	20.3
66.40993	23.3
70.07815	100.0
93.07053	53.4
95.08613	68.1
98.20824	25.2
100.94558	20.0
102.08814	21.9
105.07005	22.4
107.08565	37.2
119.08550	26.4
156.90509	22.5
159.11739	28.4
170.65494	21.2
197.59019	23.9
213.91820	22.7
379.48108	23.0
428.70068	24.5
429.15439	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	489.3575
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
67.05481	14.2
69.64857	36.8
69.65258	16.5
73.58987	6.4
81.07047	14.4
83.08624	14.2
91.05466	19.8
93.07035	17.0
95.08591	26.4
99.08074	12.0
105.07023	39.3
107.08601	46.4
109.10146	10.0
119.08573	66.4
121.10188	35.9
131.08565	44.5
133.10147	46.2
135.11685	17.8
140.98322	6.4
145.10129	29.5
147.11703	60.9
157.10176	9.8
159.11688	38.6
161.13237	10.2
163.14844	10.5
173.13246	18.6
175.14804	13.4
177.16376	22.6
187.14845	47.7
189.16418	46.4
191.17966	9.2
201.16411	100.0
205.15886	74.1
207.17429	18.8
211.39813	6.6
213.16405	8.9
219.17503	12.9
227.18004	7.8
367.33850	9.6
407.33240	42.1
425.33997	24.3
453.33478	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3213
Annotation	Cilistol f
Peak:m/z	Relative Intensity
53.31577	2.5
55.01862	4.3
55.05503	10.0
60.94281	2.3
67.05509	16.8
69.03419	6.0
69.07051	11.4
70.05603	5.6
70.05978	10.0
78.63551	2.3
79.05499	20.3
81.07057	26.7
83.04964	6.1
83.08623	6.5
91.05473	21.6
93.07040	31.6
95.04967	6.6
95.08611	36.0
97.06530	12.4
97.10157	2.4
99.08091	25.8
103.05513	2.9
103.10641	2.5
105.07041	44.7
107.08592	49.4
109.06512	11.1
109.10156	20.5
111.08075	8.3
117.07006	9.0
119.07783	5.0
119.08586	67.1
121.06506	11.5
121.10151	37.6
123.08070	11.6
123.11703	6.1
125.05936	2.8
125.09618	3.6
129.07002	6.1
130.06549	2.7
131.08571	38.1
133.06529	7.6
133.10126	41.6
134.37811	2.4
135.08060	19.1
135.11740	12.8
137.09616	10.9
141.06981	5.5
142.07753	5.8
143.08592	21.0
145.10123	39.4
147.08031	9.9
147.11671	24.3
149.05959	3.4
149.09644	14.7
149.13275	5.8
151.11111	3.5
155.08586	5.6
156.09319	6.9
157.10150	22.5
159.08054	8.8
159.11719	32.2
161.09627	11.4
161.13248	14.0
163.11157	8.9
163.14766	7.7
165.09084	4.9
167.10686	3.1
168.09421	4.3
169.10138	9.2
170.10905	2.9
171.08049	5.7
171.11723	22.6
172.08905	4.0
173.09598	11.8
173.13268	39.9
175.11176	8.8
175.14828	13.5
177.12828	5.2
177.16380	3.9
179.08437	3.6
181.10208	5.9
183.11665	10.5
185.09601	9.1
185.13277	24.1
187.11189	8.4
187.14807	24.0
189.12775	15.2
189.16400	5.8
191.10870	2.7
191.14302	8.2
193.10054	3.5
195.11696	8.5
195.13660	3.5
197.13245	7.2
199.11215	12.7
199.14816	10.2
201.12851	12.7
201.16397	15.0
201.30257	3.0
203.14342	25.2
204.82245	2.9
205.15892	17.5
207.11754	2.9
209.13281	8.3
211.14832	5.7
213.12750	18.8
214.13495	3.8
215.14326	7.8
217.12392	3.5
217.15942	4.0
219.13837	9.7
221.15323	4.6
223.14795	4.3
225.12773	5.4
227.14349	6.4
229.15869	5.6
231.13850	16.2
231.17342	3.7
233.15446	3.0
237.16196	3.2
237.89853	2.8
239.14311	5.5
239.18045	3.1
249.14825	7.1
251.14516	2.7
255.17622	3.9
267.17401	3.0
269.18991	5.1
279.17377	3.5
281.18912	4.2
285.18585	19.9
297.18442	3.7
299.20035	3.2
325.21555	6.1
345.21979	3.0
349.21271	4.2
363.23105	7.8
381.24023	5.3
393.27853	3.7
399.27289	4.9
405.27841	8.4
407.33279	5.3
411.28900	4.2
417.27704	15.9
423.28891	11.5
435.28806	67.2
443.35373	5.7
453.29663	58.2
458.17087	4.5
471.30954	87.3
472.31534	3.1
489.18097	6.3
489.32004	100.0
490.19443	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	489.3214
Annotation	Camphoratin A
Peak:m/z	Relative Intensity
51.43351	8.4
51.64242	7.3
53.03954	7.3
54.20937	6.7
55.05507	22.5
57.04485	7.5
59.04048	8.0
67.05519	41.4
69.03425	10.1
69.07072	22.6
69.26859	8.6
79.05502	32.7
81.07072	55.8
83.05010	16.6
83.08636	14.7
91.05501	33.2
91.29958	6.5
93.07051	57.1
95.04939	15.7
95.08620	99.8
98.20772	17.7
105.07040	100.0
107.05018	9.1
107.08614	65.3
109.06519	11.6
109.10194	55.8
110.85762	8.6
119.08594	91.5
121.06495	32.7
121.10149	42.6
123.08084	15.5
129.07063	9.3
131.08609	58.3
133.10185	45.1
135.08078	41.0
135.11699	30.3
135.13649	7.4
137.09715	10.1
142.07790	8.7
143.08601	18.1
145.10143	56.3
147.08101	11.4
147.11708	47.0
149.06058	10.9
149.09616	14.7
149.13248	24.1
156.09441	7.5
157.10152	24.8
159.11725	31.8
161.09637	18.1
161.13271	45.7
163.03938	17.9
163.11290	11.2
163.14819	26.6
165.09126	28.7
169.10115	9.8
171.11719	20.1
173.13284	58.8
175.11147	9.3
175.14868	36.2
177.12816	9.4
183.11720	14.5
185.13344	14.1
187.11275	12.7
187.14786	23.3
189.12770	19.6
189.16414	21.0
191.14301	61.7
199.14767	17.4
201.16376	19.6
203.14354	45.5
203.18091	21.8
205.15895	32.4
207.13814	9.0
213.16345	8.8
215.14304	9.1
217.15884	22.8
219.13866	35.2
229.16005	10.0
235.13336	12.0
235.16969	17.1
239.66833	8.1
243.17451	12.5
247.16896	9.6
310.10461	8.0
389.28146	12.6
391.30188	14.6
407.29544	31.8
425.30197	60.2
435.28781	10.6
443.31686	31.0
453.29855	56.6
471.30939	23.9
489.32639	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	489.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.5
62.43820	1.6
63.65869	1.4
67.05505	6.7
69.03422	2.8
69.07070	3.6
69.29411	1.2
70.29421	1.3
79.05504	8.0
81.03383	1.6
81.07067	14.9
83.08642	2.0
91.05477	8.2
93.07059	9.7
95.04988	2.4
95.08620	14.1
97.06525	2.7
99.04479	1.5
99.08084	3.3
105.07034	16.4
106.07400	1.6
107.08599	17.3
109.06530	4.3
109.10163	8.1
111.08092	2.2
115.05448	1.9
117.07053	2.6
119.08593	22.8
120.08892	2.2
121.06546	2.4
121.10148	14.0
123.08102	4.7
123.11707	4.0
125.09698	2.2
129.07025	2.9
131.08600	10.7
132.08936	1.9
133.10143	12.9
135.08083	3.1
135.11693	4.2
137.05971	4.8
137.09621	3.6
141.06992	2.0
142.07785	3.0
143.08562	4.4
145.06470	4.0
145.10123	12.0
147.08031	5.2
147.11671	8.0
149.09613	3.9
149.13264	2.7
155.08560	2.1
156.09380	6.3
157.10147	5.5
158.07266	2.4
159.08084	7.1
159.11693	13.5
160.12051	1.9
161.09602	4.8
161.13284	7.6
163.11168	2.1
163.14783	1.7
169.06491	2.8
169.10172	4.1
170.10876	1.4
171.08054	5.8
171.11725	11.1
172.08812	3.4
173.09654	5.0
173.13257	7.4
174.10458	1.8
175.07619	2.2
175.11192	4.0
175.14825	5.2
177.09106	2.8
177.12717	1.5
181.10124	2.4
182.34531	1.4
183.07921	1.8
184.08875	18.8
185.09593	3.8
185.13225	3.5
187.11226	13.1
187.14844	6.1
189.12714	9.3
189.16313	2.0
191.14316	3.4
196.08951	1.9
197.09615	15.9
198.10416	2.2
199.11195	100.0
200.11490	2.2
201.05508	3.5
201.12767	5.9
201.16342	4.9
203.14328	3.8
205.15807	1.9
211.11165	8.0
213.12744	16.7
215.10727	12.8
215.14264	2.8
217.12256	21.9
217.15828	2.5
218.13071	2.5
219.13811	4.2
219.17412	3.4
225.12689	3.3
229.12297	2.5
231.13820	6.5
305.08051	1.8
337.10760	4.6
405.27750	1.9
413.52728	1.5
417.28058	3.6
418.37570	1.6
423.29019	3.1
435.28958	12.2
453.30032	13.1
471.31088	64.9
472.31607	2.9
489.32059	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	489.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02739	1.6
53.03943	3.0
55.01845	2.1
55.05303	1.8
55.05516	20.8
57.03440	18.4
57.07071	6.4
57.37423	1.6
63.50791	1.8
65.03925	1.9
67.05508	72.0
69.07079	16.1
77.03961	1.7
79.05062	2.7
79.05499	45.7
81.07063	66.1
83.08627	9.6
85.06532	3.9
91.04973	1.8
91.05489	29.8
91.79247	1.6
93.06463	3.1
93.07052	55.0
95.04980	4.3
95.08611	53.7
97.06532	4.3
97.10189	2.8
98.98477	69.4
99.08074	2.6
105.07041	30.8
107.08603	36.1
109.06490	3.6
109.10165	28.6
116.99487	1.9
117.07031	13.5
119.08588	30.8
119.09436	1.6
121.06519	2.5
121.10152	27.2
123.08069	1.8
123.11706	9.1
128.06300	1.8
129.05548	2.4
129.07039	3.2
131.08578	22.5
133.10129	22.4
135.11700	24.6
136.99998	3.8
137.13246	4.3
143.08569	4.7
145.10165	15.9
147.11699	16.0
149.09615	3.1
149.13260	10.3
152.66660	1.5
153.12662	1.7
155.01053	68.3
155.08612	2.0
157.10126	5.4
159.11726	15.4
161.13306	9.6
163.14822	7.9
169.10069	2.1
171.11702	6.9
173.13234	14.6
175.14848	5.8
177.16412	4.0
183.11679	1.9
185.13245	4.5
187.14836	8.0
189.16454	2.4
195.88091	1.6
197.13208	2.9
199.14853	1.9
201.16367	5.3
205.15883	3.6
211.03668	5.0
213.16434	2.0
229.04758	5.9
243.21114	21.4
261.22186	34.3
279.23224	2.3
291.23312	2.0
296.54126	1.8
302.50369	1.6
312.63031	1.6
317.24792	15.0
335.25827	100.0
336.25986	2.6
379.29929	4.6
397.31171	10.8
415.22559	3.1
415.31686	2.0
453.33557	2.3
471.25012	12.5
471.34460	4.6
489.35788	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.05524	24.9
57.03442	8.6
57.07074	13.3
61.02959	5.3
63.27557	5.1
67.05164	8.2
67.05503	77.9
69.07063	40.7
70.31444	15.7
79.05482	33.1
81.07059	95.1
83.04971	6.0
83.08625	16.0
91.05490	38.7
93.07040	51.2
95.04981	6.7
95.08614	100.0
97.06519	10.3
97.10172	13.5
98.98487	11.3
99.08089	7.0
105.07050	32.5
107.04971	7.3
107.08605	47.7
107.22273	4.9
109.06520	6.7
109.10167	52.1
113.09699	8.8
119.08594	44.4
121.10153	38.2
123.08105	5.5
123.11713	26.9
127.11211	4.3
127.60786	5.3
131.08562	19.5
133.10149	41.0
135.08020	5.6
135.11714	42.8
137.09663	10.3
137.13248	17.2
139.03923	6.9
139.11192	11.4
143.08492	5.5
145.10141	18.4
147.11685	22.3
149.09630	6.5
149.13257	13.3
151.14862	15.4
155.01039	6.2
157.10193	6.1
159.11758	23.9
161.13274	18.0
163.14862	11.1
165.09097	50.2
171.11681	12.7
173.13295	6.6
175.14844	9.9
179.10764	5.1
183.11743	6.0
185.13315	16.3
187.14793	11.4
189.16388	10.7
191.17958	48.9
199.14859	10.6
201.16367	13.8
203.14313	9.7
203.18091	5.5
205.15814	7.9
217.15944	10.6
217.19560	47.5
235.17052	11.0
235.20636	42.9
242.71056	4.9
245.15544	4.7
287.51895	4.9
309.03909	34.7
309.24222	24.5
341.41510	4.7
407.32837	9.1
425.34073	18.4
443.34705	7.2
467.34619	7.3
471.34680	15.3
489.09488	5.4
489.35727	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	488.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
57.03432	10.8
58.51589	3.0
65.86121	3.1
67.05512	73.1
69.03416	13.8
69.07076	5.2
70.06609	17.3
71.04973	3.1
73.02930	16.0
79.05450	3.1
81.03400	5.0
81.07064	8.6
83.08624	9.0
84.04520	5.9
84.08123	7.8
85.02897	12.8
85.06558	17.9
86.09715	20.6
91.05501	3.8
95.04971	2.8
95.08635	3.2
97.02881	13.6
109.10162	100.0
115.03919	8.4
117.07030	10.7
121.02859	5.1
121.06475	3.8
127.11207	57.4
129.10190	3.2
130.08636	7.9
145.02841	3.9
147.04387	5.3
157.97557	3.0
159.02869	6.1
163.03868	15.5
177.03976	13.2
178.05017	78.0
206.04520	93.9
238.04132	3.0
285.13300	8.7
328.14078	4.7
364.16055	6.1
368.09573	4.1
439.43228	3.5
488.11682	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	489.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	5.0
66.51553	1.8
69.03424	2.5
69.07083	1.6
69.53379	4.9
69.53790	7.2
70.06602	3.6
79.05489	2.0
80.66709	1.5
81.03458	2.0
81.07072	3.8
83.04990	1.7
85.02892	4.8
86.09706	3.2
87.84539	1.6
93.07029	3.5
95.08597	1.8
97.02874	2.9
98.97572	6.7
105.07041	2.7
107.04904	1.5
107.08626	3.7
109.02845	1.5
115.00709	4.7
117.07024	2.6
119.08581	4.3
121.10150	4.5
123.04462	1.9
127.03880	1.6
131.04980	4.0
131.08531	3.0
133.01758	3.8
133.10135	2.8
137.05997	2.1
143.08569	2.6
145.10167	2.5
147.04440	3.5
147.08125	1.5
148.33240	1.8
149.09679	4.0
157.10196	2.1
159.11707	2.3
163.03906	2.1
165.09222	1.5
167.10712	2.1
171.11763	2.1
173.09503	1.7
173.13364	2.7
177.29279	1.5
181.04993	3.0
205.08617	2.0
207.13867	2.4
217.12248	2.0
223.09787	2.1
267.09042	19.6
285.10117	17.9
309.10046	17.5
327.05002	7.3
327.11395	7.3
369.12231	6.1
429.14291	3.9
453.29971	2.2
471.30923	7.5
489.17392	100.0
490.17844	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	488.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68257	0.4
57.07076	1.0
65.03943	0.9
67.05512	0.4
69.03428	0.9
71.33923	0.5
81.03415	1.1
85.02904	1.9
85.05013	0.4
87.00827	1.2
95.08593	0.4
97.02898	1.4
99.04481	0.5
105.01848	0.5
109.02877	0.8
119.08637	0.4
121.02903	1.9
127.03903	1.2
145.04909	0.5
149.02353	100.0
150.02663	0.7
167.03360	1.3
205.08649	3.6
223.09691	12.0
223.11913	0.6
233.58499	0.4
312.22018	0.5
420.96088	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	487.3422
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05497	15.2
66.27280	4.2
67.05515	24.4
69.03410	5.6
69.07066	17.9
69.28802	4.9
69.94265	21.1
79.05515	23.5
80.75645	4.2
81.07058	34.5
83.04995	6.3
83.08630	10.7
85.43314	4.5
91.05469	24.8
91.49684	3.9
93.07043	48.6
95.04948	6.8
95.08608	54.4
97.06536	11.4
99.08092	14.0
105.07038	61.0
107.08598	77.0
109.06500	7.0
109.10158	38.9
117.07046	9.3
119.08588	79.1
121.06489	5.5
121.10131	48.5
123.08054	9.1
123.11728	14.8
129.07118	7.3
131.08595	39.9
133.10132	66.3
135.08057	5.6
135.11717	36.4
137.09581	6.4
138.92188	4.1
143.08578	20.8
145.10127	51.0
147.11700	55.5
149.09663	6.8
149.13248	8.4
155.08557	11.4
155.64757	4.9
157.10147	29.0
159.11714	41.9
161.13275	25.3
163.14839	10.6
165.12703	5.5
169.10139	7.7
171.11671	21.9
173.13327	30.3
175.14844	23.4
177.12785	12.1
177.16380	11.1
179.14174	5.6
181.10056	4.9
183.11655	14.8
185.13277	50.9
187.14848	43.6
189.12849	6.8
189.16365	25.9
195.11739	8.8
195.13744	6.0
197.13336	11.0
199.14847	31.2
201.16400	36.6
203.14276	47.2
203.17960	8.0
205.15926	27.3
209.13324	6.9
211.14879	8.3
213.16406	19.6
215.17995	8.1
217.15942	17.6
223.16939	12.2
225.16409	5.1
229.19623	6.1
231.17413	5.5
235.16968	6.0
237.16351	4.5
239.17960	5.0
247.17113	5.4
249.14900	16.6
253.19684	7.2
267.21146	6.0
283.20587	30.7
301.21600	7.1
405.31473	31.1
423.32700	45.8
433.31021	5.8
439.32053	89.4
441.33652	100.0
451.32001	17.0
469.33200	16.8
480.33868	5.4
487.28494	5.9
487.34305	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	487.3422
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03944	3.7
54.78385	3.0
55.05513	20.9
57.07061	5.1
67.05510	25.0
69.03404	6.9
69.07066	23.8
69.42555	7.4
69.42954	24.7
71.04981	4.3
76.40596	3.0
76.82178	3.3
79.05514	24.3
81.03418	4.1
81.06639	4.5
81.07062	58.4
83.04974	10.1
83.08614	9.9
85.02905	5.1
91.05493	26.8
93.07052	55.8
95.04962	9.9
95.08610	76.6
97.06532	10.1
97.10186	5.3
99.08082	4.2
104.65253	3.5
105.07030	66.4
107.08602	81.9
109.02852	4.6
109.06496	8.7
109.10172	42.5
111.08076	7.8
117.07104	6.4
119.08586	100.0
121.06519	6.1
121.10145	45.3
123.08054	9.0
123.11732	16.1
125.09641	19.0
129.07030	8.8
130.06549	19.0
131.08575	54.9
133.10132	66.5
135.08069	6.9
135.11696	27.5
137.09621	5.7
141.06892	4.0
142.07794	6.6
143.07626	3.1
143.08556	19.1
144.09409	3.3
145.10135	66.2
147.08096	4.5
147.11703	42.0
148.03741	3.1
149.09650	5.7
149.13242	21.9
151.11238	4.7
153.09146	4.4
154.04776	3.0
155.08563	4.9
156.09340	5.3
157.10139	27.6
158.11040	4.2
159.11694	62.0
161.09665	7.8
161.13284	32.0
163.07651	3.5
163.11194	5.3
163.14880	20.7
165.12753	6.0
169.10147	8.9
170.10883	6.2
171.11719	20.1
173.13271	49.7
175.11186	6.8
175.14847	36.9
177.12657	4.2
177.16423	19.0
179.14369	5.4
183.11703	8.8
185.13286	39.1
187.14847	57.9
189.12770	4.7
189.16386	32.8
191.14371	17.6
191.17899	11.8
195.11554	3.9
197.13210	9.7
199.14818	32.3
201.12585	4.0
201.16394	80.8
203.14322	25.1
203.17975	30.0
205.15848	24.0
211.14751	7.0
213.16412	20.4
215.14250	4.6
215.17937	12.1
217.12267	4.1
217.15840	14.7
219.17438	12.0
221.15385	17.2
223.14929	3.6
223.16963	3.8
225.16400	7.2
227.17950	9.4
231.17464	10.4
233.15402	5.6
235.16931	3.9
239.18042	6.7
241.19582	4.1
245.15331	6.8
247.17000	20.5
249.14781	16.7
253.19443	5.3
263.16434	4.6
267.20987	7.3
281.22665	5.2
287.20084	3.4
321.25894	3.5
387.30252	11.3
389.31985	4.1
405.31506	38.0
407.33014	9.0
423.32523	33.1
425.34564	3.9
433.30865	13.3
439.31921	9.9
441.33807	16.1
451.31964	29.8
469.33655	24.6
487.34573	40.3
490.03378	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	487.3423
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.44359	3.2
53.03939	8.6
54.67053	3.4
55.01877	3.8
55.05511	22.7
57.07080	6.9
59.83833	4.3
64.85931	3.4
67.05511	27.2
69.03426	14.7
69.07066	24.1
70.06590	4.0
70.84586	9.0
71.04989	7.6
72.08139	4.1
79.05490	25.1
81.03423	10.7
81.07051	54.4
83.05016	7.2
83.08615	12.6
85.02900	13.3
85.06554	5.7
86.09712	3.7
91.05476	37.1
93.07048	51.4
95.04978	13.5
95.08605	69.6
97.02907	6.6
97.06529	14.8
99.08087	7.3
101.58922	3.7
103.05454	6.6
105.07026	74.2
106.07378	4.6
107.08598	74.4
109.02838	5.2
109.06518	10.7
109.10165	46.0
111.08082	12.3
117.07018	14.5
119.08594	100.0
121.06522	11.8
121.10142	61.3
123.08086	10.4
123.11701	16.7
125.09633	7.3
127.03929	10.9
127.11211	5.0
128.06189	3.8
129.07098	5.0
130.06566	5.4
131.08585	39.5
133.06493	6.6
133.09229	6.4
133.10139	69.9
135.08066	10.7
135.11702	35.3
137.09627	6.1
137.13264	5.5
139.11201	4.9
141.09099	4.1
142.07796	9.8
143.08540	24.1
144.09319	6.7
145.10136	64.6
145.22325	4.2
147.08099	10.8
147.11696	48.6
149.09610	10.4
149.13266	18.8
151.07588	4.8
153.12758	8.4
155.08591	7.0
156.09393	7.0
157.10147	30.8
158.10788	5.3
159.03036	3.7
159.08089	4.2
159.11699	54.1
161.09648	13.4
161.13290	28.4
163.03934	14.7
163.11150	20.4
163.14812	20.8
164.04256	4.9
165.09125	5.4
165.12799	3.7
169.10133	12.5
170.10902	7.7
171.08102	4.4
171.11687	24.3
172.61002	3.9
173.09686	6.1
173.13266	41.5
175.11221	14.5
175.14835	28.3
177.12807	11.2
177.16422	12.7
179.10672	5.4
181.10146	6.0
183.11700	18.6
185.13297	32.8
187.14841	43.2
189.12717	10.7
189.16451	22.6
191.14339	25.9
191.17924	5.2
193.12314	7.4
193.15929	3.8
195.11781	4.9
197.13284	10.4
199.14792	28.3
201.12759	12.4
201.16354	35.3
203.14371	35.2
203.16031	4.6
203.17935	25.7
205.15881	17.3
205.19478	4.7
209.13359	5.7
211.14845	8.9
213.12717	5.1
213.16420	6.5
215.14214	6.6
217.12210	4.0
217.15901	14.4
219.13741	6.7
219.17555	5.0
221.15382	13.3
221.18971	7.6
223.14766	4.1
225.16446	5.7
227.17990	6.5
229.15767	4.7
229.19507	4.4
231.17497	5.2
235.17055	11.4
239.16296	4.3
239.20195	4.7
241.19516	6.4
247.16974	12.3
249.14853	5.5
249.18668	4.6
253.19492	6.7
255.21193	4.7
257.18936	4.1
259.16953	5.0
299.20068	9.8
309.03922	14.7
393.31650	6.4
405.31595	25.2
421.31207	9.0
423.32642	35.5
433.30896	11.9
439.32159	17.5
441.33832	29.4
451.32617	21.8
469.33676	26.0
487.30228	16.9
487.34137	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	487.3423
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05512	19.5
57.07076	7.5
63.86379	5.8
67.05508	15.1
69.03419	15.3
69.07073	16.5
69.50121	45.3
72.35638	6.5
73.51854	6.0
79.05515	24.3
81.03413	13.5
81.07077	39.0
83.08636	15.8
85.02924	17.0
85.06558	12.5
90.20056	6.3
91.05488	39.0
93.07057	32.6
95.04985	9.0
95.08613	55.7
95.79121	6.6
97.02913	7.2
97.06548	11.3
99.08110	8.8
105.01891	6.1
105.07043	53.2
107.08614	74.0
109.02858	7.3
109.09539	6.8
109.10164	34.9
111.08090	11.9
117.07016	14.5
119.04878	9.6
119.08597	100.0
121.06527	13.8
121.10162	54.1
123.08092	9.5
123.11729	14.4
130.07855	8.3
131.08569	36.6
133.10156	58.7
135.04419	12.7
135.08090	22.0
135.11716	23.7
143.08560	19.3
145.10123	63.4
147.04451	35.4
147.08130	9.9
147.11707	34.4
148.07564	10.5
149.09703	7.1
149.13284	13.1
151.11200	8.5
153.09135	15.0
157.10170	22.8
159.11671	58.2
161.09579	7.3
161.13329	22.3
163.04015	15.0
163.11195	22.7
163.14857	15.6
165.12753	8.0
171.11745	24.8
173.09546	9.3
173.13243	32.4
175.11212	14.2
175.14871	37.3
177.16452	16.5
179.03378	16.7
181.10049	7.0
185.13307	27.0
187.11165	7.7
187.14842	51.5
189.12794	11.0
189.16376	44.3
191.14381	6.6
197.13321	12.9
199.14761	35.8
201.05481	14.8
201.12766	7.3
201.16406	48.4
203.14348	23.9
205.15939	78.2
207.17474	6.6
211.14995	6.0
213.16412	10.6
215.18007	11.1
217.15860	40.2
219.13889	9.1
221.15375	12.3
223.16957	10.4
227.18098	8.7
245.15442	30.7
246.21806	7.4
263.16702	7.7
395.32904	8.9
405.31604	23.8
423.32394	36.4
433.31430	9.7
441.33951	12.1
451.32104	28.1
469.33163	18.5
487.30136	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	487.342
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
53.24967	3.6
55.05516	15.6
57.03467	3.7
67.05505	29.8
68.75401	3.4
69.07072	12.3
71.05035	4.9
71.18218	7.8
71.18565	4.2
72.08149	4.2
74.09720	4.8
79.05503	35.5
81.07066	43.4
83.08634	14.4
85.06035	3.8
91.05493	21.9
93.07059	52.0
95.04980	4.6
95.08624	38.8
97.06531	5.1
105.07034	30.9
106.54156	4.1
107.08602	32.6
109.06559	10.1
109.10178	26.4
119.08582	44.5
121.10164	41.1
123.08069	4.3
123.11720	12.6
128.32164	4.0
129.07028	4.8
131.08598	25.9
133.10156	39.0
135.11734	23.9
137.09663	7.5
143.08591	16.1
145.10162	34.5
146.81779	4.4
147.11685	24.5
149.09604	6.6
149.13298	14.1
157.10162	17.3
159.11685	20.8
161.09679	7.3
161.13327	9.0
163.14822	15.5
169.10126	4.7
170.11052	4.5
171.11761	8.3
173.13307	14.0
175.14827	36.7
177.16388	8.8
185.13287	62.8
187.14821	30.7
189.16353	7.7
191.14432	5.6
193.15964	4.8
199.14848	15.5
201.16389	20.0
203.14311	60.3
205.15984	21.7
213.16342	4.5
215.17961	21.1
217.16016	5.3
221.15532	4.5
223.17015	9.0
231.13785	6.3
231.17545	5.2
233.19005	15.7
238.82970	4.1
247.16917	5.5
249.14919	27.0
307.22552	7.0
405.26309	10.3
405.31442	13.5
423.32532	21.9
441.33640	100.0
451.32138	11.4
469.33289	13.9
487.34192	96.1
488.34686	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	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05508	10.9
64.90426	3.1
67.05511	16.9
67.29534	2.8
69.03426	4.5
69.07069	14.0
69.55499	9.2
69.55924	11.7
79.05502	20.5
81.07058	40.3
83.08638	10.1
83.84772	2.8
91.05476	29.7
93.07048	43.5
95.04962	7.0
95.08612	47.8
97.06556	6.6
98.20735	3.9
99.08095	13.2
100.13081	3.1
105.07027	56.8
107.08591	68.6
109.06541	5.1
109.10168	23.0
117.07053	8.8
119.08583	100.0
121.06558	3.7
121.10154	39.4
123.08074	7.1
123.11725	9.6
125.09637	4.8
128.06282	3.3
129.07022	6.4
130.06551	6.1
131.08562	60.0
133.10127	60.9
133.11081	4.7
135.08083	4.3
135.11684	23.7
137.09590	4.9
141.06909	2.9
142.07745	4.9
143.08563	19.3
145.10129	62.1
146.05937	3.7
147.11688	84.9
147.12787	5.7
149.09628	7.0
149.13251	13.8
157.10130	26.5
159.11691	51.2
161.09650	11.1
161.13274	18.5
163.11180	6.1
163.14836	11.8
165.12712	3.7
169.10138	7.7
171.11656	16.9
173.13264	49.5
175.11188	5.5
175.14810	33.3
177.09181	3.6
177.12775	5.7
177.16408	7.2
179.10626	3.9
183.11749	10.6
185.13246	25.6
187.14827	68.3
189.12735	5.5
189.16423	12.3
191.14310	23.1
193.15884	5.9
197.13301	8.7
199.14827	28.6
201.16380	95.7
203.14343	20.5
203.18004	13.6
205.15912	21.1
211.14778	6.8
213.16428	16.0
215.14406	3.4
215.17987	9.4
217.15942	14.5
219.17386	17.2
221.15366	48.1
223.14862	4.5
223.17053	5.4
231.17439	6.7
235.17024	4.9
239.17941	4.2
247.16995	8.5
253.19690	5.3
267.21085	3.3
283.20544	6.8
285.22223	3.2
335.23801	3.8
369.27866	6.4
377.66782	3.4
387.30289	4.5
393.31857	4.7
405.31519	33.8
410.62140	2.9
411.32568	10.6
423.32675	36.4
430.68701	3.1
433.30978	7.1
439.32144	3.7
441.33594	28.9
443.22479	8.3
451.31985	18.3
469.32993	12.8
487.16263	2.8
487.21881	31.2
487.34869	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	487.3418
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
65.90603	9.6
67.05491	12.2
69.07056	14.4
69.94147	33.7
79.05495	14.0
79.64552	10.4
81.07053	37.8
91.05481	30.9
93.07034	39.8
95.08624	56.8
105.07033	48.8
107.08606	54.4
109.10182	26.6
110.21535	11.1
117.07006	10.9
119.08581	100.0
121.06490	14.6
121.10158	26.2
131.08524	29.2
133.10164	72.9
135.11700	19.8
138.83798	11.2
143.08510	17.5
145.10120	64.8
147.11688	30.4
149.13202	17.8
157.10153	28.9
159.11678	49.8
161.09596	15.5
161.13228	28.8
163.11148	10.7
171.11685	29.0
173.13243	48.6
175.14801	33.6
177.12810	13.5
183.81300	10.8
184.36858	12.3
185.13240	26.7
187.14815	34.9
189.12700	11.8
189.16327	30.4
191.14304	47.5
199.14825	16.3
201.12752	13.7
201.14641	12.6
201.16368	38.8
203.14247	38.3
203.17952	43.9
205.15936	15.0
205.19572	16.0
217.15894	23.2
221.15291	27.3
229.19348	14.9
235.16956	19.8
239.16362	21.5
247.16965	18.7
278.52933	12.0
393.31592	17.8
405.31458	18.8
423.32571	36.7
441.33664	15.0
451.31491	19.7
469.33179	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	487.3423
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05523	17.5
57.03432	8.2
57.07068	10.8
64.38786	7.6
67.05513	33.7
69.07079	10.2
71.58558	7.6
79.05495	22.5
79.95454	6.6
81.07058	28.7
83.08611	15.2
91.05486	34.1
93.07061	41.3
95.08620	43.0
99.08125	9.0
105.07040	59.2
107.08608	60.4
109.10171	32.7
117.07021	7.2
119.08591	100.0
121.10165	39.5
123.08043	11.5
123.11742	8.8
131.08594	39.8
133.10161	54.2
135.08083	27.7
135.11711	33.0
137.09702	7.8
143.08562	17.7
145.10127	42.0
147.11685	56.3
149.13260	23.4
157.10170	23.2
159.11699	39.1
161.13307	22.2
171.11693	10.8
173.13284	32.4
175.14803	23.2
177.12810	8.9
177.16339	8.7
185.13159	16.4
187.14809	83.3
189.16420	21.1
191.14360	20.6
197.13466	7.5
199.14899	9.8
201.16386	53.3
203.14383	16.9
205.15919	28.0
211.14929	9.8
213.16423	9.7
221.15398	22.2
229.16000	16.6
241.19704	10.2
259.20682	10.3
369.27875	8.3
385.09619	8.6
405.31555	44.2
423.32587	68.2
441.33649	30.4
451.32239	8.9
465.40143	7.9
469.33105	28.5
481.27036	8.6
487.34485	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	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05505	30.6
56.19684	6.4
61.07463	6.2
62.96302	7.0
64.46190	6.7
67.05509	23.7
69.07069	26.2
70.78853	17.7
78.76003	7.6
78.82981	7.2
79.05495	27.0
81.07063	59.2
83.08668	11.6
91.05474	37.5
93.07052	63.2
95.08614	65.7
97.06557	11.8
99.08100	11.9
105.07039	83.9
107.08614	95.0
109.06528	8.2
109.10159	43.1
117.06959	9.1
119.08578	100.0
121.10146	65.5
123.08080	10.8
123.11713	15.1
125.09603	33.3
131.08588	58.2
133.10141	74.5
135.11714	40.2
137.09647	12.0
142.07843	7.7
143.08560	24.9
145.10153	80.6
147.11710	54.5
149.09669	12.6
149.13290	17.6
156.09351	9.2
157.10155	37.7
159.11717	56.3
161.09721	8.7
161.13306	25.3
163.14845	10.0
169.10115	13.1
170.10966	8.8
171.11685	37.7
173.13298	50.8
175.14828	27.4
177.16391	16.7
183.11705	10.8
185.13257	42.4
187.14845	69.9
189.16409	31.7
191.14345	9.0
195.11717	7.8
199.14813	44.8
201.16396	55.1
203.14349	25.0
203.18071	10.7
205.15886	14.1
211.14761	9.3
213.16449	28.7
217.15950	10.3
219.17334	8.2
227.18040	12.6
231.17506	14.1
239.17879	12.7
241.29340	8.1
245.15390	16.3
247.16995	10.2
249.14848	26.1
259.16928	9.3
281.15417	7.7
281.22903	9.9
339.23502	8.2
405.31622	64.6
423.32544	27.4
433.30957	27.2
451.32251	48.0
469.33231	16.8
487.34903	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	487.3422
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.40976	7.3
55.05510	18.3
61.88924	6.7
67.05505	36.7
68.34668	6.5
69.07062	15.2
70.51541	25.6
79.05498	25.8
81.07072	51.3
83.08635	13.1
91.05476	32.6
93.07042	49.6
95.04971	12.1
95.08607	100.0
105.07030	68.5
107.08608	69.0
109.06569	8.6
109.10164	39.1
117.06969	11.6
119.08582	99.8
121.06529	12.2
121.10154	80.9
123.08069	17.3
123.11736	15.3
131.08566	35.3
133.10141	81.3
135.08035	17.6
135.11699	30.1
143.08574	25.1
145.10150	46.8
147.08220	11.6
147.11725	39.3
149.09639	17.7
149.13258	20.1
157.10175	19.9
159.11667	45.2
161.09663	11.2
161.13260	32.0
163.14830	19.1
165.09151	32.4
171.11742	13.5
173.13248	41.3
175.11247	8.2
175.14812	30.1
183.11775	11.2
185.13283	14.3
187.14861	61.5
189.12767	24.9
189.16389	50.1
191.14397	18.7
191.17892	11.2
199.14844	27.6
201.16417	37.4
203.14439	10.4
203.17915	45.6
207.13925	10.9
213.16420	23.5
215.14395	8.6
215.17947	29.9
217.15958	14.6
219.13786	12.3
229.19508	9.0
231.17464	13.4
233.15225	8.8
235.16910	28.2
241.19531	10.2
244.17113	7.9
247.16910	17.6
249.18468	12.0
261.18408	11.8
269.22418	8.7
308.33420	7.8
326.56689	7.5
405.31689	37.8
423.32562	68.6
433.30804	16.9
441.33554	20.0
451.32098	31.8
469.33090	28.6
487.34235	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	487.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11349	7.1
53.92980	7.8
69.53367	48.3
75.87018	7.5
79.05467	12.9
81.07043	13.0
91.05503	11.3
93.07052	28.1
95.08582	39.4
98.20693	14.1
99.58063	8.5
105.07041	51.7
105.91131	8.0
107.08588	52.1
109.06509	10.9
109.10156	18.0
119.08582	57.2
121.10167	30.0
130.93727	7.4
131.08595	38.2
133.10136	39.7
135.08081	10.1
135.11673	12.3
143.08646	9.5
145.10112	51.7
147.11688	26.2
149.13257	13.1
157.10094	16.9
159.11703	44.8
161.13237	12.6
163.14827	19.7
171.11563	10.9
173.13287	35.7
175.14838	24.4
177.16357	10.5
185.13193	18.0
187.14825	39.4
189.16356	14.8
191.14314	68.2
196.32416	7.6
199.14774	13.8
201.16394	100.0
203.14384	11.3
203.17995	27.7
205.15990	21.2
213.16415	8.1
217.15836	13.0
221.15430	26.0
242.35156	8.6
244.27223	8.3
247.16934	32.4
255.20949	8.4
405.31442	15.5
423.01746	8.1
423.32654	57.2
451.32071	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	487.3422
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.51947	3.8
53.03945	9.0
55.05510	12.5
67.05508	25.7
69.03426	7.3
69.07070	12.7
70.88934	9.8
75.62364	3.6
79.05482	22.4
81.07066	41.9
83.08620	5.0
85.02895	10.6
85.06548	7.3
91.05487	29.2
93.07057	40.3
95.04977	6.8
95.08611	49.7
97.06528	14.8
99.08081	7.7
105.07040	74.3
107.08601	59.6
109.06535	8.0
109.10167	29.1
111.08112	5.2
114.68932	4.2
117.06985	13.3
119.08590	100.0
121.06536	14.2
121.10152	39.0
123.08075	9.6
123.11667	9.4
125.09628	5.9
127.03922	6.1
129.06924	5.5
131.08568	53.1
133.10149	62.2
135.08081	8.3
135.11725	21.7
137.09654	6.9
142.07764	6.7
143.08600	22.5
144.09312	5.6
145.10153	55.9
147.08031	8.5
147.11700	88.9
149.09648	9.8
149.13287	7.5
151.11267	4.7
155.08537	5.9
157.10129	21.5
158.10939	4.8
159.08083	6.5
159.11736	44.5
161.09624	13.7
161.13280	25.5
163.11234	4.7
163.14835	11.3
169.10147	11.2
170.10959	4.7
171.11714	17.0
173.13292	49.3
175.11215	10.2
175.14854	32.8
177.12804	6.5
177.16380	9.7
183.11693	9.2
185.13264	30.4
187.14835	66.7
189.12766	5.5
189.16431	16.8
191.14287	29.1
197.13289	6.7
199.14793	20.9
201.12563	5.2
201.16429	92.8
203.14305	25.9
203.17950	13.0
205.15808	22.7
211.14883	5.9
213.16425	13.0
213.24792	4.3
215.14398	5.4
215.17943	8.6
217.15848	8.6
219.17523	19.0
221.13283	7.3
221.15344	43.7
227.18030	5.2
235.17021	4.2
243.17245	4.2
249.14799	4.9
272.38889	4.1
340.84232	4.5
387.30588	6.7
393.31613	8.4
405.31482	28.0
411.32712	13.1
423.32611	31.6
433.31241	7.6
441.33725	19.3
451.31940	12.5
469.33014	18.6
487.30170	19.8
487.35065	7.2
499.48297	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	487.3059
Annotation	Tubelactomicin A
Peak:m/z	Relative Intensity
55.05509	3.8
57.07059	1.0
67.05511	5.4
69.03422	1.5
69.07059	2.4
71.59521	1.5
79.05492	4.6
81.07065	7.1
83.08646	1.2
85.02921	0.9
85.06509	1.0
91.05488	9.5
93.07060	9.2
95.04965	1.9
95.08611	9.3
97.06559	2.0
99.08075	1.7
105.07040	15.1
107.04964	1.8
107.08607	17.0
109.06526	2.2
109.10165	6.9
111.08073	1.8
117.07005	3.5
119.07779	1.9
119.08595	25.2
121.06516	13.4
121.10163	6.9
123.08111	4.9
123.11708	1.7
125.06034	2.7
125.09639	2.7
129.07018	1.8
131.08588	12.2
133.06488	2.2
133.10150	12.0
135.08087	12.5
135.11705	3.3
137.09615	5.4
142.07774	1.9
143.08589	5.0
144.09305	1.5
145.06535	3.0
145.10147	18.0
147.08081	7.6
147.11703	6.6
149.09621	4.9
149.13277	3.1
155.08543	1.6
157.10156	10.3
158.07259	1.1
158.10924	3.2
159.08096	6.3
159.11722	14.2
160.08809	1.5
161.09622	9.1
161.13264	8.4
163.03922	1.7
163.07506	2.3
163.11194	4.3
163.14812	2.8
169.10159	3.3
170.10982	1.6
171.08057	1.6
171.11717	7.8
172.08800	2.0
173.09647	6.3
173.13269	25.7
174.10297	1.2
175.11203	11.5
175.14812	6.3
177.09114	2.3
177.12718	4.9
183.11737	3.3
185.09596	2.0
185.13277	3.9
186.10411	1.8
187.11215	4.4
187.14832	9.3
189.12746	14.0
189.16385	4.5
191.10652	2.0
191.14301	9.9
193.12286	3.1
195.11818	1.2
197.13321	2.3
199.11211	4.8
199.14844	5.1
201.11040	1.9
201.12785	26.3
201.16423	2.2
203.14348	20.5
205.15829	2.2
207.13792	2.5
211.14886	1.5
213.12782	2.7
213.16568	1.3
215.14352	16.9
215.17973	1.5
217.12274	2.6
217.15895	5.7
219.13885	6.8
219.17480	1.3
221.15434	1.1
225.78960	1.1
227.14404	1.5
227.18169	1.6
229.15860	2.0
233.15396	4.1
235.13338	2.6
243.17491	2.0
253.14346	1.9
255.17438	2.9
273.18512	1.5
281.18893	1.1
305.03500	0.9
311.19888	1.1
377.87103	1.1
387.26831	3.0
389.28455	1.7
405.27942	4.0
407.29410	2.1
423.29001	2.9
433.27081	2.1
451.28018	5.9
469.29309	12.8
477.14661	1.1
487.30539	100.0
488.30734	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	487.3057
Annotation	Tubelactomicin A
Peak:m/z	Relative Intensity
52.66497	4.0
55.01865	11.5
55.05498	16.3
57.07084	5.6
67.05511	30.5
69.03414	18.9
69.07060	19.6
69.37756	18.9
69.38181	17.6
71.04985	11.2
79.05489	28.1
81.03403	5.2
81.07058	66.0
83.04995	6.8
83.08621	12.5
85.02896	16.3
85.06545	6.0
86.09716	4.8
87.00837	7.7
91.05482	40.6
93.07049	53.3
95.04979	13.3
95.08613	55.5
97.02874	7.4
97.06504	12.4
98.21455	8.7
99.04453	6.9
99.08093	6.4
105.07027	69.6
107.08604	65.9
109.02902	6.7
109.06489	15.7
109.10151	36.6
111.08097	9.4
115.05389	6.0
117.07011	11.8
119.08584	86.8
121.06499	15.5
121.10162	29.3
123.08083	28.7
123.11696	19.7
123.12476	4.4
125.09628	8.4
127.03920	12.0
127.11246	5.0
129.06996	14.0
130.07776	4.7
131.08562	35.8
133.06485	6.6
133.10132	61.5
135.04446	7.8
135.08069	13.2
135.11691	67.0
137.09586	15.7
141.06950	5.3
142.07758	7.7
143.08560	20.8
145.06554	5.2
145.10126	46.4
147.08035	16.1
147.11681	37.9
149.09602	9.2
149.13333	6.2
151.11177	18.1
155.08606	7.0
156.09348	9.8
157.06465	6.2
157.10133	32.3
159.08026	12.5
159.11714	38.9
161.09633	16.6
161.13203	20.5
163.03894	14.2
163.11179	27.6
163.14888	6.5
167.08591	7.3
169.10097	14.9
170.10693	4.2
171.11720	33.5
172.08655	4.3
173.09631	12.5
173.13242	25.0
175.11201	11.8
175.14844	9.9
177.12691	9.0
181.10052	5.1
183.11687	14.3
185.09608	7.8
185.13277	36.9
187.11153	14.4
187.14836	15.0
189.12752	20.1
189.16302	5.4
191.14389	9.0
193.10181	10.7
193.12218	6.1
194.10910	6.7
195.11705	14.4
197.13260	19.5
199.11139	12.4
199.14886	13.4
201.12755	17.0
201.16380	10.8
203.14291	34.4
203.17928	22.9
207.11656	7.9
209.13269	16.6
211.11171	7.2
211.14853	11.5
213.12749	14.0
213.16411	8.2
215.14310	12.8
217.12224	9.4
217.15935	6.7
219.11731	6.5
219.13680	6.1
221.15279	5.4
221.19031	11.6
223.14922	10.4
225.12711	5.8
227.14304	14.7
229.12189	14.5
229.15929	12.9
231.13795	36.8
231.17426	7.6
233.13420	7.9
233.15399	6.5
237.16353	8.0
239.14392	6.9
241.15860	49.4
243.13803	7.5
243.17363	5.6
245.15501	6.8
249.14609	7.1
253.15952	7.6
255.17386	11.6
257.15463	5.5
265.15927	13.8
267.17456	14.9
269.15457	5.7
278.64200	4.3
279.17352	7.1
281.19095	10.3
293.18503	5.2
295.20441	8.3
297.18631	7.1
307.20428	6.3
331.20560	5.5
333.22375	4.9
351.22995	6.1
361.25299	10.4
373.25116	15.2
379.26254	8.2
385.24933	6.2
387.26672	6.2
391.26236	16.5
397.25168	6.2
403.26361	23.9
405.27686	10.5
409.27441	18.3
411.56256	5.2
415.26236	18.7
421.27396	33.0
427.28394	5.8
433.27399	42.5
436.13412	4.8
439.28549	7.4
441.34314	6.3
451.22711	6.3
451.28439	76.5
469.29514	87.6
487.30505	100.0
488.31250	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	487.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42971	1.7
53.03933	2.9
55.01855	2.1
55.05512	8.7
57.03416	2.0
65.03934	3.4
67.05511	19.1
69.03436	9.9
69.07077	14.5
70.84805	4.0
70.85154	1.9
71.04985	3.1
78.95776	1.7
79.05499	17.1
81.03432	4.0
81.07062	30.2
83.08617	7.7
85.02918	4.4
88.07593	1.7
91.05493	23.4
93.07055	30.5
95.04974	8.4
95.08047	3.0
95.08619	41.8
97.02884	3.0
97.06516	6.2
99.04478	1.9
99.08094	5.4
105.07045	45.2
107.04912	3.2
107.08608	37.2
109.06501	9.6
109.10169	22.7
111.04448	2.3
111.08092	4.2
117.07023	10.4
119.07786	3.6
119.08598	57.2
121.06521	32.3
121.10162	20.4
123.08048	5.6
123.11735	8.8
125.09687	2.0
128.06245	3.1
129.06993	6.5
130.07780	1.7
131.08585	26.3
133.06505	2.9
133.10153	41.0
135.08066	26.9
135.11707	9.8
136.07578	3.6
137.09610	4.3
137.13297	3.0
141.07016	2.1
142.07780	7.2
143.08582	22.5
144.09377	3.2
145.06477	3.1
145.10144	47.1
147.08078	15.2
147.11722	26.8
148.07594	3.7
149.06006	22.1
149.09674	9.5
149.13249	6.4
151.07620	2.1
155.08604	3.8
155.74525	1.9
156.09360	7.9
157.10156	23.2
158.10878	4.2
159.08080	8.5
159.11720	32.7
161.09630	12.3
161.13264	16.0
163.03894	2.1
163.07555	3.7
163.11191	4.4
163.14828	4.5
165.09152	2.6
169.10161	7.6
170.10921	4.9
171.11720	22.9
172.08836	5.1
173.09662	8.6
173.13286	26.1
175.11208	16.6
175.14827	13.6
177.12756	8.0
177.16385	2.8
178.89923	1.8
182.10919	3.1
183.11737	12.9
185.09676	3.7
185.13322	12.8
186.10364	10.2
187.11186	8.4
187.14838	15.2
189.12747	15.5
189.16385	17.8
191.14304	3.4
195.11745	2.7
197.13290	7.3
199.11174	23.6
199.14838	26.0
201.12778	77.4
201.16386	14.0
203.10709	1.9
203.14337	21.6
203.17935	2.0
205.12283	2.1
205.15935	4.5
209.13284	2.9
211.14804	3.9
213.12715	2.8
213.16365	4.4
215.14339	13.0
215.17972	2.4
217.12447	2.9
217.15919	20.4
219.13818	17.7
219.17513	3.1
221.15387	2.4
223.14877	2.3
225.16426	5.0
227.14244	4.3
227.17934	3.3
229.15872	4.3
233.15414	6.3
235.17046	2.2
237.10260	2.6
237.16626	2.5
239.18005	3.2
241.16028	3.0
245.15392	8.1
253.19696	3.2
255.11203	2.0
259.16772	1.8
269.18954	3.8
283.20639	5.1
351.26950	2.6
383.29654	2.5
387.26447	2.2
389.23380	13.1
405.27383	6.0
405.32068	4.1
413.23230	8.7
415.26343	2.3
423.28198	3.8
423.32596	5.9
433.27670	3.4
441.34183	11.4
451.27960	12.1
460.18597	3.9
469.29227	12.2
487.30551	100.0
488.18060	6.5
488.30963	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	487.3053
Annotation	Tubelactomicin A
Peak:m/z	Relative Intensity
51.25103	0.7
53.03940	1.1
54.52376	0.6
55.01870	0.9
55.05503	3.0
57.03426	0.7
67.05505	5.6
69.03423	2.0
69.07062	3.8
70.95873	0.7
71.04983	0.6
71.58872	1.0
72.76328	0.6
79.05482	6.1
81.07058	10.7
83.04961	0.9
83.08603	2.3
85.02890	0.9
86.09696	2.6
86.89046	0.8
91.05490	8.5
93.07051	11.5
95.04952	1.6
95.08612	16.9
95.09203	0.6
97.06555	1.4
103.05487	1.1
105.07034	20.4
106.07311	0.9
107.04928	1.3
107.07863	1.3
107.08594	17.2
109.06503	3.2
109.10146	7.2
111.08050	2.2
112.32464	0.7
113.05975	1.0
115.05420	1.0
117.07023	4.3
119.04953	1.0
119.08586	25.4
121.06503	6.6
121.10153	8.5
123.08101	3.6
123.11745	1.0
125.05956	0.9
128.06219	1.8
129.06953	3.5
130.07808	1.0
131.08571	16.0
133.06458	2.0
133.10135	20.8
135.08072	8.8
135.11700	4.0
137.05968	1.1
137.09604	3.6
139.07535	0.8
140.66478	0.8
141.06984	1.0
142.07793	2.6
143.08560	10.1
144.09343	1.1
145.06506	4.2
145.10129	20.5
146.07257	0.8
146.09387	0.8
147.08047	28.8
147.11676	8.7
149.09589	3.3
149.13269	1.5
151.07507	0.9
151.11157	1.3
155.08574	3.9
156.09343	3.6
157.06538	0.9
157.10124	10.5
158.07260	2.0
158.10893	2.6
159.08067	16.6
159.11697	13.1
160.08690	1.8
161.09624	16.1
161.13264	7.2
163.03925	2.4
163.11185	2.5
163.14818	1.9
167.08553	1.2
169.10101	3.1
170.10872	1.7
171.08070	4.5
171.11702	10.4
172.08838	6.9
172.46642	0.8
173.09641	15.2
173.13271	15.3
174.10381	1.3
175.11154	4.0
175.14801	4.9
177.12769	1.4
181.08582	2.4
183.11661	5.9
184.08871	1.3
184.12468	0.9
185.09644	4.0
185.13281	5.4
186.10400	14.8
187.11203	12.4
187.14822	9.8
189.12766	7.6
189.16399	6.8
191.10695	1.9
191.14281	4.4
197.09619	1.8
197.13255	4.1
198.10417	1.6
199.11189	30.4
199.14839	10.3
200.11826	1.3
201.12750	100.0
201.16367	5.6
202.13159	1.3
203.14319	31.4
205.12250	0.8
207.13704	1.6
209.13307	1.2
211.11203	1.2
211.14886	1.5
213.12756	4.8
213.16376	1.5
215.10770	2.2
215.14330	27.9
217.12416	1.4
217.15881	19.5
219.17490	2.0
221.15320	1.3
225.12773	1.7
227.14238	4.5
229.15910	2.5
233.15446	1.2
235.13229	1.0
237.12761	0.8
241.15875	1.0
243.13795	2.4
243.17511	2.2
245.15338	3.7
247.16936	0.9
250.71219	0.9
251.14241	1.7
255.17484	1.7
263.16449	2.8
269.18936	1.2
317.69708	0.7
387.26947	0.9
403.26575	1.3
405.27658	4.5
407.29337	0.9
415.26364	1.5
433.27206	6.2
451.28375	9.2
469.29489	33.7
470.29761	0.8
487.30524	53.8
488.30765	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	487.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.21524	1.7
57.03436	3.6
63.49912	1.8
69.03436	14.8
69.43815	12.1
70.06593	3.0
71.05003	5.1
77.73099	1.8
79.04908	1.6
81.03431	15.3
83.90514	1.6
85.02906	2.3
86.09706	3.8
91.05476	1.9
99.04461	4.6
118.06532	2.5
123.96200	1.7
137.30591	1.8
145.07632	4.6
147.09193	7.6
163.03941	6.6
173.07079	8.7
175.08633	8.8
184.07523	2.2
191.08179	100.0
205.16124	2.2
255.08572	1.7
286.25610	1.9
307.12894	27.5
325.13950	79.3
446.72391	2.3
487.21198	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	487.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.2
55.01864	7.8
55.05523	28.6
57.03439	9.7
57.07059	8.1
59.14520	4.1
65.03959	6.2
65.11039	4.0
67.05183	4.3
67.05508	26.0
69.03428	16.7
69.07077	36.6
70.06606	20.0
70.99246	5.6
70.99586	6.6
71.05004	8.2
78.53304	3.7
79.05511	31.0
81.03432	10.6
81.07063	78.4
83.04996	6.3
83.08626	23.8
84.41102	4.5
85.02912	23.9
87.00841	11.7
91.05491	38.7
93.07061	69.7
95.04982	6.8
95.08620	66.7
97.02885	11.2
97.06531	12.7
97.10196	6.9
99.04491	5.6
99.08088	4.1
100.02187	6.7
103.05491	4.1
105.01867	7.3
105.04545	3.8
105.07039	71.8
106.25874	4.5
107.04937	6.0
107.08606	79.4
109.02868	9.7
109.06514	13.7
109.10175	43.2
111.08103	11.6
115.05490	4.6
117.07010	11.7
119.08598	100.0
121.02866	6.7
121.10149	54.0
123.08077	8.9
123.11716	29.8
125.09637	6.0
127.03928	14.5
129.07008	13.0
130.06546	58.6
131.08580	54.9
133.06490	6.6
133.10139	72.9
135.08044	9.8
135.11725	43.4
137.09648	8.0
137.13295	7.3
141.07019	4.1
143.08560	18.1
145.02917	4.4
145.10143	72.0
146.06067	6.6
147.04506	4.7
147.08031	9.3
147.11699	48.6
149.09642	11.1
149.13266	24.1
151.11226	6.9
157.10138	31.2
158.10912	7.2
159.08072	7.4
159.11696	45.4
161.09630	11.7
161.13235	37.6
163.03941	12.0
163.11218	13.1
163.14810	18.3
165.12857	5.2
169.10075	8.1
170.10875	5.1
171.11723	20.4
173.13313	43.7
175.11211	7.9
175.14873	40.9
177.12802	8.6
177.16402	17.8
183.11700	11.8
185.13313	35.4
187.11282	7.6
187.14828	52.9
188.07187	5.8
189.12860	6.2
189.16371	29.6
191.10658	4.1
191.14325	21.9
191.17935	9.7
192.06514	6.4
193.12331	4.8
193.15851	6.6
194.04501	9.0
195.11703	5.5
197.13226	9.7
199.14778	29.0
201.12767	14.8
201.16417	61.8
203.14388	25.5
203.18036	28.3
205.15904	29.3
205.19516	5.8
207.17436	4.6
207.92104	4.2
209.13414	6.1
211.14899	5.9
213.16437	20.3
215.14279	9.7
215.17998	10.4
217.15891	18.2
219.17474	14.3
221.15439	21.1
221.19019	11.4
227.17961	9.0
229.16068	6.8
231.13951	4.7
233.11580	5.2
235.16960	5.2
241.19398	4.7
245.15541	6.2
247.16994	9.1
264.05194	5.0
267.21194	4.6
279.06003	4.4
312.08731	10.0
336.90640	4.2
358.09204	5.5
378.86337	3.9
405.31717	28.2
407.33112	4.6
423.32535	30.1
425.33978	4.1
433.31039	9.5
441.33591	10.4
451.32043	15.6
454.85706	4.2
464.17587	4.1
469.33038	17.1
487.29816	7.6
487.34457	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	485.3267
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05515	11.6
57.07079	5.4
60.83188	2.3
63.73187	2.0
65.47204	2.3
67.05512	11.3
69.03435	3.1
69.07073	18.0
69.42453	14.2
73.99889	2.1
75.89432	2.0
79.05508	10.7
81.07071	32.4
82.06086	2.4
83.04980	2.7
83.08615	11.1
85.06570	2.6
91.05479	21.7
93.07059	35.3
95.04964	6.6
95.08617	34.6
97.06533	6.9
97.10221	2.5
103.05448	2.2
105.07050	43.8
107.08612	55.9
109.06538	3.7
109.10176	19.6
111.24998	2.2
115.05441	2.4
115.07606	5.6
117.07054	12.1
117.62870	2.1
119.08592	53.6
121.06513	4.3
121.10164	51.7
123.08077	7.4
123.11737	10.3
128.06194	4.2
129.07030	7.0
130.07794	2.7
131.08578	32.4
133.10141	30.5
135.08083	5.0
135.11714	14.8
137.09637	4.4
142.07799	7.1
143.08562	14.6
144.09306	3.9
145.10144	51.6
147.04405	2.8
147.11729	21.8
148.84071	2.2
149.09599	5.0
149.13254	9.9
155.08601	10.9
156.09377	6.3
157.10156	28.8
158.10889	4.4
159.11713	41.3
161.09604	5.8
161.13283	17.3
163.10005	3.3
163.11223	29.5
163.14844	7.9
165.12827	3.0
167.08620	3.2
169.10168	11.4
170.10948	6.9
171.11710	23.4
172.12479	2.5
173.09651	3.0
173.13280	29.3
175.11302	5.3
175.14835	28.3
177.05443	2.9
177.12718	6.5
177.16399	34.3
181.10191	3.4
182.10936	5.0
183.11758	12.0
185.13313	27.3
187.11171	5.2
187.14844	44.7
189.12750	6.5
189.16397	34.0
191.14204	4.3
191.17986	7.4
195.11801	3.7
197.13266	14.7
199.11163	3.7
199.14833	30.0
201.12773	11.5
201.16443	15.6
203.14371	10.1
205.15900	100.0
206.16368	2.3
207.17474	9.4
209.13124	2.6
211.14900	4.9
213.16444	6.1
215.14333	29.5
215.17926	5.8
217.12328	3.4
217.15919	8.6
219.13811	2.5
219.17522	4.8
221.15431	6.6
225.16393	2.9
227.17915	2.5
229.15891	4.3
231.13887	3.7
233.15359	14.3
243.13873	6.8
247.13135	2.4
251.18147	2.6
253.14366	5.2
261.14825	13.1
269.19089	3.0
279.15894	2.8
379.29865	3.2
393.31494	3.2
403.29990	14.2
409.30878	5.3
421.31076	46.1
431.29379	4.7
437.30661	4.1
439.32272	23.9
442.60559	2.3
449.30551	15.4
455.31729	5.0
467.31705	24.3
485.33072	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	485.3266
Annotation	Fupenzic acid
Peak:m/z	Relative Intensity
50.34604	3.3
53.02402	3.6
53.03947	5.7
55.05518	10.8
57.07064	4.1
62.29755	3.4
67.05503	10.4
69.03432	5.4
69.07059	16.2
69.57497	27.3
78.14400	3.2
78.24550	3.3
79.05524	18.2
81.07061	34.6
83.08646	4.6
91.05482	29.2
93.07054	37.4
95.04962	8.1
95.08609	36.9
96.96091	3.4
97.06531	7.4
97.10168	6.2
105.06381	5.5
105.07047	63.7
107.08615	50.6
109.06502	11.5
109.10181	25.3
115.13426	3.8
117.07037	12.6
119.07783	7.4
119.08595	100.0
121.06503	14.0
121.10174	39.1
123.08104	5.2
128.06223	7.6
129.07022	9.6
131.08592	40.6
133.10143	47.0
135.08040	5.8
135.11687	8.1
137.09622	7.6
142.07761	5.8
143.08577	24.3
145.10133	61.7
146.63907	4.1
147.11713	33.5
149.09616	10.8
149.13266	11.9
151.11156	4.7
155.08540	9.4
156.09358	10.1
157.10130	38.3
158.10870	5.8
159.08159	5.5
159.11703	52.4
161.09651	7.3
161.13268	24.4
163.05730	4.2
163.14835	9.0
169.10182	12.1
170.10904	8.1
171.11685	17.3
173.13306	34.5
175.11192	8.5
175.14897	24.0
177.12773	9.8
177.16385	7.1
181.10068	5.3
183.11710	18.7
184.12624	4.4
185.13266	27.2
187.14809	37.5
188.01509	3.5
189.12694	7.8
189.16415	17.5
191.14340	16.1
193.12274	4.5
195.11763	6.9
197.13304	16.4
199.14833	48.7
201.12778	7.6
201.16418	47.2
203.14360	13.2
203.17938	10.7
205.15918	5.4
207.13690	4.7
209.13214	4.0
211.14815	14.5
213.16418	20.9
215.14369	7.4
215.17982	16.8
217.15910	12.1
219.13855	4.4
221.15369	12.5
223.14842	7.6
225.16365	9.2
227.17947	14.2
233.15419	6.4
235.16974	4.9
239.18130	10.1
241.19498	11.6
245.15375	16.4
247.14752	3.9
247.16975	7.4
251.18042	5.6
253.19543	14.7
255.21120	12.1
259.16953	10.2
259.84998	4.3
259.87714	4.0
265.19620	4.8
267.21078	12.5
287.20056	9.4
299.20020	15.4
313.21548	5.5
391.30142	4.7
403.29935	15.2
421.31067	43.0
423.32495	8.4
431.29504	7.2
437.30557	6.4
439.32071	26.7
441.33746	9.1
449.30713	24.3
467.31573	20.5
475.06052	3.8
485.32672	30.1
504.07642	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	485.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.4
55.11606	2.5
55.34603	3.1
55.56920	3.2
58.40175	3.1
67.05515	16.5
69.03430	4.0
69.07068	10.9
71.22663	4.4
79.05495	17.5
81.07069	35.5
83.04969	7.2
83.08616	8.2
83.09219	2.6
91.05486	24.5
93.07056	38.8
95.04995	4.6
95.08622	48.4
97.06551	7.8
97.10190	3.3
105.07035	55.2
107.08601	52.6
109.01019	3.2
109.06506	3.7
109.10150	26.8
111.08061	3.7
117.07038	12.2
119.08588	97.9
121.06507	8.2
121.10151	40.8
123.08055	3.8
123.11715	7.0
125.09572	2.9
128.06203	4.5
129.06996	4.2
130.07759	3.9
131.08563	39.0
133.10139	57.9
135.08043	6.5
135.11693	21.8
137.09598	4.6
142.07800	8.4
143.08578	27.6
144.09416	7.3
145.10129	83.2
147.08029	5.6
147.11705	59.5
149.09575	4.9
149.13278	17.1
155.08585	5.6
156.09381	12.5
157.10150	38.0
158.10881	4.4
159.11711	61.3
161.09631	7.3
161.13272	23.7
163.07497	3.6
163.11179	13.1
163.14838	12.9
169.10127	9.8
170.10919	11.4
171.11710	31.2
172.12292	3.7
173.13277	49.2
175.11165	8.7
175.14847	27.7
177.12776	6.1
177.16370	29.2
181.10143	4.3
182.10887	4.9
183.11723	23.0
184.12515	3.8
185.13254	35.1
187.11176	3.6
187.14842	100.0
189.16374	29.4
191.14333	21.4
191.17924	3.3
197.13306	22.9
199.14836	39.6
201.12837	6.5
201.16393	42.4
203.14340	10.9
203.18082	5.8
205.15872	72.5
207.17514	4.7
209.13126	4.5
211.14838	6.2
213.16391	9.1
215.14355	37.5
215.17961	7.0
217.15837	7.0
219.17368	4.6
221.15244	5.5
223.14821	5.4
227.17857	6.1
229.16075	3.8
233.15422	17.3
233.19063	5.0
235.16930	3.3
239.17975	4.7
249.14879	3.2
251.17979	3.4
268.95139	3.5
279.16016	16.1
391.30017	3.6
400.96439	3.1
403.29996	9.0
409.31192	6.7
421.31088	19.8
431.29483	4.1
437.30197	8.0
439.32245	18.0
449.30475	10.2
467.31561	12.3
485.32770	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23983	2.4
55.05515	12.2
57.07071	4.4
61.99659	2.2
65.03951	2.4
65.86636	2.3
67.05501	16.7
69.03405	5.0
69.07064	10.3
69.62081	19.0
73.16663	2.8
79.05505	14.7
81.03410	6.1
81.07063	30.4
83.04994	4.0
83.08623	5.8
85.02886	2.8
85.06517	2.8
91.05493	18.5
93.07048	38.7
95.04994	5.6
95.08615	48.2
97.02869	3.4
97.06537	11.9
97.69193	2.3
99.52690	2.5
103.05461	2.7
105.06371	4.8
105.07038	62.5
107.08606	56.9
109.02869	3.8
109.06516	10.0
109.10158	21.1
111.08089	4.3
117.07018	10.6
119.08589	100.0
120.08871	3.1
121.06499	5.2
121.10166	37.5
123.08088	11.7
123.11707	5.1
128.06213	5.4
129.06992	6.9
130.07809	3.4
131.08588	48.3
133.06476	2.7
133.10144	50.2
135.08034	8.2
135.11728	16.7
137.09625	6.0
137.13271	4.6
141.30586	2.2
142.07779	7.8
143.08540	20.1
144.09352	7.5
145.09039	4.7
145.10133	80.0
146.12447	2.6
147.08058	4.0
147.11700	26.3
149.09631	6.9
149.13231	15.2
151.07520	4.0
155.08566	7.0
156.09323	8.4
157.10141	41.8
158.10950	3.9
159.11700	56.8
161.09624	8.4
161.13260	21.5
163.07568	7.8
163.11192	6.5
163.14812	9.0
169.10121	8.8
170.10855	8.5
171.11699	27.6
173.13280	60.0
175.11145	7.2
175.13512	2.8
175.14870	30.8
177.12781	6.7
177.16434	5.2
181.10074	3.8
182.10818	3.4
183.11652	14.5
184.12387	4.1
185.13239	29.5
187.14828	52.6
189.12793	5.0
189.16383	16.9
191.14345	33.5
195.11763	3.8
197.13297	12.4
199.11194	9.0
199.14825	55.9
201.12704	5.2
201.16370	36.0
203.14325	21.6
203.17964	9.2
205.15836	15.3
209.13287	4.5
211.14856	7.3
213.16391	17.0
215.14343	6.7
215.17928	7.4
217.12242	2.9
217.15916	17.6
219.13786	3.6
219.17479	2.8
221.15388	29.3
223.14815	3.6
223.16931	3.8
225.16399	3.7
227.14212	3.0
227.17986	4.9
229.15999	5.0
231.13705	3.6
233.15392	7.1
235.16972	9.1
237.14796	4.6
239.16290	5.1
245.15393	11.1
253.19479	4.9
257.15396	3.0
258.16141	2.7
259.16946	5.4
267.21030	3.2
318.62775	2.5
331.41092	2.9
385.28662	3.0
403.29742	10.9
405.31467	5.3
421.31189	22.1
423.32620	5.5
437.30563	3.3
439.31967	9.5
449.30566	9.1
467.31879	22.8
485.20151	3.8
485.27811	3.6
485.32715	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	485.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01857	4.8
55.05519	11.6
67.05509	19.8
69.03429	13.8
69.07080	12.1
69.59084	26.0
70.06596	5.3
74.27287	4.0
79.05495	16.6
81.03425	6.6
81.07063	36.1
83.04987	12.5
83.08637	4.3
85.02911	13.5
87.00826	5.5
91.05495	27.1
93.07056	36.8
95.05016	7.9
95.08606	51.7
97.02894	4.7
97.06547	6.5
98.21564	4.0
98.61694	4.0
105.07035	65.6
107.08601	54.9
109.06530	11.5
109.10179	20.0
111.04442	5.8
111.08117	5.0
117.07059	12.5
119.08594	100.0
121.06493	9.9
121.10158	35.4
123.08080	9.6
123.11687	7.7
125.09639	5.0
127.03928	10.7
129.07024	9.7
131.04970	5.4
131.08574	48.8
133.06570	4.4
133.10136	45.9
135.08046	7.9
135.11725	16.3
137.09668	7.4
142.07829	5.7
143.08585	26.4
144.09407	5.7
145.10133	82.8
147.04536	6.2
147.08049	5.4
147.11711	37.8
149.09644	4.5
149.13300	16.9
151.07614	5.1
155.08568	11.5
156.09370	8.5
157.10159	37.8
158.10898	6.4
159.11729	57.8
161.09663	5.4
161.13260	23.5
163.11232	7.6
163.14841	12.7
169.10153	9.3
170.10925	10.8
171.11734	27.9
173.13272	50.4
175.11205	4.7
175.14835	39.3
177.16461	10.7
181.10110	6.2
182.11066	4.3
183.11714	16.2
185.13312	30.2
187.14824	55.6
189.12634	5.1
189.16438	11.2
191.14325	26.5
195.11749	5.5
197.13257	13.2
199.11209	5.1
199.14842	62.8
201.12712	7.2
201.16396	48.1
203.14388	25.2
203.18056	5.0
205.15904	23.5
209.13289	4.4
211.14821	4.2
213.16432	16.7
215.14296	5.2
217.12410	4.4
217.15912	11.4
219.17444	5.1
221.15324	24.8
229.16039	4.6
231.17583	4.9
233.15395	7.9
245.15402	12.4
247.17004	4.8
253.19835	4.4
257.19070	4.3
286.18665	4.1
325.05457	3.9
357.43314	3.8
391.29965	4.0
403.29910	10.4
405.31573	6.9
421.30951	15.3
431.29630	8.5
437.31525	5.1
439.32095	8.3
449.30859	21.3
467.31601	12.7
485.20239	12.4
485.32486	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	485.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
53.13810	2.0
55.05500	9.7
57.07080	2.6
61.92802	2.3
67.05504	12.0
69.03423	6.1
69.07090	10.9
70.06581	3.1
71.04986	2.2
71.39197	4.4
71.39536	2.8
75.32274	2.1
79.05495	15.9
81.03410	5.9
81.07066	27.0
83.08623	7.9
91.05482	22.9
93.07040	28.8
95.04980	7.3
95.08609	43.4
97.02840	2.8
97.06519	8.1
99.04472	3.7
105.07031	61.2
106.25314	2.2
107.08601	42.7
109.02906	3.1
109.06518	10.4
109.10170	21.2
111.08080	5.5
116.08936	2.1
117.07023	9.5
119.08585	100.0
121.06499	6.4
121.10149	33.7
123.08060	8.4
123.11735	3.0
125.06063	2.4
125.09626	2.6
127.03902	10.5
129.06979	5.2
130.07777	3.7
131.08575	43.6
131.09515	3.8
133.10129	41.0
135.04376	2.3
135.08058	9.5
135.11684	11.7
137.09604	4.1
142.07802	7.3
143.08572	23.9
145.10132	71.0
145.60565	2.3
147.08076	2.7
147.11690	28.1
149.09634	6.6
149.13275	18.3
151.11194	3.4
153.09171	2.9
155.08597	2.8
156.09325	8.0
157.10132	42.6
158.10867	3.4
159.11703	52.7
161.09628	8.9
161.13255	17.0
163.03949	2.5
163.07487	4.3
163.11197	8.3
163.14850	15.0
169.10120	7.7
170.10880	6.6
171.11662	23.3
173.13263	49.3
175.11208	7.0
175.14821	26.9
177.09184	2.6
177.12767	6.0
177.16441	5.1
183.11670	13.9
184.12444	4.3
185.13281	21.8
187.14828	56.2
189.12828	3.6
189.16408	17.1
191.14305	27.2
193.15907	2.7
195.11708	2.8
197.13298	6.4
199.14824	54.9
201.12830	2.6
201.16359	39.6
203.14325	26.8
203.17924	6.3
205.15884	8.4
211.14824	6.2
213.16360	15.5
215.14339	5.5
215.17957	6.5
217.15808	11.3
219.17506	4.0
221.13324	3.9
221.15363	31.4
227.17955	5.9
229.15800	5.6
231.04854	2.8
231.17384	5.2
233.15376	7.5
235.16920	7.0
237.77646	2.2
239.14180	2.4
239.16438	6.2
245.15431	10.4
247.17014	4.3
253.19606	3.5
258.16330	3.6
267.20963	3.3
299.19855	2.7
304.08231	2.3
365.28369	3.2
403.29980	9.9
405.31332	2.5
421.31085	21.6
423.32617	7.1
431.29401	4.9
437.30624	3.6
439.31967	4.6
441.33624	4.6
449.30432	9.3
467.31570	20.8
485.33060	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	485.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31041	4.9
55.05516	13.9
67.05512	18.2
69.03448	7.2
69.07078	17.4
69.46794	26.8
70.98662	4.9
71.05003	6.7
75.31522	4.2
79.05509	23.0
81.03451	6.2
81.07067	37.0
83.04993	7.0
83.08620	5.5
85.02913	11.4
88.67087	4.2
89.25980	4.2
91.05497	36.2
93.07040	44.0
95.04980	7.5
95.08619	56.2
97.06524	4.8
98.21509	8.1
99.04488	5.0
105.01890	7.9
105.07045	74.7
107.08615	69.3
109.10181	20.3
111.04442	8.0
111.08111	6.2
114.35818	4.0
117.07037	14.5
119.08599	100.0
121.06523	9.5
121.10163	49.7
123.08088	6.8
123.11723	13.9
125.09646	10.9
127.03960	13.2
128.06276	5.8
129.07039	11.9
130.07738	5.4
131.08592	57.1
133.10149	43.9
135.08133	7.0
135.11716	14.4
137.09665	5.4
142.07814	11.9
143.08600	33.0
144.09402	4.6
145.10136	82.3
147.08084	5.2
147.11679	37.8
149.09683	13.0
149.13316	18.6
155.08536	8.0
157.10181	44.2
158.10980	5.5
159.11716	58.5
161.09662	5.9
161.13260	21.4
163.11229	6.5
163.14851	13.8
169.10146	14.2
170.10983	6.8
171.11732	23.5
173.13295	62.5
175.14842	38.5
177.16418	17.7
178.65742	4.2
183.11751	20.9
184.12573	7.4
185.13309	27.0
187.14830	51.8
189.12814	5.4
189.16394	16.0
191.14374	24.5
195.11745	6.3
197.13303	17.3
199.14864	43.1
201.12798	23.4
201.16437	37.2
203.14334	21.0
205.15907	15.9
207.17400	5.5
211.14944	7.1
213.12852	5.1
213.16423	14.1
215.14403	8.4
217.15927	13.3
221.15419	20.7
229.15996	6.7
233.15425	11.6
245.15445	8.4
247.13315	10.1
342.03064	4.7
367.26672	5.4
403.29907	15.5
421.31125	19.1
431.29483	8.7
439.32092	14.7
449.30521	24.6
467.32022	20.9
485.32690	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	485.3263
Annotation	Fupenzic acid
Peak:m/z	Relative Intensity
52.14820	5.5
55.05511	14.3
60.32917	5.9
65.83958	4.5
67.05502	18.5
69.07079	17.8
70.01549	5.1
70.10933	13.6
70.11338	13.5
72.31789	5.9
79.05502	15.6
81.05733	4.7
81.07057	37.4
82.69354	4.6
83.08623	6.7
91.05485	24.9
93.07054	45.2
95.04980	6.3
95.08620	39.6
97.06538	5.3
105.07045	64.2
107.08600	51.4
107.44711	4.6
109.06542	10.4
109.10175	21.6
110.74005	5.0
115.05495	4.6
117.06986	13.5
119.08584	100.0
121.06613	7.8
121.10184	30.8
123.08044	8.7
123.11716	5.7
128.06300	6.4
129.07037	7.6
131.08563	39.7
133.10139	45.4
135.08090	12.2
135.11714	15.0
137.09651	6.1
142.07730	7.3
143.08565	30.7
145.10115	66.8
147.08055	6.0
147.11705	44.3
149.09683	9.7
149.13293	7.0
155.08580	8.8
156.09358	7.2
157.10141	45.4
159.11710	58.5
161.09650	15.8
161.13307	24.6
163.11227	8.4
163.14851	7.0
169.10162	18.0
170.10947	8.2
171.11725	35.6
173.13231	44.0
175.14851	28.2
177.16321	9.6
183.11691	24.3
185.13263	19.3
187.14885	30.8
189.12688	5.7
189.16364	13.8
191.14348	17.4
195.11803	7.3
197.13290	19.8
199.14812	45.8
201.16388	49.5
203.14339	20.4
203.18074	8.3
205.15900	8.9
207.13905	6.7
209.13306	8.7
211.14899	19.0
212.32101	5.8
213.16434	18.4
215.14505	8.2
215.17984	19.3
217.15958	10.3
219.13797	6.2
221.15402	17.8
223.14902	5.8
225.16452	7.5
227.17990	12.1
229.64337	5.8
233.15390	6.4
235.16982	9.0
239.16223	9.6
241.19594	17.1
245.15431	24.5
247.16943	14.0
253.19576	24.9
255.20906	6.1
259.16983	15.4
267.21133	15.7
273.18527	8.9
287.20126	8.6
299.20209	13.4
385.29144	5.6
403.30084	27.7
419.29550	10.4
421.31085	55.9
423.32742	10.6
437.30447	12.5
439.32114	38.8
441.33832	10.8
449.30807	29.1
467.31808	37.8
485.32828	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	485.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.05497	10.0
56.11470	2.9
57.07069	3.4
67.05507	16.4
69.03418	8.5
69.07069	15.6
71.04993	5.5
71.14657	7.0
79.05493	16.6
81.03409	6.2
81.07057	37.1
83.04974	10.0
83.08621	8.7
85.02885	12.3
86.05406	2.7
91.05486	28.8
93.07055	35.6
95.04956	8.4
95.08620	49.1
97.02906	4.2
97.06525	5.4
97.10168	3.6
99.04467	2.8
101.05962	3.9
105.07038	62.7
107.07961	4.2
107.08603	56.7
107.72055	3.2
109.02889	5.4
109.06541	14.9
109.10158	34.6
111.04456	8.2
111.08082	5.1
117.07039	14.6
119.08586	100.0
119.48649	2.6
121.06493	8.3
121.10152	39.5
123.08071	10.9
123.11697	8.9
125.09606	5.7
127.03909	7.1
128.06226	4.0
129.07010	10.4
130.07732	5.6
131.08572	52.6
133.10141	63.5
133.11099	6.3
135.08026	10.7
135.11703	19.3
137.09618	8.4
142.07788	8.0
143.08586	31.4
144.09325	6.8
145.10126	86.5
147.08047	11.1
147.11690	39.7
149.09570	4.4
149.13220	9.6
151.11200	6.0
155.08534	6.3
156.09364	6.6
157.10118	41.8
158.10884	6.3
159.08147	4.4
159.11703	58.8
161.09625	8.3
161.13272	27.9
163.07588	6.6
163.11180	5.5
163.14799	12.8
168.09468	3.3
169.10118	8.4
170.10973	5.6
171.11716	27.0
173.09615	4.3
173.13271	47.6
175.11183	8.3
175.14839	44.3
177.12724	4.0
177.16367	11.6
181.10034	3.3
183.11702	15.3
184.12447	6.5
185.09689	3.3
185.13269	35.1
187.11121	6.2
187.14825	45.6
189.12752	6.7
189.16367	12.0
191.10765	3.4
191.14331	30.6
195.11729	4.4
196.12492	3.4
197.13229	11.7
199.11201	7.6
199.14848	51.5
201.12695	14.0
201.16422	42.0
203.14351	31.8
203.17822	5.5
205.15909	22.1
209.13287	4.8
211.14922	8.2
213.16389	11.7
215.14383	15.8
215.17842	6.5
217.12349	4.8
217.15933	14.4
219.17476	10.4
221.15349	22.9
225.16310	7.3
227.17955	4.7
229.15955	5.3
231.13768	4.1
231.17462	4.7
233.15489	6.3
235.16956	4.8
237.18552	8.1
241.19353	3.1
243.17535	3.6
245.15320	14.9
245.19063	3.6
247.17070	5.4
253.19583	6.2
259.16959	4.2
265.87177	3.4
269.18985	4.1
315.19577	3.9
391.26163	3.7
403.29932	13.7
405.31317	11.4
421.31155	20.7
431.29443	9.0
439.32108	13.3
441.33484	3.7
443.27960	7.1
449.30685	14.4
467.31537	16.5
485.13675	5.7
485.33560	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	485.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03807	5.3
53.03936	5.4
54.49395	4.4
55.05502	16.8
56.07520	4.0
59.98279	5.1
62.28934	4.2
65.03936	5.0
67.05499	17.2
69.03423	11.2
69.07053	13.9
69.71709	17.2
69.72118	6.4
70.06586	23.7
71.04994	8.8
73.76173	4.1
79.05509	21.3
81.03412	7.0
81.07059	47.8
83.04982	6.9
83.08614	12.6
84.08153	5.6
85.02895	8.0
86.09722	9.6
91.05478	42.0
91.28730	4.1
93.07053	51.3
95.04972	10.7
95.08051	5.2
95.08610	59.2
97.02878	9.8
97.06520	13.0
99.08076	4.9
100.11261	15.7
101.11600	4.7
105.07042	90.7
107.08601	60.3
109.06514	9.5
109.10159	32.6
111.04391	7.4
111.08086	11.8
112.07615	6.9
117.07023	13.6
118.94962	4.7
119.08595	100.0
120.08942	4.5
121.06517	11.0
121.10137	40.3
123.08031	11.6
123.11700	8.7
125.09620	6.5
127.03911	10.8
129.06996	10.3
130.07779	5.8
130.27083	3.8
131.08577	49.6
133.10141	71.0
135.08067	13.9
135.11719	24.7
137.09668	10.2
142.07758	7.5
143.08556	28.2
144.09259	5.2
145.02818	6.4
145.10129	81.5
147.08028	4.9
147.11705	34.5
149.09634	8.9
149.13260	14.9
151.11230	4.8
155.08540	7.3
156.09291	8.0
157.10133	45.1
159.08113	6.8
159.11714	70.2
161.09621	13.1
161.13278	31.1
163.11177	11.2
163.14833	21.0
169.10074	10.7
170.10873	9.2
171.11674	20.9
173.13281	65.1
175.11107	6.0
175.14870	43.0
176.15129	7.1
177.05502	9.8
177.12694	6.7
177.16338	6.0
181.21472	4.5
182.15454	9.0
183.11688	19.2
185.13255	42.7
187.14827	56.0
189.12712	5.7
189.16412	15.9
191.14328	44.5
193.12286	9.0
193.15851	9.7
197.13260	9.2
199.14830	57.9
201.16373	44.5
203.14320	27.7
203.17967	7.0
205.15913	17.4
210.14891	7.9
211.14847	15.4
213.16383	10.2
215.14336	5.9
215.17892	9.1
217.15907	20.2
219.13786	6.0
219.17433	15.6
221.15291	31.8
223.14929	6.6
225.16330	4.9
227.14322	5.7
227.17979	9.1
229.15962	9.7
231.17471	9.9
233.15320	9.1
235.16879	5.1
237.14453	6.6
245.15346	12.0
246.15002	10.9
246.65025	10.8
263.16446	5.6
314.96472	4.5
391.30032	10.1
403.29752	11.7
409.31198	6.1
421.30930	26.4
423.32578	8.0
436.33759	5.6
437.30417	6.1
439.32193	27.4
449.30768	22.1
454.34747	21.2
467.31683	26.0
472.03485	5.4
485.32953	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	485.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09961	4.3
53.03939	11.4
55.01860	6.6
55.02888	3.9
55.05507	18.9
57.03429	4.6
61.02928	6.6
65.03933	5.9
67.05506	30.0
68.99793	6.7
69.03438	38.4
69.07062	22.6
70.06596	8.3
71.05008	30.2
71.13636	8.0
78.57666	3.7
79.05511	28.7
81.03418	55.9
81.07066	72.4
83.04983	17.9
83.08609	10.3
85.02907	58.9
87.00819	18.0
90.94545	4.1
91.05479	40.3
93.07058	56.7
95.04959	15.1
95.08610	58.2
97.02891	26.8
97.06538	15.3
99.04456	13.3
99.08108	31.2
105.01868	11.5
105.07038	99.6
106.70045	4.9
107.04957	7.9
107.08604	73.7
109.02892	47.5
109.06515	13.2
109.10168	36.8
111.04459	7.3
111.08099	8.4
116.04983	5.0
117.07011	16.3
119.04906	4.9
119.07776	8.2
119.08580	86.9
121.06506	15.3
121.10155	55.8
123.08074	9.6
123.11704	23.3
125.09649	20.4
126.09160	15.5
127.03935	63.9
127.07532	12.0
127.11208	12.5
129.01848	5.7
129.07022	10.3
130.07816	5.5
131.08574	64.3
133.09094	6.0
133.10138	100.0
135.04416	9.5
135.08105	10.6
135.11702	24.8
137.05936	4.7
137.09598	14.1
139.07521	6.0
142.07799	8.7
143.08539	20.4
143.10716	6.5
145.04971	5.5
145.10143	85.6
147.04451	5.1
147.08023	9.0
147.11691	48.0
149.09630	12.4
149.13257	9.3
151.11215	6.9
153.12782	6.3
155.03423	4.9
155.08606	8.2
156.09393	6.1
157.10120	35.1
158.10828	4.8
159.03023	4.9
159.08080	6.8
159.11707	68.5
161.09630	11.9
161.13292	26.2
163.03938	23.0
163.11246	6.9
163.14798	7.4
167.10649	7.9
169.10114	8.6
171.11678	27.0
173.04443	8.3
173.13264	54.5
175.11221	13.0
175.14853	25.6
177.05554	4.0
177.12770	8.3
177.16266	6.8
183.11647	17.1
185.09676	5.5
185.13252	32.2
187.14859	62.0
189.12836	6.7
189.16391	9.8
191.14279	25.6
191.18042	7.4
193.15857	7.9
197.13271	9.3
199.14853	40.0
201.12785	7.2
201.16426	50.6
203.14322	18.0
203.17999	10.0
205.15944	20.5
211.14859	8.1
213.16403	13.1
215.14429	6.0
215.17969	6.6
217.12309	11.1
217.15868	27.6
219.13818	5.7
219.17410	33.2
221.15358	22.0
229.15959	5.8
231.05023	5.0
237.18526	28.2
245.15437	11.8
259.04526	4.7
263.16388	8.6
285.18460	5.4
288.12302	5.0
391.30157	4.7
399.08673	4.1
403.30185	8.1
405.31577	5.4
409.31183	6.9
421.31232	19.0
437.30316	6.0
439.32272	22.6
449.30890	19.2
467.31665	21.6
485.10281	4.9
485.27847	9.0
485.32724	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	485.3263
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
53.03946	2.1
55.05511	7.5
57.07077	2.7
61.72984	2.1
63.01131	2.1
67.05506	12.6
69.03450	2.7
69.07072	7.4
71.05042	2.1
71.18417	5.6
79.05486	9.5
81.07066	22.5
83.04969	2.9
83.08617	3.9
91.05464	14.6
93.07065	20.3
95.04976	3.3
95.08614	29.9
97.06558	3.4
99.90437	2.1
105.06369	4.1
105.07034	35.1
107.08604	34.3
109.06523	9.6
109.10175	15.1
109.91682	2.0
111.08099	3.0
113.06023	5.8
117.07043	5.8
117.49775	1.9
119.08588	54.6
121.06538	8.7
121.10152	23.8
123.08079	7.9
123.11738	4.5
129.07013	3.8
131.08595	26.3
131.52321	2.2
133.06509	6.2
133.10146	32.0
135.08066	60.4
135.11716	7.4
137.09674	4.3
142.07758	4.4
143.08604	12.7
144.09389	2.5
145.10141	37.7
147.08063	7.0
147.11664	18.6
149.09642	11.9
149.13300	5.7
151.48398	2.2
155.08623	3.3
156.09386	5.2
157.10141	17.5
159.08179	4.6
159.11694	27.1
161.09642	16.5
161.13232	19.4
163.11243	4.2
163.14839	6.4
163.27336	2.6
165.09189	9.9
165.30080	1.8
169.10197	5.7
171.11658	12.0
173.09695	3.1
173.13269	20.1
175.11206	9.4
175.14841	15.6
177.12706	2.2
177.16385	4.1
183.11708	7.5
185.09714	2.9
185.13268	15.4
187.11266	4.7
187.14825	32.6
187.62141	2.3
189.12770	15.7
189.16441	13.5
191.14339	6.4
191.18027	3.9
195.11830	3.0
197.13350	7.3
199.11191	3.2
199.14819	15.0
201.12947	5.2
201.16423	29.2
203.14337	26.9
203.17993	9.3
205.12375	2.4
205.15881	3.6
207.11868	2.7
207.13867	7.4
211.14868	5.5
213.16357	13.6
215.14349	7.2
217.15930	13.5
219.13918	5.4
221.15437	4.6
223.14986	2.7
225.16356	2.8
227.17915	3.6
229.15907	2.5
233.15398	3.6
235.16975	3.9
237.14911	3.1
239.17931	3.7
243.17393	3.1
245.15407	4.6
247.16872	3.3
255.17395	2.4
259.17044	4.4
367.25815	2.8
398.11517	2.9
403.30145	7.8
407.29770	3.2
421.30951	17.8
431.29486	4.9
437.30350	2.3
439.32098	18.9
449.30496	8.4
467.31619	11.8
485.32703	100.0
486.33478	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	485.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78799	0.3
55.05514	2.6
57.03429	1.1
57.07082	4.5
65.03942	0.7
67.05509	2.4
69.03429	0.7
69.07065	1.8
71.08644	2.6
71.59657	0.5
78.04729	0.5
79.05522	2.3
81.03422	1.0
81.07075	2.9
83.08611	1.3
85.02927	0.4
85.06520	0.6
85.10168	1.4
87.04501	0.6
91.05487	36.3
93.07032	1.0
95.04948	0.5
95.08615	2.8
97.06529	0.5
97.10197	0.6
98.98478	4.2
100.56962	0.4
103.05453	0.9
104.06273	2.9
105.07039	19.3
105.17728	0.4
107.08610	1.2
109.06490	1.4
109.10162	1.5
111.08085	1.4
117.07003	0.6
119.08549	0.7
120.12054	0.4
121.10072	0.9
123.08083	3.9
123.11690	1.0
127.07527	0.7
131.08569	1.7
133.10138	100.0
134.10497	1.3
137.09613	1.3
143.08577	0.6
145.10229	0.7
147.08055	5.6
147.11838	0.4
149.09610	0.9
153.09090	0.6
155.01022	1.8
159.11804	0.6
161.09602	0.4
171.10245	0.7
171.45969	0.4
173.02139	0.4
173.13341	0.9
187.14813	0.9
205.15897	1.3
235.20555	1.6
263.20035	0.7
313.27362	16.0
423.04770	0.6
428.03262	0.5
449.26633	1.0
485.33563	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.5
55.01869	7.4
55.05506	24.2
57.03429	7.4
59.05001	4.1
61.02924	7.4
65.03958	3.4
67.05499	25.6
68.99791	7.4
69.03433	38.9
69.07062	27.0
70.06580	13.2
70.99084	6.5
71.04995	29.9
71.06920	3.0
73.02925	4.3
79.05505	29.2
81.03424	49.0
81.06637	5.5
81.07065	63.8
83.04990	16.0
83.08621	7.5
85.02907	57.2
85.06550	3.3
87.00842	20.4
87.88740	3.0
91.05479	36.0
93.07057	64.4
95.04986	19.8
95.08616	49.8
97.02910	35.6
97.06533	12.5
99.04453	13.7
99.08105	26.6
101.04271	3.3
101.94375	3.1
103.05488	5.5
105.01869	11.9
105.07037	96.5
107.04971	5.4
107.08602	79.8
109.02887	47.7
109.06504	10.4
109.10176	46.0
111.04440	7.1
111.08082	12.8
115.03921	5.4
117.07047	18.2
119.08587	100.0
121.06501	12.0
121.10146	57.6
123.04369	3.7
123.08089	10.6
123.11728	17.0
125.09678	18.3
126.09156	13.8
127.03923	63.6
127.07557	14.3
127.11220	12.8
128.06239	5.5
129.01846	6.3
129.06998	12.4
131.04916	4.3
131.08568	58.4
133.06493	5.5
133.10141	98.8
135.04431	10.8
135.08047	7.6
135.11702	29.8
137.09676	7.7
137.13234	3.3
138.59758	3.4
139.03906	9.2
139.07542	6.7
139.11194	6.5
142.07825	7.2
143.08582	22.9
143.10648	6.8
144.09445	3.6
145.02933	5.0
145.04982	5.4
145.10133	95.9
147.02921	4.8
147.04433	4.5
147.08025	5.0
147.11694	60.6
149.09628	8.3
149.13268	14.0
151.07539	4.8
151.11179	8.5
153.09079	3.6
153.12747	7.1
155.03383	5.5
155.08539	4.4
155.10577	3.5
156.09314	6.7
157.10138	32.4
159.02887	7.8
159.08131	4.2
159.11694	58.3
161.09612	7.9
161.13304	24.3
163.03900	23.7
163.11166	8.1
163.14861	9.4
167.10747	4.7
169.10138	5.8
170.10892	8.5
171.11667	26.7
173.04477	11.5
173.09715	4.6
173.13272	52.3
175.11224	11.1
175.14853	27.4
177.12753	10.4
177.16402	10.7
181.05113	4.9
183.11737	17.0
185.13255	30.2
187.11159	4.3
187.14819	50.6
189.09152	4.1
189.12759	5.9
189.16425	13.5
191.10750	3.8
191.14294	26.7
191.17949	8.9
193.15887	10.4
195.11884	3.1
197.13319	6.5
199.14804	30.2
201.12715	6.1
201.16391	55.6
203.10738	3.2
203.14363	24.4
203.17952	7.1
205.15921	14.2
211.14813	7.6
213.03951	3.8
213.16400	13.9
215.14368	5.5
215.17964	10.3
217.12372	7.4
217.15941	19.8
219.17436	31.9
221.15341	28.6
223.14816	4.6
225.16364	5.9
227.14352	3.6
227.17946	8.0
229.15895	4.7
231.05054	9.3
231.13930	3.5
231.17595	5.1
237.18513	26.0
243.17406	4.9
245.15416	11.9
257.19104	4.0
259.04645	4.8
263.16357	5.0
285.18698	4.2
326.94189	3.1
385.28580	3.6
391.29892	4.4
403.29886	7.6
409.31189	4.5
419.29678	3.7
421.31174	15.8
437.30734	7.1
439.32108	21.9
449.21439	6.1
449.30496	12.5
467.31934	23.8
485.32248	24.2
486.17776	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	485.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.4
55.01865	10.6
55.05508	14.6
57.03429	7.2
57.07077	3.4
57.22960	2.7
60.87519	2.9
61.02918	8.2
62.83729	2.8
67.05509	22.3
68.99768	6.0
69.03122	3.5
69.03434	38.5
69.07063	13.5
70.06597	5.3
70.62471	3.3
70.62803	7.1
71.05003	29.4
71.73770	3.2
73.02917	6.5
79.05494	27.7
81.03420	35.2
81.07059	67.3
83.04972	9.0
83.08617	5.2
85.02435	4.1
85.02908	60.9
85.06532	5.9
87.00825	23.6
87.10840	2.6
91.05479	23.8
93.07055	34.0
94.21838	2.8
95.04955	11.9
95.08625	31.1
97.02901	24.3
97.06525	5.4
97.47182	2.8
99.04478	15.5
99.08104	20.7
105.01875	14.5
105.06379	5.3
105.07028	61.7
107.04996	3.4
107.08601	44.1
109.02882	33.8
109.06516	11.6
109.10172	38.7
111.08064	5.9
117.07024	9.6
119.08599	34.4
121.06507	5.5
121.10146	33.6
123.11766	8.8
125.09637	13.4
127.03926	46.3
127.07555	22.4
127.11198	21.1
128.06212	3.2
129.01819	3.2
131.08591	27.8
133.10138	100.0
135.08040	4.8
135.11681	13.8
137.09628	9.8
139.11269	3.7
143.08533	5.4
143.10648	5.8
145.04948	10.8
145.10144	36.6
147.08063	4.3
147.11674	25.0
149.13232	11.2
151.11133	14.9
153.12766	6.2
155.08569	3.3
155.10660	10.2
157.10136	8.7
159.02899	13.3
159.11723	21.8
161.13248	12.2
163.03925	6.7
163.11166	6.3
169.12219	6.5
171.11679	6.1
173.04622	3.4
173.13269	5.0
175.11241	5.0
175.14815	7.8
177.16402	4.4
187.14835	5.5
189.16411	3.1
198.28415	3.2
199.14796	5.1
201.16408	35.3
203.14354	5.5
217.15929	4.1
219.17456	34.6
221.15334	5.0
231.05070	6.4
237.18506	23.3
503.99570	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	483.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33996	2.8
53.03941	4.9
54.38502	2.5
55.01873	2.9
55.05504	12.5
57.03428	3.4
65.03957	4.5
67.05503	22.6
69.03434	7.8
69.07053	16.3
70.99452	7.4
79.05496	25.3
81.03426	10.1
81.07061	49.3
83.04986	11.8
83.08644	5.8
85.02913	8.2
87.00846	3.3
91.05481	47.9
93.07044	47.7
95.04982	9.1
95.08605	46.1
96.08971	2.9
97.06543	12.5
99.04441	4.3
103.05461	4.5
105.07031	76.9
107.04981	3.2
107.08593	53.7
109.02882	6.1
109.06528	12.8
109.10152	28.5
111.08095	4.4
115.05495	3.8
115.07545	3.1
117.07001	15.6
119.04932	14.0
119.08585	65.5
120.05277	3.3
121.06530	12.5
121.10154	39.1
123.08076	7.6
123.11703	17.0
125.09671	7.3
126.74696	2.6
127.03952	15.3
128.06212	6.5
128.52881	2.6
129.07021	15.1
131.08574	51.5
133.06529	3.9
133.10135	60.7
135.08081	10.1
135.11652	14.2
136.11101	3.1
137.09657	9.3
141.07001	4.6
142.07819	8.9
143.08562	33.0
144.09436	5.0
145.06430	3.6
145.10126	70.6
147.04424	55.3
147.08093	10.6
147.11681	31.2
148.04752	23.4
149.05017	11.9
149.09622	7.5
149.13295	8.9
151.07690	2.9
151.11183	7.4
155.08560	18.3
156.09370	9.0
157.10117	33.1
158.10924	3.5
159.08041	7.0
159.11713	53.2
161.09669	12.1
161.13281	23.9
163.11220	8.1
163.14861	7.6
167.08627	4.0
168.09349	4.7
169.10158	21.2
170.10890	7.1
171.11711	43.9
173.09619	7.9
173.13257	48.1
175.11249	10.4
175.14824	22.0
177.12804	8.3
177.16409	6.9
181.10185	7.5
182.10912	4.9
183.11705	21.8
184.12399	3.6
185.13251	31.6
187.11211	9.0
187.14835	41.3
189.12767	23.8
189.16434	15.0
191.14293	17.1
193.10162	5.5
195.11731	10.4
197.13327	21.9
199.11201	25.0
199.14830	28.1
201.12758	16.2
201.16435	12.4
203.14371	18.3
205.15906	34.4
207.11880	3.4
207.13852	4.8
207.17583	5.0
209.13220	10.4
211.14857	7.9
213.12688	8.1
213.16426	11.2
215.14316	18.6
215.17860	3.3
217.12271	40.8
217.15765	17.7
219.17451	4.4
221.13358	4.0
221.15399	7.5
223.14891	8.7
225.12881	3.4
225.16402	5.2
227.14441	4.3
229.15909	3.8
231.13869	6.0
231.17430	5.7
233.15387	3.7
235.16956	5.7
237.12759	3.1
237.16548	5.0
239.18037	4.6
241.15791	3.2
245.11787	5.6
245.15411	4.6
249.16179	3.5
251.18010	5.5
261.14740	4.8
263.12787	49.4
269.18958	4.3
273.14697	3.5
277.14392	3.6
305.17636	3.0
337.61041	3.0
383.27744	2.9
401.28491	11.9
403.29984	5.2
407.29877	6.9
419.29324	15.6
429.28021	3.8
437.30447	17.1
447.28903	8.7
453.30045	6.9
465.30020	28.1
483.20969	6.3
483.23361	5.4
483.31104	100.0
484.31500	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	483.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
55.05502	12.0
57.03432	2.3
57.07069	6.0
67.05507	17.5
69.03423	4.2
69.07090	13.6
79.05496	16.6
81.07062	42.0
83.04974	13.1
83.08634	5.4
91.05484	28.4
93.07048	39.6
95.04955	9.6
95.08607	32.2
97.06532	5.1
100.11237	4.0
103.05440	3.3
105.07034	60.8
107.04994	1.9
107.08598	45.6
109.06522	11.0
109.10168	24.1
111.08116	5.2
115.07560	5.1
117.07040	9.1
119.07782	4.0
119.08584	54.7
121.06467	5.7
121.10153	34.2
123.04417	2.1
123.08067	7.6
123.11713	17.9
124.95339	2.0
125.09617	5.9
127.03967	2.5
127.07526	2.2
128.06256	4.0
129.07014	12.5
130.07779	2.8
131.08583	36.9
133.06485	2.3
133.10132	43.4
135.08069	3.1
135.11729	11.8
136.07602	5.3
137.09628	7.4
141.06941	2.4
142.07791	6.5
143.08556	26.1
144.09360	3.7
145.06499	2.1
145.10130	51.4
146.05998	4.2
147.08070	3.6
147.11685	21.9
149.09673	3.9
149.13268	9.6
151.11194	6.2
155.08536	9.8
156.09407	10.2
157.10129	24.9
158.10934	4.1
159.07974	2.3
159.11679	32.4
161.09634	7.2
161.13263	20.7
163.11147	3.7
163.14832	5.6
167.08577	4.7
168.09474	2.3
169.10149	15.5
170.10880	3.8
171.08139	2.3
171.11700	34.3
173.09674	5.6
173.13260	45.9
175.07578	2.4
175.11192	7.7
175.14841	16.7
177.12631	2.7
177.16420	6.0
179.70802	1.9
181.10139	8.5
182.10947	2.9
183.11728	19.6
185.09688	3.7
185.13243	23.8
187.11191	7.3
187.14821	25.0
189.12743	22.3
189.16374	19.3
191.14339	7.0
194.10922	3.0
195.11708	7.0
197.13306	14.4
199.11185	31.2
199.14835	19.8
199.16597	2.8
201.12746	15.2
201.16422	9.0
203.14268	12.4
205.15895	37.9
207.17412	3.6
209.13326	6.0
211.14822	9.4
213.12845	5.3
213.16423	7.6
215.10712	2.7
215.14291	11.0
217.12248	43.2
217.15678	11.3
219.13878	2.4
219.17532	3.8
221.13298	2.2
223.14793	5.3
225.16505	5.5
227.10760	2.1
229.15923	2.7
231.13780	4.5
231.17516	4.9
235.13239	3.0
237.16447	3.6
239.17935	4.7
243.17572	3.3
245.11771	8.1
245.15285	2.7
251.17990	3.2
253.14163	2.2
255.17345	3.0
261.14789	2.7
263.12781	61.0
267.17389	2.0
277.14441	6.5
283.20352	2.4
289.14438	4.1
305.17557	2.8
319.19122	2.6
329.11380	5.9
330.11685	11.0
371.88953	2.1
391.29807	4.1
401.28433	8.1
419.29263	12.2
435.28873	3.4
437.30695	9.9
447.28992	9.1
453.29855	6.7
455.31009	3.0
465.30060	23.4
483.31058	100.0
484.31683	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	483.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25482	2.2
53.88203	2.0
55.05518	18.5
57.03433	6.2
57.07074	10.5
67.05486	3.8
69.07068	21.2
70.32713	2.3
70.84193	5.2
71.08626	5.7
73.07399	1.9
79.05518	2.0
81.07038	4.7
81.50558	2.3
83.08622	18.3
85.10138	3.2
93.07042	2.5
95.08588	4.5
97.10190	14.8
98.98478	12.5
111.11741	4.6
121.10118	2.9
155.01071	6.1
311.25800	100.0
312.26044	3.3
447.24973	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	483.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.6
59.94106	4.9
61.04520	4.6
62.20490	4.7
67.05492	20.2
67.34084	4.5
69.07056	21.7
71.60359	7.4
79.05499	17.5
81.07067	35.0
83.08615	8.4
91.05480	34.3
93.07042	30.0
95.04951	13.7
95.08612	42.3
97.06557	8.1
105.07040	89.7
107.08605	58.6
108.18067	4.5
109.06569	7.7
109.10158	18.3
111.08092	6.7
117.07010	18.6
119.08597	100.0
121.06520	13.2
121.10167	32.8
123.08086	11.8
123.11716	6.4
129.07059	10.3
131.08575	52.7
133.10147	47.0
135.08035	13.8
135.11665	13.1
143.08525	25.5
144.09383	5.6
145.10147	77.8
147.08020	5.7
147.11697	23.6
149.13269	9.7
155.08603	13.4
156.09351	8.1
157.10117	30.3
159.08067	7.7
159.11700	37.7
161.09674	6.8
161.13237	41.8
163.07530	5.5
163.11195	8.5
163.14850	14.6
169.10155	17.9
170.10910	4.9
171.11742	25.4
172.75691	4.8
173.09669	5.6
173.13301	55.7
175.11255	7.8
175.14830	54.2
177.12733	5.1
177.16364	5.5
182.10948	6.0
183.11676	22.5
184.12198	6.9
185.13278	18.1
187.14844	56.6
189.09236	5.2
189.16385	14.0
191.14297	17.9
195.11728	6.9
197.13264	21.6
199.14841	45.5
201.12674	7.0
201.16371	61.8
203.14339	7.5
203.17952	10.5
207.13811	5.0
209.13249	9.0
211.14857	14.2
213.16409	16.1
215.17978	11.1
219.13818	16.0
221.15346	7.8
223.14772	9.3
225.16402	12.5
227.18004	14.6
229.15886	6.9
235.14925	6.5
239.17868	9.2
241.19547	6.7
245.15384	18.1
247.16916	10.0
253.19519	15.2
259.17020	10.6
273.18802	5.5
291.20993	6.7
299.20218	9.3
319.24075	8.7
351.16782	5.3
373.28915	11.3
377.24780	5.8
401.28296	14.4
419.29385	51.5
421.31079	9.8
437.30511	43.2
439.32318	7.5
441.26627	9.4
447.28873	13.8
451.26605	12.5
465.29892	37.3
483.30518	72.3
500.88937	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	483.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.8
55.01880	13.0
55.05514	21.6
57.03437	10.1
57.07095	5.8
65.03967	6.1
67.05498	28.5
68.99796	8.0
69.03437	30.0
69.07069	20.2
69.24719	57.8
69.25120	16.1
70.32713	6.2
72.12897	6.0
72.13306	6.7
73.02942	6.8
79.05492	29.5
79.21805	5.6
81.03422	38.5
81.07073	51.7
83.04984	10.1
83.08608	8.3
85.02908	50.5
87.00820	23.8
91.05479	54.4
93.07059	60.9
95.04972	22.1
95.08616	64.8
97.02892	29.3
97.06562	8.7
97.10180	7.2
99.04446	13.0
105.01871	12.8
105.07042	83.0
107.04971	7.8
107.08606	65.4
109.02879	36.2
109.06514	18.6
109.10172	35.7
111.04335	6.9
115.03983	6.8
117.01859	7.1
117.07053	20.3
119.04954	21.9
119.08588	100.0
120.05290	8.3
121.06514	10.2
121.10155	41.7
121.92765	5.9
123.11734	15.1
125.06068	5.9
127.03928	50.8
128.04239	7.5
129.07025	11.0
131.04936	9.6
131.08577	69.3
131.87082	6.3
133.10156	55.2
135.08075	11.9
135.11681	33.5
142.07787	18.3
143.08582	36.7
144.09248	8.7
145.04955	12.5
145.10135	85.7
147.04460	50.0
147.08054	13.5
147.11711	39.3
148.04755	25.3
149.04947	16.7
149.09717	6.7
149.13258	11.4
155.08611	14.6
156.09354	14.8
157.10143	55.5
159.02924	8.5
159.08070	8.0
159.11711	42.4
161.09605	13.2
161.13286	7.5
163.11223	12.7
163.14816	11.9
168.09335	8.1
169.10138	22.3
170.10947	8.8
171.11684	35.2
173.09669	12.1
173.13306	55.2
175.11267	7.8
175.14810	20.4
177.12802	8.1
177.16438	15.5
181.10127	9.0
183.11707	31.7
185.13306	32.2
187.11272	8.9
187.14888	48.7
189.12769	14.5
189.16351	21.2
191.14296	13.5
194.09459	6.3
195.11690	7.2
195.90422	5.7
197.13283	21.2
199.14790	40.0
201.12807	7.1
201.16383	20.0
203.14355	19.9
205.15875	17.5
211.14870	15.4
213.12787	7.1
213.16396	13.0
215.14366	21.7
217.15906	39.6
229.15970	8.7
235.16939	18.7
247.17044	7.8
249.16331	8.5
256.09360	6.1
270.76816	6.2
343.18982	8.8
419.29575	14.8
435.28735	9.5
437.30368	13.5
447.29025	20.2
451.15323	8.0
483.31479	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03666	1.2
53.03949	8.3
55.05518	12.3
57.07066	4.5
59.04997	3.1
61.02916	6.4
65.03934	2.9
66.71361	1.6
67.05176	2.2
67.05508	29.3
68.99785	10.6
69.03426	13.8
69.07072	26.4
71.04639	2.6
71.04997	35.7
73.06565	2.2
79.05495	20.9
81.03423	18.3
81.07065	51.4
83.04971	7.0
83.08636	8.5
85.02917	13.1
85.06515	2.4
87.00832	8.5
87.08108	2.4
89.06038	3.7
91.05484	25.9
93.07051	54.9
95.04971	30.9
95.08147	1.7
95.08627	24.4
97.02883	6.5
97.06520	5.6
97.10136	2.1
99.04450	6.2
103.05463	2.7
105.01800	2.2
105.07034	46.1
107.04977	1.7
107.08603	100.0
109.02883	14.5
109.06521	10.1
109.10162	54.7
111.08095	34.4
115.03957	1.4
117.07031	3.5
119.07794	3.3
119.08591	41.8
121.06544	2.5
121.10157	29.8
123.04386	1.8
123.08085	4.6
123.11685	9.2
125.08753	2.4
125.09637	38.1
127.03927	20.8
127.11177	4.7
129.01843	11.9
131.08559	19.4
133.10127	25.1
135.08046	4.5
135.11693	47.5
137.05954	2.4
137.09607	4.0
142.07745	2.1
143.08557	4.5
145.10124	32.5
147.02876	6.3
147.04422	1.8
147.08047	9.8
147.11700	76.6
148.12000	2.0
149.09618	4.1
149.13284	4.5
153.12752	47.7
155.08568	2.5
157.10156	11.3
159.11705	13.9
161.09618	7.2
161.13278	4.5
163.11206	6.3
165.12749	7.3
171.11682	3.9
173.13290	7.5
175.11191	9.9
175.14825	9.1
179.10670	1.8
183.11676	2.8
184.93370	1.8
187.14751	5.0
189.16418	30.9
191.14259	2.5
191.17908	2.2
193.15915	4.7
199.11212	2.2
199.14813	7.3
205.16086	2.0
207.17403	2.8
213.03899	3.5
217.15901	37.0
231.05022	2.4
235.16962	24.5
253.18060	16.7
277.17981	4.7
392.42606	1.8
465.21112	4.6
465.29587	1.7
483.22168	20.4
483.30838	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	483.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.7
53.03943	6.5
55.01865	2.8
55.05521	10.0
57.07070	4.7
59.04999	3.2
61.01058	1.2
61.02929	7.8
65.03944	2.6
65.17501	1.4
67.01851	1.5
67.05508	31.5
68.99792	11.3
69.03434	19.0
69.07075	25.8
70.97894	1.4
71.04998	35.7
71.40046	3.0
73.06551	2.9
79.05501	20.4
81.03422	20.7
81.07063	50.7
83.04989	5.5
83.08632	10.0
85.02917	16.1
85.06551	1.8
87.00842	6.8
89.06022	5.0
89.85599	1.2
91.05488	20.3
93.07055	53.1
95.04978	32.3
95.08045	2.4
95.08614	28.2
97.02901	9.6
97.06542	5.7
97.10163	3.1
97.30063	1.3
99.04447	5.8
99.08123	1.9
103.05482	1.5
105.01900	2.6
105.07040	47.0
107.04976	2.1
107.08602	100.0
108.08958	1.4
109.02892	16.0
109.06525	10.0
109.10162	43.4
111.08085	38.8
115.03938	1.4
117.07021	4.5
119.08589	42.9
121.06501	2.6
121.10146	30.1
123.08070	2.8
123.11707	9.4
125.09639	41.2
127.03913	20.8
127.11201	3.6
129.01860	10.7
129.06987	3.7
129.57271	1.4
131.08571	17.2
133.06494	2.0
133.10144	23.7
135.08057	3.7
135.11700	56.2
137.09610	5.6
141.07018	1.4
142.07791	1.9
143.08551	6.4
145.10124	33.2
147.02875	3.8
147.04413	1.5
147.08017	7.5
147.11693	74.1
149.09613	3.2
149.13252	5.2
153.11493	2.9
153.12749	47.1
157.10126	10.6
159.08009	1.6
159.11690	13.1
161.09608	6.6
161.13275	4.9
163.04016	1.6
163.11212	4.5
165.09142	1.4
165.12717	7.0
169.10121	1.3
171.11725	4.2
173.09581	1.9
173.13286	7.5
175.11176	13.8
175.14812	9.8
185.13326	1.7
187.14890	2.2
189.12798	3.9
189.16396	28.7
191.17935	3.0
193.15901	7.1
197.13269	1.6
199.14821	8.0
201.16415	2.2
205.15930	2.0
207.17488	3.3
213.03955	2.7
217.12369	1.7
217.15900	28.9
235.16963	24.4
253.18001	14.0
263.12814	1.8
277.17993	4.4
325.17764	1.7
379.15436	2.8
419.29523	1.7
465.21265	1.9
465.30057	1.9
483.15854	1.6
483.22134	20.5
483.30829	3.9
484.22391	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	483.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01868	1.1
55.05506	2.1
65.03934	1.4
67.05505	6.7
68.05025	1.1
68.05822	1.5
69.03448	3.9
69.07064	3.2
70.06596	55.4
70.87402	1.8
71.05008	0.9
71.06306	1.3
71.06927	10.9
75.63015	0.6
79.05495	3.5
81.03415	4.7
81.07075	4.7
83.04971	1.7
83.08627	1.1
84.08141	1.2
84.69759	0.8
85.02910	3.1
85.06558	0.9
86.09703	0.8
87.24280	0.7
91.05485	4.1
93.07037	6.3
94.06567	1.8
95.04957	6.7
95.08603	4.4
96.05306	2.4
97.02894	2.4
97.06530	1.4
99.04434	1.6
105.07027	6.6
107.08589	7.2
109.02868	2.2
109.06513	1.8
109.10142	3.7
112.07614	9.1
113.06022	0.9
113.07960	2.2
114.05519	2.0
117.07043	1.6
119.01891	1.7
119.08570	6.4
121.06490	1.4
121.10152	8.3
123.08067	3.0
123.42574	0.8
127.00058	1.0
127.03905	2.6
129.07016	1.0
130.08661	0.9
131.04909	1.1
131.08591	3.3
132.45804	0.6
133.10136	4.2
135.08076	1.4
135.11707	2.8
136.07545	1.0
137.09599	1.2
141.16748	0.7
142.07736	1.5
143.08568	1.5
145.10106	4.4
146.36261	0.8
147.04411	1.9
147.08095	1.2
147.11736	2.3
149.09659	1.7
149.13307	1.2
155.08646	1.0
157.10139	2.0
159.02924	0.8
159.11681	4.2
161.03038	2.7
161.09660	2.0
161.13281	1.3
162.05508	0.8
163.11128	1.1
169.10193	1.9
171.11732	1.5
173.09918	0.7
173.13278	2.2
175.11241	1.4
175.14801	1.7
177.16400	1.2
179.34138	0.8
183.11726	1.4
185.13284	2.1
187.11105	0.8
187.14883	2.9
189.12714	1.2
189.16417	0.8
191.14317	0.8
199.14864	1.7
201.12804	1.7
201.16365	1.0
203.04019	1.0
205.15935	1.0
213.16342	1.4
215.14340	0.8
217.12282	1.4
217.15953	2.3
219.17307	0.8
235.13263	1.4
235.16815	3.3
238.10750	1.3
251.14963	2.1
256.11786	1.4
257.12097	1.4
269.15988	1.5
271.04214	0.9
274.12967	3.8
275.13123	3.5
277.16687	1.2
295.17508	1.9
300.56461	0.8
302.11017	1.2
307.17413	0.9
318.12000	1.1
319.12045	0.9
379.19958	3.1
397.21097	7.3
437.30640	1.4
439.22769	17.0
465.30331	1.5
483.22031	100.0
483.30185	3.0
484.22464	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	483.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09768	0.9
51.23178	0.7
53.03957	1.7
53.58773	0.8
59.86036	0.8
62.21717	0.8
66.27538	0.8
67.05505	3.7
69.03432	1.7
70.06615	0.8
71.59151	1.1
81.03426	3.9
81.07059	0.9
85.02921	2.1
91.05492	1.7
92.10590	1.0
93.07066	1.9
94.06588	4.0
95.05005	1.0
95.08649	0.9
105.07045	1.7
108.08154	1.1
109.02905	4.3
111.57567	0.8
119.08607	1.5
121.14819	0.7
122.06036	9.4
123.04359	1.3
127.03946	2.2
128.07091	0.9
131.08569	0.8
133.10100	1.1
136.07590	63.0
140.07072	1.4
157.10057	0.9
159.11748	1.4
163.03911	1.0
164.07079	100.0
165.07428	1.7
168.06639	1.7
168.71716	1.1
182.08167	12.6
185.13194	0.9
224.09187	17.2
242.46210	0.8
243.11382	2.3
272.09134	1.3
285.12347	5.5
286.10764	1.7
290.10275	7.3
303.13379	2.7
308.11279	9.7
326.12366	17.8
411.15466	1.8
429.16510	1.4
442.03165	0.9
458.16660	0.8
474.26730	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	483.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01868	1.1
55.05506	2.1
65.03934	1.4
67.05505	6.7
68.05025	1.1
68.05822	1.5
69.03448	3.9
69.07064	3.2
70.06596	55.4
70.87402	1.8
71.05008	0.9
71.06306	1.3
71.06927	10.9
75.63015	0.6
79.05495	3.5
81.03415	4.7
81.07075	4.7
83.04971	1.7
83.08627	1.1
84.08141	1.2
84.69759	0.8
85.02910	3.1
85.06558	0.9
86.09703	0.8
87.24280	0.7
91.05485	4.1
93.07037	6.3
94.06567	1.8
95.04957	6.7
95.08603	4.4
96.05306	2.4
97.02894	2.4
97.06530	1.4
99.04434	1.6
105.07027	6.6
107.08589	7.2
109.02868	2.2
109.06513	1.8
109.10142	3.7
112.07614	9.1
113.06022	0.9
113.07960	2.2
114.05519	2.0
117.07043	1.6
119.01891	1.7
119.08570	6.4
121.06490	1.4
121.10152	8.3
123.08067	3.0
123.42574	0.8
127.00058	1.0
127.03905	2.6
129.07016	1.0
130.08661	0.9
131.04909	1.1
131.08591	3.3
132.45804	0.6
133.10136	4.2
135.08076	1.4
135.11707	2.8
136.07545	1.0
137.09599	1.2
141.16748	0.7
142.07736	1.5
143.08568	1.5
145.10106	4.4
146.36261	0.8
147.04411	1.9
147.08095	1.2
147.11736	2.3
149.09659	1.7
149.13307	1.2
155.08646	1.0
157.10139	2.0
159.02924	0.8
159.11681	4.2
161.03038	2.7
161.09660	2.0
161.13281	1.3
162.05508	0.8
163.11128	1.1
169.10193	1.9
171.11732	1.5
173.09918	0.7
173.13278	2.2
175.11241	1.4
175.14801	1.7
177.16400	1.2
179.34138	0.8
183.11726	1.4
185.13284	2.1
187.11105	0.8
187.14883	2.9
189.12714	1.2
189.16417	0.8
191.14317	0.8
199.14864	1.7
201.12804	1.7
201.16365	1.0
203.04019	1.0
205.15935	1.0
213.16342	1.4
215.14340	0.8
217.12282	1.4
217.15953	2.3
219.17307	0.8
235.13263	1.4
235.16815	3.3
238.10750	1.3
251.14963	2.1
256.11786	1.4
257.12097	1.4
269.15988	1.5
271.04214	0.9
274.12967	3.8
275.13123	3.5
277.16687	1.2
295.17508	1.9
300.56461	0.8
302.11017	1.2
307.17413	0.9
318.12000	1.1
319.12045	0.9
379.19958	3.1
397.21097	7.3
437.30640	1.4
439.22769	17.0
465.30331	1.5
483.22031	100.0
483.30185	3.0
484.22464	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	483.12
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	1.9
70.17023	1.5
71.12506	3.6
73.28452	1.5
77.00918	2.1
81.03436	1.5
82.99866	2.2
85.02893	1.8
89.00873	1.9
89.56057	1.4
94.99899	1.8
96.57772	1.6
97.02881	1.9
98.97604	7.3
100.95809	1.5
101.00888	16.2
110.97559	2.3
113.00854	3.9
119.01937	26.2
127.02429	3.7
127.03922	1.8
128.98589	4.0
131.01910	17.7
133.03484	6.8
135.47018	1.6
139.02411	2.5
140.98540	1.8
143.01900	24.1
145.03452	16.2
147.01364	2.3
149.03012	3.6
155.01904	27.9
157.03474	14.1
158.99660	5.4
161.02957	23.7
167.01897	13.6
169.03493	5.4
170.99699	2.8
171.05034	3.6
173.02979	45.9
174.03265	1.9
175.04500	8.3
177.02594	3.2
179.01892	4.1
185.01334	2.9
185.02975	54.4
187.04538	6.9
191.03995	2.7
197.02985	18.9
199.04544	2.7
201.00821	3.1
201.02455	49.5
203.04039	14.8
209.03081	2.4
213.02452	12.2
215.04039	9.2
219.03516	92.4
221.05014	10.8
225.02409	2.6
227.03998	10.7
230.13202	1.7
231.03493	9.5
237.02489	3.3
237.04666	3.5
239.06227	7.9
243.03630	3.7
245.05084	100.0
246.05150	3.3
249.04622	10.3
255.03516	6.9
257.05133	7.2
261.04739	14.2
263.06180	20.7
275.06131	35.4
275.08926	3.1
279.05646	5.5
285.04587	2.5
288.98639	1.6
293.07339	3.3
303.05673	27.3
303.08984	1.6
305.07230	12.9
309.23615	1.6
321.06723	38.1
321.10226	1.5
335.08209	3.8
339.07617	2.7
365.09302	10.1
383.10165	2.7
395.22989	1.8
465.11661	1.6
483.11896	29.0
483.18402	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	482.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
57.07081	60.5
59.17396	1.5
69.07069	7.3
69.29314	2.7
69.29720	10.1
71.08636	59.2
73.06554	2.8
83.08621	2.4
83.38292	1.3
85.10185	35.2
87.04477	3.4
87.94765	1.2
89.06036	100.0
97.10167	2.3
99.11736	4.3
102.77552	1.3
107.07074	2.2
109.10150	1.6
111.11720	4.0
113.13288	7.1
125.13267	2.3
127.14853	2.3
130.08682	2.4
133.08615	57.0
134.23219	1.4
177.11237	25.0
195.12299	3.1
221.13786	3.1
239.14920	4.6
247.04750	1.4
271.26352	2.7
283.17535	30.6
315.28946	2.2
451.19647	1.7
465.37878	23.6
482.39972	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	483.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.3
57.84876	0.3
69.31814	2.5
71.95258	0.5
93.53584	0.4
93.93807	0.3
98.96944	0.6
98.97588	12.0
104.34233	0.3
116.98630	10.1
132.96571	0.7
134.99667	5.0
135.40723	0.4
150.97668	0.4
153.00717	0.9
172.94376	0.4
174.97675	5.2
190.95570	1.5
192.98723	5.1
196.94572	0.5
198.97719	0.5
208.96722	1.6
214.95625	3.8
216.98692	2.8
232.96684	18.1
233.96843	0.7
234.99785	4.8
236.99609	0.4
238.95464	1.7
240.98885	0.7
250.97762	13.9
251.97861	0.4
253.01007	0.6
256.96695	24.2
257.96838	1.1
258.99887	6.7
259.99924	0.4
274.97739	68.0
275.97861	3.4
276.98007	1.2
277.00870	7.3
278.01059	0.6
279.00693	0.5
280.96527	2.9
282.99988	6.1
284.00177	1.0
288.99219	0.5
289.96478	0.8
290.95615	0.9
292.98734	14.9
293.98956	0.7
297.99353	1.3
298.97757	63.9
299.97867	3.3
300.97760	0.8
301.01041	9.6
302.01212	1.2
303.00967	1.1
307.97977	0.7
314.95654	0.7
316.98819	100.0
317.98984	5.8
318.99106	1.1
331.00409	1.3
332.96719	1.1
334.99921	2.4
340.00391	3.5
340.98993	1.3
356.96811	1.0
358.99899	4.8
360.00183	0.6
365.98450	0.4
374.97864	3.5
380.97031	0.8
382.99902	0.7
395.58380	0.4
398.97861	3.3
401.01166	0.6
416.98911	10.9
417.99084	1.0
422.86694	0.4
422.97678	6.1
425.01126	0.7
434.99994	0.5
440.98947	66.4
441.99017	4.6
443.02014	1.2
444.02734	0.5
445.01999	0.4
458.99988	78.2
460.00070	6.2
461.00140	0.9
473.01642	1.7
477.01019	1.2
482.01495	6.0
483.00446	2.3
484.00186	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	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.01865	5.0
55.05503	7.2
56.95490	2.7
57.03439	5.0
57.07076	12.4
60.11675	2.5
61.02922	2.8
68.40059	3.1
69.03441	18.0
69.07069	54.6
70.76826	6.7
71.05000	7.8
71.08636	7.5
73.02891	3.2
73.06551	9.5
81.03417	17.7
83.08630	3.6
85.02908	41.9
85.10194	3.6
87.00825	24.3
89.06031	30.7
91.03952	2.6
97.02894	34.6
99.04462	8.0
102.58099	2.4
105.01878	36.8
109.02864	16.8
111.11723	85.1
119.08626	2.7
120.05298	3.3
123.91234	2.2
127.03925	38.6
129.12759	100.0
131.08572	2.5
134.54066	2.4
145.04977	17.8
147.04463	14.5
148.04771	8.1
148.55162	2.5
159.02907	6.9
159.78403	2.5
182.09828	2.3
199.16957	20.5
213.03922	3.1
217.18008	13.3
231.05013	10.6
346.65500	2.5
357.49628	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	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58565	0.7
53.03935	2.3
55.01873	1.0
55.05521	5.3
57.03436	0.9
57.07071	2.5
61.02938	1.1
67.05508	1.1
68.99812	0.8
69.03439	5.0
69.07071	76.4
69.33170	2.4
69.33588	5.3
71.04993	3.3
71.08659	2.0
73.02905	1.1
81.03432	5.2
83.08635	2.5
85.02908	11.7
85.10195	1.6
87.00388	0.9
87.00827	6.2
89.05999	1.4
91.03930	1.0
91.05473	1.6
97.02896	6.7
99.04464	2.3
105.01888	3.0
109.02892	3.5
111.11724	100.0
113.38356	0.9
119.04974	1.4
119.08523	0.9
127.03922	7.0
129.01860	1.0
129.12741	4.3
145.04987	2.6
147.04459	3.2
148.04774	2.6
159.02913	2.1
199.16946	36.1
217.18013	14.3
219.76741	1.0
263.41577	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	482.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.4
65.03954	0.6
66.35007	0.3
67.05508	10.5
68.05034	0.7
69.03433	0.7
69.07080	3.1
70.06596	100.0
70.90238	0.6
71.05020	0.5
79.43308	0.3
81.03431	1.0
84.08137	1.8
85.02918	0.6
85.06538	0.6
94.05484	0.4
94.06576	3.5
95.04976	12.8
97.02897	1.3
98.21475	0.4
106.06659	0.4
109.02905	1.1
110.06036	0.8
112.07611	20.5
113.06046	0.6
114.05587	0.5
124.07545	0.5
127.03938	0.8
130.08629	2.5
136.07628	1.2
149.99916	0.3
154.08693	0.8
172.09659	2.0
174.07648	0.6
178.08717	1.0
190.08690	0.4
214.10851	0.9
220.09744	1.0
238.10722	2.9
256.11829	7.1
256.14307	0.6
274.12866	10.3
274.15625	0.7
275.13550	0.5
300.10883	2.8
318.11826	3.8
392.94955	0.3
438.21426	1.0
482.20398	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	482.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46807	0.4
54.70453	0.4
54.98970	0.4
65.03953	0.9
67.05509	14.2
68.05037	0.8
69.03439	0.7
69.07073	3.5
70.06597	100.0
70.74371	1.0
70.74694	0.4
71.04996	0.6
71.06946	0.7
76.30855	0.4
81.03437	1.2
82.06585	0.6
82.60144	0.4
84.08168	2.2
85.02913	0.5
85.08064	0.4
94.06586	4.1
95.04976	15.2
95.05552	0.9
97.02914	1.3
109.02910	1.7
112.07615	27.0
113.05989	1.0
127.03941	1.5
130.08632	2.1
136.07620	1.4
140.77141	0.5
154.08694	1.3
172.09636	2.0
174.07658	0.6
178.08730	1.4
214.10965	0.8
216.08809	0.8
220.09711	1.1
238.10783	4.8
256.11813	7.9
274.12863	14.5
300.10947	1.7
318.11835	3.7
405.97754	0.5
438.21399	1.4
482.16562	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	482.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51098	0.3
57.77071	0.2
65.03951	0.6
67.05510	5.0
68.05035	1.0
69.03419	0.3
69.07072	1.3
70.06599	100.0
71.06925	0.7
71.10670	0.4
71.10989	0.4
79.05495	0.6
81.03419	0.9
82.06567	0.5
84.08161	0.8
85.02911	0.9
86.09699	0.6
89.38458	0.3
91.05505	0.6
94.06582	1.5
95.04985	6.3
97.02930	0.9
107.08630	0.5
109.02921	1.0
109.06585	0.3
109.10176	0.3
110.06081	0.7
112.07619	9.4
113.06026	0.4
117.39252	0.3
121.10175	0.5
122.07407	0.3
127.03947	0.8
130.08673	1.5
133.10147	1.5
135.08096	1.0
136.07626	1.3
137.07921	0.6
137.09602	1.5
139.11263	0.4
140.01962	0.2
147.04477	0.3
149.42775	0.3
154.08664	0.7
164.07114	0.5
165.07404	0.4
172.06165	0.4
172.09764	0.6
174.07596	0.4
178.08716	0.4
220.09766	0.6
237.17027	0.3
238.10806	1.6
256.11816	2.2
274.12857	6.6
292.14023	0.4
300.10983	0.6
318.11890	3.8
423.67145	0.3
438.21320	0.4
482.20438	1.7
482.27725	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	481.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
54.58493	1.5
55.05517	11.0
57.03439	8.4
57.07074	6.6
59.05002	1.5
61.02898	1.9
65.03960	2.6
67.05518	13.1
68.99797	5.1
69.03425	7.1
69.07072	22.6
69.60461	7.3
69.60869	2.7
71.04996	5.3
73.02938	1.8
79.05495	2.4
81.03421	10.4
81.07065	7.0
83.08638	4.8
85.02929	16.4
87.00826	9.9
91.05499	11.7
93.07030	3.0
95.08641	3.0
97.02889	10.1
97.10177	23.7
98.21514	2.6
99.04469	2.8
105.01875	4.6
105.07021	4.9
109.02892	12.2
109.10166	39.5
115.11230	15.6
117.07014	2.1
119.04958	18.9
119.08559	2.1
120.27155	1.5
127.03927	23.2
127.11206	100.0
129.01863	3.9
131.08585	2.4
133.10144	2.5
145.04961	2.6
145.10181	2.1
145.12245	11.3
146.05992	3.8
147.04419	75.3
151.07478	1.5
155.08572	1.8
157.10249	2.6
159.11710	3.5
161.13164	1.7
165.05441	2.1
165.09077	1.8
174.05580	3.6
183.11839	1.5
213.04047	2.8
215.14496	1.7
215.16434	2.2
231.05040	3.3
233.17505	7.0
271.42355	1.4
289.05435	3.4
300.08554	2.0
321.81561	1.6
329.11151	3.8
374.62790	1.6
481.09796	2.5
481.29596	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	481.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05510	2.3
57.02060	0.3
60.04473	0.3
61.02925	0.5
65.03943	1.7
67.05503	2.1
68.99788	1.2
69.03426	1.8
69.07073	0.9
70.06593	2.7
71.04983	0.6
71.58678	0.7
73.02885	0.3
79.05476	1.4
81.02995	0.4
81.03429	6.5
81.07067	3.3
81.76215	0.4
83.04978	1.4
83.08627	0.4
85.02905	4.6
86.09698	0.4
87.00849	1.5
91.05489	14.6
93.07063	3.2
95.04971	1.4
95.08624	2.0
97.02910	2.4
97.06529	1.0
99.04458	1.2
103.05499	0.3
105.01878	0.5
105.07028	4.2
107.05011	0.5
107.08601	1.5
109.02887	4.9
109.06514	0.8
109.10156	2.2
110.08988	0.3
114.05582	0.4
117.06994	0.6
118.63053	0.3
119.04954	26.4
119.08583	2.0
121.02812	0.3
121.06490	0.5
121.10146	0.9
123.08064	0.9
123.11716	0.8
127.03921	8.5
129.01836	1.2
131.08601	1.9
131.22510	0.3
133.10152	3.6
135.08156	0.6
135.11736	0.5
137.09633	0.7
142.60727	0.3
143.08559	0.4
145.06439	0.4
145.10155	2.5
147.04420	100.0
147.11713	0.9
148.04785	1.3
149.09621	0.9
151.07533	0.5
151.11105	0.5
155.08507	0.4
156.09419	0.4
157.10085	0.5
159.08011	0.5
159.11714	1.3
161.13219	0.4
165.05470	0.5
165.09152	0.6
172.12581	0.3
173.09671	0.7
173.13292	0.4
185.13362	0.5
187.14850	1.8
189.16399	0.5
191.10565	0.3
197.13257	0.5
197.19109	0.5
213.03912	1.0
213.12836	0.4
215.14301	0.9
227.05275	0.8
231.05031	0.4
233.15198	3.9
271.04172	0.7
275.16153	0.7
293.15869	0.4
312.07724	0.3
313.89188	0.3
335.16928	0.4
377.08728	1.1
377.19391	0.6
395.20416	7.6
413.20578	0.5
419.20459	1.3
437.21475	19.6
438.21921	0.7
481.09525	2.9
481.20486	64.3
482.20856	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	481.098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48247	0.2
53.03941	0.6
55.14180	0.1
57.03432	0.2
58.70684	0.2
60.20039	0.2
63.15213	0.1
65.03941	1.5
68.99809	0.4
69.03428	0.6
69.07053	0.2
70.84290	0.5
71.04983	0.3
81.03423	6.5
85.02899	2.9
87.00835	1.2
91.05482	13.7
95.04959	0.2
97.02894	1.4
99.04479	1.0
105.07098	0.2
109.02886	3.5
115.69990	0.2
119.04950	28.2
120.05287	0.4
127.03922	6.6
129.01872	0.5
135.58916	0.2
147.04416	100.0
148.04767	1.3
153.01776	0.2
165.05496	0.7
195.02899	0.2
213.04001	0.9
289.05289	0.3
335.07477	0.3
377.08698	1.1
395.09869	0.3
481.09821	2.3
481.20294	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	481.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
52.04248	0.2
53.03956	1.1
57.03440	0.3
57.19911	0.2
65.03945	1.4
68.99809	0.4
69.03429	0.4
69.55445	0.2
70.21775	0.1
71.05007	0.3
73.39722	0.2
81.03426	5.1
85.02905	2.7
87.00833	1.2
91.05490	11.6
96.91460	0.2
97.02913	0.7
97.41467	0.2
98.21535	0.2
99.04468	0.7
105.01825	0.2
107.30691	0.2
109.02894	1.9
119.04953	26.1
120.05299	0.2
127.03929	6.8
129.01848	0.2
132.63586	0.2
147.04420	100.0
148.04759	1.1
153.01820	0.3
165.05487	0.7
193.82054	0.2
213.03914	0.7
231.05157	0.2
335.07532	0.3
377.08493	0.6
443.08456	0.2
481.09888	3.1
481.20117	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	481.205
Annotation	Longicornin A
Peak:m/z	Relative Intensity
53.03949	1.3
55.05508	2.9
55.93297	0.9
57.03445	1.2
67.05506	1.5
68.99798	1.3
69.03424	2.2
69.07056	3.1
69.60342	7.6
71.05026	2.0
75.44946	1.0
79.05497	1.1
81.03424	5.7
81.07056	4.1
83.34734	1.1
85.02904	3.6
85.30135	1.1
87.00841	1.5
91.05478	8.0
93.07044	2.5
95.04977	2.5
95.08614	2.9
97.02895	2.0
99.04454	2.2
105.07039	6.4
107.08589	2.2
109.02896	4.7
109.10176	1.8
117.07060	1.2
119.04956	14.2
119.08578	10.6
121.10161	2.9
123.11719	4.3
127.00031	1.5
127.03912	8.0
131.08566	2.1
133.10149	6.6
133.35362	1.1
134.44798	1.0
144.64821	1.0
145.04955	2.1
145.10135	2.5
147.04419	50.2
147.08212	1.2
147.11751	1.3
157.10078	1.1
159.11702	1.8
161.09627	1.3
162.66646	1.2
163.03876	2.9
173.13246	1.2
175.14865	3.5
187.14880	1.8
203.05319	2.6
215.14386	1.7
218.92970	1.1
227.05338	1.6
233.15358	2.7
245.06361	8.3
271.04422	1.3
287.03772	2.2
289.05319	34.1
338.51083	1.3
395.20743	3.2
419.20352	11.0
437.21561	12.1
451.19284	1.9
459.17065	1.2
463.19431	98.1
464.19720	4.2
476.94519	1.2
481.20505	100.0
482.20712	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	481.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
51.67263	0.1
53.03943	1.0
57.03437	0.3
59.65770	0.1
61.02920	0.3
65.03939	1.2
68.99799	0.6
69.03432	0.5
70.66073	0.4
71.05001	0.5
78.12162	0.1
81.03423	6.2
85.02909	3.2
85.03421	0.2
87.00843	1.1
91.05487	13.4
95.04967	0.2
97.02895	1.1
99.04469	1.0
105.01876	0.2
105.61939	0.1
105.65343	0.1
109.02883	2.4
112.66700	0.2
119.04952	28.0
120.05204	0.2
125.38056	0.2
127.03922	8.2
129.01851	0.5
129.68207	0.1
147.04417	100.0
148.04802	0.8
153.01820	0.3
159.95135	0.2
165.05441	0.7
195.02815	0.2
213.03992	1.0
231.04904	0.3
289.55066	0.2
299.03769	0.2
335.07550	0.3
377.08447	0.7
395.09747	0.2
400.38779	0.1
434.14655	0.2
481.03046	0.2
481.09711	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	481.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
51.61737	0.1
51.92516	0.1
52.69556	0.1
53.00317	0.1
53.03936	0.7
57.03440	0.4
61.02923	0.4
61.45408	0.1
65.03938	1.5
67.05524	0.2
68.99804	0.7
69.03426	0.4
71.04992	0.4
72.05355	0.1
72.05936	0.1
81.03423	6.0
85.02909	3.4
87.00829	1.3
90.42731	0.1
91.05485	13.7
95.04995	0.2
97.02900	0.8
99.04456	1.4
105.01859	0.1
109.02880	2.4
119.04951	29.0
120.05262	0.2
127.03926	7.8
129.01871	0.6
145.04976	0.3
147.04416	100.0
148.04776	1.1
153.01814	0.2
165.05544	0.7
213.03940	0.9
231.04997	0.2
235.52975	0.1
299.03986	0.2
311.72266	0.1
335.07703	0.2
345.40402	0.2
377.08469	0.6
377.47556	0.1
395.09863	0.2
481.09775	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	481.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03732	0.2
53.03941	1.6
54.92102	0.3
55.01878	0.4
55.60160	0.2
61.02920	1.1
65.03934	1.8
65.04223	0.3
67.01877	0.4
68.99789	1.9
69.03417	2.0
71.04999	0.5
81.03421	12.1
81.07027	0.4
84.12772	0.3
85.02907	2.5
87.00823	1.0
91.05482	14.2
91.31844	0.3
94.68779	0.2
97.02892	4.9
99.04429	0.9
99.05106	0.3
105.07027	0.4
109.02884	15.3
119.04946	26.6
120.05264	0.5
121.10197	0.2
125.02326	0.4
127.03922	7.3
127.04806	0.6
129.01842	2.3
147.04411	100.0
148.04726	1.5
153.01831	0.6
159.08134	0.3
164.04239	0.3
165.05502	1.2
171.02834	0.3
187.07472	0.4
199.13536	0.3
213.03896	2.3
213.05452	0.2
227.07082	0.3
229.49771	0.3
231.06749	0.5
273.07553	0.5
291.08832	0.3
299.03976	0.6
377.08755	3.9
481.09866	2.1
481.32864	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	481.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
65.03933	1.3
68.99792	0.6
69.03439	0.4
69.51850	0.5
69.52275	0.9
71.04989	0.5
81.03417	6.1
85.02911	2.5
87.00843	1.3
90.48672	0.2
91.05482	11.8
96.55663	0.2
97.02893	0.7
99.04463	0.7
106.30605	0.2
109.02888	2.8
119.04946	26.4
120.05304	0.2
127.03918	7.1
129.01846	0.4
141.23553	0.2
147.04413	100.0
148.04744	0.7
154.40276	0.2
165.05516	0.7
213.03914	1.0
220.19403	0.2
236.57495	0.2
248.44608	0.2
335.07437	0.3
377.08533	1.0
481.09735	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	481.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01866	0.4
56.62342	0.3
57.03437	0.3
61.02930	0.5
65.03931	1.6
68.99784	1.1
69.03428	0.9
80.79285	0.3
81.03423	5.8
85.02915	3.3
87.00857	1.4
91.05489	11.1
97.02902	1.8
99.04449	2.7
99.16608	0.3
99.47421	0.2
105.01855	0.4
109.02892	4.0
112.25668	0.3
119.04949	25.7
120.05251	0.3
123.74741	0.3
127.03926	12.5
129.01839	0.7
136.52481	0.3
145.04924	0.7
147.04417	100.0
148.04762	1.0
149.55894	0.3
153.01857	0.4
165.05508	0.7
175.93867	0.3
213.03960	1.5
231.05038	1.0
299.04105	0.6
377.08643	0.9
481.09906	2.9
505.41605	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	480.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.1
57.03438	4.6
57.07073	4.6
62.06098	22.0
67.05520	12.2
69.07073	13.8
71.08609	3.1
71.58875	3.8
79.05500	5.5
81.07047	11.3
83.08624	13.5
91.05501	2.8
93.07064	5.3
95.08625	10.1
97.10186	6.2
98.98483	4.6
104.36472	2.5
107.08595	4.3
109.10187	8.1
121.10184	2.6
135.11713	5.7
137.87624	2.7
155.01056	6.2
177.24326	2.3
190.91855	2.4
209.37791	2.8
234.69585	2.4
308.29431	41.8
339.28967	100.0
426.76074	3.0
428.54965	2.2
434.28546	2.8
449.63873	2.7
481.14905	2.3
506.25931	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	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76576	1.5
53.03957	1.5
55.05513	4.8
56.89633	1.3
57.07072	3.0
61.02934	2.3
62.25716	1.6
67.05519	1.4
68.99799	1.8
69.03442	7.1
69.07064	22.6
70.19009	6.0
71.05042	1.9
71.08645	1.7
73.06575	3.3
73.88797	1.4
77.15783	1.9
79.05483	3.6
81.03421	8.9
81.07069	2.1
83.76781	1.4
84.13020	1.3
85.02914	4.6
85.56795	1.5
87.00834	5.5
89.06029	2.9
91.05484	11.7
96.21912	1.4
97.02903	15.4
101.02387	2.9
105.06996	1.7
109.02853	3.1
111.11735	33.7
111.12437	2.8
111.26036	1.6
113.02404	2.8
115.03915	3.4
119.04951	25.5
125.02361	11.4
125.09678	1.4
127.03933	10.6
129.01823	2.3
129.12755	25.6
143.03424	15.6
147.04419	100.0
160.89088	1.4
161.04416	8.2
166.60017	1.6
197.13322	2.8
199.16924	7.3
202.68759	1.6
209.08052	1.6
217.18076	2.4
229.03433	3.9
247.04507	17.1
377.08728	2.7
388.59131	1.5
410.11880	1.6
481.09744	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	480.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.3
55.01871	1.5
62.06076	0.6
65.03957	2.6
67.05515	0.5
70.88688	1.2
73.65982	0.4
75.04478	2.6
78.04718	3.2
79.05486	1.3
85.02931	2.2
89.03889	1.1
89.06020	1.1
91.05486	10.0
93.03416	10.8
93.07052	4.8
95.04987	4.0
97.06535	2.2
103.05482	4.6
105.04506	0.5
105.07008	1.3
106.04188	23.8
107.04993	2.7
107.31487	0.5
117.03362	0.9
119.04945	0.8
121.06515	23.8
123.04465	0.6
123.08047	0.7
124.05192	0.7
125.06000	6.6
131.04945	1.7
134.03630	3.9
135.04433	0.8
137.06013	3.1
138.06787	1.4
139.07552	2.2
145.02870	1.5
148.05226	2.5
149.05997	38.3
151.03862	0.6
151.07564	2.0
153.05487	1.7
153.09103	10.6
159.04420	0.6
163.03940	1.1
163.07550	1.6
165.05455	0.6
166.06232	1.1
167.07082	4.3
177.05496	21.5
178.96461	0.5
179.07027	0.5
181.08617	18.1
181.71968	0.6
191.07050	1.7
195.06624	0.9
209.08110	100.0
210.08722	3.4
369.13391	0.6
401.15662	0.5
499.22574	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	480.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47149	1.1
57.03417	1.5
63.85761	1.4
65.03933	2.6
69.03421	5.1
69.99339	5.3
70.06613	1.2
72.86735	1.3
81.03423	7.6
85.02901	7.0
93.03379	1.1
93.51117	1.2
94.75140	1.4
95.04964	5.0
97.02908	6.5
98.97577	1.5
99.04440	1.6
103.05081	1.2
109.02865	4.0
111.04415	2.0
115.03893	2.0
120.89747	1.1
121.02872	100.0
127.03912	2.9
139.03900	22.4
145.04953	1.6
169.04965	1.9
174.28047	1.1
252.16739	1.1
265.07101	13.6
283.08093	18.0
290.39774	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	480.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
53.94602	1.5
54.10695	1.2
55.01857	1.5
55.05510	2.7
61.02922	2.8
61.81037	1.3
63.00478	1.4
65.03934	2.2
67.05516	3.9
68.99787	3.1
69.03437	25.6
69.07083	12.8
71.04985	3.8
71.05360	1.5
81.03428	25.2
81.07049	4.1
85.02914	22.4
87.00858	7.5
91.05475	14.4
95.08612	3.0
97.02901	12.9
98.09682	2.7
98.20729	4.3
99.04450	13.5
105.01892	4.1
109.02894	23.0
109.10222	1.6
111.11726	1.6
119.04945	28.1
125.26368	1.4
127.03930	100.0
129.01808	1.9
145.04988	5.8
147.04428	97.0
165.09085	12.7
166.09445	6.1
177.13364	1.3
188.02710	1.7
197.04282	3.1
213.04010	6.5
231.05020	27.7
299.04031	3.1
305.32898	1.5
317.05148	14.3
335.06003	5.1
377.08542	1.8
399.89728	1.6
437.21439	4.1
481.09915	2.7
481.20459	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
53.53180	0.4
55.05508	1.7
57.06868	0.3
57.07077	3.2
67.05174	0.5
67.05510	7.6
69.03416	1.4
69.07073	2.4
70.78668	0.5
70.79003	0.8
72.27898	0.3
73.18657	0.3
79.05493	1.2
81.03411	1.0
81.07062	6.2
83.04966	0.6
83.08609	0.9
85.02907	1.5
85.06551	24.7
87.00843	0.5
91.05467	1.4
93.07063	2.6
95.08624	4.0
97.02927	0.4
97.10159	0.8
99.08102	1.0
105.07035	1.3
107.04962	0.5
107.08566	1.9
109.02883	0.8
109.06561	0.4
109.10162	6.9
111.04479	0.5
117.06983	0.4
119.08597	3.3
121.10126	1.1
122.07279	1.5
123.08108	0.5
123.11704	1.9
125.09623	1.6
127.03917	1.1
131.08565	0.6
133.10144	0.9
135.08049	0.4
135.11678	1.0
137.09630	10.9
137.13229	1.0
145.10139	0.7
147.08092	0.4
149.09618	1.0
149.13254	0.9
159.08020	0.4
163.03859	0.3
163.14815	0.6
165.09122	100.0
166.09450	1.5
171.13724	0.5
179.10793	0.7
205.12244	2.3
210.14972	0.6
279.26813	0.6
291.26859	1.4
297.27896	0.8
326.12665	0.5
327.13419	0.6
393.16956	0.4
425.34702	0.5
443.35141	2.4
468.30188	0.4
479.20285	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	479.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	14.4
55.01882	16.4
55.05512	38.5
57.03444	48.8
57.07049	4.0
61.02940	3.7
63.55825	3.0
65.03937	5.7
67.05510	100.0
69.03432	68.1
69.07077	30.3
71.01353	9.8
71.04991	11.9
71.11767	6.3
71.12096	3.7
73.02922	13.4
77.15105	2.8
79.05502	73.0
80.00014	3.3
81.03426	56.3
81.07062	96.2
83.04989	17.9
83.08621	14.5
85.02916	41.3
85.06526	3.8
87.04498	6.9
91.05485	71.9
93.07054	87.5
95.01341	3.8
95.04979	20.4
95.08617	69.6
97.02903	26.7
97.06541	10.8
97.10173	8.1
99.03896	2.9
99.04449	16.5
101.02396	4.8
103.03944	11.7
103.05447	6.9
105.07037	68.7
107.04953	10.3
107.08604	40.5
108.79914	3.1
109.02905	29.2
109.06528	12.2
109.10171	30.2
111.04451	14.0
111.08071	7.0
115.03938	7.2
115.05437	5.1
117.07035	35.1
119.04965	4.3
119.08576	49.6
121.06522	9.6
121.10159	35.0
123.04440	5.0
123.08093	10.4
123.11735	8.0
127.03929	31.0
128.06274	6.7
129.05487	11.8
129.07013	26.7
131.08574	48.5
133.06502	9.1
133.10149	32.5
135.08070	7.1
135.11713	27.6
137.09641	7.0
141.07007	8.8
143.08549	23.3
144.09395	5.0
145.04991	12.2
145.06505	9.0
145.10126	41.0
147.08069	13.7
147.11688	26.1
149.09618	7.4
149.13249	12.2
151.07483	6.2
155.08575	12.2
157.06493	5.0
157.10162	21.1
159.06750	3.9
159.08083	11.9
159.11676	29.7
161.09648	11.3
161.13272	15.1
163.11180	6.3
165.09171	3.2
167.08598	5.4
168.09326	3.5
169.10133	11.8
171.08150	6.7
171.11644	19.1
173.09662	8.2
173.13316	17.9
175.11183	7.0
175.14912	7.3
181.10098	4.8
183.06540	8.8
183.08031	3.4
183.11676	15.3
185.09601	5.0
185.13277	12.4
187.07524	3.4
187.11206	4.8
187.14818	6.8
189.12735	6.9
195.11826	5.8
197.13341	8.8
198.81235	3.0
199.11334	3.1
199.14839	9.4
200.59671	3.0
201.07541	4.7
201.12744	6.4
201.16521	4.4
203.10684	3.7
205.12296	4.0
209.13275	6.1
211.14856	4.0
215.14273	4.6
217.15756	4.1
227.14397	6.2
233.15636	3.9
259.20670	6.9
261.22141	8.2
271.17096	5.2
271.20813	3.4
273.22107	6.7
277.21677	4.7
283.20486	3.7
285.22223	9.4
289.21722	4.4
299.23718	4.8
301.21582	4.4
303.23090	5.8
315.23236	6.5
317.24753	5.9
323.23581	3.3
327.23285	11.4
335.25800	5.1
341.24753	11.5
345.24112	5.1
351.23221	12.8
359.25571	4.2
369.24286	31.2
387.25388	24.5
402.40021	3.3
405.26367	4.8
419.27878	3.7
431.27951	4.0
433.29959	3.2
443.28177	25.5
446.49023	2.9
449.29071	10.2
461.28986	51.9
479.30301	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.6
53.03916	0.5
53.63607	0.4
54.95229	0.4
65.03941	0.5
66.01077	1.5
66.05579	0.5
67.05495	0.8
69.03428	0.6
69.07079	0.6
71.59019	0.9
75.04471	0.9
78.39714	0.5
79.05490	1.0
80.02654	0.6
81.03407	1.1
81.07062	1.1
83.04949	1.3
83.08601	0.5
85.02876	0.9
87.64681	0.5
91.05474	0.7
93.07037	0.9
95.01338	0.7
95.08582	0.9
97.10167	0.6
102.43527	0.5
103.05467	1.9
105.07030	0.6
107.01286	0.7
107.04934	1.2
109.10121	0.6
111.04422	2.6
124.01569	2.0
127.03908	0.9
129.06952	0.5
131.05002	0.7
135.00716	0.6
137.05983	0.6
139.03903	23.7
145.10168	0.5
147.04387	1.6
149.13399	0.5
167.03404	100.0
168.03732	1.2
181.04997	1.0
185.04448	10.4
195.02892	44.4
196.03174	0.5
210.49150	0.6
213.03943	56.6
214.04248	0.7
245.08186	2.2
255.06541	1.1
271.73819	0.6
273.07535	1.5
281.88492	0.6
286.12570	0.5
287.09369	1.2
301.10684	0.7
315.08630	27.0
315.32242	0.6
359.11356	0.7
479.17041	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	479.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	10.9
55.01866	5.7
56.04704	2.2
57.02974	1.9
57.03432	6.7
61.02924	3.8
65.03925	3.0
68.99789	10.1
69.00145	2.1
69.03078	2.8
69.03433	40.5
70.93331	5.2
71.01347	2.6
71.04979	6.2
81.03419	59.6
83.04978	9.1
85.02425	4.0
85.02913	58.4
87.00832	16.2
91.05496	2.6
95.04975	4.7
96.02723	2.3
97.02906	16.8
99.04458	23.5
105.01852	6.7
107.04987	3.8
109.02892	47.0
111.04453	8.3
121.06500	2.6
123.04429	5.3
125.02332	3.4
127.03927	100.0
135.04457	2.8
139.24213	2.0
141.05475	3.3
145.04964	4.4
147.04420	2.8
147.06578	2.2
149.06010	6.8
164.07095	3.0
169.04979	8.1
171.02893	4.6
181.08549	3.4
187.05975	6.8
189.03947	11.2
209.08073	9.6
209.38438	2.4
213.03947	10.8
231.05020	8.9
238.21814	2.4
255.05069	4.1
273.06030	9.7
276.76840	2.4
461.09143	9.5
493.49292	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	479.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.3
55.01871	9.2
55.05501	4.0
57.03452	6.9
60.15926	1.4
61.02917	3.5
62.02875	1.5
67.05494	3.3
68.99787	7.8
69.03434	50.3
69.43590	10.2
70.00769	1.3
71.01357	3.9
71.04999	7.9
73.02924	3.3
81.03425	56.6
81.07082	1.5
83.01335	1.8
83.04986	16.7
85.02910	68.3
87.00836	22.1
90.83831	1.3
95.04981	5.4
97.02899	19.8
99.04458	16.8
101.02347	1.9
103.03937	5.7
105.01873	6.3
107.04942	2.0
109.02892	47.6
110.31934	1.4
111.04443	8.0
113.02414	1.4
121.02904	1.9
123.04447	6.3
125.02367	4.3
127.03925	100.0
129.01848	3.5
141.05478	1.9
145.04977	4.7
147.04491	1.5
149.02341	3.4
151.03909	4.2
159.02866	2.4
161.06020	2.1
163.30931	1.3
165.09096	4.3
169.04965	9.3
171.02908	3.9
181.04935	1.7
184.42906	1.3
187.06006	6.9
189.03963	12.9
205.05061	1.4
213.03928	12.1
215.05437	1.9
231.05048	9.5
231.10257	2.2
235.06062	3.2
253.07265	1.5
255.05025	4.2
273.06030	11.0
299.10327	5.2
312.21710	1.3
317.11407	8.2
321.06088	2.0
339.07153	4.2
402.93881	1.3
443.08331	3.4
461.09192	10.3
479.35913	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	479.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01935	3.5
69.94453	17.3
79.99574	3.9
84.30169	3.2
94.93024	7.9
98.21388	4.9
98.97582	3.9
99.83081	3.5
106.25523	3.4
109.76007	4.1
112.89622	72.6
114.89356	100.0
120.96669	8.2
136.94046	68.6
148.94078	8.6
166.95041	22.4
196.95146	35.8
214.89430	49.3
214.96339	7.1
226.96298	11.2
256.90451	57.1
256.97849	12.7
268.90616	7.8
286.91617	8.3
298.98395	5.6
316.92682	7.7
381.07965	51.4
403.05682	6.1
419.03662	35.9
478.97839	12.3
479.04251	5.6
479.14709	42.0
479.21097	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	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03938	1.3
55.01865	1.0
55.05516	10.9
57.01872	0.8
57.03420	3.9
57.07077	1.0
62.05792	1.9
62.06095	30.6
65.03947	1.9
67.05508	32.0
69.07076	14.8
70.72928	1.0
70.73277	2.2
76.21275	1.1
79.05498	9.1
79.65489	0.9
81.06582	1.5
81.07063	31.1
83.08648	5.4
91.05478	5.3
91.65150	1.0
93.07057	8.6
94.72690	0.9
95.04945	1.0
95.08611	21.1
97.06537	1.2
97.10165	3.1
98.06054	2.1
98.98462	9.5
103.37981	0.8
105.07008	2.9
107.08611	6.3
109.10164	7.9
113.13084	0.9
119.08551	3.3
121.10137	4.1
123.11678	3.8
124.01613	2.3
133.10146	2.1
135.11705	1.5
143.88948	0.9
147.11642	2.3
149.13210	1.0
155.01036	5.0
160.34607	0.9
161.13226	1.8
173.02090	1.2
198.05252	2.8
216.06345	2.2
245.22636	2.1
263.23676	6.0
283.58835	0.9
306.27927	22.4
319.26279	1.6
337.27377	100.0
338.27832	2.1
373.00671	0.9
417.23636	1.0
460.27948	3.5
478.29175	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	478.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63164	0.6
55.05501	1.2
56.05021	0.9
57.03419	0.8
58.06584	1.1
60.08165	16.7
64.48298	0.5
67.05508	4.4
69.07072	1.3
69.45627	1.3
69.46037	2.9
71.07380	7.4
79.05478	2.5
79.64351	0.5
81.07063	4.0
82.07431	0.6
83.08646	0.5
86.09708	53.8
91.05474	1.6
93.07058	2.1
95.08618	3.4
97.06481	0.7
98.98468	6.7
104.10748	100.0
105.07014	0.9
105.11037	0.9
107.08601	1.9
109.10167	1.0
113.00022	3.2
114.62910	0.6
115.24660	0.5
119.08584	0.9
121.10146	1.2
125.00010	34.0
133.10107	0.6
163.01529	0.5
167.35851	0.6
169.02661	0.8
184.07352	71.2
296.26819	0.6
335.25815	10.5
337.27338	0.7
405.04742	0.5
460.35611	2.2
478.36749	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	478.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31472	8.9
53.03957	15.8
55.01868	13.4
55.05497	9.6
56.70129	10.0
65.42410	9.5
67.05497	17.0
69.03422	36.7
69.07076	17.3
69.49810	73.2
72.18883	7.7
79.05486	31.3
81.03412	21.4
81.07071	24.1
85.02911	100.0
85.06560	9.6
87.00831	60.9
93.07070	65.2
95.08588	21.2
97.02892	50.7
97.66095	8.8
98.20797	16.8
99.04448	18.4
105.01870	87.8
107.08617	13.7
109.02858	29.6
109.10200	17.1
121.10143	30.9
127.03931	68.1
133.10121	23.2
135.11710	30.2
145.04968	38.2
149.13310	11.1
150.13672	9.6
159.02965	11.4
163.03897	10.2
164.04239	11.3
171.86610	10.9
177.12790	19.7
177.16353	32.7
186.36322	10.2
195.13843	19.7
213.14926	12.1
231.05016	20.4
239.40901	9.5
266.44708	9.8
285.07465	13.5
286.07834	39.4
432.02979	11.4
448.44821	9.2
468.93301	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	478.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.4
58.99583	0.7
65.83794	0.3
66.80598	0.3
67.04250	4.6
69.03429	0.9
70.19031	1.4
70.19400	0.5
72.10515	0.3
73.01137	1.0
74.00668	4.0
84.08150	0.4
85.02914	1.9
86.00681	1.0
86.09686	0.4
96.04522	0.7
97.02901	1.4
98.97593	0.4
100.02211	100.0
101.02496	0.4
102.05536	1.0
110.06041	0.6
114.05562	1.8
120.08135	0.4
127.03926	0.4
129.04851	0.4
130.05025	1.3
132.01111	1.0
138.05568	0.4
156.06523	0.8
157.04320	3.3
158.02731	4.3
166.08676	0.5
175.05391	2.9
179.96764	0.4
185.03792	0.6
203.04869	74.4
204.05124	0.5
213.06943	21.1
255.08159	0.7
276.10825	0.7
316.09644	18.1
317.10007	0.5
325.29501	0.3
358.10626	0.3
375.12372	2.5
381.90302	0.3
478.14813	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	478.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51049	10.8
55.05507	24.4
57.03451	12.4
67.05501	42.6
69.03423	28.8
69.07063	26.9
70.90460	12.3
70.90770	22.5
75.10019	11.1
79.05492	27.6
81.03411	26.3
81.07042	43.7
81.99498	12.4
83.08608	14.5
85.02907	49.6
87.00833	22.7
91.05470	32.9
93.07040	60.9
94.06554	15.2
95.08625	61.6
97.82433	12.5
100.11207	14.6
105.01856	33.4
107.08600	100.0
108.08122	29.9
109.10136	38.2
110.09669	19.5
120.04435	12.5
120.08105	21.3
121.10161	41.6
123.11694	11.4
125.09526	11.4
127.03921	25.6
135.11685	67.2
137.06026	11.9
138.05495	26.6
138.09125	41.1
144.04424	15.8
145.04967	13.4
163.04005	16.1
166.08653	59.6
172.03934	52.9
177.16383	83.0
190.05040	28.2
194.22444	14.0
195.17561	26.5
231.04970	14.5
237.10272	20.1
239.11667	13.1
265.09625	38.5
271.51541	12.7
293.08884	14.2
313.11789	32.6
318.39661	12.0
325.11771	41.6
353.11179	17.4
362.15109	13.3
386.24133	18.8
460.18378	15.2
460.27484	20.8
478.19623	36.7
478.28476	16.1
478.40030	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	478.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42435	0.3
55.01895	0.5
56.05011	0.3
58.99587	0.6
61.02926	0.5
67.04251	5.1
67.05494	0.4
68.05019	0.3
69.03423	1.1
70.06603	0.4
71.58121	0.5
72.04142	0.3
73.01141	0.6
74.00655	1.6
81.03449	0.4
85.02918	2.2
86.00652	1.1
97.02917	1.1
100.02203	100.0
102.05556	1.4
110.06053	0.5
114.05535	2.5
127.03950	0.5
129.04781	0.4
130.05002	1.1
130.06439	0.3
132.01154	1.0
138.05536	0.9
145.04964	0.6
146.02695	0.4
156.06592	0.9
157.04294	3.2
158.02727	4.2
175.05374	3.2
185.03789	0.9
203.04855	58.5
204.05101	0.8
213.06938	9.4
226.79079	0.3
241.06375	0.3
255.07979	1.0
276.10757	0.9
288.92392	0.4
316.09598	15.1
375.12253	2.4
457.79282	0.4
478.14902	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.7
55.01868	18.9
55.05515	75.5
57.03438	24.0
57.07090	3.3
59.05004	5.2
60.30487	3.3
65.03931	6.6
65.19779	3.2
65.74031	3.1
67.05510	82.9
68.30058	3.2
69.03434	11.9
69.07066	25.8
69.47887	15.3
69.48310	10.8
71.05000	7.8
73.82059	3.3
76.80935	3.4
79.05497	82.6
80.05858	4.0
81.03419	99.4
81.07059	90.2
83.04983	26.7
83.08628	53.4
85.02921	21.0
85.06549	5.4
91.05486	100.0
93.07050	55.5
95.04963	49.9
95.08615	42.6
97.02904	7.0
97.06538	19.0
97.10181	44.2
99.08095	5.9
102.93756	3.6
105.07030	69.4
106.07362	3.4
107.04961	50.1
107.08596	42.0
109.02886	3.9
109.06528	15.3
109.10147	23.8
111.04404	7.0
111.08092	19.5
113.06009	4.2
115.05421	4.3
117.07030	21.4
119.04936	26.6
119.08593	45.6
121.06519	30.7
121.10132	18.1
123.04404	8.1
123.08076	12.8
123.11700	6.9
125.09631	40.4
127.03924	4.4
128.06207	4.3
129.06995	28.9
131.04930	5.7
131.08575	31.1
133.06505	16.6
133.10112	29.0
135.04433	6.1
135.08060	21.2
135.11720	5.5
137.05902	4.9
137.09605	9.8
141.07013	6.9
143.08565	14.7
145.06490	21.2
145.10129	21.7
147.04422	97.7
147.08061	16.2
147.11719	26.7
149.09578	17.0
153.09090	6.9
155.08571	5.1
157.06499	4.7
157.10141	20.4
159.08073	7.4
159.11676	9.7
159.66519	3.3
161.05962	6.8
161.09636	7.9
163.03944	9.6
163.11227	5.4
165.09123	28.8
165.12738	7.0
166.09555	9.1
167.08589	4.5
169.10106	6.5
171.08015	5.9
171.10291	4.0
171.11737	10.9
173.09608	5.0
173.13194	8.8
175.11243	20.6
175.14804	4.1
181.10117	5.2
185.13193	6.1
187.11192	5.3
187.14836	3.8
189.09636	4.1
189.11240	22.1
189.12761	5.8
191.10669	9.4
193.12241	59.6
197.13251	4.1
199.11232	5.1
205.12277	9.4
211.11429	4.6
211.13263	31.8
213.12828	7.1
215.14313	4.4
217.12335	5.7
219.06197	3.5
219.70035	3.8
222.42003	3.3
225.12759	4.6
227.12805	12.5
229.05077	9.0
231.14032	3.8
233.15392	18.8
241.14308	5.4
249.14946	4.5
255.13867	6.2
259.13330	5.1
267.15952	25.1
273.14868	20.9
287.16196	4.8
291.15793	6.0
339.23145	12.1
341.21173	4.4
349.21487	21.7
357.24261	13.8
367.22665	65.4
385.23715	95.7
403.24884	31.7
409.23080	3.6
441.26208	6.1
459.21143	7.0
459.27432	90.0
459.33789	7.7
460.27689	4.7
461.81671	3.6
477.28461	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.4
55.01863	17.3
55.05515	68.3
57.03430	10.5
65.38136	5.8
67.05512	80.4
69.03421	12.6
69.07067	28.6
69.51422	20.3
69.51827	10.9
71.04988	6.1
74.87373	4.4
79.05495	72.0
80.24091	4.0
81.03428	60.7
81.07059	72.6
83.04950	12.3
83.08626	39.1
85.02882	9.7
89.03898	4.9
91.05492	54.2
93.07045	41.2
95.04993	33.6
95.08634	30.9
97.06531	10.6
97.10172	53.1
105.07036	39.9
107.04974	41.1
107.08582	31.9
108.41189	4.3
109.06521	18.3
109.10145	17.4
111.08058	8.5
117.03388	6.7
117.07027	20.7
119.08580	24.5
121.06512	35.0
121.10126	14.6
123.04403	10.0
123.08035	12.5
123.11710	7.2
125.09645	41.5
127.03901	5.4
129.07024	22.2
131.04926	7.2
131.08580	30.8
133.02779	5.2
133.06470	11.6
133.10127	11.9
135.04405	8.7
135.08064	12.4
137.06024	4.2
137.09576	8.6
141.06955	7.4
143.08545	13.0
145.06502	21.7
145.10097	16.1
147.04425	8.2
147.08031	13.2
147.11690	13.8
149.09628	5.6
151.07516	5.1
153.09099	11.7
155.08562	6.3
157.10138	11.4
159.08073	11.4
159.11646	9.3
160.05161	7.2
161.09511	5.9
163.03889	24.7
163.11151	7.5
164.04256	13.3
165.04474	9.3
165.09152	8.1
169.10130	8.9
171.08067	6.0
171.11719	10.4
173.09633	4.6
175.11229	14.6
181.10184	4.9
183.11659	4.9
185.13274	6.0
187.14806	5.3
189.09332	5.3
189.11212	27.6
189.12703	8.4
193.12267	36.8
194.16132	7.6
195.11668	7.7
197.13222	5.0
199.11172	5.3
201.12785	6.4
203.14340	5.6
205.12338	7.6
211.13206	9.7
212.17302	6.8
215.14276	4.1
222.06367	6.1
227.12735	12.1
233.15427	23.8
249.14949	5.6
251.06465	4.6
255.06424	6.9
256.06769	11.5
257.07050	9.7
267.15948	23.1
268.07214	26.4
269.07443	20.0
270.07919	22.9
273.14828	15.0
279.55075	4.5
295.06003	6.1
296.06216	8.0
297.06534	8.8
314.07336	4.8
315.07816	5.2
321.06555	5.7
339.23077	12.9
341.21274	6.1
349.06094	9.8
349.21603	20.1
357.24237	18.1
360.32190	4.2
367.22791	48.4
375.25256	5.8
385.23730	88.4
403.24753	36.8
413.09348	7.7
415.24762	5.1
431.10236	9.8
433.25833	15.4
459.27426	100.0
477.28482	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01869	3.8
55.05513	13.7
57.07058	3.5
59.63558	2.6
65.29425	2.7
67.05519	14.6
69.03432	10.4
69.07055	10.3
70.06585	7.4
70.85233	5.8
71.04979	5.2
72.08202	2.9
79.05500	14.5
81.03414	6.9
81.07062	35.1
83.04965	4.5
83.08611	6.0
84.08150	10.5
85.02905	11.7
85.06555	34.8
86.09713	4.1
87.00851	6.5
91.05489	11.4
93.07047	28.9
95.04949	3.9
95.08049	4.0
95.08623	53.8
97.02908	3.9
99.04443	8.1
99.08101	12.0
105.01840	4.9
105.07049	25.2
107.08609	62.3
109.02896	6.5
109.10140	24.2
111.08073	6.2
113.79543	2.6
115.15577	3.1
117.07023	21.0
118.07372	10.7
119.08594	59.5
121.01719	2.5
121.10158	14.9
123.08076	4.2
123.11722	11.2
124.17428	2.9
125.09636	13.1
125.72626	3.2
127.03896	8.7
130.08517	3.1
131.08591	4.4
133.10127	40.3
135.08034	5.6
135.11716	35.6
137.02344	7.3
137.06006	3.8
137.09599	12.4
145.02881	4.0
147.11711	6.6
147.40755	3.2
149.09615	3.4
149.13313	5.9
151.11218	3.8
155.10686	100.0
162.80864	3.0
163.07582	2.8
163.14839	58.7
164.07988	6.1
171.02162	3.0
175.14867	55.5
177.05418	3.4
177.09038	4.1
181.15878	9.6
186.84482	3.0
187.10927	3.1
191.14426	3.3
193.15898	65.5
195.10168	3.3
196.10423	4.7
199.16982	14.9
211.16946	55.5
223.09697	6.5
224.10020	4.1
229.18021	67.0
241.10701	4.4
242.11143	7.4
292.10748	3.2
339.93759	3.6
443.27490	3.2
477.07965	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	477.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01869	3.8
55.05513	13.7
57.07058	3.5
59.63558	2.6
65.29425	2.7
67.05519	14.6
69.03432	10.4
69.07055	10.3
70.06585	7.4
70.85233	5.8
71.04979	5.2
72.08202	2.9
79.05500	14.5
81.03414	6.9
81.07062	35.1
83.04965	4.5
83.08611	6.0
84.08150	10.5
85.02905	11.7
85.06555	34.8
86.09713	4.1
87.00851	6.5
91.05489	11.4
93.07047	28.9
95.04949	3.9
95.08049	4.0
95.08623	53.8
97.02908	3.9
99.04443	8.1
99.08101	12.0
105.01840	4.9
105.07049	25.2
107.08609	62.3
109.02896	6.5
109.10140	24.2
111.08073	6.2
113.79543	2.6
115.15577	3.1
117.07023	21.0
118.07372	10.7
119.08594	59.5
121.01719	2.5
121.10158	14.9
123.08076	4.2
123.11722	11.2
124.17428	2.9
125.09636	13.1
125.72626	3.2
127.03896	8.7
130.08517	3.1
131.08591	4.4
133.10127	40.3
135.08034	5.6
135.11716	35.6
137.02344	7.3
137.06006	3.8
137.09599	12.4
145.02881	4.0
147.11711	6.6
147.40755	3.2
149.09615	3.4
149.13313	5.9
151.11218	3.8
155.10686	100.0
162.80864	3.0
163.07582	2.8
163.14839	58.7
164.07988	6.1
171.02162	3.0
175.14867	55.5
177.05418	3.4
177.09038	4.1
181.15878	9.6
186.84482	3.0
187.10927	3.1
191.14426	3.3
193.15898	65.5
195.10168	3.3
196.10423	4.7
199.16982	14.9
211.16946	55.5
223.09697	6.5
224.10020	4.1
229.18021	67.0
241.10701	4.4
242.11143	7.4
292.10748	3.2
339.93759	3.6
443.27490	3.2
477.07965	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	477.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95414	0.5
52.68445	0.5
68.53835	0.5
70.06588	1.2
70.70388	0.5
71.58584	0.7
72.08167	0.8
85.02879	0.7
85.83419	0.5
86.09711	0.6
98.21617	0.4
105.07046	0.5
107.04955	0.6
116.07135	1.0
181.04900	0.6
275.06500	0.6
345.15329	3.0
426.59424	0.5
477.19458	100.0
478.19720	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	477.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
55.01869	5.8
55.05514	10.6
56.31691	3.5
57.03427	5.1
61.22982	2.5
63.47036	3.4
65.15485	2.8
67.05507	16.1
69.03429	9.3
69.07069	11.8
69.93967	4.7
69.94380	12.7
70.06606	8.3
71.04993	9.2
72.08138	2.9
73.02890	3.5
78.10345	2.8
79.05491	13.1
81.03424	13.1
81.07058	43.4
83.04975	7.3
83.08611	3.5
84.08148	12.6
85.02925	14.9
85.06551	37.2
87.00835	4.5
91.05489	13.4
93.07053	37.3
95.04975	6.4
95.08603	58.3
97.02907	7.2
97.06534	4.7
98.21485	4.6
98.97681	3.1
99.04469	10.4
99.08093	12.5
103.05454	4.7
105.07047	28.6
107.08601	63.9
109.02864	5.8
109.10150	23.1
111.08081	4.0
115.05457	5.5
117.07035	27.2
118.07367	13.6
119.08590	63.5
120.08121	4.8
121.10143	21.9
123.11700	7.9
125.06030	3.2
125.09641	12.0
127.03913	10.1
131.08568	8.3
133.10133	44.8
135.08078	8.5
135.11691	45.5
137.02364	6.3
137.09633	11.8
145.02835	3.2
145.17628	2.8
147.11650	6.0
149.13261	7.6
151.07552	3.6
153.05472	3.4
155.10675	100.0
163.07608	4.6
163.14838	52.5
175.14851	56.3
177.05440	5.8
177.09134	6.1
178.09476	5.0
179.03391	3.9
181.15894	7.5
191.14455	3.7
193.15903	69.2
195.10187	7.3
196.10509	6.5
199.16896	15.1
205.08604	3.4
211.16956	65.0
222.19382	3.1
223.09787	5.1
224.10056	4.5
229.18015	84.4
241.10672	7.5
242.11214	3.7
249.98721	3.0
349.61938	3.5
433.27957	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73228	0.9
53.03946	1.5
54.41319	1.0
55.05516	10.1
57.03427	3.5
62.06096	30.7
65.03930	2.5
67.05171	2.2
67.05511	42.2
69.07079	10.9
69.28201	1.1
69.88481	3.9
79.05504	21.8
81.07063	32.5
83.04967	1.9
83.08643	5.8
85.05317	1.6
91.05489	11.8
93.07061	24.4
95.04938	3.0
95.08617	26.5
95.09219	1.6
97.10173	1.4
98.06058	7.3
98.98470	10.4
105.07050	6.6
107.08601	13.1
109.10163	8.1
111.08084	1.2
117.07002	2.4
119.08596	7.1
121.10144	10.6
123.11735	1.9
124.01603	2.3
131.08575	3.8
133.10147	5.2
135.11720	5.5
145.10165	4.0
147.11697	4.4
149.13246	1.7
155.01047	3.0
159.11723	1.9
161.13223	1.6
163.14870	1.8
173.02142	2.6
173.13232	2.6
175.14920	1.8
197.16138	1.2
198.05313	2.0
216.06354	3.3
220.68689	1.1
243.21089	2.4
257.22443	1.0
261.22311	6.2
304.26367	65.3
311.85263	1.2
317.24728	1.9
335.25809	100.0
336.26205	3.1
422.23456	1.4
445.27786	1.2
458.26511	3.2
476.27676	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	477.1032
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
57.11235	0.1
59.67401	0.1
62.74567	0.1
69.65045	0.7
69.65457	0.4
88.40763	0.1
96.57034	0.1
97.43760	0.1
103.70253	0.1
153.01888	0.3
164.44490	0.2
173.16179	0.1
175.14801	0.2
211.38275	0.1
229.05064	0.3
258.05264	15.5
259.05582	0.3
286.04733	38.0
287.05124	0.6
301.07077	100.0
302.07422	1.6
416.71179	0.2
477.10306	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01865	1.7
55.05515	6.1
55.33869	0.8
57.03423	0.9
57.76368	0.8
67.05505	4.8
69.03423	3.4
69.07070	11.6
69.38491	2.0
69.38898	5.8
71.04968	0.9
73.02930	1.0
76.51373	0.9
79.05494	6.9
81.03430	5.2
81.07067	11.2
83.08646	5.7
85.02907	8.9
87.00833	4.5
91.05478	4.1
93.07059	14.1
95.08042	1.4
95.08613	17.2
97.02903	7.5
97.10162	1.2
98.21529	1.8
99.04436	1.5
105.01867	2.6
105.07038	10.2
107.08607	19.2
109.02881	3.9
109.06500	0.9
109.10163	9.1
119.08606	9.1
121.09313	1.3
121.10155	21.0
123.11677	1.0
127.03919	6.1
131.08600	1.6
133.10136	4.2
135.08069	5.2
135.11714	8.1
136.08397	2.7
137.09654	1.2
145.04944	3.0
147.11638	2.2
149.13269	4.0
159.02884	2.4
163.03920	1.6
165.09087	2.2
166.09473	1.7
175.14838	24.7
177.16399	100.0
178.16724	2.6
193.15855	3.4
211.17039	1.1
231.05034	1.3
458.33487	9.2
476.34518	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	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.05502	6.6
67.05503	10.8
69.03439	3.1
69.07070	8.8
69.46603	11.7
71.04959	1.8
78.45921	1.4
79.05492	8.9
81.07064	24.9
82.84561	1.5
83.08607	4.7
83.66547	1.7
85.02901	4.1
85.06518	1.8
91.05480	12.6
93.07043	21.1
95.08613	32.9
96.08955	1.9
97.02902	2.7
97.06541	2.5
105.01868	2.9
105.07037	41.1
107.08591	26.2
109.10161	19.1
111.08076	12.9
117.07001	3.8
119.08588	85.0
120.08977	2.0
121.10128	13.4
123.11708	3.1
127.03886	4.7
131.08568	2.4
133.10136	57.6
134.10452	2.5
135.08066	24.5
135.11697	19.8
136.08408	9.0
136.98732	1.4
137.09605	2.3
145.04935	2.9
145.10115	4.0
147.07939	2.1
147.11702	25.7
149.09615	3.7
149.13249	15.3
150.09935	2.1
159.11748	2.4
163.14815	11.4
165.09166	1.8
175.14835	100.0
176.15144	2.9
193.15898	92.8
194.16226	2.0
203.14342	1.5
208.09116	1.6
231.04874	2.0
284.10056	1.6
458.33496	40.0
476.34366	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.8
56.98819	4.2
58.09597	4.3
66.75482	3.7
68.65253	3.7
69.03429	9.1
69.07066	7.7
69.43639	4.3
70.81380	12.3
81.07043	7.8
82.06588	4.1
83.08615	4.7
85.02911	12.9
87.00807	6.1
90.00459	4.5
91.05473	15.5
94.06557	5.2
97.02907	4.5
99.04456	4.3
100.22446	3.9
105.01879	4.5
105.07033	21.4
107.08603	14.8
119.08585	83.1
121.10194	6.3
121.29173	4.2
127.03889	9.2
133.10144	32.6
135.11713	7.0
145.05058	5.1
154.08696	8.1
165.09186	6.0
175.14830	100.0
175.16298	8.5
198.11308	5.4
234.86307	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64788	0.7
53.03956	0.7
55.05508	1.8
57.07063	2.0
67.05511	8.4
69.07059	5.8
70.63532	1.0
70.63873	1.4
73.19615	0.6
79.05488	1.9
81.07065	5.5
83.08633	0.6
85.02901	0.8
85.06545	0.8
91.05483	4.7
91.49342	0.7
93.07069	3.9
95.08044	1.3
95.08611	16.3
105.06386	0.8
105.07034	9.7
107.08587	6.1
107.50861	0.6
109.06531	0.9
109.10163	19.1
112.45010	0.6
117.07024	1.6
119.08586	41.4
121.10153	2.6
123.08028	0.8
123.11723	1.4
127.05079	0.6
131.08568	1.7
133.10136	47.9
134.10883	0.9
135.11696	8.3
137.09593	7.9
145.10126	2.5
147.11700	9.6
149.13255	3.6
151.14842	3.5
160.12474	1.9
175.14832	100.0
176.15224	2.0
193.15887	26.8
194.16307	0.8
210.45311	0.7
258.05289	2.1
262.77893	0.7
286.04718	4.1
301.07053	10.7
311.45871	0.7
324.05167	0.9
331.39114	0.7
346.82712	0.8
428.38281	0.7
435.28070	0.8
503.01083	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	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	1.2
53.03955	1.4
55.01859	1.3
57.03439	22.6
59.05008	5.8
60.04516	3.1
60.58936	1.0
61.02919	1.3
66.46297	1.1
69.03432	81.7
71.01369	1.4
71.15014	2.3
71.15390	1.6
73.02906	1.8
75.04498	1.9
76.65565	1.2
79.05495	1.2
81.03427	3.6
85.02909	62.3
87.04472	58.6
91.04012	1.4
97.02898	64.9
99.04495	1.5
105.07035	8.7
109.02892	4.0
115.03932	92.2
124.05218	9.9
127.03900	7.2
129.06992	1.2
133.04973	100.0
133.06403	5.0
133.10139	2.3
137.05998	17.2
137.09584	1.4
144.06621	1.9
145.04965	11.5
145.06563	1.1
150.07655	13.0
154.08673	2.5
162.07654	2.3
163.06078	1.5
165.09117	37.1
169.04959	2.5
177.09152	1.5
180.08696	2.0
189.09161	3.8
195.35020	1.2
201.09146	4.2
204.17134	1.2
207.10184	4.0
231.10197	2.5
241.07100	1.4
243.10193	3.1
251.52557	1.2
259.08231	3.0
261.11176	2.1
277.09140	1.8
316.88361	1.1
346.23676	1.4
378.17609	1.8
417.49603	1.1
485.12320	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	476.1921
Annotation	Dauricoside
Peak:m/z	Relative Intensity
53.03938	1.3
55.01869	0.4
69.03431	0.6
70.23911	0.7
70.24297	0.7
77.03948	0.6
85.02888	1.3
86.06070	0.4
86.17976	0.4
89.03921	3.7
91.05482	6.3
92.21801	0.4
93.07055	8.7
95.04944	2.0
95.08578	0.5
97.02899	1.0
97.06541	0.5
99.08096	0.4
103.05480	6.3
107.93362	0.4
117.03389	15.8
119.04978	0.7
121.06514	48.2
122.06826	0.4
122.67079	0.4
127.03963	0.6
131.04962	0.5
133.10156	0.5
134.03606	0.8
135.04420	0.9
136.05177	0.5
145.02853	53.1
146.03181	0.9
147.04517	0.6
149.05981	4.9
162.03050	0.4
163.03961	0.8
168.10492	0.4
177.05484	100.0
178.05879	1.0
186.05547	0.6
192.14671	0.5
194.08134	1.1
199.28906	0.5
209.15384	1.6
210.15738	2.8
227.16510	0.5
228.16679	0.8
285.27090	0.4
314.13879	82.4
315.14120	2.3
400.28833	0.5
475.32172	0.7
476.19278	2.3
476.32919	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	475.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	39.6
62.14468	13.6
65.03964	14.9
67.05501	63.7
67.49638	11.4
68.93950	13.1
69.07076	27.2
70.54018	46.5
79.05502	61.1
81.03441	25.2
81.07047	65.8
83.04990	39.9
89.03934	16.3
91.05505	100.0
93.07071	70.5
95.04980	28.4
95.08617	81.5
105.07050	69.6
107.04956	34.4
107.08630	79.7
109.10164	46.9
119.08592	84.8
121.06464	20.6
121.10152	52.0
123.04417	23.5
123.08089	14.5
129.06987	15.1
131.08575	22.8
133.06551	14.1
133.10155	43.7
135.04427	21.4
135.11716	30.1
143.08617	15.1
145.02939	19.6
145.10184	33.0
147.04390	13.9
147.08041	16.7
147.11681	37.7
149.13185	12.0
159.11636	22.3
160.89253	12.0
163.03905	91.8
163.11185	39.5
169.85715	13.0
171.11743	18.1
173.13280	30.7
175.11208	18.6
175.14853	30.0
177.16382	17.4
187.14943	26.8
191.14323	13.5
193.12276	17.9
203.14397	24.3
205.15860	32.6
219.13898	23.9
227.83585	12.4
235.17072	25.5
236.91292	13.0
249.05177	11.7
249.81711	13.6
255.06535	26.1
267.06610	26.0
268.07285	71.8
295.05954	17.0
439.32306	37.9
457.32993	15.0
475.26935	45.2
475.33829	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	475.3422
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.05509	20.6
57.07071	9.4
65.38042	8.4
67.05513	48.5
69.07050	28.2
70.78164	27.1
70.78514	10.8
79.05486	29.0
81.07075	72.8
91.05509	47.0
93.07056	69.1
95.04988	11.4
95.08606	99.6
105.07046	78.2
107.08607	62.2
109.10173	56.3
117.07056	19.0
119.08601	100.0
121.06539	11.5
121.10157	58.9
123.08031	12.3
131.08572	34.2
133.10155	54.5
135.08089	12.3
135.11708	22.0
143.08566	11.2
145.10126	56.6
147.08020	16.9
147.11702	39.4
149.09621	11.7
149.13219	19.6
157.10094	19.0
159.11708	53.1
161.09593	14.1
161.13255	32.7
163.11182	13.8
163.14796	21.0
165.09102	14.4
169.10097	13.0
171.11665	15.9
173.13290	54.6
174.92992	9.4
175.14810	48.3
177.16373	33.0
183.11646	15.0
185.13242	22.8
186.61183	10.3
187.14799	18.1
189.16418	18.1
191.14340	20.3
199.14914	22.9
203.14343	76.1
203.18021	13.9
205.15941	47.8
213.16376	12.9
215.14296	13.5
217.15860	26.3
221.15395	39.0
235.16969	34.0
261.25873	10.3
403.30023	16.2
421.31055	37.7
439.32205	25.3
456.21161	10.0
463.06000	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	475.3424
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.03945	2.4
55.05508	7.2
67.05511	11.3
69.07066	8.3
70.75703	4.0
79.05506	8.6
81.03452	2.1
81.07069	18.0
83.08620	5.5
85.06532	2.8
91.05486	9.7
93.07053	17.6
95.04996	3.2
95.08614	24.0
99.08096	2.4
105.07047	13.9
107.04969	2.5
107.08610	25.4
109.06512	4.1
109.10168	17.5
111.08111	2.9
117.06989	3.6
119.08594	20.7
121.06520	14.4
121.10149	23.4
123.08045	2.7
123.11703	6.6
131.08580	9.2
133.02921	1.8
133.10144	19.5
135.08051	11.7
135.11731	10.8
137.09622	4.1
143.08580	4.2
144.09372	3.1
145.06480	2.1
145.10143	15.4
147.08046	3.6
147.11719	8.5
149.06010	8.3
149.09608	4.6
149.13297	9.4
157.10114	4.4
159.08046	3.9
159.11719	20.1
161.09676	3.7
161.13289	7.3
163.03920	10.2
163.11226	4.3
163.14868	1.8
165.09117	11.2
169.10159	2.1
171.08102	2.3
171.11710	5.5
173.09650	3.3
173.13277	13.6
175.11188	3.4
175.14850	6.1
177.12741	4.0
177.16406	4.4
181.12343	1.7
183.11678	6.4
184.18983	1.7
185.13269	4.4
186.10321	4.3
187.11177	3.0
187.14854	5.1
189.12764	6.1
189.16403	6.1
199.11244	7.9
199.14879	2.6
201.12785	22.1
201.16356	1.9
203.14310	14.9
203.18019	2.5
205.15869	6.2
205.19556	3.1
215.14369	11.6
215.17873	9.7
217.15866	3.1
219.13795	4.7
229.16026	1.8
231.17470	5.0
233.15411	2.1
233.18973	2.9
257.19138	2.0
265.19482	2.3
278.06021	1.9
359.25784	10.7
383.26028	15.2
403.29871	4.7
411.32480	2.2
421.31015	16.0
439.32172	16.5
457.33170	100.0
458.33401	3.0
475.34009	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	475.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01882	6.9
55.05506	34.4
56.51500	7.1
67.05509	50.6
67.80010	6.7
69.03439	11.5
69.07069	21.7
69.26140	14.4
69.26540	65.8
71.04990	11.5
76.65617	7.6
79.05501	49.1
81.07063	76.4
83.04998	57.2
83.08607	26.8
91.05479	57.2
93.07066	60.0
94.07401	7.9
95.04969	16.5
95.08617	86.8
97.06540	11.8
105.07040	65.5
107.04956	17.3
107.08611	88.2
109.06520	9.3
109.10171	64.4
111.08047	8.2
117.07003	18.8
119.08592	67.4
120.08949	11.9
121.06515	26.1
121.10165	52.1
123.04433	13.6
123.08071	8.3
123.11708	18.5
125.09642	26.4
131.08589	19.8
133.06467	8.8
133.10143	57.9
135.04434	18.0
135.08054	23.9
135.11696	29.7
137.09622	15.6
141.35382	7.3
142.07709	10.5
143.08589	17.7
145.02843	10.1
145.10129	42.0
147.08063	19.9
147.11708	30.5
149.05933	9.6
149.09615	15.9
149.13293	16.9
157.10141	24.8
159.08040	15.7
159.11751	42.4
161.09650	21.3
161.13327	18.7
163.03926	62.5
165.09138	88.5
169.10182	11.6
171.11732	8.6
173.02260	11.1
173.09683	9.3
173.13275	28.9
175.11078	14.7
175.14841	25.9
177.12820	11.5
183.11548	8.8
185.13268	22.5
187.14874	14.8
189.12805	10.7
189.16475	14.1
191.14333	13.7
197.04321	8.1
197.13281	11.0
199.11317	10.5
199.14870	12.3
201.12747	31.7
201.16408	13.1
203.14339	48.5
205.15886	17.9
213.16368	9.1
215.14464	11.0
215.17982	14.8
217.15839	18.0
219.13795	54.6
221.05952	8.5
223.07364	9.4
229.15994	7.4
235.17110	8.6
243.17419	9.2
253.05121	7.8
255.06673	11.5
255.17606	10.0
267.06317	12.5
268.07318	22.2
295.05896	13.8
313.06903	9.7
317.09918	10.7
319.05930	11.3
334.24289	12.1
339.26846	11.1
381.28107	9.9
383.26205	9.7
403.30029	17.4
421.30936	80.1
427.31039	27.5
432.62149	9.8
439.32266	100.0
457.33081	67.6
475.27393	11.8
475.33414	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3415
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.05509	19.4
55.87384	5.9
67.05497	29.2
69.07064	23.5
70.35800	6.9
70.53261	21.9
70.53610	7.3
79.05494	25.6
81.07057	53.4
83.08607	9.0
87.35788	5.9
91.05491	27.6
91.65897	6.8
93.07044	55.2
94.23512	6.3
95.04942	9.0
95.08612	100.0
97.10204	9.0
97.80951	6.4
105.07033	67.1
107.08601	72.9
109.06481	11.4
109.10163	63.4
111.08085	9.4
117.07005	14.7
119.08585	98.8
121.06539	13.6
121.10163	53.1
123.08056	11.6
123.11729	13.4
131.08572	45.5
133.10133	66.7
135.08089	27.9
135.11760	36.9
137.09613	9.1
143.08601	12.8
145.10107	43.5
147.08087	11.5
147.11702	37.2
149.09628	12.8
149.13243	19.1
157.10138	27.8
158.10928	11.5
159.11662	39.5
161.09651	21.0
161.13200	32.7
163.11186	15.2
163.14816	17.3
165.09126	10.1
167.10722	9.1
171.11673	16.3
173.13274	68.2
175.11185	11.2
175.14870	54.8
177.12872	8.0
177.16302	6.9
185.13290	32.8
187.11217	7.6
187.14847	20.7
189.12738	10.0
189.16370	25.5
191.14345	47.7
197.13283	9.1
199.14771	13.7
203.14368	49.8
205.15968	18.5
213.16435	9.3
217.15926	34.1
221.15334	57.6
225.16248	8.0
235.16890	42.7
237.16548	6.8
240.41313	7.0
339.22906	6.6
406.61398	6.2
409.31000	13.1
421.30948	17.1
439.32114	35.2
457.32739	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	475.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01875	0.5
55.05516	2.5
57.07066	0.7
67.05515	6.0
69.07074	3.5
69.94939	1.7
77.03939	0.5
79.05499	2.8
81.03415	1.9
81.07067	6.7
83.04993	0.6
83.08611	1.6
85.02882	0.6
85.06520	0.6
89.03916	0.6
90.84038	0.5
91.05494	2.6
93.07045	4.7
95.04961	1.3
95.08617	6.9
97.06552	1.0
97.10166	1.6
99.08087	0.6
105.07059	3.0
107.04955	0.9
107.08610	4.2
109.06516	0.8
109.10174	7.7
111.08053	0.5
111.11781	0.6
117.07048	0.9
119.08599	5.8
121.06569	1.1
121.10159	3.8
122.07283	2.1
123.04428	1.1
123.08097	1.0
123.11729	3.6
125.09694	0.5
129.06990	0.7
131.08562	1.6
133.10135	1.8
135.04436	1.2
135.08072	1.7
135.11720	2.0
137.02371	0.4
137.09627	11.9
139.11139	0.7
143.08626	1.0
145.02881	0.8
145.06422	0.5
145.10161	1.8
145.53000	0.4
147.08070	0.7
147.11710	1.4
148.07588	1.1
149.09627	5.2
149.13298	2.7
151.11192	1.0
153.12778	0.8
157.10144	0.6
157.12175	0.6
157.81445	0.4
159.08028	0.8
159.11693	1.0
161.06006	0.6
161.09648	0.8
161.13301	0.6
163.03943	5.3
163.11223	1.2
164.04326	0.6
165.09134	100.0
166.09468	1.5
171.11578	0.4
173.09651	1.1
173.13214	0.8
175.11259	1.5
175.14841	0.7
177.09172	0.8
177.16441	0.5
179.10667	0.6
187.11238	0.6
187.14682	0.5
189.12727	2.3
189.16374	0.5
191.10709	0.5
191.14363	0.4
199.11172	0.6
201.12787	1.6
203.10689	0.8
203.14406	1.7
205.12270	6.2
213.12825	0.5
215.14304	0.9
215.18053	0.8
219.13783	0.5
227.12787	1.1
228.04816	2.5
237.18625	0.5
252.08771	0.9
295.05969	0.8
305.21484	0.6
305.24701	2.4
383.21948	1.9
401.23413	1.2
411.32840	0.6
421.30890	0.7
439.32147	3.8
457.26236	1.1
457.33133	8.7
458.13635	0.5
475.10031	1.0
475.26926	2.8
475.33109	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	475.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93410	11.9
55.05508	28.5
58.25336	12.1
60.78062	10.8
62.32237	10.4
67.05506	57.7
69.07084	29.6
69.41327	71.2
69.41733	32.2
77.32835	10.6
79.05492	44.8
81.06648	11.6
81.07061	78.7
83.08621	26.9
83.96301	11.1
91.05484	44.0
91.85500	13.9
93.07053	68.3
95.08602	100.0
97.06531	12.3
105.07037	99.7
107.08607	75.5
109.10157	77.2
117.06979	23.7
119.08585	82.7
121.06481	19.3
121.10116	56.8
123.11668	21.5
131.08572	42.7
133.10143	76.0
135.08034	61.7
135.11700	37.3
143.08592	13.1
145.10175	58.6
147.11676	49.8
149.09688	14.9
149.13301	18.2
157.10120	30.7
159.11662	55.1
161.13234	24.2
163.03912	45.2
163.11160	16.1
163.14850	20.3
165.09160	38.8
171.11665	24.0
173.13281	42.8
175.14806	48.8
177.16373	49.2
185.13315	19.1
187.14850	32.6
188.53870	11.9
189.12715	15.4
189.16322	22.2
191.14381	23.4
199.14836	13.6
203.14380	90.4
205.15797	56.6
217.15895	31.7
219.13739	20.1
221.15479	20.5
231.17636	14.7
235.16928	41.0
268.07324	27.7
303.16559	12.9
321.22241	11.7
336.04712	11.0
377.83783	11.7
385.89127	13.4
403.29388	13.8
411.35577	14.7
421.30890	35.8
439.32208	35.7
457.32959	60.7
475.34320	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	475.3426
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.03951	1.1
54.98859	0.6
54.99104	0.6
55.01873	1.7
55.05519	4.9
57.03444	0.8
57.07074	0.8
59.04980	0.6
67.05508	6.7
69.03420	1.4
69.07070	3.7
71.08194	1.5
79.05499	6.5
80.10813	0.6
81.03417	3.5
81.07072	8.5
83.04988	2.1
83.08613	2.1
89.03925	2.9
91.05492	9.3
93.07056	9.0
94.15945	0.6
95.04965	3.1
95.08616	10.6
97.06530	2.4
97.10186	2.4
103.05546	0.6
105.03468	0.7
105.07040	9.8
107.04959	3.3
107.08602	7.6
109.02905	0.9
109.06545	1.3
109.10160	5.8
111.04493	0.8
111.08102	0.7
115.05445	1.2
117.03367	3.0
117.07024	2.7
119.04916	1.0
119.08591	9.1
121.02853	0.7
121.06505	3.3
121.10161	5.5
123.04440	3.9
123.08073	2.0
123.11716	2.1
125.09648	1.7
129.07014	2.3
131.04982	1.1
131.08588	5.2
133.02798	1.5
133.06473	3.0
133.10158	6.3
135.04448	6.1
135.08064	77.9
135.11705	2.3
136.04762	0.8
136.08415	0.7
137.02396	1.6
137.06029	0.8
137.09650	4.0
139.11118	0.6
141.07034	1.1
143.08565	2.4
145.02895	4.1
145.06500	1.1
145.10146	6.4
147.04474	1.5
147.08061	7.1
147.11705	2.8
149.09636	11.0
151.03943	1.0
151.07495	0.7
153.12808	0.8
155.08525	1.0
156.09351	0.8
157.10141	3.5
159.08098	2.3
159.11710	2.8
160.05257	2.0
161.02365	1.7
161.06009	2.2
161.09625	5.2
161.13286	1.5
163.03922	27.6
163.11217	2.4
163.14883	0.8
164.04263	2.4
165.06969	1.1
165.09132	21.0
166.09480	2.4
167.09723	1.0
169.10175	1.2
170.10994	0.8
171.08076	0.6
171.11725	2.7
173.02376	1.8
173.09660	2.4
173.13205	3.0
175.11224	2.8
175.14842	2.2
181.06621	0.9
183.11658	1.5
185.09682	2.2
185.13293	2.8
187.11234	2.0
187.14807	1.4
189.12787	1.1
189.16431	0.6
191.14389	0.8
193.10283	0.9
193.12270	1.3
195.11790	0.8
197.09766	0.8
199.11226	1.2
199.14870	1.3
201.12770	1.9
203.14357	9.0
205.12231	1.1
205.15894	0.9
209.11703	0.8
211.14786	0.9
213.12720	1.5
215.14301	1.5
217.15929	2.5
219.13774	0.8
221.05992	1.9
222.06804	1.1
223.07648	0.7
227.12694	1.3
229.12288	1.2
231.13983	0.8
237.05490	1.1
239.07158	1.4
247.13306	1.7
249.05473	1.2
250.06267	1.0
251.07248	0.9
255.06506	2.5
265.05029	0.9
265.16119	0.8
267.06549	1.9
268.07373	6.8
269.08157	1.2
289.14331	1.2
291.06577	1.1
295.06073	6.2
303.06323	0.6
305.24792	0.8
313.07111	1.9
319.06131	1.4
347.05695	1.2
355.22754	0.9
365.21143	1.0
383.22189	4.5
401.23178	1.4
411.08832	1.3
427.08148	1.1
429.09808	1.5
443.96185	0.7
457.33154	100.0
458.33466	2.8
475.19974	1.0
475.26956	9.6
475.34268	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	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53900	1.5
51.02360	2.2
53.03943	8.7
55.01855	4.7
55.05271	1.6
55.05514	24.5
57.03422	5.6
57.07068	3.4
65.03931	6.1
67.05506	90.8
69.03417	2.2
69.07069	27.1
71.04990	3.8
73.06540	1.7
77.03911	1.5
79.05495	95.1
81.03415	11.0
81.07060	100.0
83.04992	14.7
83.08617	17.7
85.02855	1.4
85.06541	4.8
91.05482	70.7
93.07047	98.1
95.04980	24.6
95.08600	38.2
96.08971	1.3
97.06535	12.4
97.10167	4.7
98.21533	2.5
99.08096	3.1
105.04524	2.7
105.07030	44.4
107.04915	6.9
107.08600	38.0
109.06500	8.4
109.10151	8.5
111.08089	7.9
115.05406	2.4
117.07020	16.2
119.08585	24.5
121.06481	3.6
121.09404	1.7
121.10143	15.1
123.08092	4.5
123.11732	2.3
123.54287	1.5
127.07555	3.3
128.06213	3.9
129.07004	15.4
131.08580	9.7
133.10147	17.0
135.08035	2.8
135.11671	8.4
141.09081	1.5
143.08565	8.9
145.10121	11.1
147.08052	2.5
147.10628	2.6
147.11687	30.0
149.13258	27.1
159.11705	10.7
161.09589	4.6
161.13223	11.0
163.11156	2.5
171.11702	25.7
177.12737	4.1
189.12776	13.3
195.13831	8.7
203.17963	2.1
207.13802	27.0
214.81090	1.5
225.14845	3.6
229.26767	1.7
301.89795	1.6
335.26065	1.6
379.94482	1.6
442.38507	1.5
457.29053	3.2
475.30490	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.4
53.03951	10.4
55.01869	5.2
55.05518	27.6
57.03434	5.2
57.07076	2.5
60.92105	1.2
65.03948	4.4
67.05513	89.2
67.52317	1.2
69.03424	1.8
69.06715	1.7
69.07078	24.8
71.01352	1.9
71.04993	6.3
75.17355	1.1
77.03943	2.5
79.05503	96.4
81.03439	9.4
81.07068	100.0
83.04993	18.3
83.08633	17.5
83.68771	1.1
85.06561	4.3
91.05493	69.7
92.28369	1.2
93.07058	90.1
95.04980	24.6
95.08620	37.7
95.09231	1.7
97.06528	11.6
97.10175	2.8
98.20767	3.1
99.08091	3.4
103.05484	1.7
105.04534	3.2
105.07045	45.2
107.04978	5.5
107.08608	39.0
109.06552	6.0
109.10157	8.0
111.08094	5.4
115.05482	2.9
117.07032	14.1
119.08588	24.2
121.06535	2.6
121.10175	14.2
123.08076	4.7
123.11719	2.2
125.09691	1.6
127.07570	2.7
128.06259	4.2
129.07024	15.5
131.08585	12.2
133.10153	16.7
135.08031	2.6
135.11707	8.7
137.09663	1.9
141.09140	1.7
143.08620	7.5
145.10104	12.1
147.08038	2.8
147.11707	29.7
149.13268	21.9
159.11716	14.4
161.09653	3.9
161.13252	10.7
162.45244	1.5
163.03873	1.5
163.11226	1.4
169.10078	1.6
171.11725	25.7
173.11264	1.2
177.12772	5.3
179.14328	1.5
185.13290	1.7
187.14738	1.4
189.12775	10.7
195.13873	8.5
207.13821	25.3
225.14897	3.4
269.17630	1.5
281.17432	2.1
335.25754	1.9
475.30588	69.2
476.31003	1.5
480.25952	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	475.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.6
53.62966	1.7
55.01873	9.5
55.05267	1.8
55.05519	32.9
57.03434	5.7
57.07079	3.1
65.03956	2.1
67.05507	41.4
68.33327	1.6
69.03439	5.3
69.07076	9.5
71.05000	5.3
71.06840	1.8
72.62386	1.8
79.05498	43.7
81.03433	17.1
81.07063	40.3
82.08581	1.9
83.04996	8.2
83.08628	14.9
85.02923	1.7
85.06558	2.9
89.03933	5.8
91.05486	28.6
93.07060	27.8
95.04977	17.9
95.08604	23.1
97.06537	3.8
97.10172	18.9
98.14417	1.8
99.08115	2.5
103.05486	3.7
105.03448	2.4
105.04553	2.0
105.07041	24.6
107.04961	14.8
107.08588	20.6
109.02889	7.4
109.06536	7.2
109.10157	19.2
111.08092	3.4
115.05489	2.8
117.03403	5.4
117.07039	13.3
119.04942	6.5
119.08580	22.0
121.02844	1.9
121.06525	15.2
121.10159	13.0
123.04440	13.3
123.08082	8.1
123.11736	4.7
123.70350	1.8
125.02399	5.1
125.09650	16.7
129.07007	12.2
130.07785	1.9
131.04982	8.8
131.08591	13.4
133.02864	2.3
133.06479	10.3
133.10117	12.6
135.04454	14.6
135.08089	10.8
135.11702	5.3
137.02359	2.7
137.09628	6.0
141.07042	5.7
143.08534	11.5
145.02832	5.4
145.06509	12.1
145.10146	15.5
147.04433	17.0
147.08093	11.2
147.11734	6.9
149.06010	4.8
149.09651	6.5
149.13278	3.8
151.03954	2.1
151.07471	1.9
153.09094	2.0
155.08585	10.3
157.06512	6.3
157.10138	8.6
159.04471	6.5
159.08054	10.2
159.11691	9.6
160.05251	10.0
161.02420	3.9
161.05997	32.4
161.09644	6.6
163.03911	46.1
163.05219	3.4
163.11136	8.8
164.04314	5.7
165.07060	3.1
165.09151	16.5
167.08598	3.2
169.06540	2.1
169.10136	5.7
171.08105	8.5
171.11703	3.4
173.02423	4.6
173.06007	7.3
173.09621	10.4
173.13258	3.2
175.07568	2.7
175.11215	5.4
177.12785	2.3
181.06526	2.4
181.10106	2.4
183.08060	2.6
183.11700	5.5
185.09698	4.0
185.13303	4.9
186.10411	2.3
187.07611	5.3
187.11229	3.2
187.14841	4.2
189.09286	1.9
189.11240	5.7
189.12724	2.0
191.03445	3.7
191.10748	2.9
193.10324	2.8
193.12318	6.1
195.08084	4.3
197.06029	3.0
197.09702	4.2
197.13301	3.2
199.07542	2.5
199.11209	5.0
201.12759	9.6
201.16226	1.9
203.10588	2.5
203.14317	6.6
205.06641	2.8
205.12260	3.9
205.15913	3.0
209.09778	3.6
211.07558	3.2
211.11292	5.0
213.12862	3.7
215.14352	4.9
215.17970	3.1
219.13794	3.9
221.06075	5.6
222.06781	2.5
223.07579	2.4
225.12798	3.2
227.12711	2.9
231.13866	6.8
237.05586	2.0
239.07202	4.0
239.10654	2.1
243.13913	5.9
249.05479	2.7
250.06258	2.7
251.07062	3.8
253.12180	3.0
255.06538	12.2
257.15359	2.8
259.13159	3.1
267.06656	9.8
268.07349	27.7
269.07959	3.3
269.15369	5.1
271.13339	7.0
273.14905	7.0
285.15134	2.5
289.14331	18.9
291.06491	3.8
295.05914	13.0
296.06750	2.1
303.15906	4.5
313.07111	5.2
319.06009	4.9
337.08911	3.0
337.21613	3.3
347.05698	6.2
347.20123	4.1
355.22592	5.2
359.25803	3.5
365.21173	18.7
383.22128	79.0
384.22629	4.4
395.22049	2.1
401.23291	30.6
403.22787	2.3
411.08643	3.4
419.24231	4.9
421.23978	5.3
421.31079	5.8
429.09818	6.6
431.24374	8.2
439.08209	2.6
439.24951	9.9
439.32211	7.3
457.25912	58.9
457.33154	34.2
458.26086	2.2
475.26974	100.0
475.33313	6.6
476.27109	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	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01865	0.8
55.05511	1.6
57.03436	0.6
57.07077	0.4
59.70948	0.3
61.02925	0.6
64.82552	0.3
67.05497	1.1
69.03432	3.5
69.07061	1.1
70.06552	0.4
70.74245	0.5
70.74625	0.8
71.04987	0.8
72.08144	0.3
73.02918	0.6
79.05494	1.3
81.03426	1.7
81.07072	2.0
83.01347	1.1
83.04983	2.1
83.08624	1.1
85.02915	4.8
85.06564	1.0
87.00846	2.5
89.03937	0.4
91.03992	0.3
91.05489	1.4
93.07037	3.2
94.90771	0.3
95.04989	0.4
95.08598	1.8
97.02882	2.0
97.06541	1.5
97.10175	0.3
98.20747	0.4
99.04461	1.4
99.08104	4.1
101.06018	1.1
103.05486	1.0
105.01879	1.5
105.07038	1.6
107.08602	3.9
109.02893	1.7
109.06509	0.8
109.10159	1.9
111.08095	1.2
117.03394	1.4
117.07069	0.7
119.08616	1.1
121.06526	3.4
121.10141	5.3
123.08059	1.3
123.11711	1.2
125.09631	2.5
127.03918	3.4
131.04945	1.1
131.08549	1.2
133.10146	3.4
135.08063	1.6
135.11685	1.1
137.09618	1.2
137.13275	0.8
139.07552	1.3
139.11179	2.1
145.02887	3.6
145.04898	0.8
145.10204	0.5
147.11601	0.5
149.05977	0.4
149.09648	5.2
149.13266	1.5
151.11179	2.2
153.09155	0.6
155.10651	0.6
159.02940	1.1
163.03877	0.3
163.14861	1.9
167.14381	0.8
173.13338	1.6
177.05470	6.6
177.09012	0.4
181.15909	0.6
191.14346	4.1
197.15338	0.4
209.15382	33.4
211.17029	0.5
227.16451	7.0
231.05139	0.5
250.01549	0.4
286.32950	0.4
314.13889	5.2
457.31506	0.8
475.32565	100.0
476.33066	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	475.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35490	0.3
59.82601	0.3
65.03940	0.8
66.68449	0.3
67.05487	0.5
67.14182	0.3
69.90332	1.1
69.90745	0.7
72.45764	0.3
74.14539	0.3
79.05482	0.8
89.03920	2.3
91.05494	0.6
93.07048	1.0
94.06573	0.9
95.04939	0.4
103.05494	0.7
108.08100	1.2
116.04989	8.7
118.06571	0.5
120.04503	0.6
120.08115	2.4
122.06042	12.3
123.04450	0.3
134.06030	1.0
136.07591	11.8
138.05498	0.5
143.43719	0.3
144.04456	16.8
145.05171	0.3
146.06023	0.5
148.07579	6.4
160.07661	0.3
162.05530	5.8
163.03922	0.8
165.09091	0.6
172.03946	61.2
173.04355	0.4
174.05493	1.0
176.07124	0.6
190.04973	1.4
204.06581	100.0
205.06918	1.8
217.83615	0.3
236.09399	0.7
251.11778	0.7
252.08752	0.7
279.11307	0.9
311.13760	1.2
325.11871	0.5
339.13419	17.4
340.13855	0.5
357.14493	0.5
367.12717	0.4
394.32681	0.3
411.11777	0.7
443.14569	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	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
54.80429	0.8
55.01865	2.7
55.05510	3.6
57.03439	1.7
58.48087	0.8
61.02946	0.9
67.05504	2.4
69.03435	9.8
69.07063	3.0
70.31270	4.2
71.04999	1.3
74.11578	0.8
79.05505	3.2
81.03431	6.2
81.07065	5.0
83.01353	2.6
83.04990	3.8
83.08622	2.8
84.08138	1.2
85.02419	1.3
85.02913	13.4
85.06527	3.1
87.00832	4.6
91.05487	4.8
93.07057	6.6
95.08588	4.8
97.02895	5.2
97.06523	3.5
99.04456	3.5
99.08089	12.4
101.06011	2.7
103.05504	1.3
105.01879	3.4
105.07037	3.4
107.08596	9.2
109.02898	4.6
109.06529	2.7
109.10179	6.3
110.68889	1.0
111.08092	4.0
117.03374	3.7
117.07018	2.6
119.08624	2.2
121.06525	13.2
121.10158	11.4
123.08031	1.4
123.11717	2.2
125.09643	7.5
127.03915	8.9
131.04947	2.6
131.08572	2.5
133.10117	8.1
135.08047	4.3
135.11697	2.0
137.09666	4.9
139.07567	2.8
139.11171	4.0
145.02873	12.2
145.04945	3.0
145.10027	1.2
147.11821	1.0
149.05986	1.8
149.09618	12.8
149.13277	3.9
151.11195	7.2
153.09105	2.8
155.10661	1.0
155.72717	0.9
158.10901	1.2
159.02942	1.8
163.14861	4.3
165.12694	1.8
167.10806	1.1
167.14334	1.3
171.02858	1.0
173.13284	3.9
174.86853	0.9
177.05489	25.4
181.15884	3.2
187.57593	0.9
191.14362	9.7
197.15337	1.4
209.15381	78.5
227.16423	17.5
314.13861	20.3
348.61588	1.0
434.26529	1.2
475.32587	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	474.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66475	1.7
61.01141	2.6
62.02260	1.7
66.23545	1.4
67.05538	2.4
70.64944	5.5
73.04764	3.7
77.00610	26.9
81.07038	2.0
84.07681	1.5
89.06042	12.6
91.05823	8.6
95.01650	98.2
95.08621	2.0
99.02663	3.0
101.04181	2.2
113.02678	4.5
114.07364	1.9
117.03691	2.9
117.07304	3.6
118.03229	11.4
119.01621	3.8
121.03192	5.8
133.08624	1.9
139.29053	1.7
141.94760	1.7
145.06808	29.6
147.04738	30.3
161.09927	3.5
165.05830	4.6
167.05563	1.9
169.03514	3.3
189.09430	100.0
203.09265	1.7
220.66808	1.8
235.09976	6.1
239.09564	6.7
277.14667	45.9
378.03131	1.7
464.51691	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05509	3.8
65.03948	1.5
67.05509	4.1
69.03428	2.4
69.07073	5.8
69.47676	11.1
71.05003	14.4
71.30178	1.4
79.05485	5.0
81.03424	1.5
81.07070	9.6
83.04984	2.4
83.08611	2.3
85.02914	5.9
85.06546	8.0
91.05475	8.7
92.31124	1.4
93.07053	13.5
95.04984	2.3
95.08627	10.9
97.02896	2.6
97.06541	16.4
99.04434	1.7
105.01875	4.2
105.07040	19.5
107.04959	1.9
107.08593	22.6
108.08909	1.6
109.06500	6.9
109.10175	4.6
111.08085	3.7
115.05293	1.7
117.07014	2.0
119.08588	13.5
121.06466	1.7
121.10150	32.1
123.08086	3.2
123.18579	1.3
127.03915	3.4
129.07082	1.5
131.08603	10.3
133.10138	88.6
134.10475	1.9
135.08047	20.5
135.11700	2.0
137.09621	1.8
138.09856	1.6
143.08551	2.5
144.09325	1.8
145.10139	5.7
147.11687	19.0
149.09663	2.5
149.13295	15.5
152.11281	1.4
158.10968	4.4
163.03972	2.7
163.14832	21.4
166.54489	1.4
170.32379	1.3
173.13264	27.4
191.14313	100.0
192.14664	3.2
209.15469	2.5
218.41632	1.7
231.05051	1.6
361.73792	1.4
420.30048	1.4
457.33347	7.2
474.32730	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
55.05500	2.3
62.73029	1.3
67.05509	6.0
69.03432	2.0
69.07079	5.1
69.50574	9.9
71.05002	14.3
79.05498	5.7
81.03417	2.2
81.07077	7.5
83.08617	3.0
85.02927	8.1
85.06544	6.8
86.40719	1.4
91.05484	14.3
93.07063	14.5
95.04931	2.0
95.08617	14.9
96.08919	1.6
97.02901	2.4
97.06538	17.0
99.08050	2.0
105.01881	3.9
105.07028	12.9
107.08604	21.9
109.02859	1.6
109.06521	7.5
109.10165	5.3
111.08089	5.4
117.07043	2.6
119.08611	12.0
120.08862	1.4
121.06449	2.0
121.10151	35.9
123.08075	3.2
127.03961	2.7
131.08578	9.7
132.08936	2.3
132.97743	1.6
133.10136	100.0
134.10455	1.7
135.08054	15.8
137.09634	1.7
143.08549	2.3
145.10117	7.0
147.11694	16.5
149.09650	3.9
149.13258	16.2
158.10849	4.6
163.03947	7.9
163.14842	1.8
171.11589	1.8
173.13287	27.7
191.14322	90.4
192.14645	2.0
201.12669	2.0
202.13158	1.9
209.15379	3.5
219.13808	3.7
220.14095	3.2
247.09564	1.7
266.19571	1.4
285.07684	4.3
310.04288	1.8
379.52686	1.4
438.30756	2.4
474.32794	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	474.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01862	4.6
55.05499	3.9
56.23121	2.3
57.03447	19.9
59.00046	1.9
59.05008	3.9
60.04509	2.6
67.05491	4.5
69.03433	76.4
69.42265	18.7
73.02919	2.4
79.05505	2.7
81.03403	3.9
81.07050	7.1
85.02421	3.3
85.02906	47.2
87.00819	1.9
87.04471	49.3
88.03987	3.0
91.05468	7.7
93.07042	5.1
94.06575	5.1
95.04977	2.7
95.08625	5.9
95.74703	2.2
97.02896	100.0
99.00800	3.4
99.04449	2.1
103.05444	3.5
105.07031	12.6
107.08588	5.0
108.08133	4.3
109.02846	2.9
109.10154	2.9
113.02370	11.5
115.03933	60.8
115.04742	3.2
117.07015	2.0
119.08577	4.5
120.08097	5.0
121.10152	2.7
122.06030	5.0
123.04408	4.3
123.11699	3.3
124.05212	10.8
125.02354	2.3
127.03881	3.1
129.06998	2.5
131.08595	4.6
133.04964	56.5
133.06522	8.8
133.10101	2.4
135.04366	2.4
135.08046	2.8
136.07541	7.7
137.06009	18.4
139.03996	2.5
143.03381	3.8
145.10168	3.4
148.07567	7.4
150.06589	4.4
150.07726	16.6
157.06500	2.5
158.45120	2.3
161.04463	51.6
163.03949	3.2
165.09114	37.0
173.13284	5.9
177.09181	3.3
189.09082	11.0
201.09142	4.7
203.10548	2.3
207.10136	2.5
219.90587	2.1
229.07111	5.8
231.10178	2.5
237.10204	4.9
243.10083	3.5
249.10344	2.2
261.11435	2.6
265.09793	7.7
279.07581	3.4
281.09164	3.6
287.10428	2.6
289.10553	3.0
293.09146	7.1
295.05920	5.1
295.10727	3.3
307.10699	2.3
311.10272	6.6
321.08728	6.0
339.09729	18.6
353.11383	5.3
379.34686	2.2
428.16058	3.3
438.23035	3.2
446.16794	6.8
456.23740	2.5
473.82034	4.5
474.16595	27.4
474.32257	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	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
55.05515	4.1
57.03436	3.0
57.07074	1.8
60.04519	1.7
63.00686	1.9
67.05505	8.2
69.03427	12.5
69.07088	12.0
70.06606	2.5
71.04976	1.6
71.58585	1.9
71.58968	2.0
72.87238	1.5
73.02966	1.8
77.59135	1.6
79.05495	7.0
80.05009	2.0
81.03427	4.3
81.07069	10.3
83.08603	3.2
83.71249	1.6
85.02909	8.6
86.06075	3.0
86.09702	2.8
87.00821	3.3
87.04476	7.1
90.01038	2.1
91.05492	10.1
93.07052	7.7
94.06577	2.8
95.04952	4.1
95.08604	22.8
96.08965	1.9
97.02898	15.6
103.05501	3.5
105.07040	16.6
107.04975	3.6
107.08595	7.9
108.08131	3.6
109.02879	5.3
109.06540	1.7
109.10158	25.9
115.03938	8.3
116.10744	5.9
117.07045	3.1
119.08591	48.6
120.08136	2.9
121.10206	4.4
122.06059	2.6
123.08052	2.3
123.11687	2.1
124.05243	1.8
124.10905	1.9
125.05921	2.1
125.09676	1.9
127.03922	3.5
130.06520	1.8
131.04953	3.1
131.08611	4.6
133.04974	4.6
133.10139	54.4
134.10593	1.9
135.04454	2.3
135.08086	2.9
135.11671	12.7
136.07544	2.5
137.06010	3.5
137.09625	9.7
145.06561	3.0
145.10146	5.3
147.11725	14.2
148.03897	2.3
149.09619	2.4
149.13297	3.8
150.07622	3.2
151.14813	5.5
154.08640	3.5
160.12457	2.5
161.04433	6.8
163.03941	5.3
164.04263	1.8
165.09114	6.7
171.11711	1.9
173.13254	3.3
175.14836	100.0
176.03407	9.6
191.14172	2.6
193.15892	29.0
208.14185	3.7
216.14493	2.1
219.13890	1.8
222.04005	22.2
230.04414	1.9
230.17522	5.6
234.33110	2.0
271.06021	14.4
283.10791	3.2
292.01422	1.8
311.10275	5.9
319.18784	2.2
329.11481	3.4
339.09760	9.8
357.10986	3.6
362.43472	2.4
371.12527	1.8
375.12326	2.2
443.11142	11.2
456.31085	2.3
462.91916	1.9
474.32538	8.3
479.55145	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	474.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03068	0.3
61.02939	0.3
63.02385	0.3
67.47639	0.3
69.03429	1.1
70.93185	0.7
77.12341	0.3
81.03417	0.3
82.00600	0.2
85.02912	2.6
86.09742	0.4
87.92432	0.2
89.03926	5.1
91.03973	0.4
91.05480	0.6
97.02912	0.9
101.93575	0.3
103.05479	0.3
105.43868	0.3
106.04173	0.4
107.04953	0.6
117.03387	19.2
117.07060	0.7
119.04979	0.5
121.02879	0.8
127.03905	0.8
134.03645	1.1
135.04434	0.8
136.07515	0.4
137.05992	0.3
138.03470	0.2
143.04979	0.3
144.04443	0.4
145.02855	54.1
145.06485	4.4
146.03198	0.7
149.04799	0.3
149.05992	5.3
155.06027	0.4
162.05507	1.3
163.03850	0.4
175.07523	0.5
177.05478	100.0
178.05833	1.2
182.22461	0.3
186.05434	0.6
188.07062	2.0
286.29318	0.3
305.46423	0.3
312.12317	18.4
430.54974	0.3
475.17648	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	474.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30963	0.2
70.01446	0.4
70.01836	0.5
70.06604	0.3
71.06136	0.2
72.08153	0.3
75.02786	0.2
75.68736	0.2
75.86568	0.2
85.02884	0.4
86.09708	0.3
89.03913	0.9
91.05460	0.2
94.81818	0.2
97.02888	0.3
107.04976	0.3
110.03531	2.1
117.03384	3.0
121.17638	0.2
135.03026	0.8
135.04488	0.2
137.06168	0.2
137.08241	1.3
143.87338	0.2
145.02850	7.9
145.06543	0.5
149.06006	0.9
150.36246	0.2
153.04070	1.0
162.07704	0.4
165.06468	0.4
177.03838	0.3
177.05475	17.2
180.08807	100.0
181.09030	0.7
247.93846	0.2
297.14493	0.2
309.65353	0.2
312.12546	6.0
329.27066	0.2
342.14008	1.4
344.18262	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	474.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
54.02808	0.3
55.01878	0.4
65.03941	0.7
66.81047	0.4
67.05497	0.6
69.03419	2.2
69.07066	0.8
70.11653	1.1
70.12074	0.6
71.05000	0.6
72.08149	0.5
77.03939	0.6
79.05497	0.8
81.03423	5.7
85.02904	1.2
86.06081	0.4
86.09712	0.7
91.05485	3.7
93.03439	0.8
93.07063	0.9
94.06615	0.8
95.04977	3.2
95.08612	0.6
97.02923	3.3
99.04436	0.6
102.04704	0.5
102.12758	0.4
103.05477	31.7
105.07026	0.7
107.04961	3.4
107.08608	0.6
109.02892	2.2
109.06535	0.6
116.10754	1.3
119.04938	5.3
120.04483	3.5
121.06506	1.4
123.04442	7.6
124.07627	0.4
125.04733	1.0
127.03910	1.5
131.04939	100.0
132.05275	1.2
132.95848	0.7
135.06862	0.6
136.07591	17.6
142.08638	0.9
145.04980	0.6
146.06033	0.5
147.04417	3.4
148.03944	1.0
149.05994	6.1
154.08627	0.6
164.36783	0.3
165.05489	13.0
166.05020	7.1
174.96989	0.9
175.97017	0.4
176.54480	0.4
177.05469	0.7
178.08611	0.9
182.08144	22.1
184.06187	0.4
208.14186	0.7
214.29807	0.4
224.09232	1.2
225.14960	0.4
230.17613	1.6
239.59065	0.4
244.09637	0.6
268.07181	0.9
272.09235	0.9
275.09140	5.0
290.10126	0.9
293.10291	2.3
438.15570	0.6
456.16544	0.6
474.21860	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	474.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13627	0.7
55.50181	0.5
60.72199	0.5
62.60027	0.5
65.55765	0.5
70.06606	0.6
71.58038	0.6
72.08162	0.7
95.06119	0.6
104.05015	0.7
105.05775	0.6
111.05550	3.2
117.03403	0.9
120.04482	2.8
123.05563	0.6
126.06638	1.8
132.03452	1.2
132.04463	22.9
132.05406	0.8
133.57066	0.5
134.06009	4.5
137.04729	2.7
145.02849	3.0
151.06155	11.0
158.06012	0.5
177.05460	6.2
180.08881	0.8
194.06781	4.8
202.09737	2.0
206.06856	0.5
214.09801	0.6
216.11203	0.5
230.09264	1.7
232.10889	0.7
242.09244	5.1
257.10355	3.5
258.08646	0.7
259.11905	10.0
284.11441	4.6
302.12485	16.5
312.12158	1.2
327.11957	3.5
345.13080	100.0
346.13455	3.1
391.20044	0.6
456.15970	0.7
474.11154	0.9
474.17447	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	473.363
Annotation	Odoratone
Peak:m/z	Relative Intensity
53.03955	14.2
55.01866	3.7
55.05518	25.8
62.81168	2.9
67.05508	58.5
69.03426	4.3
69.07066	19.8
69.33000	25.5
69.39698	3.0
71.05014	3.2
72.26683	2.6
79.05499	75.4
81.03424	100.0
81.07069	57.0
83.04985	10.1
83.08625	23.8
86.58547	3.0
91.05489	78.5
93.07051	63.9
95.04985	45.2
95.08619	48.6
97.06540	4.7
97.10168	9.3
99.08099	3.8
105.07041	63.5
107.04955	10.9
107.08604	44.7
109.06528	7.9
109.10183	28.9
111.08084	10.1
115.05470	4.2
117.07008	13.9
119.04954	2.9
119.08587	63.5
121.06499	6.5
121.10162	36.9
123.04462	4.0
123.08073	9.4
123.11707	7.1
125.09615	6.2
128.06223	5.0
129.07025	28.7
131.08600	18.7
133.06485	5.1
133.10132	39.3
135.08038	4.3
135.11700	15.7
137.09666	5.0
142.07805	4.6
143.08607	14.9
144.09358	3.3
145.10155	37.5
147.08063	5.4
147.11705	44.5
149.09641	9.2
149.13245	11.1
157.10139	11.8
159.08076	3.5
159.11693	23.6
161.09648	8.2
161.13248	27.9
163.11189	7.3
163.14847	9.4
164.19167	3.2
165.09097	11.5
171.11777	20.2
173.13293	10.7
175.11197	12.7
175.14813	8.3
177.12752	7.1
177.16385	13.9
185.13365	5.0
187.14796	26.7
189.12770	13.4
189.16457	19.5
191.17989	8.2
193.12273	33.6
199.14815	3.4
201.16428	10.3
203.14346	4.6
203.17976	46.9
205.15887	31.6
207.13783	24.8
207.17433	9.3
211.14941	3.4
213.12766	3.2
213.16330	6.0
215.18024	4.1
217.15907	3.1
223.16919	5.9
231.17630	4.4
235.13333	4.6
249.18568	10.3
363.23102	3.6
381.24146	4.9
409.34726	31.5
419.29779	4.9
437.34229	11.1
455.30948	6.1
473.29092	47.6
473.33463	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	473.363
Annotation	Hispidone
Peak:m/z	Relative Intensity
55.05496	12.5
57.07079	10.4
65.44314	5.3
67.05492	17.6
69.07083	29.5
71.58778	9.8
79.05473	18.0
81.07056	43.1
83.08608	14.3
91.05466	23.3
93.07041	49.2
95.08606	92.0
99.31303	6.2
105.07049	45.6
107.08598	65.4
109.10161	44.3
111.08109	6.7
117.07009	9.8
119.08577	86.0
121.10148	51.2
123.11732	14.9
131.08551	32.5
133.10141	62.4
135.08080	6.5
135.11687	42.8
137.13254	10.2
143.08607	6.9
145.10112	46.3
147.11702	35.2
149.13301	20.3
151.11256	6.1
157.10078	7.5
159.11714	43.0
161.13269	35.8
163.07614	6.1
163.14848	29.6
173.13278	19.4
175.14880	24.0
177.09206	7.4
177.16275	11.6
179.14299	8.4
185.13231	6.5
187.14835	41.3
189.16382	31.2
191.17937	90.6
191.19589	9.1
201.16383	100.0
203.17960	32.5
205.12103	7.6
205.15947	7.9
207.17494	7.8
213.16434	8.5
215.10034	6.4
215.14461	8.3
215.17969	13.0
217.19478	11.2
219.17435	17.7
226.43045	6.2
229.15868	6.8
229.19525	13.0
247.16995	54.7
391.33557	10.0
409.34631	24.8
427.35452	8.8
437.34079	21.7
455.35358	20.0
473.34778	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	473.3633
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
54.64009	1.2
55.05507	3.0
59.07485	1.2
64.42895	1.2
67.05520	7.5
69.07062	3.7
69.51686	9.3
79.05496	5.3
81.03426	1.5
81.07063	11.3
83.04968	1.9
83.08607	2.4
85.85099	1.3
91.05476	4.9
93.07041	11.0
95.08616	17.1
97.06514	1.6
97.33985	1.3
105.07040	10.5
107.08594	13.9
109.06482	1.5
109.10170	8.5
119.08576	12.6
121.10150	12.1
123.08057	2.4
123.11732	3.1
131.08592	6.7
133.10159	9.4
135.08107	2.1
135.11670	10.2
137.09607	1.8
142.07719	1.3
143.08559	1.8
143.69765	1.5
145.10101	7.2
147.11673	11.1
149.02399	2.4
149.13254	7.0
151.11147	1.3
157.10069	2.0
159.11703	4.3
161.13260	5.9
163.11214	1.8
163.14825	5.7
163.50601	1.3
165.09106	7.9
165.12712	1.4
171.11720	1.9
173.13249	3.4
175.14842	2.7
177.16420	4.5
187.14822	11.5
189.16405	12.8
191.14276	1.8
201.16380	5.3
203.17978	2.4
205.15891	27.6
207.17451	15.6
213.16417	2.1
215.17924	3.9
255.21066	3.7
291.23242	1.7
369.44565	1.5
406.00177	1.4
409.34531	4.3
409.84973	1.5
427.35724	100.0
428.35855	2.0
455.35461	2.5
473.33118	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	473.3628
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
55.05501	12.1
69.07065	14.4
79.05473	9.9
81.07068	13.4
83.08611	6.6
91.05509	8.4
93.07040	19.9
95.08615	47.9
98.21504	12.9
105.06991	13.7
107.08603	48.5
109.10165	26.5
110.37733	5.7
119.08597	39.1
121.10152	30.9
123.11731	6.6
133.10159	38.9
135.11679	16.6
145.10124	15.8
147.11702	25.7
159.11687	24.8
161.13271	16.3
163.11200	31.4
163.14803	8.5
171.11734	8.1
175.14856	15.4
177.16364	23.6
187.14833	55.0
189.16400	59.8
191.18010	11.6
198.22589	6.1
201.16293	9.1
203.17947	63.1
205.15906	100.0
205.19670	7.6
207.17509	17.1
223.17004	8.9
249.18524	23.9
409.34549	32.6
437.34088	29.3
455.35107	6.9
473.35690	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	473.363
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
51.00381	0.8
53.03942	1.2
55.05513	3.9
56.30438	0.9
57.07068	0.8
63.90370	0.9
64.91924	0.7
67.05511	4.3
69.07088	4.5
69.30398	2.5
69.30812	5.5
79.05499	4.2
81.07065	10.9
81.15725	0.8
83.08619	2.4
84.65315	0.8
91.05493	5.1
93.07055	11.3
95.08048	1.4
95.08614	18.4
97.06532	0.8
105.07043	11.4
107.08604	20.2
109.06496	1.9
109.10165	9.8
111.08111	2.1
114.39149	0.9
117.07019	2.7
119.08596	22.8
119.47254	0.9
121.10157	10.9
123.08081	4.4
123.11707	4.4
129.06949	0.8
131.08582	5.0
131.61829	0.9
133.10146	15.7
135.08018	1.4
135.11703	13.4
137.13237	1.2
143.08600	2.1
145.10153	10.4
147.11713	14.3
149.13281	7.5
151.11148	1.5
157.10144	2.4
159.11685	9.1
161.13290	7.0
163.14861	7.1
171.11717	1.2
173.13239	4.8
174.13667	1.1
175.14873	6.1
177.16420	3.8
179.14214	1.1
185.13272	3.1
187.14857	9.2
189.16437	16.2
191.17960	1.8
199.14807	4.3
201.16409	19.5
203.17990	12.1
205.15845	6.6
207.17480	15.4
208.11101	0.8
213.16454	1.9
215.17969	6.2
217.19481	2.0
219.17389	1.7
227.17912	2.5
229.19504	2.9
241.19499	2.7
243.21158	2.8
247.16982	6.8
251.16487	1.0
255.21056	4.9
257.22662	2.5
269.22681	2.6
282.60809	0.9
289.21616	1.4
301.21658	3.4
303.23178	1.5
315.23029	1.4
331.26376	5.1
357.27982	3.6
391.33661	2.4
409.34726	6.2
427.35764	100.0
428.35861	2.5
437.34427	6.5
455.35403	4.6
473.36591	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	473.3628
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05504	19.4
63.91577	5.4
64.80072	5.9
67.05508	34.3
69.07063	28.7
69.46105	41.8
78.89266	7.4
79.05495	27.7
81.07063	55.4
81.25374	6.1
83.08634	14.8
91.05479	27.6
93.07069	34.6
95.08053	8.1
95.08616	100.0
97.06535	9.8
98.21452	14.9
101.14423	5.4
105.07037	36.1
107.08613	67.7
109.10173	62.3
114.19243	5.6
116.18299	5.7
117.07001	9.0
119.08588	50.4
119.47548	5.8
121.10155	46.6
123.11713	19.5
131.08595	12.7
133.10141	38.0
134.09061	6.5
135.11705	21.7
137.13286	8.9
145.10132	30.1
147.11685	27.1
149.13269	14.0
151.87231	7.6
153.09174	9.0
159.11797	9.2
161.13306	19.2
163.14795	21.0
165.09129	14.6
167.10680	11.3
171.11726	9.5
173.13271	8.6
175.14839	20.2
177.16382	16.8
181.12180	7.1
187.14810	37.1
189.16359	48.2
191.17952	20.5
195.13811	7.5
199.15021	6.6
201.16446	15.9
203.17981	53.5
205.15913	9.0
207.17534	13.8
210.20212	6.3
215.17938	7.0
217.19554	13.8
218.00214	6.2
235.17157	7.9
237.18648	8.1
249.18686	8.6
253.03436	6.7
330.25931	6.5
409.34586	39.9
427.35901	65.9
437.34027	9.9
455.35168	10.0
473.34653	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Odoratone
Peak:m/z	Relative Intensity
67.05492	14.1
67.54683	6.3
69.56375	21.5
69.56804	25.9
79.05489	12.5
81.07063	17.5
83.08648	8.8
86.49003	8.3
89.77988	7.0
91.05515	9.1
93.07037	17.3
93.25900	6.4
95.08626	44.0
98.21508	9.4
105.07023	21.1
107.08576	44.6
109.10169	21.3
111.56480	7.1
119.08581	41.3
121.10139	27.1
133.10124	30.5
135.11694	16.4
145.10120	14.6
147.11665	18.7
149.13246	11.9
159.11681	12.8
161.13200	12.8
163.11182	21.6
163.14816	10.8
175.14815	24.5
177.16385	28.6
187.14804	21.6
189.16391	64.7
203.17892	45.4
205.15878	100.0
207.17441	28.1
244.79811	7.6
249.18434	10.3
313.25040	10.4
409.34567	54.3
427.35480	8.4
437.34192	14.4
464.04376	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	473.3627
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
55.05497	9.4
67.05495	11.2
69.07056	13.9
70.79003	13.4
74.71594	6.4
79.05445	10.5
81.07037	26.3
91.05466	11.5
93.07040	19.6
95.08633	46.2
105.07001	24.4
107.08615	33.9
107.65979	6.6
109.10148	31.4
119.08582	31.4
121.10196	34.7
126.48514	6.3
133.10150	34.9
135.11736	16.8
145.10120	23.9
147.11670	24.9
149.13246	21.6
154.41595	7.6
159.11618	10.1
161.13234	21.9
163.14799	15.2
175.14825	23.5
177.16380	27.6
187.14760	26.8
189.16359	37.4
201.16406	21.3
203.17964	100.0
205.15894	33.7
205.19424	12.0
249.18576	11.1
409.34549	82.3
437.34299	17.2
489.49063	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	473.3627
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
65.96246	6.6
67.05505	8.8
69.07060	9.8
69.57203	31.2
69.57612	17.2
80.24887	6.7
81.07037	23.2
93.07029	23.5
95.08614	41.2
98.21584	8.1
105.07048	19.8
107.08606	41.0
109.10171	25.9
115.77425	7.6
119.08580	40.4
121.10162	40.9
133.10121	31.4
135.11690	11.7
145.10182	37.4
147.11705	23.7
159.11755	34.9
161.13245	15.3
163.14812	11.5
173.13165	7.7
175.14830	15.9
177.16408	22.6
187.14845	49.6
189.16447	45.6
191.18018	8.9
201.16389	9.0
203.17960	100.0
205.15886	50.0
213.62477	7.4
216.58049	7.6
231.17342	11.4
249.18582	24.5
387.10062	7.2
409.34628	67.6
437.34119	21.4
473.36267	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	473.3627
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
53.03973	2.6
54.35200	1.9
55.05510	8.4
57.07074	2.6
67.05512	11.6
69.07053	11.2
69.69012	11.0
79.05488	10.3
81.03396	2.2
81.07053	24.4
83.08607	6.5
85.06565	3.0
91.05485	11.5
93.07052	26.3
95.04964	3.7
95.08605	43.3
97.10145	3.1
99.08060	2.7
103.64008	2.2
105.07027	26.0
107.08602	45.1
109.10159	44.5
117.07022	2.5
117.74722	2.2
119.08595	44.9
121.06477	2.3
121.10152	41.3
123.11716	9.9
131.08548	6.8
133.10139	46.0
135.08057	7.1
135.11711	15.0
137.13229	2.3
143.08556	4.4
145.10123	18.2
147.07935	2.3
147.11690	28.9
149.13268	14.8
151.11174	4.3
153.09132	3.6
157.10123	4.8
159.08034	2.9
159.11697	20.6
161.09689	4.1
161.13274	23.7
163.11177	8.4
163.14842	15.7
165.09140	4.2
167.10684	3.2
171.11629	3.9
173.13313	11.3
175.14838	17.8
177.12733	2.6
177.16409	25.0
178.49625	1.9
183.11655	2.5
187.14857	24.7
189.16408	55.3
191.17958	12.4
193.12608	2.2
199.14818	2.3
201.12796	2.7
201.16335	12.1
203.17963	100.0
205.15897	62.6
205.19554	6.5
207.17433	6.9
213.16435	3.5
215.18013	4.7
217.15910	3.0
217.19432	2.9
219.17496	5.0
223.16916	8.1
229.19463	2.5
231.17433	5.2
235.16829	3.3
249.18452	18.1
259.29388	2.2
365.97656	2.5
391.33618	9.6
409.34689	67.8
410.43484	2.3
427.35770	5.6
437.34457	23.1
438.29630	2.4
455.30701	4.6
455.35962	3.2
473.30759	9.0
473.37228	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	473.3631
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
55.05513	9.7
58.24837	1.8
65.03948	1.7
67.05500	12.9
69.07072	12.7
69.44551	12.7
69.44974	4.3
76.77848	1.7
79.05486	7.6
81.07068	20.6
83.08605	6.5
91.05470	7.7
93.07050	19.1
95.08615	52.9
97.10164	3.9
98.21494	3.8
105.07043	21.7
107.08602	46.9
109.06490	2.0
109.10167	43.6
117.07018	4.3
119.08594	53.1
121.10152	37.4
123.11701	12.1
131.08571	8.3
133.10138	42.7
133.11005	1.4
135.08020	2.3
135.11693	22.0
137.13254	3.8
143.08627	2.4
145.10152	16.6
147.11691	25.3
149.09641	3.5
149.13290	13.8
151.11130	5.8
157.10098	2.6
159.11716	19.8
161.13268	23.1
163.11186	6.3
163.14853	19.0
173.13271	7.4
175.14850	15.7
177.12929	2.0
177.16415	24.7
179.14388	2.5
187.14827	29.1
189.16386	55.1
191.17955	21.1
193.15982	2.4
199.14824	3.0
201.16386	13.8
203.17967	100.0
205.15904	52.5
205.19562	5.6
207.17505	8.7
213.16408	3.7
215.17950	5.5
217.19554	3.7
219.17514	4.4
221.19063	3.9
223.16891	9.1
227.17929	3.2
229.19591	3.5
231.17377	3.4
233.15511	1.8
235.16861	3.6
249.18517	18.4
388.75699	2.0
391.33521	8.0
409.34650	69.6
410.34576	2.1
427.35614	8.3
437.34186	22.2
455.35416	8.4
473.18832	2.2
473.36310	58.2
474.36728	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	473.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01866	1.3
55.05511	7.0
61.02864	0.9
64.46632	0.9
64.97774	0.9
67.05500	5.8
69.03436	6.5
69.07076	5.4
71.04990	2.3
79.05504	7.1
79.85631	0.9
81.03435	2.1
81.07058	14.0
81.54676	1.0
83.04978	7.1
83.08607	3.0
85.02912	5.1
85.06521	2.2
86.09716	9.7
91.05489	11.3
93.07047	11.7
95.04984	2.6
95.08609	12.3
97.02904	3.0
97.06530	4.1
99.08094	11.0
100.11250	1.6
105.01859	1.1
105.07035	20.8
107.04945	3.0
107.08603	24.1
109.02885	1.7
109.06542	6.7
109.10164	9.4
111.08076	2.8
114.05567	1.1
115.03936	1.0
116.67986	1.0
117.07025	4.6
119.04958	1.0
119.08596	23.5
121.06525	4.3
121.10151	13.3
123.08082	5.7
123.11715	4.1
125.09637	3.6
127.03940	3.5
127.07587	2.5
129.07047	2.5
130.07761	1.2
131.08580	9.1
133.06526	4.6
133.10136	13.5
135.08070	8.3
135.11671	4.7
137.05952	1.4
137.09642	3.5
139.11172	1.3
141.07053	1.0
142.07797	2.0
143.08597	5.3
144.09357	1.1
145.04875	1.3
145.06516	1.5
145.10153	12.5
147.04446	3.0
147.08037	12.3
147.11687	15.6
149.06027	2.9
149.09619	5.4
149.13199	2.4
151.07574	2.9
151.11194	2.3
154.43103	0.9
155.08563	1.8
157.10135	7.0
158.10909	1.7
159.08073	4.3
159.11714	15.4
161.09613	7.0
161.13240	5.1
163.11200	10.3
165.09120	2.0
165.12759	10.1
167.10670	5.7
169.10121	3.3
171.08046	1.8
171.11754	6.0
172.08844	1.7
172.12497	1.0
173.09608	5.8
173.13251	9.2
175.11195	11.5
175.14789	5.6
177.12761	3.0
183.11705	7.3
185.09630	1.3
185.13246	3.9
186.10442	4.0
187.11230	5.0
187.14819	5.9
189.12785	3.8
189.16405	1.8
191.10693	1.8
191.14326	5.4
193.12183	1.6
195.11667	1.4
197.13287	1.6
198.10475	1.1
199.11237	7.4
199.12790	1.0
199.14729	2.4
201.12738	22.5
201.16348	2.1
203.14301	8.7
205.12254	1.2
205.15970	3.9
207.13788	12.6
211.14885	2.1
213.12840	1.5
213.16426	3.3
215.14334	8.7
217.12257	2.6
217.15913	2.2
219.13805	21.8
223.14977	1.3
225.14874	3.9
227.14363	2.2
229.08142	1.2
229.12210	1.2
229.16023	1.6
231.17453	2.5
233.15321	6.3
233.30003	1.2
235.13318	12.8
239.14383	1.9
241.15952	1.4
253.15913	1.4
255.17514	1.9
267.17697	1.1
327.23322	2.4
379.26822	1.1
397.27176	1.8
401.28433	1.5
407.29575	2.1
419.29410	10.5
437.30536	14.1
454.80664	1.5
455.31573	13.8
463.81223	1.9
464.31387	1.5
472.81903	35.0
472.88739	1.9
473.32593	100.0
473.82025	1.3
474.33023	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	473.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01884	1.8
55.05505	4.2
57.03438	1.2
57.07074	1.5
67.05504	9.9
68.26424	1.0
69.03426	5.0
69.07077	4.7
71.04994	1.7
71.20119	1.9
79.05502	8.3
81.03454	4.6
81.07056	17.2
83.04974	1.9
83.08620	1.3
85.02916	6.3
86.09716	1.8
87.00825	1.8
91.05480	12.7
93.07050	14.5
95.04970	3.1
95.08613	20.1
97.02918	2.5
97.06538	4.4
97.10164	1.1
98.37251	0.9
99.04461	4.6
99.08102	1.9
105.01859	1.9
105.07030	29.9
107.04939	1.8
107.08598	26.3
109.02866	2.5
109.06520	6.6
109.10162	15.2
111.08093	2.4
117.07012	6.4
119.08586	33.6
119.09451	1.7
121.02879	1.0
121.06548	4.7
121.10159	13.9
123.08084	13.2
123.11722	3.1
125.09657	3.9
127.03931	3.3
128.06204	2.4
129.07047	2.9
131.08578	17.2
133.06540	1.6
133.10136	22.7
135.04337	1.4
135.08057	6.9
135.11688	7.6
137.09624	4.9
141.06984	2.3
142.07796	2.4
143.08559	11.5
144.09355	1.5
145.06499	3.5
145.10133	22.7
146.07320	1.3
147.08054	40.6
147.11702	13.4
149.09628	5.1
149.10728	0.9
149.13280	4.4
151.11188	1.3
153.09070	1.0
155.08580	3.8
156.09357	3.7
157.10149	10.8
158.07275	1.6
158.10901	3.1
159.02939	1.9
159.08070	18.0
159.11703	15.5
160.08794	1.5
161.09641	21.7
161.13264	8.0
163.11194	2.6
163.14818	2.7
165.06891	1.2
167.10735	1.7
169.10170	4.2
170.10916	1.0
171.08020	7.0
171.11726	8.7
172.08856	8.1
173.09645	16.0
173.13280	12.1
175.11176	7.7
175.14813	6.5
176.89421	1.0
177.12845	2.1
181.10072	1.6
181.12302	1.3
183.08173	1.2
183.11688	6.7
184.08841	1.8
185.09642	4.3
185.13239	5.6
186.10414	17.9
187.11179	10.2
187.14799	5.2
188.11908	1.1
189.12776	6.6
189.16399	2.3
189.35919	1.0
191.14354	4.3
193.15878	1.5
197.09668	1.9
197.13326	1.5
198.10280	1.8
199.11191	44.0
199.14867	3.1
200.11774	1.7
201.12752	100.0
201.16377	5.1
203.14339	43.3
203.17992	6.0
205.15913	1.4
207.13828	5.0
211.11276	1.5
211.14848	2.8
213.12738	6.9
213.16299	5.2
214.87445	1.0
215.14333	31.0
215.17790	1.8
217.15891	6.6
219.17625	1.0
221.15466	2.4
223.14853	1.2
225.12790	1.3
225.14754	2.1
227.14372	5.1
229.15787	5.1
231.17485	7.1
233.15100	1.2
239.14304	1.5
241.15826	3.0
247.17046	4.1
249.18724	1.5
253.15887	2.0
255.17505	2.3
265.15775	1.2
269.18842	2.0
274.17822	0.9
401.28568	2.4
419.29269	5.7
437.30362	7.9
446.17621	1.1
455.31619	29.6
473.32629	93.6
474.32880	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	473.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42655	1.4
53.03941	3.2
55.05497	5.8
62.83232	1.6
65.03937	2.9
67.05508	12.6
69.03423	2.6
69.07071	9.0
69.43820	2.2
69.44223	9.1
70.40528	1.4
70.80350	1.2
70.80827	1.2
79.05496	9.8
81.03426	1.3
81.07060	19.7
83.04988	2.0
83.08614	4.4
85.06566	1.9
88.92221	1.2
91.05479	11.7
91.56329	1.2
93.07050	20.5
94.06670	1.2
95.04970	4.1
95.08619	29.9
97.06530	5.5
99.08101	4.8
103.05455	3.0
105.07037	25.2
107.04939	1.8
107.08603	22.2
109.06519	6.0
109.10169	22.4
111.08097	3.7
111.11769	1.5
117.07030	5.0
119.08588	30.2
121.06500	5.9
121.10155	22.6
123.04443	2.1
123.08077	5.9
123.11703	5.7
125.09639	2.4
129.06999	2.7
130.06578	2.2
131.04942	6.5
131.08577	12.7
133.02823	1.5
133.06525	1.5
133.10130	19.7
135.04414	1.4
135.08060	9.0
135.11699	5.6
137.09656	7.1
139.11169	1.7
142.07788	3.0
143.08585	6.1
145.02869	1.4
145.06502	1.8
145.10129	16.7
147.08063	9.4
147.11687	13.6
149.02368	18.9
149.03458	2.7
149.09636	5.4
149.13274	4.6
151.11165	3.1
152.65691	1.3
155.08656	1.5
156.09387	2.4
157.10123	11.6
158.10973	1.4
159.08044	4.9
159.11690	21.1
161.09653	7.7
161.13235	7.5
163.03912	8.0
163.11246	3.7
163.14786	3.4
165.09094	11.3
168.09349	1.7
169.10094	3.5
171.08043	1.6
171.11687	8.5
172.08844	1.9
173.09669	3.9
173.13271	16.0
175.11237	8.5
175.14828	7.7
176.12955	1.3
177.12738	4.6
177.16412	2.6
181.10098	2.4
183.11755	5.8
185.09625	1.5
185.13326	7.7
186.10323	1.3
187.11223	3.6
187.14876	8.8
189.12727	12.7
189.16402	7.9
191.10687	3.2
191.14366	5.1
193.04988	3.4
193.12375	1.7
195.11737	2.1
197.13287	4.7
199.11238	4.8
199.14841	5.4
201.12787	7.6
201.16412	4.7
203.10675	2.5
203.14340	13.0
203.18106	3.2
205.12239	4.4
205.15869	3.9
207.17477	2.8
209.13315	2.0
211.14894	2.7
213.12704	1.8
213.16513	1.8
215.14320	5.7
215.17950	3.5
217.12251	14.2
217.15935	3.3
217.18040	1.5
219.13795	9.7
221.15404	3.4
223.14932	2.9
227.14365	1.8
229.15817	3.1
231.13905	3.5
231.17480	2.2
233.15358	2.5
241.15857	2.0
247.17023	2.1
255.06577	3.0
255.17499	2.4
259.17148	1.3
265.10645	1.4
265.19574	1.9
267.17569	1.9
269.19049	4.4
283.05994	1.7
283.20447	1.4
299.19870	1.6
389.28522	1.9
395.29565	2.8
401.28448	2.7
403.10208	2.6
407.29474	3.8
419.29492	9.2
425.30948	1.7
429.11795	3.9
437.30316	13.5
455.31616	18.0
473.14273	10.9
473.32623	100.0
474.33121	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	473.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	8.1
55.87614	8.3
63.32478	6.8
67.05495	20.2
69.07076	12.4
70.29566	28.6
72.79249	8.5
77.33784	6.6
79.05502	17.9
81.07049	26.3
83.08635	10.9
91.05476	19.0
93.07032	34.6
95.04951	8.6
95.08612	47.9
99.08093	68.2
105.07059	49.5
107.08603	42.9
109.10147	21.8
111.08100	61.0
117.07002	13.6
119.08613	78.4
121.06509	20.2
121.10158	43.5
123.08021	11.7
129.06992	7.3
131.08585	58.0
133.10138	51.8
135.08040	18.9
135.11717	10.6
137.09743	9.4
141.06934	9.7
142.07793	14.9
143.08543	32.6
145.10088	41.4
147.07999	24.5
147.11682	40.1
155.08589	11.1
156.09381	13.6
157.10176	44.8
159.11722	50.5
161.09651	22.6
161.13277	19.4
163.11163	16.3
165.09096	10.1
167.08542	9.7
168.09296	8.1
169.10185	22.9
171.11679	26.7
173.09593	11.2
173.13293	47.1
175.11208	18.2
175.14832	12.1
182.10898	9.9
183.11703	35.4
185.13280	48.3
187.14827	22.0
189.12808	14.2
195.11714	18.1
197.13261	31.5
199.14812	17.9
201.12709	17.4
201.16415	7.5
203.14375	27.5
209.13326	16.1
211.14827	23.8
215.14291	22.6
217.15900	11.6
219.13820	10.4
221.15308	12.8
223.14803	10.0
225.16351	13.7
243.17415	8.8
251.18025	17.0
257.19009	11.9
263.18091	8.4
269.19067	39.4
281.19080	9.7
299.20084	18.1
333.22107	10.7
377.28979	8.5
389.28470	15.7
401.28275	18.0
407.29340	19.1
419.29535	49.9
437.30444	69.5
455.31619	88.8
473.32718	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	473.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.53558	0.6
55.05514	3.7
57.07074	1.2
59.31300	0.7
65.03928	1.0
67.05517	4.9
69.03412	1.4
69.07065	3.0
70.49606	1.8
70.90340	0.6
71.04996	6.8
79.05496	5.7
80.10763	0.7
81.07063	9.6
83.04983	1.4
83.08627	1.4
91.05489	8.9
92.21703	0.7
93.05788	0.9
93.07058	10.0
95.04969	2.8
95.08619	12.0
97.06524	3.3
99.04467	20.3
99.08093	6.5
100.73341	0.6
103.05477	0.8
105.07037	15.5
107.08603	13.4
108.08142	1.8
109.06530	2.2
109.10164	7.2
111.08106	1.7
114.00426	0.7
115.05466	1.3
116.06267	0.7
117.07019	3.7
119.04974	0.8
119.08590	18.1
121.06508	3.9
121.10161	9.4
122.06014	2.0
123.08082	3.3
123.11677	1.9
125.09634	2.5
128.06241	2.1
129.07028	1.9
130.07745	1.2
131.08572	10.7
133.06499	1.7
133.10149	11.8
135.08063	7.0
135.11694	3.4
136.07597	4.8
137.09610	2.7
142.07770	1.8
143.08591	5.9
144.04434	0.8
144.09402	1.3
145.06512	0.9
145.10127	13.2
145.11263	0.7
146.06024	1.8
147.08086	7.4
147.11702	6.4
149.05983	1.0
149.09601	3.6
149.13246	1.7
151.11200	0.8
155.08568	2.4
156.09346	1.4
157.10147	7.2
158.10912	1.8
159.08122	3.7
159.11708	16.9
161.09656	5.4
161.13303	3.9
163.07544	1.8
163.11201	2.5
163.14847	1.5
164.07146	0.9
165.09163	2.0
165.12755	0.8
166.03668	0.6
167.08687	0.8
167.10748	0.8
168.09406	0.9
169.10179	2.3
170.10878	0.9
171.08022	1.1
171.11719	6.0
172.08885	1.5
173.09663	2.5
173.13263	12.3
174.05528	2.4
175.11234	3.5
175.14827	3.7
177.09128	0.7
177.12761	2.1
177.16466	1.3
182.10933	0.9
183.11722	8.8
185.13272	4.3
186.10489	1.8
187.11223	2.9
187.14832	5.8
189.12791	3.2
189.16426	2.7
191.14320	2.9
192.06586	1.3
193.12233	0.9
193.15880	0.7
195.11783	1.3
197.09694	0.8
197.13287	2.5
199.11217	2.3
199.14828	3.5
201.12761	16.6
201.16467	2.2
202.04973	6.9
203.14320	6.0
204.06573	0.9
205.12250	0.9
205.15898	2.2
207.11684	0.9
207.13695	1.0
209.13406	0.7
211.14867	1.9
213.12750	1.4
213.16394	1.3
215.14375	6.5
215.17870	1.0
217.12248	0.8
217.15923	2.2
219.13832	9.5
221.13310	0.9
221.15402	1.7
223.14850	1.4
225.16284	0.7
227.14438	0.8
229.15834	1.3
231.13788	0.9
233.13144	1.2
233.15346	8.7
234.07634	16.5
235.14958	0.8
237.16426	1.0
243.17430	1.2
249.10326	0.8
249.16394	0.8
251.17854	0.7
255.17538	1.0
267.17514	0.9
269.19058	1.1
337.11981	1.0
339.26801	1.1
369.14337	1.8
377.28207	1.3
383.26559	0.8
389.28378	1.1
391.29688	0.9
401.28180	1.4
407.29395	1.0
413.30347	1.0
419.29434	4.0
437.30542	8.4
441.13055	2.0
455.31610	7.5
473.32657	100.0
474.32901	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	473.3264
Annotation	Comnostin D
Peak:m/z	Relative Intensity
53.03928	0.9
55.01882	0.8
55.05503	3.0
67.05508	4.9
69.07057	3.8
70.76569	1.8
71.04987	1.4
79.05496	4.6
79.16326	0.7
81.03431	0.7
81.07058	8.8
83.05010	0.9
83.08617	1.5
91.05495	5.0
93.07045	8.6
95.04993	1.7
95.08619	11.1
97.06523	1.5
105.07030	12.4
107.04956	1.3
107.08602	13.6
109.06512	2.0
109.10155	9.4
111.08087	1.2
111.41639	0.8
113.05995	1.1
116.70607	0.7
117.07010	2.4
119.08581	17.2
121.06521	2.2
121.10143	9.0
123.08043	3.3
123.11731	1.7
128.06267	1.1
129.07016	1.9
131.08546	7.7
133.06496	1.7
133.10139	10.7
135.08064	10.8
135.11702	4.2
136.08406	0.8
137.09653	2.8
142.07861	0.7
143.08549	3.5
144.09206	0.9
145.06499	1.4
145.10139	10.4
147.08069	7.9
147.11697	7.5
149.09615	3.4
149.13252	2.9
155.08569	1.3
157.10114	4.6
159.08075	4.0
159.11688	8.3
161.09628	7.0
161.13286	5.5
163.07635	0.7
163.11165	7.6
163.14848	2.3
165.09166	1.9
167.10675	1.0
169.10126	2.3
170.10918	1.2
171.11702	4.8
172.08742	0.8
173.09624	2.9
173.13290	8.9
175.07486	1.2
175.11235	6.4
175.14851	5.2
177.12755	0.9
183.11633	2.0
185.09570	1.1
185.13286	3.1
186.10432	2.2
187.11198	3.2
187.14789	5.0
189.12796	4.0
189.16373	5.7
191.14346	2.9
195.11742	1.0
197.13213	0.9
199.11182	4.6
199.14810	2.5
201.12737	13.7
201.16408	2.7
203.14317	13.1
203.17964	4.3
204.14523	1.0
205.15872	2.6
213.12781	2.7
213.16388	1.1
215.14284	6.3
215.17966	1.0
217.12204	1.3
217.15695	3.9
219.13763	4.0
221.15363	2.5
223.14818	0.9
227.14345	1.4
227.18103	1.2
229.15915	1.7
231.17511	1.2
233.15363	3.1
249.18523	1.6
269.19147	1.5
407.29440	1.7
409.34570	3.5
415.28397	1.0
419.29529	1.8
425.30533	17.7
437.30530	3.0
455.31470	4.4
466.33575	1.0
473.32559	100.0
474.32773	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	473.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.05506	3.2
67.05502	4.0
69.03421	1.8
69.07076	1.5
70.12318	3.5
75.17543	1.0
76.51855	0.8
79.05495	5.6
81.07071	7.6
83.08614	1.6
91.05479	7.3
93.07046	9.3
95.04951	2.3
95.08612	10.2
97.06538	3.2
98.19961	0.7
99.08093	3.4
100.19329	0.9
103.79750	0.8
105.07033	14.0
105.07676	1.1
107.08595	14.0
109.06527	3.1
109.10155	6.2
110.50874	0.9
115.05444	0.9
117.07007	2.9
117.85508	0.9
119.08591	23.6
121.06515	10.4
121.10155	12.7
123.08054	3.0
123.11703	1.5
124.04457	0.9
125.05971	1.1
125.09642	1.2
129.07028	1.7
131.08582	9.6
133.06508	1.2
133.10133	11.7
135.08070	6.9
135.11682	3.5
137.09651	3.7
142.07750	1.4
143.08562	3.7
145.06474	1.3
145.10126	17.0
147.08080	8.3
147.11703	5.3
149.09651	5.2
149.13298	1.1
151.11160	1.0
155.08629	0.8
156.09389	1.7
157.10161	5.6
158.10918	1.8
159.08051	5.6
159.11713	15.2
160.08870	1.7
161.09624	8.6
161.13274	5.0
163.11201	2.7
163.14825	1.8
165.12752	1.1
167.10732	0.8
169.10130	1.8
170.10855	1.2
171.08110	1.7
171.11667	4.8
172.08958	0.9
173.09663	6.0
173.13280	16.6
173.14688	1.4
175.11217	7.1
175.14795	5.0
177.09126	1.7
177.12793	1.2
183.11647	4.1
184.08833	1.1
185.09680	1.7
185.13191	4.9
186.10461	1.3
187.11201	4.0
187.14844	6.6
189.12802	9.9
189.16377	1.5
191.14381	5.8
193.12300	1.7
197.13354	1.8
199.11194	3.2
199.14903	2.4
201.12767	22.7
201.16393	2.2
203.14334	21.3
203.16132	0.6
205.12216	1.1
205.15880	1.5
207.13824	1.0
209.13147	0.8
211.11230	1.0
211.14830	1.0
213.12750	2.4
213.16397	2.3
215.14348	12.8
215.17892	0.9
217.12334	2.0
217.15962	3.0
219.13846	5.0
221.15388	4.3
227.14342	2.0
227.17987	0.9
229.15926	2.4
231.17406	1.6
233.15414	2.8
239.16376	1.9
243.17686	0.9
247.16878	1.1
255.17613	1.5
283.20374	0.8
304.26813	0.9
389.28345	1.1
401.28320	1.5
407.29501	3.3
411.28644	1.4
419.29367	2.4
425.30646	2.1
437.30591	4.0
455.31622	8.7
473.32645	100.0
474.32855	5.2
478.15164	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	473.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	17.1
57.03438	6.9
58.34758	5.6
67.05507	33.7
69.07057	16.7
70.13786	26.5
79.05499	20.4
81.07050	54.8
83.04955	6.4
91.05487	25.7
93.07056	46.2
95.04968	18.3
95.08609	63.5
99.08116	9.3
101.76263	6.9
105.07050	54.8
107.08601	59.1
109.10151	45.5
111.08067	7.9
117.07060	6.8
119.08601	61.6
121.06525	13.8
121.10144	41.6
123.08037	9.6
123.11734	18.8
129.07004	7.1
131.08554	19.7
133.10132	35.4
135.08098	12.9
135.11703	21.1
136.04645	7.2
137.09642	12.0
143.08557	15.3
145.10144	40.1
147.04420	11.5
147.08096	16.8
147.11685	28.1
149.02339	6.7
149.09608	13.9
149.13269	12.9
151.11110	6.4
157.10167	15.3
159.11758	29.4
161.09641	15.4
161.13245	25.1
163.03906	6.9
163.11209	18.9
163.14879	18.0
165.09129	61.3
165.90851	7.4
169.10258	8.5
171.11702	14.0
173.09705	7.6
173.13222	31.3
175.11050	8.7
175.14874	33.0
177.08969	6.4
177.12750	9.1
177.16255	7.8
185.13301	9.3
187.14838	25.2
189.12706	7.0
189.16472	12.2
191.14307	9.5
191.17879	11.3
199.14784	6.9
201.12782	19.1
201.16367	10.0
203.14340	26.5
203.18001	17.8
203.89574	7.7
204.69945	7.2
215.14299	13.9
217.15767	10.3
219.13829	16.2
221.15350	9.2
235.16939	7.8
395.29651	8.9
397.34824	10.1
409.34982	15.3
419.29425	12.0
437.30518	24.2
455.30792	31.2
473.14297	6.7
473.32571	100.0
483.34747	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	473.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20952	2.5
51.02408	3.1
53.03946	8.4
55.01863	3.5
55.05514	29.4
57.03431	4.5
57.07063	4.3
59.05003	2.8
65.03941	3.8
67.05509	48.7
69.03442	6.5
69.07071	16.1
70.53725	5.0
70.54104	3.8
71.05003	4.8
79.05498	62.4
81.03425	82.8
81.07063	55.1
83.04980	15.0
83.08614	20.2
85.06551	2.8
91.05484	72.2
93.07053	63.0
95.04977	44.5
95.08615	51.3
97.02888	2.5
97.06529	8.0
97.10169	3.4
99.08110	20.6
105.07034	58.8
107.04974	8.6
107.08601	40.3
109.06532	10.4
109.10165	31.6
111.08076	12.1
117.07003	13.2
119.08590	59.9
121.06532	10.3
121.10146	33.8
123.08065	7.6
123.11703	6.2
125.09634	5.8
129.07022	21.1
131.08571	33.0
133.06480	6.1
133.10141	47.7
135.08061	22.4
135.11720	13.1
137.09587	5.2
142.07835	6.3
143.08554	14.4
145.06517	3.0
145.10127	27.7
147.08067	8.8
147.11703	43.1
149.02373	16.0
149.09671	14.6
149.13295	5.0
151.11191	10.0
155.08524	6.1
156.09430	5.9
157.10141	18.7
159.08081	9.0
159.11690	20.9
161.09651	13.4
161.13268	18.5
163.03856	4.1
163.11133	6.9
165.09097	4.9
169.10144	7.6
170.10954	3.2
171.08008	4.0
171.11713	30.9
173.09648	8.6
173.13268	27.5
175.11235	12.1
175.14822	12.8
177.12741	5.3
177.16504	4.6
181.84125	3.1
183.08093	3.2
183.11732	5.6
185.09625	7.5
185.13339	13.2
187.11197	9.4
187.14798	15.3
189.12750	17.5
189.16411	11.5
191.14349	8.3
193.04932	4.8
193.10374	3.5
193.12267	19.6
197.13300	5.0
199.11156	13.4
199.14906	3.5
201.12752	13.6
203.10738	3.2
203.14354	18.5
203.17973	5.3
205.15915	12.2
207.12000	4.3
207.13782	18.5
209.13219	4.0
213.12773	10.9
214.13614	5.3
215.14349	6.7
217.16028	3.0
219.13792	4.8
225.12732	5.4
227.14366	3.8
229.15900	3.0
231.13843	8.6
233.15448	10.1
234.68544	2.7
239.14388	3.8
241.15921	3.5
243.17720	3.3
249.14915	4.4
253.15880	4.7
255.17805	2.9
267.17581	3.9
269.18893	4.2
285.18488	19.0
333.22281	3.3
353.25232	2.9
365.24951	4.2
381.24139	5.5
383.25433	2.9
390.77997	2.5
401.28195	3.8
407.29474	9.3
409.34897	3.4
419.29352	15.5
425.30496	11.0
429.12094	4.1
437.30380	48.2
455.31610	100.0
473.14462	10.7
473.28207	24.3
473.32690	58.0
474.33255	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	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.6
53.28472	2.6
54.78545	2.4
55.01868	3.6
55.05510	7.1
57.03426	3.2
57.07064	2.8
67.05507	11.7
68.99770	3.5
69.03439	23.1
69.07061	10.0
70.06583	12.9
70.93869	5.0
70.94182	4.1
71.04999	7.3
72.08146	6.5
73.02917	4.0
79.05499	7.6
81.03420	21.7
81.07050	11.3
85.02911	20.6
85.06530	4.2
86.09707	21.8
87.00826	9.7
91.05482	10.9
93.07060	19.8
93.09694	2.8
95.04986	4.3
95.08613	79.5
97.02885	12.9
97.06523	3.2
99.04433	9.4
100.07656	3.9
105.01888	7.0
105.07038	31.4
107.08610	17.0
109.02899	13.8
109.06529	4.7
109.10159	8.4
117.07056	4.5
119.07771	6.0
119.08578	56.4
121.06494	5.2
121.10150	25.4
123.08104	20.1
123.23977	3.2
127.03929	18.3
131.05013	3.4
131.08591	7.8
133.06497	9.4
133.10143	31.3
135.08063	4.1
135.11713	63.2
137.09631	7.9
137.13289	5.3
145.10139	8.8
147.07997	7.4
147.11696	36.0
149.09633	25.1
151.07594	18.1
154.08641	4.2
156.09288	4.8
159.02922	7.0
161.09552	4.7
161.13264	100.0
163.03946	7.0
163.11226	6.1
165.09113	4.2
165.12781	3.2
171.11668	4.3
174.10425	11.9
179.14360	8.0
181.12206	5.6
189.12764	73.4
201.12764	4.4
207.13803	73.5
213.37338	3.0
223.07533	4.1
225.14853	7.2
233.06161	3.6
295.06171	3.4
318.33813	2.9
415.53131	3.6
417.83661	3.4
455.31509	3.1
473.22794	3.8
473.32129	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	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.2
57.07076	6.9
60.74290	2.9
61.25433	2.9
67.05519	28.3
69.03430	9.3
71.33073	5.6
81.03438	4.2
81.07063	5.5
85.02912	10.2
85.06564	7.0
87.00842	8.0
91.05521	3.5
93.07037	6.9
95.08613	100.0
97.02902	5.8
105.07043	6.4
107.08573	7.0
109.02920	4.8
110.23905	3.0
112.69720	2.9
113.05994	11.2
119.08582	19.9
121.06541	4.2
121.10178	5.4
123.08086	29.6
127.03934	8.3
133.10175	4.8
135.11703	13.0
137.09673	2.9
147.11726	6.0
149.09639	35.1
151.07552	4.2
151.14903	5.0
152.93121	2.9
161.13297	10.2
163.11293	4.6
165.12762	6.1
174.10561	3.2
187.11691	3.0
189.12759	16.1
207.13826	69.0
408.35446	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.7
57.03428	5.3
58.46656	4.3
61.02916	4.0
67.05511	27.6
67.54518	4.0
69.03446	10.2
70.06595	5.7
70.65456	9.9
70.65813	5.6
79.05499	7.2
81.03436	7.6
81.07036	9.3
84.75635	3.7
85.02912	23.6
85.06551	11.1
86.09728	10.1
87.00823	11.8
91.05504	10.1
93.07046	18.2
95.04972	6.3
95.08614	100.0
97.02913	7.8
97.06539	10.6
99.04465	6.3
103.05474	4.6
105.01880	11.7
105.07056	15.3
107.08607	29.4
109.02927	8.2
109.06513	4.7
109.10178	7.7
111.08106	5.7
113.06029	15.1
119.08626	19.4
121.10157	13.8
123.08094	41.0
127.03925	11.8
131.08575	18.2
131.71548	4.5
133.10069	8.3
135.11711	15.2
137.02367	4.1
137.09622	5.0
145.10048	5.6
146.42465	4.2
147.11690	13.5
149.09631	35.4
151.14839	4.5
161.13264	13.5
163.11214	10.3
165.12813	7.5
170.53058	4.0
177.05539	5.0
189.12772	29.4
207.13823	79.6
225.14940	9.4
417.20526	4.7
473.14908	4.7
473.22916	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	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12897	1.5
53.03949	3.4
55.01889	2.0
57.03429	1.7
59.31757	1.4
67.05503	7.6
69.03437	33.3
69.07059	6.8
69.47833	14.5
70.06593	2.8
73.30939	1.8
79.05499	5.3
81.03414	7.0
81.07071	9.2
81.85561	1.8
83.04971	5.9
85.02907	15.2
86.09705	4.7
87.00839	4.5
91.05476	4.5
91.14006	1.7
93.07053	6.5
95.04965	6.4
95.08614	13.1
97.02907	7.1
97.06512	3.7
97.70200	1.8
99.04467	2.5
105.01865	3.3
105.07050	13.1
107.04955	2.4
107.08591	6.6
109.02892	5.3
109.06514	7.4
109.10161	4.5
111.08110	4.2
119.08572	9.9
121.06540	3.9
121.10177	12.7
123.04439	11.7
123.08107	11.0
123.11711	4.3
125.09637	3.1
127.03922	7.6
131.08548	2.6
133.06499	5.2
133.10141	17.0
137.05995	2.7
137.09615	13.0
139.11195	15.4
143.08672	2.4
145.05008	3.1
145.10139	2.6
147.08055	2.4
147.11713	11.3
149.09633	11.7
151.07584	9.8
152.08272	1.8
156.09369	4.8
159.11722	2.4
161.09599	1.9
161.13278	8.1
163.03934	1.8
163.11214	2.7
163.56520	1.8
165.12834	2.9
171.11708	5.5
174.10361	4.1
179.14319	2.5
189.12770	30.7
207.13824	100.0
225.14874	37.2
286.99734	1.6
319.02594	2.4
473.15912	3.4
473.31406	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.0
57.19233	2.4
67.05495	9.0
69.03422	6.8
69.07066	3.6
70.87039	3.2
70.87386	5.0
71.05003	3.7
79.05475	2.9
81.03429	2.8
81.07051	5.7
85.02899	13.3
86.09669	2.4
87.00819	7.4
91.05479	8.7
93.07047	9.8
95.04982	6.4
95.08585	7.8
97.02905	6.8
99.04505	2.1
105.01865	8.6
105.07043	21.3
107.08592	24.4
109.02888	6.4
109.06506	7.4
109.10149	16.7
117.07034	4.1
119.08584	41.6
121.06505	8.2
121.10157	4.4
123.08075	48.5
127.03934	11.8
130.50688	2.1
131.08606	5.8
133.06499	2.6
133.10133	11.1
135.08066	8.4
137.09619	54.4
143.08519	2.7
145.02855	3.5
145.04959	3.4
147.08028	5.0
147.11691	30.8
156.09341	4.8
159.11685	19.6
161.09625	2.8
161.13264	20.3
171.11693	2.4
177.12793	11.2
189.12762	12.3
207.13805	100.0
225.14864	8.3
287.87000	2.4
468.84894	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01872	5.1
55.05502	1.7
57.03437	3.8
57.05065	0.6
57.29191	0.6
60.06125	0.8
61.02936	4.1
67.05500	2.9
68.99791	1.1
69.03077	1.4
69.03436	24.4
69.07074	1.2
71.01351	0.9
71.05012	3.5
71.58521	1.0
73.01425	0.7
73.02935	4.9
79.05493	1.5
80.87686	0.7
81.03424	20.4
81.07058	2.9
82.57385	0.6
83.04975	6.1
85.02914	41.9
86.09704	2.8
87.00837	18.3
91.03955	1.1
91.05495	2.3
93.07030	2.4
95.04961	2.8
95.08605	5.1
97.02908	16.9
97.06542	2.3
99.04467	9.6
99.08099	7.7
105.01875	14.3
105.07033	3.2
107.04903	0.7
107.08603	4.5
109.02893	21.9
109.06532	24.8
109.10156	2.5
111.04459	9.4
115.03941	0.8
117.01856	1.4
117.35788	0.7
119.04952	0.9
119.08602	5.2
121.06509	3.1
121.10148	6.2
123.08082	100.0
123.11730	1.3
125.09618	4.8
127.03928	34.2
129.01848	3.2
131.08620	1.2
133.06531	1.4
133.10133	2.0
135.08044	1.0
135.11748	1.4
137.09627	1.9
145.04976	12.7
145.10162	1.8
147.02893	1.7
147.04492	0.8
147.08063	1.5
147.11731	2.5
149.09618	9.1
151.07484	1.3
151.11197	2.8
159.02878	8.9
159.03934	0.9
161.09573	0.8
161.13361	2.0
163.03963	0.9
163.11212	2.0
165.09171	2.7
165.12779	2.2
167.10683	9.0
171.11734	1.4
181.12225	8.2
189.03983	1.4
189.12756	3.8
191.14235	0.8
204.64377	0.9
205.12238	1.3
207.13814	15.9
213.03773	0.9
225.14880	28.6
231.05006	6.3
376.90503	0.7
427.08261	0.9
439.72501	0.7
473.32187	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	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.1
54.54895	1.5
55.01862	2.9
55.05511	5.4
62.29707	1.4
67.05521	9.7
69.03438	32.4
69.07069	5.8
70.06593	2.7
70.65623	4.8
71.04974	1.8
75.35480	1.6
79.05506	8.2
81.03423	9.9
81.07065	11.5
83.04992	2.5
84.08158	1.6
85.02914	10.7
85.06512	1.4
86.09706	3.4
87.00836	4.6
91.05477	5.4
93.07060	9.8
94.19185	1.6
95.04987	6.6
95.08605	8.1
97.02882	6.2
97.06554	4.3
99.04453	2.2
103.05486	1.7
105.07039	15.5
107.04947	3.1
107.08594	8.2
109.02876	5.0
109.06511	6.5
109.10165	3.1
110.07281	1.6
111.08090	5.9
117.07012	2.7
119.04920	1.7
119.08597	10.6
121.06524	3.9
121.10136	7.9
122.07287	1.9
123.04440	15.8
123.08076	6.3
127.03925	8.6
131.04941	5.3
132.95872	2.0
133.06511	3.4
133.10135	17.1
135.11676	1.9
137.05984	5.3
137.09610	11.3
139.11189	10.0
142.27928	1.5
143.08551	1.7
145.04893	2.1
145.10136	5.5
147.04425	3.1
147.08044	2.8
147.11710	11.7
149.09613	4.0
150.96867	1.8
151.07571	3.2
153.17216	1.6
156.09309	1.8
159.11700	2.8
161.09641	1.9
161.13271	6.7
163.03928	1.6
163.11160	4.9
171.11746	3.7
174.96941	2.9
189.12752	13.1
204.14619	1.6
207.13824	100.0
209.15375	2.5
225.14941	15.5
267.06799	2.6
270.88962	1.5
387.10934	2.6
431.78809	2.0
473.21082	4.9
473.32025	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	472.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.4
55.01871	8.2
55.05507	2.6
56.87286	2.0
57.03420	6.8
61.02927	3.9
67.05511	2.9
68.99796	3.4
69.03433	30.6
69.07101	2.1
70.11014	9.3
71.05004	7.7
72.79820	2.1
73.02921	11.4
79.05503	3.2
81.03430	29.9
81.07051	6.9
83.05001	4.2
85.02914	99.3
87.00836	39.8
91.05476	8.5
93.07028	5.9
95.04985	3.9
95.08611	5.3
97.02901	57.2
97.03518	4.4
97.06532	3.3
99.04465	18.9
105.01877	54.8
105.03389	21.4
105.07012	3.5
106.07346	2.9
107.08610	7.2
109.02890	33.5
109.10168	4.0
111.04475	2.8
111.08087	2.3
117.01883	4.7
119.08559	5.1
120.08908	2.6
120.33849	2.0
121.10150	6.6
122.10506	2.2
123.04426	4.6
127.03925	100.0
128.25577	2.0
129.01817	4.4
131.08534	4.1
133.10164	11.7
134.10464	6.4
137.09602	5.8
138.08966	2.2
145.04970	64.3
145.06099	2.1
145.10115	3.1
147.02879	4.4
157.10263	3.0
159.02885	26.2
159.11737	3.7
163.03883	2.7
165.09158	4.4
173.09698	2.9
177.04022	2.4
189.09058	3.7
191.14322	4.5
192.14665	4.0
193.08678	2.7
201.16350	2.3
205.15875	2.5
213.03993	6.8
231.05011	29.0
249.05962	5.8
315.10681	2.7
404.29169	2.2
408.32983	3.1
456.65485	2.1
472.31549	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.3
55.05505	15.8
57.07067	6.5
67.05513	20.2
69.03433	7.3
69.07069	16.6
71.60029	5.8
79.05499	26.0
81.07062	46.9
83.04970	3.9
83.08620	14.3
88.74153	4.0
91.05485	20.1
93.07040	47.1
95.04972	8.6
95.08612	74.9
96.67398	4.1
97.06574	4.9
99.08089	6.1
105.07034	60.3
107.08597	60.3
109.06521	10.0
109.10178	43.0
111.08071	7.7
113.06013	4.5
117.07000	10.6
119.08587	100.0
121.06515	9.8
121.10156	49.7
121.50247	4.0
123.08112	5.3
123.11709	9.9
124.97470	3.8
125.09639	8.3
129.06973	7.8
130.07703	4.3
131.08589	43.4
133.06519	4.5
133.10139	59.3
135.08029	20.3
135.11696	30.7
137.09602	8.2
143.08585	19.7
145.10107	52.9
147.08115	6.7
147.11693	38.3
149.09654	8.9
149.13271	26.4
151.07610	5.0
151.11247	6.5
155.08517	6.1
155.25601	4.7
156.09415	5.4
157.10149	19.7
159.11697	37.1
161.09669	10.2
161.13298	32.3
163.11234	4.4
163.14859	20.0
165.09158	9.3
171.08020	5.5
171.11769	12.4
173.09618	7.8
173.13271	41.2
175.07506	3.9
175.11198	6.0
175.14827	31.1
177.16376	23.9
179.14267	5.6
183.11775	7.4
184.08875	8.0
185.13274	16.5
187.14861	44.3
189.16418	38.3
191.14323	18.4
191.17975	7.5
199.11212	26.0
199.14825	17.0
201.12846	9.0
201.16386	55.1
203.14336	48.2
203.17960	29.0
205.15884	27.7
211.11096	5.5
213.12831	6.7
213.16426	15.8
215.18030	13.4
217.12259	15.1
217.15973	12.8
219.17470	14.2
221.15404	7.8
227.17841	5.2
229.19614	6.3
231.13861	8.1
232.50458	4.7
233.19048	6.8
235.17039	6.4
247.16998	7.7
261.18689	7.6
389.31897	6.0
407.33093	35.3
425.34198	19.2
435.32483	18.0
453.33701	18.8
471.30893	56.7
471.35220	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	471.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
53.46320	1.4
55.05515	11.5
57.07072	2.9
63.07353	1.7
65.03946	2.6
65.51974	1.9
67.05518	13.9
68.02899	1.5
69.03434	4.6
69.07075	17.7
70.06589	2.0
70.52970	5.7
71.04992	2.0
79.05499	18.5
81.03396	2.6
81.07062	37.0
83.04980	3.7
83.08618	7.1
85.02904	3.4
85.06543	2.6
86.09726	2.2
91.05476	23.0
93.07050	33.0
95.04991	4.8
95.08611	51.0
97.02911	3.0
97.06519	4.6
97.10156	3.0
99.04434	2.5
99.08119	2.2
105.07032	45.3
107.04959	3.6
107.08595	53.5
109.06523	5.2
109.10163	29.8
111.04473	1.6
111.08089	5.1
117.07016	9.4
119.04882	2.1
119.08585	81.8
120.08933	2.1
120.13921	1.6
121.06535	4.5
121.09316	2.6
121.10154	41.4
123.08092	4.4
123.11712	7.3
127.03947	3.4
128.06183	2.2
128.73000	1.9
129.07034	4.8
130.07755	2.3
131.08578	20.6
133.10133	55.3
135.08078	8.4
135.11700	21.2
137.09610	6.9
143.08565	7.9
144.09325	2.6
145.10129	54.7
147.04439	4.5
147.08054	3.0
147.11697	40.9
149.06154	1.8
149.09633	5.6
149.13264	13.9
153.09064	1.9
155.08611	2.9
157.10135	11.0
158.10880	4.7
159.08084	3.1
159.10446	3.0
159.11708	45.5
161.09593	2.7
161.13252	26.8
163.03938	5.9
163.07578	3.0
163.11197	11.9
163.14839	13.7
165.09036	3.0
169.10170	4.8
170.10948	2.0
171.11659	10.6
172.12357	2.2
173.13271	23.9
175.11241	2.4
175.14836	37.1
177.12764	6.5
177.16386	29.8
179.14331	3.0
181.01633	1.9
183.11707	5.6
185.13274	10.0
187.11272	2.3
187.14839	45.6
188.15193	2.6
189.12779	6.4
189.16389	36.5
191.10588	1.8
191.14406	10.4
191.17999	7.1
193.15796	2.3
197.13188	2.3
199.11165	3.2
199.14880	8.5
201.12666	2.9
201.16393	62.0
202.16696	2.3
203.14265	4.1
203.17972	15.8
205.15894	100.0
207.17516	12.4
211.14955	2.2
213.12679	2.3
213.16338	10.3
215.14302	2.6
215.17979	4.7
217.15913	5.2
217.19492	2.7
219.17427	24.4
221.15384	4.8
223.16922	5.0
227.17969	3.5
229.16005	4.0
229.19606	2.5
231.13849	2.6
231.17322	2.6
233.19003	2.2
241.19408	2.1
247.16991	7.4
265.18048	5.0
309.07693	3.0
389.32092	4.1
395.32892	8.9
407.33130	52.5
409.34747	2.2
425.28754	2.7
425.34186	30.1
435.28329	3.5
435.33264	2.2
453.34201	20.7
471.30225	31.6
472.31305	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	471.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
53.46320	1.4
55.05515	11.5
57.07072	2.9
63.07353	1.7
65.03946	2.6
65.51974	1.9
67.05518	13.9
68.02899	1.5
69.03434	4.6
69.07075	17.7
70.06589	2.0
70.52970	5.7
71.04992	2.0
79.05499	18.5
81.03396	2.6
81.07062	37.0
83.04980	3.7
83.08618	7.1
85.02904	3.4
85.06543	2.6
86.09726	2.2
91.05476	23.0
93.07050	33.0
95.04991	4.8
95.08611	51.0
97.02911	3.0
97.06519	4.6
97.10156	3.0
99.04434	2.5
99.08119	2.2
105.07032	45.3
107.04959	3.6
107.08595	53.5
109.06523	5.2
109.10163	29.8
111.04473	1.6
111.08089	5.1
117.07016	9.4
119.04882	2.1
119.08585	81.8
120.08933	2.1
120.13921	1.6
121.06535	4.5
121.09316	2.6
121.10154	41.4
123.08092	4.4
123.11712	7.3
127.03947	3.4
128.06183	2.2
128.73000	1.9
129.07034	4.8
130.07755	2.3
131.08578	20.6
133.10133	55.3
135.08078	8.4
135.11700	21.2
137.09610	6.9
143.08565	7.9
144.09325	2.6
145.10129	54.7
147.04439	4.5
147.08054	3.0
147.11697	40.9
149.06154	1.8
149.09633	5.6
149.13264	13.9
153.09064	1.9
155.08611	2.9
157.10135	11.0
158.10880	4.7
159.08084	3.1
159.10446	3.0
159.11708	45.5
161.09593	2.7
161.13252	26.8
163.03938	5.9
163.07578	3.0
163.11197	11.9
163.14839	13.7
165.09036	3.0
169.10170	4.8
170.10948	2.0
171.11659	10.6
172.12357	2.2
173.13271	23.9
175.11241	2.4
175.14836	37.1
177.12764	6.5
177.16386	29.8
179.14331	3.0
181.01633	1.9
183.11707	5.6
185.13274	10.0
187.11272	2.3
187.14839	45.6
188.15193	2.6
189.12779	6.4
189.16389	36.5
191.10588	1.8
191.14406	10.4
191.17999	7.1
193.15796	2.3
197.13188	2.3
199.11165	3.2
199.14880	8.5
201.12666	2.9
201.16393	62.0
202.16696	2.3
203.14265	4.1
203.17972	15.8
205.15894	100.0
207.17516	12.4
211.14955	2.2
213.12679	2.3
213.16338	10.3
215.14302	2.6
215.17979	4.7
217.15913	5.2
217.19492	2.7
219.17427	24.4
221.15384	4.8
223.16922	5.0
227.17969	3.5
229.16005	4.0
229.19606	2.5
231.13849	2.6
231.17322	2.6
233.19003	2.2
241.19408	2.1
247.16991	7.4
265.18048	5.0
309.07693	3.0
389.32092	4.1
395.32892	8.9
407.33130	52.5
409.34747	2.2
425.28754	2.7
425.34186	30.1
435.28329	3.5
435.33264	2.2
453.34201	20.7
471.30225	31.6
472.31305	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05507	8.6
57.03433	3.7
57.07077	3.5
60.39982	2.6
67.05519	19.2
69.03431	5.5
69.07064	15.1
70.06573	2.5
79.05489	16.7
81.03413	4.8
81.07063	28.5
83.04997	4.8
83.08613	6.2
85.02898	2.8
91.05491	24.8
93.07060	39.6
95.04966	5.7
95.08617	36.9
97.02864	3.1
97.06535	4.1
99.08096	10.2
101.38898	2.3
105.07041	47.0
105.07689	5.0
107.04957	3.7
107.08599	58.1
109.06538	2.7
109.10168	27.9
111.08115	4.7
115.05428	3.1
117.07024	9.4
119.08589	71.2
121.02824	4.0
121.06477	6.1
121.10151	39.5
123.08083	5.8
123.11703	10.0
125.09566	2.8
127.03877	2.5
128.06274	3.0
129.07025	3.2
130.06567	3.2
130.07773	3.2
131.08572	39.8
133.10135	46.5
135.08060	7.0
135.11693	26.9
137.09581	7.4
143.08563	8.8
145.10149	45.7
146.66922	2.5
147.04433	10.7
147.08040	5.3
147.11696	54.5
149.09625	6.6
149.13283	11.4
153.42445	2.5
155.08530	3.6
157.10120	12.3
159.08057	6.6
159.11705	33.7
161.09642	4.4
161.13277	19.8
163.03888	4.5
163.11189	10.1
163.14836	10.8
165.09157	5.6
169.10150	5.8
171.08029	3.4
171.11670	11.3
172.12460	2.8
173.09560	6.0
173.13252	21.9
175.11226	6.7
175.14848	20.9
177.12773	5.4
177.16422	24.4
183.11703	6.5
185.13237	12.1
187.14836	53.9
189.16376	26.6
191.14334	4.9
191.17952	4.7
195.11749	4.1
197.13171	4.5
199.11198	5.7
199.14873	8.0
201.12767	5.0
201.14548	5.7
201.16402	90.7
203.14334	2.9
203.18013	11.5
205.15903	100.0
207.17456	13.1
211.14813	5.6
213.12700	4.9
213.16350	8.4
215.14418	3.3
215.17938	7.5
217.12241	15.4
217.15913	3.7
219.13756	4.4
219.17458	11.1
221.15424	4.4
223.13321	5.3
223.16975	8.8
227.14180	3.8
227.17850	4.4
231.17477	5.0
247.16911	8.2
309.07639	7.6
403.13110	2.4
407.33102	40.6
417.27777	6.5
425.34323	18.9
435.28271	5.4
435.33304	4.4
453.29858	10.9
471.15991	3.5
471.30817	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
55.05507	15.8
67.05507	23.2
69.03419	5.8
69.07079	20.9
70.85388	3.7
70.87785	3.2
79.05476	16.6
81.07065	56.3
83.08601	9.7
83.32102	3.3
91.05479	22.7
93.07051	46.3
95.04955	8.5
95.08614	76.3
97.06512	11.8
97.10165	5.0
105.06390	5.1
105.07038	62.9
107.08604	88.9
109.06524	7.5
109.10162	52.9
111.08045	10.7
117.07024	5.1
119.08582	89.8
121.06557	7.6
121.10154	67.7
123.08089	6.0
123.11719	22.2
125.09647	11.2
130.06541	6.6
131.08600	37.2
133.10147	70.5
135.08118	5.6
135.11684	41.9
137.09616	4.7
143.08566	11.7
145.10121	56.2
147.11699	44.3
149.09622	11.0
149.13257	30.2
157.10120	15.2
158.10934	4.9
159.11696	47.4
161.13277	47.4
163.03848	3.8
163.11220	5.1
163.14848	32.9
169.10106	4.1
171.11652	10.0
173.13260	44.4
175.14836	55.6
177.12708	4.1
177.16397	40.6
183.11839	4.4
183.70047	3.5
185.13263	10.3
187.14827	65.2
189.16386	69.6
191.14383	30.4
191.17906	17.3
193.15909	5.4
199.14832	23.4
201.16414	56.4
203.14270	14.0
203.17975	100.0
205.15897	13.7
207.17511	5.3
213.16365	29.8
215.17906	26.0
217.15810	7.5
217.19502	6.6
219.17467	21.5
221.15364	17.5
227.18033	5.0
229.15987	3.8
231.17438	5.5
231.21054	4.5
233.19073	7.2
235.16780	7.9
241.19667	4.8
247.16957	12.0
249.18494	20.5
259.16977	4.5
261.18527	6.5
377.32004	5.1
389.31982	15.1
395.33237	4.1
407.33105	58.3
409.34634	11.1
423.32498	9.7
425.34210	56.0
435.32813	22.2
453.33743	21.5
471.34915	71.1
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	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
54.11231	4.2
55.05518	9.5
65.46216	3.9
67.05508	14.3
69.07058	12.6
69.65135	24.2
79.05494	19.6
80.63699	4.3
80.78876	3.8
81.07066	29.4
83.08609	8.5
86.73489	3.8
91.05482	27.9
93.07057	27.8
95.04967	4.7
95.08616	52.6
99.08106	17.7
105.07034	65.0
107.07892	5.3
107.08602	90.1
109.10148	37.6
117.07022	7.5
119.08592	100.0
121.10162	63.8
123.11715	21.3
131.08565	37.0
133.10139	72.5
135.11716	31.3
137.09616	8.6
139.11136	4.1
140.04176	4.0
143.08539	10.4
145.10138	51.7
147.11697	63.2
149.13249	14.7
151.11136	4.5
157.10156	16.7
158.10936	4.7
159.11708	44.0
161.13307	23.6
163.14914	8.5
169.10190	5.9
171.11679	11.2
173.13271	32.2
175.14835	26.7
177.16400	16.7
179.14383	5.5
185.13292	11.6
187.14844	65.6
189.16374	65.2
191.17950	13.7
199.14807	8.6
201.16411	60.5
203.14279	5.3
203.17970	13.8
205.15976	10.9
207.17488	14.4
211.14728	6.0
213.16397	17.6
215.17975	56.8
217.19499	4.5
219.17410	11.1
227.17957	9.2
229.19537	5.9
231.17494	5.0
306.87759	4.5
335.27414	10.1
353.27997	4.7
389.31921	10.2
397.34714	5.6
407.33112	85.7
425.34213	10.1
435.32571	6.3
453.33621	71.7
471.34485	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	471.3471
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.70322	0.7
55.05510	3.0
56.82740	0.7
59.81282	0.7
67.05513	4.2
69.07084	5.0
79.05499	4.2
80.89639	0.7
81.07065	9.6
83.04974	3.3
83.08633	2.5
85.06585	0.8
91.05495	4.6
93.07051	10.5
95.04995	2.3
95.08611	17.3
97.06556	1.7
97.10185	1.9
98.98476	1.1
105.07043	12.3
107.08600	16.2
109.06536	2.2
109.10151	10.8
111.08099	1.6
116.07575	0.8
117.07009	1.2
119.07788	1.4
119.08593	18.9
121.10149	11.0
123.04427	1.6
123.08026	1.3
123.11687	4.4
129.07005	1.3
131.08594	5.9
133.10152	11.1
135.08080	1.1
135.11696	11.6
137.09581	0.8
137.13303	1.9
139.11203	1.4
143.08568	3.7
145.10138	8.5
147.08051	1.6
147.11684	7.7
149.09654	2.1
149.13280	3.0
153.09109	1.0
155.08708	1.0
157.10158	4.4
159.11697	6.5
161.09662	3.4
161.13330	4.3
163.11168	0.9
163.14848	3.1
169.10191	1.8
171.11702	3.9
173.13278	5.6
175.11212	1.4
175.14827	10.4
177.16389	5.0
183.11668	1.3
185.13248	2.6
187.14810	8.0
189.12778	1.5
189.16393	21.0
191.17938	4.1
197.13329	2.1
199.14827	4.5
201.16422	6.4
203.17995	2.1
205.15842	5.7
207.17477	2.6
211.14886	1.7
213.16409	2.4
215.14391	1.8
215.17955	2.2
217.15900	8.9
218.96278	0.7
219.17461	1.8
223.16937	3.2
225.16302	0.9
227.17973	1.5
229.51680	1.0
233.19020	0.9
235.16934	8.4
241.19499	1.4
243.21135	1.2
245.19049	0.9
247.16907	1.9
253.19563	2.9
257.18985	1.3
263.16406	1.0
267.20987	1.3
271.20599	6.3
317.21442	0.9
319.81195	0.8
407.32993	5.6
425.34149	11.5
426.34412	0.8
435.32663	2.0
453.33591	4.0
471.34726	100.0
472.35107	3.5
485.86612	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	471.3472
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05510	8.4
67.05510	11.0
69.07072	11.7
71.37357	4.4
71.37699	6.9
79.05504	11.6
81.07078	25.1
83.08645	7.5
83.61434	4.2
87.60182	4.5
90.47260	4.6
91.05478	15.6
93.07040	21.3
95.08619	35.0
105.07040	35.4
107.08595	38.7
109.10172	28.0
117.07056	6.1
119.08586	43.4
121.10161	42.3
123.11726	11.0
131.08620	24.3
133.10146	35.0
135.11688	16.2
145.10139	38.5
147.11670	26.5
149.13293	17.2
157.10162	8.8
157.17696	4.5
159.11696	32.8
161.13283	16.4
163.11169	11.4
163.14871	14.8
173.13264	18.1
175.14856	28.4
177.16353	20.6
185.13240	5.2
187.14847	39.3
189.16441	42.1
201.16406	100.0
203.17978	33.2
203.48932	4.5
205.15895	60.3
207.17537	10.3
215.17917	10.1
219.17474	5.6
223.16956	20.4
247.17027	23.8
299.40131	4.8
407.33109	35.4
425.34167	33.4
471.34784	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	471.3472
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
52.05247	5.5
53.36426	6.5
55.05504	20.1
58.77809	5.1
67.05505	24.1
69.07069	20.5
69.61139	29.7
69.61563	14.9
79.05491	16.5
81.07069	54.2
83.08600	12.2
91.05488	23.5
93.07044	46.5
95.08623	90.2
95.09192	5.4
97.06563	8.6
105.07062	46.7
107.08604	100.0
109.10142	48.3
111.08082	11.0
113.74055	5.9
117.07056	11.1
119.08599	93.6
121.10170	58.1
123.08039	9.3
123.11729	15.9
125.09638	23.0
131.08577	29.8
133.10139	55.0
135.11681	40.7
143.08556	12.5
145.10127	45.6
147.11679	25.8
149.13214	17.2
153.09087	6.4
157.10010	6.5
159.11713	42.6
161.13260	30.7
163.14761	10.6
171.11736	7.5
173.13272	28.9
175.14844	34.1
177.16409	13.4
180.95844	6.0
185.13271	6.6
187.14851	53.2
189.16376	45.7
191.17996	25.6
199.14740	14.4
201.16411	71.1
203.17964	24.6
204.00996	6.4
205.15955	6.8
213.16367	8.3
215.17987	20.7
219.17496	14.6
235.17029	9.0
239.18050	7.0
241.19585	8.2
247.17047	28.3
261.18381	11.6
268.22992	6.1
327.23224	8.2
386.76007	5.9
389.31836	14.6
407.33002	53.6
423.32281	8.9
425.34171	19.3
435.32568	21.3
453.33658	16.5
454.27768	6.3
471.34857	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	471.3473
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
52.38903	6.0
55.05519	14.8
56.34647	6.2
58.61592	6.0
67.05501	28.4
69.07065	16.5
70.81665	14.5
70.81998	8.8
79.05501	25.7
80.03349	6.3
81.07066	41.5
83.05070	7.2
83.08632	6.2
91.05484	22.4
93.07053	50.1
95.08621	75.0
97.06554	9.5
105.07018	48.5
107.08589	100.0
109.10168	49.9
117.07040	11.6
119.08590	79.3
119.62006	5.9
121.10163	54.0
123.08007	10.8
123.11739	10.7
125.09640	25.7
131.08575	32.2
133.10152	45.4
135.11710	39.7
143.08565	10.9
145.10149	67.8
147.11667	35.4
149.13283	16.1
157.10143	17.8
159.11679	49.8
161.13312	30.3
163.11185	7.3
163.14841	24.7
171.11722	7.5
173.13306	35.2
175.14896	43.1
177.16441	23.3
185.13332	11.4
187.14827	58.7
189.16438	65.8
191.17931	12.6
193.16031	9.7
199.14963	14.9
201.16391	98.6
203.18002	27.2
213.16391	26.1
215.17914	32.9
217.15907	11.1
219.17479	26.7
225.98286	6.2
227.17920	10.1
229.19673	11.0
231.17455	8.8
235.16974	13.5
247.16827	15.8
265.15234	6.5
278.08655	5.8
308.34024	6.0
349.71497	7.4
389.32071	15.0
407.33151	62.0
425.34109	19.0
435.32559	30.0
453.33923	22.3
471.34781	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05511	9.2
57.07074	8.8
66.16131	2.0
67.05511	24.5
69.07062	16.3
69.64579	3.6
69.64996	10.8
79.05494	13.6
81.07059	79.7
81.27515	2.4
83.08610	8.2
91.05488	11.3
93.07053	18.0
95.08611	100.0
97.06511	2.2
97.10139	3.7
105.07040	16.4
107.08608	23.0
109.10162	40.4
117.06995	3.9
119.08594	36.6
119.09437	3.0
121.10136	24.1
122.16130	2.2
123.11722	39.2
131.08578	8.6
133.10132	17.2
135.08058	3.0
135.11685	10.3
137.13263	56.8
143.08632	6.4
145.10173	15.1
147.11679	12.5
149.13260	6.3
151.07547	2.5
151.14819	3.8
157.10149	10.1
159.11725	17.3
161.13252	9.1
163.07558	5.0
163.14825	4.7
169.10199	5.0
171.11696	9.6
173.13284	12.5
175.14873	6.8
177.09204	3.6
177.16371	6.9
179.17955	12.6
183.11685	6.0
185.13242	6.2
187.14828	12.9
189.16406	9.0
191.18045	2.7
197.13274	2.5
199.14851	4.9
201.16481	14.9
203.17928	5.0
205.15900	7.3
211.14803	5.2
213.16388	24.1
215.17950	3.8
217.15849	2.3
219.17427	4.2
223.14880	3.1
227.18053	3.6
229.15739	2.5
231.17441	5.1
239.14307	3.1
247.17055	4.9
251.23447	2.6
257.15402	9.6
259.16928	15.7
262.55026	2.3
273.14835	2.4
284.27206	2.8
299.20123	3.4
407.33032	9.2
425.34021	7.0
435.32568	7.0
437.34076	9.1
453.33807	8.7
471.35095	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	471.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.0
67.05508	7.2
69.07067	11.5
69.58832	15.0
69.59253	5.4
79.05490	10.2
81.07056	15.8
83.08613	6.1
91.05495	10.8
93.07053	22.3
95.08614	31.0
98.20759	5.8
99.08077	5.3
105.07030	25.1
107.08595	40.1
109.10145	11.3
119.08588	53.1
121.10158	32.1
122.96546	2.5
123.11720	5.6
131.08575	31.4
133.10152	34.7
135.11690	20.3
137.09605	3.7
143.08562	4.1
145.10133	30.3
147.11705	60.2
149.13249	9.8
157.10152	4.3
159.11697	22.3
161.13327	12.9
163.11162	9.8
163.14807	4.8
171.11681	5.3
173.13313	11.8
175.14816	24.5
177.16405	31.4
187.14844	44.4
189.16362	16.1
191.18002	6.1
201.16409	96.5
203.17992	7.7
205.15894	100.0
207.17456	12.4
213.16418	4.2
215.17929	4.8
219.17406	12.9
223.16974	3.8
229.19783	3.8
231.17546	3.4
247.16992	6.0
314.46683	3.1
353.28381	4.3
389.31808	4.4
407.33102	28.3
425.34210	21.0
435.32687	3.2
453.33530	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	471.347
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
55.05515	16.6
55.76542	2.4
57.03457	3.4
60.62592	2.2
67.05217	2.8
67.05510	29.6
69.03427	10.5
69.06048	2.3
69.07074	17.8
70.19476	11.1
71.73267	2.5
79.05499	22.7
81.07059	59.4
83.08624	7.7
91.05474	21.8
93.07049	54.1
93.36658	2.4
95.04958	3.8
95.08611	95.0
95.09222	4.9
97.06532	13.6
97.10197	5.5
99.08081	3.7
105.07043	56.6
107.08596	92.4
109.06528	5.3
109.10162	66.8
111.08073	6.1
117.07024	10.0
119.08585	97.4
121.10150	67.6
123.08092	7.9
123.11717	22.0
125.09632	17.4
129.06999	6.2
131.08569	37.1
133.10139	70.4
135.08136	2.7
135.11699	57.0
137.13274	4.7
143.08565	11.6
144.09293	4.6
145.10124	66.9
145.73212	2.6
147.11697	39.5
149.09636	7.9
149.13283	18.6
151.11185	4.1
153.09114	3.6
155.08537	3.7
157.10149	14.2
158.10896	3.3
159.11702	53.5
161.13281	34.7
163.11223	2.8
163.14812	19.2
167.37088	3.2
171.11725	8.4
173.13254	36.5
175.14828	35.9
177.09053	5.7
177.12820	3.5
177.16382	16.6
179.14375	8.1
183.11742	4.0
185.13300	11.2
187.14844	68.5
189.16405	66.5
191.14331	7.1
191.17921	19.7
193.15926	6.8
197.13390	4.0
199.14832	14.6
201.16385	92.4
203.14383	2.9
203.17947	19.3
205.15916	9.6
207.17299	3.4
211.14925	3.5
213.16405	26.7
215.17957	34.5
217.15907	7.7
217.19492	3.4
219.17450	28.9
221.15186	3.1
225.16376	4.2
227.17982	9.6
229.15987	4.0
229.19516	6.5
231.17514	4.2
233.18994	12.6
235.16943	14.7
241.19589	5.8
243.21179	3.2
245.19118	3.0
247.16931	24.6
253.19606	4.0
255.21078	4.2
261.18604	11.6
265.19504	3.3
267.21021	3.7
269.22815	3.1
281.22549	2.6
283.24203	6.9
311.23572	3.9
329.24844	10.5
364.34976	2.8
389.32144	18.4
407.33084	100.0
408.32840	4.5
409.34515	3.8
423.32593	12.4
425.34186	5.6
435.32568	35.1
453.33798	22.5
471.34689	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
54.16048	4.2
55.05503	10.9
67.05499	13.3
69.07062	12.0
69.61192	25.0
69.61579	4.4
72.94083	3.9
77.06132	3.3
78.66475	3.3
79.05496	9.1
81.07065	39.9
83.08611	3.9
89.81940	3.7
91.05476	13.3
93.07057	31.0
95.04980	4.9
95.08618	67.9
97.06552	8.6
97.10183	6.8
98.33908	3.4
105.07025	47.2
107.08594	54.8
109.06519	8.1
109.10166	41.5
117.07024	3.1
119.08591	62.6
121.06495	7.1
121.10143	40.1
123.08086	4.8
123.11698	12.8
125.09620	6.3
131.08582	26.2
133.10147	56.0
135.11714	28.5
143.08595	5.7
145.10121	39.1
147.11714	39.0
149.09621	5.4
149.13306	18.8
157.10114	13.1
159.11687	35.6
161.13289	32.3
163.11227	6.7
163.14851	26.1
171.11665	6.8
173.13266	32.2
175.14819	33.7
177.16400	29.5
181.10526	3.8
185.13312	7.4
187.14842	45.8
189.16388	60.8
191.14296	38.2
191.17924	12.3
193.12248	8.4
193.15913	6.8
199.14838	10.2
201.16376	43.6
203.14568	8.3
203.17975	100.0
205.15851	11.9
205.19540	3.9
209.74886	3.9
213.16434	17.9
215.17995	18.1
217.15894	12.5
217.19600	6.5
219.17480	10.7
221.15340	20.5
223.16763	4.4
231.17442	5.8
231.20908	4.3
231.70641	4.0
247.16907	4.9
249.18535	14.1
261.18515	5.2
272.24756	3.6
286.36160	3.8
389.32022	10.3
395.33191	7.1
407.33081	44.0
409.34576	6.1
423.32590	5.2
425.34189	60.8
426.34491	3.7
435.32425	15.5
441.66330	4.6
453.33664	14.8
471.34653	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	471.3472
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05500	37.5
57.03428	13.3
57.07072	11.4
65.03968	8.3
67.05503	63.8
69.07069	51.4
69.57150	59.7
72.87995	8.0
73.70049	8.1
79.05476	27.3
81.07076	64.8
83.08607	21.6
85.06538	8.7
91.03894	7.2
91.05458	26.9
93.07033	47.1
95.08607	100.0
105.07029	49.9
107.08612	57.3
109.10152	58.2
117.06992	13.7
119.08583	86.1
120.68167	8.3
121.10156	58.1
123.11689	15.2
125.09662	8.9
131.08565	31.7
133.10136	64.4
134.98201	98.4
135.08081	24.2
135.11711	25.4
137.13261	9.1
145.10083	42.1
147.11708	43.1
149.13263	21.9
152.39543	7.5
157.10146	14.9
159.11702	35.2
161.13332	22.6
163.11198	8.8
163.14764	13.4
169.10126	7.9
172.58847	8.5
173.13258	16.6
175.11206	8.3
175.14833	43.4
177.16347	16.7
183.11761	13.5
183.46413	8.6
185.13290	14.2
187.14830	35.9
189.16394	47.2
191.14380	9.6
197.13260	7.9
201.16443	25.2
203.14206	14.9
203.17984	40.5
205.15915	22.9
215.17918	15.3
219.17403	10.6
221.15326	55.0
333.83258	7.7
337.27298	54.5
337.69202	8.4
359.25598	14.4
407.33020	28.7
425.34064	61.0
435.33005	11.9
453.33804	14.9
471.24774	66.3
471.34869	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05508	10.9
57.03436	8.0
57.07107	4.6
67.05508	26.8
68.78624	4.3
69.07080	33.5
69.53152	19.7
69.53575	13.8
79.05492	18.5
81.07064	53.8
83.04937	6.5
83.08629	9.1
89.78474	5.1
91.05478	20.1
91.36393	4.5
93.07054	35.9
93.17686	4.3
95.04974	5.5
95.08607	75.0
98.98473	13.6
105.07040	37.9
107.08601	69.5
109.06518	5.4
109.10162	42.5
111.08086	6.2
117.07006	10.1
119.08586	84.5
121.10163	43.3
121.85638	4.3
123.08080	5.4
123.11710	17.8
129.07005	5.8
131.08615	26.9
133.10152	62.4
135.08058	7.2
135.11702	42.2
137.00008	8.5
137.13245	14.7
143.08530	9.2
145.10129	40.4
147.11685	29.1
149.13249	20.4
155.01091	7.8
157.10156	16.2
159.11696	36.4
161.09610	6.5
161.13275	33.8
163.11244	8.9
163.14833	28.8
171.11685	14.5
172.05380	5.4
173.13275	24.3
175.14861	49.7
177.16415	23.3
179.14372	7.1
183.11752	5.6
185.13269	17.1
187.14879	33.8
189.16377	58.8
191.17958	22.6
199.14830	15.4
201.16389	63.9
203.14322	14.3
203.17975	18.7
205.15875	37.8
207.17488	23.1
211.14888	8.2
213.16400	17.2
215.14330	6.5
215.18010	12.5
217.15927	19.0
219.13889	4.5
219.17508	8.7
221.15446	8.3
223.16901	5.5
227.18040	9.5
231.17265	4.6
233.15343	6.1
233.19044	5.8
235.16907	12.4
241.19504	7.7
243.21089	8.7
247.17050	12.1
253.19606	6.9
261.18765	5.2
261.22089	4.2
262.15598	18.2
271.20624	5.4
275.19830	4.3
301.21542	5.3
389.31989	10.1
407.33231	50.1
425.34155	70.9
435.32709	24.6
453.33731	31.8
471.25171	11.7
471.34955	100.0
472.35120	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	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.05509	6.6
57.07066	2.5
65.03883	0.9
67.05511	10.7
69.07060	9.6
69.52627	4.9
73.94897	0.9
79.05490	11.2
81.03401	2.1
81.07059	16.2
83.08620	6.3
85.06580	1.0
91.05476	16.2
93.07046	29.5
95.04971	1.5
95.08607	27.7
97.06515	1.0
97.10167	2.1
99.08099	5.5
105.07031	33.3
107.04935	3.0
107.08598	45.2
109.06512	2.5
109.10165	18.5
111.08095	1.4
117.06979	5.2
118.24523	0.9
119.08585	58.7
121.06494	1.4
121.10147	37.3
123.08052	2.7
123.11701	6.3
125.09614	1.5
128.06195	0.9
129.07002	2.2
130.07751	1.0
131.08574	34.2
133.10126	35.0
135.08086	1.9
135.11696	24.5
137.09634	3.0
137.13245	2.0
142.07799	1.2
143.08542	4.3
144.09319	2.5
145.10124	41.8
147.11690	63.5
149.09598	3.1
149.13243	9.3
151.11171	1.8
155.08414	0.9
157.10124	5.8
158.10910	2.3
159.11697	29.1
161.13260	12.6
163.03859	0.9
163.07445	0.9
163.11188	11.9
163.14844	8.7
165.12813	1.4
169.10150	2.0
171.11674	6.1
172.12459	2.2
173.13266	14.0
175.11308	1.3
175.14827	24.5
177.12785	3.4
177.16391	27.3
180.04173	0.8
183.11653	1.9
185.13248	6.4
187.14827	55.3
189.16389	21.4
191.14317	1.6
191.17947	3.9
195.13853	1.1
199.14816	5.6
201.16386	100.0
202.16714	2.1
203.14363	1.7
203.17935	9.3
205.15881	93.7
206.16148	2.0
207.13689	1.0
207.17476	14.0
211.14769	2.0
213.16393	4.6
215.14314	0.9
215.17903	4.9
217.15932	1.5
217.19438	1.6
219.17422	15.9
221.15294	1.3
223.14888	1.5
223.16864	7.1
227.17966	1.4
229.15924	2.0
229.19537	2.0
231.17421	2.3
233.18973	1.6
241.19228	0.9
245.19064	2.5
247.16904	4.7
255.21036	0.9
259.20563	1.6
285.22208	1.0
319.24045	1.0
337.25287	1.2
353.28287	4.9
365.28720	0.9
389.32004	6.2
395.32938	1.3
407.33121	35.3
408.33527	1.6
425.34125	19.9
435.32532	2.7
453.33832	7.1
462.71130	1.0
471.34335	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	471.3474
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
55.05511	9.9
57.07073	5.4
67.05511	12.0
69.07060	15.4
69.44767	20.6
71.33818	2.5
75.64919	2.3
79.05463	12.6
81.07063	43.2
83.08626	12.3
85.06553	2.7
91.05472	16.9
93.07044	36.9
95.08051	3.5
95.08618	51.9
97.06557	3.3
97.10176	3.0
98.21531	4.3
99.08061	3.0
105.07043	45.2
107.08601	61.6
109.06526	5.0
109.10162	27.7
111.08074	6.0
117.07020	10.1
119.08589	82.9
121.10156	48.2
123.11692	12.7
129.07088	3.4
131.08559	30.4
133.10139	51.2
135.08078	7.3
135.11687	27.4
137.09662	3.2
137.13219	5.0
143.08556	5.5
145.10127	54.5
147.11700	32.7
149.09583	3.1
149.13284	15.9
157.10104	8.2
158.10744	2.5
159.11707	52.4
161.09622	4.5
161.13272	29.7
163.11171	9.4
163.14853	18.1
171.11661	10.5
173.09436	2.5
173.13269	23.1
174.49184	2.4
175.14841	38.3
177.12810	5.1
177.16380	28.9
179.14235	4.8
183.11632	2.6
185.13272	6.9
187.14861	42.9
189.16382	45.1
191.14323	11.9
191.17990	7.2
197.13188	3.3
199.14812	7.0
201.12796	2.4
201.16399	55.4
203.14325	7.5
203.18015	19.1
205.15903	100.0
205.17828	5.4
207.17490	11.0
213.16399	7.1
215.17921	9.1
217.15965	5.2
219.17479	27.4
221.15381	4.9
227.17979	5.3
231.17519	4.7
233.19034	4.1
241.19537	3.7
247.17046	4.9
265.17950	5.9
313.24878	2.8
379.33450	4.2
389.31979	4.2
395.33197	12.7
400.38330	2.7
407.33142	55.9
425.34265	35.8
435.32407	8.0
441.33533	3.0
453.33743	27.7
471.30200	8.0
471.34772	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	471.311
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
53.03936	1.2
55.01869	0.6
55.05532	2.2
57.07070	0.8
62.52722	0.4
67.05499	3.9
69.03415	1.4
69.07075	2.5
69.52756	3.3
79.05497	3.9
81.03446	0.6
81.07063	9.3
83.04977	1.1
83.08612	1.3
85.30918	0.5
91.05483	6.3
93.07055	8.1
95.04963	1.6
95.08616	7.6
97.06520	2.0
98.21478	0.9
99.04501	0.5
103.05531	0.5
105.07037	12.5
107.08596	11.5
109.06520	3.6
109.10158	5.9
111.08084	1.6
115.05446	0.7
117.07008	2.3
117.28082	0.4
119.08592	17.9
119.09455	1.1
119.57257	0.5
121.06502	3.5
121.10157	9.6
123.08085	2.9
123.11720	1.3
125.09645	0.9
128.06210	1.0
129.07033	1.9
130.07831	0.9
131.08594	8.1
133.06561	0.8
133.10138	9.6
135.08061	3.1
135.11679	2.8
137.09586	2.9
137.13177	0.6
142.07797	1.5
143.08554	4.5
144.09285	0.7
145.06490	2.0
145.10124	8.8
146.10649	0.4
147.04425	0.8
147.08061	5.7
147.11691	5.7
149.06050	0.5
149.09615	3.2
149.13264	1.3
151.11264	0.8
153.07088	0.9
154.07774	0.8
155.08560	1.6
156.09317	4.8
157.06453	0.5
157.10135	6.9
158.07300	1.4
158.10896	1.0
159.08075	4.0
159.09161	0.5
159.11723	8.2
160.08847	0.7
161.09619	3.5
161.13281	4.5
163.03960	1.1
163.07547	0.9
163.11218	1.7
163.14853	1.2
165.06981	0.6
167.08566	0.8
167.10698	1.1
169.06496	1.7
169.10150	3.2
170.07204	0.8
170.10960	0.9
171.08057	3.5
171.11697	7.8
172.08791	2.3
173.09639	4.9
173.13274	7.1
174.10406	1.7
175.07568	2.0
175.11208	4.3
175.14835	2.9
177.09143	0.8
177.12759	1.1
177.16411	1.1
181.10086	2.4
182.07281	0.7
182.10869	0.6
183.08072	1.3
183.11703	2.1
184.08853	12.1
184.10439	0.9
184.12526	0.5
185.09590	2.4
185.13301	3.6
186.10608	0.4
187.11188	8.1
187.14803	4.0
188.15076	0.6
189.12762	9.9
189.16418	1.8
191.10742	2.4
191.12770	0.6
191.14290	3.6
195.11708	1.7
196.08829	0.9
197.09639	8.3
197.13330	1.0
198.10374	2.0
199.11194	55.4
199.14943	1.7
200.11722	0.9
201.12764	6.6
201.16399	1.7
203.10690	1.6
203.14369	6.4
205.15895	1.6
207.11726	0.5
207.13701	0.5
209.09610	0.7
210.10429	0.5
211.11162	4.9
211.14731	0.6
213.12769	9.5
215.10736	6.6
215.14345	1.7
215.17947	0.7
217.12262	15.0
217.15739	0.9
218.12914	0.8
219.13855	3.3
219.17528	0.5
221.15416	1.7
223.11186	0.7
225.12798	2.5
225.16344	0.7
227.14380	1.4
227.17921	0.5
229.12204	0.7
229.15857	0.9
231.13817	2.0
231.17688	0.6
233.13461	0.5
237.12555	0.5
237.16388	0.6
239.16318	0.6
241.15952	0.8
243.13893	0.6
249.16440	0.6
265.15979	0.6
267.17404	1.1
269.19116	0.5
271.16870	0.6
291.12119	0.4
387.26889	0.5
393.27997	1.2
399.26654	1.2
405.27805	2.6
417.27945	3.1
423.28848	2.5
429.30093	1.6
435.28909	4.8
443.96075	0.5
453.30008	6.9
471.31082	100.0
472.31656	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	471.3107
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
55.05513	1.9
64.74483	0.6
67.05496	2.1
69.07063	1.1
70.78906	1.8
79.05485	2.4
81.07081	3.6
83.04973	1.2
91.05489	4.7
93.07041	4.3
95.04958	1.4
95.08615	8.3
105.07029	7.0
107.04958	0.8
107.08604	7.4
109.06525	1.5
109.10159	2.5
111.08070	0.8
117.07007	2.0
119.08586	9.9
121.06500	2.3
121.10133	3.7
121.22925	0.6
123.08079	1.7
123.11700	1.3
125.09647	0.7
128.06200	0.6
129.07018	1.3
131.08582	3.4
133.06493	5.4
133.10132	7.4
135.08063	47.8
135.11630	1.4
137.09637	0.7
143.08524	3.1
145.10135	5.1
147.08052	5.6
147.11697	3.1
149.09653	5.3
149.13298	0.7
156.09367	1.4
157.10092	4.3
159.08060	1.3
159.11700	3.9
160.08817	0.8
161.09627	10.8
161.13272	2.4
163.11183	1.5
163.14764	0.8
169.10162	1.4
171.08104	0.7
171.11673	3.3
173.09656	1.2
173.13249	1.9
175.11177	8.1
175.14859	1.6
177.12769	0.8
183.11789	1.3
185.13274	2.1
187.11266	1.6
187.14871	1.8
189.12732	4.4
189.16389	2.3
191.14320	1.4
197.13297	0.7
199.14822	2.6
201.12854	0.9
201.16396	1.7
203.12439	1.1
203.14330	19.2
204.14639	0.7
207.13715	0.8
211.14824	0.8
213.12846	0.7
217.15887	10.8
225.12813	0.7
243.17493	1.2
245.15260	0.9
255.17725	0.8
257.19144	0.8
337.21539	1.1
355.95264	0.6
383.22412	1.0
389.28235	1.0
407.29346	1.7
440.95383	0.7
453.29803	3.2
469.15491	0.7
471.31082	100.0
472.31424	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	471.3107
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
50.15517	0.5
55.05507	1.5
57.07063	0.7
57.83612	0.7
67.05492	1.9
68.75453	0.6
69.07057	1.3
71.80706	0.6
79.05481	2.3
81.07071	4.1
83.08636	0.6
91.05489	3.7
93.07055	3.9
95.08611	8.3
97.06540	0.7
105.07030	8.7
107.04968	0.9
107.08595	7.6
109.06524	1.1
109.10136	3.0
111.08073	1.5
115.05463	1.1
117.07017	1.8
119.08585	8.9
120.42334	0.6
121.06519	2.5
121.10134	4.5
123.08077	1.3
129.07022	1.4
131.08565	5.1
132.90205	0.6
133.01196	0.6
133.06511	4.4
133.10139	5.7
135.08058	62.9
135.11697	1.5
136.08420	0.9
137.09566	0.8
139.41988	0.6
142.07881	0.6
143.08528	3.1
145.10133	8.2
147.08051	5.3
147.11691	3.6
149.09634	4.1
151.11214	1.0
155.08586	0.8
156.09361	1.1
157.10129	3.7
159.08051	1.3
159.11694	5.1
161.09622	10.8
161.13249	2.7
163.11221	2.1
169.10135	2.0
170.10846	0.8
171.11699	2.4
173.09653	1.5
173.13251	3.6
174.10287	0.8
175.11179	6.0
175.14825	2.3
177.12778	0.9
183.11691	1.3
185.09572	1.1
185.13263	3.1
187.11157	0.8
187.14813	2.7
189.12752	3.3
189.16331	1.8
190.54623	0.6
191.14235	1.1
195.11607	0.7
197.13202	1.0
199.11198	0.7
199.14839	2.5
201.12782	1.6
201.16473	1.1
203.14320	18.3
203.16177	1.1
203.17807	0.7
205.16008	1.1
209.13152	0.8
211.14928	0.7
213.16415	1.1
215.14406	0.9
217.15874	7.7
243.17633	1.1
251.14090	0.7
251.18123	1.1
269.19067	1.0
318.04257	0.7
389.28378	2.1
407.29440	2.6
425.30380	1.2
432.61517	0.7
435.29028	1.6
453.30051	2.5
471.31076	100.0
472.31284	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	471.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
53.54602	0.2
57.03435	0.7
60.91343	0.2
65.03936	0.6
66.41019	0.2
69.03434	3.7
70.83665	0.5
71.01362	0.4
81.03414	1.5
85.02910	2.9
88.68420	0.2
88.74541	0.3
91.05489	6.4
92.35349	0.2
97.02897	10.0
98.97587	0.7
99.04452	0.6
101.02351	0.3
109.02889	0.5
116.98615	0.3
119.04951	18.6
127.03918	1.7
140.98663	0.2
145.04945	0.4
147.04416	100.0
148.04762	0.9
165.05475	3.3
177.00728	0.4
201.00836	0.3
219.01859	0.4
291.08679	2.3
309.09702	18.8
310.10583	0.3
363.21686	0.3
455.82306	0.3
471.09360	0.4
471.15054	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	471.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28142	1.6
53.03934	6.1
55.01871	4.4
55.05517	25.9
57.03441	26.4
57.07072	7.6
59.04994	1.7
61.02930	65.9
65.03951	2.9
67.05508	72.5
69.03436	33.3
69.07071	27.9
70.07376	1.8
70.78411	3.7
70.78777	2.8
71.01347	5.9
71.04985	5.5
71.08640	2.3
71.77107	1.8
73.02920	33.9
75.04440	2.8
79.05495	29.5
81.03423	21.3
81.07063	100.0
83.04974	7.1
83.08628	16.4
85.02911	60.8
85.06529	3.8
85.10181	3.2
87.04462	4.4
91.03964	40.9
91.04958	2.3
91.05489	31.5
93.06473	2.2
93.07052	35.6
95.04964	4.6
95.08613	67.9
97.02901	56.2
97.06535	6.9
97.10153	8.6
99.04480	11.5
99.08096	11.0
101.02383	13.8
103.03943	9.3
105.07040	19.6
107.04944	3.5
107.08606	23.3
109.02890	11.6
109.06525	4.1
109.10168	27.8
111.08087	4.6
111.11717	2.5
113.09644	3.6
115.03934	4.6
117.05479	2.9
117.07001	4.6
119.08586	30.7
120.23578	1.5
121.06466	2.8
121.10149	26.2
123.08080	3.6
123.11721	18.4
125.09634	5.2
125.13207	1.6
127.03931	21.5
129.05476	3.6
129.07036	3.1
131.08554	7.6
133.06549	2.1
133.10132	22.3
135.08073	3.8
135.11707	22.9
137.09618	5.2
137.13237	16.5
139.11168	2.8
143.08562	3.8
145.04929	6.7
145.10133	12.7
147.08026	1.7
147.11679	18.0
149.09615	3.7
149.13243	8.5
151.11108	2.2
151.14818	4.8
153.12772	1.8
157.10167	6.8
159.06526	2.2
159.11679	10.5
161.09624	3.9
161.13297	13.1
163.11197	2.3
163.14857	6.9
165.09125	1.8
169.10196	2.5
171.11690	6.9
173.13251	5.4
174.14255	1.9
175.14873	11.2
177.12753	2.8
177.16379	3.0
183.06509	3.8
183.11673	2.1
185.13281	3.8
187.14856	4.4
189.12660	1.9
189.16438	9.3
191.14240	2.6
191.17966	13.5
199.14857	6.5
201.16380	7.0
203.14365	2.8
203.17992	6.1
205.15981	3.4
207.17441	6.4
209.20663	1.7
215.17973	2.2
217.15915	4.3
217.19531	23.8
227.14264	3.2
229.16045	1.9
233.18901	1.6
235.16893	3.7
235.20526	15.2
257.18777	2.4
271.43176	1.6
309.24246	76.0
337.23846	3.2
343.22601	3.3
392.41162	1.7
407.33090	4.1
425.34073	3.4
435.27353	2.1
453.28345	3.1
453.34094	3.1
471.28970	16.0
471.34775	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	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.63770	3.2
53.03940	3.6
55.01874	3.1
55.05511	9.4
57.07092	3.2
67.05511	16.9
69.07072	14.7
69.43917	7.0
69.44323	17.2
75.01703	3.4
79.05116	2.8
79.05502	17.2
81.07059	39.5
83.04996	4.3
83.08629	5.7
85.02896	3.5
91.05479	20.2
91.72366	2.8
93.07048	35.0
95.04977	8.1
95.08609	53.0
97.06537	11.3
99.08109	6.5
105.07034	54.5
107.08608	58.1
109.06538	9.1
109.10175	21.7
117.07003	7.1
119.08586	100.0
121.06512	7.6
121.10164	42.2
123.08044	6.6
123.11697	8.7
125.42117	3.1
129.06958	3.6
131.08578	52.3
133.06352	4.2
133.10133	55.7
134.25696	3.0
135.08057	8.2
135.11681	21.3
137.09651	4.6
142.07785	6.9
143.08627	14.9
145.10138	66.5
147.08058	3.5
147.11702	50.8
149.09619	8.8
149.13200	16.8
153.56683	3.1
155.08611	5.3
157.10136	26.2
158.11005	4.3
159.11674	53.3
161.09673	8.5
161.13261	30.8
163.07590	3.2
163.11166	8.0
163.14899	15.9
169.10115	8.5
171.11705	19.0
173.09625	3.7
173.13266	51.3
175.11380	3.9
175.14842	43.3
177.12804	3.9
177.16412	13.0
179.10762	3.9
183.11702	6.1
184.12448	4.4
185.13298	21.9
187.14827	61.3
189.12839	5.6
189.16336	19.1
191.14330	63.5
191.18047	7.1
193.12296	4.1
193.15924	4.4
197.13295	6.7
199.14804	27.8
201.16396	92.1
203.14334	23.8
203.17969	23.7
205.15909	20.1
209.13289	3.9
211.14856	7.1
213.16441	18.0
215.17934	5.7
217.15848	6.6
217.19566	3.7
219.17430	10.2
221.15390	35.9
223.14899	7.7
225.16499	5.3
227.18002	4.8
229.15868	6.8
231.17491	4.1
233.15637	3.6
239.17996	3.6
241.19617	4.2
243.17461	4.1
247.16922	15.1
253.19397	4.9
387.30496	9.3
405.31561	32.5
423.32544	34.4
433.31131	8.3
439.31955	6.6
451.32248	14.5
469.33264	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.16076	4.5
53.03945	5.5
55.05496	14.7
66.71876	4.3
67.05495	17.8
69.03416	7.7
69.07054	15.8
71.38443	7.7
79.05475	20.9
79.64633	4.3
81.03411	6.6
81.07059	46.8
83.04986	22.0
83.08613	12.4
85.02913	7.3
87.00817	4.4
91.05480	35.9
93.07060	42.8
95.04967	6.6
95.08617	62.2
96.61241	3.5
99.08100	6.3
104.59912	4.0
105.07043	55.2
107.08596	68.0
109.02878	5.0
109.06499	10.8
109.10162	30.7
117.07016	14.1
119.08595	100.0
121.10152	56.3
123.08039	7.9
123.11686	19.1
127.03903	7.4
129.06969	7.5
131.08585	44.3
133.10146	68.2
134.13368	3.7
135.11685	22.6
137.09657	5.0
142.07809	6.6
143.08559	18.5
144.09267	3.7
145.10136	57.8
147.08069	5.0
147.11717	35.4
149.13249	18.3
151.11140	5.8
155.08551	5.8
157.10117	20.2
159.11710	55.5
161.09621	5.4
161.13307	28.7
163.07623	4.1
163.11218	9.2
163.14833	10.0
169.10141	10.2
171.11707	23.8
172.12463	5.1
173.13293	37.0
175.14824	34.9
177.16367	19.2
183.11667	10.9
185.13280	42.4
187.14842	67.1
189.16382	27.5
191.14378	15.1
191.18042	6.1
195.11696	5.9
197.13313	5.8
199.14890	35.6
201.16389	52.9
203.14278	24.1
203.17963	14.9
205.15898	44.3
213.16357	25.1
215.17996	13.0
217.15872	14.1
219.17398	21.7
221.15355	7.1
225.16367	5.3
229.15874	6.2
233.15430	5.7
243.17397	5.7
245.15437	8.2
247.17043	8.8
249.14877	15.3
253.19675	6.8
263.16382	5.9
318.91977	3.8
334.76526	4.2
405.31537	35.3
407.33063	7.6
423.32785	37.2
433.31046	8.1
451.32108	29.4
469.33401	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02365	2.9
53.03955	3.0
55.05511	15.4
57.07067	3.6
62.85239	2.3
64.10600	2.6
67.05508	14.8
69.03419	3.1
69.07061	17.0
69.55161	14.3
79.05492	17.2
81.07059	41.7
83.04980	13.8
83.08633	12.8
91.05488	28.2
91.47115	2.5
93.07050	40.1
95.04965	6.5
95.08614	54.1
96.34124	2.7
97.06517	7.6
99.08078	5.7
99.48648	2.6
105.07042	52.1
107.08607	66.7
107.73045	2.9
109.06512	4.9
109.10162	31.4
111.08069	5.7
117.07020	8.2
119.08586	100.0
121.06544	4.1
121.10158	56.7
123.08075	6.0
123.11695	17.0
125.09619	6.8
127.03905	3.4
129.07008	7.7
131.08578	36.7
133.10149	55.0
135.08026	3.9
135.11708	20.3
135.45102	2.5
137.09575	5.4
137.13249	4.3
137.24445	2.9
142.07828	4.5
143.08591	21.8
144.09264	3.1
145.10138	67.3
147.04353	5.2
147.11702	29.1
149.09624	4.6
149.13263	13.1
151.11163	5.3
156.09351	7.3
157.10156	24.0
158.11000	3.7
159.11700	46.7
161.09625	4.8
161.13255	22.6
163.03830	3.1
163.09949	2.9
163.11191	8.3
163.14876	13.3
169.10176	7.3
170.10873	5.4
171.11766	19.1
172.12549	3.4
173.13278	40.4
175.11192	4.6
175.14819	30.2
177.12770	4.7
177.16425	15.5
181.10138	3.7
182.10883	3.9
183.11707	10.4
185.13269	37.7
187.14833	60.5
189.12704	5.3
189.16417	25.9
191.14328	13.7
191.17909	3.3
197.13248	7.4
199.11147	5.4
199.14856	29.2
201.16396	45.9
203.14384	14.3
203.17981	8.9
205.15909	44.2
211.14857	10.0
213.16389	19.1
215.14159	4.5
215.17892	5.8
217.15877	11.7
219.17441	19.2
223.16943	5.7
225.16457	5.0
227.17967	5.7
229.15881	4.2
231.17427	3.7
233.15385	4.1
237.16386	4.3
241.19398	8.0
243.17465	6.0
245.15300	3.9
247.17012	5.6
249.14783	6.6
251.07820	2.8
256.55084	3.0
263.16132	2.8
267.21057	5.0
285.18799	3.3
405.31485	32.0
407.33093	7.2
423.32642	26.6
433.30780	10.0
439.32166	3.8
451.32129	22.9
469.33621	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	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.46099	2.5
53.03958	3.2
55.05510	12.2
67.05511	20.7
68.26108	2.5
69.03422	4.5
69.07073	25.0
70.84232	7.5
77.77988	3.0
79.05506	19.1
81.07068	52.8
83.04984	7.2
83.08639	9.6
91.05472	23.6
93.07044	43.2
95.08605	50.9
97.06530	22.5
97.10192	4.0
103.15891	3.1
105.07036	54.5
107.08593	63.9
109.06512	6.0
109.10152	31.1
111.08089	7.0
117.07056	9.5
119.08585	83.9
121.10143	43.8
123.08110	5.1
123.11726	10.5
125.09672	9.6
129.07013	10.3
131.08574	32.1
133.10124	37.5
135.11703	29.1
137.13245	4.8
143.08583	20.8
145.10120	60.5
147.11684	38.6
149.13281	19.9
155.08611	6.0
156.09372	5.2
157.10175	22.6
159.11667	33.1
161.09647	3.7
161.13272	20.7
163.03972	5.0
163.11281	4.6
163.14842	19.0
165.12796	5.8
169.10202	13.7
170.10999	4.2
171.11702	25.6
173.13298	33.6
175.14821	54.0
177.12827	4.3
177.16364	13.9
182.10965	3.5
183.11739	13.3
185.13293	20.7
187.14839	39.4
189.16400	20.5
191.14369	6.6
193.15958	6.6
195.11731	5.4
197.13293	11.4
197.46066	3.1
199.14793	30.5
201.16388	40.2
203.14455	5.4
203.18042	10.1
205.15981	11.0
207.17451	3.4
209.13298	8.2
211.14856	10.0
213.16393	26.6
215.18030	10.2
217.12206	3.4
217.16025	6.9
219.17461	7.2
221.15425	8.5
223.14963	6.4
225.16403	16.1
227.17926	17.0
229.15990	4.0
229.19499	3.4
231.17487	7.5
233.15482	3.9
237.16429	7.9
239.17888	15.8
241.19540	28.9
243.21184	3.9
245.15514	9.6
247.16969	5.7
251.17929	3.4
253.19679	12.4
255.21164	5.4
259.17072	7.0
259.20660	5.9
263.18057	3.7
265.19427	4.5
267.21100	8.9
271.17218	3.7
273.18555	4.2
279.21057	4.5
281.22467	5.0
285.18604	9.6
291.20956	4.4
293.22470	2.9
299.20264	5.3
321.25818	6.2
365.24747	3.3
387.30579	14.0
389.32013	4.8
393.27811	5.0
405.31570	63.1
407.33133	31.9
421.30978	12.2
423.32648	15.8
433.31113	20.0
451.32135	52.8
469.33240	100.0
472.14267	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	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.05094	2.0
53.03933	4.5
55.01875	2.8
55.05509	16.8
57.07057	6.4
65.03934	4.2
67.05503	21.2
69.03423	4.4
69.07068	18.2
69.41515	12.4
69.41934	4.3
77.03938	2.3
79.05487	26.4
81.03442	2.7
81.07063	53.0
83.04984	58.1
83.08621	13.9
85.02912	2.8
91.05482	24.8
93.07044	47.5
95.04975	18.7
95.08612	59.0
97.06511	3.9
97.10167	2.3
99.08065	2.5
105.07036	77.2
107.08599	67.9
109.06521	11.7
109.10160	33.7
111.08070	6.7
111.79273	1.8
116.73190	1.9
117.03372	4.2
117.07013	14.3
117.49276	1.7
119.08590	100.0
121.06487	3.3
121.10146	45.4
123.04398	3.4
123.08077	13.0
123.11710	14.8
125.09640	5.5
128.06210	3.5
129.06989	7.3
130.07761	3.1
131.07590	2.2
131.08571	43.6
133.10139	63.8
135.04430	6.0
135.08038	6.1
135.11693	22.0
137.09619	7.1
137.13274	4.3
141.07016	3.1
142.07750	5.5
143.08568	20.5
144.09389	2.4
145.02818	2.6
145.09047	3.3
145.10133	58.0
147.08090	3.7
147.10512	2.8
147.11693	49.0
149.09625	6.4
149.13246	27.4
151.11221	4.0
153.09097	5.5
155.08525	5.1
156.09326	6.7
157.10147	29.2
158.10896	3.8
159.08044	3.0
159.10439	3.5
159.11705	51.8
161.09653	4.5
161.13266	51.3
163.03923	16.0
163.11220	4.7
163.14807	15.7
165.12779	3.0
167.08620	2.0
167.10583	2.0
169.10155	10.0
170.10860	3.2
171.11700	15.7
172.12411	2.9
173.09581	2.2
173.13283	40.0
175.07501	2.0
175.11217	4.0
175.14845	30.1
177.09082	2.7
177.12735	6.1
177.16391	14.0
182.10939	1.9
183.11691	11.9
185.11804	3.2
185.13287	35.7
187.11156	3.3
187.14825	38.8
189.12755	4.0
189.16409	20.4
191.14337	10.7
191.17937	5.8
193.15875	3.6
195.11714	2.8
197.13306	7.9
199.14828	21.8
201.12677	5.6
201.16388	68.8
203.14340	27.8
203.17976	27.7
205.15898	38.7
209.13275	4.6
211.14850	8.0
213.16377	15.6
215.14308	5.8
215.17957	8.2
217.15939	14.1
219.17496	13.4
221.15324	6.2
223.14861	3.0
225.16432	3.3
227.14368	2.1
227.17961	6.0
229.15903	6.3
229.19421	3.3
231.17441	6.2
233.15361	5.7
233.18997	3.5
237.16383	2.6
239.17979	3.5
241.19543	4.3
243.17380	4.4
245.15395	7.4
245.18906	2.2
247.16934	13.8
249.14745	9.3
253.19545	4.4
257.18918	2.3
259.17010	3.7
261.14761	3.6
267.20972	2.2
269.19061	2.6
279.21103	2.7
287.20151	2.0
347.27536	3.2
355.26541	2.0
365.28281	3.8
387.30151	6.0
389.31680	2.5
393.27856	5.3
405.31555	24.4
407.33102	5.5
410.79565	2.4
411.28876	8.0
421.31305	2.2
423.32660	35.4
433.30927	8.5
441.33640	3.6
451.32373	27.6
469.33478	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03963	3.1
54.12169	2.5
55.05522	18.4
57.07068	3.1
62.57271	2.4
67.05505	18.1
69.07076	14.8
69.53465	9.7
69.53888	9.0
78.56463	2.4
79.05502	16.3
81.07067	42.0
83.04993	64.4
83.08618	8.6
91.05483	27.6
93.07052	49.6
95.04967	11.9
95.08047	4.1
95.08617	55.3
97.06533	3.0
97.10063	3.0
99.08086	17.1
105.06373	4.8
105.07045	67.9
107.08608	69.1
109.06537	6.1
109.10162	29.4
111.08110	2.5
111.43314	3.1
117.07024	9.9
119.08593	100.0
121.06487	3.0
121.10153	40.8
123.08102	7.7
123.11715	12.9
125.09676	2.9
129.07010	7.6
131.08591	50.1
133.10138	55.5
135.11702	19.2
136.82927	2.5
138.23163	2.5
138.73558	2.3
142.07797	5.7
143.08551	21.2
144.09361	5.7
145.09023	4.6
145.10138	68.4
147.11707	78.3
149.09630	4.1
149.13275	24.3
151.11046	2.8
155.08623	2.8
157.10133	25.3
158.10916	3.3
159.08147	2.7
159.11699	52.1
161.09604	5.0
161.13286	33.2
163.11220	4.9
163.14882	8.6
169.10179	7.6
171.11726	15.3
172.12509	2.6
173.13271	33.2
175.11285	3.3
175.14839	19.9
177.12849	3.2
177.16414	15.7
183.11720	7.4
185.13287	26.0
187.14835	52.9
189.16406	10.6
191.17999	5.0
195.11781	4.4
197.13280	9.8
199.14835	36.9
201.16426	75.1
203.14337	29.5
203.17993	5.3
205.15916	36.4
207.17456	2.8
211.14853	6.5
213.16461	16.6
215.14325	8.1
215.17946	8.3
217.15933	12.7
219.17484	17.7
225.16425	5.7
229.15906	6.6
231.17464	4.8
233.15375	4.8
237.16318	2.6
239.17937	5.4
245.15410	8.6
247.16966	7.7
249.14883	7.1
253.19443	4.0
259.17072	3.3
267.20880	4.1
293.22702	4.5
309.25824	3.2
333.25677	3.3
341.28522	3.4
347.27463	7.1
355.26163	2.8
365.28299	9.9
387.30423	5.2
393.27933	11.1
405.31519	31.1
411.29141	18.9
423.32617	24.6
433.31195	8.0
451.32089	26.3
469.33212	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03934	4.3
55.05512	26.9
56.79025	3.1
67.05507	24.2
68.74496	2.9
69.07088	17.1
69.44061	21.6
69.44466	7.8
79.05521	19.0
81.07062	54.4
83.04988	94.6
83.08617	17.9
91.05486	28.7
93.07066	48.0
95.04967	26.7
95.08049	5.1
95.08616	69.5
105.07039	88.3
107.08602	70.1
109.06510	10.5
109.10174	41.9
111.08078	5.4
117.07011	11.3
119.07797	6.8
119.08594	100.0
121.10153	40.6
123.08089	13.9
123.11713	17.9
129.07092	5.7
131.08574	51.6
133.10135	70.9
135.11729	26.3
142.07825	3.6
143.08562	20.3
144.09361	7.1
145.10136	71.4
147.07997	5.2
147.11687	50.2
149.13278	30.7
151.11162	7.8
153.09058	4.9
157.10152	24.0
159.11708	49.2
161.09599	5.3
161.13275	60.3
163.07542	5.1
163.14807	14.2
169.10115	5.3
171.11685	14.2
173.13277	37.9
175.14848	39.8
177.12811	6.1
177.16414	17.7
183.11685	7.6
185.13260	54.5
187.14838	41.7
189.12668	4.1
189.16353	26.0
191.14264	13.7
191.17946	5.9
197.13231	9.9
199.14848	30.6
201.12994	3.3
201.16408	94.2
202.85739	3.9
203.14340	44.2
203.16023	5.8
203.17998	31.7
205.15878	28.6
211.14804	7.5
213.16400	22.9
215.14346	9.8
215.17877	9.4
217.15858	17.9
219.17484	23.0
221.15359	8.5
225.16710	3.8
227.17924	5.0
229.15836	7.0
231.13768	5.4
231.17438	9.5
233.18977	4.1
239.17892	7.3
241.19562	8.0
245.15355	11.9
247.16957	15.1
249.14888	19.2
253.19675	4.4
259.17010	4.9
261.14798	9.0
263.16370	8.8
267.21249	4.8
387.30371	5.7
393.27750	6.9
405.31583	30.5
407.32782	4.2
411.28812	8.5
423.32690	33.2
433.30878	8.3
451.32236	32.8
469.33154	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.84938	2.6
53.03944	3.6
54.12344	3.1
55.05516	22.3
57.07075	5.8
65.03951	3.8
67.05515	23.4
69.07077	14.1
69.56084	9.9
69.56502	11.1
79.05505	20.9
81.07064	51.7
83.04988	100.0
83.08629	9.9
91.05482	24.7
93.07052	42.1
95.04982	22.6
95.08612	60.9
105.07039	70.8
107.08603	67.5
109.06524	6.3
109.10153	26.0
111.08102	3.9
117.07037	11.8
119.08599	91.5
121.06448	3.3
121.10140	34.1
123.08086	11.2
123.11726	17.8
125.09660	4.4
129.07040	7.0
131.08598	39.6
131.09526	4.9
133.10144	51.8
135.08119	4.0
135.11716	21.6
137.09657	2.9
142.07762	5.1
142.59369	2.7
143.08597	18.1
145.10141	45.2
147.08119	4.2
147.11711	42.4
147.12822	4.9
149.13295	22.0
151.07666	3.2
153.09151	4.3
156.09373	5.2
157.10126	23.6
158.10921	3.2
159.11700	44.0
161.13268	59.5
163.14854	9.3
169.10110	6.1
171.11717	11.1
172.12505	3.3
173.13275	34.3
175.14807	28.2
175.54431	3.0
177.16460	8.7
178.67841	3.2
183.11710	6.6
185.13246	39.5
187.14819	34.8
189.16376	20.1
191.14336	9.0
191.18037	4.6
193.15924	3.7
195.11827	3.0
197.13339	7.6
199.14873	27.3
201.12880	2.5
201.16403	54.7
203.14380	27.1
203.17961	9.3
205.15926	15.9
211.14868	5.8
213.16290	15.7
215.14391	4.0
215.17990	5.5
217.15869	14.9
219.17459	11.7
221.15414	4.6
225.16455	5.5
227.18080	5.5
229.15800	4.4
231.13872	4.3
231.17494	5.9
233.15398	4.6
239.18039	4.8
241.19630	4.8
245.15424	12.4
247.16954	9.6
249.14784	22.2
253.19568	4.3
259.16980	5.6
261.14999	4.3
263.16235	3.5
327.23157	3.6
347.27219	3.0
369.27811	4.1
383.54892	3.2
387.30228	5.9
393.27899	5.6
405.31604	28.7
407.33221	4.3
411.29059	8.4
423.32605	24.7
433.31006	8.6
451.31949	18.5
469.33191	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03941	2.9
53.68439	2.1
55.05508	20.8
55.25753	2.0
57.07087	2.3
57.33340	2.2
65.02196	2.4
67.05509	21.1
69.07063	9.9
70.01785	1.9
72.82401	2.0
79.05483	16.4
81.07056	41.7
83.04986	100.0
83.08625	10.4
91.05482	24.1
91.11848	2.3
93.07042	46.0
95.04975	17.4
95.08611	48.9
97.06571	3.3
99.08095	7.1
103.05484	2.7
105.07039	61.7
107.08603	58.1
109.06532	8.8
109.10160	22.2
111.08084	2.6
115.05486	2.3
117.07014	6.2
119.08586	82.3
121.10149	33.4
123.07302	2.0
123.08031	10.2
123.11720	12.9
125.09672	2.6
128.06200	3.2
129.07027	5.5
130.07794	2.5
131.08586	36.2
133.10135	45.2
135.11708	18.8
137.09595	3.4
141.07005	2.7
143.08563	18.4
144.09338	3.5
145.10139	55.2
147.08105	2.0
147.11702	49.8
149.09625	3.4
149.13254	16.3
151.11169	3.0
155.08585	5.5
157.10129	17.6
158.10905	5.3
159.11707	57.3
161.09671	2.8
161.13295	29.3
163.07582	3.2
163.14828	6.0
167.08490	2.4
169.10168	5.9
171.11702	15.6
173.13264	30.6
175.14839	21.5
177.16399	7.3
183.11716	8.1
184.12434	3.3
185.13261	25.6
187.14828	37.7
189.16429	12.8
191.14146	2.4
191.17879	2.8
193.15932	4.1
195.11720	3.3
197.13307	7.5
199.14838	29.7
201.12663	4.6
201.16388	48.6
203.14340	28.0
203.17923	2.8
205.15913	12.2
211.14850	7.7
213.16440	15.8
215.14374	4.9
215.17998	6.3
217.15863	13.6
219.13945	2.9
219.17438	10.4
221.15411	2.9
223.79189	2.2
225.16383	5.0
227.18007	5.9
229.15891	3.1
231.17520	7.2
233.15393	5.7
237.16167	2.4
239.17964	4.4
241.19501	3.8
245.15331	11.0
247.16939	6.3
249.14714	17.3
251.18085	2.8
253.19632	5.0
259.16907	9.0
265.19492	2.9
267.21024	3.2
295.17346	2.7
314.76578	2.6
323.27325	3.4
341.28406	6.7
347.27289	5.3
365.28406	5.5
373.27087	2.4
387.30515	3.6
393.27719	14.1
405.31549	30.7
411.28961	6.7
415.40811	2.3
423.32446	15.1
433.30936	8.8
451.32062	22.1
469.33295	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	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.05509	18.5
57.07072	5.2
59.05016	1.9
65.03944	1.8
67.05510	15.6
69.03434	3.0
69.07075	22.1
71.04995	2.2
71.20523	4.9
79.05495	18.0
81.07062	35.3
83.04977	4.8
83.08608	13.1
85.06553	4.3
91.05478	21.1
93.07050	42.3
95.04980	2.5
95.08614	61.2
97.10157	2.5
99.08147	2.4
105.07044	52.4
107.05000	3.7
107.08607	75.6
109.06550	5.4
109.10163	44.9
111.08092	6.3
111.11626	2.0
117.07034	12.6
119.08594	100.0
121.06503	4.6
121.10152	70.1
123.08096	5.3
123.11747	13.1
125.09644	5.3
129.07024	5.9
130.07813	4.1
131.08580	33.2
133.10150	50.8
135.08076	6.3
135.11702	35.4
137.09657	6.6
137.13266	6.3
142.07814	7.8
143.08600	17.1
144.09340	5.5
145.10139	87.9
147.11717	32.2
149.09592	5.9
149.13274	26.1
151.11209	3.2
155.08546	5.0
156.09357	6.6
157.10136	42.1
158.10915	7.0
159.11719	64.0
161.09583	2.3
161.13284	27.7
163.07544	7.1
163.11195	17.7
163.14850	16.6
165.12769	4.3
169.10133	8.0
170.10918	6.1
171.11713	26.0
172.12457	5.5
173.13286	43.8
175.11198	2.3
175.14821	26.3
177.12744	5.2
177.16397	24.2
181.10181	2.4
183.11649	10.4
184.12494	2.7
185.13261	24.0
187.14841	75.7
189.16431	22.1
191.14317	4.3
191.17998	9.2
195.11769	2.6
197.13271	9.1
199.14838	71.0
201.12756	3.6
201.16412	66.2
203.14360	5.1
203.17914	9.5
205.15895	85.3
205.19725	2.9
207.17412	4.5
209.13254	4.1
211.14902	5.3
213.16385	10.6
215.14357	5.7
215.18008	10.6
217.12318	3.3
217.15936	2.8
219.13889	2.7
219.17477	22.3
223.05086	1.9
223.14961	3.5
223.16957	23.1
225.16368	4.3
227.14339	2.5
227.17981	7.0
229.15884	3.0
229.19588	2.0
231.17522	4.2
233.15474	12.2
233.19022	6.9
237.18613	3.1
239.17902	2.5
245.15385	11.9
251.18132	2.6
253.19409	3.6
255.21254	2.3
259.17032	3.5
279.21201	2.3
307.24338	2.1
349.49741	2.4
377.32169	2.8
387.30386	6.2
389.32419	2.7
405.31674	33.9
407.33224	10.2
423.32541	7.9
425.17770	5.8
433.30841	10.4
451.32214	33.4
469.17078	16.4
469.33478	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	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03952	3.3
55.05513	15.8
57.02430	1.7
57.03443	8.8
57.07072	4.0
57.93944	1.9
65.03941	3.2
67.05507	44.4
69.07071	14.7
70.74322	2.4
70.74652	3.2
71.04995	2.6
79.05493	27.2
81.06580	2.9
81.07060	49.4
83.04978	3.8
83.08606	11.1
85.06516	2.1
91.05475	17.0
92.10685	2.0
93.07053	30.5
95.04978	13.3
95.08608	40.1
96.08955	1.7
97.06531	2.4
97.10185	2.5
99.08054	1.9
100.90550	1.7
105.07036	25.1
107.08587	26.9
109.06528	3.8
109.10168	26.7
111.08085	4.0
117.07013	7.2
119.08589	41.3
121.06503	2.0
121.10155	23.1
122.75792	1.8
123.08118	2.9
123.11718	8.5
125.09619	2.2
129.06984	4.3
131.08563	14.7
133.10130	22.4
134.98193	100.0
135.08075	3.4
135.11720	13.7
137.09639	2.9
139.11244	2.0
141.06932	2.3
143.08578	8.3
145.10133	19.0
147.11671	16.9
149.09589	6.5
149.13260	6.6
151.11182	2.8
155.08572	3.4
157.10164	9.7
159.11746	14.6
161.09633	3.0
161.13263	9.1
163.11198	2.8
163.14835	6.4
165.12737	2.8
169.10112	4.6
171.11737	6.1
173.13232	10.3
175.11156	4.8
175.14816	16.6
176.00858	3.3
177.12755	3.3
177.16393	4.3
183.11635	2.7
185.13307	8.7
187.14830	15.8
189.16440	13.3
191.14323	2.7
193.12303	6.8
194.45915	1.7
195.13698	2.1
197.13272	5.3
199.14815	11.4
201.16374	20.1
203.14265	2.1
203.17969	6.2
205.15881	15.0
207.17509	3.1
209.01639	2.3
209.13304	2.1
213.16403	8.5
215.14441	2.8
215.17941	6.1
217.15895	3.8
219.17531	2.4
221.15396	2.3
223.15024	2.7
223.16933	12.2
225.16441	2.4
227.15251	1.5
227.17976	6.8
229.19656	2.7
231.17485	3.7
235.16975	4.0
239.14618	2.0
239.18028	3.4
241.19513	3.8
245.15363	3.3
247.17065	9.1
253.19576	5.7
255.21051	3.4
259.16876	2.5
273.18387	2.4
285.18646	2.2
299.20047	3.7
301.21884	2.5
301.25171	2.0
335.25839	38.3
357.23999	16.2
387.30597	3.4
405.31653	14.4
407.33167	3.7
423.32605	16.3
425.34247	4.3
428.25131	2.3
433.30798	6.1
451.31396	9.0
469.23318	44.6
469.32587	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	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03953	7.0
53.51299	4.0
55.05518	25.0
57.03450	5.5
57.07066	5.4
61.38323	4.6
65.03957	8.1
66.44099	4.5
67.05512	51.1
69.03424	13.6
69.07066	20.5
69.36102	39.1
69.36511	11.7
74.64143	4.5
79.05499	48.5
81.07066	98.1
83.08639	10.5
85.02895	5.8
91.05482	37.9
93.07054	66.4
95.04998	7.2
95.08616	100.0
97.06526	11.7
97.10164	6.0
98.20709	8.4
105.07037	66.0
107.08604	76.2
109.06525	17.9
109.10170	49.5
111.08093	11.4
117.07043	17.3
119.08591	80.7
121.06496	4.6
121.10155	64.0
123.08119	5.7
123.11713	20.3
125.09632	12.6
127.07571	13.1
129.06989	6.4
131.08575	48.3
133.10146	54.8
134.98190	56.5
135.11700	38.2
142.07806	5.8
143.08614	27.0
145.10146	69.6
147.11682	33.7
149.13248	15.3
155.08501	9.4
157.10158	22.7
159.11702	45.4
161.09578	5.1
161.13245	34.4
163.03914	25.3
163.14827	11.8
169.10156	15.4
171.11665	26.0
173.13310	41.6
175.11148	5.9
175.14813	23.2
177.16370	9.0
179.14354	7.5
181.10127	5.7
183.11737	16.3
185.13266	40.6
187.14862	60.0
189.16388	21.1
191.14400	5.3
193.15887	5.4
195.11737	7.2
197.13261	13.4
199.14854	39.9
201.16389	40.3
205.15787	7.9
209.13272	8.2
211.14830	14.9
213.16426	28.3
215.14395	6.5
215.17896	8.9
219.17418	11.7
225.16422	6.9
233.15367	11.7
239.17993	6.2
241.19505	7.9
245.15384	9.7
256.96515	5.1
259.16876	9.9
281.22623	5.8
327.23209	10.2
335.25900	29.0
357.23837	10.8
379.76660	5.2
387.30444	6.6
405.31610	52.6
415.29642	7.2
423.32541	13.1
433.31097	37.3
451.32214	27.3
469.23087	30.8
469.33093	84.0
474.79453	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	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02374	2.3
53.03949	13.3
55.01875	8.6
55.05517	32.2
57.03441	26.4
57.07079	5.0
59.05006	3.1
61.02930	94.2
65.03945	6.3
67.05511	83.8
69.03432	41.3
69.07082	16.4
69.42860	15.7
69.43269	4.2
71.01355	5.2
71.04997	12.0
73.02924	35.2
78.34674	2.0
79.05500	84.8
79.05962	4.3
81.03423	26.7
81.07061	96.9
83.04968	7.6
83.08627	17.9
85.02909	82.2
85.03426	3.3
85.06535	2.6
87.04479	4.7
91.03953	43.1
91.05483	51.8
93.07050	100.0
95.04991	13.7
95.08612	83.8
97.02897	67.4
97.06537	11.3
97.10181	6.5
99.04471	11.7
99.08115	7.7
101.02397	13.8
103.03947	9.9
103.05456	3.0
105.07036	61.0
107.08604	68.5
109.02899	7.6
109.06540	6.3
109.10162	44.6
111.04459	5.2
111.08074	5.5
115.03941	4.5
115.05429	2.6
117.07018	15.4
119.08582	72.0
119.09437	3.8
121.09307	4.7
121.10154	74.5
123.08088	8.5
123.11716	20.2
125.09631	6.9
127.03914	23.5
129.05510	5.9
129.07057	7.9
131.08578	37.6
133.10143	56.8
135.08060	6.2
135.11708	37.7
137.09625	8.3
137.13246	5.8
142.07825	2.7
143.08566	16.9
145.04950	8.4
145.10132	49.4
147.08095	5.4
147.11693	40.4
149.09627	6.0
149.13297	22.0
151.11221	7.6
155.08560	5.6
156.09320	3.2
157.10139	17.9
159.11699	34.3
161.09637	4.1
161.13263	19.9
163.11191	9.2
163.14833	8.1
164.89345	2.7
165.12766	3.4
167.10712	4.6
169.10146	9.6
170.10997	2.7
171.11685	17.9
173.13266	27.6
175.11270	4.8
175.14861	34.9
177.12749	6.7
177.16425	6.4
183.06552	5.3
183.11769	8.3
185.13263	32.3
187.11185	2.7
187.14822	30.2
189.16388	15.8
191.14368	6.3
191.18001	4.5
193.15900	3.9
195.11732	4.4
195.13884	4.1
197.13298	9.5
199.14857	18.4
201.07655	4.2
201.12859	3.5
201.16434	16.4
203.14336	5.6
203.17975	5.7
205.15906	8.5
211.14830	6.4
213.16376	12.2
215.14456	5.8
215.17938	24.9
217.15855	7.4
221.15398	7.9
223.14864	3.7
223.16856	2.8
225.16411	4.5
227.18030	7.8
229.19633	3.0
231.13750	7.5
231.17566	6.4
233.15443	3.3
233.19005	11.4
239.18010	6.7
241.19542	8.1
243.17430	3.0
245.19121	3.4
247.16948	4.2
249.14864	3.1
251.17934	3.2
253.19604	5.5
255.17474	2.3
257.19080	3.0
259.16891	6.0
265.19611	2.9
269.19138	3.1
273.18552	4.0
285.18509	4.7
291.20935	2.9
299.20163	3.2
307.22690	78.6
309.22144	3.1
387.30450	4.6
405.31567	19.3
421.31018	5.3
423.32715	19.5
433.25839	3.8
433.31009	12.8
451.26672	5.2
451.32202	30.4
469.27734	13.0
469.33417	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
54.30791	3.4
55.05508	12.5
58.59309	3.1
59.44323	3.6
66.54127	3.1
67.05517	16.4
69.03418	4.2
69.07066	14.5
70.21764	11.3
74.49410	3.2
79.05483	19.5
80.21553	2.9
81.07060	38.8
83.08617	6.2
91.05481	19.4
93.07044	46.5
95.04967	6.9
95.08605	55.3
97.06515	19.8
105.07037	60.1
107.08595	72.7
109.06539	10.4
109.10163	39.3
111.08081	6.3
115.97329	3.3
117.06984	8.5
119.08589	100.0
121.06507	8.3
121.10146	47.6
121.82945	3.4
123.08097	9.4
123.11698	10.6
125.09628	5.9
129.07001	6.8
130.07738	4.4
131.08569	33.5
133.10141	59.6
135.08089	8.3
135.11713	32.0
136.33710	3.6
136.56985	3.3
137.09615	8.1
143.08572	22.5
144.09366	6.6
145.10121	66.0
147.11691	35.3
149.09628	5.7
149.13271	17.6
153.09105	7.0
155.08609	6.6
156.09325	8.2
157.10126	24.3
158.10992	4.3
159.11719	44.2
161.09650	7.7
161.13275	19.3
163.11162	11.5
163.14845	14.2
169.10161	11.6
170.10959	4.1
171.11670	21.9
173.13274	42.2
175.11264	7.1
175.14842	46.1
177.12741	7.4
177.16393	13.9
183.11745	10.3
185.13246	17.0
187.14818	46.8
189.12784	7.1
189.16382	19.2
191.14323	22.1
191.17963	4.9
195.11620	7.4
197.13304	12.9
198.73601	3.3
199.14822	22.4
201.12720	6.8
201.16408	34.3
203.14352	10.4
203.17961	17.9
205.15901	5.5
205.19525	4.0
209.13217	5.0
211.14815	8.1
213.16371	19.0
215.14392	5.8
215.17966	9.4
217.15947	11.4
221.15334	8.5
225.16376	6.5
227.17976	10.5
229.15804	6.0
229.19583	6.8
231.17494	5.4
235.17036	7.3
237.16484	5.8
239.18094	7.0
241.19545	13.4
243.21159	4.5
247.16966	16.4
249.18683	5.3
253.19589	6.9
279.21072	5.5
293.22552	4.1
309.22269	7.6
327.23224	6.3
342.72076	3.7
387.30414	9.7
388.95386	3.7
393.31876	6.9
405.31500	43.7
423.32629	39.9
433.31140	15.2
439.32285	4.9
451.32092	47.2
469.33121	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03942	4.8
55.05508	15.0
56.42133	4.9
67.05497	20.2
69.07068	17.4
69.98084	12.7
69.98500	11.6
79.05504	15.4
79.72459	4.6
81.07059	32.7
83.08613	14.4
91.05492	23.0
93.07044	41.8
95.04987	7.2
95.08612	61.4
105.07040	49.8
107.08601	70.7
109.06509	6.3
109.10168	32.1
117.07012	13.2
119.08579	93.7
121.10142	67.1
123.11714	10.8
128.06238	6.5
129.06987	4.9
131.08589	43.3
133.10144	47.3
135.11696	35.0
143.08553	18.3
144.09378	5.6
145.10133	100.0
147.11665	33.5
149.09624	6.6
149.13322	25.4
151.11192	6.1
156.09340	12.8
157.10162	40.4
159.11702	64.7
161.13277	19.3
163.07564	6.2
163.11191	25.5
163.14862	11.7
169.10141	7.9
170.10994	9.9
171.11708	24.1
173.13295	41.8
175.14832	38.1
177.12756	6.9
177.16388	27.9
181.88141	4.4
183.11688	13.9
185.13226	33.5
187.14822	70.0
189.16435	33.1
191.14326	15.2
191.17982	6.0
197.13309	6.7
199.14857	59.9
201.16374	81.9
203.17958	7.3
204.87688	5.3
205.15901	93.0
213.16412	18.8
215.14368	8.1
215.18044	11.5
217.15987	6.1
219.17479	15.3
223.16951	17.5
227.17979	8.7
233.15491	14.8
245.15425	16.2
247.16869	6.7
253.19447	7.6
345.01910	4.8
405.31509	35.3
407.33008	6.4
423.32440	21.4
425.34048	6.2
433.30954	7.8
451.31989	26.8
469.33099	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	469.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01862	1.4
55.05501	5.0
57.03431	1.9
57.07069	1.4
59.04989	2.0
59.86144	1.3
65.03936	1.3
67.05511	8.5
69.03410	4.8
69.07076	7.9
69.38890	10.5
70.06580	2.1
79.05501	11.3
80.58896	1.2
81.03403	3.1
81.07063	17.7
83.04964	4.3
83.08609	3.8
85.02859	2.9
85.06541	1.6
87.00858	1.3
91.05496	15.6
91.74036	1.1
93.07051	21.4
95.04949	5.2
95.07977	1.2
95.08604	23.6
97.02869	4.4
97.06520	5.5
98.20810	2.8
99.08067	2.9
99.57872	1.2
103.05432	2.0
105.06383	2.1
105.07040	31.2
107.04914	3.4
107.08608	25.4
107.10664	1.1
109.06500	4.4
109.10164	14.3
111.04440	1.2
111.08082	2.6
113.05980	1.2
116.06237	1.7
117.07023	6.7
119.08591	43.5
121.06504	7.2
121.10154	17.8
123.04259	1.5
123.08048	2.4
123.11671	3.4
125.09624	2.4
127.03857	2.0
128.06190	2.6
129.06967	3.9
130.07811	1.3
131.08582	24.2
133.06534	7.1
133.10139	35.8
135.08083	11.2
135.11705	9.2
137.06006	2.7
137.09612	4.9
141.06984	1.6
142.07709	2.7
143.08557	11.9
144.09286	3.2
145.06499	2.8
145.10139	27.9
146.10783	1.1
147.04353	1.8
147.08055	6.9
147.10608	2.1
147.11687	17.5
149.05975	1.6
149.09589	4.9
149.13248	4.8
151.11166	2.2
155.08508	3.2
156.09364	5.6
157.09108	1.4
157.10153	14.5
158.07242	1.4
158.10847	2.9
159.08052	8.8
159.10442	1.5
159.11710	25.3
160.08826	1.6
161.09633	10.1
161.13269	10.9
163.03917	1.3
163.11169	2.9
163.14803	4.8
169.10135	6.9
171.08099	2.1
171.11691	16.6
172.08823	4.4
172.12477	1.6
173.09648	22.2
173.13271	23.6
174.10408	3.1
175.11230	7.3
175.14827	15.2
177.12772	3.3
177.16338	3.5
179.10672	1.5
181.08554	1.5
181.10097	2.4
182.10942	2.7
183.11707	11.1
185.09587	4.0
185.13264	15.6
186.10388	6.7
187.11232	9.7
187.14807	17.7
189.12712	7.8
189.16409	8.7
191.14351	10.9
193.12372	1.5
195.11684	2.6
196.12389	2.1
197.09615	1.9
197.13234	7.9
199.11211	12.2
199.14822	12.2
201.12756	32.3
201.16388	17.4
203.14360	20.1
203.17911	4.9
205.15976	6.1
207.13727	1.4
209.13203	3.3
211.11215	1.3
211.14771	5.5
213.12782	2.6
213.16318	5.4
215.14343	16.7
215.17928	2.4
217.10153	1.5
217.12263	1.5
217.15866	10.1
219.13826	3.8
219.17436	4.5
221.13322	1.5
221.15364	6.1
223.14755	2.2
225.16354	2.4
227.14284	2.9
227.17867	4.2
229.15778	2.6
231.13823	2.3
233.15302	2.2
237.16475	1.8
239.17946	2.4
241.19519	2.6
243.17442	2.9
245.15295	2.5
247.16943	3.0
249.14700	2.1
251.17896	1.3
253.19450	1.8
268.57178	1.4
269.18900	1.6
279.16226	1.7
293.22095	1.7
336.91891	1.2
355.71628	1.4
387.26587	1.3
405.27509	4.0
405.31598	4.9
423.32880	8.8
433.27197	5.3
441.25766	41.2
442.25760	1.6
451.27429	7.6
469.29315	100.0
470.29443	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	469.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.2
55.01869	11.9
55.05513	34.6
57.03445	40.3
57.07069	4.5
60.96798	2.8
61.02930	80.8
65.03934	6.8
67.05169	5.1
67.05510	90.7
69.03436	55.0
69.07072	17.5
69.69901	3.1
71.01350	10.8
71.04982	10.7
73.02921	39.2
74.72314	3.2
75.01847	4.0
79.05064	5.5
79.05502	99.7
81.03421	34.2
81.07063	83.9
83.04978	11.8
83.08615	10.1
85.02908	83.0
85.06534	6.1
87.04440	6.6
91.03963	51.2
91.05488	66.5
93.07051	100.0
95.04961	14.0
95.08611	81.9
97.02898	72.2
97.06501	7.3
97.10150	3.5
99.04465	18.6
99.08085	7.1
101.02368	16.2
103.03929	13.7
105.07048	52.4
107.04978	4.2
107.08596	46.1
109.02882	10.4
109.06501	4.2
109.10177	40.1
111.04423	3.9
111.08074	5.3
115.03931	9.8
117.07011	18.6
119.08586	42.9
119.77348	3.4
121.06500	4.8
121.10150	63.8
123.08043	8.8
123.11695	13.8
124.89260	3.4
125.09647	4.4
127.03913	25.5
129.05478	8.9
129.07013	5.5
131.08589	37.6
133.10138	38.9
135.08063	6.7
135.11696	37.4
137.09642	4.8
142.07829	3.9
143.08574	9.6
145.04933	12.7
145.06337	2.9
145.10144	33.7
147.11713	22.9
149.09641	7.7
149.13255	12.9
151.11189	4.5
157.10127	10.0
159.11699	24.4
161.09608	6.7
161.13260	9.7
163.11163	11.5
168.56920	3.2
169.10127	8.1
171.11656	13.3
172.91000	3.1
173.13286	23.0
175.11174	6.2
175.14796	5.7
183.06546	4.6
183.11613	5.0
185.13307	8.3
187.14822	12.9
189.16325	9.2
197.13287	4.0
199.14803	5.8
201.07542	4.7
201.16437	7.3
203.14235	7.5
205.12303	3.2
205.16011	5.4
205.19487	3.3
209.29652	3.6
211.14847	3.6
213.16385	8.2
215.17963	22.1
227.17944	5.1
231.17409	5.3
233.19016	15.4
275.20145	4.1
307.22675	87.0
359.22058	4.6
377.23148	3.3
383.19199	3.7
405.31464	5.8
423.32458	9.2
433.25879	6.0
451.32407	5.7
469.27884	25.9
469.33865	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	469.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.3
53.03951	3.3
55.01874	5.7
55.05516	24.3
57.03442	2.2
57.07067	4.2
59.05007	1.9
61.02924	2.4
61.06080	1.1
65.03947	3.0
67.05507	30.2
68.99787	3.0
69.03439	13.6
69.07072	22.7
69.45379	7.2
69.45788	2.1
71.04995	7.0
73.02911	2.3
73.06572	1.3
76.20651	1.2
79.05500	27.3
81.03425	11.1
81.07064	64.6
83.04986	64.9
83.08619	12.7
85.02911	15.7
85.06557	3.1
87.00843	8.3
91.05486	34.9
93.07051	51.9
95.04971	23.0
95.08614	68.1
97.02904	7.3
97.06551	6.3
97.10188	3.4
97.89571	1.4
99.04491	3.3
99.08118	3.2
103.03956	2.1
103.05490	2.5
105.01883	3.9
105.07039	81.5
107.04984	2.2
107.08604	65.0
109.02905	7.6
109.06528	11.6
109.10163	37.9
109.10920	2.2
111.04455	3.4
111.08073	6.5
115.03969	1.8
115.05497	2.1
117.07022	11.7
119.08591	100.0
121.06544	6.1
121.10149	47.9
123.04456	4.1
123.08070	11.9
123.11707	18.1
125.06022	2.6
125.09634	7.1
127.03953	9.4
127.11219	3.9
128.06245	3.8
129.01863	3.2
129.07013	8.8
130.07817	2.7
131.08586	43.0
133.06497	7.3
133.10141	66.6
135.04425	1.4
135.08087	8.0
135.11707	23.6
137.05960	2.1
137.09636	5.6
137.13281	3.8
139.07576	2.2
139.11168	2.1
141.06995	2.0
142.07863	5.7
143.08585	20.3
144.09351	3.3
145.04971	2.5
145.06508	1.7
145.10136	58.9
145.11287	2.8
146.10820	2.2
146.71095	1.2
147.02971	2.4
147.04413	2.7
147.08083	4.0
147.11696	50.4
149.06039	1.6
149.09654	4.5
149.13264	25.3
151.07585	2.6
151.11201	4.9
153.09126	4.0
153.12820	2.5
155.08583	8.2
156.09402	5.7
157.10149	25.9
158.10933	3.6
159.02913	2.6
159.08090	3.0
159.11708	50.2
159.13020	2.6
160.12563	1.3
161.09590	6.6
161.13263	48.1
163.03951	2.4
163.07565	2.3
163.11217	6.5
163.14848	14.5
165.09204	3.5
165.12827	3.9
167.08604	2.5
167.10747	1.4
168.09496	1.7
169.10127	7.6
170.10962	3.6
171.08112	1.3
171.11671	17.7
172.12614	1.7
173.09715	2.7
173.13286	35.9
175.07584	1.7
175.11266	5.3
175.14835	32.5
175.16266	2.0
177.09102	2.2
177.12788	7.0
177.16374	13.1
179.07013	1.3
179.14375	2.0
181.10258	2.6
182.10986	1.8
183.11720	8.6
185.13278	39.3
187.11221	2.5
187.14845	36.9
189.03944	1.9
189.05641	1.4
189.12798	6.5
189.16389	26.4
191.10635	2.1
191.14299	14.8
191.18007	5.5
193.15991	3.5
195.11813	3.1
197.13263	6.5
199.14832	21.3
201.12827	5.2
201.16400	63.5
202.01927	1.3
203.14328	22.2
203.17966	25.4
205.15898	29.1
207.11769	2.3
207.13803	1.6
207.17505	2.0
209.13365	2.9
209.15530	1.2
211.14911	3.6
213.12904	2.4
213.16394	16.0
213.18071	1.5
215.14262	6.4
215.17899	6.2
217.15892	16.6
219.13969	2.0
219.17451	15.4
221.15451	6.7
221.19049	3.6
223.14934	2.6
225.12816	3.2
225.16377	6.1
227.17999	7.0
229.15971	3.6
229.19595	2.8
231.13966	3.0
231.17470	9.2
233.15385	2.4
233.18953	2.7
237.16460	1.8
239.18108	3.1
241.15891	2.3
241.19624	5.1
243.13963	1.5
243.17529	3.1
245.15448	5.4
245.19096	3.1
247.16936	13.9
249.14923	11.6
249.18573	1.5
253.19644	3.2
255.21210	2.1
257.19077	3.1
259.17001	3.4
261.15024	3.8
263.16415	5.8
263.20163	1.2
267.21103	2.0
269.19135	2.5
281.22781	2.1
283.20523	1.8
285.18484	1.6
287.20023	2.1
293.19104	1.9
295.24280	1.6
299.20206	1.7
311.20193	7.3
311.23499	2.0
317.21539	1.4
323.27664	1.8
327.23105	1.8
329.21198	4.0
347.27512	3.8
355.26355	2.2
369.28229	1.9
387.30426	4.0
393.28006	5.3
405.31540	22.0
407.33255	5.2
411.29028	6.6
423.32651	22.5
433.22101	2.1
433.31317	5.9
439.32135	2.3
441.33719	2.8
451.23251	5.1
451.32150	18.3
469.23956	2.9
469.33289	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	468.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.1
57.07079	26.8
67.05499	8.3
69.07085	3.6
71.08340	1.6
71.08642	18.1
71.60114	2.3
72.65134	1.9
73.87269	1.8
81.07054	2.9
82.23798	1.7
83.08640	2.7
85.10181	14.7
87.04459	3.6
89.06036	100.0
93.07070	2.1
93.08412	1.8
95.08604	4.4
95.26445	1.7
96.08946	2.3
97.10181	3.1
107.07064	3.2
107.08574	1.8
109.10152	3.9
110.10522	2.1
117.07002	2.0
130.08644	2.8
133.08614	59.6
133.10138	2.7
163.23640	1.7
176.00340	1.8
177.11256	23.6
195.12427	4.9
239.14783	4.3
247.83099	2.1
283.17523	60.0
301.27588	2.2
314.27615	3.8
413.91705	2.1
451.36075	6.8
468.32309	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	469.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.9
55.01875	13.6
55.05510	26.8
56.60605	4.2
57.03433	5.2
57.07068	6.8
59.04999	4.5
61.02930	7.8
67.05507	36.9
67.56628	3.6
68.99802	8.1
69.03443	35.4
69.07063	20.5
71.04996	17.5
71.59230	3.8
79.05499	43.8
80.48868	4.3
81.03426	26.7
81.07063	76.8
83.04977	14.9
83.08620	12.1
85.02911	38.4
87.00839	22.7
89.03928	7.8
91.04623	3.7
91.05489	56.4
93.07056	56.6
95.04977	25.6
95.08607	64.7
97.02907	17.9
97.06547	16.4
99.04470	9.4
99.08095	4.6
99.63401	4.2
103.03940	8.5
105.01832	5.7
105.07040	89.9
107.04955	12.1
107.08587	76.5
109.02885	13.6
109.06546	21.5
109.10170	48.7
111.08086	14.8
115.03934	9.8
117.01849	4.1
117.03419	7.6
117.07030	22.2
119.08586	100.0
121.02841	5.7
121.06516	21.8
121.10142	51.9
123.04496	8.3
123.08076	24.7
123.11697	15.3
125.09603	5.9
127.03924	18.3
127.11176	18.8
128.06224	10.0
129.01826	5.9
129.07004	15.9
131.08575	45.5
133.06511	15.1
133.10136	64.5
135.04411	15.0
135.08051	17.5
135.11697	28.2
137.05974	5.5
137.09631	21.1
137.13258	6.6
139.07590	4.6
141.07031	7.2
142.07774	9.7
143.08575	34.3
144.09407	6.2
145.02844	9.0
145.04826	4.2
145.06500	8.3
145.10112	67.2
147.02945	4.3
147.08095	31.4
147.11684	46.5
149.09645	6.9
149.13295	10.5
151.07538	6.6
151.11154	9.6
153.12752	12.1
155.08600	11.5
156.09308	10.4
157.10152	39.0
159.02943	6.9
159.08081	11.8
159.11726	52.4
161.09605	20.9
161.13254	39.2
163.03860	37.2
163.11209	29.2
163.14839	5.7
165.09103	5.6
165.12756	6.8
167.08662	7.1
167.77490	4.1
169.10156	19.5
170.10939	5.1
171.08083	10.1
171.11679	31.5
173.09604	16.1
173.13234	23.6
175.11172	19.5
175.14812	24.5
177.12776	11.3
179.08510	8.5
181.10162	10.4
182.10870	6.5
183.11714	20.5
185.09634	13.3
185.13304	26.5
187.11159	8.5
187.14864	18.0
189.03958	6.0
189.09154	7.7
189.12808	18.7
189.16383	16.6
191.10690	5.3
191.14343	13.5
193.10185	8.4
193.15910	6.0
194.10944	5.3
195.11690	12.1
197.09743	4.5
197.13289	12.1
199.11200	12.1
199.14871	16.4
201.12781	19.4
201.16328	22.0
203.14301	40.6
203.17996	11.1
205.15851	13.2
205.17596	4.6
207.11787	10.3
207.13689	4.7
209.13304	11.7
211.11388	5.0
211.14926	5.9
213.12787	13.1
213.16371	12.0
215.14359	12.0
215.17937	7.0
217.12289	8.1
217.15912	7.6
218.66640	4.0
219.17406	7.6
221.13443	6.0
221.15411	16.9
221.18999	4.0
223.14879	8.4
225.12794	17.5
227.14371	13.3
227.17923	9.1
229.12265	4.7
229.15892	9.2
231.13846	28.8
231.17348	5.6
233.13127	5.3
233.15295	5.0
236.35062	4.2
241.15927	14.2
243.13885	14.0
243.17487	4.8
245.19037	9.9
253.15907	6.0
255.17488	8.9
257.19083	9.4
259.17090	6.3
265.15939	8.5
267.17630	5.1
281.18939	4.9
291.17453	6.2
293.19022	4.6
311.20038	12.1
329.21228	9.9
373.25061	5.3
379.26437	6.1
391.26291	6.4
403.26559	14.7
409.27554	10.5
415.26483	10.8
421.27124	26.7
433.22247	8.5
433.27402	21.6
451.23059	8.8
451.28488	52.7
469.23862	5.9
469.29306	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	468.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.0
67.05508	8.3
69.03436	8.4
69.07078	8.8
70.75317	8.0
71.05000	7.3
79.05501	13.2
81.03416	3.4
81.07069	35.7
83.04990	7.2
83.08636	4.0
83.70504	2.9
85.02885	6.5
85.06535	5.3
87.00874	4.4
91.05487	10.7
92.08394	3.3
93.07056	41.4
95.04977	12.1
95.08611	34.1
97.02892	3.9
97.06574	18.9
99.04476	18.8
105.07050	28.5
107.04971	4.4
107.08620	28.4
107.54441	3.3
109.06522	24.0
109.10144	6.7
111.08079	15.3
119.08607	13.5
121.06515	56.5
121.10155	3.3
123.08024	4.9
123.11736	5.9
125.06004	12.7
127.03893	5.7
127.07571	7.4
129.06981	3.8
131.08554	7.3
133.10138	15.1
135.04454	4.3
135.08069	7.3
135.11729	7.6
137.05983	4.9
139.07549	10.9
143.07043	8.3
143.08623	6.0
145.10127	5.6
147.08092	5.6
147.11711	32.3
151.11200	4.3
156.09283	3.2
157.08629	10.3
157.10146	9.2
159.06551	7.8
161.13297	8.3
165.12805	13.9
169.12280	17.1
171.11711	9.3
175.11203	28.0
177.24350	2.8
181.05052	3.9
181.10158	4.3
189.12758	11.8
193.12308	18.5
199.11198	24.1
207.13829	7.9
211.13297	21.4
217.12271	67.0
229.14371	11.6
235.13313	87.8
235.15582	5.7
253.14372	100.0
271.15433	12.7
289.16519	13.2
412.25952	3.8
471.32175	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	467.3161
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03943	6.0
55.05518	16.1
57.07090	2.6
67.05505	24.5
67.82627	2.3
69.03430	14.7
69.07073	20.0
69.57866	15.0
69.58273	5.8
70.06583	6.4
70.45734	3.1
71.04966	4.2
79.05494	24.7
81.03409	12.6
81.06643	4.2
81.07065	57.6
82.76520	2.5
83.04991	18.0
83.08624	7.7
85.02902	15.1
85.06550	3.3
87.00811	6.8
91.05482	40.4
93.06478	3.0
93.07052	51.8
95.04971	8.9
95.08046	4.4
95.08614	61.2
97.02888	10.8
97.06541	7.3
98.20826	4.2
99.04481	2.4
99.08080	5.3
103.05482	2.7
105.07035	85.7
107.08594	71.9
109.02882	8.2
109.06518	10.9
109.10163	34.9
111.08077	5.0
115.05442	3.9
116.89614	2.4
117.07026	21.2
118.11869	2.6
119.08584	100.0
120.07980	2.5
121.02858	3.3
121.06509	7.2
121.10148	44.5
123.08034	8.1
123.11754	16.3
125.06010	4.0
125.09637	5.9
127.03894	16.1
128.04268	3.5
128.06238	5.8
129.07018	11.1
130.00639	2.5
130.07779	5.0
131.04843	2.3
131.08572	53.2
133.06528	3.3
133.10139	62.6
135.08035	8.5
135.11696	16.3
137.09621	5.1
137.13249	3.3
138.95537	2.9
139.11096	3.5
141.06999	5.2
142.07771	13.2
143.08571	33.7
144.09338	9.8
145.02817	3.2
145.04990	5.0
145.10126	97.1
147.04402	4.1
147.08098	3.7
147.11697	34.0
149.05997	3.8
149.09674	5.0
149.13280	10.5
151.11218	4.1
155.08563	10.7
156.09337	10.2
157.10130	47.8
158.10880	5.3
159.02838	3.2
159.08081	5.6
159.11708	71.9
160.12190	4.3
161.09631	9.5
161.13263	29.7
163.03879	4.4
163.07501	4.3
163.11261	6.3
163.14783	8.4
164.07137	4.2
169.10117	16.6
170.10918	9.9
171.11710	35.2
172.12395	3.5
173.09599	5.1
173.13277	50.2
175.11166	5.8
175.14851	26.3
177.12793	3.9
177.16418	10.2
181.10085	4.7
182.10855	5.0
183.11690	22.1
184.12418	2.9
185.09793	3.0
185.13274	36.9
187.11159	8.5
187.14821	48.5
188.32779	3.3
189.12785	7.6
189.16435	18.1
191.14326	19.7
191.18033	3.8
195.11720	7.2
197.09724	4.1
197.13252	15.0
199.11182	9.0
199.14828	44.5
201.12750	19.8
201.16380	37.6
203.14418	17.4
203.17990	8.3
205.12346	2.8
205.15903	35.9
207.17477	5.9
209.13315	5.6
211.14827	10.9
213.12836	6.2
213.16365	13.3
215.14320	9.7
215.17819	4.2
217.12236	6.7
217.15918	23.8
219.13876	3.4
219.17400	15.7
221.13281	4.6
221.15392	7.7
223.14830	7.3
227.14368	7.5
229.15918	8.3
231.17392	5.1
237.16498	5.1
239.17963	4.4
243.13850	4.1
243.17435	5.9
245.15378	9.9
245.19189	3.1
247.13521	3.4
253.19475	3.6
255.17436	3.6
257.18970	5.7
265.19675	4.4
269.18988	2.7
276.99255	3.4
278.03635	3.7
285.18655	4.0
365.28622	3.4
384.94821	4.6
391.29996	4.4
403.29968	23.5
405.31454	6.9
412.94345	12.0
421.31146	28.7
431.29510	8.2
449.30878	19.7
453.77206	2.9
467.32068	31.2
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	Stellettin K
Peak:m/z	Relative Intensity
53.03937	5.4
55.05515	17.9
57.07083	3.9
59.08264	2.6
67.05512	18.8
67.40594	2.3
69.07069	10.6
69.37537	14.7
69.37965	10.8
74.42586	2.3
76.75324	2.6
79.05500	19.3
81.07066	48.1
83.04993	88.8
83.08636	5.0
91.05495	29.5
93.07059	41.3
95.05003	14.4
95.08626	48.5
97.06531	6.3
102.09980	3.0
105.07043	87.1
107.08610	55.4
109.06536	9.6
109.10179	28.5
111.08067	3.8
117.07038	12.5
119.08595	71.7
121.06513	4.3
121.10157	31.7
123.08087	7.6
123.11710	12.2
125.09673	5.5
128.06253	3.4
129.07033	9.0
131.08583	54.8
133.10143	33.8
135.08051	7.2
135.11690	12.3
137.09665	2.8
141.06956	4.6
142.07806	8.0
143.08572	31.5
144.09395	6.7
145.06483	3.0
145.10133	64.8
147.11711	42.8
149.09718	4.4
149.13266	13.5
151.07497	3.1
154.07712	3.1
155.08594	12.3
156.09380	6.1
157.10132	38.7
157.11298	3.8
158.10947	5.6
159.08107	5.6
159.11713	66.5
159.29480	2.7
161.13272	24.5
163.07544	5.7
163.11258	5.9
163.14810	7.4
168.09323	7.4
169.10167	15.3
170.10828	3.5
171.11713	23.4
173.09660	3.6
173.13280	49.9
173.14682	4.2
175.14819	23.5
177.12820	4.0
177.16403	7.9
181.10101	4.4
182.10910	7.0
183.11729	29.7
185.13289	27.9
187.11214	3.3
187.14880	28.3
189.12798	3.6
189.16338	9.8
191.14287	7.8
192.81607	2.5
195.11703	5.2
197.13292	14.7
199.11186	5.2
199.14865	35.0
201.12776	100.0
201.16429	24.0
203.14336	21.1
203.17996	3.4
205.12349	16.5
205.15919	9.9
209.13266	6.0
211.14896	8.6
213.16383	8.9
215.14340	10.5
215.17986	4.9
217.15819	13.4
219.13844	3.9
219.17453	3.1
221.15427	11.0
223.14926	5.1
225.16289	4.2
229.15883	8.8
231.13982	2.9
237.16376	5.5
239.17943	5.9
243.13805	3.4
247.13290	38.8
251.17961	2.7
257.15448	8.4
261.14853	3.7
269.19012	3.5
279.20923	3.9
297.18253	3.3
300.74960	2.9
363.26971	6.7
391.26123	5.8
403.29953	21.2
405.31766	3.8
409.27542	6.3
421.31061	23.1
431.29590	6.5
449.30579	21.9
459.81696	2.7
467.31686	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
55.05510	13.5
57.07070	9.0
67.05505	20.3
68.38203	2.9
69.03423	8.1
69.07080	22.1
71.59188	3.8
79.05503	21.1
81.03423	7.2
81.07059	43.6
83.08620	13.6
85.02908	7.2
86.09711	9.3
86.77637	3.1
91.05490	32.7
93.07053	46.2
95.05025	7.0
95.08618	60.7
97.06535	5.5
97.10178	5.2
99.08086	4.7
105.07046	66.6
107.08604	77.9
108.51328	2.9
109.02869	3.2
109.06538	4.0
109.10172	34.5
109.67065	3.1
111.08032	3.4
115.05507	5.2
115.07616	5.3
116.56574	4.1
117.07041	18.1
119.08586	84.0
121.06532	9.1
121.10152	56.0
123.08109	9.1
123.11741	16.1
125.09672	4.0
127.03905	3.6
128.06201	5.4
129.07007	12.0
130.07756	5.7
131.08572	43.4
133.10136	50.8
135.08046	14.0
135.11707	38.0
137.09578	4.8
137.13266	7.1
141.07053	3.8
142.07784	11.4
143.08563	25.9
144.09331	8.1
145.10136	100.0
147.08031	4.5
147.11719	36.6
149.09656	6.6
149.13260	13.5
151.11194	6.8
155.08577	12.5
156.09346	10.5
157.10158	47.8
158.10922	10.7
159.08070	6.0
159.11707	90.8
161.09654	8.7
161.13246	28.1
163.11212	14.8
163.14853	9.4
169.10185	14.7
170.10913	12.2
171.07925	3.4
171.11728	30.6
173.09688	5.7
173.13258	43.0
175.11253	7.5
175.14856	33.6
177.12778	6.9
177.16394	30.3
183.11710	18.7
185.13333	28.3
187.11211	6.7
187.14856	83.8
189.09218	3.7
189.12779	12.8
189.16385	54.2
191.14273	4.5
191.17973	42.9
195.11736	6.7
197.13301	18.1
199.11256	6.2
199.14832	46.3
201.12737	14.5
201.16371	38.0
203.14278	15.6
203.18033	6.9
205.15889	68.7
207.17374	4.3
209.13298	3.6
211.14848	5.9
213.16417	26.9
215.14278	18.0
215.17941	11.4
217.12120	5.4
217.15936	13.3
219.13916	3.7
219.17450	7.1
221.15269	6.4
225.16374	4.2
227.17975	4.8
229.15860	4.4
231.17485	4.9
233.15331	7.2
239.18121	4.8
243.13837	6.1
245.15463	5.4
247.13329	4.0
251.17955	3.9
253.14377	6.2
261.14890	6.4
263.12701	6.0
278.21146	5.4
385.29028	4.5
390.25919	3.6
403.29749	20.2
405.31561	5.8
421.31079	38.3
423.32971	3.5
431.29514	10.0
437.30484	9.9
449.30408	31.5
467.21939	4.4
467.31607	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.316
Annotation	Stellettin K
Peak:m/z	Relative Intensity
52.14661	2.4
53.03928	5.8
55.05513	18.3
57.03453	3.9
57.07076	4.0
57.23565	2.1
58.65641	2.1
59.04991	2.3
62.59652	2.2
65.03918	3.4
67.05505	23.0
69.03424	8.6
69.07066	14.5
69.53740	18.1
71.04989	4.0
79.05496	18.4
81.03410	7.5
81.07061	52.5
83.04982	65.3
83.08625	4.7
85.02895	9.3
85.75910	2.7
87.00813	4.9
91.05484	34.1
93.07049	47.6
93.28216	2.3
95.04971	13.0
95.08611	57.4
97.02870	6.2
97.06536	9.2
97.10183	3.0
98.21552	5.7
99.08067	3.5
105.07031	95.0
107.08601	67.1
109.06506	10.4
109.10157	30.1
111.04435	5.5
111.08067	3.3
115.05450	4.1
117.07014	21.3
118.58536	2.8
119.08585	100.0
121.06491	8.5
121.10136	38.4
123.08078	14.1
123.11699	14.0
125.09615	5.7
127.03933	6.5
128.06219	6.8
129.07031	11.7
130.07742	5.6
131.08575	59.3
133.06502	4.5
133.10132	54.6
135.08052	8.8
135.11668	16.5
137.09607	6.4
141.06973	3.8
142.07755	10.2
143.08565	33.4
144.09358	4.8
145.10130	79.8
147.08044	8.2
147.11696	56.0
149.09634	5.9
149.13260	15.6
151.11191	4.7
155.08571	12.4
156.09338	12.5
157.10124	49.2
158.10992	5.4
159.08122	4.3
159.11696	75.2
160.12228	3.3
161.09607	14.4
161.13263	25.4
163.07549	6.1
163.11195	9.2
163.14819	10.5
167.08545	3.0
168.09349	4.0
169.10114	18.0
170.10884	9.4
171.11723	27.6
173.09607	6.8
173.13277	62.6
175.11214	8.4
175.14825	29.7
177.12735	4.9
177.16379	17.0
181.10103	4.0
183.11691	22.3
184.12347	5.5
185.09605	2.7
185.13260	36.3
187.11189	5.4
187.14835	38.2
189.12766	10.8
189.16420	14.9
191.14323	17.1
195.11703	6.0
197.13344	15.5
199.11243	5.8
199.14827	47.1
201.12772	53.7
201.16374	34.8
202.37054	2.6
203.10629	3.6
203.14314	28.9
203.17899	5.7
205.12285	6.8
205.15891	32.6
209.13251	10.0
211.14799	9.0
213.12856	3.4
213.16393	11.0
215.14276	8.1
215.17879	5.5
217.15872	36.0
219.13843	7.2
219.17473	5.2
221.15424	14.8
223.14777	3.1
225.16379	8.1
227.14381	3.8
227.17935	4.1
229.12213	3.8
229.15868	9.2
233.15437	3.7
236.15608	3.0
239.18036	4.6
243.13780	4.9
245.15378	11.2
247.13297	18.6
251.17943	5.9
253.19504	3.8
257.15433	5.8
257.18942	3.7
261.14743	2.9
269.18961	2.5
345.25766	3.4
363.26779	11.2
391.26105	4.2
403.29922	19.7
404.30246	3.2
405.31381	5.2
409.27429	12.6
421.31061	27.6
431.29388	6.6
439.32120	2.6
449.30554	25.5
467.31604	55.1
468.31976	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
53.03947	4.7
55.01875	2.7
55.05516	18.3
56.05046	3.5
57.03443	3.4
57.07085	2.6
61.02932	3.4
67.05508	19.8
67.47476	2.0
68.99797	2.5
69.03441	17.3
69.07074	17.6
71.04993	2.7
71.58241	2.0
73.02910	2.0
79.05495	19.8
81.03423	19.0
81.07059	47.6
83.04980	8.6
83.08619	10.9
85.02920	26.3
85.06544	3.4
87.00845	9.3
91.05476	29.0
93.07049	43.1
95.04989	10.8
95.08611	47.8
97.02895	10.4
97.06535	8.1
97.10178	3.6
99.04468	9.2
99.08060	2.7
105.01883	4.9
105.07035	70.4
107.04974	2.8
107.08604	67.3
109.02897	9.1
109.06516	7.0
109.10156	32.1
111.04461	4.6
111.08146	2.5
115.05462	3.3
117.07021	15.2
119.08592	83.7
121.06517	5.4
121.10146	47.9
123.08091	7.0
123.11720	7.7
125.06050	3.6
125.09638	2.6
127.03940	18.8
128.06273	5.9
129.07002	17.2
130.07794	5.0
131.08572	50.8
133.06512	3.7
133.10139	68.0
135.08040	8.0
135.11717	23.3
136.07530	3.9
137.09637	6.7
137.13332	2.3
141.06998	2.6
142.07748	12.4
143.08546	28.8
144.09332	9.0
145.04968	3.7
145.10133	100.0
145.11292	4.7
146.60873	2.1
147.08069	2.4
147.11700	33.1
149.09619	9.5
149.13283	11.4
151.07581	4.8
151.11185	3.3
155.08571	8.6
156.09349	6.5
157.10133	46.2
158.10858	9.8
159.02933	4.7
159.08109	3.2
159.11702	86.4
161.09639	6.8
161.13281	28.5
163.11221	14.5
163.14876	5.6
164.07101	4.0
165.12770	2.9
167.10713	2.4
168.09428	4.4
169.10158	16.3
170.10930	7.3
171.11688	33.8
172.12456	4.9
173.09612	4.5
173.13277	39.3
175.07536	2.4
175.11171	10.0
175.14850	26.3
177.12761	7.4
177.16388	18.3
181.10181	6.4
182.10840	3.7
183.11696	17.7
184.12555	3.5
185.09666	2.7
185.13255	30.4
187.11198	3.8
187.14841	63.1
189.09000	4.1
189.12788	6.7
189.16386	33.4
191.14310	4.2
191.17970	7.3
191.46173	2.5
193.12341	2.8
195.11740	7.4
196.12563	2.1
197.13307	15.5
199.14841	35.7
201.12769	11.9
201.16397	76.9
203.10646	5.0
203.14413	11.4
203.18005	7.6
204.15099	2.5
205.15895	48.0
209.13309	5.6
211.11203	3.0
211.14841	7.1
213.04041	3.0
213.12733	5.3
213.16382	20.0
215.14374	19.5
215.17929	13.4
217.15886	9.8
219.13831	2.8
219.17462	10.1
221.13406	3.5
221.15373	5.7
223.14795	3.7
225.16379	3.3
227.14293	2.9
227.17999	6.2
229.15857	3.9
231.05177	2.7
231.13815	4.1
231.17447	4.7
233.15388	5.4
235.14932	2.3
235.17088	2.8
239.14491	2.7
239.18063	4.2
243.13800	4.0
245.15396	3.0
249.15007	2.5
251.18103	3.8
253.19591	3.2
261.14868	9.0
267.21243	3.4
283.16888	2.4
309.18222	2.4
335.27161	2.2
394.72433	2.7
403.30173	14.0
405.31531	3.4
421.31082	25.1
423.32501	2.7
431.29431	6.2
437.30472	4.1
439.32092	8.4
449.22150	4.2
449.30478	16.7
467.22839	4.2
467.31601	69.4
468.31635	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	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03953	3.9
53.07166	2.3
55.01864	3.5
55.05503	11.6
67.05517	15.5
67.28494	2.3
69.03416	6.0
69.07070	15.0
70.84415	5.2
79.05485	18.4
81.07057	34.4
82.07384	3.2
83.08617	8.0
84.54945	2.7
91.05490	26.3
93.07051	44.1
95.04977	7.1
95.08612	45.2
97.06525	10.8
97.10184	3.9
105.07039	62.4
105.14116	2.6
107.08598	64.7
109.06536	10.6
109.10158	22.5
111.08108	2.5
116.71660	2.5
117.07020	10.8
119.08591	98.7
121.06541	5.2
121.10156	46.4
123.08070	11.7
123.11716	9.7
125.03788	2.5
125.09611	4.1
128.06239	4.2
129.07011	11.8
131.07599	3.2
131.08575	51.2
133.10139	52.1
135.08069	7.6
135.11682	24.9
137.09656	5.9
141.06998	4.6
142.07773	7.2
143.08577	24.9
145.10123	57.6
147.11722	43.4
149.09633	5.4
149.13268	11.2
153.09111	3.0
154.07747	2.9
155.08556	15.2
156.09389	9.3
157.10147	34.6
158.10854	3.4
159.11705	49.4
161.09644	11.7
161.13278	22.8
163.07605	2.9
163.11195	14.5
163.14780	5.6
165.12781	6.9
167.10725	3.7
169.10126	16.7
170.10855	4.8
171.11726	31.0
173.13283	37.2
175.11230	6.1
175.14832	32.5
177.12758	6.7
177.16368	3.5
181.10176	7.1
182.10931	2.9
183.11734	18.5
184.12451	4.6
185.13277	34.2
187.14850	28.4
189.12781	4.4
189.16389	7.8
191.10728	3.2
191.14297	12.0
193.10092	2.9
193.12279	4.3
193.15950	2.9
195.11725	6.4
196.12436	4.2
197.13277	23.6
199.14827	44.8
201.12836	4.0
201.16406	29.0
203.14336	13.7
203.18039	4.9
205.15935	6.4
207.11774	4.3
207.13725	3.1
209.13338	10.5
211.14838	21.0
213.12820	3.5
213.16425	18.4
215.14397	5.7
215.17989	7.4
217.15910	11.7
221.13287	5.4
221.15384	6.9
223.14915	10.3
225.16357	13.3
227.18027	15.8
229.16016	3.3
231.13837	4.2
233.15430	5.4
235.16954	5.9
237.16397	10.5
239.18015	19.2
241.19484	21.4
245.15410	15.3
247.17027	7.3
249.16399	4.2
251.18007	10.0
253.19521	15.0
255.21239	5.3
257.15469	3.4
259.16916	5.8
263.18015	5.7
265.19550	6.6
267.21140	5.7
271.17126	5.3
273.18622	9.8
277.19604	4.1
279.21234	6.3
283.16995	3.6
285.18600	8.8
287.20306	14.5
291.21198	3.4
297.18518	5.2
299.20126	8.0
303.21057	4.1
319.24091	5.7
365.24689	3.4
385.29175	6.1
391.30203	3.6
403.30020	39.5
405.31769	8.9
419.29446	13.3
421.31046	75.9
431.29211	16.0
437.30515	8.5
449.30591	49.8
467.31622	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	467.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.1
55.01875	7.6
55.05519	12.4
57.03437	4.6
57.07084	2.0
61.02927	4.6
65.03930	2.7
67.05507	20.7
69.03432	30.8
69.07070	14.1
70.06625	2.1
71.04988	5.1
71.59747	2.8
73.02898	4.9
79.05489	14.4
81.03422	32.0
81.07063	36.9
83.04990	6.0
83.08611	7.3
85.02911	41.7
85.06532	2.1
87.00836	22.8
87.04507	2.0
91.03951	3.3
91.05479	21.4
93.07036	31.1
95.04964	7.7
95.08615	43.1
97.02476	1.8
97.02914	20.0
97.06535	6.1
97.10172	3.1
99.04433	10.9
100.11264	5.7
103.05503	3.9
105.01861	9.2
105.07037	100.0
107.04976	2.9
107.08601	40.3
109.02889	27.8
109.06532	4.6
109.10158	29.5
111.04437	4.3
111.08097	4.5
112.73163	2.0
115.03899	3.8
115.05460	2.6
117.01855	4.2
117.07024	7.4
117.69626	2.2
119.08589	55.5
121.02859	1.8
121.06497	7.2
121.10156	25.9
123.04431	2.4
123.08097	4.7
123.11673	4.9
127.03928	41.5
128.06219	4.8
129.01810	3.2
129.07028	7.1
130.07803	5.9
131.08589	27.6
133.06430	1.9
133.10135	39.7
135.08044	4.1
135.11736	13.0
137.09618	4.9
141.06998	2.8
142.07828	5.5
143.08591	15.6
144.09317	6.9
145.05002	11.3
145.06407	2.7
145.10133	58.7
147.04326	2.5
147.08075	5.1
147.11705	31.0
149.05939	2.5
149.13229	3.7
155.08569	3.2
156.09372	6.2
157.10161	21.6
158.10902	3.3
159.02879	11.9
159.08067	2.9
159.11714	54.3
161.09639	4.6
161.13264	19.2
163.11212	4.9
163.14769	3.8
169.10184	6.8
169.27469	2.0
171.11674	14.3
173.13284	22.7
175.11145	5.6
175.14835	13.5
177.12761	4.4
177.16396	3.4
182.15388	2.5
183.11691	8.3
184.07349	3.0
184.08867	4.8
185.13297	12.0
187.11168	4.7
187.14845	15.5
189.03941	2.5
189.12753	2.7
189.16422	8.0
189.82756	2.0
191.14304	8.9
191.17978	5.4
192.69472	2.0
193.10092	2.2
197.09599	6.4
197.13293	6.4
199.11205	28.9
199.14827	19.8
200.27507	2.2
201.12740	4.7
201.16426	47.2
203.10709	2.4
203.14330	5.8
203.17982	18.7
205.15935	5.2
207.11697	2.9
209.13358	2.2
211.11331	3.4
211.14853	6.1
213.04222	2.6
213.12715	2.9
213.16458	5.9
215.14304	2.3
217.15837	8.2
219.17493	17.5
221.13374	2.3
221.15375	5.9
223.14912	2.1
227.17882	2.4
231.05042	8.2
231.17480	3.4
237.16399	2.7
259.16946	2.6
327.19495	2.1
403.30307	3.1
421.30960	7.5
423.12646	2.4
431.20422	3.7
449.21555	4.1
449.30594	7.4
467.11438	7.4
467.22391	4.4
467.27045	3.6
467.31815	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	467.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.3
55.01875	9.7
55.05515	10.6
56.93057	1.8
57.03426	7.4
57.07071	3.1
61.02921	7.2
63.60327	1.7
65.03931	2.9
67.05498	15.0
68.99786	6.1
69.03078	2.9
69.03432	49.6
69.07050	7.4
71.04988	8.0
71.59148	3.1
73.02927	10.2
73.03270	1.9
79.05500	19.1
81.02983	3.6
81.03423	49.3
81.07062	40.7
83.01318	2.3
83.04974	7.1
83.08603	4.8
85.02910	100.0
85.03426	4.9
85.06506	1.9
87.00835	34.7
88.09623	2.2
91.05486	25.9
91.64025	2.3
91.68806	1.9
93.07050	32.5
95.04975	7.7
95.08036	3.6
95.08606	38.2
97.02901	34.0
97.06542	4.0
99.04456	17.7
99.08080	4.4
100.11249	2.7
103.03963	2.6
105.01872	26.8
105.07036	55.1
107.04949	3.9
107.08595	42.5
109.02129	2.4
109.02884	49.8
109.06509	6.7
109.10170	19.5
111.04435	3.2
111.08054	2.8
115.03943	4.2
115.05456	3.0
117.01833	7.0
117.07024	12.9
119.08578	41.2
121.06487	7.1
121.10148	21.6
123.04459	2.1
123.08053	6.1
123.11703	5.5
125.02347	2.3
125.09628	4.3
127.03920	72.7
127.11186	2.7
128.04210	2.5
128.06165	2.4
129.01837	8.1
129.07008	6.4
130.07753	4.2
131.08569	26.0
133.10144	26.2
135.08060	5.4
135.11697	10.7
137.09625	6.9
142.07751	6.7
143.08524	12.2
144.09297	3.6
145.04974	26.2
145.06065	3.5
145.10126	50.1
147.02882	4.2
147.08015	6.4
147.11702	22.7
149.09615	4.6
149.13290	6.5
155.08604	5.9
156.09383	5.4
157.10115	20.8
159.02896	25.7
159.08051	3.8
159.11696	34.8
160.08784	2.8
161.09641	3.0
161.13278	12.0
163.11174	6.4
165.09111	2.3
169.10124	6.8
170.10919	2.4
171.07956	3.5
171.11707	13.0
173.13295	17.0
175.11179	38.1
175.14830	9.4
177.09126	2.4
177.12695	2.2
177.16351	2.6
178.05884	2.4
183.11668	7.2
185.13239	8.9
186.13763	2.0
187.11211	4.3
187.14832	16.7
189.03911	2.2
189.12791	2.8
189.16327	5.3
191.14328	4.2
191.17903	3.2
195.11787	3.3
197.13263	5.7
199.11188	3.0
199.14876	16.5
201.16405	56.1
203.10632	23.4
203.14381	5.0
203.17941	6.3
205.15973	5.0
210.14842	2.4
211.14793	3.8
213.03848	2.8
213.12883	3.9
213.16370	5.9
215.14333	5.2
215.17981	4.2
217.15880	9.7
219.17447	14.2
223.14781	2.6
225.16328	4.8
229.15872	4.5
231.04971	11.9
238.24078	2.3
239.18022	3.4
243.17397	6.0
257.18906	3.6
261.18616	2.2
267.17368	3.2
281.18790	3.1
285.18555	4.4
309.18585	4.4
309.28677	2.1
327.19452	5.4
403.30008	4.6
406.18039	2.4
419.05960	2.1
421.30872	6.3
431.20624	2.7
439.01669	2.0
449.30637	5.6
467.17950	2.8
467.31454	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	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	18.3
53.64571	2.6
55.01862	11.6
55.05504	6.2
57.03420	10.8
58.59227	2.3
61.02914	11.8
64.51916	3.0
67.05514	12.5
68.99776	7.9
69.03435	54.4
69.07056	7.0
70.06586	4.1
70.11877	6.3
70.12257	5.3
71.04977	6.4
73.02912	11.3
79.05489	12.7
81.03421	52.6
81.07061	26.2
85.02908	100.0
87.00832	43.5
91.03921	4.4
91.05461	18.9
93.07045	22.4
95.04951	5.2
95.08613	32.9
95.71022	2.6
97.02898	40.9
99.04452	18.4
105.01875	29.1
105.07034	42.9
107.08597	33.7
109.02887	66.1
109.10144	9.6
115.03922	3.8
117.01827	5.2
117.07021	10.7
119.08569	28.2
121.06435	2.7
121.10137	11.4
127.03921	89.3
129.01846	8.7
129.07126	2.6
130.07793	3.9
131.08569	23.4
133.10139	18.2
135.11699	8.2
136.07571	23.6
137.09616	3.2
142.07784	4.0
143.08556	10.5
144.09354	3.4
145.04974	25.1
145.10123	43.7
147.02849	9.7
147.04219	2.3
147.11667	11.0
149.13225	3.0
152.07063	6.7
152.67018	2.8
153.15422	2.7
156.09337	3.7
157.10115	16.6
159.02872	30.7
159.11694	30.3
159.67676	2.4
161.09595	3.9
161.13263	11.4
163.11221	6.8
164.07054	25.0
169.10139	4.3
171.11700	8.8
173.13246	20.2
175.14815	11.6
183.11710	4.2
184.07285	3.4
185.13271	10.0
187.14885	17.0
189.16455	5.7
191.14334	4.6
197.13223	9.2
199.14819	16.3
201.16405	46.4
203.14349	5.2
203.17946	4.3
205.15880	3.8
213.16364	6.0
215.17830	3.0
217.15942	7.3
219.17473	12.5
221.15355	6.1
229.15935	3.7
231.05034	11.0
231.17540	3.9
243.17421	8.1
287.13788	4.1
303.04941	3.5
304.05231	2.8
305.05563	11.6
309.18594	5.2
347.16235	3.6
355.73422	2.4
403.29993	5.2
421.30954	6.5
431.20374	3.3
439.32385	3.1
449.30637	6.3
467.22232	4.0
467.31805	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	467.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05523	0.9
65.40896	0.8
67.05519	2.0
69.03423	2.3
70.06582	3.5
71.59004	1.5
79.05511	1.7
81.03409	2.0
81.07056	3.1
85.02913	2.6
85.60245	0.8
85.92402	0.9
86.09706	1.6
91.05478	4.4
93.07056	3.6
93.66198	0.9
94.06577	1.2
95.08617	2.3
97.02916	2.1
105.07037	2.4
107.08622	2.4
108.04449	1.2
108.08113	1.5
109.02895	3.3
112.65824	0.9
119.08575	2.5
122.06055	4.1
124.07612	10.2
126.05490	1.0
127.03957	2.4
128.07072	1.2
130.04994	1.4
131.04930	1.4
133.10133	1.9
135.04436	1.4
136.07587	98.9
138.09201	1.1
145.10107	1.5
147.07672	1.1
147.11752	1.3
149.06021	1.0
152.07089	22.1
159.56734	0.9
164.07080	100.0
165.07401	1.4
166.08644	1.8
170.08115	1.2
182.08157	3.0
199.14914	1.5
201.16438	1.0
208.67522	1.0
213.13474	1.1
224.09218	2.5
231.02840	2.1
244.09879	1.1
285.03931	2.0
287.13898	23.8
290.06360	1.3
305.14999	3.0
308.11407	1.1
335.09225	1.2
347.16006	6.4
356.82486	0.9
395.15891	2.5
413.17108	2.3
431.18271	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	466.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.5
55.40733	4.2
59.06120	11.1
64.35651	4.3
67.05508	27.2
68.39660	4.4
69.07069	19.8
70.75430	6.9
70.75748	8.2
79.05487	14.9
81.07061	100.0
83.08613	7.6
91.05477	8.5
93.07059	20.3
95.08614	50.1
97.10170	5.3
105.07014	7.3
107.08591	18.9
107.93495	4.5
108.29090	5.2
109.10142	20.8
112.08776	5.5
117.90357	4.8
119.08582	7.3
121.10133	21.8
123.08099	6.8
123.11691	16.0
133.10150	9.1
135.08061	7.4
135.11746	12.8
137.13243	11.0
147.11667	7.0
149.13284	11.1
151.07553	60.8
153.50670	5.0
161.13367	6.6
163.14838	8.2
166.06265	18.4
175.07533	5.9
177.09152	8.4
177.59026	4.6
188.48061	5.6
189.09076	7.3
190.08600	9.8
191.10649	8.5
191.17842	5.9
200.84859	4.9
206.08145	16.0
263.13766	5.6
409.30826	9.2
466.33249	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	467.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01887	1.9
55.05519	1.0
60.96529	0.9
64.92566	0.9
67.05501	2.0
69.03426	4.0
69.14769	1.0
70.06601	2.7
71.04989	1.0
71.59035	2.2
73.02911	2.1
79.05527	1.4
81.03439	5.2
81.07053	3.0
85.02912	8.8
87.00835	3.7
91.05491	5.6
93.07049	3.7
94.96447	1.0
95.04948	2.2
95.08593	2.5
97.02902	2.9
99.04446	1.6
105.01861	2.6
105.07038	2.1
107.08605	2.1
108.08131	1.4
109.02872	5.3
109.10133	1.9
112.21329	1.0
116.26391	1.0
119.08582	2.9
120.08124	1.3
121.10136	1.3
122.06049	3.0
124.07612	12.4
127.03916	7.0
131.08591	2.4
132.26636	1.1
133.10068	1.1
136.07591	96.0
140.07071	1.5
145.04945	1.6
145.10136	3.3
147.04369	2.6
147.11734	1.6
152.07094	25.7
153.07451	1.1
154.93945	1.2
159.02921	1.7
159.11667	2.1
164.07086	100.0
165.07370	1.1
169.10207	1.1
170.08147	3.2
182.08177	4.1
199.14833	1.2
201.16396	4.6
219.17400	1.6
221.05458	1.0
231.04887	1.4
238.85884	1.2
287.13956	14.9
296.11575	1.8
305.15002	2.6
308.11401	2.3
318.74625	1.2
395.16080	1.5
400.61057	1.1
413.16953	2.5
418.50787	1.2
431.17990	3.0
449.18930	1.3
454.55038	1.3
467.15247	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	466.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85935	4.2
57.03436	24.0
57.82702	4.5
62.07630	3.6
67.87633	4.5
69.03434	74.5
70.03778	4.3
70.06593	12.2
79.05489	6.8
81.03403	6.7
85.02907	49.8
87.04473	55.0
91.05475	18.2
97.02894	60.3
105.07056	8.4
107.04967	38.8
108.05252	8.4
115.03925	68.3
119.04943	11.6
121.02863	4.6
123.04427	9.0
127.03903	5.0
133.04970	62.1
135.02036	4.4
137.05978	100.0
143.04945	5.7
145.04956	6.4
147.04431	8.1
149.06108	5.4
150.07681	5.1
151.06396	3.8
151.07518	19.8
155.07018	15.3
161.05963	10.7
165.05493	40.4
167.06995	6.1
175.07584	8.1
177.05531	4.8
179.07066	34.0
197.07974	5.7
203.07016	9.6
205.08511	5.3
215.07143	4.5
221.08101	14.0
233.07985	28.6
251.09189	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	465.3001
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
51.56478	1.5
53.03953	3.2
55.01874	3.2
55.05510	13.3
57.07074	3.8
59.05003	1.7
67.05510	25.6
67.05878	2.6
69.03429	4.7
69.07069	14.8
71.04977	2.8
77.03944	1.9
79.05491	25.4
81.03423	3.2
81.07060	52.1
83.04993	12.2
83.08634	8.7
91.05486	39.8
91.06009	3.5
93.07047	51.7
95.04968	10.4
95.08608	55.9
97.02916	2.2
97.06540	6.2
97.10185	3.5
98.50916	2.0
99.04472	2.2
103.05428	2.4
105.07037	91.7
107.08610	61.9
109.06509	12.6
109.10156	27.9
109.10842	3.0
111.08070	3.7
115.05482	6.0
117.07021	30.5
119.08586	100.0
121.06504	10.6
121.10155	45.1
123.04456	3.5
123.08080	7.8
123.11697	16.0
125.06042	3.1
125.09673	4.0
128.06242	7.4
129.07014	14.0
130.07817	6.2
131.08580	64.1
133.06516	4.0
133.10133	58.4
135.08073	9.0
135.11693	18.2
137.09605	4.1
139.85999	1.8
141.07005	6.6
142.07799	16.4
143.08563	41.9
144.09337	9.9
145.06508	1.9
145.10133	91.2
145.59677	1.6
147.08054	7.8
147.11684	37.5
147.12778	2.4
149.09663	7.9
149.13271	12.2
151.07590	4.3
151.11227	3.1
151.46384	1.8
153.07004	2.7
154.07768	2.3
155.08591	21.4
156.09360	17.8
157.10150	59.7
158.10928	6.5
159.08104	7.4
159.11700	83.3
160.12091	2.0
161.09645	13.3
161.13268	23.3
163.03951	3.5
163.07562	2.0
163.11186	6.7
163.14851	4.2
165.06927	1.7
165.09149	2.1
167.08591	3.6
168.09407	4.3
169.10147	28.0
170.10910	10.3
171.08061	2.9
171.11699	45.2
172.12451	3.9
173.09679	7.5
173.13280	70.4
175.11215	9.6
175.14841	32.2
177.09247	2.3
177.12791	5.8
177.16399	41.4
177.17834	3.1
179.08617	3.7
181.10150	10.4
182.10869	10.2
183.11697	24.7
183.13202	2.4
184.12498	6.1
185.09656	4.8
185.13260	34.9
187.11287	8.1
187.14836	52.7
188.15192	2.1
189.09204	3.5
189.12801	13.7
189.16400	11.3
191.14372	8.2
192.09425	1.9
193.10179	4.9
193.12260	2.3
193.15910	2.0
194.10912	2.4
195.11748	11.6
196.12672	2.6
197.13243	27.6
199.11223	13.7
199.14835	38.9
201.12756	20.8
201.16371	19.1
203.14325	47.2
203.18021	5.9
205.15894	55.4
207.11804	3.6
209.13304	9.2
211.11349	2.7
211.14816	11.4
213.12856	8.0
213.16389	13.6
215.10934	2.4
215.14346	20.3
215.18021	5.3
217.12326	3.6
217.15915	12.7
219.13882	5.1
219.17476	4.4
221.13390	4.2
221.15446	12.0
223.14877	7.6
225.12831	4.0
225.16455	8.5
227.14383	3.8
227.18008	7.5
229.12402	3.3
229.15948	6.1
231.13860	3.7
231.17488	3.0
233.15417	2.2
235.15053	2.5
237.16455	3.3
239.18019	4.5
241.15912	4.2
243.13922	5.4
243.17543	2.5
245.11641	12.5
245.15421	10.3
245.18954	3.1
247.13182	3.8
249.16455	4.2
251.17859	2.4
255.17436	2.3
257.15381	2.3
259.13412	5.4
261.14963	5.6
263.18097	2.0
268.07391	3.1
269.19067	2.4
277.19736	2.3
281.18890	2.5
285.07733	2.4
297.18732	2.6
311.19852	2.2
317.22717	3.0
373.29047	3.5
383.27454	5.3
389.28802	3.0
391.30228	2.3
401.28406	16.8
403.30078	2.8
419.29449	38.7
421.30829	2.2
429.27933	8.0
435.29141	5.9
437.30460	5.4
447.28989	29.4
465.30066	74.6
466.30142	4.4
478.48474	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	465.3004
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
53.03936	4.0
54.45135	1.5
55.01884	2.3
55.05512	10.3
57.03436	2.3
57.07059	4.6
67.05511	15.3
69.03429	5.5
69.07069	9.7
70.16737	6.6
71.04987	2.2
73.47010	1.6
79.05134	1.5
79.05510	17.3
81.03407	4.2
81.07063	39.4
83.04972	8.6
83.08609	5.2
85.02892	4.7
85.06538	1.9
91.05485	28.8
93.07050	32.8
95.04967	8.1
95.08611	36.7
96.47606	1.7
97.02911	2.2
97.06545	4.6
97.10172	2.6
98.20847	1.9
103.05477	2.2
105.04514	1.7
105.07039	58.2
107.04938	2.1
107.08602	43.8
109.02920	2.1
109.06519	7.3
109.10178	21.2
111.08063	2.8
112.19070	1.6
115.05502	2.3
117.07071	10.8
119.04948	2.5
119.08588	64.8
121.06519	5.5
121.10155	30.5
121.51904	1.9
123.04412	1.9
123.08080	4.8
123.11703	13.7
125.09636	3.4
127.03898	2.5
128.06213	5.6
129.07005	8.3
130.07756	3.5
131.08578	42.3
133.06470	4.2
133.10138	55.3
135.04469	1.9
135.08080	6.4
135.11700	13.7
137.09602	3.6
137.96565	1.8
141.07007	6.7
142.07780	11.5
143.08578	29.5
144.09346	6.2
145.10129	53.3
147.04402	5.7
147.08047	4.5
147.11678	23.6
149.09625	4.9
149.13249	5.2
151.11203	5.0
154.07796	1.9
155.08557	11.3
156.09357	11.8
157.10135	32.8
158.10873	5.1
159.08078	3.0
159.11703	41.2
161.09639	7.7
161.13255	17.3
163.03928	5.7
163.11179	4.2
163.14824	5.0
165.06989	2.6
167.03380	5.2
167.08530	3.5
168.09319	4.1
169.10156	15.5
170.10895	6.5
171.11707	31.5
172.12425	2.5
173.09680	5.9
173.13280	43.6
175.11185	6.4
175.14827	18.1
177.12787	2.8
177.16400	5.4
179.08534	1.8
181.10097	7.5
182.10883	6.2
183.11693	22.5
185.09627	4.6
185.13249	28.3
186.13770	2.1
187.11197	6.0
187.14832	40.6
189.12802	13.2
189.16385	21.8
191.14301	6.1
193.10164	3.5
195.02831	2.7
195.11708	8.4
196.12549	2.4
197.13263	16.6
199.11195	15.1
199.14816	22.8
201.12784	15.6
201.16423	12.7
203.14290	11.2
203.18034	2.2
205.15901	18.8
207.11691	2.9
209.13213	8.1
211.11288	2.1
211.14755	10.5
213.12727	6.2
213.16437	12.0
215.14365	16.0
215.17908	4.5
217.12251	13.0
217.15829	9.3
219.13763	2.5
219.17482	5.2
221.13322	1.8
221.15369	2.3
223.14827	5.0
225.12711	2.7
225.16304	5.0
227.14357	4.7
227.17999	3.4
229.15894	5.2
231.13869	4.4
235.14990	4.5
237.16301	2.5
239.17950	3.2
241.15923	3.6
243.13963	3.7
243.17513	3.8
249.16318	3.0
251.17955	3.0
257.18805	1.8
259.13278	2.6
263.12827	12.4
263.18033	3.0
265.19632	2.7
289.14380	3.4
303.15869	4.5
329.17490	2.5
389.28094	2.7
391.30057	2.2
401.28790	8.8
403.30069	6.0
417.27649	2.3
419.29593	14.4
421.31165	4.1
429.27670	3.3
435.28900	2.5
437.30783	3.1
447.28989	18.6
465.30026	100.0
466.30463	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	465.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80336	0.8
55.01654	0.9
55.01881	7.6
55.05519	21.0
57.03443	9.4
57.07080	11.0
62.19558	0.8
67.05508	9.7
69.07073	25.4
69.36829	4.3
69.37254	3.9
71.08639	6.8
71.53541	0.8
73.02923	6.8
74.07952	0.9
79.05489	3.9
81.03408	1.3
81.07056	10.6
81.18694	0.8
83.08627	20.7
83.41431	0.9
85.02910	1.1
85.10169	2.2
90.34014	0.8
91.05491	1.3
93.07046	5.6
95.04999	1.1
95.08617	9.1
97.06540	1.8
97.10165	12.1
98.98475	49.7
99.08194	0.8
99.99757	0.8
105.77470	0.9
107.08592	3.1
109.02888	1.2
109.10152	4.6
110.03658	2.1
111.08094	1.2
111.11739	3.5
116.99473	0.9
121.10176	6.3
123.11729	1.8
125.09604	1.4
125.13315	1.3
129.05463	2.6
135.11729	5.2
137.00041	3.1
137.13293	1.7
149.13274	1.0
155.01053	44.7
159.25229	0.9
191.00185	1.8
211.03632	1.6
219.21132	1.8
229.04712	3.1
230.49809	0.9
237.22121	9.4
239.23729	1.4
245.32693	0.9
255.87611	0.9
311.25824	100.0
312.26233	2.1
391.22516	1.1
447.25131	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	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01879	3.5
55.05513	16.6
57.03444	1.9
57.07082	17.4
59.05003	3.8
59.21315	1.4
61.02938	1.9
67.05503	7.4
68.99802	2.3
69.03439	18.3
69.07075	75.9
69.33962	1.4
69.34280	12.4
71.04996	7.1
71.08643	11.6
73.02937	2.4
73.06566	11.4
79.05492	7.0
81.03423	16.1
81.07072	8.7
83.05004	2.2
83.08629	5.0
85.02916	34.6
85.10184	4.2
86.90818	1.2
87.00842	19.9
89.06039	30.4
91.05495	5.3
93.07063	5.4
95.04964	2.8
95.08611	4.8
97.02904	25.6
97.06544	2.1
98.09710	2.1
99.04484	4.2
105.01888	22.0
105.07068	4.3
107.08604	5.5
109.02894	13.0
109.06546	1.8
109.10170	4.2
111.04462	2.5
111.11731	91.4
117.06041	1.3
117.06969	1.7
119.08575	9.2
121.06572	1.5
121.10169	4.8
123.04440	2.4
123.11736	5.4
127.03932	28.8
128.06268	1.5
129.01834	1.6
129.06982	1.7
129.12769	100.0
130.13118	1.6
131.08595	2.0
133.10168	5.5
135.04454	1.5
135.11856	1.9
139.11259	1.5
145.04988	11.8
145.10146	4.6
147.11707	3.6
150.09181	2.2
157.10141	2.1
159.02933	3.3
159.11716	3.0
161.06033	2.1
161.09624	2.2
163.03923	4.4
171.11699	4.2
173.13194	2.2
175.14803	1.8
176.20943	1.2
183.11731	1.8
185.13255	1.8
187.14859	1.5
189.03909	2.0
196.07347	1.5
199.15266	1.1
199.16917	8.8
201.16348	1.6
203.14366	1.6
213.63637	1.4
217.17963	2.7
231.05066	5.2
233.15469	1.6
256.07571	1.7
261.18396	1.4
465.28781	2.0
465.33875	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	465.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01870	2.5
55.05519	15.3
57.03434	4.6
57.07081	17.6
59.05001	2.7
61.02945	2.3
63.42946	1.8
67.05504	7.3
68.99808	2.3
69.03439	24.9
69.07072	86.0
70.10769	6.5
70.11187	4.2
71.04991	12.4
71.08634	11.7
73.02885	3.5
73.06570	12.4
73.24201	1.8
79.05482	6.4
81.03410	16.1
81.07059	11.7
83.04981	2.7
83.08626	6.8
85.02423	3.2
85.02909	43.2
85.10189	5.5
85.56957	2.0
87.00829	22.1
89.06039	34.2
91.05489	4.9
93.07069	9.8
95.04999	3.9
95.08598	7.5
97.02895	23.8
97.06519	3.0
98.09754	2.4
99.04443	5.4
103.03948	1.8
105.01867	23.7
105.07021	8.2
107.08595	6.8
109.02876	14.5
109.06526	2.5
109.10161	8.4
111.11728	92.7
116.31861	1.9
119.08601	8.4
121.10153	4.8
123.04437	2.4
123.11714	6.1
127.03913	29.3
129.01823	2.0
129.12761	100.0
130.13109	2.2
131.08516	3.6
133.10152	7.4
135.11694	3.3
145.04973	13.9
145.10121	5.3
147.11713	4.9
149.09627	2.1
157.10094	3.7
159.02921	3.9
159.11678	5.6
163.03918	5.6
173.13280	3.8
183.11775	3.3
187.14911	3.1
195.11806	2.1
197.13304	2.2
199.14984	3.2
199.16985	9.8
201.12979	2.1
205.18079	2.1
206.54903	2.1
213.03899	2.8
217.17986	4.1
231.05055	6.1
410.29071	2.4
465.28897	4.2
465.33813	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	465.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	9.5
53.84991	2.4
55.01864	6.0
55.05518	12.0
57.03440	3.8
58.82586	1.8
61.02925	3.9
61.19944	2.0
65.03917	3.2
67.05513	33.4
68.99780	7.6
69.03125	2.3
69.03439	28.4
69.07076	9.9
71.04984	3.8
76.34846	1.8
77.03951	2.2
79.05503	23.5
81.02971	3.0
81.03419	25.7
81.07066	41.6
83.04993	13.1
83.08598	4.5
85.02912	21.0
87.00829	15.9
91.04961	3.5
91.05488	44.8
92.34618	2.0
93.07053	100.0
95.04980	30.0
95.08037	3.2
95.08618	35.6
97.02901	18.0
97.06528	7.7
97.34787	1.8
99.04449	4.3
103.05473	3.9
105.01868	6.5
105.04456	2.2
105.06385	3.5
105.07040	55.0
107.04984	9.7
107.08604	82.4
109.02897	14.0
109.06512	23.0
109.10162	34.1
109.97163	1.8
111.04459	3.3
111.08073	3.4
115.03926	3.2
115.05448	3.2
115.70255	2.0
117.06998	13.3
117.76066	1.8
119.04945	3.0
119.08594	47.7
121.06542	10.0
121.10159	26.0
123.04420	6.2
123.08028	4.8
123.11738	3.1
125.06004	4.2
127.03908	14.9
128.06236	5.2
129.01834	5.0
129.06992	5.5
130.07764	2.9
131.08571	21.0
133.06535	2.5
133.10135	36.4
135.08110	14.2
135.11697	63.2
137.05994	2.7
137.09615	5.5
139.07578	2.4
142.07787	4.9
143.08553	14.6
144.09317	3.2
145.04979	2.4
145.06477	3.2
145.10144	30.7
147.04453	3.9
147.08049	8.8
147.11710	24.2
149.05949	5.9
149.09657	9.4
149.13248	9.5
151.07574	3.8
153.01767	2.1
155.08577	5.3
156.09315	6.5
157.10135	16.6
159.02956	4.4
159.08049	7.6
159.11703	23.1
160.08968	2.4
161.09651	23.9
161.13219	10.1
163.03918	3.9
163.07579	2.4
163.11206	3.4
165.07025	3.9
165.09167	4.2
168.09402	2.3
168.91035	2.1
169.10133	8.5
171.11699	12.1
172.08942	2.1
173.09631	13.2
173.13239	16.0
175.07578	4.6
175.11211	7.5
175.14830	12.8
177.12761	2.7
181.10158	3.5
182.10556	2.2
183.08029	4.1
183.11674	8.3
185.09718	4.5
185.13231	8.5
187.11201	5.8
187.14827	9.3
189.09055	2.2
189.12732	2.8
189.16365	27.6
191.10657	3.5
194.10875	2.8
195.11713	3.1
197.09599	3.3
197.13248	4.6
199.11232	3.4
199.14848	10.8
201.12744	6.8
201.16364	11.1
203.14313	2.6
207.11557	2.4
209.09729	2.3
209.13303	4.1
211.11171	3.1
211.14795	7.2
213.04054	2.6
213.12761	2.6
213.16309	6.1
215.10738	4.6
215.14323	9.1
217.15843	18.5
221.13326	2.1
223.11235	2.9
225.12743	3.6
229.15912	5.6
235.17120	3.2
239.14349	3.9
241.15860	6.0
243.13786	4.3
255.17540	2.1
259.16913	7.2
278.93625	2.1
283.16858	3.6
289.15723	3.2
297.18527	4.0
301.17905	2.7
307.16888	5.7
325.18124	10.6
343.18958	7.5
344.48846	2.7
361.20032	6.1
379.21027	3.6
403.20691	2.0
419.29236	5.3
429.18860	3.3
447.19748	2.3
465.21069	21.5
465.29941	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	465.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.7
55.01880	10.2
55.05514	13.2
57.03435	5.2
60.75469	2.8
61.02932	6.6
65.03945	4.7
67.05514	33.6
67.41880	3.4
67.47165	2.7
68.99797	5.2
69.03432	25.2
69.07071	12.5
69.36421	12.2
69.36857	12.8
71.04998	4.6
79.05496	25.8
81.03423	23.2
81.07063	38.7
83.04995	13.4
83.08620	4.8
85.02922	20.5
87.00828	12.9
90.76922	3.0
91.05486	38.9
93.07053	100.0
95.04981	36.8
95.08613	32.0
97.02904	21.0
97.06551	10.3
99.04472	5.1
103.03990	4.0
103.05460	3.7
105.01910	3.5
105.07040	60.6
107.04961	14.8
107.07873	4.9
107.08599	88.9
109.02894	16.7
109.06538	19.5
109.10168	38.5
111.04409	5.3
111.08095	4.2
115.03975	5.9
117.07032	16.3
119.08593	57.1
121.06529	15.1
121.10190	24.9
123.04440	6.9
125.06005	5.8
127.03931	9.2
128.06227	7.6
129.01881	5.2
129.07008	8.2
130.07785	5.2
131.08588	29.6
133.06485	8.4
133.10161	35.0
134.37404	2.9
135.04459	3.7
135.08092	14.1
135.11705	57.8
137.06030	3.1
137.09666	4.0
137.94987	3.8
141.06985	4.0
142.07800	6.8
143.03418	3.8
143.08594	20.4
144.09319	3.4
145.06487	6.2
145.10149	39.6
147.08080	12.4
147.11720	24.1
149.05997	7.0
149.09613	14.8
149.13303	9.2
151.11220	4.6
155.08549	6.0
155.42976	3.4
156.09334	4.7
157.10187	24.1
159.08072	11.1
159.11703	31.9
161.09656	23.0
161.13322	7.7
163.03960	3.5
163.07492	3.6
163.11176	6.9
165.09113	7.6
167.08524	6.9
167.23598	2.7
168.09297	4.1
169.10167	9.9
170.10957	3.9
171.08084	3.4
171.11732	12.4
173.09656	14.7
173.13286	18.9
175.11229	9.1
175.14838	9.0
177.12782	7.2
177.16356	3.5
179.08562	2.7
183.11734	9.7
184.08888	9.5
185.09610	5.7
185.13278	5.6
187.11259	5.7
187.14890	7.9
189.03941	3.3
189.12856	5.4
189.16386	21.4
191.10773	5.2
195.11755	5.2
197.09656	4.6
197.13303	5.7
198.10547	3.5
199.09689	2.8
199.11159	17.2
199.14848	12.8
201.12759	5.6
201.16444	11.8
203.14348	6.4
205.15926	6.0
207.11908	3.4
211.11246	4.7
211.14896	8.2
213.12819	3.0
213.16451	4.5
215.14311	12.2
217.12320	11.5
217.15923	20.5
223.14871	3.3
225.12701	3.9
227.14445	6.6
229.15953	8.0
237.16563	3.4
241.15889	7.2
245.15353	3.9
245.37735	3.0
259.16971	5.5
263.70529	3.3
271.17120	5.1
279.17249	5.4
283.16992	4.3
285.07675	5.3
297.18607	4.7
301.18079	4.1
307.16879	3.8
325.18030	12.6
343.19110	4.3
361.20151	4.2
447.20142	6.9
465.21277	16.9
465.29892	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	465.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
54.21628	0.4
55.05506	0.5
57.03443	0.8
65.03952	0.7
67.05510	5.0
69.03434	3.0
69.07071	0.5
69.88569	0.5
70.06602	2.5
71.59014	0.6
72.08170	1.4
77.47001	0.5
79.05499	0.9
81.03428	4.3
81.07069	1.4
85.02916	2.6
86.09727	1.5
91.05479	2.7
93.07056	2.0
94.06583	2.7
95.04986	1.2
95.08626	0.7
97.02914	1.9
97.06621	0.5
99.04477	1.3
105.07030	1.4
108.08130	1.3
109.02885	5.1
117.07008	0.8
119.04993	0.6
119.08577	1.1
120.08121	1.4
121.02893	0.8
121.06583	0.5
122.06036	11.8
122.06889	0.9
123.04444	0.7
127.03932	4.0
127.08695	0.7
131.08600	0.6
133.04987	0.5
133.10191	0.5
135.08061	0.5
136.07585	70.5
137.05989	0.6
137.07939	0.9
138.09216	0.9
140.07053	1.9
145.10109	0.7
147.04443	0.6
148.07597	0.6
157.10156	0.8
158.08234	0.7
159.11694	0.8
162.05482	1.2
163.03845	0.8
164.07074	100.0
165.05435	0.8
165.07385	1.4
166.05020	1.9
168.06557	1.0
173.04402	0.5
182.08136	17.2
196.84633	0.4
197.13081	0.5
199.14832	0.7
199.29462	0.4
201.05522	0.7
201.16396	0.5
202.05771	0.5
223.12996	0.4
224.09212	7.0
230.08069	0.6
230.11880	0.5
243.11259	1.8
258.11197	0.8
272.09131	1.6
285.12308	4.3
286.10733	1.6
290.10254	4.8
303.13394	1.7
308.11325	7.7
326.12332	12.6
327.12543	0.5
393.14233	0.8
408.48749	0.6
411.15192	0.6
465.13382	3.6
490.74136	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	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.16307	0.4
54.86824	0.5
57.03416	0.7
58.13671	0.4
60.16234	0.4
61.02930	6.9
65.03943	0.5
65.45892	0.4
68.99778	1.1
69.03423	1.8
69.44497	3.8
73.02915	1.1
81.03403	0.9
81.07037	0.5
84.08142	0.6
85.02916	6.3
86.09723	0.5
91.03978	3.2
95.04949	0.6
97.02908	3.2
105.29800	0.4
109.02868	1.3
111.00793	1.5
121.02824	1.2
127.03913	1.6
128.07086	0.7
137.02342	4.0
141.54999	0.4
145.04945	0.7
153.01828	5.2
163.03876	0.8
165.01843	1.8
173.05974	0.7
183.02945	1.0
191.03368	0.4
201.05505	2.0
229.04988	4.3
247.06079	0.7
257.04401	3.0
274.04712	0.9
285.03976	1.7
287.05557	3.0
288.05841	2.7
289.05991	3.9
289.51678	0.6
303.05011	100.0
304.05191	2.3
320.15048	0.4
434.28494	0.5
465.18646	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	464.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
57.03441	0.5
62.17649	0.5
65.03944	3.9
69.03442	3.1
70.06599	1.1
70.74834	0.9
70.75202	0.9
71.04987	0.8
81.03419	7.5
85.02908	4.3
87.04485	0.5
91.05486	4.6
93.03401	1.5
93.07055	0.7
95.04970	7.8
97.02903	5.7
99.04453	1.5
106.02908	1.7
107.04959	5.6
108.59906	0.4
109.02893	4.4
111.04445	2.4
119.04208	0.6
119.04967	6.3
120.04494	3.8
121.02875	100.0
121.06480	1.1
121.10147	0.5
122.03223	1.5
123.04443	12.2
123.15977	0.4
124.03969	1.9
125.04723	1.3
127.03911	3.2
133.06589	0.4
136.07588	18.6
139.03906	12.6
145.04994	0.8
147.04417	4.6
148.03970	1.0
148.07617	0.6
159.74069	0.5
165.05481	17.0
166.05009	8.7
178.08653	1.0
180.11894	0.4
182.08142	23.0
184.06166	0.5
196.37161	0.4
224.09232	1.7
244.09865	0.5
250.07062	0.6
265.07117	10.2
268.08246	1.0
272.09177	1.0
283.08130	3.8
290.10257	1.6
301.10727	1.1
316.49417	0.5
410.12299	0.8
428.13449	0.7
446.14499	0.6
464.16180	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	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
57.03436	2.2
66.48599	1.0
67.05499	2.4
69.03425	4.8
69.58434	7.9
70.06601	22.2
79.05498	5.9
81.03423	17.2
81.07077	1.6
81.32538	1.5
83.04986	4.7
85.02896	4.9
88.58826	1.2
91.05483	13.5
93.07043	9.8
95.04960	3.7
97.02891	6.8
98.20686	1.3
99.04482	2.5
100.57165	1.2
103.05487	1.8
105.07035	2.2
107.04966	3.0
107.08612	7.2
109.02905	5.8
112.07605	3.3
115.05460	2.3
117.07022	100.0
118.54761	1.4
119.08575	8.9
121.06496	6.8
121.10153	2.8
122.05993	2.4
123.04379	1.5
125.06012	2.3
127.03905	7.1
131.04939	1.6
131.08563	13.7
133.06549	1.4
133.10201	1.8
135.08061	15.9
136.07561	12.4
145.04948	1.5
145.06445	1.9
149.09612	11.3
153.05516	2.8
153.35037	1.4
156.22464	1.2
159.08060	8.8
161.06004	2.6
163.07553	22.5
163.11368	1.2
164.07037	14.2
174.61674	1.2
177.09117	27.2
181.08556	2.4
182.08099	2.7
187.07587	1.9
195.10178	25.1
196.10451	1.2
201.05444	3.5
205.08629	13.2
223.09641	22.2
224.09232	1.9
225.07571	1.8
227.12802	2.9
241.10706	47.2
267.84641	1.2
274.12875	2.0
285.12393	1.7
312.55649	1.2
331.11731	2.5
349.12839	5.1
365.68579	1.2
367.13995	9.3
385.14880	5.0
420.26199	1.6
434.86398	1.8
464.21982	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	464.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23061	0.6
52.42554	0.6
53.03936	1.9
53.30645	0.6
55.05516	0.7
57.03466	0.7
65.03953	1.5
67.05502	0.8
69.03420	4.4
70.06581	1.3
71.59889	0.9
73.43993	0.8
81.03428	10.4
85.02913	4.3
85.23707	0.6
91.05479	1.2
93.07039	0.9
95.04986	5.5
97.02914	6.7
98.52461	0.6
99.04463	1.0
105.07070	1.0
107.08616	0.8
109.02895	4.2
111.04456	1.8
113.85294	0.6
114.19233	0.6
119.04882	0.8
121.02877	100.0
122.03178	0.7
127.03921	2.7
131.04898	1.9
137.06032	0.7
139.03912	17.2
145.04971	1.1
147.04393	2.5
163.03873	0.7
181.06441	1.0
226.13399	0.7
249.11275	0.9
256.09756	1.1
264.67700	0.7
265.07086	15.8
269.07968	1.1
271.06110	1.0
276.86380	0.7
283.08133	13.8
284.09082	0.8
287.05310	0.8
288.05829	1.6
301.07355	1.3
301.10641	8.2
302.07443	1.8
329.10217	1.9
357.91974	0.6
464.17514	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	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.4
57.06826	2.2
57.07080	28.3
67.05511	7.3
69.07072	21.5
71.03861	3.1
71.08644	23.0
79.05489	5.4
81.07059	18.4
83.08624	14.7
85.10198	11.4
91.05483	3.9
91.22034	1.5
93.07059	6.5
95.04948	1.4
95.08608	14.9
95.28018	1.3
97.02911	2.0
97.06519	2.6
97.10188	8.9
99.04454	4.0
105.07040	7.3
107.04940	2.2
107.08589	5.1
109.06525	13.8
109.10133	7.4
111.08073	1.8
111.11709	4.9
119.08597	3.8
121.10132	4.5
123.08073	13.6
123.11690	2.9
125.06005	12.4
125.09605	1.9
127.06620	2.3
127.07567	43.0
133.10110	3.2
135.08034	2.4
135.11737	2.8
137.05969	2.8
137.09625	3.6
139.07544	100.0
145.10092	1.5
147.11676	1.9
149.05977	3.3
149.09610	1.9
149.13249	2.6
151.07524	4.8
158.90770	1.5
159.11702	1.5
163.07579	2.2
165.09035	2.4
167.07059	5.4
175.11211	1.6
177.07825	1.5
177.09149	13.2
179.10727	2.2
191.10652	1.4
201.16393	1.4
203.14352	2.1
210.57767	1.5
233.15485	1.4
235.49101	1.5
245.29761	1.4
284.79108	1.4
301.29077	3.1
319.30084	11.1
347.33112	16.0
373.31000	4.9
399.36249	3.7
403.35864	2.2
417.37329	15.9
433.28299	1.3
445.36789	40.6
446.37167	1.6
463.37936	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	463.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
53.69225	3.9
55.05295	3.9
55.05518	46.7
57.06819	4.3
57.07082	70.0
67.05505	25.1
67.50701	3.5
69.03436	3.6
69.07073	100.0
71.04547	5.4
71.04907	4.3
71.08636	55.6
77.28496	3.2
79.05486	23.1
81.07063	58.2
83.08621	61.9
85.10194	30.5
89.95299	2.9
91.05466	18.5
93.07056	42.1
95.04973	5.6
95.08617	46.3
97.06561	4.4
97.10188	47.6
105.07040	49.2
107.08598	69.4
109.06535	32.0
109.10174	38.4
111.08105	20.6
111.11722	32.1
117.07079	5.8
119.08596	44.3
121.06512	8.0
121.10147	22.6
123.08066	24.4
123.11713	15.0
125.06054	8.0
125.13283	14.7
127.07478	4.9
129.06982	5.5
130.20964	3.4
131.08566	13.1
133.06485	3.7
133.10139	36.8
135.08073	47.3
135.11684	18.6
137.06004	6.3
137.09673	8.7
137.13258	9.4
143.08553	7.8
145.10120	10.6
147.08086	10.9
147.11681	30.9
149.09656	17.5
149.13240	6.9
151.07538	14.9
151.11250	4.5
157.10109	7.9
159.11674	14.4
160.12419	4.2
161.09610	15.0
161.13271	38.4
163.11176	7.2
163.14864	9.0
165.09138	6.2
167.07051	9.4
171.11693	10.9
173.13297	8.5
175.07603	5.4
175.11197	13.8
175.14880	9.6
177.09131	15.6
177.12741	7.0
179.07056	5.3
179.10681	6.1
181.08601	25.7
181.12149	3.6
185.13272	9.1
187.14819	5.2
189.12799	18.2
189.16342	7.1
191.14302	7.4
192.29198	3.6
193.08664	9.3
203.14343	14.7
203.17992	4.6
205.12161	6.6
217.12218	6.8
217.15947	7.2
217.19531	4.7
218.80397	3.4
221.11649	5.5
221.15298	4.1
231.13828	9.2
235.13261	8.6
237.14825	6.0
245.15402	5.0
245.19019	5.0
249.14867	11.0
251.16328	3.8
259.16855	5.8
259.20532	4.9
259.66144	4.0
263.16464	7.8
273.18408	6.3
277.17935	8.0
279.19745	3.7
287.20303	6.3
291.19571	9.5
301.21545	8.3
305.21036	15.2
307.30048	6.9
315.23163	3.6
317.28317	9.0
319.22733	13.3
333.24182	11.6
347.25806	11.5
357.35239	47.8
361.27417	4.0
371.29395	3.7
375.28696	7.4
375.36060	17.1
385.34607	11.1
389.30698	6.5
399.36234	35.3
403.35895	6.9
409.34286	4.3
417.37183	21.4
427.35834	43.3
445.36746	72.8
449.57254	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	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05515	14.4
57.06824	2.8
57.07077	36.9
66.92895	1.9
67.05489	6.7
69.07072	23.6
71.04099	3.9
71.08639	23.3
73.12537	1.8
79.05507	4.0
81.07059	20.3
83.08620	15.8
85.09774	1.6
85.10194	14.5
91.05468	3.5
93.07053	8.8
95.04955	1.7
95.08613	16.8
97.02908	1.7
97.06535	4.1
97.10154	7.9
99.04457	5.0
105.07025	5.0
107.08587	7.6
109.06520	11.8
109.10177	8.3
111.08073	4.2
111.11729	4.1
119.08572	6.0
121.10145	6.0
123.08072	14.2
125.06008	17.1
125.09602	2.1
125.13232	2.3
127.06622	2.5
127.07558	42.5
129.86977	1.8
131.08556	2.3
133.10165	4.0
135.08067	3.4
135.11725	2.8
137.05995	8.1
137.09621	5.2
139.07547	100.0
145.10117	2.2
149.05998	4.9
149.09579	2.8
151.07564	8.1
153.09154	2.6
159.11728	2.1
161.13275	2.9
165.09093	2.5
167.07014	6.2
173.09697	1.8
173.13358	1.9
175.14798	1.8
177.09171	11.8
179.10669	3.2
188.82553	2.2
189.12817	1.9
207.13817	3.2
221.15634	2.4
243.11121	1.8
245.66837	1.7
249.14809	2.5
270.10892	1.6
275.67563	1.8
301.28885	7.1
303.56699	2.0
319.29980	10.6
347.33176	13.9
373.30972	5.8
399.36325	3.0
403.35767	4.0
417.37204	18.1
427.35684	4.5
445.36865	55.8
463.37906	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	463.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97388	0.1
51.58651	0.1
53.03942	0.1
61.02902	0.2
67.01851	0.4
68.99793	0.3
69.03392	0.4
70.06574	0.2
70.17320	0.4
71.09848	0.1
77.20054	0.1
79.05495	0.1
81.03399	0.2
85.02905	0.8
86.09724	0.1
91.05460	0.4
93.07024	0.2
97.02875	0.5
99.04489	0.2
107.04925	0.1
109.02891	0.2
119.04946	2.0
121.02865	0.8
123.04408	0.1
127.03912	0.2
129.01784	0.2
135.04433	0.2
137.05934	0.1
145.02861	0.5
153.01833	5.1
163.03893	0.5
168.00545	0.2
171.02863	0.4
187.03966	0.2
203.07071	0.2
225.05466	0.2
229.04944	0.5
229.07043	0.1
243.06555	0.3
255.11185	0.2
258.05295	4.1
271.06018	100.0
272.06363	2.6
286.04727	9.7
287.02197	0.1
287.05496	5.5
301.07077	26.6
302.07309	0.5
419.42456	0.1
463.08856	2.4
463.20840	0.1
464.08917	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	463.1236
Annotation	Tectoridin
Peak:m/z	Relative Intensity
58.41551	0.4
67.01859	0.6
68.99796	0.4
69.03421	0.6
69.79498	1.9
72.59200	0.4
81.03413	0.5
85.02931	1.8
91.05486	0.7
97.02856	0.6
107.00650	0.4
119.04947	1.8
125.40762	0.3
145.02924	0.4
153.01839	5.5
177.16083	0.3
194.19183	0.4
229.04947	0.4
258.05258	8.8
271.06027	100.0
272.06360	2.5
286.04724	16.8
287.05496	4.5
301.07086	53.5
302.07437	1.5
463.08688	3.0
473.46677	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	462.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.6
57.03420	0.8
59.45084	0.6
61.02945	0.7
69.03432	2.3
70.06588	1.4
70.77041	1.3
72.08156	1.3
73.06544	1.0
81.03429	1.6
83.93663	0.7
85.02900	7.3
86.09701	2.7
87.04468	2.3
89.06036	96.2
90.06390	0.7
97.02910	2.3
98.21503	0.8
107.07073	2.8
108.24326	0.7
127.03947	1.3
133.06508	1.6
133.08614	48.8
136.06215	1.0
147.04419	1.3
163.03899	1.6
177.11232	18.5
178.84526	0.6
195.12289	4.5
221.13922	1.4
235.39336	0.6
239.14952	2.5
283.17526	100.0
284.17764	2.1
325.17676	0.7
333.58325	0.7
462.19128	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	463.0873
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
67.01853	0.5
68.99793	0.5
69.43805	1.3
117.03355	0.2
135.04431	1.9
136.55679	0.2
137.02390	0.3
143.66374	0.2
152.99643	0.2
153.01833	4.7
153.02995	0.4
161.02379	0.6
171.02896	0.4
180.71805	0.2
241.05029	0.6
269.04401	0.4
287.05511	100.0
288.05869	2.1
391.66614	0.2
463.08734	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	462.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	17.2
55.78298	3.5
57.03447	25.0
58.50127	3.4
60.04517	3.5
61.02914	7.5
67.05505	10.6
68.99782	12.6
69.03436	49.2
69.07073	7.0
70.03745	3.4
71.01337	5.5
71.05004	5.7
71.58451	4.1
71.58903	4.5
73.02911	8.7
76.04024	5.2
79.05499	14.2
81.03424	7.1
81.07066	17.1
82.07378	3.5
83.05016	5.4
85.02912	66.1
86.09715	4.4
87.00838	97.8
91.05490	12.6
93.07050	13.9
94.07433	4.6
95.01339	16.8
95.08607	20.3
96.08944	6.3
97.02899	100.0
97.06512	5.9
100.11288	9.5
101.02352	10.1
103.03944	12.0
103.05478	20.3
104.06241	4.7
105.01871	63.9
105.07044	17.5
106.07349	4.2
107.04941	18.6
107.08603	5.8
108.08932	7.4
109.02843	4.6
109.10157	34.1
110.10493	21.6
111.04490	4.4
113.02374	80.5
115.03942	8.3
115.05461	5.9
117.01880	7.9
117.07027	11.5
119.08598	10.3
120.08950	9.0
121.06531	8.2
121.10126	5.5
123.00802	4.0
123.08063	7.5
124.05233	8.7
127.03969	6.6
129.01868	6.8
129.06999	5.8
131.03406	10.9
131.04959	16.6
133.06468	10.7
133.10127	11.9
133.57014	4.0
134.10484	5.0
135.04543	3.7
135.08076	8.3
135.11725	41.2
136.12035	27.6
137.05978	11.2
137.09596	5.3
137.12413	4.5
138.09955	6.8
140.10730	9.6
141.01825	57.7
145.06474	13.9
147.04349	4.2
149.06007	7.1
149.09612	4.0
150.06851	4.5
150.85597	3.5
159.02917	57.9
160.05222	4.1
162.06812	5.1
163.03854	4.1
163.07561	47.9
164.08369	21.5
165.09120	26.6
171.08112	4.3
174.06874	4.3
175.07570	9.1
175.14830	11.0
176.15186	13.0
177.03992	7.6
177.09137	32.5
181.06575	4.8
182.15436	4.2
187.07568	6.2
189.09149	4.7
190.06273	6.5
191.07054	7.3
193.15913	14.4
194.16206	18.2
195.16602	7.1
196.14098	4.5
199.07687	7.5
201.05511	6.4
203.07008	8.5
205.08582	27.6
211.16963	8.0
212.17273	15.5
214.17767	4.6
215.07034	7.1
217.03471	25.5
217.08693	9.0
229.48813	4.0
231.06502	17.2
231.10144	4.9
233.08156	12.9
241.08621	7.3
243.10210	9.4
245.02943	35.9
245.08308	4.1
251.09181	25.1
259.09729	13.2
263.03937	25.0
263.09314	3.4
269.08218	15.9
287.05826	6.6
287.09143	38.8
305.10284	7.2
323.11279	17.1
373.09198	9.1
391.10135	26.9
409.11121	13.5
444.15219	6.7
481.75888	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	462.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
54.90744	0.7
55.05509	0.7
57.03431	1.2
60.00885	0.7
61.02918	1.9
64.21942	0.8
67.05513	0.8
69.03117	1.0
69.03433	9.9
70.02938	2.5
70.06582	1.8
71.04994	0.7
71.57887	0.9
73.02913	1.3
74.00669	4.3
74.78071	0.7
79.05471	0.7
81.03423	4.2
85.02426	1.0
85.02911	16.2
87.04468	1.4
88.04000	52.8
91.05475	2.8
93.03404	3.7
97.02903	6.8
99.04440	1.3
103.05512	1.5
106.04189	0.8
107.04925	1.0
109.02865	2.1
115.44079	0.6
117.03378	1.5
118.04147	0.9
119.04914	2.3
120.01167	5.2
123.02669	3.8
127.03910	3.7
131.04959	1.6
132.05739	2.0
133.01129	0.9
137.04240	1.1
145.04985	2.1
146.03650	18.2
147.04401	4.6
149.06010	7.4
151.02153	13.7
160.05176	1.2
163.03934	4.9
165.03734	1.9
177.05482	9.7
178.06270	53.6
179.01634	42.0
179.06882	2.5
181.03140	3.5
193.03157	3.6
196.01923	2.1
209.02664	1.3
211.04256	100.0
212.04712	1.8
213.05829	4.7
254.08388	1.0
283.06454	1.8
300.09045	35.8
300.12198	2.2
373.09506	3.7
462.14276	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	461.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.83055	0.3
55.05512	1.2
57.03441	0.5
57.07061	0.4
67.05503	4.7
69.03429	0.7
69.07086	1.5
71.08617	0.3
72.08138	0.6
75.08266	0.3
79.05490	1.7
81.03426	1.6
81.07061	3.6
83.04983	0.6
83.08611	1.7
85.02909	1.1
87.00862	0.4
91.05483	1.9
93.07048	2.1
95.04945	0.5
95.08604	4.8
97.02894	0.5
97.06516	0.6
103.05462	0.4
105.07039	1.4
107.04960	0.7
107.08567	1.8
109.02885	0.8
109.06568	0.4
109.10174	5.3
111.08073	0.4
116.40408	0.3
119.08585	3.6
120.08073	0.8
121.06512	0.4
121.10143	1.0
122.07318	2.0
123.04471	0.4
123.11714	1.1
127.03916	1.4
130.06540	0.6
131.08568	1.0
133.06451	0.3
133.10103	0.8
135.08047	0.6
135.11732	0.6
137.09625	12.5
137.13240	0.6
145.10086	0.5
147.11671	0.3
149.09625	0.8
149.13283	2.0
159.08073	0.4
163.03966	0.4
163.14853	0.5
165.09125	100.0
166.09413	1.8
167.14322	1.1
175.11284	0.4
185.13278	0.4
185.15500	0.5
189.12785	0.4
197.10129	0.4
205.12276	2.2
223.13397	0.4
242.06081	0.4
285.07590	3.7
291.26843	0.7
309.27896	2.9
369.24295	0.4
421.15851	0.4
425.34247	0.5
443.35043	1.4
461.28888	0.4
461.36475	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	461.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01872	1.9
55.05261	1.1
55.05518	21.1
57.03427	3.5
57.07084	1.4
59.04997	4.5
65.03931	4.6
67.05511	100.0
69.03406	1.2
69.07071	8.4
69.39734	4.7
69.40150	3.7
71.04985	3.7
76.31355	1.1
76.39600	0.9
79.05499	42.2
81.03435	2.5
81.07064	41.4
83.04980	2.6
83.08618	9.9
85.06543	4.6
88.21901	0.9
91.05488	28.5
93.06463	1.9
93.07055	37.9
94.08504	0.9
95.04990	6.1
95.08617	21.9
95.09224	1.2
96.05771	1.1
97.06547	3.4
97.10159	3.4
98.20769	1.7
99.08112	2.2
105.04525	1.9
105.07046	19.6
107.08607	17.9
109.06493	1.2
109.10172	61.7
111.08095	3.9
117.07041	9.6
119.08593	26.3
121.10148	27.4
123.08035	1.3
123.11758	1.9
125.09613	2.6
129.07014	5.7
129.43059	1.0
131.08572	15.1
133.10146	15.3
135.08118	1.6
135.11693	9.0
137.09637	4.1
139.11130	1.8
143.08588	4.1
145.10150	14.4
147.08017	1.3
147.11705	9.7
149.09625	1.7
149.13257	3.0
151.11156	1.1
155.08578	3.0
155.10704	3.0
157.10162	6.7
159.11713	10.8
161.09718	1.4
161.13281	3.5
163.11212	1.4
167.10780	2.1
169.10147	4.6
171.11726	4.6
173.09586	1.4
173.11761	17.5
173.13278	7.1
175.11241	1.0
183.11722	4.3
185.13300	4.0
187.14879	4.2
189.16519	1.2
197.13290	2.8
199.14917	3.0
208.85640	1.0
211.14940	2.0
213.16385	3.1
215.14447	1.5
215.17944	3.9
217.19458	1.1
223.14912	1.3
225.16412	1.3
229.14435	4.6
229.19606	1.3
233.15413	1.3
233.18985	2.7
239.18007	1.5
241.19331	1.0
243.17395	1.4
257.19070	1.7
271.20490	1.8
289.21759	1.3
349.23798	1.3
351.26740	6.9
363.25388	2.8
369.28003	10.8
387.29031	1.9
428.50598	1.3
443.31708	7.6
461.32697	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.2
55.01864	9.1
55.05511	19.5
57.03452	13.7
57.07078	3.4
65.03937	3.8
65.87643	2.6
67.05512	55.7
69.03435	14.8
69.07069	21.8
70.76866	7.7
71.05008	7.4
72.80226	2.3
73.02887	3.0
79.05491	48.6
81.03423	25.5
81.07059	55.4
83.04984	10.9
83.08617	9.2
85.02889	3.4
85.06546	4.5
91.05482	47.6
93.07047	48.3
95.01321	11.1
95.04981	15.7
95.08621	38.8
97.02910	17.9
97.06539	6.5
97.10178	5.0
99.04476	6.6
105.07043	34.2
107.04974	8.8
107.08611	25.0
109.02882	6.9
109.06535	6.4
109.10151	20.2
111.04439	4.5
115.05494	4.6
117.07031	22.7
118.49834	3.2
119.08585	32.5
121.06493	6.2
121.10148	18.0
123.04436	8.4
123.08084	4.9
128.06229	8.6
129.07018	21.3
129.31779	2.6
131.04935	3.9
131.08582	31.3
133.06512	8.9
133.10144	18.2
135.04408	3.6
135.08041	7.3
135.11699	13.4
137.05989	4.0
137.09631	4.8
141.07022	7.6
142.07751	5.5
143.08575	26.9
145.06500	7.3
145.10176	21.0
147.04347	2.7
147.08067	8.2
147.11688	14.7
149.05997	3.8
149.09619	6.1
149.13281	6.0
151.07613	6.7
155.08496	13.6
157.06531	4.1
157.10126	14.1
158.07401	2.6
159.08084	10.5
159.11705	17.9
161.05991	6.9
161.09630	4.3
161.13280	10.3
163.07614	3.0
163.11172	4.5
165.06934	2.9
165.09184	6.3
167.08592	7.7
169.10155	11.6
171.08102	7.6
171.11659	13.7
171.95476	2.7
173.09666	5.5
173.13264	8.1
175.07555	4.6
175.11118	3.6
179.08669	4.0
181.10185	6.5
183.06566	3.6
183.08093	4.3
183.11697	10.2
185.09615	8.1
185.13326	8.2
187.11241	3.3
187.14983	4.4
189.09134	3.6
189.12691	3.8
189.16402	2.9
191.10709	3.4
193.10117	3.4
195.11769	6.3
197.09676	5.8
197.13306	5.1
199.11273	6.6
199.14832	3.9
201.12811	3.7
209.13268	3.4
211.11247	4.2
211.14885	4.3
213.12762	6.3
215.14436	4.4
217.12265	3.9
223.14798	3.2
225.12694	4.7
227.14391	3.2
229.12369	3.4
239.14304	5.4
241.19450	4.6
259.20703	4.0
285.07620	5.3
313.17981	3.5
323.23694	5.5
325.21777	3.1
327.23129	6.5
335.25751	15.4
341.24811	8.6
351.23251	17.5
369.24283	37.4
387.25366	9.9
425.27188	5.3
443.27914	42.1
461.29050	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05515	7.0
57.03416	1.9
57.07072	1.5
61.02924	1.9
65.03935	2.0
67.05503	10.5
68.99776	1.3
69.03437	11.6
69.07076	6.7
69.65481	4.7
69.65878	3.0
71.05007	2.3
78.10722	1.1
79.05486	4.3
81.03410	6.1
81.07061	24.4
82.77084	1.3
83.08617	7.7
85.02905	18.1
85.06553	6.9
87.00843	8.4
91.05476	3.3
92.56922	1.1
93.07050	8.3
95.04990	1.6
95.08607	39.2
97.02895	7.2
97.10162	4.1
99.04453	2.4
99.08076	3.8
105.01853	7.8
105.07036	3.6
107.04924	1.5
107.08592	10.6
109.02866	4.3
109.10165	31.3
111.11720	2.4
119.08601	2.5
121.02848	4.0
121.10154	16.4
122.06051	1.8
123.11700	12.6
125.09693	1.5
127.03912	7.3
135.11681	5.4
137.09612	4.3
137.13284	2.0
139.03880	1.2
145.04942	3.7
148.03923	7.7
151.07558	2.2
153.12764	1.8
159.02904	2.0
165.09129	27.2
165.16397	14.9
166.04987	2.9
175.14877	1.9
177.16399	45.5
179.03389	5.4
183.17439	27.7
195.17491	8.2
201.12961	1.5
213.18506	28.0
216.52844	1.2
231.04973	2.2
238.94553	1.4
242.05756	13.1
243.08778	1.7
255.11307	1.3
270.05249	10.4
271.05984	3.8
272.06189	1.4
283.10748	5.1
285.07584	100.0
286.07898	4.5
287.08191	2.3
369.10803	2.6
377.14551	2.7
387.11981	5.2
434.49081	1.1
461.10690	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19815	2.1
53.03947	2.2
55.05508	15.1
55.22538	2.0
57.03431	3.6
57.07077	2.5
64.74250	1.8
67.05509	23.5
67.62391	2.1
68.99815	2.2
69.03445	12.9
69.07066	18.9
69.45237	4.3
69.45639	12.2
71.05007	3.2
79.05502	11.5
81.03427	9.6
81.07065	51.2
83.08621	15.4
85.02916	15.3
85.06552	8.1
87.00824	7.0
88.14210	1.9
89.31927	2.1
91.05486	5.6
93.07041	19.1
95.04969	3.5
95.08611	97.1
97.02895	6.9
97.10190	8.9
98.20699	4.5
99.04450	3.4
99.08111	13.0
103.87317	2.1
105.01860	6.2
105.07043	4.0
107.08607	29.4
108.08152	1.9
109.02884	4.4
109.10159	88.0
111.08076	3.7
111.11720	2.6
113.09615	2.7
119.08604	4.1
121.10155	36.7
123.11716	38.7
125.13292	2.8
127.03929	10.2
130.06551	10.1
133.10092	2.9
135.11697	12.4
137.13260	5.9
145.04979	4.0
146.05988	3.5
149.13297	5.4
153.12752	5.2
158.66525	2.1
165.09149	8.9
165.16394	51.4
175.14885	3.0
177.16393	95.9
178.16774	2.5
183.17456	78.8
188.07089	2.9
195.17491	15.3
213.18512	100.0
223.16797	2.4
242.05679	3.3
274.10721	2.9
285.07599	22.4
332.11377	4.2
416.86078	2.8
436.69736	2.0
461.17960	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	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45472	2.0
53.03939	5.1
53.18346	2.3
55.01862	6.7
55.05514	13.7
57.03427	3.2
59.04979	3.1
61.02915	4.1
67.05485	2.6
69.03438	22.6
69.07069	25.2
70.42630	2.0
70.72602	6.0
71.04988	5.9
73.02916	2.8
79.05482	7.1
80.62313	2.0
81.03433	16.5
81.07060	16.1
83.08617	9.8
85.02911	38.1
85.06529	7.5
87.00832	13.7
93.07063	14.0
95.08614	34.4
97.02890	16.6
97.06509	2.9
97.10168	8.8
99.04431	6.6
99.08119	17.8
105.01862	11.0
105.07023	3.5
107.08594	30.1
109.02869	16.1
109.10167	12.7
111.08080	6.9
113.09656	6.9
117.01854	2.4
121.10152	47.1
123.11743	5.0
125.09621	6.5
127.03916	27.6
135.11705	9.6
137.13239	8.9
145.04955	9.1
149.13274	6.1
153.12732	5.8
157.02174	2.5
159.02869	8.0
177.16397	100.0
183.01505	2.3
195.17439	46.3
213.18539	32.2
231.04990	7.6
271.05881	3.3
316.05045	2.2
394.54947	2.5
461.23978	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	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	11.2
55.01879	14.6
55.05514	27.3
57.03441	10.8
57.07085	4.8
59.04995	6.6
61.02927	7.0
67.05506	11.0
68.99794	6.7
69.03075	3.8
69.03436	61.4
69.06721	2.7
69.07073	40.1
70.07014	9.1
71.04995	12.7
73.02915	11.4
79.05489	7.2
81.03426	62.2
81.07056	25.9
83.04978	12.9
83.08627	10.2
84.08137	2.2
85.02914	100.0
85.03434	4.8
85.06558	18.0
87.00831	37.1
91.03980	3.2
91.05475	9.1
93.07059	16.6
95.08614	42.7
97.02899	33.4
97.06525	11.5
97.10172	10.9
99.04462	24.4
99.08099	33.3
105.01880	26.2
105.07018	4.4
107.08605	25.1
109.02892	60.2
109.10164	20.5
111.08105	6.0
111.11703	10.2
113.09664	10.6
115.03973	3.7
117.01868	5.5
119.08611	3.2
121.10159	33.2
123.08041	3.6
123.11722	11.6
125.09665	12.3
127.03930	96.9
129.01852	7.3
131.05075	2.5
135.11694	16.7
136.07607	4.0
137.06004	2.0
137.09581	2.5
137.13280	14.0
139.11172	7.2
144.04512	2.4
145.04961	31.3
147.02914	7.1
148.03946	13.2
149.13283	4.5
150.10188	2.0
151.14841	4.9
153.12753	18.9
159.01706	2.7
159.02928	29.7
172.03819	4.3
177.16403	71.4
189.03903	2.5
191.17810	2.4
195.17465	73.5
204.06541	5.2
213.03893	5.6
213.18513	60.2
231.05035	17.6
249.06021	2.5
254.25226	2.3
283.10971	11.0
285.07556	9.5
301.11887	2.5
325.11783	2.3
369.10757	5.8
387.11691	10.6
407.20584	2.6
461.23846	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	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
55.05508	7.3
55.52696	1.1
57.03410	1.3
57.07045	1.2
65.03915	1.4
67.05500	4.7
69.03441	7.1
69.07074	11.7
70.87939	2.4
71.04987	3.5
73.02897	1.2
79.05492	5.0
81.03413	5.0
81.07060	13.0
83.04982	1.2
83.08614	7.7
84.08136	3.0
85.02906	14.2
85.06522	3.9
87.00837	6.0
91.05472	3.3
93.07048	13.1
95.08052	1.8
95.08613	30.1
97.02888	5.8
97.10152	7.5
99.04448	1.5
99.08095	15.2
105.01871	7.3
105.07038	3.9
107.08593	31.5
109.02859	4.0
109.10165	7.9
111.08103	5.6
113.09647	2.1
117.01884	1.0
118.06519	1.2
119.08581	3.4
120.08111	7.0
121.10147	46.5
122.05999	3.8
123.11691	4.6
124.82648	1.2
125.09629	4.2
127.03907	8.2
133.10139	2.0
135.11700	10.9
136.07562	5.4
137.13295	5.6
139.11154	1.1
144.04443	2.9
145.04968	2.7
146.06020	8.8
148.03906	2.7
148.07573	16.1
149.13271	3.5
151.00455	1.1
156.82260	1.1
159.02853	1.5
172.03929	9.0
175.14876	2.1
177.16396	100.0
190.05013	13.8
195.17467	20.1
201.16260	1.3
204.06606	10.3
213.18506	29.7
222.07610	2.8
252.08667	5.9
255.11385	1.4
281.12866	1.6
283.10617	3.2
285.07501	3.3
325.11844	3.9
339.13309	3.5
387.12119	1.9
475.83072	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	461.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08524	0.7
59.34237	0.6
60.72753	0.7
65.03944	9.3
71.14893	1.5
79.05494	1.2
85.02908	1.0
92.05001	3.6
93.07047	1.2
94.06575	3.3
95.08621	1.2
108.08121	4.7
110.90469	0.8
116.04986	2.4
118.06561	1.0
120.04460	6.3
120.08106	4.8
121.10133	1.8
122.06038	13.0
136.07591	17.2
138.05495	1.1
144.04454	5.8
146.06038	2.9
148.03940	100.0
148.07567	14.2
149.04276	1.5
162.05534	4.5
166.05013	22.3
172.03934	22.4
172.11282	0.8
174.05518	2.1
177.16383	2.5
182.09744	1.7
183.09059	0.8
184.10001	1.8
186.09128	0.9
190.04993	8.4
194.08133	0.9
198.11417	1.1
199.12407	1.9
204.06570	36.6
209.10725	0.8
210.09131	1.2
212.09450	1.2
222.07669	1.2
225.10294	0.9
227.11850	5.0
229.13441	1.1
234.07654	1.7
237.10397	0.8
252.08701	3.5
255.11296	22.8
257.12823	1.4
273.12415	1.7
279.11343	0.7
283.10779	76.0
284.11093	2.0
297.12491	1.8
301.11771	7.9
307.10867	1.1
325.11841	10.1
339.13452	9.8
341.11365	0.9
343.12869	1.6
356.74252	0.7
357.14432	1.5
359.12390	1.0
369.10846	33.5
370.11240	1.3
387.11880	59.1
388.12283	1.6
405.12915	1.7
429.12943	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	461.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.0
55.01873	6.3
55.05512	2.1
57.03446	7.2
58.76741	0.9
61.02931	3.0
62.88177	0.9
65.03951	1.4
67.05505	2.9
68.99800	11.3
69.03433	37.9
69.90334	5.0
71.01336	3.0
71.04989	6.7
73.02917	2.8
78.46129	0.9
81.03423	57.3
83.01368	1.7
83.05005	4.5
85.02911	67.7
86.09710	2.2
87.00835	16.6
91.05520	2.0
93.07032	1.0
95.04979	3.2
96.05430	1.0
97.02895	22.4
99.04469	17.3
103.03941	3.7
105.01899	2.6
105.07005	1.6
107.04961	1.7
109.02889	46.3
111.00835	2.5
111.04448	5.7
113.02417	1.6
115.03956	1.1
119.04982	1.8
121.02877	1.3
123.04434	3.5
125.02335	3.5
127.03925	100.0
129.01872	2.9
133.06520	1.3
135.04420	2.6
137.02274	1.4
137.05994	1.8
139.03850	2.4
141.01762	1.0
145.04935	4.5
147.04387	1.0
151.03918	3.9
155.03349	1.4
161.06018	1.1
163.03900	3.0
165.05525	1.0
169.05019	3.2
171.02892	8.2
173.04440	1.6
177.09137	0.9
181.05002	1.4
187.06026	4.0
189.03955	15.6
189.05507	2.2
193.04912	1.8
207.06577	2.2
213.03943	14.7
213.11096	1.0
217.05011	2.3
231.05046	4.9
235.06027	3.3
253.07144	2.6
255.05051	2.5
271.08081	1.5
299.10568	1.5
321.06110	1.4
339.07098	4.5
352.50720	0.9
357.08133	1.7
357.99261	1.0
374.76395	1.0
443.08304	5.0
461.09006	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	461.108
Annotation	Oroxylin A glucoronide
Peak:m/z	Relative Intensity
56.26279	0.1
67.01835	0.1
68.99792	0.1
69.45413	0.5
69.45824	0.2
80.34506	0.1
85.02881	0.1
97.02837	0.1
109.10101	0.1
115.74986	0.1
116.80418	0.1
121.16972	0.1
133.06516	1.1
135.04417	0.2
153.01820	1.2
159.04404	0.1
165.09052	0.1
168.77736	0.1
177.05548	0.1
203.36224	0.1
242.05739	16.8
243.06291	0.2
257.08014	0.1
270.05237	11.9
271.05780	0.3
285.07578	100.0
286.07932	2.2
387.19138	0.1
461.10822	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	460.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25779	0.5
52.89997	0.6
55.05514	8.7
55.40120	0.6
56.05010	0.5
57.05810	1.2
69.03440	1.7
70.22734	0.6
71.57781	0.9
72.08157	100.0
73.02934	0.8
73.08537	0.6
85.02921	4.3
97.02905	1.9
98.97610	0.9
107.64876	0.6
116.89126	0.7
116.98653	0.7
118.08659	73.0
127.03929	2.2
145.05008	2.6
161.02925	0.9
177.00769	0.8
212.87773	0.6
218.10831	0.6
219.01886	0.8
245.05034	0.7
273.58545	0.7
300.37097	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	460.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29900	2.6
53.03953	6.6
55.01875	8.3
55.05509	12.3
57.03429	4.7
57.07050	2.9
60.15436	3.0
61.02919	10.3
61.96983	2.8
67.05505	11.9
69.03436	28.4
69.07059	13.0
70.06602	3.0
71.05000	5.5
71.06391	5.6
73.02920	8.5
79.05502	13.3
79.12392	2.7
81.03426	30.9
81.07066	25.6
83.08627	4.7
85.02914	100.0
87.00842	42.0
91.05489	7.5
93.07058	24.9
95.04963	6.2
95.08617	28.9
96.08954	4.6
97.02900	42.4
97.10178	4.1
99.04478	15.6
99.08107	5.8
105.01880	58.4
105.07043	11.4
106.07372	3.0
107.08607	28.2
109.02895	31.3
109.10162	10.9
112.86820	3.6
116.47198	2.7
117.06998	3.6
119.08624	9.3
121.10159	38.4
123.08075	4.3
123.11713	4.6
127.03929	71.6
129.01871	6.2
131.08565	4.7
133.10089	7.1
135.08067	5.6
135.11697	14.2
145.04976	39.3
145.10191	4.9
159.02921	26.0
159.11723	4.6
161.13237	4.3
165.09167	19.8
166.09482	11.3
171.11674	3.2
173.13220	3.5
175.14827	6.6
177.16411	61.4
185.13403	3.5
187.14868	3.3
195.17456	3.4
199.14827	3.3
201.16389	4.6
205.11995	2.8
219.17439	4.1
231.05054	22.6
249.06044	4.1
267.17352	3.6
285.07526	4.2
285.18527	5.0
442.33823	8.6
458.52673	3.3
460.34283	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	461.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.01860	1.3
55.05510	0.8
57.03444	2.1
61.02920	0.9
67.01851	1.0
67.05479	0.4
68.99798	3.6
69.03431	12.4
70.05631	1.2
71.01336	1.1
71.04987	2.3
73.02920	1.1
81.03420	17.1
83.04979	1.8
85.02906	20.0
87.00836	5.0
91.05463	1.1
95.04974	1.0
97.02905	6.0
99.04462	5.4
103.03941	1.5
105.01849	1.2
105.02588	0.3
109.02885	13.5
109.12565	0.3
111.00813	0.8
111.04447	1.8
113.02391	0.4
115.03947	0.3
119.04957	2.2
121.02859	1.1
123.04423	1.6
125.02351	1.2
127.03924	27.8
129.01822	1.3
129.05562	0.5
135.04390	0.5
137.05917	0.4
139.03918	0.5
145.02908	0.8
145.04942	1.8
147.02870	0.4
147.04370	0.5
151.03912	1.4
153.01852	5.7
155.03366	0.5
159.02930	0.6
163.03908	1.0
165.05492	0.5
165.09149	0.9
169.04948	0.7
171.02931	3.3
173.04543	0.4
181.04968	0.4
187.06029	1.3
189.03954	4.0
189.05455	0.7
193.05038	0.6
211.06015	0.3
213.03947	3.0
217.04929	0.6
231.05028	1.2
235.05994	1.5
253.07095	0.7
255.05048	1.0
265.19049	0.3
271.06018	100.0
272.06403	1.6
297.06046	0.4
321.05832	0.4
339.07187	1.0
357.08200	0.5
425.07178	0.7
443.08041	0.9
461.10052	1.9
480.67493	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	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.6
55.01886	8.6
57.03436	6.0
60.04516	1.1
61.02931	5.8
68.99788	3.1
69.01047	1.1
69.03077	1.7
69.03434	30.8
69.54727	8.1
70.06583	2.0
71.04993	4.8
73.02937	6.3
81.03423	30.1
82.06587	1.4
83.05381	1.0
83.05895	0.9
85.02911	81.2
87.00838	32.5
91.03974	2.4
97.02901	33.8
98.58250	1.1
99.04459	15.6
103.05471	6.3
105.01870	32.4
105.07032	3.1
107.04958	9.9
108.04476	9.9
109.02887	29.3
115.03890	1.5
117.01834	4.1
126.05523	5.9
127.03928	60.3
128.07077	1.8
129.01834	5.3
131.04918	1.7
135.08060	4.6
139.03917	4.6
145.04965	23.4
147.02847	3.9
154.06259	33.6
159.02913	18.2
159.39265	1.2
163.07556	29.0
167.07080	1.7
195.10182	100.0
196.10638	1.7
200.12862	2.3
213.03986	2.3
230.06653	4.2
231.05002	12.7
248.07599	5.1
266.08685	1.9
278.81833	1.4
283.84488	1.3
362.24930	1.2
394.12054	1.1
422.68701	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	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06451	1.3
53.03951	1.8
55.01864	4.0
55.05509	5.5
59.04998	2.3
60.04521	3.0
61.02919	3.4
67.05505	6.4
68.02322	1.5
68.02654	17.1
68.99818	1.7
69.03436	27.5
69.07066	5.4
70.06586	3.4
71.01334	2.2
71.05018	1.5
73.02896	2.0
79.05496	5.3
81.03423	4.4
81.07060	7.3
83.01331	1.9
83.05001	12.4
83.08636	3.7
85.02904	8.9
87.00835	12.0
87.04472	3.4
91.05483	3.5
93.07042	5.5
95.08609	7.1
97.02904	92.5
99.00824	1.9
99.04478	3.0
101.02350	7.0
104.74479	1.2
105.01876	5.2
105.07041	6.4
107.08591	3.1
109.06503	1.9
109.10181	7.3
111.04453	100.0
113.02345	4.5
115.03934	8.8
119.05044	1.3
119.08586	4.6
120.74002	1.2
121.06497	2.2
121.10141	2.2
123.04453	2.5
123.08102	1.6
123.11675	2.2
124.05197	4.1
125.02361	29.0
125.65708	1.3
127.03916	3.7
128.44881	1.6
129.05507	2.7
129.07021	2.0
131.04912	2.5
131.08571	2.8
133.06487	2.8
133.10156	3.1
134.10506	2.4
135.11685	1.4
136.07541	1.5
137.05995	6.9
137.09616	5.2
138.09932	1.4
139.03917	9.4
143.03412	22.9
143.08522	1.7
145.10085	1.8
147.02887	2.0
147.04362	2.2
147.11661	2.1
148.05060	3.1
148.07588	1.5
150.06752	3.1
151.07574	2.2
157.05031	6.7
159.02834	2.4
160.06078	2.4
161.04456	8.2
161.05765	2.3
161.09579	3.4
163.04030	1.7
163.14882	1.8
165.09128	51.3
166.09518	14.1
169.06430	1.9
171.11551	1.8
176.15170	1.4
177.16423	2.5
187.07579	4.9
189.09128	19.4
193.08513	1.7
194.16330	1.9
199.07643	1.7
200.12823	4.0
201.09085	1.7
205.12323	1.7
207.10092	1.6
211.16948	2.0
215.07068	3.4
217.08578	2.9
229.03439	6.5
242.05699	2.6
243.10178	5.2
246.06233	1.8
247.04594	12.6
247.09709	3.3
264.06894	1.7
270.05170	2.9
271.06061	2.9
271.09653	4.2
272.06427	5.0
285.07602	18.3
289.10669	7.2
359.14825	1.3
362.18002	4.7
375.10651	2.6
441.33636	2.3
442.33844	4.6
460.17117	7.9
460.27420	4.8
460.34216	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	459.3471
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
52.82066	0.6
53.03938	1.0
53.24264	0.5
53.96642	0.5
55.05504	1.9
59.04988	0.6
67.05504	5.0
69.03413	0.6
69.07073	2.9
69.09765	0.5
71.58334	0.6
72.08143	0.5
74.09729	0.7
79.05506	4.9
81.03421	1.7
81.07055	6.6
83.04979	0.8
83.08611	1.5
85.06529	0.9
91.05497	5.9
93.07056	4.5
95.05029	0.8
95.08624	9.0
97.10143	0.7
105.07044	5.6
107.04979	0.6
107.08606	7.4
109.06547	1.4
109.10168	5.4
111.08071	1.5
115.05415	1.1
117.07039	1.5
119.08604	6.6
121.06519	1.8
121.10154	5.5
121.94128	0.5
123.08117	0.9
123.11721	1.2
125.09628	0.8
129.07018	1.5
131.08588	3.3
131.89432	0.5
133.06487	1.4
133.10130	5.0
135.08063	99.7
135.11707	2.2
136.08379	1.3
137.09607	2.2
137.13329	0.6
143.08595	1.0
145.10120	5.6
147.08046	6.7
147.11699	3.3
149.08539	1.0
149.09627	10.6
149.13181	1.3
151.07512	0.9
151.11179	1.3
155.08478	0.7
157.10138	2.1
159.08098	1.1
159.11711	4.0
161.09612	4.0
161.13229	1.1
163.11137	0.9
163.14859	0.6
165.09120	14.2
171.08081	0.8
171.11740	1.0
172.08870	0.9
173.09691	1.4
173.13260	2.0
175.11258	1.8
175.14804	0.9
177.12737	0.7
177.16394	1.5
183.11743	1.1
185.09698	0.8
185.13309	2.4
187.11221	2.3
187.14839	2.5
189.12744	0.8
189.16270	0.6
197.56662	0.6
199.11325	0.8
199.14864	1.0
201.12784	1.7
201.16351	0.9
203.14322	8.0
205.12225	0.8
205.15874	2.7
213.02863	0.6
213.12859	1.0
213.16370	0.7
215.14224	0.7
215.18028	0.9
217.15823	2.7
219.17499	0.5
227.14258	0.6
241.15906	0.8
279.17596	0.7
301.30984	0.6
335.23712	0.9
400.16074	0.7
410.45084	0.5
441.33661	100.0
442.34106	5.1
459.27679	1.2
459.34497	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	459.347
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.44276	3.7
55.05504	18.0
57.07089	8.2
67.05510	23.6
67.17782	5.7
69.03427	9.3
69.07065	29.6
70.99045	8.3
70.99390	7.2
79.05496	17.9
79.99673	5.0
81.07053	47.1
83.08615	12.7
91.05476	20.6
93.07059	40.2
95.04990	4.8
95.08614	73.0
97.06547	6.1
104.66631	4.4
105.07043	54.1
107.08601	69.2
109.10162	63.6
117.07014	5.4
119.08595	63.7
121.10132	53.0
123.08040	11.9
123.11701	17.0
125.09615	4.3
131.08554	15.6
133.10150	48.2
135.08060	18.4
135.11694	32.4
137.09631	8.0
143.08607	7.0
145.10152	29.4
147.08040	5.1
147.11722	37.2
149.09631	7.6
149.13278	16.3
157.10147	12.1
159.11662	28.6
161.09645	9.0
161.13303	28.8
163.11229	23.8
163.14848	20.0
165.09125	18.6
169.10175	5.7
171.11688	10.4
173.13264	19.6
175.11223	8.8
175.14836	48.7
177.12837	6.3
177.16406	24.8
183.11734	5.3
185.13242	10.5
187.14839	25.2
189.16362	28.7
191.14307	5.8
199.14851	14.2
201.16388	8.8
203.14395	23.4
205.15904	100.0
207.17422	11.3
211.14725	4.7
215.18092	4.6
217.15802	23.7
219.17560	6.0
221.15425	10.4
223.16867	7.1
225.16504	5.8
231.17398	5.0
233.83244	4.8
235.16969	28.5
255.96008	4.4
285.18533	4.6
313.25195	4.8
327.23236	11.6
341.25000	5.3
359.25568	6.3
377.26724	12.3
395.33240	5.5
405.31406	11.4
423.32404	31.4
441.33737	38.1
459.34769	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	459.347
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.05502	13.6
56.31120	3.3
57.07077	4.2
58.97267	3.7
67.05516	21.3
69.07070	26.2
69.71549	3.1
79.05488	15.3
81.07066	40.9
83.04964	5.0
83.08624	10.0
88.61581	3.8
90.28224	3.4
91.05475	16.8
93.07045	39.7
95.04973	4.6
95.08617	78.2
105.07034	41.2
106.22787	4.0
107.08597	67.0
109.06515	6.5
109.10167	86.2
116.40883	3.5
117.07040	6.0
119.07780	6.5
119.08578	75.7
121.06527	6.0
121.10145	72.3
123.08042	8.4
123.11694	12.9
131.08563	13.7
133.10146	61.3
135.08057	13.4
135.11705	26.3
143.08578	6.7
145.10139	36.5
147.08046	8.3
147.11682	42.7
149.09612	5.7
149.13255	16.9
151.11212	8.4
153.09074	4.4
157.10133	9.2
159.11682	29.2
161.09663	7.7
161.13280	37.4
163.11189	13.7
163.14861	22.3
165.09178	6.5
167.10629	4.1
169.10051	5.2
170.10774	4.7
171.11728	11.2
173.13231	23.7
175.11203	9.5
175.14833	64.4
177.12724	6.3
177.16414	33.6
179.10738	5.2
185.13251	13.0
187.14845	33.9
189.16402	33.9
191.14287	6.2
191.17888	4.9
193.12332	3.9
199.14818	10.9
201.16476	8.0
203.14285	23.8
205.15897	100.0
207.17387	4.5
213.16367	10.0
215.17992	5.4
217.15826	30.9
219.17513	5.2
221.15303	8.4
223.16896	27.1
227.17970	5.6
231.17500	4.3
235.16928	48.3
249.08725	4.8
255.21068	3.9
292.93054	4.5
341.24890	5.3
345.24396	6.2
405.31213	12.1
423.32626	26.8
426.11212	4.6
441.33722	22.0
444.82495	4.4
459.34433	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	459.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79920	0.8
53.03937	1.4
55.05515	6.0
57.07058	1.4
59.04988	1.4
65.03952	1.2
67.05508	6.4
69.03421	1.2
69.07082	5.4
72.68848	0.9
75.06979	0.9
79.05489	3.9
81.07067	14.4
83.08609	4.1
87.71594	1.1
91.05481	6.4
93.07063	10.8
95.04993	1.1
95.08612	16.8
97.06544	1.1
105.07042	13.6
107.08607	17.6
109.06536	1.6
109.09454	1.5
109.10163	20.9
111.08091	2.1
115.05482	1.3
117.07016	3.0
119.08586	23.7
121.06499	4.3
121.10153	14.8
123.08075	2.2
123.11726	6.7
125.09633	1.7
129.06984	1.1
131.08600	5.5
133.06477	3.6
133.10136	19.8
133.11087	0.8
135.08058	9.6
135.11694	7.3
137.09612	2.3
137.13260	1.2
139.11243	1.2
143.08557	4.2
145.10141	9.8
146.07303	1.3
147.06885	1.8
147.08046	19.8
147.11705	8.2
149.09621	4.4
149.13300	4.8
151.11212	3.3
155.08469	1.0
156.09282	1.0
157.10097	4.7
159.08022	1.6
159.11697	11.0
161.09644	12.6
161.13251	6.4
163.11200	2.2
163.14847	4.4
171.11705	3.8
173.09633	3.0
173.13290	7.4
174.10497	1.3
175.11241	10.9
175.14821	5.6
177.12762	4.1
177.16402	4.7
179.14311	1.6
183.11766	1.6
185.13283	4.9
187.14828	6.9
188.11949	3.3
189.12755	9.6
189.16339	6.6
191.14261	3.8
191.17940	1.4
197.13219	1.2
199.11139	1.1
199.14822	4.3
201.12750	3.3
201.16370	3.5
203.14337	100.0
205.15906	9.1
205.19591	1.4
207.17513	2.3
212.54686	1.0
213.16438	2.2
215.14439	2.1
215.17975	6.5
217.15901	96.4
218.16255	2.0
223.16910	2.0
227.17986	1.1
229.15923	1.3
233.19037	4.3
338.23724	1.0
405.31775	5.0
423.32651	15.1
441.33524	14.2
459.29272	1.1
459.34689	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	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.4
67.05495	13.4
69.03432	14.0
69.07066	8.5
69.45925	28.1
69.46255	4.4
69.46435	3.2
71.04990	3.1
71.19724	3.8
79.05489	4.5
79.47446	4.0
80.60100	3.3
81.03449	6.3
81.07048	15.6
83.04978	11.1
83.08613	5.7
83.66436	3.4
85.02896	17.7
85.06503	3.2
87.00829	9.0
93.07054	10.3
95.08614	35.8
97.02912	4.0
105.01878	5.3
105.07019	5.4
107.08592	22.8
109.02850	4.6
109.06498	11.0
109.10170	100.0
113.09624	4.0
119.08577	32.9
121.10118	10.6
123.08063	12.3
123.11691	6.4
127.03914	10.9
133.10144	25.3
135.11707	81.3
137.09607	14.0
149.13237	5.6
151.11191	8.5
151.14830	10.5
165.16428	5.4
175.14818	41.2
193.09261	3.4
193.15868	55.7
205.18486	3.9
211.16920	83.2
211.18776	6.6
212.17476	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	459.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
53.63726	2.7
55.01873	7.1
55.05508	15.7
57.03432	4.3
61.02936	4.3
63.13031	2.7
67.05515	21.2
68.99783	4.2
69.03436	28.1
69.07072	24.2
69.47504	22.3
71.04994	12.2
73.68347	2.8
79.05493	14.2
81.03427	23.3
81.07065	28.7
83.05003	6.9
83.08625	14.1
85.02919	44.3
85.06583	3.9
86.09702	2.8
87.00817	17.9
90.92452	2.3
91.05476	14.1
91.68694	2.7
93.07042	29.9
95.04971	9.8
95.08618	35.1
95.19466	2.6
97.02907	21.2
97.06544	25.5
98.20763	6.3
99.04475	14.9
99.08115	3.7
105.01883	18.7
105.07020	21.9
107.04909	3.3
107.08618	31.9
109.02877	13.2
109.06540	15.1
109.10175	23.8
111.11736	5.2
115.07610	18.3
117.07045	3.1
119.08595	40.4
121.06535	3.0
121.10176	16.1
123.08098	16.0
123.11721	26.8
125.09677	5.2
127.03912	30.0
131.08588	6.5
133.06529	3.4
133.10152	44.9
135.08096	9.0
135.11708	40.3
136.08443	5.2
137.05969	5.6
137.08722	4.0
137.09619	22.2
137.13301	3.8
140.95670	2.9
141.09143	3.0
145.04976	6.5
145.10120	7.9
147.08063	4.8
147.11711	9.3
149.13255	19.8
151.07562	3.2
153.09181	3.1
153.12704	5.2
157.10106	4.4
159.02921	10.8
159.11731	4.2
161.09651	3.6
161.13297	3.3
165.09134	100.0
165.12791	4.4
173.09634	4.1
173.13385	3.7
175.11313	3.8
175.14851	59.6
177.16461	3.1
179.07126	3.6
187.14943	3.5
193.15892	68.5
194.16318	3.1
203.14304	3.9
205.12367	3.4
205.15959	2.9
211.16943	73.1
231.04878	4.5
367.22562	4.6
405.18784	3.3
441.33572	6.3
459.17014	3.9
459.27640	5.4
459.33798	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60931	4.8
55.05510	7.5
59.46135	3.8
67.05495	16.4
69.03423	18.5
69.07054	8.5
70.06578	6.4
70.47680	8.1
70.48042	7.9
71.04989	6.1
72.08117	4.5
72.81815	3.2
79.05508	9.3
81.03410	16.1
81.07063	35.7
83.04979	4.0
85.02903	32.2
85.06564	12.9
86.09702	16.4
87.00825	16.9
91.05473	8.7
93.07059	31.6
95.05009	4.7
95.08612	52.9
97.02908	15.1
97.06526	3.9
98.21444	5.4
99.04449	4.5
99.08105	9.8
105.07055	25.4
107.08611	50.1
109.02892	10.1
109.06548	4.6
109.10168	20.5
111.08070	4.5
115.42686	3.8
119.08591	43.5
121.10158	23.2
123.11723	12.2
125.09624	5.9
127.03950	26.1
133.10143	38.1
135.11720	42.3
137.09665	3.9
145.04971	4.8
145.10155	4.6
147.08035	5.0
147.11646	9.4
149.13240	6.8
151.11163	6.8
163.14839	56.0
175.14850	51.1
177.16417	4.7
181.15891	15.4
193.15898	33.8
211.16953	100.0
293.06674	3.9
384.76315	3.8
441.33853	4.3
459.17828	5.0
459.35172	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64305	1.6
51.62852	1.4
53.03944	1.7
55.05511	8.1
57.07071	3.5
59.04997	1.9
59.49276	1.4
61.02919	1.8
63.25586	1.4
67.05512	14.5
69.03434	12.0
69.07063	10.2
70.90551	4.1
71.04988	2.9
79.05497	3.3
81.03401	3.1
81.07063	18.0
83.04977	8.6
83.08617	6.0
85.02912	9.8
85.06532	3.1
87.00837	2.8
87.83587	1.4
91.05481	3.8
93.07047	9.3
95.08040	2.6
95.08613	33.6
97.02911	2.6
99.08074	1.8
100.78162	1.6
102.83280	1.5
105.01889	3.0
105.07037	6.3
107.08606	21.3
109.02886	3.1
109.06536	6.3
109.10163	99.8
111.08091	2.6
119.08594	39.1
121.10131	14.1
123.08092	11.2
123.11703	7.6
127.03917	6.5
133.10139	19.8
135.11703	100.0
136.12067	2.1
137.09625	13.5
139.11143	2.1
149.13274	5.5
151.11168	7.6
151.14812	9.4
153.12740	2.0
165.16408	3.5
175.14833	43.0
176.15062	1.7
193.15895	68.6
194.16336	1.7
211.16946	59.1
236.67909	1.5
262.45474	1.4
263.27951	1.7
297.02606	1.5
339.39594	1.5
429.90125	1.7
482.26993	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	459.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22015	2.2
56.96563	6.4
61.02917	3.2
69.03445	5.8
69.50626	2.3
70.41263	3.5
70.41647	3.3
73.02892	2.2
85.02916	11.4
91.04005	2.9
97.02885	2.8
98.97591	100.0
110.97599	19.7
112.89610	21.9
114.89353	17.8
116.89127	33.3
116.98630	35.8
127.03928	6.3
128.87605	2.6
128.98605	27.9
134.99677	8.9
141.99300	2.4
145.04977	3.4
146.99622	10.0
158.98320	4.2
158.99654	76.9
161.02951	3.1
170.99670	23.3
176.86803	2.4
177.00728	68.2
183.05045	2.8
189.00706	39.7
195.01682	4.6
200.02374	3.0
201.00778	5.9
207.01788	12.5
219.01794	45.2
231.01752	7.0
232.90102	2.6
237.02945	13.1
245.05098	4.3
249.02852	25.0
255.03891	5.7
263.06216	4.7
264.07785	3.6
273.07922	2.4
273.78738	2.7
275.06223	4.6
279.03885	90.9
291.03903	4.4
297.04898	10.5
309.04849	15.6
339.05658	3.4
362.94971	2.6
459.12482	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	458.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
52.11335	0.6
53.03934	2.1
55.01865	0.8
55.05516	4.7
56.05852	1.0
57.03424	0.8
57.07072	1.4
62.66555	0.5
65.03965	0.8
67.05508	7.4
67.05836	1.0
68.05832	1.3
69.03429	1.6
69.07069	6.9
69.26749	1.3
69.27171	4.3
69.72532	0.5
70.06600	1.1
70.07413	0.9
71.04997	0.7
71.08613	0.6
79.05499	6.1
80.05824	1.0
81.03419	1.0
81.07063	13.5
82.07410	2.5
83.04956	0.9
83.08620	4.2
84.08920	0.7
85.02919	2.4
85.06537	0.9
87.00820	1.3
91.04890	0.6
91.05478	16.7
92.05822	1.7
93.07055	10.8
94.07375	1.8
95.04977	2.2
95.08615	19.2
96.08944	3.6
97.02885	0.7
97.06537	1.1
97.10188	1.0
99.08105	1.0
103.05487	1.7
104.06258	0.9
105.01868	1.8
105.07040	25.7
106.07336	3.2
106.22414	0.5
107.04951	1.0
107.08600	27.2
108.08929	4.6
109.02886	0.9
109.06528	1.8
109.10164	8.3
110.10491	2.8
111.08075	0.9
117.07028	7.5
118.07314	0.8
119.08587	100.0
120.08097	2.0
120.08931	4.7
121.06524	4.8
121.10150	12.4
122.06841	2.1
122.10479	4.4
123.08060	1.3
123.11692	2.0
124.12038	1.3
125.09656	0.9
127.03925	2.0
129.06990	0.6
131.08603	4.6
132.08897	2.5
133.10144	17.8
134.10478	4.7
135.08057	5.4
135.11707	5.0
136.08389	2.0
136.12044	2.1
137.09645	1.6
137.13278	0.9
138.09998	0.9
143.08582	1.2
144.09242	0.9
145.05013	1.5
145.06551	0.6
145.10118	6.4
146.10435	3.2
147.04552	0.5
147.08058	2.2
147.11687	6.9
148.08412	0.9
148.12012	2.5
149.06003	3.8
149.09644	1.7
149.13261	3.1
150.06346	2.1
150.09966	1.4
150.13562	2.5
151.11191	0.6
155.08449	0.5
157.10083	1.6
158.10522	1.1
159.08073	1.6
159.11723	6.0
160.08440	0.6
160.12025	4.3
161.09601	1.4
161.13248	2.7
162.09956	1.1
162.13605	1.9
163.03923	1.7
163.07518	0.7
163.11214	0.8
163.14769	1.2
164.11555	0.7
164.15228	0.5
165.09167	1.1
169.10136	0.8
170.10429	0.6
171.07883	0.7
171.11647	1.5
172.08528	0.7
172.12148	1.2
173.09598	1.0
173.13289	4.6
174.09879	0.9
174.13652	2.7
175.11234	2.4
175.14833	27.5
176.11591	1.6
176.15189	2.5
177.12782	2.2
177.16431	2.1
178.13068	1.3
178.16760	1.9
183.11697	2.4
184.12080	2.3
185.13284	0.8
186.10292	1.0
186.13603	0.8
187.11044	1.5
187.14851	2.2
188.11555	0.7
188.15208	1.6
189.12796	2.4
189.16391	1.4
190.13121	2.3
190.16701	1.3
192.18367	1.0
197.13260	0.9
199.11194	2.0
199.14832	1.4
200.11588	2.1
201.12776	6.6
201.16095	0.5
202.13109	6.3
202.16814	1.1
203.14345	4.5
203.17979	1.1
204.14685	4.1
205.12280	0.6
205.15891	1.3
205.19576	1.1
206.16287	1.6
206.19911	1.4
214.16853	0.9
215.14293	3.5
215.17859	3.3
216.14737	3.8
216.18292	4.6
217.16037	1.5
218.16194	0.9
219.13768	2.7
220.14142	2.9
226.16660	0.7
228.18298	0.7
231.17458	1.0
232.17761	1.2
233.15398	0.7
233.19049	1.3
234.15855	0.7
234.19377	1.5
234.88441	0.6
239.25760	0.6
253.15953	0.6
269.18964	0.5
270.18991	0.6
359.26062	1.0
360.26117	4.8
384.26068	2.7
394.32053	1.0
396.29593	1.2
398.15045	1.2
398.31427	0.6
399.15842	2.4
404.30350	1.6
412.33105	0.9
422.31467	6.4
440.32385	4.9
458.10925	0.5
458.16669	2.5
458.33487	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	458.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01868	2.5
55.05510	4.7
56.05036	3.5
57.07072	2.6
67.05505	5.8
68.98268	1.7
69.03432	17.0
69.07066	5.5
69.30346	19.1
70.03770	4.3
70.06572	2.7
79.05499	15.1
80.05850	3.2
81.03425	5.6
81.07065	12.5
82.07385	2.2
83.04990	6.6
84.05327	3.2
85.02908	10.3
86.09708	5.3
87.00838	5.5
89.03909	6.2
91.05486	13.0
92.05824	3.5
93.07042	5.1
95.04973	4.4
95.08604	4.6
96.77959	2.2
97.02894	5.0
97.06522	2.2
99.04470	3.1
100.04806	2.3
105.01826	2.7
105.07033	16.0
106.07381	5.1
107.04967	7.6
107.08611	26.3
108.08939	12.5
109.02889	4.7
109.06527	5.5
109.10152	5.5
110.10495	2.7
115.05479	4.0
116.10748	2.3
117.03379	12.9
117.07021	6.5
119.08585	7.8
120.08925	3.3
121.06541	4.0
121.10166	16.1
122.07326	4.3
122.10519	10.5
127.03931	8.1
128.06242	4.8
129.07010	4.5
131.08560	5.3
132.08949	3.3
133.06509	34.3
133.10146	100.0
134.06848	32.8
134.10478	87.0
135.04440	21.7
135.07108	8.9
135.08070	11.0
136.07446	4.1
136.08426	7.2
137.09634	55.0
138.09967	33.6
141.50688	2.1
142.08615	2.3
145.02835	14.5
145.06445	9.5
145.10036	2.5
147.11722	4.8
148.12036	3.6
149.09627	4.2
149.13286	10.6
150.10019	2.6
150.13640	7.9
151.11223	3.2
152.11554	4.2
154.08611	6.2
155.04924	5.3
158.10852	2.9
159.11328	3.4
161.05942	3.4
161.09624	2.7
163.03925	69.7
163.14952	1.9
164.15173	2.6
165.12775	5.5
166.13126	3.0
171.04404	2.7
173.06035	22.3
173.13261	7.2
174.13609	8.0
181.59363	2.1
183.04454	8.6
187.04024	3.9
187.07457	2.1
189.05502	4.6
189.12772	4.6
190.13115	6.4
191.07051	2.1
191.14348	45.8
192.14696	56.5
193.14954	3.6
194.15166	2.8
199.03891	2.9
200.17206	1.9
201.05482	20.6
201.78206	1.9
207.06569	8.0
207.13881	3.9
208.09776	2.2
208.14195	5.6
209.15501	10.0
210.15791	15.0
211.04012	2.5
213.94412	1.9
215.07199	3.8
217.04887	3.7
228.06540	2.9
229.04996	10.1
233.08076	4.9
243.06548	2.3
246.07649	4.7
249.07501	4.7
261.07666	9.3
278.10245	49.9
296.11328	53.2
389.54581	2.2
422.28580	2.6
458.14478	33.2
458.32544	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	457.368
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
52.57420	0.8
53.03960	1.0
55.05520	6.1
57.07071	2.5
60.04533	9.5
67.05501	8.7
69.03436	1.1
69.07066	7.0
71.04985	1.0
71.58855	1.1
79.05489	6.7
81.07056	14.9
82.06517	0.8
83.04980	3.6
83.08622	3.5
85.06548	1.4
91.05482	5.9
93.07052	13.2
93.87427	0.8
94.07298	1.1
95.04973	1.8
95.08610	21.3
97.06527	2.6
97.10181	3.1
98.98496	1.5
105.06380	1.2
105.07034	12.8
107.08602	19.1
109.06541	1.6
109.10158	13.9
111.08091	1.4
117.07042	1.9
118.06560	1.0
119.08581	16.3
121.10141	13.1
123.08057	2.0
123.11708	5.7
125.09634	3.5
125.66779	1.0
128.06303	1.3
129.07005	1.2
130.06491	1.3
131.08577	3.3
131.75941	0.9
132.08084	1.2
133.10139	12.3
135.08084	4.6
135.11700	11.1
137.09665	1.2
137.13167	1.1
139.11230	1.4
143.08539	2.2
144.08069	8.6
145.10136	7.1
147.08086	1.8
147.11687	8.7
149.09622	5.5
149.13229	4.4
151.11182	1.7
156.09193	1.2
157.10129	3.8
157.59097	0.8
158.08379	2.4
159.11688	6.0
161.09615	3.9
161.13235	5.7
163.11145	1.3
163.14799	3.6
169.10168	1.5
171.11691	1.9
173.09671	1.1
173.13248	5.3
175.11116	2.1
175.14827	7.1
177.12689	1.1
177.16412	3.3
179.14392	1.4
183.11673	1.2
185.13257	3.7
187.14804	4.0
189.12788	1.4
189.16405	7.8
191.14403	0.9
191.17935	2.1
197.13153	0.9
199.14809	1.8
201.16437	1.7
203.11842	2.8
203.14342	3.7
203.17958	6.1
205.15894	2.2
213.16356	2.6
215.14478	1.2
215.18042	1.1
217.15912	1.7
219.13802	1.3
221.18974	1.8
225.16243	1.3
231.17471	2.2
235.16939	3.9
245.22720	0.9
249.18391	1.6
257.22064	0.9
280.26233	1.5
285.22095	1.7
298.27292	2.2
299.23547	1.0
303.23248	1.3
308.25815	0.8
326.26788	5.2
421.35034	4.3
439.36349	6.1
445.00104	0.9
457.37057	100.0
458.37402	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	457.3677
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
54.24722	2.6
54.31903	2.9
55.05506	5.8
67.05511	7.1
69.07079	9.0
69.69872	5.4
69.70277	14.2
79.05489	8.2
81.07075	23.5
83.08635	4.3
91.05471	7.1
93.07058	27.5
93.14278	2.9
95.08604	65.5
105.07050	12.3
107.08588	40.0
109.10167	32.4
119.08574	21.6
121.10146	37.6
123.11714	11.4
133.10115	14.9
135.11670	25.6
145.10182	4.0
147.11688	11.7
149.13269	20.7
161.13255	11.9
163.14812	37.5
173.13344	4.3
175.14833	8.9
177.16312	18.4
186.06956	3.3
187.14804	10.2
189.16374	21.4
191.17958	19.7
203.17972	30.7
205.19475	4.2
207.17493	5.1
215.17989	4.0
217.19542	3.4
221.19164	4.5
231.21194	8.9
237.02423	3.3
297.25726	10.2
300.85904	3.2
315.26968	5.4
325.94684	3.2
393.35269	8.3
411.36237	100.0
412.36743	5.5
439.35654	10.7
457.37109	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	457.3679
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03940	2.3
53.74292	1.4
55.05515	14.2
57.03421	1.3
57.07076	4.4
58.86062	1.4
63.28548	1.4
65.03944	1.8
67.05514	17.1
69.07072	18.4
69.34661	1.4
71.18426	3.0
75.73164	1.7
79.05499	10.2
81.07064	40.5
83.08618	13.0
85.06517	1.7
90.69034	1.5
91.05482	12.1
93.07050	36.3
95.08617	88.4
97.06562	2.8
97.10187	7.5
105.07039	26.9
107.08600	66.3
109.06566	1.8
109.10167	54.9
111.04517	1.6
111.08096	3.2
111.11718	3.2
119.08593	63.6
121.10156	50.2
123.08113	1.9
123.11736	21.3
125.09703	2.3
131.08545	7.2
133.10139	43.8
135.11711	51.7
137.09636	1.8
137.13293	6.9
145.10101	9.7
147.11708	39.9
149.13277	26.2
153.09149	8.8
153.12723	1.8
159.11699	9.1
161.13278	27.0
163.14832	33.8
165.09219	3.7
167.10712	3.9
173.13322	4.8
175.14859	20.1
177.16418	16.0
179.14375	2.1
187.14807	12.5
189.16399	100.0
190.16884	2.5
191.17969	86.5
192.18399	3.4
201.16367	16.9
203.17976	96.9
204.18292	3.5
205.19565	14.5
207.13899	2.2
207.17429	9.2
215.17986	8.9
217.15933	2.7
217.19533	16.8
221.15372	3.5
221.19043	7.1
229.19643	5.3
231.17421	1.9
231.21111	15.8
235.16977	18.2
245.22768	4.1
247.17026	5.6
249.18538	29.3
257.22726	3.6
261.18661	2.3
269.22791	1.7
271.24313	4.0
275.20322	3.2
277.21753	3.4
284.91107	1.4
295.06143	1.5
317.24921	2.1
329.24835	2.9
343.26385	1.9
393.35284	13.9
411.36255	52.1
412.36557	4.2
439.35773	45.9
440.35910	2.6
457.36890	85.9
458.37149	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	457.3683
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
51.54841	1.9
53.03957	2.8
55.05513	14.4
57.07075	9.0
58.92355	1.9
60.30042	1.7
65.03947	2.6
67.05518	24.8
69.07069	21.6
70.12452	9.2
74.31200	1.8
79.05499	22.8
81.07061	55.8
81.25292	1.9
82.07393	2.1
83.08635	12.3
91.05483	19.8
93.07053	35.8
95.08617	100.0
97.06522	4.7
97.10189	7.7
98.98479	13.5
99.08123	3.0
105.07045	36.7
107.08605	61.8
109.06512	3.0
109.09448	3.9
109.10158	55.9
111.08093	3.0
111.11737	2.7
114.51282	2.4
115.05475	2.5
117.07002	9.7
119.07716	2.0
119.08582	58.1
120.08973	2.6
121.06548	2.4
121.10153	46.1
123.08098	3.8
123.11719	30.8
125.09609	5.3
125.13396	2.2
127.11166	2.4
129.06999	3.8
130.07816	1.9
131.08572	16.9
133.10141	45.7
135.08066	10.3
135.11703	42.8
137.09596	3.4
137.13266	18.5
140.99487	5.0
143.08549	4.3
145.10144	23.7
147.08084	4.4
147.11702	36.0
149.09625	4.3
149.13271	22.6
151.14879	2.3
153.09081	3.6
155.68900	2.1
157.10056	4.6
159.11702	22.1
161.09653	5.7
161.13275	25.9
163.11171	3.1
163.14830	31.1
165.09175	5.8
167.10710	3.5
169.10152	3.1
171.11728	8.1
173.02119	2.5
173.13255	14.5
175.11316	4.3
175.14841	13.9
177.12811	2.9
177.16455	15.2
179.10713	3.2
179.18050	3.3
183.11763	3.3
185.13274	3.6
186.02646	1.8
187.14847	15.6
189.12767	3.5
189.16394	62.3
189.18121	3.6
191.14302	3.3
191.17969	57.7
192.18243	3.9
197.02020	3.9
199.14902	6.2
201.12788	4.0
201.16412	19.4
203.14326	6.7
203.17979	66.6
205.15916	2.1
205.19485	8.9
207.17447	6.5
211.15021	1.9
213.16454	4.1
215.14565	3.0
215.17973	8.0
217.15869	5.1
217.19556	8.1
219.13812	2.7
221.19038	4.6
227.17964	3.3
229.19553	4.6
231.17444	7.9
231.21103	8.0
233.15399	3.3
235.16917	10.8
241.19585	2.8
243.21098	6.2
244.21507	2.0
247.16878	7.7
249.18593	18.9
257.22684	5.2
259.16812	3.0
261.18600	4.8
271.24182	3.1
275.20154	2.7
285.22015	10.1
303.23123	5.8
307.34790	2.2
329.25247	2.0
359.25537	3.8
377.26746	2.2
393.34958	11.4
411.36264	44.5
421.30957	2.8
439.22821	2.7
439.36249	32.0
457.23251	6.0
457.32770	29.1
457.37103	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	457.3677
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.24295	1.4
53.03961	2.5
53.16646	1.3
55.05511	12.7
57.07076	4.5
65.03948	2.3
67.05511	19.0
69.07064	18.8
70.02299	7.7
70.84235	1.4
74.94289	1.4
79.05484	11.6
81.07066	39.3
83.08621	13.8
91.05486	10.7
93.07051	33.2
95.01637	2.6
95.08611	86.5
97.06552	2.0
97.10191	5.0
105.07034	30.1
107.08600	65.9
109.10165	55.5
111.08047	3.0
111.11716	2.3
119.08584	63.2
121.10153	52.3
123.11707	20.9
125.05979	2.2
125.09657	2.9
131.08606	6.0
133.10133	44.6
133.11078	2.8
135.08081	2.3
135.11702	43.4
135.12697	2.2
137.13287	7.0
139.07547	2.3
143.08562	1.6
145.10110	9.2
147.11688	38.8
147.12787	2.7
149.13252	22.1
149.14328	1.7
153.09106	12.4
157.10121	3.2
159.11713	7.9
161.09630	1.5
161.13271	27.8
163.14824	37.1
165.12799	1.6
167.10756	3.3
173.13318	6.4
174.14110	1.8
175.14839	20.6
177.16396	19.2
179.10768	2.7
187.14856	8.2
189.09471	2.8
189.16382	100.0
190.16811	2.3
191.17961	80.4
192.18274	2.3
193.12190	3.2
193.15984	1.7
201.16391	16.3
203.17963	94.1
205.19510	16.5
207.17435	7.5
215.17963	6.0
217.16010	2.5
217.19508	14.7
219.17604	2.1
221.15314	2.6
221.19083	6.5
229.19550	5.0
231.17581	2.5
231.21071	13.6
235.16968	17.8
245.22813	3.7
247.17038	6.2
249.18483	31.5
257.22729	4.8
259.24155	2.4
261.18509	2.2
263.20111	2.8
271.24289	4.1
275.20132	3.0
277.21759	1.9
304.00345	1.8
329.24933	2.0
343.26242	2.2
393.35205	9.9
411.36224	54.9
412.36884	2.3
421.40427	1.6
439.35724	40.5
457.36960	76.1
458.37256	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	457.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01553	2.6
53.03957	4.7
55.01849	2.3
55.05513	13.5
57.07074	4.3
67.05501	27.7
69.07075	20.7
69.44231	20.6
79.05506	18.4
81.06580	3.4
81.07060	69.9
83.08617	11.2
91.05496	16.5
93.07056	48.0
95.04931	2.7
95.08614	100.0
96.08929	4.7
97.06514	3.2
97.10165	5.1
98.98463	7.9
99.08098	4.6
103.37775	2.1
105.07040	42.4
107.08601	71.6
109.10162	64.9
109.10910	3.4
111.08067	5.2
117.07038	5.7
119.08590	67.5
121.10149	56.6
123.08057	3.5
123.11712	29.8
125.09624	3.7
129.07004	3.6
131.08620	14.3
133.10133	49.7
134.10518	3.4
135.08032	12.3
135.11693	54.4
137.09653	3.3
137.13298	18.3
139.07562	2.5
140.84962	2.7
143.08572	5.2
145.10150	24.8
147.11696	38.0
149.09682	3.4
149.13242	22.9
151.14835	3.3
152.50888	2.4
153.09151	6.8
157.10118	7.1
159.11685	24.4
161.09677	3.5
161.13242	29.7
163.11185	2.9
163.14845	35.1
165.08986	2.7
167.10614	3.0
169.10089	2.8
171.11711	6.2
173.13280	12.3
175.11130	3.0
175.14839	21.4
177.12758	2.9
177.16417	14.9
179.17952	4.5
185.13268	4.9
187.14833	16.0
189.16394	66.1
191.14304	2.7
191.17955	67.7
193.15918	2.6
199.14807	4.8
201.12738	4.5
201.16364	21.6
203.14467	5.1
203.17966	68.7
205.15778	3.4
205.19525	9.6
207.13768	2.5
207.17528	9.0
213.16415	4.2
215.17958	11.8
217.15924	7.8
217.19478	11.7
219.13811	5.8
219.70274	2.6
221.19048	6.6
227.17937	4.6
229.19572	6.6
231.17465	8.9
231.21091	12.2
233.15451	3.2
235.16940	10.7
241.19492	4.6
243.21129	5.0
247.16954	6.3
249.18552	24.5
255.21339	2.7
261.18597	3.5
271.24234	4.8
285.21973	3.5
303.23340	2.8
393.35226	7.6
411.31296	3.7
411.36264	45.9
421.30649	4.5
439.36215	30.0
457.23019	5.1
457.31909	51.9
457.37515	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	457.3319
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
51.60475	1.5
53.03939	2.6
55.05514	9.5
57.03414	1.5
57.07069	4.0
58.18515	1.3
67.05502	12.4
69.03434	1.8
69.07078	10.8
69.07390	2.0
71.04973	1.6
71.08633	1.5
71.58612	1.9
73.08932	1.3
79.01040	1.4
79.05493	10.6
79.97249	1.6
81.07060	21.8
83.05013	1.5
83.08624	6.8
85.06546	1.8
91.05485	12.9
93.07048	19.4
95.04943	2.1
95.08609	28.3
96.08947	1.6
97.06525	3.3
97.10175	3.1
99.08107	1.8
105.07037	28.5
107.04900	1.8
107.08598	33.0
108.08914	1.7
109.06541	3.4
109.10176	20.0
110.26073	1.4
111.08066	4.1
117.07018	5.4
119.08589	38.0
120.08932	2.8
121.06508	3.1
121.09312	2.3
121.10152	31.7
123.08060	4.4
123.11713	8.2
125.09628	2.9
128.06195	1.8
131.08577	16.6
133.06436	2.2
133.10130	30.2
135.08058	24.9
135.09009	2.8
135.11670	12.0
135.44118	1.6
136.08377	8.3
137.08685	1.8
137.09651	3.2
137.13229	3.9
142.07820	2.0
143.08525	5.1
145.06441	2.1
145.10130	25.3
145.96985	1.6
147.08044	6.1
147.11714	18.4
149.09651	9.9
149.13274	10.3
151.07574	2.3
153.09157	3.4
155.08559	2.1
156.09366	2.3
157.10139	10.3
159.08098	2.1
159.11714	22.6
161.09613	6.8
161.13263	20.0
163.07582	2.3
163.11243	8.4
163.14830	8.6
165.09117	17.2
167.10703	3.1
169.10194	2.4
170.10861	1.5
171.11691	6.5
173.09622	2.6
173.13307	15.9
175.11201	7.1
175.14879	12.1
177.09114	2.5
177.12761	2.8
177.16342	9.7
181.12224	2.7
183.11662	3.7
185.13240	4.9
187.11212	2.9
187.14861	25.0
189.12779	2.2
189.16386	25.8
191.14365	2.5
191.18010	6.6
193.12303	1.6
197.13240	2.4
199.11105	2.8
199.14769	5.1
201.12769	7.7
201.16388	15.8
203.14325	15.0
203.17950	10.4
205.15938	11.8
207.13866	1.7
207.17464	2.2
211.14896	2.8
213.16441	3.6
215.14328	5.0
215.17908	4.6
217.12259	2.0
217.15894	6.1
219.13931	10.7
219.17456	5.9
221.15395	7.8
223.16974	4.1
227.17905	3.5
229.15889	2.7
229.19464	2.4
233.15385	9.9
235.16978	2.0
237.18575	2.3
241.19429	2.2
243.17413	2.3
247.17026	2.3
261.18677	1.9
281.22791	1.7
345.68085	1.7
375.30212	2.6
391.29724	1.9
393.31467	5.6
403.29770	3.6
411.32578	11.6
421.30862	10.5
439.31802	15.0
457.25732	7.1
457.32803	100.0
458.33487	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	457.3316
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
50.66216	0.7
53.42461	0.7
55.05505	1.9
65.69736	0.6
67.05509	4.2
69.03430	1.5
69.07077	2.8
69.76346	0.6
71.18584	1.2
79.05509	4.5
81.07068	8.4
81.27433	0.6
83.08613	1.6
91.05482	5.1
93.07048	10.9
95.04995	2.1
95.08060	0.8
95.08624	11.0
97.06539	1.6
98.49275	0.7
99.08098	1.4
105.07042	11.2
107.04955	1.5
107.08604	15.7
109.06531	1.6
109.10155	8.1
111.08078	1.0
117.07041	2.1
119.08591	13.3
121.06498	2.9
121.10156	7.3
123.04433	1.0
123.08071	1.5
123.11708	2.6
125.09650	2.1
129.07008	1.4
131.08600	5.8
133.06531	5.4
133.10149	10.7
135.04430	0.9
135.08066	34.7
135.11729	3.2
137.02373	0.7
137.09634	1.9
142.07744	1.1
143.08617	3.7
144.09404	0.9
145.10156	9.8
147.08051	5.1
147.11703	6.9
149.09654	5.5
149.13293	1.5
151.11200	1.1
153.09164	1.3
155.08580	1.2
156.09418	1.3
157.10141	6.0
158.10905	0.9
159.08078	1.9
159.11739	7.7
161.09630	10.4
161.13280	3.8
163.03935	2.3
163.11224	1.3
163.14917	1.2
165.07060	0.8
165.09070	1.8
165.12735	1.0
169.10172	2.3
170.10930	0.8
171.11711	3.8
173.09660	2.1
173.13251	6.6
175.11200	7.2
175.14810	3.3
177.12831	1.4
179.31631	0.8
183.11754	3.0
185.09546	1.1
185.13293	3.3
187.11255	1.8
187.14844	4.9
189.12814	3.4
189.16382	1.8
191.14346	2.3
193.12296	1.2
197.13338	1.6
199.11374	0.8
199.14882	1.8
201.12766	2.6
201.16382	3.3
203.14334	20.5
203.18001	1.3
207.11638	0.8
209.13283	1.3
211.14787	1.4
213.12685	1.0
213.16472	2.8
215.14406	1.3
215.18105	0.9
217.15932	8.3
219.13815	6.3
221.05902	1.5
221.15382	1.5
225.16379	1.2
227.17918	0.8
229.15958	1.3
231.17474	1.8
233.15408	1.1
239.07216	0.7
239.17999	0.8
241.72932	0.8
243.17522	1.2
249.05508	1.4
250.06421	1.9
251.18019	0.8
253.19595	1.5
255.20955	0.7
265.19653	0.8
267.06488	1.0
278.05859	1.5
295.06097	2.8
295.20526	1.0
339.31808	0.7
351.23187	1.1
352.84528	0.7
391.29968	0.9
393.31580	0.9
403.30069	2.7
421.31049	10.1
439.08212	1.9
439.32074	7.4
457.09177	2.0
457.33185	100.0
458.33502	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	457.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
54.24343	2.0
54.32921	1.7
55.05516	16.6
57.07077	5.3
65.03967	2.0
67.05509	21.8
69.03427	2.0
69.07069	18.4
70.75184	4.9
71.05003	2.4
72.89960	1.7
75.00677	2.2
79.05518	17.4
81.03432	2.0
81.07064	34.8
83.04994	4.7
83.08619	11.2
85.06556	6.6
91.05482	20.3
93.07058	37.4
93.69173	1.9
95.04991	6.2
95.08617	53.0
97.06544	6.7
99.08141	2.5
105.07043	37.6
107.04987	6.9
107.08611	50.7
109.06527	6.4
109.10168	46.5
111.08104	6.6
117.07027	7.0
119.08596	55.7
120.08917	2.3
121.06528	26.2
121.10159	45.4
123.08104	5.0
123.11697	14.3
125.09650	3.3
129.07036	2.3
131.08580	18.6
133.06535	4.9
133.10139	40.2
135.04430	3.3
135.08084	20.3
135.11697	22.6
137.09671	5.4
137.13254	4.7
143.08600	6.8
144.09380	2.5
145.10138	27.8
147.08095	10.6
147.11723	23.2
149.06012	13.8
149.09663	12.2
149.13264	18.7
151.11240	3.9
156.09370	4.4
157.10164	7.4
158.10884	3.6
159.08067	6.4
159.11719	36.5
161.09660	8.0
161.13264	14.4
163.03909	4.2
163.07610	3.3
163.11227	3.1
163.14859	8.5
165.09241	2.4
169.10223	2.2
171.08192	2.3
171.11699	11.3
172.08887	3.1
173.09654	9.0
173.13309	23.8
175.11234	15.9
175.14845	11.5
177.12788	8.6
177.16435	12.6
182.10948	2.1
183.11696	13.5
184.12177	2.0
185.09631	3.7
185.13301	7.9
186.10474	6.8
187.11208	8.2
187.14874	11.0
189.12735	12.0
189.16396	11.8
191.14326	5.4
191.18022	5.4
197.13298	6.4
199.11212	16.3
199.14914	5.1
201.12773	41.1
201.16443	6.9
203.14349	30.0
203.18021	5.4
205.12442	3.1
205.15848	12.3
205.19629	7.0
207.17587	3.3
211.14778	2.2
213.12871	2.7
213.16502	6.3
215.14377	20.7
215.17940	21.7
217.12248	6.2
217.15944	4.8
219.13898	11.8
219.17627	2.4
221.15286	2.4
223.15091	2.1
225.12885	2.4
225.16418	2.5
227.14401	2.5
227.18103	3.0
229.15965	2.2
231.17494	8.6
233.15401	5.6
233.18997	6.6
235.13307	4.2
239.14113	2.0
239.18092	2.2
255.17429	3.1
280.59100	1.9
295.06006	1.9
300.99454	2.0
323.23547	1.8
359.25952	10.2
365.24997	5.0
383.25937	4.7
384.59863	2.0
395.29550	4.6
397.31277	7.0
403.30032	7.3
421.31113	29.6
439.32153	45.2
440.32144	2.1
457.33185	100.0
458.33627	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	457.3315
Annotation	Norselic acid B
Peak:m/z	Relative Intensity
53.03946	3.3
55.01865	2.6
55.05512	6.2
57.03419	2.1
57.07095	1.7
59.04995	1.4
61.02925	1.3
67.05509	10.2
69.03438	12.6
69.07082	11.5
69.45460	4.3
69.45884	2.8
71.04610	1.1
71.04993	2.1
73.02919	2.7
79.05494	10.7
81.03423	12.1
81.07061	18.5
83.04997	1.1
83.08622	5.6
85.02916	17.8
87.00843	7.5
89.03915	2.1
91.05487	11.6
93.07057	19.1
95.04991	5.1
95.08617	29.6
95.09232	1.5
97.02897	7.9
97.06538	5.7
97.10194	1.3
98.20788	1.8
99.04465	4.3
99.08101	3.1
105.01874	6.2
105.07040	22.1
107.04958	2.5
107.08609	31.0
109.02896	12.3
109.06522	5.2
109.10168	16.4
111.04417	0.9
111.08086	2.5
114.37709	0.9
114.67307	0.8
117.07024	3.0
119.08592	24.7
121.06503	6.1
121.10154	19.0
122.07307	1.6
123.04409	1.2
123.08081	8.0
123.11736	4.4
125.09654	4.8
127.03068	1.7
127.03926	17.8
128.06194	1.2
129.01855	1.2
129.07011	2.5
131.08586	9.7
133.06525	4.3
133.10144	19.2
135.04448	3.8
135.08070	45.2
135.11719	6.7
137.09669	5.1
137.13252	2.0
142.07831	0.9
143.08557	5.5
145.02913	1.5
145.04994	10.1
145.06096	1.4
145.06488	1.3
145.10143	16.7
147.02913	1.5
147.08055	8.6
147.11690	13.5
149.05986	1.6
149.09630	13.1
149.13268	6.0
151.11182	3.0
153.09143	3.1
155.08592	2.2
156.09377	2.2
157.10168	7.1
158.11023	1.7
159.02910	9.7
159.08102	3.0
159.11702	12.1
161.09634	11.3
161.12051	1.6
161.13252	8.1
163.03912	15.4
163.14888	2.6
165.06993	1.9
165.09100	11.3
165.12787	7.1
169.10193	3.3
170.10895	1.3
171.08168	1.4
171.11703	7.7
173.02162	1.0
173.09651	2.9
173.11066	0.9
173.13289	12.4
175.11243	7.8
175.14832	8.2
176.06377	1.2
177.12772	2.6
177.16437	2.1
179.10796	1.3
179.68231	0.9
183.10207	1.0
183.11780	3.5
185.09596	1.8
185.13318	6.0
186.10547	1.1
187.11249	2.7
187.14862	7.8
189.12808	5.1
189.16484	4.0
191.14330	30.3
193.12239	5.1
193.15912	2.9
195.11740	1.6
197.13309	3.3
199.11238	2.5
199.14844	4.0
201.12753	9.0
201.16414	5.7
203.14316	26.6
203.16147	1.4
203.17928	1.5
205.15939	3.1
207.13885	2.7
209.13359	1.6
209.15405	3.4
211.14850	3.3
213.12711	1.7
213.16376	4.3
215.14365	4.0
215.18034	2.3
217.15930	10.1
219.13834	19.4
219.17430	1.3
221.06161	1.0
221.15405	1.9
223.14949	1.0
225.16310	2.1
227.14380	1.2
227.17886	1.4
229.15913	2.9
231.04965	4.3
231.17509	2.4
232.53815	1.0
233.15375	2.1
239.07005	1.2
239.17949	2.2
241.16051	1.3
241.19522	1.3
243.17494	1.2
247.16924	1.2
249.05673	1.4
250.06300	2.0
255.17471	2.4
267.06577	1.8
267.17657	1.2
268.07336	1.3
278.05734	1.8
283.20908	1.5
295.06210	3.0
295.20630	1.3
297.22333	2.4
315.49503	1.0
319.06207	2.5
327.23260	1.6
351.23578	1.3
383.39804	1.0
391.30051	1.7
393.31589	2.3
403.30121	6.7
409.30899	1.5
421.31058	20.0
422.31555	1.2
439.08194	2.3
439.32104	20.4
457.09216	2.1
457.21002	7.6
457.33185	100.0
458.33875	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	457.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01855	0.8
55.05517	5.8
57.07056	1.3
67.05178	0.7
67.05507	9.4
69.03413	1.4
69.06721	0.8
69.07069	10.2
69.59698	2.6
71.04994	0.9
79.05118	0.4
79.05496	4.4
81.03390	0.6
81.07060	17.9
83.04971	1.3
83.08635	3.3
85.02897	0.7
85.06530	1.3
89.03929	0.5
91.05467	4.6
93.07046	11.1
95.04941	1.6
95.08611	17.3
97.06518	1.9
97.10169	3.3
99.04504	0.6
99.08112	1.1
105.07040	7.6
107.04895	0.7
107.08598	11.4
109.06506	2.1
109.10163	14.8
111.08082	0.8
111.11721	1.4
112.07655	0.4
117.03387	0.8
117.06998	1.5
119.08582	9.8
121.06516	2.2
121.10144	11.2
122.07308	2.8
123.04546	0.5
123.08058	1.4
123.11712	8.6
124.07580	0.5
125.09592	1.0
127.03909	0.8
129.06862	0.5
130.05013	0.7
130.06503	0.5
130.07741	0.5
131.08601	3.0
133.06543	0.7
133.10133	7.3
135.04414	1.7
135.08058	5.6
135.11714	6.0
137.09621	10.9
137.13228	1.9
139.11165	2.0
143.08549	0.6
145.02852	0.8
145.10133	3.8
147.08011	1.5
147.11729	4.5
149.05972	1.8
149.09625	22.0
149.13264	7.9
151.07576	1.1
151.11172	2.3
153.09096	1.9
153.12740	1.8
155.08507	0.5
157.10089	1.3
159.08047	1.3
159.11696	3.7
161.09656	3.1
161.13197	2.5
163.03925	5.1
163.07544	1.1
163.11180	2.2
163.14804	1.7
165.09122	100.0
166.09485	1.1
166.90607	0.4
169.10121	0.8
171.11646	1.4
172.08839	1.0
173.09586	2.3
173.13289	3.0
174.10382	1.8
175.11198	6.7
175.14850	2.0
176.08267	0.5
177.09102	3.1
177.12749	1.6
177.16321	1.1
179.10640	2.4
183.11684	1.3
185.13254	1.2
186.10387	0.7
187.11189	3.7
187.14824	1.7
189.09189	3.0
189.12762	9.2
189.16399	1.5
190.09898	2.0
191.10689	3.4
191.14313	1.9
197.13268	0.9
199.11266	2.2
199.14912	0.9
201.12740	5.1
201.16357	0.8
203.10695	3.8
203.12193	0.5
203.12520	0.5
203.14294	4.0
203.17964	1.1
205.12251	18.4
205.15794	1.3
205.19519	1.6
207.17632	0.5
209.13260	0.7
209.15303	1.1
211.14864	0.6
213.12744	1.8
213.16328	1.1
213.88225	0.4
215.14378	2.5
215.17978	2.3
217.12340	0.9
217.15932	0.9
219.13815	2.1
221.06070	0.6
223.14841	0.5
223.16843	0.5
227.14354	0.7
229.15865	1.2
231.13802	0.5
231.17494	0.9
233.15366	0.9
233.19014	0.6
237.18437	0.9
239.17969	0.5
245.15453	0.6
255.17424	0.7
257.19022	0.8
259.16766	1.1
279.23438	0.6
287.23792	0.7
291.19376	0.7
293.24860	0.5
295.06018	0.9
301.21701	1.4
305.21332	0.9
305.24738	8.1
359.25934	1.3
360.19952	0.5
369.11942	0.5
383.26117	0.6
393.31598	0.8
395.29279	0.5
399.15857	0.6
403.30005	0.8
411.32971	2.3
421.31131	3.6
439.32034	10.2
457.33160	19.9
458.17218	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	457.3317
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
53.03940	0.8
54.08383	0.7
54.11716	0.6
55.05499	2.5
57.07071	0.8
67.05517	3.8
69.03396	1.2
69.07070	3.0
70.83828	1.3
70.84203	1.3
71.05004	0.7
79.05486	4.0
81.07063	7.9
83.04978	3.2
83.08636	0.8
86.36964	0.7
91.05491	5.4
93.07046	7.9
95.04974	1.6
95.08613	13.3
97.10165	0.8
99.08092	1.1
105.07049	11.6
107.04935	1.2
107.08601	10.8
109.06493	1.5
109.10173	5.9
111.08128	1.6
115.05449	0.9
117.07011	1.9
119.08585	12.6
121.06501	3.1
121.10165	6.9
123.08035	1.8
123.11711	2.9
125.09626	1.8
128.06192	0.7
129.06990	1.6
131.08582	4.8
133.06500	4.3
133.10139	9.9
135.08066	40.2
135.11736	3.2
137.09639	2.0
143.08577	3.3
144.09315	0.8
145.06529	0.8
145.10117	7.3
147.08063	5.2
147.11696	6.1
149.09653	5.8
149.13248	1.8
151.07481	0.7
151.11201	1.1
155.08650	0.6
156.09325	0.8
157.10170	4.3
159.08070	2.7
159.11745	6.5
161.09647	9.5
161.13264	3.4
163.11188	0.9
163.14827	1.0
165.09126	3.7
169.10158	1.3
170.10837	0.7
171.11734	3.1
173.09700	1.9
173.13280	5.8
175.11205	6.8
175.14816	3.1
177.12805	1.3
181.10057	0.7
183.11693	2.3
184.12529	0.7
185.09671	1.6
185.13258	3.7
187.11192	2.1
187.14853	2.7
189.12772	2.0
189.16357	2.0
191.14406	1.2
195.11633	1.1
197.13342	1.6
199.11205	1.4
199.14819	1.9
201.12753	3.8
201.16437	2.3
203.14336	18.7
203.18094	0.8
205.15892	0.8
207.18030	0.6
209.13229	1.1
211.14844	1.1
213.12514	0.7
213.16400	1.5
215.14368	1.9
215.18005	1.4
217.15894	7.6
219.13741	4.5
225.16537	0.8
227.14232	0.9
229.15909	1.6
230.16936	0.7
231.17476	1.3
243.17538	1.8
251.17995	0.9
253.19495	1.1
255.17589	0.9
257.19183	0.9
269.18985	0.7
327.23389	0.7
403.29984	2.0
421.31076	6.6
439.31952	8.6
457.33139	100.0
458.33502	3.8
463.41983	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	457.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05513	4.4
57.07050	1.5
59.05004	0.8
67.05506	6.2
68.60264	0.7
69.03413	0.8
69.06786	0.5
69.07070	7.1
69.61534	1.2
69.61957	3.7
71.04963	1.1
75.24013	0.8
79.05496	4.9
81.07060	13.7
83.04933	0.9
83.08617	3.2
85.06518	1.1
89.05908	0.6
89.56760	0.7
91.05495	6.0
93.06474	0.7
93.07049	12.0
94.88028	0.6
95.04986	1.2
95.08614	20.9
97.06500	1.1
97.10160	1.5
99.55971	0.6
105.07033	11.5
107.08602	18.9
109.06517	1.6
109.09463	1.2
109.10165	17.6
111.08044	1.7
115.05351	0.6
117.06999	2.3
119.08593	20.6
121.06475	2.1
121.10147	16.9
123.08049	1.9
123.11729	7.3
129.07028	1.5
129.16638	0.7
131.08551	7.4
133.10149	16.4
135.08018	4.7
135.11693	10.0
137.09586	2.0
137.13252	2.4
139.11092	0.7
142.07846	0.6
143.08545	2.2
144.09364	1.0
145.10138	10.6
147.08043	8.7
147.11688	11.2
149.09573	4.0
149.13272	5.7
151.07545	0.8
151.11177	2.3
156.09279	0.8
157.10159	4.1
158.10904	0.7
159.08051	3.4
159.11714	10.1
160.08858	0.8
161.09627	6.6
161.13261	7.9
163.07542	1.3
163.11205	12.4
163.14819	6.6
165.09074	0.9
165.12781	0.7
169.10138	1.2
171.08124	1.0
171.11697	3.8
172.08896	1.0
173.09668	3.8
173.13266	8.3
174.18637	0.7
175.07559	1.2
175.11203	4.9
175.14816	6.0
176.08246	0.7
177.12701	2.5
177.16443	5.5
179.14301	0.7
181.10100	0.9
182.10783	0.8
183.11711	2.3
185.09581	0.9
185.13286	3.1
186.10373	2.2
187.11243	3.6
187.14845	6.6
189.12805	3.3
189.14731	1.0
189.16405	12.1
191.14279	1.1
191.16362	1.0
191.17953	10.2
197.13243	1.7
198.10382	0.8
199.11237	4.7
199.14839	1.6
201.12752	20.1
201.16331	4.2
203.14336	13.0
203.17966	10.7
205.12241	0.7
205.15891	5.8
205.19482	1.6
207.17464	1.7
209.13193	0.7
213.12764	1.5
213.16376	2.5
215.14342	9.5
215.17886	3.7
217.15814	2.0
217.19556	1.8
219.13832	5.2
219.17247	1.5
221.15294	2.4
223.16962	2.8
227.14232	1.8
227.17854	0.8
229.15901	1.2
231.17305	1.5
231.21021	2.0
233.15318	3.9
233.19138	0.8
235.16786	1.8
239.17987	0.8
243.17412	0.8
247.16881	1.0
249.18446	2.8
259.16650	0.8
263.20190	0.6
283.20273	0.8
358.29883	0.7
393.35242	1.5
399.28891	2.2
403.29578	0.9
411.36337	5.2
421.31174	3.8
439.31079	6.5
439.36542	1.6
457.32953	100.0
458.33408	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	457.3313
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
55.05509	2.1
60.35263	0.5
67.05499	2.6
69.07068	2.6
69.47548	3.9
71.04992	0.7
79.05485	3.4
81.07056	4.3
82.81752	0.6
83.08614	1.7
91.05486	3.5
91.33951	0.6
93.07049	6.1
95.04964	1.4
95.08615	7.2
105.07030	9.5
107.08593	9.2
109.06516	1.7
109.10162	5.6
111.08111	0.9
115.05510	0.6
117.07030	1.9
119.08588	9.6
121.06495	2.5
121.10161	6.0
123.08060	1.5
123.11733	1.8
128.06226	0.8
129.06981	1.1
130.78123	0.6
131.08557	5.0
133.06514	3.4
133.10126	5.6
135.08060	50.7
135.11688	2.0
136.34230	0.7
137.09714	0.6
141.07005	0.6
142.07713	1.0
143.08583	3.0
145.10152	6.6
147.08066	4.6
147.11678	4.9
149.09634	4.9
149.13266	1.3
150.05669	0.6
151.11154	1.1
155.08578	1.2
156.09337	1.3
157.10161	4.0
159.08075	1.0
159.11685	5.5
161.09631	8.8
161.13281	1.4
163.11150	1.1
169.10144	2.0
170.10989	0.8
171.11678	3.0
173.09633	1.6
173.13312	2.7
175.11191	5.8
175.14832	2.0
177.12805	1.4
183.11717	2.7
185.09628	0.9
185.13263	3.6
187.11189	1.7
187.14853	2.7
189.12814	2.4
189.16405	1.0
190.01291	0.6
191.14267	1.0
193.10373	0.7
193.12331	0.7
195.11710	0.7
197.13205	1.4
199.14867	1.9
201.12796	2.6
201.16479	1.5
203.14326	18.7
205.15854	1.1
209.13338	0.9
211.14902	1.3
213.12737	0.7
213.16319	1.5
215.14351	1.9
215.18141	0.6
217.15901	6.4
219.13850	2.1
219.17522	0.7
227.14449	0.7
227.18028	0.9
229.15990	1.0
231.17500	1.4
241.15936	0.7
255.17406	0.9
267.17343	0.8
269.18939	0.9
273.74329	0.7
391.30283	0.8
403.29874	1.9
421.30881	4.6
439.32123	5.6
457.33151	100.0
458.33600	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	457.3313
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
55.05508	1.5
57.03442	0.7
64.33279	0.6
67.05511	2.9
69.07066	1.8
70.60916	1.0
70.61302	1.8
79.05496	1.9
81.07056	4.1
83.04976	0.8
83.08640	0.9
91.05481	4.2
92.70218	0.6
93.07050	5.2
95.04986	0.9
95.08611	6.3
97.06528	0.8
99.08110	1.4
105.07035	8.2
105.35505	0.6
107.04965	0.9
107.08608	6.2
109.06517	1.4
109.10171	4.8
111.08044	1.1
117.07027	1.7
119.08588	8.4
121.06509	2.0
121.10143	4.7
123.08109	1.1
123.11701	1.4
131.08595	3.9
133.06499	5.5
133.10143	6.3
135.08061	31.0
135.11711	2.2
137.09619	1.2
142.07793	1.1
143.08580	2.2
144.09319	0.6
145.10139	5.3
147.08058	4.4
147.11687	3.7
149.09625	4.9
149.13301	1.0
151.11266	1.1
155.08592	0.7
156.60271	0.6
157.10110	2.9
159.08075	1.3
159.11731	4.7
160.08884	0.7
161.09634	7.3
161.13292	1.6
163.11195	1.0
163.14894	0.8
165.09177	1.7
169.10172	1.3
170.10957	0.6
171.11742	2.4
173.09668	1.2
173.13295	3.2
175.11165	8.0
175.14835	2.1
177.12761	1.0
183.11700	1.8
185.13274	2.6
187.11066	0.7
187.14841	1.1
188.11951	0.6
189.12753	3.1
189.16399	1.5
191.14445	0.6
199.11249	0.6
199.14854	0.9
201.12769	2.7
201.16435	0.9
203.14340	13.0
205.15855	1.1
209.13464	0.9
213.12642	0.7
213.16389	1.1
215.14284	1.0
215.17932	0.7
217.15912	8.3
219.13803	1.1
229.19659	0.7
231.17465	1.2
253.19572	0.5
257.18948	0.6
269.19113	0.9
351.23001	0.7
421.30814	1.6
439.32031	2.0
457.33151	100.0
458.33475	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	457.3314
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
54.55552	0.6
55.05504	1.5
65.22574	0.6
67.05489	2.6
69.07056	1.3
69.49329	2.0
69.49756	3.0
79.05482	2.8
81.07053	4.4
83.04976	2.2
83.08620	0.9
91.05487	3.2
93.07048	3.9
95.04997	1.3
95.08614	7.4
105.07049	7.4
107.04974	1.0
107.08598	6.8
109.06529	1.0
109.10149	3.5
114.95087	0.6
115.05414	0.7
117.07034	1.7
119.08599	8.4
121.06516	2.0
121.10162	4.0
123.08081	1.7
125.09680	0.8
129.06998	1.5
131.08574	3.7
133.06516	4.5
133.10126	5.2
135.08073	30.1
135.11702	1.6
137.09692	0.8
142.07869	0.9
143.08572	2.1
144.98097	0.6
145.06477	0.7
145.10139	5.5
146.07256	0.7
146.10568	0.6
147.08049	4.4
147.11705	3.7
149.09627	4.0
149.13173	0.8
151.11176	0.7
157.10143	2.8
159.08083	0.9
159.11702	4.5
161.09637	9.7
161.13249	1.6
163.11241	0.7
165.09120	0.8
169.10143	1.5
170.10936	0.6
171.08098	1.0
171.11766	1.8
173.09676	1.5
173.13281	3.3
174.10336	0.7
175.11211	9.0
175.14844	1.9
177.12804	1.7
183.11739	1.8
185.13248	1.4
187.11263	1.4
187.14862	1.6
189.12802	2.8
189.16406	1.4
191.14386	0.8
197.13152	0.9
199.14900	1.3
201.12830	1.8
201.16411	1.1
203.14346	14.9
209.13350	0.6
211.14795	1.0
213.16440	1.5
215.14482	0.7
217.15910	7.5
219.13864	1.4
229.15829	1.4
243.17604	0.8
257.19064	1.2
391.30017	0.7
403.29810	1.3
421.31210	2.3
439.32248	3.0
457.33176	100.0
458.33444	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.2
69.03427	5.8
69.07058	1.9
71.14698	1.5
71.30021	3.2
79.05489	5.5
80.50195	1.7
81.07060	6.5
85.02895	1.9
87.00806	1.9
91.05452	4.5
93.07041	2.2
105.07034	6.9
107.04972	1.9
107.08600	15.0
109.02914	1.8
109.06536	2.3
109.10162	6.1
119.08575	3.3
121.10162	11.2
122.07291	4.7
127.03928	2.0
129.01852	1.6
133.10141	100.0
135.08084	7.6
135.11659	1.7
137.09630	46.2
147.11732	2.3
149.13255	9.5
156.29488	1.4
173.13277	3.1
191.14331	45.7
196.36771	1.6
209.15355	2.8
296.22491	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	457.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.2
55.57714	4.1
59.04993	8.0
63.28743	3.6
67.05174	4.7
67.05513	74.0
69.03427	9.4
69.07068	5.0
70.06588	13.8
71.04998	55.4
71.15569	7.5
75.04444	4.0
81.07058	11.4
83.08634	10.7
83.53832	3.5
85.02901	9.5
85.06551	4.3
87.04492	6.5
97.02896	10.3
109.10166	85.1
115.03934	5.6
127.11198	15.4
130.47266	3.4
133.04948	5.0
145.12242	100.0
163.13292	86.0
203.48999	3.7
231.95789	3.3
248.44952	3.7
255.46065	3.4
279.17935	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	457.3312
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
53.03947	0.8
53.82048	0.6
54.48375	0.6
55.05525	3.0
60.47805	0.6
65.25579	0.6
67.05508	3.9
69.03423	1.3
69.07069	2.5
70.22902	1.2
70.23309	1.7
79.05505	4.2
81.07069	6.5
83.04984	0.8
83.08635	1.4
91.05482	5.5
93.07055	7.0
95.04960	1.1
95.08619	9.9
97.06566	1.8
105.07047	12.2
107.04948	0.9
107.08607	13.1
109.06525	1.5
109.10176	7.1
111.08152	1.3
117.07001	1.5
119.08582	13.6
121.06516	2.9
121.10144	7.2
123.08080	2.0
123.11727	2.1
129.07033	1.7
131.08542	5.4
133.06532	7.5
133.10155	9.9
135.08069	36.5
135.11694	2.3
137.09604	1.1
142.07806	0.7
143.08580	3.6
145.10153	7.2
147.08064	6.9
147.11696	5.9
149.09660	4.7
149.13220	1.2
151.11203	1.0
153.09132	0.8
156.09320	0.8
157.10172	3.6
159.08075	2.6
159.11726	5.6
161.09639	12.3
161.13261	3.0
163.11189	0.9
169.10130	2.1
170.10950	0.9
171.11760	4.1
173.09682	2.0
173.13322	4.2
174.10544	0.9
175.11197	10.3
175.14763	3.0
177.12799	1.5
183.11754	1.6
185.13300	3.4
187.11252	1.5
187.14854	2.6
189.12788	4.6
189.16422	2.3
191.14326	1.2
193.12308	0.9
197.13293	1.4
199.14883	1.6
201.12776	2.2
203.14342	18.2
203.16161	1.2
203.18179	0.7
205.15945	0.8
209.13235	0.9
211.14886	1.5
213.16422	1.6
215.14388	1.6
217.15915	10.2
219.13821	1.9
225.12946	0.9
225.16461	0.8
227.17902	0.9
231.17485	1.1
243.17549	1.2
325.92850	0.7
333.22031	0.7
391.76254	0.6
403.30176	1.3
414.27939	0.8
421.30960	2.9
439.32190	2.7
457.33182	100.0
458.33551	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77283	3.4
65.66068	3.4
69.67206	9.8
69.67621	11.7
74.46479	2.9
77.80741	3.4
79.79073	3.4
81.07040	3.7
107.08598	17.2
109.10163	5.2
121.10151	9.7
122.07219	4.2
133.10135	100.0
135.08038	8.0
137.09633	45.2
149.13225	8.3
169.90034	3.5
173.13283	4.3
187.02615	3.4
191.14313	43.1
209.15488	5.3
249.71680	3.7
304.52158	3.6
310.38440	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01874	1.8
55.05507	5.2
61.02950	1.6
66.22980	1.5
67.05510	16.6
69.03422	6.6
69.07061	6.4
69.47217	12.9
71.04989	8.3
73.02953	2.0
79.05495	5.6
81.03414	4.5
81.07066	18.3
83.04959	2.5
83.08610	2.2
85.02908	12.1
85.06544	2.5
87.00814	2.9
91.05466	10.5
93.07053	20.4
95.04970	13.0
95.08078	2.0
95.08605	13.0
97.02892	3.2
97.06519	3.2
97.10157	4.4
99.04452	1.6
99.08096	2.6
103.05494	2.0
105.07045	25.6
107.08611	21.4
109.02897	5.6
109.06504	15.0
109.10152	22.8
110.10462	2.1
111.08082	5.2
117.07018	2.4
119.08580	18.5
121.06519	2.1
121.10161	18.2
123.08060	5.1
123.11700	4.2
127.03926	6.0
131.05051	2.1
131.08586	15.8
133.10146	18.0
135.08058	8.1
135.11679	2.5
137.09630	2.9
143.08524	3.6
145.10132	5.7
147.08054	2.4
147.11681	15.3
149.09641	13.4
149.13271	12.0
151.11179	24.9
155.08447	1.8
158.10904	1.9
159.02928	1.7
159.11809	2.3
161.13249	19.0
163.03886	2.6
163.11082	2.4
163.14819	5.7
165.09158	9.8
173.13274	20.8
175.11191	1.9
175.14795	2.0
179.14316	16.0
191.14320	64.8
209.15379	100.0
210.15729	3.3
253.11577	1.8
399.15939	2.1
439.31924	2.5
457.20627	2.7
457.33109	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95310	0.9
55.01888	1.7
55.05518	8.1
57.07071	2.8
58.18508	1.0
59.04998	1.8
64.08253	1.0
67.05170	1.6
67.05510	21.8
69.03436	13.5
69.07070	13.4
69.91930	3.9
71.04992	3.1
79.05498	5.4
81.01100	1.0
81.03389	1.4
81.07063	19.8
83.04993	14.6
83.08630	6.4
85.02932	1.3
85.06555	2.1
87.00845	2.2
91.04978	0.9
91.05482	5.9
93.07050	13.3
95.04981	2.8
95.08615	34.3
97.02906	17.3
97.06527	2.4
97.10165	2.1
99.08130	2.1
101.02398	2.6
105.01882	1.3
105.07030	10.3
107.08599	26.3
108.28095	0.9
109.06526	8.8
109.10162	100.0
110.10486	1.1
111.08105	3.6
113.09648	1.7
115.03957	1.7
117.07039	1.5
117.19515	0.9
119.08593	41.0
121.10159	18.1
123.08078	17.1
123.11713	8.3
125.02352	6.5
125.09652	1.6
127.03938	2.1
131.08528	1.6
133.10133	24.2
135.08083	2.7
135.11703	93.4
137.09633	18.6
138.10349	2.0
139.11183	2.8
143.03424	3.2
145.10127	2.5
147.11674	4.0
149.09630	1.1
149.13243	7.8
151.11188	7.5
151.14821	10.4
153.12770	1.9
159.11728	1.7
161.04498	1.0
161.09743	1.1
161.13254	1.9
162.02780	1.1
163.03947	1.6
163.14838	1.2
165.09113	2.6
165.16364	2.5
173.13286	2.8
175.14841	43.1
187.14894	2.5
189.16449	2.1
191.14249	2.0
193.15898	77.4
194.16226	1.3
201.16414	1.7
203.14450	1.3
211.16936	29.8
212.16885	1.0
213.16252	1.0
215.18031	2.9
227.17940	1.6
231.17470	1.3
239.16408	18.0
239.18671	1.2
240.24709	1.0
260.22202	1.0
261.18430	1.3
351.87961	1.1
375.30295	1.5
393.31653	3.0
395.20776	1.1
411.32382	1.5
412.53967	0.9
421.18564	1.7
421.30676	1.1
439.32047	1.7
457.20111	1.4
457.33194	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
54.14897	4.9
54.57151	4.1
57.98171	5.1
59.13235	4.6
67.05518	6.9
68.99789	4.8
69.03431	20.4
69.45650	28.8
69.46075	14.3
79.05492	12.0
81.03401	16.0
81.07052	9.3
83.04982	5.0
85.02889	19.4
85.71136	4.9
87.00824	9.2
87.10783	4.5
91.05458	8.0
93.07064	7.0
95.04955	6.4
95.08582	6.7
97.02880	6.9
98.43812	4.4
105.01891	5.4
105.07025	10.6
107.08601	18.7
109.02891	7.2
109.06500	9.4
109.10168	9.2
119.08589	5.4
121.10149	17.5
123.08090	6.1
127.03931	16.2
133.06505	46.7
133.10150	71.8
134.06798	28.8
135.07138	11.4
135.08076	13.6
137.09615	49.8
147.11690	6.6
149.09645	9.8
149.13263	11.1
151.11226	22.0
163.04073	6.6
165.12769	35.0
173.13188	6.1
180.57440	4.7
189.12825	9.3
190.13100	5.8
191.14403	46.7
192.14687	14.6
193.14932	8.5
207.13768	6.2
208.14212	5.2
209.15399	100.0
313.34531	5.4
329.71777	4.8
335.90079	4.7
366.58856	4.6
457.33298	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	457.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73766	1.1
53.03938	2.7
54.19932	1.3
55.01873	1.9
55.05507	5.5
55.17162	1.1
57.03417	1.9
59.05002	1.3
60.35779	1.1
65.03941	1.3
66.23483	1.4
67.05517	9.3
68.85988	1.2
69.03432	5.8
69.07085	6.7
70.81027	3.6
71.04974	1.6
78.04712	3.9
79.05495	13.6
81.03421	3.6
81.07066	17.0
83.04997	3.6
83.08620	2.5
85.02923	1.7
87.00849	1.2
89.03848	1.8
90.75981	1.4
91.05485	10.5
93.07052	11.8
95.04969	5.5
95.08611	20.0
97.02904	6.2
97.06532	2.7
97.10186	1.4
99.04452	1.7
99.08106	1.6
103.05483	3.6
105.07031	20.8
107.04964	16.6
107.08589	15.7
109.02842	1.4
109.06505	1.8
109.10171	17.7
111.08112	4.8
115.05458	4.0
117.07005	2.6
118.04182	1.8
119.04986	2.8
119.08587	20.1
121.06509	6.5
121.10159	11.3
123.04461	8.7
123.08051	4.1
123.11713	4.1
124.05212	4.5
125.02312	2.2
125.06060	3.1
125.09675	1.9
126.24584	1.5
127.03887	1.9
128.06238	4.9
129.07076	1.6
130.04137	2.5
131.04944	8.1
131.08574	5.6
132.05682	2.1
133.06483	5.3
133.10156	16.5
135.04431	2.3
135.08047	4.4
135.11694	11.1
137.05980	1.8
137.09625	16.6
137.13266	1.8
138.10439	2.2
139.11188	1.3
141.06992	1.6
143.08601	4.2
145.10175	7.5
147.04451	3.1
147.08107	3.3
147.11678	8.7
148.05139	1.3
149.05991	1.9
149.09627	3.9
149.13272	6.5
151.03923	3.2
151.11208	2.0
152.04707	3.1
156.05765	1.8
157.10092	3.9
159.08040	2.9
159.11713	5.2
161.06009	4.4
161.09625	4.7
161.13269	5.8
163.03926	9.1
163.11198	4.5
163.14842	4.8
165.09135	33.8
165.12746	2.9
167.07057	100.0
171.08055	3.1
171.11729	2.6
173.13252	2.9
175.11266	1.7
175.14865	11.7
176.04836	2.2
177.09146	1.4
177.16467	3.2
179.07126	1.7
179.08582	1.6
183.11671	1.5
184.05231	4.7
185.05896	1.7
185.13254	3.0
187.07497	2.1
187.14870	4.4
189.07028	2.7
189.12740	5.2
189.16370	2.1
190.07811	5.2
191.07024	24.6
191.08557	2.3
191.14313	4.9
191.17986	2.3
193.15851	16.9
199.07567	27.0
199.14844	2.3
201.12706	1.9
201.16443	1.9
202.07838	2.7
203.08650	5.9
203.10490	1.6
203.14349	4.1
203.17975	12.5
205.10219	2.7
205.12280	3.1
207.08142	1.4
207.13997	1.4
211.16904	11.3
215.08543	6.8
215.14273	2.5
218.07292	7.3
219.08046	5.2
222.10258	1.4
231.08067	3.7
231.21074	1.6
232.08838	4.5
233.09645	14.6
234.22247	1.3
235.07608	5.3
236.87509	1.3
239.16507	2.6
243.08131	3.6
245.06197	1.4
246.06732	5.6
247.07538	4.3
249.09134	2.9
250.06223	1.5
250.09853	2.7
259.07440	2.4
260.08337	5.0
261.09143	18.1
262.09888	3.0
263.07062	3.5
264.07504	1.4
273.09097	1.8
274.06311	3.5
275.06967	3.8
277.08743	3.4
278.09424	4.6
279.10104	1.8
289.08591	25.3
290.09506	7.6
291.06635	2.0
291.10074	2.8
293.11932	6.0
295.06024	2.2
303.10083	2.0
306.08960	5.2
307.09711	4.8
321.11237	50.6
321.15002	2.5
322.11923	4.5
323.09229	1.6
325.14377	2.0
338.11514	2.8
353.13846	18.0
399.25064	1.3
421.31171	2.5
439.32150	4.0
457.09412	1.8
457.33121	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	457.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.8
51.10891	0.6
55.01870	0.7
55.05500	1.9
63.02368	0.9
65.03933	2.4
66.92897	0.6
67.05506	4.0
68.32639	0.6
69.03433	3.6
69.07058	2.2
69.49477	5.2
71.04991	0.7
79.05495	3.3
81.03399	2.1
81.07066	4.4
83.04980	1.2
85.02922	1.5
87.00848	0.9
87.97484	0.7
89.03926	11.4
91.05489	20.2
93.03395	1.3
93.07050	2.4
95.04981	1.0
95.08633	5.8
97.02903	2.8
97.06493	0.9
98.21508	0.8
99.08102	0.9
105.07056	4.1
107.04964	3.3
107.08603	4.1
109.02916	1.0
109.06512	2.1
109.10168	12.9
111.04475	1.3
111.08083	0.9
115.05487	0.7
117.03392	12.0
117.04187	0.4
119.04909	1.0
119.08593	7.1
121.10156	2.3
123.04431	2.4
123.08092	3.8
123.11665	1.8
125.09613	0.7
127.03939	1.8
127.42942	0.6
128.06207	1.3
129.07005	1.5
131.04982	0.6
131.08578	1.6
133.06534	0.8
133.10138	4.2
135.03387	1.3
135.04425	24.3
135.08067	1.6
135.11700	10.9
137.09634	3.6
137.89671	0.7
139.03922	0.9
139.11201	1.0
142.07698	0.7
143.08517	1.3
145.02855	14.5
145.10094	1.0
147.11670	2.0
149.09674	1.2
149.13326	1.1
151.11276	1.2
151.14845	1.3
154.08713	0.8
155.91187	0.6
157.06522	1.0
157.10123	2.5
159.11751	1.4
161.06020	1.4
163.03917	100.0
164.04285	1.4
165.09122	6.4
167.08575	2.0
173.13252	1.3
175.07588	1.0
175.14807	4.4
179.03300	0.9
181.05031	1.7
182.26370	0.7
183.08080	1.0
184.05191	1.1
185.09642	2.4
185.13319	0.9
187.07506	1.6
187.14932	0.9
189.09135	0.8
191.03459	1.1
191.14371	2.5
193.15898	8.2
195.08069	3.9
197.09534	1.1
201.05504	0.7
201.09114	1.1
203.10637	0.9
205.04951	0.9
205.12285	1.0
209.15417	1.1
211.07495	1.4
211.16960	6.1
213.09131	7.1
215.03491	0.8
217.08527	0.8
229.08653	1.3
231.10205	2.4
233.04463	1.8
237.07556	1.0
239.07050	1.1
239.16434	1.0
241.08624	2.5
245.04684	0.8
257.04510	0.9
257.08194	2.8
259.09705	2.7
277.10742	1.2
279.10193	1.8
293.08096	2.1
295.06168	1.1
307.09583	0.9
311.09363	0.7
317.08047	1.6
325.07712	0.7
335.09137	10.2
340.64917	0.7
353.10202	2.9
393.12912	0.8
439.10336	1.1
457.20767	1.8
457.33344	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	457.1475
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
55.05493	2.8
56.13012	2.6
56.96553	3.1
61.93416	2.5
67.05497	3.6
68.96556	2.8
69.03422	3.3
69.55830	16.9
70.06589	7.9
70.24353	2.4
81.03427	2.9
81.07076	4.2
82.32251	2.6
84.08145	3.5
85.02889	6.3
86.09715	8.1
91.05499	4.3
93.07061	4.1
94.54048	3.2
95.08608	4.4
97.02880	4.4
98.97588	13.5
105.07040	3.9
107.08601	5.0
109.10136	4.7
116.98601	5.9
119.08586	4.7
121.10156	3.6
127.03880	3.2
131.00235	4.4
131.04968	3.0
131.08594	5.0
136.48724	2.6
147.04460	4.7
149.09605	9.8
150.26071	2.8
159.11792	3.9
163.03917	5.0
177.00676	3.3
189.76253	2.5
191.02257	6.4
191.14285	4.5
209.15363	7.4
219.01746	4.3
269.10654	3.5
277.17755	4.4
293.10629	2.7
302.04160	2.6
342.71033	2.3
413.15942	7.5
457.14667	100.0
457.24051	60.8
457.33286	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	457.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98022	4.3
53.03944	7.5
55.05503	8.4
57.03432	6.0
67.05508	11.1
69.03436	21.6
69.07063	5.1
69.81576	23.8
70.06593	9.9
71.04987	5.8
73.02930	5.1
78.90074	4.0
79.05488	10.8
81.03423	15.3
81.07046	15.4
83.04978	6.8
84.08144	12.4
85.02912	27.0
85.06551	6.4
86.09702	6.8
87.00816	9.8
91.05482	12.8
93.07040	24.5
95.04967	4.6
95.08601	17.2
97.02904	12.3
97.06553	5.0
98.97598	23.7
99.04465	5.6
99.08099	4.1
101.06018	4.8
105.07025	22.5
107.04919	8.4
107.08607	20.6
109.02891	14.2
109.10146	8.4
116.98623	6.4
117.07042	14.6
119.08578	24.7
121.10154	22.0
123.08120	4.7
127.03933	22.4
128.06276	4.3
128.98727	4.0
129.56740	3.8
131.00197	5.3
131.08578	15.9
133.10132	20.8
134.99649	5.0
135.08075	7.9
135.11687	6.7
137.09615	5.5
138.88144	3.6
142.08670	4.2
143.08548	9.1
145.04980	7.5
145.10136	10.0
147.11771	9.1
149.06027	5.5
149.09624	67.9
149.13266	12.1
151.11185	6.9
157.10097	8.9
159.02907	7.5
159.11772	6.9
161.13258	17.8
163.03935	9.7
163.07663	6.6
163.14821	9.7
165.04242	5.0
165.12782	4.0
173.13303	22.1
173.14563	4.1
175.14839	7.3
177.00771	10.7
179.14345	7.2
191.14340	40.3
193.15952	7.1
203.14384	4.6
209.15358	44.4
215.14258	4.1
219.01729	5.5
231.05089	5.5
303.01321	11.0
363.59833	4.2
371.13647	13.4
413.15103	13.0
457.14758	100.0
457.24048	25.3
457.33160	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	456.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01872	2.3
55.05505	2.4
56.58505	0.7
57.03435	1.9
57.07078	15.0
59.05004	100.0
61.02918	1.8
67.05500	2.9
69.03439	10.5
69.07066	3.0
71.04994	1.8
71.59469	1.3
73.02926	1.6
79.05495	2.5
81.03423	7.5
81.07047	3.0
82.07354	0.8
82.25731	1.0
83.04983	2.3
83.08575	1.0
85.02908	17.4
86.09711	2.4
87.00835	8.7
91.05494	3.0
93.07056	3.4
94.07367	1.1
95.08622	3.8
97.02898	8.1
97.06532	4.6
97.10178	2.2
98.06860	1.4
99.04460	3.0
99.08101	1.6
100.02173	1.4
101.09668	1.0
103.05531	1.2
105.01858	6.0
105.07023	3.4
107.04926	1.0
107.08562	4.3
108.08908	0.9
109.02885	6.2
109.06483	1.1
109.10160	4.8
111.08102	1.7
115.11215	31.3
117.01866	1.1
117.06877	0.9
117.09155	1.6
119.08591	10.0
119.12608	0.8
120.08953	1.3
121.06497	0.9
121.10175	1.9
122.06765	1.0
122.10400	0.9
123.08086	1.2
125.02364	0.8
127.03916	8.6
131.04956	2.9
131.08630	1.7
133.10184	4.1
134.10509	1.2
135.04398	0.8
135.08037	1.1
135.11682	3.2
137.09618	2.8
137.13206	0.9
145.02834	0.9
145.04993	3.3
145.10101	1.7
146.02711	1.6
146.10489	1.5
147.11710	2.4
148.12036	0.9
149.09595	1.0
159.02934	1.9
159.08131	0.9
159.11685	1.7
161.13310	1.2
163.03935	3.8
164.04070	1.1
165.09172	1.0
167.07085	4.8
173.13222	1.0
173.15379	6.6
174.13600	1.1
175.14809	5.3
185.13286	1.3
186.13597	1.0
189.12813	1.0
191.07024	1.6
191.14650	2.3
191.16426	58.3
192.14687	2.4
192.16710	0.9
193.15881	2.9
203.14264	0.9
207.13846	1.5
208.07840	1.2
208.14127	1.4
209.15317	1.1
211.17007	2.5
212.26270	0.8
219.13795	1.0
231.05046	2.2
239.16470	1.4
303.46033	0.8
321.11340	1.3
399.39499	0.9
438.30777	1.3
456.15955	1.6
456.23627	2.4
456.31909	5.9
457.33228	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	456.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01872	2.3
55.05505	2.4
56.58505	0.7
57.03435	1.9
57.07078	15.0
59.05004	100.0
61.02918	1.8
67.05500	2.9
69.03439	10.5
69.07066	3.0
71.04994	1.8
71.59469	1.3
73.02926	1.6
79.05495	2.5
81.03423	7.5
81.07047	3.0
82.07354	0.8
82.25731	1.0
83.04983	2.3
83.08575	1.0
85.02908	17.4
86.09711	2.4
87.00835	8.7
91.05494	3.0
93.07056	3.4
94.07367	1.1
95.08622	3.8
97.02898	8.1
97.06532	4.6
97.10178	2.2
98.06860	1.4
99.04460	3.0
99.08101	1.6
100.02173	1.4
101.09668	1.0
103.05531	1.2
105.01858	6.0
105.07023	3.4
107.04926	1.0
107.08562	4.3
108.08908	0.9
109.02885	6.2
109.06483	1.1
109.10160	4.8
111.08102	1.7
115.11215	31.3
117.01866	1.1
117.06877	0.9
117.09155	1.6
119.08591	10.0
119.12608	0.8
120.08953	1.3
121.06497	0.9
121.10175	1.9
122.06765	1.0
122.10400	0.9
123.08086	1.2
125.02364	0.8
127.03916	8.6
131.04956	2.9
131.08630	1.7
133.10184	4.1
134.10509	1.2
135.04398	0.8
135.08037	1.1
135.11682	3.2
137.09618	2.8
137.13206	0.9
145.02834	0.9
145.04993	3.3
145.10101	1.7
146.02711	1.6
146.10489	1.5
147.11710	2.4
148.12036	0.9
149.09595	1.0
159.02934	1.9
159.08131	0.9
159.11685	1.7
161.13310	1.2
163.03935	3.8
164.04070	1.1
165.09172	1.0
167.07085	4.8
173.13222	1.0
173.15379	6.6
174.13600	1.1
175.14809	5.3
185.13286	1.3
186.13597	1.0
189.12813	1.0
191.07024	1.6
191.14650	2.3
191.16426	58.3
192.14687	2.4
192.16710	0.9
193.15881	2.9
203.14264	0.9
207.13846	1.5
208.07840	1.2
208.14127	1.4
209.15317	1.1
211.17007	2.5
212.26270	0.8
219.13795	1.0
231.05046	2.2
239.16470	1.4
303.46033	0.8
321.11340	1.3
399.39499	0.9
438.30777	1.3
456.15955	1.6
456.23627	2.4
456.31909	5.9
457.33228	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	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72729	1.2
53.03956	1.3
55.05510	11.6
57.07082	8.0
65.03925	1.6
66.74284	1.2
67.05169	1.9
67.05508	28.3
69.07068	18.2
70.98842	1.8
70.99200	2.8
71.08614	2.0
76.09815	1.2
79.05498	16.5
80.90733	1.3
81.07060	62.3
81.95106	1.2
83.04968	1.6
83.08622	12.2
91.05485	12.8
93.07050	31.6
95.04969	2.7
95.08614	100.0
97.06493	1.7
97.10168	9.2
105.06370	2.4
105.07032	24.3
107.08601	44.4
109.06512	3.1
109.10164	51.1
111.08043	2.0
111.11752	1.8
114.45228	1.5
117.07039	3.3
119.08588	80.8
120.08947	1.4
121.10149	33.3
123.08041	2.7
123.11716	34.2
125.05965	1.6
125.09649	3.4
128.06157	1.5
129.07004	3.7
131.08566	13.8
133.10143	27.5
135.08076	6.1
135.11702	25.8
137.09645	1.7
137.13260	34.2
139.07532	1.9
139.72969	1.3
143.07574	1.2
143.08545	7.7
145.09036	2.3
145.10132	37.2
147.08017	1.4
147.11691	20.5
149.09654	2.2
149.13274	14.0
151.07510	4.4
151.11208	1.4
151.14821	1.6
155.08498	1.4
156.09288	2.1
157.10182	11.1
158.10808	2.0
159.11696	23.7
160.12305	1.8
161.09666	2.8
161.13272	16.7
163.07532	9.9
163.14839	15.9
165.09113	3.8
169.10068	6.2
170.10939	1.9
171.11746	10.2
173.09650	2.6
173.13263	22.3
175.14847	11.1
177.09100	2.8
177.15025	1.8
177.16360	8.6
179.14310	2.4
179.17961	7.5
183.11717	3.6
183.23666	1.4
185.13194	6.3
187.14841	32.5
189.12688	2.0
189.16377	14.5
191.10574	1.7
191.17963	45.2
196.12524	1.6
197.13271	3.7
199.14781	11.7
201.16383	28.6
203.14244	2.6
203.17979	23.0
205.12180	1.9
205.15823	2.1
205.19504	3.4
207.17470	2.4
211.14830	9.4
213.16399	21.5
215.14322	5.1
215.17957	6.1
217.19597	8.1
219.13799	1.6
219.17426	3.8
227.17932	4.7
229.15906	17.2
229.19412	6.2
231.17459	5.8
231.21069	2.1
233.15350	5.2
239.14467	1.9
239.17902	2.1
241.19550	2.4
243.21080	2.2
245.15198	2.2
247.16948	10.8
255.21101	2.3
257.15430	6.3
259.16931	8.0
269.22552	1.7
273.18509	1.9
275.16373	8.1
275.19592	2.3
276.70642	1.3
277.17950	3.7
287.20016	1.8
301.21597	1.6
327.23062	1.7
391.33554	10.2
393.35165	1.9
409.34720	24.9
437.34357	23.6
455.30823	6.1
455.35257	11.4
456.35587	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	455.3523
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05507	2.8
56.91753	1.7
57.07067	5.1
66.55357	1.6
67.05498	4.7
68.43845	1.5
69.07057	6.5
71.60640	2.7
71.61004	2.1
72.04542	2.0
74.29704	1.6
77.19955	1.5
79.05507	2.0
80.48239	1.8
81.07071	10.3
83.08643	2.4
91.05507	2.7
93.07057	8.5
94.78288	1.6
95.04972	4.0
95.08615	12.6
97.10197	2.2
105.07043	5.8
107.08604	14.0
109.06553	2.8
109.10136	5.9
119.08589	8.5
121.06528	2.1
121.10158	15.5
123.08031	3.7
123.11678	3.5
133.10149	7.5
135.08119	2.4
135.11691	4.6
137.09645	2.0
137.13289	2.3
143.08580	1.8
145.10138	4.2
147.11696	4.3
149.13271	96.1
159.11671	4.1
161.09641	2.1
161.13345	2.5
163.11192	2.1
163.14867	4.7
172.50429	1.8
173.13206	3.2
183.11658	1.8
185.13315	2.8
187.14845	2.9
191.14304	33.5
213.16383	2.1
231.13811	3.6
245.18935	2.5
299.20139	5.1
419.32986	3.8
437.34219	100.0
438.34528	4.9
455.35266	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	455.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.0
55.05508	9.6
57.07062	3.5
63.01519	2.7
66.28899	2.8
67.05516	18.4
69.07070	19.5
69.46215	15.2
69.46616	5.8
75.47772	3.1
76.99684	3.3
79.05495	11.3
81.07067	29.1
83.08608	10.8
87.69666	3.1
90.54443	2.7
91.05492	17.7
93.07054	29.5
95.08615	52.2
97.06550	3.7
97.10157	3.4
105.07033	37.7
107.08601	53.0
109.06544	4.5
109.10161	39.0
111.08085	4.7
115.94706	3.1
117.06985	3.9
119.08594	72.2
121.10155	43.8
123.08026	4.7
123.11700	12.6
125.09653	3.3
131.08568	12.4
133.10152	50.4
135.07986	7.2
135.11699	17.2
137.09615	4.1
139.11163	3.0
143.08562	3.2
145.10135	42.8
147.11716	37.1
149.13274	21.5
152.83264	3.1
153.09106	6.7
157.10130	5.6
159.08107	3.4
159.11720	37.7
161.05901	2.8
161.13266	33.2
163.11189	8.1
163.14828	28.6
171.11668	5.0
173.13298	16.0
175.11142	3.7
175.14853	22.3
177.16434	25.5
187.14848	47.8
189.16406	70.8
191.17882	14.7
201.16356	21.8
203.14316	3.7
203.17969	100.0
205.15871	48.2
205.19478	5.0
207.17482	14.0
213.16383	12.0
215.17946	8.4
217.19536	4.9
219.17451	4.9
221.19049	3.9
223.17172	3.4
227.17862	3.2
229.19458	4.0
231.17448	4.0
247.16904	3.0
249.18506	15.1
261.18253	4.6
358.76193	3.2
391.33508	10.4
409.29578	4.1
409.34714	61.3
413.90308	3.0
437.34412	39.9
444.68213	2.9
455.30576	27.4
472.23071	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	455.3523
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05513	9.0
57.07079	3.6
67.05508	12.6
69.07076	10.2
69.26285	7.0
69.26716	10.9
71.08621	1.7
79.05495	7.7
81.07066	24.2
83.08621	8.1
83.42339	1.7
88.07624	4.5
91.05476	7.8
93.07059	23.6
93.34435	1.9
95.08053	2.9
95.08618	43.1
97.10161	4.0
98.20672	4.0
98.21341	7.0
105.06508	1.5
105.07047	19.0
107.07877	2.0
107.08604	42.0
109.10160	26.6
111.08069	3.2
119.08592	42.7
119.09448	2.7
121.10152	33.8
123.08071	2.9
123.11735	11.3
125.09653	3.8
127.11179	2.4
131.08546	4.8
133.10141	34.1
135.08035	3.2
135.11696	15.1
137.09605	3.1
137.13234	3.0
143.08578	2.3
145.10132	11.0
147.11713	23.4
147.12804	3.0
149.09604	4.4
149.13271	11.1
151.11220	2.5
153.09067	3.3
157.10162	2.8
159.11656	9.2
161.13283	16.1
163.11201	35.0
163.14804	12.6
165.09184	2.2
165.12740	2.1
167.10681	1.9
169.10130	1.9
173.13290	6.8
175.11266	1.7
175.14838	14.5
177.16388	16.1
185.13261	2.9
187.14861	15.6
189.16397	16.9
191.17924	6.7
201.16379	8.6
203.14343	1.7
203.17978	55.3
205.15897	100.0
205.19516	6.5
206.16278	1.7
207.17505	14.3
213.16386	3.4
215.17955	5.5
218.50272	1.7
219.17407	2.5
221.19038	3.6
225.16382	2.4
229.19527	2.8
245.18954	2.3
247.17023	2.8
247.20445	2.5
249.18538	10.0
261.18423	2.9
263.11047	1.9
281.22476	1.8
283.24088	4.1
313.25143	4.7
329.24603	2.8
391.33569	4.4
409.34665	51.5
410.35013	2.1
419.32736	2.2
437.34271	10.9
455.35318	23.8
455.45346	2.8
456.43900	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	455.3523
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05502	8.5
57.07079	4.8
67.05521	15.4
69.07072	20.8
69.34109	2.5
69.34789	7.1
69.35209	14.3
70.07915	2.4
79.05492	9.7
81.07064	33.8
83.08614	11.5
91.05476	15.6
93.07053	36.8
95.08611	74.7
97.10172	5.8
105.07053	26.4
107.08606	54.7
109.10169	40.9
111.08054	3.2
117.07006	6.8
119.08591	100.0
121.10148	53.3
123.11700	12.7
129.06975	2.9
130.07671	2.7
131.08577	19.7
133.10147	35.5
135.11717	39.7
137.13266	5.6
141.98714	2.6
143.08560	3.8
145.10133	47.9
147.11693	22.1
149.13289	15.0
151.07547	4.7
157.10127	7.4
159.11674	26.5
161.13252	18.6
163.07529	12.3
163.14825	28.3
170.73117	2.3
171.11707	5.7
173.09615	4.1
173.13237	25.2
175.14830	13.0
177.09142	3.8
177.16414	10.7
180.07664	2.4
185.13266	8.2
187.14838	51.7
189.16373	27.7
191.10753	3.3
191.16187	3.6
191.17957	75.0
199.14771	12.2
199.24612	2.5
201.16400	44.9
203.17960	37.4
205.15811	3.8
205.19537	6.9
207.17441	4.1
211.14882	3.2
213.16364	3.2
215.14317	2.9
215.17934	6.1
217.19530	11.0
227.18008	4.6
229.15846	9.2
229.19556	12.8
231.20949	3.3
233.15402	9.8
241.19592	3.0
245.15408	3.4
247.16963	20.8
248.35292	2.6
255.21156	3.3
287.20206	3.0
381.38611	2.6
391.33588	23.0
409.34625	37.9
437.34235	48.6
455.35480	16.9
457.74667	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	455.3523
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
54.68104	3.8
55.05501	18.1
57.07080	5.7
59.25045	4.3
65.05008	4.4
67.05522	23.9
69.03423	4.6
69.06734	5.2
69.07064	31.8
69.94301	16.3
69.94702	9.0
70.06516	4.0
79.05508	20.2
81.07058	43.7
83.08606	13.8
91.05484	24.0
93.07043	46.6
95.08051	7.2
95.08615	100.0
97.10180	8.1
105.07037	42.7
107.07954	6.8
107.08604	77.6
109.06476	6.4
109.10154	52.0
111.08074	6.2
117.06974	7.5
118.97563	3.8
119.08595	78.9
121.10150	59.4
123.08052	4.9
123.11723	23.7
125.09657	4.1
131.08548	18.1
133.10129	68.3
135.08064	6.6
135.11722	34.6
137.09584	4.7
137.69258	4.9
143.08513	11.1
145.10144	31.5
147.11711	51.2
149.09624	6.3
149.13258	28.4
151.11191	9.2
153.09084	5.0
155.08861	4.2
157.10143	13.8
159.11729	22.3
161.09616	4.0
161.13277	18.5
163.11218	6.8
163.14839	21.6
171.11641	4.6
173.13278	13.6
175.10983	4.4
175.14851	31.0
177.16446	38.7
183.11636	5.5
185.13264	5.9
187.14810	32.6
189.16364	49.4
191.17982	12.7
199.14867	7.1
201.16400	27.3
203.17958	60.8
205.15900	62.6
207.17433	9.0
213.16452	5.0
215.18065	21.9
217.19606	7.1
219.17509	7.3
221.19086	5.0
229.19420	5.4
235.16916	10.5
235.52026	4.3
239.18076	4.3
241.19579	4.3
243.21191	4.0
247.16907	4.5
249.18491	12.0
261.18478	3.9
263.63217	3.9
267.73016	4.0
307.31216	4.8
313.25168	6.4
322.17206	4.6
391.33533	15.4
409.34668	58.1
437.34219	39.9
455.35660	34.8
484.73099	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	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49592	4.5
52.57623	4.3
55.05523	10.2
66.54217	3.9
67.05511	23.4
69.07074	23.5
70.19759	17.1
71.49926	4.5
75.13647	3.9
79.05502	22.3
79.13731	4.2
81.07067	55.9
83.08635	14.2
91.05488	14.7
93.07046	68.1
95.08044	8.2
95.08619	100.0
98.47224	4.0
105.07035	56.8
106.29259	4.6
107.08603	81.8
109.06539	9.8
109.10155	59.8
111.08086	92.9
111.11753	5.0
119.08595	72.1
121.10161	62.4
123.11732	18.4
131.08583	21.8
133.10138	60.9
135.11719	28.5
139.11215	15.6
143.08566	9.1
145.10118	40.4
147.11690	55.8
149.13293	45.3
157.10202	7.0
157.45940	4.8
159.11703	32.5
161.13292	41.6
163.14819	34.8
165.12776	4.9
171.11751	6.2
173.13254	13.2
175.14853	41.4
176.96825	4.2
176.98428	5.5
177.16428	30.4
185.13315	6.6
187.14778	23.8
189.16415	96.5
191.18002	16.8
199.14848	5.3
201.16428	38.9
203.17970	81.5
205.15967	7.0
205.19498	7.4
207.17401	26.4
213.16452	10.0
215.17932	31.3
217.19591	7.5
219.17548	14.2
221.19040	7.4
227.18057	6.7
229.19553	6.6
231.17511	5.9
233.18892	6.3
235.16939	6.0
239.18303	5.2
241.19514	11.1
243.21088	9.4
247.17081	7.4
249.18526	14.0
255.21130	9.1
261.18469	15.5
261.22165	6.2
301.21579	6.4
315.23184	6.0
391.33810	10.8
397.31360	6.9
402.29541	4.2
406.56067	4.7
409.34741	54.4
425.34094	8.4
437.33981	28.0
437.95807	5.4
455.35144	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17075	1.2
55.05495	2.8
64.20492	1.2
67.05498	5.8
69.07070	7.0
69.47993	9.6
79.05481	6.0
81.07054	10.0
81.94272	1.2
83.08629	3.3
91.05460	4.6
93.07043	14.5
95.08608	27.4
97.10174	1.8
105.07027	10.6
107.08601	39.4
109.09556	1.5
109.10162	15.5
117.07018	2.1
119.08583	16.4
121.09315	2.8
121.10143	32.3
123.11715	4.4
131.08536	4.2
132.99638	1.6
133.09241	1.7
133.10147	17.6
135.11708	9.3
142.29863	1.4
145.10112	10.6
147.11711	9.5
149.09628	1.6
149.13208	7.6
159.11737	6.5
161.13252	5.2
163.11195	11.6
163.14827	6.2
167.10696	1.7
171.11716	1.6
173.13228	3.6
175.14830	14.2
177.14969	2.6
177.16386	29.2
179.14378	2.2
187.14804	13.0
189.16412	12.3
191.17961	2.6
201.16353	1.5
203.06102	1.3
203.17932	26.4
205.15886	100.0
205.19456	4.2
207.17459	4.1
207.87051	1.5
213.16374	1.6
215.17957	2.5
217.15901	1.4
219.17421	3.3
221.19098	2.1
231.17464	2.2
249.18486	6.7
285.25720	2.6
295.24216	5.4
313.25232	8.5
339.26859	1.7
377.59689	1.6
391.33652	2.7
409.29507	2.7
409.34631	36.5
437.34286	10.1
455.35422	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	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.8
57.07062	3.0
67.05499	5.8
69.07080	11.1
70.40038	8.5
79.05494	13.6
81.07065	16.9
82.02021	2.2
83.08614	7.3
91.05474	7.7
93.07065	14.9
95.08615	34.1
105.07040	19.5
107.08605	42.6
109.10165	22.4
111.08079	3.0
119.08590	44.5
121.10142	36.0
123.11696	6.6
131.08571	5.1
133.10139	36.4
135.11693	13.5
145.10139	20.9
147.11682	21.4
149.13260	9.5
153.09074	3.4
159.11688	18.4
161.13284	15.5
163.11201	18.7
163.14809	8.2
167.10677	2.5
173.13258	8.4
175.14870	12.2
177.16377	19.1
187.14812	29.6
189.16386	65.2
191.18027	5.4
201.16360	7.1
203.17978	64.1
205.15894	100.0
205.19461	15.0
206.16226	2.6
207.17479	10.2
213.16391	5.5
215.17894	2.4
223.16875	3.0
231.20963	2.6
249.18526	13.8
279.84964	2.4
295.24200	5.0
313.25208	6.3
340.09412	2.7
391.33420	3.1
409.34662	34.2
437.34146	24.3
450.34485	2.3
455.35144	8.0
475.96283	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	455.352
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05507	4.9
55.32376	2.8
60.72586	2.5
67.05503	6.0
69.07073	10.6
69.37939	2.7
69.56718	18.3
71.54132	2.4
78.84304	2.4
79.05475	7.3
81.07066	18.1
83.08630	5.1
91.05461	7.7
93.07034	18.9
95.08611	41.4
105.07021	22.6
107.08601	36.3
109.10148	22.3
117.06989	3.6
119.08583	46.8
121.10144	34.5
123.11712	6.8
131.08551	4.0
133.10141	40.3
135.11699	11.7
137.13208	4.4
145.10143	31.6
147.11690	28.5
149.13252	15.4
159.11703	33.0
161.13281	23.5
163.11148	3.3
163.14801	19.3
167.10591	3.6
173.13293	7.7
175.14819	15.7
177.16383	21.2
187.14844	33.5
189.16402	65.6
191.17993	9.6
201.16382	13.3
203.17976	100.0
205.15903	45.9
205.19525	2.8
207.17407	6.8
213.16408	7.8
215.18085	3.8
219.17554	3.2
221.19035	4.4
249.18481	16.0
391.33514	13.4
409.29486	4.0
409.34644	48.3
437.34167	34.8
455.35077	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	455.3524
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05513	18.1
56.64124	4.3
57.07070	6.6
64.30711	5.1
67.05507	25.3
69.07056	27.8
70.11989	23.2
79.05500	29.3
81.07053	66.9
83.08612	19.5
88.95599	4.9
91.05516	28.8
93.07059	50.6
95.05009	6.5
95.08056	6.1
95.08620	88.0
97.10174	6.2
98.21397	7.3
105.07037	52.1
107.08606	99.1
109.06499	5.6
109.10163	53.5
111.08066	8.7
117.07017	8.0
119.08591	100.0
120.38247	5.5
121.10139	52.1
123.11720	18.7
131.08577	23.2
133.10144	60.8
135.11670	49.5
137.09637	7.1
137.13292	9.3
143.08569	10.5
145.10110	40.3
147.11699	57.7
148.12009	5.4
149.13269	34.4
153.09097	5.9
157.10138	7.6
159.11702	49.3
161.13248	31.9
163.07513	7.4
163.14864	29.0
165.12733	6.5
171.11674	15.0
173.13263	30.6
175.14848	28.3
177.09109	7.0
177.16394	21.1
179.14308	17.3
185.13272	12.8
187.14822	25.9
189.16379	71.8
191.17958	24.8
199.14839	12.1
201.16420	58.9
203.17972	64.7
205.16063	9.6
207.17441	12.1
215.17937	25.3
219.17479	6.2
227.18016	6.9
229.19516	27.6
235.16989	6.8
243.21091	19.7
247.16867	39.8
255.21082	8.6
261.18530	9.0
269.22852	5.8
275.19904	8.6
289.21530	6.5
391.33487	13.4
409.34775	28.2
437.34216	41.9
455.35623	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.7
56.25158	1.6
57.07065	4.7
61.91391	1.5
67.05516	13.7
69.07078	12.3
69.57459	10.9
79.05508	12.2
81.07063	26.7
81.14969	1.7
83.08622	8.6
85.06580	2.0
91.05484	15.7
93.07054	31.3
95.08618	51.9
99.08089	15.7
105.07043	40.6
107.08607	46.9
109.10164	22.9
117.07051	5.0
119.08598	60.5
121.10152	31.7
123.11700	9.6
129.06993	1.7
131.08582	42.2
133.10146	48.8
134.10397	1.5
135.11700	24.6
137.13283	3.7
143.08597	3.2
144.53006	1.7
145.10133	33.5
147.10780	2.2
147.11700	57.2
149.13284	12.1
157.10149	11.7
159.11710	31.0
161.13268	19.2
163.14874	8.4
171.11671	3.5
172.12492	2.7
173.13274	15.6
175.14848	13.0
177.16394	4.0
179.14357	1.8
185.13289	3.8
187.14813	26.8
188.15491	2.0
189.16406	20.4
191.17964	100.0
192.18268	2.4
199.14714	1.9
201.16408	92.8
202.16791	3.2
203.17963	25.9
205.16026	1.8
205.19595	4.6
211.14926	2.2
211.65704	1.7
213.16333	3.4
215.17973	6.5
217.19514	12.7
219.17545	11.8
225.16335	1.7
229.15947	3.8
229.19498	4.9
231.21083	3.8
247.16975	2.6
251.17914	1.9
269.22668	2.1
295.24109	1.8
337.28796	2.8
391.33450	3.9
409.34714	29.4
437.34189	5.3
455.35178	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01871	1.7
55.05507	7.1
55.89280	0.8
57.03431	1.0
57.07077	1.7
65.03949	1.0
67.05511	11.1
68.01778	0.9
69.03428	6.7
69.07076	8.3
69.49104	6.5
70.06583	1.3
71.04965	1.2
79.05502	13.6
79.94493	0.9
81.03407	2.0
81.07061	20.4
83.05000	4.3
83.08611	3.8
84.04504	1.1
85.02903	1.8
85.06551	3.1
91.05002	0.6
91.05479	18.3
93.07055	19.0
95.04960	4.6
95.08605	21.6
97.02874	2.4
97.06522	4.6
97.10185	1.4
99.08100	6.5
100.11275	2.0
103.05438	5.0
105.07034	25.9
107.04953	5.3
107.08603	31.9
107.85503	1.1
109.02879	1.1
109.06536	7.4
109.10167	15.6
111.04415	1.2
111.08081	2.5
113.05977	1.7
115.03960	0.8
115.05474	2.5
117.07034	6.1
119.04964	1.0
119.08591	32.2
121.02939	1.1
121.06509	6.3
121.10154	23.4
122.07291	3.7
123.08057	5.8
123.11717	3.2
125.09631	3.0
127.03914	1.8
128.06201	3.2
129.07030	4.6
130.07816	1.7
131.04938	11.1
131.08577	17.7
133.06535	8.1
133.10136	71.6
134.06856	1.5
134.10469	1.9
135.07129	1.3
135.08063	12.7
135.11726	6.2
137.06049	1.1
137.09625	33.0
137.41858	0.9
141.07065	1.3
142.07776	2.9
143.08575	8.6
144.09331	2.5
145.06505	2.8
145.10127	22.1
146.07242	1.0
147.04388	1.8
147.08063	19.2
147.11707	13.7
149.06013	2.3
149.09624	6.4
149.13292	9.7
151.11211	3.0
154.07697	1.0
155.08574	4.0
156.09308	4.5
157.10152	11.5
158.07329	3.1
158.10889	2.4
159.08083	12.1
159.11688	17.4
161.06052	1.6
161.09644	10.6
161.13260	6.5
163.03923	1.6
163.11168	3.1
163.14822	3.2
165.12891	1.0
167.08543	1.0
167.10728	1.3
168.09312	1.6
169.10167	5.4
170.10922	2.3
171.08075	4.0
171.11708	9.1
172.08842	6.0
172.12323	1.1
173.09654	15.5
173.13272	13.5
174.10576	1.1
175.11217	11.0
175.14867	5.1
177.12778	2.5
181.10147	1.1
182.10971	1.4
183.08148	1.0
183.11702	8.9
184.08812	1.3
184.12610	1.1
185.09631	4.6
185.13263	6.0
186.10423	9.6
187.11191	9.8
187.14815	7.8
189.12758	8.0
189.16417	3.0
191.14320	22.8
193.10175	1.4
193.12288	1.6
193.15900	1.3
195.11586	2.0
197.09596	1.8
197.13264	3.4
198.10423	2.3
199.11195	25.5
199.14853	3.3
200.11781	1.3
201.12759	45.3
201.16444	3.7
202.13229	1.8
203.14343	19.1
203.17958	2.9
205.15930	4.4
207.13869	1.0
209.13272	1.8
209.15147	1.1
210.14899	1.4
211.11133	1.7
211.14931	4.0
212.11977	1.1
213.12744	6.6
213.16338	6.1
215.14339	19.8
215.17935	1.7
217.12187	1.5
217.15892	3.4
219.13800	18.4
221.13327	1.2
221.15343	1.9
223.14897	1.4
225.12735	1.9
225.16423	1.7
227.14307	3.5
227.17856	1.5
229.15910	4.6
231.17392	4.3
233.15421	3.6
235.13277	8.4
237.12804	0.9
237.16476	1.2
239.14297	1.5
239.18091	1.3
241.15971	2.8
243.17514	1.2
243.55182	1.0
245.15402	1.3
247.16957	2.6
249.16373	1.0
251.17966	1.3
253.15939	1.7
255.17499	2.5
259.17026	1.3
267.17426	1.6
269.18945	2.1
271.20898	1.1
275.20187	1.7
283.20444	1.5
295.20618	1.3
325.80643	0.9
327.23053	1.6
391.31451	2.0
395.30344	1.0
401.28534	2.0
407.29465	2.4
419.29242	9.3
437.30530	10.1
452.16187	0.9
455.31567	100.0
456.31967	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	455.3159
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.82188	0.5
53.03940	0.6
55.05508	1.7
55.11698	0.5
57.07066	0.5
67.05501	2.6
69.03409	0.5
69.07056	1.4
70.78174	0.9
70.78573	1.0
73.76551	0.4
75.73319	0.5
79.05502	3.4
81.07063	3.3
83.04978	0.8
83.08610	0.9
89.84543	0.5
91.05490	4.9
93.07055	5.0
95.04970	1.0
95.08618	7.6
97.06514	1.2
103.05451	0.6
105.07037	10.3
107.04974	0.6
107.08598	7.5
109.06509	1.8
109.10149	3.0
111.08074	0.8
115.05425	0.6
117.07047	1.8
119.08585	8.0
121.06519	2.5
121.10139	3.4
123.08065	1.4
129.07007	1.1
131.08586	4.1
133.06485	4.1
133.10150	6.1
135.08061	68.2
135.11684	1.2
136.08401	1.4
137.09602	0.8
142.07797	0.9
143.08557	3.1
145.06544	0.5
145.10146	5.6
146.07277	0.6
147.08063	4.2
147.11673	3.2
149.09627	6.3
149.13290	0.8
155.08533	0.9
156.09380	0.8
157.10126	2.9
159.08026	1.2
159.11716	4.4
161.09634	7.8
161.13260	1.6
162.87692	0.4
163.11209	1.3
163.14850	0.8
165.09164	0.6
169.10121	1.1
170.10954	0.7
171.11722	2.7
173.09641	1.7
173.13261	3.6
175.11195	6.1
175.14778	2.1
177.12729	1.1
181.10036	0.6
183.11688	1.4
183.36517	0.4
185.13208	3.2
187.11238	1.0
187.14793	2.4
189.12762	2.7
189.16417	1.1
191.14272	0.8
192.67175	0.5
195.11574	0.5
197.13289	0.8
199.11183	0.7
199.14896	1.6
201.12834	1.6
201.16443	1.9
203.14342	17.5
205.15887	0.9
208.12509	0.4
209.13246	0.6
211.11197	0.8
211.14848	0.5
213.12740	0.8
213.16354	0.8
217.15889	4.0
219.13759	0.5
229.15886	1.3
239.17633	0.6
243.17517	0.8
253.19524	0.7
269.19101	0.7
416.17123	0.5
419.29553	1.7
437.30582	4.6
455.31595	100.0
456.31985	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	455.316
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
53.03942	2.9
55.01872	1.1
55.05517	9.1
57.03446	1.2
57.07067	1.7
59.05006	1.3
64.90469	0.9
67.05512	11.2
69.03432	6.5
69.07072	8.8
69.50179	2.2
69.50584	6.1
71.05000	1.5
73.71984	1.1
79.05501	12.8
81.03428	1.8
81.07061	18.2
83.04982	2.7
83.08617	4.6
84.08112	0.9
85.02921	2.0
85.06551	1.2
86.09702	1.6
89.03915	1.0
91.05482	19.6
91.06017	1.9
93.07049	18.9
95.04970	4.0
95.08617	19.6
97.02893	3.4
97.06533	4.4
97.10140	1.0
98.21500	1.8
99.04470	2.1
99.08086	5.5
100.11239	4.8
101.11579	1.9
103.05484	4.9
105.07040	28.9
107.04951	4.7
107.08608	32.9
109.06525	6.8
109.10169	14.6
111.04468	1.3
111.08080	3.0
115.05425	1.5
117.07016	5.1
119.08592	29.0
120.08907	1.2
121.06513	6.9
121.10158	20.7
122.07304	2.4
123.08096	6.0
123.11716	3.6
125.09645	2.7
128.06215	1.3
129.07031	2.9
130.07843	1.2
131.04939	9.6
131.08575	15.4
133.06503	10.9
133.10144	67.4
134.10422	1.3
135.08081	9.1
135.11697	6.4
137.06000	1.8
137.09624	30.2
141.06989	1.8
142.07753	2.3
143.08571	9.8
144.09395	2.3
145.06482	2.3
145.10130	22.4
147.04478	1.5
147.08058	17.7
147.11702	12.3
149.09648	5.9
149.13277	7.7
151.07581	1.2
151.11186	2.3
155.08621	4.8
156.09361	4.1
157.10156	10.3
158.07294	1.8
158.10892	1.9
159.08057	10.3
159.11711	17.5
161.06046	1.3
161.09641	12.4
161.13289	5.3
163.03955	2.6
163.07552	1.4
163.11247	2.5
163.14873	2.5
165.09164	1.0
165.12755	1.0
167.10793	1.3
169.10173	4.2
171.08105	4.1
171.11700	7.3
172.08858	7.0
173.09639	15.6
173.13255	13.1
175.11208	11.2
175.14793	6.1
177.12695	2.1
179.08568	1.2
182.10939	1.2
183.11732	8.4
184.08884	1.4
185.09630	3.7
185.13228	4.7
186.10393	8.0
187.11198	9.0
187.14819	6.9
189.12766	7.5
189.16327	1.3
191.14334	20.3
193.12331	1.3
193.15860	1.5
195.11684	2.3
197.09641	1.3
197.13272	1.4
198.10425	2.4
199.11200	22.5
199.14874	3.7
201.12779	44.3
201.16411	3.7
203.14326	17.6
203.17815	2.0
205.15874	4.1
207.13863	2.4
209.13329	1.8
209.15219	1.2
211.11310	1.3
211.14987	3.3
213.12746	7.6
213.16273	4.7
215.14354	17.3
215.17863	1.5
217.12242	3.1
217.15833	3.1
219.13791	15.4
219.17357	1.5
221.13348	1.2
221.15382	1.7
223.14844	1.4
225.12589	1.6
225.16510	1.9
227.14362	2.9
229.15913	4.3
231.17511	4.0
233.15434	3.7
235.13281	8.9
237.16508	2.2
239.14369	2.4
241.15872	3.7
247.16983	2.2
249.18675	1.1
253.15878	1.4
255.17538	1.8
257.19180	2.1
259.17062	1.3
267.17526	1.2
269.18994	1.6
283.20584	1.7
293.19022	1.6
327.23135	1.3
389.28854	1.1
392.53430	0.9
401.28296	2.3
407.29535	2.1
419.29376	8.5
437.30603	14.0
447.36203	1.1
455.31601	100.0
456.31860	3.3
466.06052	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	455.3159
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.32106	0.4
52.10505	0.3
55.01873	0.4
55.05517	2.7
56.70045	0.3
57.03411	0.3
57.07073	0.8
65.03922	0.6
67.05508	4.2
69.03420	0.6
69.07064	2.3
71.04984	0.3
74.92306	0.3
79.05490	3.6
81.07067	6.8
83.04980	0.8
83.08614	1.2
91.05490	5.3
93.07056	7.1
95.04963	1.4
95.08613	9.4
97.06564	0.6
97.10171	0.6
103.05460	0.5
103.35991	0.3
105.07043	10.7
107.04967	0.7
107.08605	10.0
109.06516	1.2
109.10168	6.9
111.08083	0.6
115.05466	0.4
117.07024	2.0
119.08588	18.0
121.06529	1.3
121.10151	6.9
121.52361	0.3
123.08111	1.6
123.11729	2.1
128.06285	0.5
129.07018	1.0
130.07715	0.4
131.08582	6.7
133.06519	2.3
133.10141	8.7
135.08063	9.1
135.11685	3.7
137.09637	1.1
137.13292	0.8
141.07050	0.6
142.07793	1.1
143.08563	3.1
144.05719	0.4
144.09329	0.6
145.06471	1.7
145.09039	0.5
145.10143	9.8
147.08070	2.7
147.11705	5.5
149.09633	2.3
149.13214	1.9
149.69832	0.3
151.11203	0.4
155.08565	1.2
156.09348	1.2
157.10144	3.2
158.07301	1.2
158.10913	0.7
159.08081	3.6
159.11703	6.4
160.08675	0.3
161.09633	3.7
161.13220	3.0
161.14171	0.3
163.11218	1.0
163.14841	1.1
169.10159	1.7
170.10912	0.5
171.08070	0.7
171.11726	3.6
172.08810	1.2
172.12544	0.5
173.09642	6.1
173.13286	4.0
174.10416	0.4
175.11198	2.8
175.14818	2.5
177.12758	0.6
177.16403	1.3
181.10159	0.7
182.10866	0.4
183.11719	2.8
185.09605	1.1
185.13272	2.7
186.10399	1.9
187.11185	3.6
187.14818	3.1
189.12769	1.9
189.16376	2.9
191.14343	0.8
191.17966	6.5
193.10141	0.7
195.11716	0.8
196.12526	0.3
197.13275	1.1
199.11201	4.9
199.14819	2.1
201.12766	9.2
201.16383	3.6
203.14336	5.9
203.17998	3.0
205.15834	0.6
205.19499	0.9
207.11760	0.3
207.13809	0.4
208.12492	0.5
209.13353	0.6
211.14871	1.5
212.15752	0.3
213.12753	1.1
213.16428	1.4
215.12289	0.3
215.14334	6.4
215.17776	0.5
217.15907	2.4
217.19542	1.2
219.13817	1.1
219.17448	1.4
221.13261	0.5
223.14807	0.9
225.16374	0.6
227.14345	0.4
229.15894	1.2
229.19530	0.3
231.17421	0.5
237.16446	0.5
239.17996	0.5
241.15909	0.6
245.15471	0.3
247.16904	0.8
253.19638	0.4
255.17509	0.5
265.18097	0.6
269.19037	0.4
401.28418	0.6
409.34564	0.5
419.29340	0.5
437.30600	1.1
455.31519	100.0
456.31909	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	455.3158
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
53.03935	2.3
55.05514	15.1
57.07089	2.7
67.05505	14.3
69.03434	5.5
69.07070	10.3
69.17985	2.0
71.07594	2.0
79.05513	15.2
81.07067	24.0
83.04998	4.4
83.08618	8.3
90.44087	2.4
91.05482	21.8
93.07055	33.7
95.04966	4.5
95.08047	3.9
95.08616	44.9
97.06538	9.6
99.08103	20.2
103.05466	2.4
105.07040	40.9
107.08606	41.1
109.06529	12.1
109.10181	16.6
111.08093	75.1
111.08865	3.7
115.05389	2.4
117.07034	9.8
119.08582	47.9
121.06523	10.4
121.10148	30.0
123.08064	11.3
123.11700	4.3
128.06213	3.1
129.06989	4.7
130.07768	2.6
131.08592	31.5
133.06494	3.3
133.10141	27.8
135.08064	18.9
135.11679	10.9
137.09618	12.5
141.06978	4.9
142.07820	6.2
143.08549	22.9
144.09306	4.5
145.06410	3.2
145.10143	33.1
147.08109	16.5
147.11717	21.6
149.09668	6.5
149.13277	5.1
151.11258	2.5
155.08577	9.3
156.09354	11.1
157.10138	37.0
158.10919	2.9
159.08067	6.4
159.11705	31.1
161.09659	14.1
161.13260	17.5
163.11200	7.6
163.14850	5.4
165.12839	3.0
167.08577	6.6
167.10727	2.8
168.09286	2.3
169.10156	18.4
170.10876	10.4
170.42455	2.5
171.08038	2.7
171.11703	25.2
173.09669	5.9
173.13297	27.5
175.11230	7.5
175.14864	11.7
177.12810	4.1
179.08580	2.6
180.09340	3.1
181.10147	9.6
182.10921	4.8
183.08337	2.3
183.11693	24.5
185.09660	3.8
185.13286	36.9
187.11261	4.7
187.14801	14.0
189.12747	14.3
189.16368	2.7
191.14343	5.8
195.11662	10.7
197.13264	25.1
199.11195	7.2
199.14891	14.9
201.12805	8.6
201.16429	5.9
203.14352	32.1
205.16019	2.5
207.11731	5.3
208.12204	2.2
208.15768	2.5
209.13289	12.0
210.14159	3.5
211.14845	20.1
213.12811	5.1
213.16483	6.1
215.14384	14.3
217.15828	12.3
219.13828	3.9
221.13274	5.1
221.15382	5.1
223.14922	12.5
225.12772	3.7
225.16328	10.4
227.14395	3.5
227.18011	4.4
229.15886	11.3
231.17522	7.2
233.13300	4.9
233.15526	2.6
235.14948	3.8
237.16402	7.1
241.15871	3.7
243.17470	5.2
249.16557	3.2
251.17934	12.4
253.15883	3.9
253.19617	3.2
257.19162	3.1
261.16522	2.6
263.17905	2.9
265.19553	3.3
267.17499	3.2
269.19006	25.2
271.20575	5.2
275.17899	3.8
281.19003	3.4
283.20645	9.0
299.20093	4.1
309.22333	3.5
333.22232	5.7
335.23755	4.7
347.23550	3.1
349.21774	3.3
365.24921	3.7
389.28549	10.7
401.28705	13.2
404.27246	4.7
407.29507	10.9
419.29474	30.1
420.29559	4.1
437.30560	41.0
455.31610	100.0
456.31827	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	455.3158
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
53.03931	1.2
55.05516	5.3
57.03423	0.8
57.07067	1.7
65.03954	1.3
67.05505	6.5
69.03424	2.3
69.07075	7.2
69.48199	1.7
69.48596	5.1
70.06618	0.8
71.04998	5.3
71.55199	0.7
72.18224	0.7
79.05505	7.6
81.03422	0.9
81.07063	15.4
83.04977	3.9
83.08619	2.0
85.02894	1.5
89.03909	0.9
91.05482	10.6
92.47282	0.7
93.07050	15.7
95.04964	3.4
95.08616	17.5
97.06530	7.1
97.10210	1.0
99.04459	12.3
99.08121	1.8
103.05450	1.5
105.07036	24.2
107.04951	1.1
107.08606	21.2
109.06523	2.4
109.10149	8.4
111.08102	1.8
115.05448	1.4
117.07007	5.6
119.08593	28.5
119.09456	1.4
121.06530	5.0
121.10136	13.3
123.08099	3.8
123.11709	3.2
125.09630	2.4
129.07008	3.1
130.07803	1.5
131.04935	1.3
131.08578	15.8
133.06487	0.9
133.10143	16.6
135.04378	1.7
135.08075	4.2
135.11693	5.2
137.09657	2.7
141.06981	1.1
142.07803	1.9
143.08580	5.7
144.09338	2.1
145.02867	0.9
145.06500	2.4
145.10133	23.5
147.04364	1.7
147.08067	4.6
147.11700	11.0
149.05960	1.4
149.09639	2.9
149.13283	4.0
153.09093	1.3
155.08580	2.5
156.09344	2.5
157.10126	9.3
158.07303	0.9
158.10928	1.7
159.08054	5.7
159.11711	19.2
161.09666	3.5
161.13266	9.2
163.03934	4.2
163.07556	2.8
163.11220	1.9
163.14822	3.7
165.09096	1.5
167.08636	0.7
169.10172	3.3
171.08051	1.2
171.11674	7.1
172.08810	1.6
172.12492	1.2
173.09660	6.8
173.13260	17.5
175.11176	4.8
175.14848	7.3
177.09109	1.4
177.12738	3.6
177.16443	1.9
181.10100	0.9
183.11720	4.0
185.09671	1.7
185.13269	5.2
186.10416	2.6
187.07626	0.9
187.11232	3.6
187.14825	17.6
189.12752	4.8
189.16379	5.5
191.10767	1.0
191.14333	8.7
195.11746	1.2
197.13359	3.0
199.11177	4.2
199.14839	4.8
200.11874	0.9
201.12764	11.2
201.16376	5.7
203.14355	6.7
203.17932	1.8
205.12215	1.5
205.15900	3.2
207.13831	2.0
209.13303	1.5
211.14803	1.9
213.12827	2.1
213.16354	4.5
215.14330	11.6
215.17885	1.6
217.12175	0.9
217.15866	4.3
219.13779	5.0
219.17397	1.5
221.13306	1.0
221.15408	2.5
223.14784	1.9
225.16489	1.4
227.14299	1.4
227.18094	0.8
229.15926	1.9
231.13882	1.7
231.17509	2.0
233.15385	15.4
235.16945	1.0
237.16513	1.5
239.14554	0.8
239.17882	1.2
241.15877	1.3
243.17503	1.0
253.19487	0.9
255.14413	0.7
255.17450	1.7
257.19205	1.0
259.16983	1.4
267.17496	1.2
277.19308	0.8
283.20358	0.7
304.56253	0.8
327.23294	1.0
339.27087	0.7
343.13153	0.8
371.07764	0.8
377.28531	1.0
389.28580	1.3
391.11716	1.7
391.29944	3.5
393.31607	1.7
395.29343	1.2
401.28531	1.4
407.29590	2.4
409.31094	4.1
411.20084	1.9
419.29453	11.5
425.30487	0.8
437.12344	1.1
437.30548	23.5
450.50015	0.9
455.18674	6.4
455.31598	100.0
456.04388	0.7
456.31918	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	455.316
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.77824	0.6
52.91437	0.6
53.03939	0.8
55.05511	2.5
67.05507	3.4
69.07056	2.0
70.11131	2.9
71.04976	1.0
79.05510	3.9
80.10509	0.6
81.07073	4.7
83.08609	0.9
85.12382	0.7
91.05482	5.0
93.07060	5.2
95.04966	1.5
95.08615	10.7
97.06531	1.1
103.05471	0.8
105.07040	9.6
107.08604	10.5
109.06524	2.9
109.10167	6.6
111.08077	1.1
115.05511	0.9
116.06199	0.6
117.07024	2.3
119.08595	11.3
121.06503	2.9
121.10149	5.6
123.08096	1.8
123.11720	1.0
131.08617	4.9
133.06494	5.1
133.10130	8.3
135.08061	43.6
135.11703	3.1
135.12564	0.6
137.09615	1.7
142.07860	1.1
143.08574	3.1
145.10136	7.9
147.08058	5.4
147.11710	5.0
149.09668	2.9
149.13243	1.5
151.11209	0.8
153.09073	1.0
156.09346	0.9
157.10158	3.6
159.08051	1.6
159.11723	6.1
161.09625	8.2
161.13258	2.4
163.11168	0.9
163.14900	1.0
168.80556	0.6
169.10175	2.0
171.11714	1.8
171.32472	0.7
173.09695	2.3
173.13281	4.4
175.11209	9.0
175.14786	2.9
177.12767	1.1
177.16406	0.8
183.11699	1.3
185.09549	1.2
185.13275	2.6
187.11198	1.6
187.14845	3.8
188.12024	0.6
189.12764	3.1
189.16409	2.3
191.14371	1.3
191.17972	1.7
193.12239	1.1
197.13295	2.1
199.11319	1.0
199.14807	1.5
201.12752	1.9
201.16431	3.0
203.12421	1.2
203.14337	22.0
203.18030	1.2
205.15912	0.9
209.13255	0.8
211.14888	0.9
213.12895	1.0
213.16368	0.9
215.14270	1.1
217.15877	8.4
219.13846	2.1
225.16368	0.7
227.14339	0.9
227.18008	0.8
229.15938	1.2
241.83774	0.6
247.16978	1.4
297.22275	1.2
335.87137	0.6
367.22424	0.7
391.29080	0.7
400.59146	0.7
409.34833	0.8
419.29486	2.0
437.30054	4.1
455.31583	100.0
456.31927	4.0
484.46710	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	455.3161
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
55.05532	1.2
57.07077	0.4
65.03941	0.3
67.05507	2.2
69.03432	0.6
69.07067	1.6
71.04987	0.4
71.33906	0.3
79.05505	2.8
81.07062	3.8
81.29577	0.2
83.04986	0.4
83.08632	0.4
91.04939	0.4
91.05483	3.6
93.07053	4.7
95.04973	0.9
95.08616	4.8
97.06535	0.5
105.07040	8.0
106.07391	0.3
107.04993	0.5
107.08605	6.4
108.43368	0.2
109.06541	1.3
109.10168	2.2
110.62956	0.2
111.08095	0.7
115.05417	0.4
116.06232	0.3
117.07019	1.7
119.08594	9.0
121.06525	1.3
121.10163	4.0
123.08084	1.1
123.11726	0.7
128.06236	0.6
129.06990	0.9
130.07805	0.7
131.08588	5.4
133.06503	1.3
133.10141	5.7
135.08081	2.3
135.11696	1.1
137.09637	0.5
141.07011	0.6
142.07799	0.8
143.08582	2.5
145.06514	2.5
145.10135	8.2
147.08032	1.9
147.11687	3.2
149.09633	1.7
149.13239	0.5
155.08600	1.3
156.09366	1.1
157.06540	0.5
157.10152	3.0
158.07310	1.0
158.10870	0.6
159.08075	5.0
159.11725	4.2
160.08884	0.8
161.09616	2.0
161.13322	1.5
163.11166	0.8
163.14865	0.3
167.08455	0.3
168.09361	0.5
169.10126	1.4
170.10924	0.6
171.08066	0.8
171.11725	2.8
172.08820	1.8
172.12462	0.3
173.09645	7.9
173.13266	3.4
173.92375	0.3
174.10153	0.3
175.11230	2.2
175.14856	1.0
177.12703	0.4
179.08554	0.2
181.10187	0.5
182.10950	0.5
183.08095	0.4
183.11723	2.0
185.09596	1.7
185.13310	2.1
186.10448	2.1
187.11224	4.0
187.14851	3.0
189.12761	1.0
189.16348	0.4
191.14339	0.5
193.10199	0.7
195.11739	0.6
196.12463	0.5
197.09619	0.4
197.13272	1.5
199.11188	3.1
199.14873	1.6
200.11790	0.4
201.12772	10.2
201.16473	0.6
203.14360	4.1
207.11688	0.5
208.12482	0.4
209.13261	0.7
211.11134	0.4
211.14803	1.4
213.12773	0.9
213.16402	1.1
215.14337	8.1
217.15916	0.9
221.13277	0.5
223.14832	0.9
225.12878	0.4
225.16325	0.6
226.13382	0.3
227.14294	1.0
229.15965	1.0
237.16385	0.4
239.14485	0.6
239.18117	0.3
239.54912	0.3
241.15865	0.7
249.16513	0.3
251.18071	0.3
253.15967	0.6
255.17545	0.8
265.19620	0.3
267.17505	0.4
269.19098	0.5
292.22180	0.3
340.95953	0.3
375.27005	0.4
394.24936	0.4
401.28586	0.4
407.29617	0.4
412.26175	0.6
419.29315	0.6
437.30756	0.8
455.31607	100.0
456.31992	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	455.316
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
53.03945	0.8
55.05519	3.0
57.07069	1.0
64.70701	0.5
67.05511	5.1
69.03420	1.0
69.07070	5.2
69.94938	2.8
70.29517	0.5
71.04991	0.6
79.05501	4.9
79.80092	0.5
81.07071	7.5
83.04976	0.6
83.08611	1.9
84.85268	0.5
91.05479	7.0
93.07045	9.5
95.04955	1.2
95.08610	9.8
95.23971	0.5
97.06541	1.9
97.10170	0.8
99.08085	0.8
103.05441	1.1
105.07041	11.7
107.04999	0.8
107.08597	11.8
109.06525	2.0
109.10165	7.3
111.08077	1.3
115.05479	0.5
117.07040	2.2
119.08589	14.1
121.06496	2.5
121.10145	7.2
123.08061	1.8
123.11686	1.4
125.09609	1.7
128.06183	0.6
129.07010	2.1
130.07813	1.0
131.04892	0.7
131.08565	6.2
133.06496	1.4
133.10146	10.9
135.08073	4.6
135.11716	2.9
137.09631	1.8
141.06972	1.1
142.07820	2.2
143.08549	3.8
145.06467	2.7
145.10121	9.6
147.08076	5.8
147.11707	6.2
149.09625	1.8
149.13269	2.2
151.11229	0.9
155.08578	2.0
156.09337	1.9
157.06435	0.6
157.10136	11.8
158.07291	1.7
158.10909	0.6
159.08080	8.2
159.11702	7.1
160.08835	0.9
161.09619	4.7
161.13293	3.4
163.03960	0.7
163.11157	1.2
163.14845	1.2
169.10191	2.7
170.10960	1.3
171.08055	2.4
171.11673	4.9
172.08794	2.6
173.09612	7.8
173.13284	5.7
175.11195	3.9
175.14793	3.8
177.12752	1.2
177.16396	1.2
181.10181	0.9
183.08156	0.9
183.11780	2.8
184.08842	2.1
184.12668	0.7
185.09645	3.1
185.13254	3.2
186.10457	3.6
187.11229	4.2
187.14795	3.9
189.12770	3.1
189.16394	2.4
191.14351	1.3
193.15900	1.2
195.11766	1.2
197.09602	1.6
197.13274	1.5
198.10434	1.4
199.11197	15.5
199.14827	1.4
200.11674	0.9
201.12764	24.8
201.16418	2.5
202.13058	0.7
203.14340	7.0
203.17967	1.9
205.15918	1.9
207.11836	0.8
209.09613	0.7
209.13322	1.1
211.11279	1.6
211.14812	1.3
213.12822	3.6
213.16420	2.0
215.14320	10.8
215.17894	0.7
217.12279	6.5
217.15912	2.0
219.17433	0.8
223.14926	0.9
223.16971	0.6
225.12740	1.5
227.14375	3.4
229.15970	1.3
231.13725	0.7
231.17496	0.7
233.15500	0.7
236.15717	0.6
237.12811	1.0
237.16560	0.8
239.14363	1.7
241.15889	2.2
245.15334	0.8
247.16866	0.7
251.14468	0.9
251.17844	0.9
253.16005	1.6
255.17535	2.5
267.17526	1.4
269.19067	1.1
281.18945	1.1
283.20572	1.1
293.19104	0.9
295.20667	1.1
335.23648	0.7
376.34851	0.7
401.28482	2.7
407.29367	0.8
419.29492	8.4
437.30234	4.4
455.31595	100.0
456.31720	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	455.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05502	1.7
58.73324	0.4
62.03603	0.5
67.05492	1.6
69.03459	0.7
69.07060	1.7
71.32304	0.7
71.32628	0.8
79.05489	3.3
81.07060	4.5
83.04972	0.6
83.08598	1.0
91.05486	4.3
93.07050	5.0
95.04993	0.8
95.08602	5.5
97.06516	0.6
99.14020	0.5
101.31602	0.5
104.92650	0.5
105.07037	7.7
107.04943	0.7
107.08591	7.7
109.06528	0.8
109.10154	3.8
111.08067	0.7
117.07030	1.3
119.08576	10.0
121.06535	0.6
121.10153	4.3
121.71078	0.5
123.08105	0.7
123.11725	1.4
125.09635	0.7
129.07005	1.0
131.04857	0.7
131.08566	6.3
133.06461	1.2
133.10130	5.1
135.08063	2.2
135.11678	1.2
142.07823	0.6
143.08603	2.9
144.09302	0.7
145.06509	1.6
145.10129	8.5
147.08060	1.7
147.11708	3.4
149.09630	1.4
149.13243	0.6
154.07664	0.5
155.08553	1.0
156.09338	1.7
157.10138	3.6
158.07266	1.3
158.10985	0.5
159.08057	3.5
159.11676	4.8
160.08919	0.6
161.09529	2.5
161.13271	1.8
163.11174	1.1
167.08615	0.8
167.10666	0.5
169.10165	2.1
170.10965	0.6
171.08138	0.9
171.11726	2.4
172.08873	1.5
173.09648	6.6
173.13280	3.9
175.11214	2.1
175.14862	1.4
177.12868	0.7
183.11687	2.8
185.09610	1.3
185.13313	1.9
186.10419	2.1
187.11182	3.3
187.14819	3.0
189.12753	1.2
190.74101	0.5
191.14304	0.8
195.11725	0.9
197.09706	0.6
197.13402	0.7
198.10464	0.6
199.11166	7.3
199.14807	2.0
201.12769	11.7
201.16231	0.7
203.14290	4.5
203.17885	0.6
205.15968	0.6
207.11763	0.8
209.13315	0.8
211.14851	1.1
213.12776	1.2
213.16409	1.3
215.14317	7.2
217.15776	0.9
223.14798	1.2
225.16342	1.0
237.16362	0.8
239.14249	0.6
239.17998	0.8
241.15849	1.1
243.17528	0.6
249.16528	0.6
251.18016	0.6
255.17538	0.7
354.73343	0.7
357.25833	0.6
364.17285	0.6
419.29321	1.1
437.30649	1.5
455.31570	100.0
456.31842	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	455.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01876	6.7
55.05504	6.5
57.03440	8.1
61.02931	3.1
62.92228	3.4
65.03950	2.4
67.05503	12.1
68.99804	5.9
69.03431	28.5
69.07056	4.8
69.49760	18.8
70.06573	5.7
71.04996	4.1
73.02930	5.0
79.05488	16.3
81.03417	16.9
81.07058	21.4
83.04977	14.2
84.24306	2.2
85.02909	100.0
85.06523	3.3
86.06068	22.8
87.00838	8.0
87.06413	5.1
89.03963	2.5
91.05491	31.2
93.07053	34.5
95.04971	36.0
95.08613	16.9
97.02878	13.5
97.06524	10.0
98.21591	3.3
99.04440	5.5
103.05486	5.6
105.01860	3.1
105.07047	33.5
105.07695	4.0
107.04945	6.8
107.08605	49.5
107.62608	2.3
109.02860	13.6
109.06534	23.4
109.10169	7.5
111.04456	10.3
115.03926	3.2
115.05487	4.4
117.03460	2.7
117.07005	9.1
119.04897	2.6
119.08591	27.9
121.06497	18.2
121.10146	25.0
121.58402	2.6
123.04416	6.6
123.08082	9.3
123.11717	6.8
125.06031	8.2
127.03950	14.6
129.01901	2.9
129.06975	5.5
131.04955	4.5
131.08574	45.1
133.06467	11.7
133.10138	15.2
135.04449	5.3
135.07153	3.8
135.08025	16.0
135.11729	6.9
137.06026	5.8
137.09663	5.9
139.07584	6.7
143.08575	10.3
145.02875	5.7
145.04955	6.6
145.06506	7.7
145.10147	13.7
147.04422	5.6
147.08060	28.5
147.11708	18.1
149.05937	3.5
149.09630	35.9
151.07552	10.5
151.11284	2.3
154.86720	2.5
155.08557	3.3
156.09344	3.6
157.10178	6.7
159.08102	14.7
159.11726	5.3
161.06001	6.1
161.09633	20.4
161.13251	4.9
163.07596	3.9
163.11171	11.3
165.09097	4.7
165.12776	5.8
169.10106	5.8
171.08035	4.5
171.11734	4.6
173.09645	11.3
175.11168	2.8
177.05466	18.1
177.12759	2.8
181.04865	2.9
185.09660	4.2
187.11197	8.1
189.09120	6.9
189.12733	29.1
191.10675	13.3
191.14349	9.6
195.11887	2.6
197.09608	5.0
201.08907	3.2
201.12772	4.3
203.10709	5.2
205.12201	4.1
207.10156	3.2
207.13853	21.0
211.11237	4.4
213.12640	3.1
215.10751	8.4
229.12270	4.3
231.04868	2.7
231.10153	3.5
231.13838	6.6
233.11771	3.3
247.13589	3.0
249.14795	5.5
257.11841	7.3
275.13034	4.4
289.14435	4.5
291.16049	3.0
293.13922	7.8
300.93866	2.4
311.15125	3.5
335.14954	4.5
351.18042	15.5
369.19058	5.6
393.19205	8.4
419.17267	5.2
419.61313	2.5
455.19827	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	455.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55960	1.2
51.02393	1.6
53.03952	2.7
55.05508	9.5
57.07063	2.0
65.03944	1.4
65.92824	1.3
67.05509	12.0
69.03429	4.0
69.07083	6.4
71.04990	1.3
79.05495	9.5
81.03415	4.3
81.07059	16.2
83.04983	1.6
83.08633	3.6
89.03928	3.5
91.05482	11.0
93.07051	16.4
95.04990	5.8
95.08047	2.3
95.08613	34.5
97.02873	2.2
97.06521	4.3
99.08099	1.6
103.05472	29.3
105.04539	2.1
105.06380	1.9
105.07043	21.9
106.03814	1.4
107.04980	2.2
107.08604	24.7
109.06516	5.6
109.10167	16.3
111.08080	2.5
117.03398	4.2
117.07014	5.3
119.08587	27.3
121.06524	7.4
121.10152	15.8
123.08066	3.4
123.11728	3.4
125.09631	1.2
128.06194	2.9
129.06984	3.3
130.07797	1.4
130.95180	1.2
131.04938	76.1
131.08559	13.1
133.06453	1.5
133.10138	18.1
135.04466	6.9
135.08054	8.4
135.11707	3.5
137.09657	3.1
141.07014	1.2
142.07755	2.2
143.08569	9.7
145.02835	6.6
145.06474	2.7
145.10129	17.3
147.08014	9.7
147.11674	11.2
149.05986	2.6
149.09639	5.1
149.13280	2.5
149.72261	1.2
151.11147	1.5
153.06976	1.2
155.08577	3.7
156.09378	4.3
157.10130	12.1
158.07269	1.3
158.10925	1.2
159.08072	7.9
159.11693	15.4
160.08856	1.7
161.09634	8.6
161.13255	10.4
163.03922	41.4
163.11218	2.3
163.14824	2.3
165.07004	1.2
165.09116	2.3
165.12753	1.1
168.09491	1.4
169.10199	6.8
170.10989	1.8
171.08112	5.3
171.11691	9.2
172.08791	1.5
173.09685	8.0
173.13264	10.7
175.11151	6.8
175.14853	5.7
177.12715	1.9
181.10110	3.1
182.10887	1.9
183.11731	5.6
184.12279	1.4
185.09680	2.5
185.13220	9.4
187.11250	6.1
187.14861	8.5
189.12778	8.9
189.16422	3.5
191.14398	3.0
193.12267	1.7
195.11717	3.2
197.13266	7.1
199.11205	6.1
199.14844	3.5
201.12709	9.8
201.16396	2.3
203.14316	20.5
203.17999	2.0
205.15945	1.7
209.13217	1.6
211.11201	1.2
211.14821	4.8
213.12750	3.7
213.16284	2.5
215.14326	18.5
215.17766	1.3
217.12439	1.3
217.15865	5.5
223.14868	2.0
225.16493	2.5
227.14401	2.4
227.17899	2.0
229.15977	5.5
233.15442	1.8
235.14931	2.4
239.17941	1.8
241.15919	2.4
243.17485	2.6
247.16908	1.8
253.15808	1.7
255.17491	2.0
265.19565	1.7
267.17499	1.4
269.19046	4.9
270.04764	1.4
275.09280	2.5
278.99646	1.3
279.20959	1.9
283.20740	2.3
361.24023	1.9
367.22675	2.6
377.28638	1.6
385.23761	7.5
389.28607	3.4
391.29758	1.7
395.29248	1.6
401.28204	5.7
407.29626	2.9
411.65146	1.2
419.29318	9.5
425.30475	1.4
437.30356	16.9
455.31589	100.0
456.31976	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	455.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79631	0.7
55.01865	0.9
55.05505	2.6
59.19258	0.6
67.05511	2.9
69.03451	5.1
69.07073	1.7
71.14521	1.1
79.05507	4.7
81.07053	4.6
83.04974	2.0
85.02914	0.9
91.05482	7.5
93.07059	3.6
95.04973	1.2
95.08612	2.7
97.02890	3.1
103.05489	1.1
105.01869	0.7
105.07040	8.1
107.04971	2.9
107.07871	0.9
107.08601	16.7
109.06533	1.7
109.10178	5.7
115.05457	2.0
117.07000	1.7
118.07751	0.8
119.08575	4.8
121.02865	0.6
121.06516	2.3
121.10154	10.9
122.07319	5.5
123.08073	1.1
125.02354	1.2
131.08591	2.9
133.06506	2.8
133.10141	100.0
134.06834	1.7
134.10509	2.0
135.08051	5.1
135.11723	1.7
137.09630	48.5
138.09993	1.0
141.25006	0.5
143.08517	0.7
145.10156	1.9
147.11696	2.1
149.05991	2.0
149.09689	0.7
149.13274	7.1
158.10971	1.3
161.13248	0.7
163.14844	1.1
168.67682	0.5
173.13312	7.1
178.37695	0.6
191.14322	35.0
192.14658	1.1
293.17310	6.0
409.51617	0.6
455.22513	4.6
455.31589	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	455.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	9.3
59.62666	9.2
61.02931	8.4
66.88950	6.7
67.05508	18.6
68.94742	6.0
69.03436	36.7
71.04968	6.0
71.13852	12.8
75.05511	5.8
79.05490	23.2
81.03413	23.2
81.07038	27.7
83.04984	16.0
85.02911	100.0
85.06548	7.8
87.00805	20.5
87.04425	7.2
91.05475	38.9
93.07066	39.9
95.04984	37.5
95.08601	56.8
97.02914	15.8
97.06552	12.2
99.04462	8.6
99.34463	6.6
103.03955	7.9
105.07057	34.4
107.05008	6.9
107.08602	54.5
109.02860	22.0
109.06524	29.7
119.08582	37.6
121.06524	28.2
121.10199	31.8
123.08080	19.9
123.11667	9.0
125.05981	11.5
127.03903	36.6
131.04945	8.9
131.08603	51.5
133.06496	10.4
133.10106	18.1
135.08046	19.7
135.11662	11.1
137.05995	7.7
137.09576	8.7
139.07512	9.3
143.08594	12.9
145.04898	9.4
145.10109	13.1
147.08037	26.1
147.11697	22.4
148.85202	7.2
149.06039	7.7
149.09628	68.1
150.04230	6.8
151.07559	13.0
159.08083	27.3
159.11662	11.1
161.09637	23.8
161.13271	12.2
163.11252	18.0
165.12727	12.5
171.11745	8.8
173.09579	9.5
174.10434	9.8
175.11215	6.9
177.05507	14.7
185.76947	6.9
187.11223	16.4
189.12732	62.2
191.10728	9.7
191.14339	29.7
203.10664	8.2
207.13832	65.5
231.13876	12.5
257.11761	10.1
272.40527	6.5
293.13684	7.7
351.17972	12.2
393.19266	14.9
455.19482	12.7
462.19629	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	455.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01878	1.4
55.05505	2.5
65.03930	1.2
67.05513	1.3
68.99785	0.8
69.03079	1.1
69.03437	11.8
69.07063	2.8
69.44340	3.0
69.44743	1.6
71.05009	1.1
73.02931	1.2
77.02455	0.7
77.03928	1.0
79.05505	10.0
81.03437	3.3
81.07066	1.3
83.04978	5.8
83.08609	0.8
85.02922	5.7
87.00831	2.3
91.05487	3.9
93.07052	2.2
95.04985	3.2
95.08604	1.0
95.74130	0.5
96.96399	0.8
97.02895	1.5
99.04479	0.6
103.05464	5.1
105.04549	0.7
105.07041	9.7
105.13320	0.6
106.74284	0.6
107.08602	7.9
109.02868	1.9
109.06503	1.6
111.08149	0.7
117.07059	0.9
119.08583	4.3
121.06533	6.4
121.10149	5.3
123.08107	1.9
127.03951	3.2
129.07074	1.0
130.62695	0.7
131.08548	3.2
133.06506	100.0
133.10112	6.1
134.06836	1.0
135.08064	5.2
137.09581	1.2
143.08591	2.7
145.04944	0.9
145.10164	2.7
147.08063	2.4
147.11729	3.5
149.09610	2.2
149.13289	1.0
151.07620	0.6
155.17389	0.6
158.10924	2.3
159.02924	1.8
161.09630	2.7
161.13203	0.9
163.11186	5.8
163.14854	0.8
173.13307	5.6
174.10458	0.9
176.11942	1.1
179.77162	0.6
189.12764	17.6
191.14325	47.9
192.14685	1.2
207.13838	19.0
207.15735	1.2
229.12357	0.8
289.32953	0.7
297.14969	0.7
315.16190	0.8
439.73602	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	455.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
59.04991	1.4
65.03944	2.2
69.96792	3.5
70.06614	3.8
71.04990	2.8
74.02417	1.1
79.05521	1.0
81.03426	2.0
85.02903	1.5
91.05492	4.7
93.03412	3.9
95.04996	1.1
97.02891	0.7
98.97547	1.4
107.04964	5.6
107.08618	1.0
109.10157	1.3
111.04443	14.7
117.05509	1.0
118.06566	4.0
119.04919	1.5
127.03903	1.4
128.06219	2.7
129.07011	29.1
130.06552	14.5
130.07491	1.4
131.50813	0.8
132.08073	1.0
135.04424	15.4
139.03911	28.2
140.07088	0.9
141.23579	0.8
142.06558	1.3
144.08096	8.9
146.06023	5.1
154.06540	1.8
155.07324	2.3
156.08105	69.7
157.08563	1.2
158.09656	1.4
163.03889	6.2
166.06528	0.8
167.07283	1.4
168.08087	15.1
169.07623	21.3
170.06032	1.9
171.09132	1.3
172.07597	2.1
177.05507	1.0
181.04984	3.7
182.06023	1.2
183.09200	1.7
184.07593	83.1
185.07959	0.8
186.09129	1.4
188.07072	4.5
193.07562	1.2
194.06042	1.5
196.07535	4.4
198.05539	2.8
202.08640	42.7
207.15919	2.8
211.08691	8.9
213.06654	1.0
213.10225	6.0
215.08182	29.3
222.05655	1.2
225.84926	0.9
240.06525	1.4
242.44371	0.7
257.09262	21.3
258.07516	1.1
275.10178	2.2
302.27106	0.8
364.11313	1.0
382.12888	100.0
383.12964	2.2
438.11798	4.2
455.14337	8.8
455.20227	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	455.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12548	0.8
53.03937	2.2
55.01875	1.5
55.05507	4.4
63.53837	0.8
67.05505	7.8
69.03426	4.2
69.07082	5.6
71.04992	1.5
71.59542	1.7
72.76732	1.1
77.03933	1.2
79.05494	5.8
81.03413	4.3
81.07053	8.4
83.05013	1.2
83.08640	2.7
89.03916	8.4
91.05477	6.3
93.07054	8.3
95.04966	3.9
95.08612	12.6
97.02901	1.3
97.06550	6.3
99.04498	1.3
99.08099	2.8
103.05482	37.9
105.07047	8.9
107.04954	3.1
107.08599	11.2
109.02880	1.7
109.06520	2.9
109.10169	7.9
111.08091	4.3
115.05487	1.6
117.03391	10.3
117.07044	2.0
119.08598	14.3
121.06513	4.2
121.10150	6.8
123.08049	2.8
123.11755	2.0
127.03888	1.3
128.06244	1.3
131.04944	100.0
131.08556	6.5
132.05255	1.4
133.06503	1.8
133.10147	10.5
135.04424	21.1
135.08083	4.5
135.11694	3.1
137.09624	2.4
141.07033	1.1
143.08571	3.3
145.02866	12.3
145.10117	11.1
147.04419	2.2
147.08066	2.8
147.11711	6.6
149.06079	1.1
149.09648	3.4
149.13261	1.9
151.11226	1.6
155.08554	2.0
156.09412	1.3
157.10133	6.8
158.07301	1.5
159.08144	3.0
159.11697	7.5
161.09648	3.7
161.13280	4.8
163.03926	92.3
163.11195	2.3
165.09161	1.3
167.10815	1.3
169.10146	3.6
171.11685	4.7
173.09668	4.2
173.13289	6.0
175.11192	3.4
175.14851	2.9
177.12813	1.4
181.10168	1.3
183.11769	3.7
185.09573	2.0
185.13298	5.2
187.11259	2.4
187.14857	5.9
189.12772	4.3
189.16464	3.9
191.14343	1.6
195.11646	1.1
197.13329	2.4
199.11224	2.9
199.14978	2.4
201.12796	4.5
201.16432	2.3
203.14378	9.8
203.17964	1.9
205.15981	2.6
209.13371	1.4
211.11314	1.2
211.14896	2.8
213.16383	1.0
215.14375	5.9
217.15944	2.5
219.13919	1.5
219.17517	1.2
221.15501	1.5
223.14873	2.6
225.16402	1.1
229.15874	2.8
241.15884	1.4
243.04965	1.2
249.05652	1.0
251.17970	1.9
267.17615	1.2
269.18924	2.6
275.09198	1.3
283.20490	1.3
293.19141	1.1
294.05310	1.6
295.06085	2.2
373.10803	1.7
391.11777	2.7
401.28409	2.1
407.29800	1.9
419.29410	5.8
437.30328	7.5
455.31580	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	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05503	3.2
57.03430	3.4
57.07082	22.8
58.70632	0.8
62.05784	1.7
62.06094	25.0
62.65996	0.8
67.05517	7.0
69.07077	4.3
71.08633	15.2
79.05487	1.0
81.07071	6.9
83.08644	4.7
85.10190	7.3
91.05463	1.1
93.07016	2.2
95.08614	10.2
97.10159	2.2
98.98467	6.7
105.06989	0.8
107.08583	2.0
109.10146	5.1
119.08548	1.8
121.10149	1.3
123.11751	2.0
124.01604	1.8
135.11690	1.0
137.13234	1.2
142.02591	1.4
145.10126	0.8
147.11638	1.1
155.01085	5.9
175.14836	0.9
198.05293	1.5
216.06326	2.8
233.26668	0.8
239.23700	2.3
282.27930	16.2
313.27390	100.0
314.27838	2.2
393.23962	4.8
436.28027	1.3
436.33170	1.1
454.33826	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	454.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.05513	1.4
57.03438	6.8
59.05001	3.6
61.02911	1.8
65.03943	1.1
67.05506	13.6
68.05845	0.7
69.03432	7.4
70.06585	2.2
71.01344	1.0
71.59375	0.8
73.02921	14.4
79.05501	4.6
81.03403	1.3
81.07062	11.9
83.08616	0.8
85.02912	8.9
87.04461	0.9
90.12209	0.7
91.05482	0.7
95.04970	1.4
97.02908	11.5
107.08595	12.0
109.02880	1.3
115.03941	6.2
121.01366	0.6
123.04463	0.6
124.04008	0.7
125.09636	100.0
126.09979	0.9
127.03905	2.7
127.07565	4.2
133.05000	1.2
139.09740	0.6
143.10706	3.5
145.04967	1.7
146.08148	0.7
147.04469	0.9
149.05957	0.7
155.07083	1.8
183.06517	2.6
209.08070	1.7
223.05983	0.9
247.08842	0.6
268.08182	1.3
299.17874	0.6
325.49573	0.6
405.59106	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	454.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47051	2.1
53.03936	8.3
55.01873	7.5
55.05522	23.2
55.07507	2.1
57.03433	9.8
57.07072	4.0
61.02922	5.8
67.05501	7.7
68.99779	2.6
69.03078	3.1
69.03436	33.3
69.07070	9.1
69.57239	7.9
69.57673	8.5
71.05000	19.3
71.08639	21.2
73.02911	7.2
79.05482	7.2
81.03429	27.4
81.07048	9.0
82.06588	5.8
83.04984	6.6
83.08622	21.0
85.02424	4.3
85.02917	72.3
87.00370	2.9
87.00842	34.1
89.09675	1.9
91.05466	2.9
93.07029	3.3
95.04967	3.8
95.08641	2.7
97.02906	33.0
98.21442	4.5
99.04449	9.9
99.08099	30.9
100.07632	4.8
100.11268	66.8
100.78623	2.0
101.11581	10.1
105.01881	33.4
105.07034	6.5
107.08588	9.1
108.08873	2.3
109.02888	30.4
109.10166	43.7
110.06053	3.4
111.04431	9.6
117.01914	4.1
119.08534	3.6
121.10147	8.6
127.03082	3.5
127.03938	51.2
127.11179	7.9
128.07083	4.9
129.01848	3.7
131.08565	3.8
133.06512	32.9
133.10149	41.1
134.06845	28.3
134.10513	2.9
135.08073	3.3
137.09647	13.5
145.04977	20.6
145.12256	100.0
148.12086	2.8
149.13289	3.1
153.12762	3.8
159.02930	11.7
159.11336	2.5
161.09419	2.3
164.14633	2.7
171.13797	10.7
173.13268	4.9
174.91280	2.4
182.15433	20.9
183.15753	9.4
189.13171	4.1
189.14888	23.2
190.13095	4.5
191.14357	19.4
192.14713	10.6
199.18062	2.9
209.16501	14.3
210.14966	29.0
210.16794	3.6
211.15237	11.9
213.03922	2.5
221.36305	2.4
226.19133	3.4
227.17522	6.0
231.04961	11.7
235.13188	3.0
276.72647	3.1
277.23062	6.5
295.34460	2.3
334.60699	2.3
338.22025	2.4
339.14453	2.5
340.25943	4.9
340.76193	3.7
343.30783	6.1
357.15302	2.8
381.79663	2.5
389.81448	2.9
390.31470	14.5
390.81406	3.1
444.83945	17.2
445.34143	3.5
452.35901	4.3
453.84518	8.2
454.34995	4.4
468.64551	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03959	2.8
55.05518	13.4
57.07072	7.0
65.29221	2.2
66.86552	1.9
67.05504	17.7
69.07069	19.8
69.61201	14.5
79.05503	14.2
81.07059	33.3
83.05023	2.3
83.08621	7.7
91.05490	23.5
93.07046	35.0
95.04976	3.4
95.08613	56.3
99.08099	13.3
103.05464	2.0
105.07037	71.4
107.08603	55.4
109.10165	28.2
111.08067	2.7
117.07002	10.6
119.08587	81.1
121.06545	4.7
121.10152	39.9
123.08102	6.8
123.11732	7.7
127.13653	1.7
129.07036	5.5
130.07787	4.9
131.08577	40.6
133.10139	61.5
135.08130	5.8
135.11691	20.7
137.09698	2.0
137.13287	3.8
142.07770	2.8
143.08580	11.7
144.09366	5.9
145.10133	80.0
147.11710	49.4
149.09634	3.9
149.13295	11.4
155.08585	2.4
156.09468	2.7
157.10129	21.1
158.10951	4.4
159.11711	56.9
161.09674	4.6
161.13281	24.2
163.11214	7.5
163.14832	14.2
169.10165	3.7
170.10933	3.3
171.11697	16.6
172.12402	3.8
173.13278	36.3
173.14684	2.8
174.14227	2.4
175.11339	2.4
175.14844	44.6
177.12827	4.2
177.16423	22.1
183.11768	7.0
185.13272	15.5
186.14151	2.8
187.14833	58.8
187.16425	3.7
189.12813	2.8
189.16402	96.3
191.14391	2.6
191.18007	8.7
195.11856	2.3
195.13898	3.0
196.12482	2.6
197.13326	4.8
199.14825	20.2
199.16272	1.9
201.16397	100.0
202.16777	2.3
203.14314	4.2
203.17967	34.8
205.15880	51.8
205.19557	3.6
207.17506	4.9
209.15442	2.1
211.14886	5.5
213.16394	18.4
215.14420	3.3
215.17950	16.0
216.05450	2.2
217.15904	9.6
217.19467	3.0
219.17433	5.7
221.15425	5.6
225.16408	2.3
227.14325	1.9
227.18042	5.5
229.19632	5.8
231.17551	6.0
231.21114	2.5
233.19115	2.4
239.18092	3.2
241.19585	4.7
247.17004	4.1
255.21143	2.5
267.21262	2.2
269.18973	1.9
299.23941	2.2
300.84470	2.0
352.39142	2.1
389.32080	5.7
407.33163	51.8
408.33844	2.7
414.82324	2.4
425.34277	5.0
435.32974	13.7
453.33844	79.8
454.34280	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	453.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52210	1.6
53.03938	2.8
55.05518	11.7
57.07060	4.0
57.35133	1.4
66.54626	1.4
67.05510	12.5
69.03424	3.3
69.07065	15.7
70.97357	3.5
70.97734	3.6
79.05492	11.8
81.03399	2.7
81.07063	23.3
83.04972	2.6
83.08620	9.7
83.41956	1.8
85.06485	1.9
91.05483	18.6
93.07043	27.2
95.04946	2.3
95.08611	41.4
97.06529	2.8
97.10178	3.6
99.08114	3.8
99.53075	1.6
101.49410	1.7
103.05450	1.6
105.07034	35.7
107.08601	52.4
109.02883	2.0
109.06482	1.8
109.10156	23.2
111.08112	1.9
117.07006	6.3
119.08588	75.3
121.06540	2.6
121.10152	43.8
122.10422	1.9
123.08048	3.6
123.11707	7.7
129.07007	3.6
131.08568	26.8
133.06557	1.8
133.10138	53.1
135.08040	7.3
135.11703	19.7
137.09602	2.3
137.13281	2.3
142.07808	2.1
143.08551	6.6
144.09329	5.1
145.09045	3.1
145.10133	60.0
147.08020	2.5
147.10632	2.5
147.11693	26.1
149.02324	8.7
149.09666	3.3
149.13275	10.9
151.11127	2.1
156.09363	2.5
157.10155	12.6
158.10918	3.2
159.11702	45.4
161.09618	5.3
161.13277	20.6
163.11197	13.2
163.14825	14.8
169.10126	3.3
170.10829	2.4
171.11707	12.7
172.12560	2.4
173.09561	2.0
173.13257	22.6
175.11208	6.2
175.14812	30.1
177.12808	4.0
177.16391	32.5
178.04323	1.7
178.84818	1.9
183.11679	4.6
185.13237	10.1
186.13940	2.1
187.11221	2.3
187.14828	58.8
189.12721	3.2
189.16405	45.6
190.16652	2.2
191.14297	2.9
191.17975	5.5
197.13326	3.8
197.63712	1.6
198.14072	2.0
199.11140	3.4
199.14819	9.1
201.12683	3.0
201.16400	91.8
203.14273	3.9
203.17970	24.0
205.15883	100.0
206.16191	3.1
207.17419	8.6
211.14850	2.2
213.16385	14.9
215.14317	4.6
215.17947	5.9
217.12308	3.2
217.15936	3.4
219.17445	6.6
223.14786	2.8
227.17955	9.1
229.15944	2.7
229.19484	2.8
231.17439	5.2
233.19048	3.4
235.16826	2.4
239.17984	2.2
241.19484	3.2
245.15306	2.9
245.19072	3.4
247.16893	10.8
267.17578	2.6
295.24298	1.8
318.38019	2.1
352.15482	1.8
354.77594	1.6
371.27368	1.8
386.56650	1.6
387.26517	1.6
389.32025	4.4
407.33139	35.4
408.33600	2.2
409.34586	4.9
423.32462	2.3
435.32455	7.1
453.19852	2.1
453.34143	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	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.05511	13.2
57.07079	3.9
62.03506	1.7
67.05508	12.9
69.07074	15.9
69.61340	11.5
71.04983	2.2
71.16291	1.5
79.05490	16.3
79.41794	1.9
81.07065	27.8
83.04972	4.0
83.08615	7.6
85.06547	2.0
91.05493	20.0
93.07050	35.4
95.04957	2.0
95.08612	49.6
95.26251	1.6
99.08099	19.4
105.07034	60.1
107.08601	55.2
109.06512	5.3
109.10165	22.7
111.08083	9.7
115.05415	2.4
117.06994	11.1
119.08589	87.7
121.06503	3.0
121.10152	40.1
123.08060	4.9
123.11710	12.0
128.06216	1.8
129.06995	5.5
130.07732	2.1
131.08585	48.9
133.10141	61.9
135.08057	7.1
135.11694	17.7
137.09598	3.0
137.13261	3.2
141.07014	2.3
142.07776	4.7
143.08577	11.8
144.09305	6.0
145.10135	85.9
146.10870	1.9
147.08078	2.2
147.11699	43.1
149.09639	3.9
149.13261	12.1
151.11186	2.4
155.08499	3.9
156.09315	4.4
157.10139	20.7
158.10864	3.6
159.11703	67.2
160.12364	2.7
161.09695	2.1
161.13264	19.5
163.11195	9.6
163.14801	6.1
165.09143	2.5
167.08524	2.0
169.10172	5.4
170.10869	5.7
171.11726	16.5
172.12410	4.6
173.09619	3.0
173.13289	29.2
174.13879	2.4
175.11288	3.3
175.14844	22.3
177.12753	1.8
177.16377	14.5
179.14214	2.0
183.11694	7.8
185.13264	16.0
186.14061	2.4
187.14845	51.7
189.16399	100.0
190.16685	2.9
191.14359	4.1
191.17932	3.7
195.11623	2.1
195.53445	1.9
197.13281	5.4
199.14836	18.6
201.12659	5.6
201.16399	95.5
203.14296	7.7
203.17957	14.0
205.15904	51.7
207.17444	3.1
209.13245	3.1
211.14870	5.9
213.12906	2.0
213.16389	15.7
215.14320	5.3
215.17958	13.6
217.15904	6.5
217.19521	2.3
219.17459	4.4
221.13351	2.5
221.15352	2.4
223.14844	4.8
225.16379	5.3
227.17941	6.4
229.16002	2.5
229.19545	5.3
231.17522	3.2
234.09143	2.0
237.16373	2.0
239.17967	4.0
241.19531	2.8
247.17078	4.3
251.17879	1.8
252.34079	1.9
253.19504	4.0
265.19403	2.3
269.19052	2.3
269.22443	1.9
293.22574	3.0
313.25400	2.6
335.27219	2.8
365.28299	2.8
389.32166	5.7
407.33194	44.1
408.33429	2.3
411.29102	2.5
418.40909	1.8
430.38049	1.9
435.27979	3.5
435.32620	10.4
453.34421	52.9
454.34106	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
54.85256	2.0
55.05511	14.6
55.81105	2.0
57.07071	5.4
67.05508	18.7
69.07069	18.5
69.68899	13.8
71.09871	1.8
73.89538	1.7
79.05489	15.1
80.87847	1.8
81.07062	28.3
83.04981	2.2
83.08618	11.5
88.60346	2.0
91.05483	24.6
93.07047	36.7
95.04969	3.0
95.08612	52.8
97.06519	3.0
97.10200	2.9
99.08092	8.5
103.05449	2.7
105.07034	41.1
105.07677	3.6
107.08599	66.7
109.06539	4.4
109.10163	33.9
111.08096	3.8
115.05386	2.1
117.07024	9.2
119.08589	100.0
121.10148	48.6
123.08089	4.6
123.11681	11.5
128.06216	3.2
129.07060	2.3
130.06560	4.2
130.07751	3.2
131.08575	38.0
133.10136	58.9
135.08113	3.4
135.11691	28.2
137.09631	2.8
137.13298	5.0
142.07774	2.9
143.08580	9.8
144.09343	3.6
145.10135	77.8
147.08008	2.8
147.11694	48.0
149.02362	2.2
149.09616	3.1
149.13269	14.5
151.07578	1.8
151.11290	2.4
153.09195	3.5
155.08563	2.5
156.09386	3.4
157.10136	14.3
158.10974	3.3
159.11708	58.2
161.13258	19.2
163.07553	2.5
163.11197	14.0
163.14893	9.8
169.10091	4.3
170.10942	2.6
171.11694	16.2
172.12567	3.3
172.66016	1.9
173.13271	27.1
175.11295	2.3
175.14842	28.8
177.12828	6.3
177.16405	20.2
179.14354	3.8
183.11742	6.5
185.13235	16.0
186.14082	2.4
187.14841	71.3
189.12766	2.8
189.16406	67.7
191.17996	4.0
197.13281	6.0
199.14838	14.1
201.16414	82.8
203.14305	3.8
203.18019	19.4
205.15886	60.0
207.17427	5.1
209.13335	3.5
211.14856	3.4
213.16391	29.2
215.14354	5.0
215.17950	9.6
217.15897	2.5
217.19635	3.3
219.17422	9.2
223.17026	3.0
225.16455	3.3
227.17947	8.4
229.15935	3.6
229.19609	3.2
231.17567	5.9
233.19011	2.5
239.17856	2.0
241.19525	4.5
243.21034	2.7
245.15570	1.9
245.23872	2.5
247.16936	6.6
253.19408	2.8
267.10834	2.3
311.23642	2.3
375.87366	2.1
389.32080	8.3
407.33124	35.4
409.34650	3.6
417.31439	2.9
435.32889	15.5
453.33899	54.3
454.34048	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03953	1.8
53.18894	1.5
55.05511	12.1
57.07070	3.1
67.05508	13.5
69.07076	15.2
69.57269	9.3
69.57668	3.7
79.05510	12.6
81.07055	27.9
83.08618	6.6
91.05476	15.1
93.07041	25.7
95.04966	2.1
95.08610	43.7
97.10172	3.3
99.08082	4.8
103.05445	1.7
105.07033	39.4
107.08588	47.8
108.46668	1.6
109.06499	4.3
109.10159	24.0
111.08000	1.8
117.07025	8.4
117.71164	1.6
119.08585	51.1
121.06519	1.9
121.10142	32.4
123.04456	2.9
123.08054	3.1
123.11715	10.5
129.07014	4.4
131.08575	22.9
133.10135	38.6
135.08054	3.5
135.11693	24.3
137.09705	1.7
137.13277	7.7
142.07799	2.1
143.08591	11.9
144.09416	4.0
145.10133	39.0
147.11687	26.8
149.09639	2.7
149.13297	11.6
151.14749	2.5
155.08589	3.1
156.09250	1.8
157.10130	10.7
158.10899	3.7
159.11702	31.7
161.09630	3.4
161.13235	15.9
163.07591	2.4
163.11203	4.4
163.14832	6.2
169.10133	3.1
171.11702	11.1
173.13284	17.3
175.11235	2.1
175.14816	23.5
177.16397	9.1
179.14278	1.9
181.84650	1.6
183.11681	4.2
185.13235	12.3
187.14821	29.2
189.16370	24.3
191.17960	9.1
195.11760	2.5
197.13301	5.0
199.14844	14.8
201.12695	1.7
201.16389	42.7
203.14365	6.9
203.17950	17.5
205.15939	9.0
205.19669	2.0
207.17538	2.4
209.13293	3.8
211.14937	5.6
213.16330	10.3
215.14453	3.0
215.17938	12.4
217.15865	12.0
217.19470	2.6
219.13875	1.6
219.17474	5.3
223.14799	2.5
225.16408	3.3
227.01657	1.6
227.17946	5.9
229.15897	1.8
229.19527	3.2
231.17587	2.5
233.19080	2.6
239.18077	1.7
241.19557	4.1
243.21088	2.3
247.16997	5.1
249.14807	3.0
253.19441	2.4
253.73500	1.7
255.21214	3.1
257.19086	2.3
263.16516	2.5
267.21146	4.7
271.20599	2.9
273.18384	1.9
282.55350	1.7
285.22253	1.8
287.20099	1.6
293.22696	3.5
299.20029	3.7
311.23877	3.9
333.25812	2.5
335.27341	1.8
353.24628	1.6
389.32037	8.4
407.33115	33.1
435.32642	25.8
453.33670	100.0
454.33908	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	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.05512	8.3
57.07067	3.7
67.05517	11.0
69.07074	10.0
69.48573	8.2
79.05496	17.0
81.07063	21.4
83.08605	9.2
85.06545	1.5
90.70770	0.9
91.05486	16.1
93.07054	25.2
95.04972	1.5
95.08610	26.8
97.06530	1.4
97.10207	1.9
99.08105	13.7
103.05489	1.5
105.04462	1.1
105.07035	42.2
107.08603	70.7
109.06545	1.3
109.10161	23.2
109.10906	1.2
111.07999	1.3
117.07025	8.4
119.08585	69.0
121.10153	42.4
123.08116	1.5
123.11719	24.4
124.62894	1.3
125.09686	1.5
128.06194	1.2
129.07005	3.0
130.07826	1.7
131.08582	27.9
133.10138	50.7
135.11708	32.7
137.13260	1.9
142.07791	1.6
143.08530	8.9
144.09358	4.4
145.10133	47.8
147.11699	49.8
149.13272	14.0
155.08559	1.9
156.09370	2.2
157.10144	14.8
158.10933	4.0
159.11705	54.8
160.12291	1.2
161.13268	22.5
163.14850	4.7
165.12697	1.2
169.10149	4.1
170.10928	2.5
171.11703	11.3
172.12535	3.4
173.13278	30.0
174.13921	1.3
175.14842	22.5
177.16405	5.7
179.14314	3.2
182.10939	1.3
183.11714	4.8
185.13278	10.8
186.13974	1.9
187.13127	2.4
187.14827	41.9
189.16394	52.7
190.16827	1.3
191.14284	2.1
191.18011	6.3
197.13318	4.1
199.14821	12.1
201.16389	49.9
203.18008	7.1
205.15886	2.9
209.13345	1.9
211.14919	4.0
213.16403	13.1
215.17967	58.3
216.18542	1.4
217.15869	2.9
217.19553	4.9
219.17471	2.8
223.14731	1.4
225.16396	4.2
227.17841	5.7
229.19522	13.6
231.17496	4.5
239.18025	3.0
241.19545	2.6
243.21115	2.1
245.15588	1.2
253.19484	2.2
257.18988	1.5
259.16956	2.3
267.21097	4.5
279.21005	1.5
285.22226	2.4
293.22974	1.8
313.21524	1.4
319.24255	1.9
333.26059	1.9
335.27405	7.0
389.32114	5.4
407.33157	45.0
417.31583	1.4
435.32700	16.7
453.33670	100.0
454.33920	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03953	3.9
55.05510	17.2
55.47638	2.8
57.07068	8.9
67.05508	22.9
69.07067	17.7
70.79446	5.5
79.05496	17.9
81.07067	34.1
81.49239	2.3
83.08625	15.1
85.06520	3.5
91.05480	22.2
93.07057	44.0
95.08045	4.3
95.08614	66.3
97.10201	3.2
99.08112	7.9
104.67271	2.7
105.07043	56.9
105.07748	2.8
107.08607	54.0
109.06520	3.1
109.10188	23.4
117.07018	10.2
119.08591	90.0
121.10146	42.2
123.08147	2.6
123.11737	15.2
125.06025	2.5
125.09637	2.9
129.07008	4.0
130.07835	2.2
131.08586	35.6
133.10130	47.5
133.11072	3.5
135.11716	34.9
137.13290	4.0
141.23592	2.4
142.07875	2.6
143.08534	15.0
144.09364	6.0
145.10146	70.2
147.11694	39.7
149.13304	16.8
150.29951	3.2
151.14851	2.6
153.09152	3.0
155.08601	4.7
157.10149	20.2
158.10986	3.3
159.11711	54.6
159.91228	2.5
161.13287	24.3
163.07454	5.9
163.14812	6.5
167.88435	2.5
169.10112	12.6
171.11717	17.5
172.12500	4.9
173.13284	25.8
175.11404	2.5
175.14850	27.3
177.16411	11.6
183.11705	10.6
183.96925	2.2
184.12480	3.6
185.13260	20.1
187.14861	39.2
189.16417	35.6
189.58232	2.7
191.17944	18.9
197.13300	7.6
198.14337	2.5
199.14833	20.5
201.16396	78.6
203.14308	13.3
203.17946	28.4
205.14261	2.6
205.15945	9.9
209.13303	5.7
211.14854	16.9
213.16446	11.7
215.14447	4.9
215.18004	12.9
217.15950	3.6
217.19617	4.5
219.13847	2.3
219.17465	6.7
225.16454	4.6
227.18005	8.0
229.19518	4.7
231.17439	5.8
233.15407	3.8
237.16452	4.2
239.18085	8.5
241.19542	4.1
243.21162	3.7
245.15450	6.2
247.16971	5.9
249.14952	8.5
253.19528	5.0
259.17194	3.1
267.21112	8.9
299.20123	4.2
307.24017	3.3
319.24454	2.7
389.32251	11.9
407.33157	42.2
409.30954	5.6
422.03564	3.1
435.32611	34.6
453.33701	100.0
454.34003	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05515	25.0
59.38605	3.7
67.05508	27.4
67.61154	4.1
69.07056	15.0
69.14553	3.9
70.71655	10.4
77.04335	4.0
79.05489	23.8
81.07059	58.0
83.04987	96.3
83.08618	10.3
91.05496	29.6
93.07046	65.2
95.04979	23.3
95.08047	7.6
95.08612	99.8
96.08928	4.5
101.37907	3.8
105.07032	76.2
107.08598	100.0
109.06512	9.1
109.10155	46.1
111.08052	5.9
117.06996	8.0
119.07787	6.8
119.08585	92.5
121.10142	56.3
123.08059	15.3
123.11695	14.4
125.09596	8.8
131.08560	36.0
133.10147	63.9
135.11687	33.9
137.09727	4.9
142.07742	5.2
143.08556	8.2
144.09412	5.9
145.10139	49.4
145.44296	4.6
147.11699	46.8
149.13240	18.7
153.09076	8.2
157.10124	13.7
159.11710	60.5
161.09642	4.5
161.13252	51.1
163.07568	7.1
163.14819	15.3
165.09138	3.9
167.10652	5.3
169.10141	4.0
171.11668	12.8
173.13301	28.2
175.14821	19.5
177.09099	6.1
177.16397	15.0
185.13257	6.8
187.14803	31.7
189.16365	50.7
191.17937	31.2
199.14853	12.5
201.16396	71.4
203.17960	24.3
205.15903	17.4
211.14742	5.5
213.16380	16.1
215.17955	29.3
217.15854	20.4
219.17480	26.5
229.15862	9.2
235.16904	12.8
243.21278	5.8
247.16888	24.1
249.18488	6.5
261.18463	19.9
304.13889	5.0
311.23645	7.7
325.29105	11.1
349.29028	5.8
357.27640	5.8
389.32037	10.1
395.29352	14.1
407.33087	39.9
435.32684	15.9
453.33707	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
54.25825	2.1
55.05511	8.9
56.40346	1.7
57.07072	4.2
67.05508	11.4
69.07074	17.7
71.15057	4.5
79.05517	11.5
81.07053	26.2
83.04989	4.1
83.08615	7.8
91.05494	14.3
93.06480	2.2
93.07048	28.2
95.04958	2.9
95.08044	3.7
95.08612	47.6
97.10138	4.6
98.30300	1.7
99.08138	2.9
103.05475	1.8
105.07038	39.9
105.91201	1.7
107.08607	47.4
109.10159	23.9
111.08069	2.7
117.07011	6.9
118.93855	1.7
119.08586	63.5
121.06558	3.3
121.10153	40.2
122.35759	1.9
123.08089	2.8
123.11706	7.4
129.06989	2.8
131.08585	23.3
133.10146	49.3
135.08044	5.0
135.11714	18.7
137.09651	2.1
137.13361	1.9
139.40131	1.7
143.08568	5.3
145.10132	58.2
147.11713	30.3
149.09598	8.5
149.13239	12.8
151.11177	2.2
157.10132	8.6
158.10910	3.6
159.11719	37.4
161.13284	19.4
163.11194	19.4
163.14888	10.2
169.10104	3.6
170.10899	2.6
171.11702	6.9
172.12553	3.4
173.13283	19.2
175.14856	20.6
177.12788	3.3
177.16386	20.9
179.10652	2.6
183.11882	2.6
185.13281	6.4
187.14825	44.6
189.16396	63.1
191.17949	4.5
197.13269	2.0
199.14903	5.1
201.16403	100.0
203.14415	2.2
203.17958	22.4
205.15898	79.7
207.17426	11.7
211.14871	3.7
213.16330	8.9
215.14423	3.1
215.17940	5.9
217.15910	3.4
219.17456	7.6
227.18024	5.2
229.15886	2.3
229.19525	4.1
231.17392	4.1
239.17993	2.2
240.47690	1.8
247.16954	23.6
253.19551	2.4
389.31949	6.5
407.33130	42.4
409.34656	2.2
417.31027	2.6
425.34143	2.8
435.32629	15.9
453.34531	16.1
454.10272	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.20431	2.0
55.05507	7.7
57.07077	3.8
67.05510	11.4
69.07068	12.1
69.65429	15.0
69.68073	2.0
79.05495	10.7
79.44564	2.5
81.07069	20.1
83.08608	7.8
85.06519	3.4
91.05484	17.7
93.07050	25.3
95.08610	42.1
99.08076	11.7
105.07028	40.1
105.07690	4.1
107.08604	51.3
107.09303	5.3
109.10166	19.4
111.08128	3.0
117.07037	9.9
119.08584	72.5
121.10160	39.3
123.08098	5.3
123.11685	7.5
128.06189	2.5
129.06999	4.7
130.07755	2.2
131.08589	34.5
133.10130	43.3
135.11719	20.8
143.08531	8.3
144.09317	3.2
145.10127	61.4
147.11691	36.2
149.13232	9.9
157.10147	16.9
158.10884	3.8
159.11702	58.1
161.13257	20.3
163.09973	2.3
163.11107	11.1
163.14882	6.7
169.10143	2.9
170.10895	2.5
171.11714	9.7
172.12540	3.9
173.13261	28.8
175.14819	26.0
177.12726	3.2
177.16380	18.6
183.11662	4.6
185.13271	10.5
186.13969	2.4
187.14822	35.7
189.16386	86.8
191.14166	2.6
191.17932	7.5
193.15862	3.0
197.13232	3.4
199.14870	12.9
201.16397	100.0
203.18039	13.6
205.15886	60.6
207.17499	4.2
211.14867	4.9
213.16435	13.0
215.18042	13.9
217.15884	5.5
219.17471	4.2
225.16289	2.5
227.17969	6.6
229.19528	4.4
233.18951	2.8
239.17998	2.7
247.16824	4.8
253.19566	3.1
330.42969	2.7
335.27441	2.9
347.27264	3.0
359.13626	2.6
389.32098	6.0
407.33057	42.9
435.32477	13.4
453.33664	63.3
454.33707	4.2
460.81540	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	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	17.0
57.07075	5.7
67.05502	27.2
69.07072	23.7
79.05500	25.8
81.07062	49.3
83.04999	8.4
83.08600	7.1
91.05490	28.5
93.07053	44.9
95.04976	9.1
95.08611	97.9
97.10178	7.1
98.68927	3.1
99.08121	3.8
105.07035	72.9
107.08604	77.6
109.06516	7.6
109.10164	55.2
111.08080	5.9
115.05474	3.9
117.07046	16.8
119.08585	95.1
121.06535	7.3
121.10151	51.3
123.08067	7.6
123.11732	16.4
125.09639	9.5
129.07019	6.4
131.08577	40.5
133.10135	63.1
135.08020	3.3
135.11722	25.3
137.09644	3.7
137.13213	3.1
143.08578	12.2
144.09343	6.7
145.10129	76.6
147.07991	4.9
147.11707	52.3
149.09567	5.6
149.13258	28.7
153.09091	5.0
157.10165	20.9
159.11700	48.8
161.13272	31.7
163.11284	4.2
163.14795	25.8
165.09113	2.9
169.10109	6.8
171.11653	15.8
173.09575	3.0
173.13292	36.3
175.11316	7.1
175.14838	100.0
177.12691	4.7
177.16371	36.6
179.10727	4.1
179.14365	4.3
183.11674	4.1
185.13283	16.1
187.14830	79.6
189.12808	4.7
189.16397	58.4
189.18076	4.7
191.14270	6.4
191.17953	12.5
193.12263	6.9
193.15904	4.5
197.13141	3.5
199.14847	21.8
201.16397	47.0
203.14325	10.2
203.17976	80.8
205.15921	24.0
205.19485	18.5
205.73811	3.0
207.17534	5.4
211.14749	4.2
213.16402	23.8
215.17943	21.2
217.15891	11.7
217.19569	4.5
219.17526	14.9
221.15390	5.8
223.11327	2.9
227.17947	7.5
229.19638	8.6
229.52249	3.1
231.17514	12.9
231.21188	8.1
235.16989	8.4
239.18015	3.9
241.19588	5.6
247.16982	9.2
249.18544	8.2
253.19418	3.1
261.18488	5.5
281.22409	4.0
327.24036	3.1
343.26508	3.8
353.23239	3.0
377.32141	3.3
389.32260	14.2
407.33087	48.6
425.34317	20.5
435.32657	18.2
453.33804	93.3
454.33963	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	453.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.05511	15.3
57.07071	6.1
59.05009	2.4
64.53441	2.2
67.05507	15.1
69.03439	2.9
69.07079	18.9
78.56492	2.0
79.05505	16.0
81.07056	33.2
83.04984	3.6
83.08641	11.3
91.05480	23.2
93.07055	36.6
93.29124	1.9
95.04945	4.4
95.08039	4.5
95.08613	51.4
97.06507	2.8
97.10173	3.7
99.08103	6.9
105.07034	50.4
107.08605	66.6
109.06529	4.5
109.10169	30.3
117.07037	13.6
119.08592	98.6
121.06532	3.7
121.10165	53.1
123.08105	3.8
123.11697	9.8
128.06207	2.4
128.29703	1.9
129.06993	7.4
130.07790	4.7
131.08580	33.9
133.10141	59.6
135.08055	5.8
135.11711	26.3
137.09636	4.3
137.13277	3.2
142.07793	3.1
143.08557	7.8
144.09378	4.9
145.09026	4.4
145.10143	72.9
147.11702	48.2
149.09671	4.0
149.13295	16.3
151.11163	4.3
153.09125	2.8
155.08594	3.9
156.09375	3.5
157.10124	17.8
158.10968	3.0
159.11707	68.7
161.09653	4.0
161.13274	23.0
163.11212	20.5
163.14856	8.9
165.09081	2.0
167.10727	2.3
169.10130	5.1
170.10881	3.3
171.11685	13.4
172.12488	3.8
173.09601	3.6
173.13293	27.5
174.13942	2.8
175.11189	3.2
175.14836	27.3
177.12793	5.8
177.16418	22.8
179.14343	3.4
183.11682	5.0
185.13232	11.5
187.13144	3.8
187.14836	73.5
189.12880	3.1
189.16393	83.2
190.16774	2.9
191.14420	2.4
191.17953	7.4
197.13257	4.6
199.14822	15.3
201.12698	4.3
201.16400	100.0
203.14291	9.1
203.17950	23.9
205.15895	72.1
206.16183	2.6
207.17464	7.7
209.13281	3.7
211.14836	3.6
213.16397	24.0
215.14336	3.9
215.17953	8.6
217.15872	9.7
217.19521	2.9
219.17404	9.8
227.17958	9.4
229.15855	3.6
229.19626	4.1
231.17503	5.7
233.18900	2.2
239.17842	2.8
241.19539	3.5
245.19051	4.4
247.16949	12.5
253.19496	4.7
255.21143	2.6
283.20499	2.3
335.27393	3.1
353.24506	2.5
369.34015	2.1
389.32452	4.7
407.27795	2.9
407.33133	43.0
409.34741	2.7
423.32599	3.8
435.32773	19.8
453.33945	58.4
454.33810	3.6
465.41989	2.4
468.96609	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	453.3367
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03942	3.6
55.05511	10.8
56.93277	3.2
57.07073	3.8
59.16926	2.6
61.31577	2.6
65.03926	3.1
67.00529	3.4
67.05505	20.8
69.07078	14.0
69.45712	15.5
69.46129	8.5
79.05515	17.4
81.07063	46.4
83.04985	17.7
83.08612	10.9
84.48406	3.0
91.05482	25.2
93.07047	39.6
95.04986	8.1
95.08613	83.1
97.06544	4.6
97.10179	3.9
98.20744	6.5
105.07038	71.3
107.08596	68.3
109.06522	6.7
109.10166	64.6
111.08135	5.2
115.53477	2.8
117.07021	10.2
119.08585	84.6
121.06480	5.0
121.10159	49.5
123.11697	17.0
125.09645	6.5
128.06210	2.8
129.07001	5.9
130.07768	3.3
131.08588	38.1
132.35573	2.9
133.10132	73.5
133.11072	5.4
135.08041	3.9
135.11693	29.8
137.09651	3.6
142.07726	3.2
143.08607	9.4
144.09344	5.8
145.10133	61.5
147.11700	42.1
149.09613	4.4
149.13269	21.2
151.11208	5.2
157.10172	14.8
158.10909	3.3
159.11688	50.9
161.09698	4.4
161.13277	31.2
163.11250	3.7
163.14775	16.8
169.10178	4.7
171.11734	10.5
173.13281	33.8
175.11192	4.1
175.14815	50.5
175.16219	3.6
177.12817	6.2
177.16397	25.6
185.13338	11.0
187.14847	50.9
189.16382	45.7
191.14363	16.3
191.16254	2.9
191.17984	12.8
193.12190	3.3
197.13417	3.7
199.14890	17.7
201.16385	46.9
203.14438	9.7
203.17973	51.4
205.15959	26.2
205.19518	27.0
207.17502	3.5
213.16357	21.6
215.17949	18.2
217.15936	10.4
217.19577	5.9
219.17441	29.5
221.15404	5.7
227.17998	3.6
229.15833	3.8
229.19495	4.1
231.17477	9.2
231.21098	8.7
233.19089	5.9
235.17006	11.7
241.19518	7.2
247.17061	10.1
249.18542	5.3
255.21188	4.2
261.18442	6.0
267.21143	4.5
376.14279	3.4
389.32104	8.7
407.33203	43.8
409.34680	3.9
420.24176	3.1
423.32480	3.5
425.33936	9.3
435.32779	16.7
453.33716	100.0
454.34253	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	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.8
57.07074	4.3
65.95664	1.9
66.47104	1.9
67.05512	16.1
69.07082	17.9
79.05524	15.5
81.07061	34.0
83.04929	2.3
83.08631	10.6
91.05483	22.8
91.72171	2.3
93.06540	3.0
93.07056	34.5
93.76661	1.9
95.08049	3.5
95.08614	51.9
97.06542	4.3
97.10188	2.8
99.08111	2.6
105.07043	49.5
107.08603	58.0
108.08906	2.4
109.06549	2.4
109.10164	25.4
117.06200	2.0
117.07021	10.4
119.08593	86.4
121.09311	3.5
121.10154	55.0
123.11726	10.7
125.09652	2.3
129.06981	3.6
130.07788	4.0
131.08574	29.2
133.10147	56.6
135.08046	6.9
135.11711	22.1
137.09656	3.0
137.13254	4.2
142.07799	2.6
143.08543	8.6
144.09319	4.2
145.09035	4.6
145.10132	66.2
146.10484	2.7
147.07947	2.4
147.11696	31.8
149.09616	5.5
149.13263	17.3
151.14883	2.1
153.09082	3.0
155.08640	2.3
156.09363	2.7
157.10136	16.1
158.10933	3.8
159.11722	53.4
160.12068	2.1
161.09641	3.6
161.13295	27.4
163.11192	15.2
163.14864	17.4
165.08894	2.3
169.10153	4.9
170.10892	5.2
171.11726	11.7
172.12468	3.1
173.09590	3.0
173.13226	25.2
174.13902	2.0
175.11261	5.2
175.14851	36.0
177.12772	4.6
177.16428	29.4
183.11684	6.3
185.13293	12.2
186.13994	2.4
187.14848	73.3
188.15100	2.8
189.16414	54.1
191.14301	2.9
191.17989	6.7
197.13280	3.8
199.14801	12.7
201.16405	100.0
203.14345	11.3
203.17978	28.4
205.15894	91.5
205.18953	2.1
206.16176	2.6
207.17424	8.5
213.16386	15.0
215.14322	6.3
215.17982	8.0
217.16080	4.2
217.19466	5.8
219.17447	9.2
225.16411	3.1
227.17944	10.1
229.15842	4.7
229.19527	3.3
231.17455	6.6
231.20892	2.1
233.19026	4.3
235.16849	2.6
239.17926	3.3
241.19543	5.0
247.16991	15.1
253.19617	2.8
259.20581	3.2
285.18451	2.4
389.31949	7.6
407.33185	46.6
409.34720	3.4
425.34189	3.8
435.32727	12.7
453.34039	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01884	4.7
55.05518	27.1
55.92056	2.4
57.07084	8.5
57.91800	2.6
63.89205	2.5
65.03957	3.4
66.41251	2.3
67.05511	33.3
68.38193	2.5
69.03436	10.6
69.07082	34.8
69.27287	6.0
69.27694	22.1
71.05022	3.4
71.08636	3.6
75.30602	2.3
76.34547	2.9
78.96977	2.3
79.05505	37.6
81.03459	7.2
81.07068	70.3
82.07406	10.5
83.04986	7.3
83.08624	20.3
85.02927	7.3
85.06552	5.3
91.05488	37.5
93.07060	58.1
95.04981	8.7
95.08623	92.1
96.08959	2.7
97.02905	6.4
97.06547	18.9
97.10197	6.1
99.04490	4.6
99.08107	9.8
100.11243	5.1
105.06376	5.4
105.07052	82.5
105.07766	4.2
107.04959	3.1
107.08613	84.9
109.02895	3.9
109.06521	7.7
109.10178	42.0
111.08102	8.1
115.05464	6.4
117.07046	18.9
119.08601	100.0
121.06506	10.8
121.10165	59.3
123.08085	13.4
123.11732	14.6
125.05995	3.1
125.09624	5.3
127.03914	4.7
128.06250	5.4
129.07027	12.8
130.07776	5.4
131.08580	55.9
133.06505	4.6
133.10150	77.0
135.08107	10.6
135.11728	27.1
137.06044	3.3
137.09631	6.3
137.13263	9.0
139.07620	2.8
141.06931	3.1
142.07809	5.8
143.08571	28.8
144.09337	7.5
145.06480	3.1
145.10147	77.0
146.10863	3.6
147.08043	10.0
147.11700	50.0
149.02344	14.7
149.09589	12.9
149.13306	18.4
151.07593	3.5
151.11241	4.4
153.09106	4.4
155.08594	10.9
155.14372	2.8
156.09373	9.0
157.10147	32.7
158.07338	2.8
158.10960	6.2
159.08119	8.4
159.11714	68.5
161.09637	11.8
161.13289	25.5
163.03923	3.4
163.11194	10.4
163.14882	15.9
165.09137	5.3
167.08588	3.9
167.10753	3.5
168.09381	4.6
169.10146	15.3
170.10889	6.7
171.08038	7.1
171.11722	28.7
172.12476	4.2
173.09584	6.0
173.13306	43.6
175.07596	3.1
175.11288	13.3
175.14865	38.0
177.12814	6.9
177.16431	15.9
181.10098	6.1
182.10994	3.6
182.15465	3.4
183.11719	16.1
184.08841	8.2
185.09694	5.3
185.13290	31.9
187.11171	8.5
187.14841	58.5
189.12788	8.2
189.16420	76.7
191.14322	11.3
191.18016	5.9
193.10088	3.9
195.11722	8.0
196.12582	2.8
197.09673	3.9
197.13261	13.1
198.10538	3.6
199.11211	19.0
199.14886	32.2
201.12817	17.6
201.14502	4.9
201.16391	67.3
203.10936	2.6
203.14423	12.0
203.17989	24.9
205.12247	5.9
205.15889	31.5
205.19492	4.4
207.11774	4.1
208.12469	3.4
209.13310	8.9
211.11172	2.9
211.14943	9.9
213.12793	10.0
213.16368	16.9
215.14357	11.6
215.17992	13.9
217.12340	12.1
217.15846	13.8
217.19382	3.4
219.17445	6.6
221.06026	4.3
221.13480	4.0
221.15401	5.3
223.14784	5.4
225.12788	6.4
225.16486	8.2
227.14476	5.0
227.17973	8.5
229.15947	5.3
229.19489	5.0
231.13846	6.4
231.17487	5.7
233.19034	3.3
235.14943	4.5
235.16977	4.9
237.05466	3.6
237.12851	4.7
237.16435	6.1
241.15919	6.7
241.19528	4.7
247.17007	7.6
249.18636	3.5
251.17857	4.0
253.19493	3.8
255.17480	3.4
265.04977	2.6
265.19476	3.9
267.17508	7.2
269.18719	2.8
269.22818	3.9
275.20578	2.9
277.15744	2.8
281.04520	3.3
283.20673	5.9
293.04559	4.1
299.20004	3.2
311.05426	3.2
323.27603	3.6
335.27264	2.9
389.28085	3.5
389.32410	4.4
393.27908	7.3
405.27805	2.8
407.11172	8.0
407.33240	35.2
417.27652	6.1
435.10660	5.9
435.33636	18.8
453.11896	5.7
453.20361	3.1
453.29672	63.4
453.34085	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	453.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.9
57.07063	2.5
65.03913	1.3
67.05512	10.8
69.03395	1.1
69.07051	5.2
69.07397	1.3
70.02742	4.5
79.05495	8.1
81.03401	1.6
81.07059	12.8
83.04971	1.8
83.08598	3.2
84.56797	1.0
91.05470	8.3
93.06550	1.4
93.07052	15.6
95.04931	2.0
95.08071	1.2
95.08611	16.8
97.06499	2.4
105.07037	26.4
107.08603	21.6
108.08939	1.4
109.06503	3.1
109.10173	15.2
111.08073	1.8
117.07006	4.6
119.08588	23.5
121.06459	3.2
121.09340	1.4
121.10149	15.0
123.08043	4.2
123.11662	2.6
125.09621	1.3
129.06960	1.8
131.08575	12.5
133.06458	1.1
133.10147	16.6
135.08058	6.4
135.11658	4.9
137.09595	1.3
142.07748	1.9
143.08554	7.5
145.06419	1.8
145.10120	18.7
147.08008	5.2
147.11693	10.5
149.09579	3.7
149.13229	3.4
151.07634	1.1
155.08580	2.2
156.09291	1.3
157.10184	5.8
159.08029	4.4
159.11703	12.7
161.09595	3.7
161.13281	6.0
163.11214	1.6
163.14766	4.3
165.09085	1.4
165.12708	1.7
169.10112	3.2
170.10797	1.5
171.07965	1.8
171.11743	6.7
172.08818	2.4
173.09622	8.8
173.13268	10.6
175.11195	4.4
175.14856	6.9
177.16370	2.5
179.14456	1.3
182.10899	1.3
183.11659	5.0
184.08769	4.0
185.09544	2.1
185.13208	4.7
186.10320	2.3
187.11156	3.6
187.14822	12.1
189.12700	2.8
189.16406	6.2
191.14243	4.2
193.15923	1.2
195.11676	1.5
197.09521	1.9
197.13321	2.3
198.10378	6.6
199.11177	14.5
199.14806	3.8
201.12761	14.5
201.16380	9.0
203.14294	8.9
203.17923	3.3
205.15834	4.3
207.11736	1.7
211.14789	1.4
213.12822	9.9
213.16354	3.0
215.14262	6.8
215.17923	3.7
217.12140	1.4
217.15904	2.2
221.13376	1.4
221.15373	4.8
223.14803	1.3
225.12689	1.3
225.16376	2.2
227.14232	2.1
229.19536	1.4
231.13799	20.1
231.17323	1.4
233.13293	1.5
247.16936	1.3
253.19476	1.3
255.17328	1.4
293.97809	1.1
298.37097	1.3
389.31949	2.1
407.33282	8.9
408.92374	1.2
417.27740	2.4
423.29077	8.9
435.28058	1.9
435.32986	2.0
453.29755	100.0
454.30081	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	453.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05512	2.4
67.05508	4.2
69.03428	1.6
69.07076	3.2
69.41871	3.8
69.42272	1.0
79.05504	5.3
81.03430	0.7
81.06627	1.0
81.07062	9.2
83.04967	0.8
83.08630	0.9
85.06556	1.2
91.05482	6.8
93.07063	8.3
95.04958	1.8
95.08613	8.2
97.06544	2.9
100.11258	1.1
103.05477	0.6
105.07034	13.1
107.08614	11.8
109.06546	3.5
109.10173	6.2
111.08091	1.3
115.05448	0.6
117.07021	2.0
119.08594	12.6
121.02901	1.0
121.06520	3.0
121.10162	9.2
123.08079	2.9
123.11730	1.9
125.09641	1.1
128.06288	1.1
129.07022	1.9
130.07840	0.6
131.08578	8.8
133.06548	1.4
133.10133	8.3
135.08066	2.3
135.11720	2.9
137.09656	1.9
141.06979	1.2
142.07816	1.9
143.08589	6.8
144.05583	0.6
144.09309	1.3
145.06458	2.6
145.10136	11.5
147.08102	3.5
147.11726	4.9
149.09619	2.5
149.13275	1.1
151.11234	0.7
155.08575	2.4
156.09357	4.1
157.06424	0.8
157.10159	5.8
158.07327	1.7
158.10858	1.0
159.08070	7.4
159.11705	7.5
160.08809	0.8
161.09581	3.6
161.13301	3.3
163.11209	2.3
163.14922	1.0
165.07115	0.6
165.12753	1.0
166.07678	0.6
167.08575	1.0
167.10683	1.1
169.06511	1.6
169.10144	4.2
170.10847	0.7
171.08054	7.3
171.11697	7.8
172.08870	4.3
172.12457	1.0
173.09633	7.7
173.13266	7.5
175.07600	0.8
175.11198	7.6
175.14888	3.6
176.15222	0.7
177.12819	1.1
177.16457	0.8
179.08572	1.1
180.09377	0.6
181.10156	2.5
182.07329	1.6
183.08101	2.0
183.11742	3.0
184.08861	15.4
185.09653	6.0
185.13257	2.5
186.10448	1.6
187.11201	11.8
187.14818	5.0
189.12779	3.3
189.16446	0.9
191.10735	0.7
191.14293	3.4
193.10091	1.3
193.15916	0.8
194.10963	0.6
195.08128	1.0
195.11757	1.8
196.08887	1.3
196.12450	0.9
197.09644	16.6
197.13293	1.5
198.10393	4.9
199.11203	63.0
199.14940	1.6
200.11649	1.4
201.12773	34.6
201.16335	3.1
202.13011	0.6
203.14363	5.1
205.15950	1.5
207.11696	0.7
209.09706	2.4
209.13310	1.3
210.10411	1.6
211.11188	8.7
211.14909	1.5
212.11893	0.9
213.12767	13.6
213.16287	0.8
215.10748	8.6
215.14291	6.9
217.12236	5.1
219.17474	2.3
221.15401	3.4
223.11192	1.9
223.14787	1.1
225.12758	6.0
227.14377	2.6
229.15906	1.4
231.13823	5.4
235.14806	0.7
237.12814	2.0
239.14348	2.3
239.16504	1.3
241.15984	3.3
243.17596	0.6
249.05482	0.6
251.14264	1.2
251.17979	0.7
253.15959	2.1
255.17609	1.4
265.15900	1.6
267.17459	2.5
269.19086	1.7
279.17426	0.7
281.19037	2.8
291.17374	0.8
293.18997	0.5
303.59985	0.5
312.54733	0.5
335.20032	0.6
359.23917	0.6
387.26746	1.0
389.28046	0.7
393.28082	0.7
399.26944	1.8
405.27985	1.6
417.28012	6.2
423.29160	0.9
435.10468	0.8
435.28973	10.1
436.29333	0.6
453.30032	100.0
454.30267	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	452.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
53.78123	1.0
55.01869	3.2
55.05518	4.5
56.05066	1.1
56.31958	0.9
57.03438	4.5
61.02928	2.5
67.05507	22.3
69.03437	15.2
69.05037	1.0
69.07073	9.9
69.59261	0.9
69.64201	4.2
69.64606	2.2
71.05003	8.8
73.02912	3.7
79.05497	7.7
81.03423	9.7
81.07066	19.5
83.04980	8.0
84.08154	8.1
85.02911	30.8
85.06559	5.4
87.00835	13.3
91.03950	1.2
91.05479	11.9
93.07057	11.2
95.04985	2.7
95.08604	3.0
97.02905	11.9
97.06535	1.4
99.04459	8.1
99.08091	1.9
105.01876	13.7
105.07041	18.1
107.08607	22.9
109.02885	10.4
109.06537	3.9
109.10164	49.1
109.10922	2.4
113.06030	4.3
115.03926	1.2
119.08602	1.8
123.11716	4.5
125.09666	1.9
127.03937	17.8
127.07587	4.0
131.08572	1.1
133.06519	5.7
133.10141	61.1
134.10497	2.0
137.05994	1.3
145.04971	7.5
145.10204	1.4
151.11198	66.5
152.11591	1.3
159.02916	4.6
160.12137	1.1
161.09550	1.7
169.12259	100.0
170.12585	1.2
187.11288	0.9
187.13290	5.3
189.12801	1.6
189.16360	1.1
191.14360	2.4
200.15259	1.2
213.04095	1.3
231.05020	3.7
237.11203	3.2
259.13254	1.5
452.22659	1.3
452.32468	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	453.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01870	1.2
55.05495	1.5
57.07089	0.7
57.69754	0.5
67.05494	0.9
68.39165	0.5
69.03439	7.2
69.07050	1.0
69.42603	1.9
69.43026	2.6
79.05502	8.6
81.07051	1.1
83.04978	3.7
83.08606	0.9
85.02921	1.4
87.00829	1.0
91.05495	2.3
93.07024	1.3
95.02946	0.6
95.04949	1.7
95.08603	1.1
97.02895	4.5
102.70936	0.5
103.05463	3.0
105.07046	6.1
107.08617	6.4
108.13380	0.5
109.06486	0.7
113.02380	1.0
115.03945	1.2
119.08578	3.1
121.06496	1.7
121.10150	2.9
123.08077	0.8
125.02374	2.0
131.08571	3.0
133.06500	100.0
133.10080	2.8
134.06830	1.8
135.08075	4.3
137.09578	0.6
143.03442	3.1
143.08540	1.0
145.10153	1.3
147.08046	1.3
147.11740	2.6
149.09608	1.2
149.13281	1.2
158.10922	1.1
161.04478	1.8
161.09631	1.7
163.11235	0.9
173.13300	3.4
176.11867	1.2
189.12759	10.5
191.14317	30.2
207.13878	2.4
445.31879	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	452.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66963	1.4
56.96552	1.8
57.03418	5.9
59.05005	1.7
60.04525	2.0
61.52568	1.4
63.39606	1.4
68.18520	1.4
69.03059	2.5
69.03425	23.9
69.44028	1.3
71.58105	2.0
76.89008	1.6
80.30199	1.4
81.03394	2.3
83.71313	1.4
85.02505	1.4
85.02911	17.4
86.05945	1.4
87.04471	14.7
91.09161	1.3
97.02896	17.7
98.97569	2.3
107.04949	3.4
109.02882	3.2
115.03937	19.5
123.04433	100.0
127.03903	6.9
133.02846	2.9
133.04959	26.6
141.05447	4.6
147.04408	2.4
147.24855	1.5
150.07648	4.0
165.05447	5.1
177.05438	3.4
206.85239	1.7
219.06421	2.0
237.02739	1.5
237.07648	2.7
329.67313	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	451.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
54.21758	3.7
55.05505	11.7
57.07084	6.0
57.53803	3.3
67.05509	27.0
69.07066	16.6
69.58412	22.8
79.05500	33.1
81.07063	80.3
83.04984	75.0
83.08611	4.5
91.05477	36.2
93.07056	53.7
93.75389	3.1
95.05012	15.7
95.08614	70.3
105.07034	73.0
107.08603	87.4
109.06515	13.0
109.10157	34.9
111.08083	7.5
117.07021	13.2
119.08589	100.0
121.10155	45.4
123.08084	16.8
123.11732	16.7
125.09641	7.9
127.07565	5.5
129.07028	7.4
131.08582	41.5
133.10129	46.9
135.08055	3.9
135.11714	24.2
137.09615	4.6
137.60539	3.2
142.07794	8.5
143.08583	23.6
144.09372	5.7
145.10136	65.3
146.10605	3.2
147.11705	47.3
149.13266	14.1
151.11211	5.0
155.08548	6.3
156.09337	4.4
157.10149	27.9
158.10817	3.8
159.11691	61.4
161.13260	31.9
163.14833	12.2
165.12782	4.4
169.10172	9.1
170.10889	3.3
171.11665	32.1
173.13290	37.7
175.14830	37.0
177.16434	8.0
181.10100	4.3
183.11699	10.1
185.13237	30.2
187.14841	30.4
189.16406	13.2
191.14296	4.0
193.15906	4.1
197.13269	12.7
199.14861	29.3
201.16386	36.4
203.14391	5.7
203.17981	6.6
205.15862	7.4
209.13373	6.0
211.14810	6.8
213.16393	24.1
215.17929	8.6
217.15930	16.4
219.17384	7.8
221.13301	3.4
223.14720	4.3
225.16408	4.2
227.17940	6.8
229.15816	7.3
231.17462	12.9
237.16403	5.7
239.18036	10.6
241.19498	12.9
245.15329	7.9
247.17027	4.3
253.19562	7.9
259.16983	15.5
267.21219	5.6
273.18472	6.4
285.18457	4.9
291.21198	4.2
299.20453	4.0
309.22061	3.6
313.21881	3.2
347.27271	10.2
355.26428	3.7
387.30298	10.9
393.27814	24.7
405.26617	4.4
405.31583	47.8
433.30981	11.8
451.26266	5.4
451.32117	68.7
467.17050	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	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03953	4.6
54.34480	3.0
55.05504	11.6
67.05504	27.0
69.03407	3.9
69.07054	14.0
69.95692	15.9
79.05492	24.2
81.07068	46.8
83.08611	9.4
89.72990	3.5
91.05069	2.8
91.05496	35.7
93.07044	57.2
95.04932	6.5
95.08609	65.9
97.06530	13.9
103.05451	5.5
105.06382	4.3
105.07036	58.8
107.08598	68.3
109.06503	5.7
109.10160	29.0
111.08090	6.6
116.89419	3.1
117.07011	11.4
119.08591	95.4
121.10155	42.9
123.08047	6.9
123.11674	11.9
125.09611	12.0
128.54668	3.3
129.07025	8.4
131.08578	36.8
131.58812	3.2
133.10124	52.9
135.08055	7.0
135.11699	15.4
136.69395	3.0
137.09615	10.4
142.07724	4.3
143.08566	21.9
144.09325	3.8
145.10136	57.1
147.08061	3.9
147.11681	34.1
149.13258	14.7
155.08553	9.2
156.09338	12.0
157.10159	38.8
158.10957	4.2
159.11700	46.1
161.09662	6.6
161.13277	20.7
163.11156	6.4
163.14828	13.2
167.08542	6.1
169.10107	12.4
170.10954	4.3
171.11691	30.5
173.09662	3.6
173.13301	32.4
175.11209	5.7
175.14822	42.6
177.09161	3.6
177.12642	5.9
177.16347	11.9
181.10126	5.4
182.10928	4.4
183.11691	17.1
185.13258	19.1
187.11139	4.9
187.14842	50.6
189.16377	15.8
191.14290	4.3
191.17897	3.1
193.15900	4.3
195.11705	7.7
196.66342	3.1
197.13341	17.1
199.14833	19.5
201.12653	6.0
201.16426	30.8
203.14349	9.8
203.17950	13.0
205.15912	5.2
209.13252	6.5
211.14792	12.2
213.16389	19.9
215.14357	13.3
215.17934	11.6
217.12172	3.7
217.15822	10.2
221.15363	4.5
223.14824	6.1
225.16325	12.1
227.18021	7.3
229.15880	13.4
231.17465	12.5
237.16455	17.5
239.17882	12.1
241.19496	11.4
243.17412	4.8
245.15347	4.7
247.16919	11.3
249.16309	4.0
251.18071	6.6
253.19472	6.8
259.17017	5.0
261.18533	5.1
265.19324	4.2
267.21066	5.9
273.18472	5.7
277.19482	5.2
281.22400	4.3
283.20325	3.8
285.18427	8.9
291.21036	6.0
293.22632	4.9
309.22107	10.5
321.25580	5.2
325.21655	3.7
335.49146	3.4
341.24570	3.9
356.12231	3.5
366.43448	3.4
367.26096	4.3
387.30377	11.3
389.50702	3.4
405.26572	4.9
405.31522	66.4
423.32159	3.9
433.31097	31.6
451.32095	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	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03955	2.6
55.05521	15.2
57.07076	3.7
65.03924	2.9
67.05510	20.7
67.25747	1.7
69.06760	2.0
69.07073	18.7
69.58302	10.9
71.02484	1.7
72.11172	1.6
73.33236	1.7
79.05502	23.3
81.07066	46.1
83.04991	30.1
83.08618	5.4
90.13187	1.7
91.05481	31.3
93.07051	45.7
95.04966	7.3
95.08608	55.8
96.25238	1.4
97.06556	2.1
97.10173	4.5
99.08086	3.8
103.05447	2.4
104.23187	1.8
105.07035	59.4
107.04995	1.9
107.08601	79.8
109.06547	8.0
109.10156	28.8
109.99676	1.5
111.08098	6.9
115.05428	2.4
117.07043	11.8
119.08588	74.5
119.73077	1.9
121.06534	1.8
121.10149	36.3
123.08061	5.9
123.11706	12.8
125.09650	7.2
128.06252	2.8
129.07008	10.0
130.07800	3.7
131.08577	30.7
133.10135	42.3
135.11703	18.4
137.09599	6.6
137.13257	2.6
141.06946	3.8
142.07806	5.8
142.82664	1.6
143.08569	24.2
144.09360	3.9
145.10133	67.4
147.11707	39.8
147.12878	1.1
149.09630	3.5
149.13286	14.9
151.07512	1.7
151.11171	4.9
153.09138	3.8
155.08591	6.2
156.09349	5.3
157.10126	32.0
158.10915	3.3
159.08080	2.4
159.11707	38.8
161.09654	4.2
161.13290	16.8
163.07576	2.7
163.11244	3.2
163.14828	10.3
165.12831	4.9
167.08592	3.7
169.10133	15.8
170.10953	4.2
171.11710	27.3
173.09680	1.8
173.11795	1.8
173.13271	31.5
175.11258	2.4
175.14853	44.6
177.16376	10.4
180.93855	1.6
181.10124	4.1
182.10995	2.4
183.11703	12.5
184.12497	2.9
185.13268	20.1
187.14822	24.8
189.16403	15.0
193.15923	3.5
195.11713	8.7
197.13283	13.4
199.14870	23.7
201.12888	1.8
201.16400	26.4
203.14407	3.0
203.18002	5.2
205.15851	3.8
207.11720	2.5
209.13342	3.8
211.14819	9.9
213.16406	19.8
215.14357	4.7
215.18089	4.9
217.12320	2.3
217.15952	9.1
219.13771	2.3
219.17508	1.9
221.13295	2.9
221.15315	2.5
223.14882	6.2
225.16380	11.6
227.17987	11.5
229.15897	4.1
231.17494	5.2
235.14912	3.8
237.16425	6.9
239.17937	13.6
241.15910	2.6
241.19495	24.1
245.15370	3.1
247.17047	7.9
249.16331	3.7
251.17990	6.7
253.19527	9.1
255.21150	3.0
257.18863	2.7
259.17004	7.4
259.20514	3.2
263.17984	2.9
265.19510	3.5
267.21143	5.9
269.19067	2.2
271.17035	3.1
273.18668	4.7
279.21262	2.3
281.22635	3.2
285.18488	6.9
287.20078	3.4
291.21097	4.8
293.22598	3.0
295.24255	3.4
297.21994	1.9
299.20123	5.1
307.23883	2.1
309.22174	4.0
311.20193	2.9
313.21851	2.0
317.22739	2.4
327.23181	3.4
333.25870	2.7
341.24994	3.9
347.27383	8.4
355.26501	1.9
363.26791	3.4
387.30478	10.2
389.32117	3.9
393.27863	33.6
405.31549	55.2
406.31921	2.3
407.33200	3.9
409.27179	2.3
412.49207	1.8
423.32556	3.1
433.31036	17.7
451.32129	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	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.01867	1.8
55.05518	14.6
59.04996	2.5
59.21206	1.5
65.03944	3.1
67.05229	2.0
67.05517	24.8
67.66392	1.8
69.03439	2.9
69.07072	15.8
69.42815	15.0
71.04997	2.6
79.05507	22.4
81.06580	2.3
81.07063	43.4
83.04977	6.0
83.08630	9.2
91.05490	26.6
93.07051	45.2
95.04978	25.2
95.08618	58.2
97.06537	4.5
97.10168	4.5
105.07039	57.5
106.94911	1.8
107.08605	76.8
109.06509	8.7
109.10165	33.5
111.08083	5.1
115.05455	2.3
117.07039	9.5
117.36628	1.7
119.08594	72.2
121.06502	1.8
121.10146	35.6
123.08100	10.4
123.11729	13.3
125.09650	15.9
128.06212	3.3
129.07031	6.4
130.07841	2.7
131.08591	32.6
133.10143	53.7
133.19246	2.0
135.08026	2.9
135.11720	13.7
137.09615	3.8
141.06976	3.2
142.07774	6.6
143.08589	19.6
144.09357	3.0
145.10143	49.9
147.11707	33.0
149.09676	2.2
149.13303	8.7
151.11206	5.3
153.09084	3.0
155.08586	6.0
156.09377	5.6
157.10139	28.2
158.10934	4.5
159.11705	41.9
161.09654	5.1
161.13258	21.9
163.11221	2.8
163.14857	9.4
165.12762	2.7
167.08661	1.8
168.09381	3.3
169.10130	8.4
170.10844	2.5
171.11739	22.2
172.12614	2.5
173.09685	2.0
173.13272	37.4
175.11244	3.1
175.14851	27.6
177.12775	2.9
177.16379	7.0
179.10703	2.4
181.10167	5.0
182.10970	2.6
183.11705	13.6
185.13260	17.2
186.14000	2.2
187.14847	38.6
189.16423	18.8
190.69998	1.9
191.14305	4.3
193.15936	4.6
195.11707	4.5
197.13223	12.2
199.14850	31.3
201.12785	2.6
201.16412	55.6
202.16772	2.0
203.14310	12.1
203.17993	13.0
205.15860	11.0
207.11853	2.9
209.13251	2.4
211.14909	8.3
213.16393	24.4
215.14445	8.6
215.17973	10.2
217.15900	8.8
219.13937	3.0
219.17444	3.8
221.13237	3.1
223.14867	6.1
225.16449	9.1
227.18053	11.2
229.15918	2.2
229.19617	3.3
231.17502	5.3
233.15498	4.5
237.16408	4.8
239.18076	9.2
241.19566	6.7
243.17738	2.7
245.15401	9.8
247.16933	7.2
251.17978	4.7
253.19577	10.9
255.21138	3.4
259.16974	5.8
261.14978	2.4
265.19601	3.1
267.21027	5.0
271.16766	2.8
273.18436	5.0
279.21155	4.9
281.22589	2.9
285.18518	5.2
287.20334	3.4
291.21219	2.5
299.20236	4.0
313.21811	2.1
324.10745	1.9
325.21750	2.7
337.21689	2.5
347.27444	2.6
355.26392	2.5
363.26877	2.1
377.32318	2.9
387.30484	10.5
393.28134	4.6
405.31604	59.7
406.32056	2.8
407.33316	5.2
423.32678	4.5
433.31165	30.5
451.32123	100.0
452.32349	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	451.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.05515	15.5
57.07071	3.4
64.79202	1.5
65.03947	2.7
67.05510	19.0
69.03442	3.1
69.07073	20.6
70.11110	4.3
70.11525	2.8
79.05494	18.0
81.07060	41.2
83.04980	14.3
83.08627	5.2
85.06531	1.9
91.05482	29.6
93.06464	2.7
93.07050	40.4
95.04971	17.1
95.08609	59.7
97.06537	3.3
98.20833	2.1
99.08083	2.4
105.07034	69.0
107.08598	68.4
109.06509	5.3
109.10167	26.5
111.04418	1.8
111.08076	4.6
115.05465	2.1
117.07006	11.3
119.08584	90.0
121.06536	2.7
121.10150	38.9
123.08092	8.2
123.11716	11.5
125.06097	1.9
125.09641	4.4
128.06236	2.9
129.07027	6.2
130.07811	3.8
131.08577	43.8
133.06506	2.2
133.10135	60.7
135.08055	4.4
135.11708	17.4
137.09567	3.4
137.13254	2.7
141.06992	3.5
142.07774	5.5
143.08565	18.6
144.09381	4.2
145.06525	1.6
145.10126	68.6
147.08029	2.5
147.11696	40.2
149.09633	4.8
149.13297	13.6
151.07532	1.8
151.11215	3.2
153.09167	2.1
155.08577	5.4
156.09392	5.5
157.10130	24.8
158.10901	2.4
159.08069	3.3
159.11702	51.6
161.09648	4.6
161.13257	30.6
163.07591	3.1
163.11183	4.1
163.14841	12.7
167.08549	2.7
168.09277	2.0
169.10060	8.4
170.10918	4.5
171.11676	20.4
172.12418	1.9
173.09676	2.3
173.13261	34.2
173.30302	1.6
175.11198	4.3
175.14835	35.8
177.09102	2.4
177.12778	2.8
177.16380	13.7
179.10674	3.2
181.10138	3.5
182.10983	3.0
183.11707	8.2
184.12463	3.0
185.13290	16.3
186.14131	2.2
187.11285	1.9
187.14833	48.2
187.16434	3.4
189.12790	3.7
189.16402	26.2
191.10770	2.0
191.14319	3.7
191.17940	3.3
193.15900	4.4
195.11754	4.8
197.13266	9.4
198.14099	1.7
199.14839	29.1
201.12761	5.4
201.16389	100.0
202.16841	1.6
203.14355	19.1
203.17963	32.2
205.15874	28.2
209.13359	3.9
211.14864	8.2
213.16397	19.8
215.14442	7.3
215.17978	10.4
217.12424	1.8
217.15910	13.0
219.17365	7.8
223.14908	4.3
225.16496	7.7
227.18008	8.9
229.15904	6.2
229.19647	3.3
231.17426	5.5
233.15440	2.5
235.14816	3.9
237.16469	4.5
239.18007	8.4
241.19539	8.2
243.17459	3.6
243.21138	2.1
245.15434	4.5
247.16953	24.8
251.17938	3.1
253.19530	5.4
257.19162	4.9
259.17026	4.6
263.18015	2.5
265.19589	3.6
267.21106	4.8
269.19153	3.9
273.18478	2.1
277.19699	2.1
279.21182	3.8
285.18488	2.9
291.21066	1.8
297.18362	1.7
299.20099	2.3
309.22296	2.0
325.21588	1.8
339.22995	1.8
347.27417	4.7
349.21579	2.0
355.26379	2.2
387.30710	7.3
393.27847	11.3
405.31555	43.0
407.33060	4.8
423.32559	6.0
433.31018	18.7
451.32132	83.3
452.32816	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	451.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50783	2.2
55.05514	19.7
57.07064	3.7
64.84087	2.5
65.03968	4.6
67.05516	26.6
69.03451	2.8
69.07074	14.2
69.45641	18.3
71.05000	3.7
79.05495	23.1
81.07068	52.3
83.04980	10.3
83.08636	10.2
91.05489	30.5
93.07059	58.4
95.04976	23.9
95.08038	5.0
95.08616	65.1
97.06537	4.0
97.10133	2.3
98.21603	2.8
99.08110	8.6
105.07041	65.7
107.08604	98.0
109.06541	7.8
109.10166	36.1
111.08090	7.2
115.05487	3.5
117.07017	12.0
119.08594	100.0
121.06541	3.9
121.10160	51.1
123.08076	15.9
123.11764	14.9
125.09668	13.5
128.06253	3.7
129.07034	7.4
131.08592	46.5
133.10149	48.3
135.08076	3.0
135.11710	23.7
137.09607	4.4
137.13284	3.1
141.06966	2.9
142.07806	7.7
143.08588	24.1
144.09363	2.5
145.10144	69.5
147.08031	3.5
147.11705	34.1
149.06079	2.4
149.09657	3.0
149.13318	10.8
151.11194	4.7
153.09160	4.4
155.08571	9.4
156.09364	9.9
157.10139	44.0
158.10989	4.4
159.08051	3.4
159.11705	56.8
161.09583	2.8
161.13277	25.0
163.07564	3.4
163.11147	4.4
163.14851	6.4
165.12750	4.6
169.10149	14.6
170.10933	3.5
171.11717	27.5
172.12486	3.2
173.13290	44.2
175.11127	3.5
175.14847	25.9
177.09117	2.5
177.12799	4.1
177.16411	11.6
179.10648	2.9
181.10196	3.1
182.10928	2.3
183.11729	14.1
183.68622	2.3
184.12531	4.4
185.13286	24.1
187.11168	2.8
187.14867	43.7
187.25185	2.2
189.09113	2.6
189.16376	15.6
192.57509	2.3
195.11646	5.7
197.13246	14.9
199.14842	48.1
201.12723	3.4
201.16417	63.9
203.14355	9.1
203.18039	6.7
205.15887	26.4
209.13330	6.9
211.14877	13.7
213.16422	35.0
215.14491	3.2
215.18106	5.5
217.15881	12.5
219.13785	3.0
219.17557	7.4
223.14874	6.8
225.16396	10.3
227.18037	11.6
229.15961	4.1
229.19698	3.4
231.17551	5.1
233.15442	5.8
233.19141	2.8
239.18007	8.4
240.71477	2.7
241.19537	15.4
245.15398	12.5
247.17055	11.4
251.18016	5.7
253.19656	7.8
257.15463	5.1
257.19070	2.7
259.16983	8.6
263.18073	2.9
265.19629	4.9
267.21082	2.9
271.20715	2.5
277.19666	3.1
281.22754	4.9
283.20819	2.5
285.18689	3.2
297.22226	4.3
313.21759	3.8
327.23215	3.1
355.26572	4.4
363.26743	3.3
387.30750	11.1
393.27945	7.2
405.31598	70.1
407.33249	6.5
433.31116	22.2
451.32159	90.3
452.32639	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	451.3212
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
51.60408	2.2
55.05519	16.5
57.07071	5.3
62.44712	1.9
63.38446	2.0
67.05517	19.5
67.51355	2.2
69.03429	6.2
69.07068	16.7
69.83905	8.7
69.84317	4.9
73.28812	2.0
74.57526	2.5
79.05486	17.5
81.07059	44.4
83.04984	9.0
83.08639	6.8
91.05490	24.6
91.87929	2.8
92.94530	2.3
93.07050	39.6
95.04977	4.2
95.08619	59.1
97.06554	4.5
97.10187	3.4
98.20782	3.2
99.08100	4.1
105.07040	69.9
107.05017	2.2
107.08604	67.6
108.95009	2.7
109.06542	6.1
109.10172	36.9
111.08099	5.0
117.07035	12.8
119.08588	100.0
121.10154	38.9
123.08080	6.5
123.11712	15.3
125.09673	7.0
128.06227	3.8
129.07083	4.9
131.04990	2.7
131.08575	47.0
133.10144	58.4
135.08087	5.0
135.11714	18.1
137.09644	5.8
142.07816	5.7
143.08568	21.1
144.09322	4.6
145.10127	74.9
147.08099	4.7
147.11710	35.1
149.09610	3.1
149.13255	13.0
151.11230	5.5
153.09109	2.5
155.08578	5.2
156.09373	5.3
157.10153	30.9
158.10910	2.4
159.07999	2.7
159.11726	47.7
161.09673	3.2
161.13281	28.9
163.11136	3.7
163.13640	2.6
163.14810	11.6
165.12820	2.5
169.10120	11.2
170.11000	4.2
171.11731	26.9
172.12402	3.2
173.13293	44.3
173.84561	2.1
175.11263	4.7
175.14825	33.7
177.12823	3.0
177.16434	12.1
181.10181	4.7
183.11723	13.6
184.12454	3.3
185.13258	22.3
187.14827	69.3
189.16405	32.4
191.14381	7.0
193.15959	2.4
195.11737	3.9
197.13338	11.7
198.85239	2.3
199.14847	41.6
201.12796	5.4
201.16411	67.3
203.14441	8.3
203.17976	13.0
205.15909	26.2
209.13315	3.7
211.14902	9.4
213.16373	25.9
213.17978	2.2
215.14424	5.3
215.17941	12.2
217.15810	10.3
219.17464	6.5
223.14760	4.1
225.16469	7.1
227.17987	7.9
229.16022	6.4
229.19588	2.5
231.17487	7.0
233.15565	3.1
237.16473	5.5
239.18027	7.1
241.19592	7.9
245.15448	5.8
247.17036	7.0
251.18080	2.8
253.19597	7.1
255.21286	4.1
257.19031	4.9
259.17004	7.9
265.19656	3.8
267.21127	5.3
277.19464	2.8
281.22668	2.8
283.20740	3.1
285.18488	2.3
299.20193	3.1
367.26215	2.3
377.32120	3.8
387.30603	8.8
405.31595	54.2
406.32397	2.8
407.33234	8.3
421.31149	3.6
423.32758	3.8
433.30878	16.5
451.32217	86.1
452.32376	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	451.321
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03952	4.7
55.05512	21.8
57.07060	4.7
59.04996	1.8
65.03938	2.8
67.05508	34.5
69.03413	2.5
69.07075	14.4
69.42920	14.8
77.03933	2.1
79.05495	25.3
81.07061	58.6
83.04991	11.2
83.08630	11.1
88.51997	2.2
91.05479	34.6
93.07050	60.6
94.29062	1.9
95.04973	36.6
95.08611	70.6
97.10165	5.6
99.08102	4.6
103.05471	2.0
105.04546	1.9
105.07034	77.1
107.08599	88.8
109.06515	10.2
109.10156	38.9
111.08097	8.6
115.05444	2.6
116.06228	2.1
117.07037	11.7
118.92135	1.7
119.08589	98.3
121.06472	2.4
121.10145	49.4
123.08077	16.4
123.11725	19.9
125.09657	17.3
128.06180	3.7
129.07011	9.2
130.07782	2.7
131.08574	41.1
133.10138	53.2
135.11696	22.5
137.09659	7.8
141.07028	3.6
142.07767	8.1
143.08565	24.3
144.09363	6.1
145.10127	64.6
147.07977	3.1
147.11696	39.3
149.09662	4.3
149.13278	12.3
151.11180	5.6
153.09186	2.8
155.08504	9.2
156.09369	6.8
157.10130	39.8
158.10895	4.7
159.11691	57.1
161.13275	26.5
163.07585	4.7
163.14789	10.5
168.09337	3.1
169.10121	11.7
170.10860	3.7
171.11714	33.0
172.12448	3.2
173.13272	37.5
175.01410	3.5
175.11247	3.6
175.14864	27.9
177.09099	3.0
177.12794	2.5
177.16313	9.9
181.10214	5.7
183.11693	14.4
184.12517	4.4
185.13287	28.3
186.14032	2.2
187.11230	2.9
187.14845	45.0
189.16379	15.2
191.10725	2.4
191.14319	3.6
191.17953	4.1
193.10184	2.2
193.15895	5.9
195.11697	5.2
197.13260	14.6
198.14082	3.5
199.11026	1.9
199.14825	43.0
201.16389	55.2
203.14267	9.1
203.18028	6.6
205.15860	11.3
206.99039	2.0
207.11656	4.1
209.13274	5.2
210.14018	2.7
211.14844	14.2
213.16402	38.9
215.14384	4.1
215.17946	8.9
217.15814	11.4
219.13902	5.1
219.17484	4.9
223.14830	5.5
225.16321	12.3
227.14343	3.0
227.17934	12.3
229.15903	3.7
231.17436	7.1
233.15387	6.4
237.16441	6.4
239.18002	9.1
241.15764	2.2
241.19577	8.7
245.15338	14.7
247.16980	8.7
251.17928	4.7
253.19492	10.5
255.21138	5.1
257.15613	2.3
259.17062	10.4
259.20581	2.4
263.17938	2.6
265.19464	5.4
267.21048	4.6
273.18555	5.3
277.19714	2.9
279.21082	4.9
281.22659	5.5
283.20517	3.5
285.18466	4.0
287.20145	2.6
291.21136	3.5
293.22711	3.4
299.19977	5.3
299.23532	2.5
309.22272	3.7
327.23172	3.0
333.25797	2.5
347.27307	2.3
355.26352	3.3
387.30307	11.7
393.27875	7.8
405.31537	100.0
406.31973	5.6
407.33267	9.1
421.31018	4.4
423.32892	3.1
433.31055	27.0
451.32120	96.5
452.32404	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	451.321
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03939	3.0
55.05513	13.5
57.07086	2.8
62.24068	1.3
65.03935	3.4
67.05505	18.3
69.03424	2.3
69.07068	17.2
69.23112	1.2
69.46218	8.5
69.46624	2.6
77.04847	1.3
79.05499	16.4
81.03418	1.9
81.07059	40.6
83.04982	5.0
83.08614	6.2
85.02916	1.3
85.06552	2.9
91.05480	25.0
93.07050	39.5
95.04977	21.9
95.08612	51.1
96.70490	1.6
97.06541	3.8
97.10210	2.8
99.08025	1.5
101.11888	1.4
103.05473	2.3
105.07038	60.3
107.08602	64.3
109.06512	8.2
109.10163	28.6
111.08090	5.1
115.05494	2.2
117.07008	11.9
118.07787	1.6
119.08589	75.8
121.06523	1.8
121.10157	35.8
123.08067	9.4
123.11730	9.0
125.09611	8.1
128.06223	2.8
129.07004	6.6
130.07764	2.1
131.08580	37.3
133.10141	66.0
135.08109	3.0
135.11694	13.9
137.09642	2.6
137.13208	3.4
139.07533	1.5
139.11143	1.5
141.06998	2.2
142.07803	4.2
143.08560	17.3
144.09322	3.2
145.10136	65.7
147.08121	1.8
147.10519	2.2
147.11688	42.9
149.09674	4.0
149.13303	9.7
151.11221	3.1
153.09186	1.9
155.08546	5.2
156.09377	3.8
157.10149	27.2
157.16902	1.4
158.10902	4.3
159.08133	3.0
159.11699	48.1
160.12280	1.6
161.09666	4.4
161.13269	24.0
163.11230	2.5
163.14832	10.6
165.12758	1.3
169.10162	10.0
170.10939	4.0
171.11682	17.6
173.09785	2.7
173.13283	39.3
175.11218	3.3
175.14828	31.5
177.09222	2.6
177.12804	2.5
177.16367	11.8
179.10707	3.3
179.14340	1.8
181.10173	3.5
182.10899	2.9
183.11711	7.3
184.12454	2.2
185.13274	16.3
187.11200	2.7
187.13148	2.3
187.14816	36.7
189.12743	2.7
189.16394	22.3
191.10707	2.7
191.14348	4.6
193.15910	2.3
195.11731	4.7
197.13274	11.0
199.14839	29.3
201.16394	100.0
203.14349	14.8
203.17960	33.2
203.45709	1.6
205.15875	20.6
209.13275	3.0
211.14839	7.2
213.16400	24.6
215.14362	7.3
215.17937	10.7
217.12262	1.8
217.15886	9.9
219.13838	2.5
219.17491	5.1
221.13240	2.8
223.14883	3.6
225.16466	6.6
227.17960	10.0
229.15970	6.3
229.19574	3.7
231.13971	1.6
231.17477	6.0
233.15378	1.9
235.14804	2.2
237.16484	4.7
239.18030	7.7
241.19514	6.6
243.17586	3.4
245.15472	4.5
245.19196	1.4
247.14534	1.6
247.16968	23.0
249.14647	2.2
251.18074	4.8
253.19505	8.2
255.21059	2.2
259.16895	3.2
265.19543	5.0
267.21143	2.5
269.19028	2.4
271.17139	1.9
273.18585	3.1
277.19586	1.8
279.21255	4.0
281.19379	1.5
281.22720	1.8
285.18546	3.8
287.19958	2.3
299.20108	3.8
309.25616	1.9
319.24188	2.0
325.21631	1.9
333.25754	2.0
335.23740	1.5
341.24783	1.7
347.27496	2.6
349.25302	2.3
355.26340	3.4
363.26831	1.9
377.24466	1.5
387.30478	10.7
389.32141	2.9
393.27905	4.8
405.31570	49.6
407.33182	7.7
409.27402	1.9
423.32559	5.4
433.31116	19.6
451.32135	92.8
452.32632	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	451.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.5
57.07064	7.7
67.05508	34.6
69.03402	3.6
69.07082	25.2
71.59263	4.3
79.05490	22.6
81.07065	43.3
83.08617	22.9
91.05481	21.3
93.07059	45.4
95.04976	6.2
95.08617	66.1
97.10200	5.3
105.07041	54.2
107.08601	59.9
109.06467	5.5
109.10153	29.9
117.06996	10.3
119.08585	100.0
121.06527	6.7
121.10147	49.4
123.08021	4.9
123.11698	10.8
128.06184	6.0
129.07037	6.0
131.08575	38.1
133.10130	54.0
135.08057	38.6
135.11754	23.0
137.13211	4.5
142.07841	5.3
143.08611	22.2
144.09352	7.8
145.10133	61.2
147.11707	31.5
149.02292	4.0
149.09616	8.0
149.13280	17.3
151.07501	4.4
151.11150	3.5
155.08563	8.3
156.09325	5.6
157.10132	26.3
158.10829	7.2
159.11722	49.4
161.09618	11.8
161.13339	17.8
163.07535	6.2
163.11189	9.2
163.14824	9.4
169.10115	10.7
170.10966	5.1
171.11641	22.9
173.13293	41.8
175.14825	28.4
177.16348	14.5
183.11702	12.5
183.20947	4.9
185.13245	18.6
187.11186	4.0
187.14828	46.7
189.12721	6.9
189.16345	23.2
191.18076	8.1
195.11736	8.4
197.13309	11.8
199.14853	28.6
201.12663	8.1
201.16414	32.8
203.14339	27.3
203.17928	20.0
205.15898	38.0
209.13229	7.2
211.14828	11.0
213.12909	4.3
213.16380	16.1
215.14323	11.4
215.17963	8.0
217.15884	3.7
219.13939	4.6
225.16357	8.2
227.17873	5.0
229.15897	5.2
231.13892	4.4
231.17465	6.9
235.14795	4.7
237.16566	6.8
239.18024	7.4
241.19653	6.2
245.15273	6.7
247.17039	5.7
251.18011	7.0
257.15295	4.7
265.19876	4.2
339.23105	4.2
387.30292	14.1
398.98407	4.3
405.31549	39.9
407.29266	9.6
433.25806	3.4
433.31290	26.1
451.32211	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31633	2.6
53.03939	3.6
55.05510	15.2
65.03924	3.8
66.22216	2.5
67.05508	24.3
69.03412	3.2
69.07059	16.3
70.02423	6.9
70.02834	7.3
79.05489	20.9
81.03421	4.4
81.07058	40.5
83.04978	19.6
83.08624	7.6
85.06582	2.7
91.05484	34.1
92.41910	2.5
93.07047	44.1
95.04983	8.7
95.08612	70.2
97.06529	3.4
97.10196	4.9
98.55232	2.7
99.08092	4.6
105.07034	70.0
107.08595	70.0
109.06551	5.2
109.10165	34.0
111.08092	6.1
115.05437	2.9
117.07014	12.9
119.08590	100.0
121.06542	2.8
121.10159	38.6
123.08070	8.3
123.11710	14.6
125.09648	5.7
128.06226	4.9
129.07021	6.5
131.08575	46.6
133.10143	52.1
135.08055	7.8
135.11710	18.6
137.09634	7.0
141.06984	4.3
142.07826	8.1
143.08577	23.3
144.09279	6.7
145.10127	81.2
145.11269	3.9
147.08087	4.9
147.11700	48.3
149.13286	11.3
151.11186	3.2
153.09088	3.1
153.24391	2.6
155.08609	8.0
156.09363	7.9
157.10139	38.2
158.11002	3.9
159.11705	54.0
161.09659	5.1
161.13289	24.1
163.07640	4.2
163.11169	3.2
163.14853	11.5
167.03288	3.5
169.10147	12.8
170.10948	8.9
171.11688	32.0
173.09708	4.7
173.13275	48.0
175.11227	8.9
175.14827	46.3
177.09123	2.8
177.16409	10.8
181.10179	3.3
182.11035	2.7
183.11737	11.2
184.07462	5.5
184.12505	4.0
185.13309	32.0
187.14833	52.4
187.16432	4.2
189.16429	11.6
191.14374	5.7
191.17920	3.6
193.15901	4.4
195.11713	7.7
197.13278	10.2
199.14838	42.9
201.12859	4.9
201.16402	63.5
202.06177	4.2
203.06737	8.3
203.14363	15.0
203.17990	46.6
205.15883	19.3
208.12566	2.8
209.13300	3.4
211.14864	12.8
213.16418	34.4
215.18024	7.6
217.15952	7.3
219.17508	4.8
221.15477	5.0
223.14844	3.5
225.16446	4.8
227.17957	9.9
229.15906	6.9
231.17471	8.7
239.17938	8.1
241.19551	6.5
245.15298	8.9
247.17030	9.1
253.19641	5.2
265.19559	3.8
267.21176	2.9
271.04272	5.4
273.18597	5.9
281.22739	4.9
284.44608	2.9
295.24197	3.8
387.30643	15.2
405.31525	61.2
407.13260	25.7
423.32458	5.9
433.31149	16.9
451.12192	91.2
451.32156	94.8
452.12268	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	451.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93787	6.3
55.05506	13.7
67.05505	14.2
69.03404	14.5
69.07068	13.2
70.06587	21.6
71.58929	9.1
79.05492	24.0
81.03429	7.4
81.07059	37.2
83.04974	25.6
86.09711	24.7
91.05471	23.0
93.07052	34.8
95.04980	18.8
95.08620	37.4
97.02917	8.7
97.06533	27.8
99.04459	21.4
105.07027	33.1
105.90774	7.9
107.05015	6.5
107.08621	24.7
109.06506	18.9
109.10132	7.9
111.08098	14.1
117.07029	6.8
119.08572	16.8
120.01577	6.2
120.08063	19.4
121.06503	66.7
123.11720	10.1
125.05993	18.5
127.03936	10.0
133.06442	7.4
133.10149	16.4
135.08067	17.2
137.05927	11.4
139.07542	21.8
141.34401	6.1
142.07806	6.5
143.07019	18.4
145.10141	11.3
147.11713	41.1
157.10170	14.9
159.06573	10.0
159.33508	7.0
163.03951	17.9
165.12723	8.0
169.12225	10.5
171.11649	10.0
175.11176	19.5
189.12776	21.9
193.12267	23.1
199.11203	23.6
207.13809	12.6
211.13289	27.6
217.12297	65.4
226.66638	6.6
235.13309	100.0
242.29965	7.6
253.14375	68.5
289.06073	8.2
289.11871	13.1
308.08969	6.2
364.37222	8.6
387.97427	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	451.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55814	0.5
53.03947	0.6
55.01884	0.6
55.05505	0.9
57.38595	0.4
67.05506	1.1
69.03429	1.6
69.07046	0.5
69.55401	0.4
69.55833	0.4
69.63869	0.9
69.64284	1.8
79.05498	1.5
81.03423	0.6
81.07050	2.6
83.04979	0.6
85.02917	2.5
91.05495	3.8
93.07038	2.0
94.06577	0.9
95.04974	0.9
95.08617	3.0
96.08109	0.9
97.02897	1.5
100.11300	0.4
104.65725	0.4
105.07040	3.5
106.06564	1.4
107.08598	2.2
108.08111	0.6
109.06528	0.8
109.10142	1.4
117.05766	0.6
117.07080	0.9
118.06539	2.7
119.07338	0.7
119.08591	5.0
120.08112	12.5
121.10147	1.7
122.09678	1.0
123.08054	0.5
124.07591	7.1
125.09674	0.5
125.14026	0.4
126.09132	0.6
127.03920	0.9
129.07018	0.7
131.04958	0.5
131.08559	2.2
132.81694	0.4
133.10159	2.8
134.06041	5.1
135.08075	0.5
135.11676	0.8
136.07582	3.6
137.09691	0.4
138.05516	1.4
138.09113	0.5
142.07761	0.5
143.08565	1.3
144.09364	0.8
145.10147	3.6
146.05939	2.6
147.06827	2.3
147.11705	1.7
148.07584	11.1
148.08701	0.9
150.09212	0.9
152.07112	0.6
156.09377	0.6
157.10123	1.9
159.11703	8.6
161.13268	0.8
164.07074	59.7
165.07564	1.1
166.08659	2.1
169.10109	0.8
171.11685	1.8
173.13321	2.4
175.14841	1.7
177.16380	0.5
183.11714	1.7
185.13246	1.1
187.11160	0.6
187.14877	2.5
189.16397	0.9
197.13284	0.9
199.14841	1.5
200.10786	0.5
201.12764	1.3
201.16368	2.2
203.14365	0.6
203.18033	0.9
205.15973	0.7
211.14783	0.5
213.16429	1.4
214.11014	0.9
215.15462	1.8
216.10207	2.1
225.16328	0.5
229.13403	1.8
234.14157	0.6
237.16386	0.7
243.14998	6.0
245.16556	3.0
251.18015	0.7
253.13496	1.8
254.11935	0.7
271.14432	22.5
272.14667	0.6
287.05585	0.9
288.06070	0.7
289.06705	2.3
289.15475	100.0
290.15857	1.9
331.83444	0.5
405.31613	1.0
426.04428	0.4
433.31216	0.8
451.15933	0.8
451.27780	1.7
451.32385	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	451.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03144	0.5
65.03938	1.6
65.34779	0.5
67.03590	0.6
67.05168	1.2
67.05508	16.5
68.05022	2.2
69.03434	1.8
69.07070	5.8
70.06595	100.0
71.04993	1.1
71.32207	0.6
71.32549	1.0
72.08158	1.0
81.03426	2.1
81.04580	0.7
84.08161	2.5
85.02908	2.2
86.09702	0.8
91.05509	1.6
94.06579	3.8
95.04363	1.0
95.04973	19.1
95.06131	1.3
97.02909	1.2
99.04449	0.8
103.05471	1.5
106.02956	1.6
107.03231	0.8
109.02861	1.3
109.06542	0.6
111.05584	6.4
112.07610	29.5
113.06008	1.4
114.05540	2.1
116.04977	6.8
119.57587	0.6
119.73040	0.7
120.08112	0.9
121.06482	0.7
123.05535	4.3
124.03959	3.7
127.03942	1.8
130.08650	2.0
131.04901	4.6
131.11861	0.8
136.07584	1.3
137.05951	1.2
141.06599	6.8
145.05038	0.6
146.89766	0.6
154.08685	1.7
159.07677	4.4
163.03899	0.6
167.07185	0.8
186.08418	0.8
190.08685	0.8
205.10577	0.7
209.08156	0.8
238.10783	3.3
256.11926	3.5
274.12891	11.3
390.58334	0.7
392.70468	0.6
407.18130	28.0
408.18494	0.8
427.49261	0.7
451.17618	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	451.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26250	5.3
60.29954	5.7
67.47212	5.9
69.07064	7.3
69.36485	6.7
69.37083	45.7
75.86133	5.7
81.07056	12.8
83.22440	6.3
86.56580	5.2
87.53998	5.4
91.05493	6.9
93.07031	10.1
95.08634	17.0
98.97578	9.9
104.93206	6.3
105.07042	19.6
106.65298	5.8
107.08586	19.8
109.10140	9.1
116.98572	8.2
119.08590	31.0
121.10139	14.6
124.40023	5.2
131.08592	9.2
133.10132	13.2
143.08548	8.9
145.10103	21.0
147.11737	8.9
159.11676	11.8
161.13286	9.0
163.14876	7.1
169.10091	6.4
171.11699	8.7
173.13264	13.6
175.14810	16.5
185.13301	7.8
187.14854	15.4
189.16441	7.0
199.14893	13.3
201.16415	18.7
205.16028	7.6
206.98735	6.3
213.16374	9.7
223.38347	6.7
230.96820	6.8
237.02841	9.2
264.16852	5.7
264.19739	6.1
405.31473	20.1
451.10062	100.0
451.32150	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	450.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10471	2.2
53.03937	8.3
55.01868	7.6
55.05507	3.8
57.03440	4.4
57.07076	2.4
61.02927	3.8
67.05497	4.3
69.01710	2.0
69.03436	22.5
69.07053	8.2
69.44882	17.7
73.02909	5.5
74.53674	2.0
79.05481	6.4
81.03425	24.8
81.07043	12.4
85.02422	3.6
85.02914	60.7
85.06579	2.1
87.00845	31.5
90.47475	1.8
91.05478	7.5
93.07055	25.9
95.04968	4.6
95.08593	8.6
97.02905	37.9
99.04505	10.2
101.02385	2.2
105.01875	36.4
105.07015	6.2
107.08607	29.7
109.02904	20.9
109.06532	2.5
109.10182	3.0
111.60510	2.1
117.01888	2.0
117.07025	2.2
119.08556	4.5
121.10164	28.8
123.11745	11.2
127.03930	45.7
129.01868	3.3
133.10059	2.7
141.01811	2.0
145.04977	23.9
145.10115	2.6
149.13277	100.0
159.02925	12.9
159.11664	3.1
165.12755	9.6
167.14357	17.3
213.04018	2.4
231.05043	10.6
231.43277	2.2
329.11148	3.8
450.30615	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	450.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.05500	8.3
57.36650	6.1
61.96560	6.3
67.05518	13.0
67.66920	6.4
69.03418	14.6
69.07066	10.2
69.85514	36.5
71.04945	7.9
79.05486	23.0
81.03419	12.1
81.07083	40.3
85.02904	13.0
85.06541	7.9
86.09720	12.0
91.05466	24.2
93.07047	53.9
95.04993	9.3
95.08624	43.2
97.02904	8.3
97.06536	20.0
98.20799	12.6
99.04461	18.7
105.07043	39.6
107.08593	37.5
109.06515	23.0
109.10163	8.8
117.07048	6.7
119.08591	29.5
121.06522	58.1
121.10149	6.3
123.08044	12.7
123.11707	7.1
125.05963	9.2
127.03933	7.7
131.08586	13.7
133.10132	16.5
135.08037	21.5
139.07578	21.6
143.08527	13.6
145.10132	14.0
147.11690	44.7
157.10095	19.4
159.11641	8.0
161.09674	6.9
161.13252	14.6
161.89758	5.9
164.07173	6.8
165.12746	21.1
171.11694	20.8
175.11171	18.5
184.07375	7.0
189.12778	25.2
193.12285	16.3
199.11263	20.9
207.13757	10.9
209.15344	12.0
211.13240	10.1
217.12248	71.4
235.13310	100.0
253.14384	82.0
318.08911	6.9
402.05002	7.0
409.06418	6.3
450.30789	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	450.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
54.23210	1.3
54.77621	1.3
55.01862	4.5
62.06078	3.1
65.03945	4.0
67.05509	2.6
69.42978	13.1
70.06609	7.8
75.04462	1.4
78.03095	1.7
78.04681	1.9
79.05490	6.6
79.46004	1.5
83.36623	1.5
85.02904	3.4
89.00931	1.5
89.03923	2.7
91.05489	63.4
93.03388	6.6
93.07027	6.3
95.04991	7.1
98.21469	3.2
103.05473	14.7
105.03400	10.9
105.04510	1.6
105.07053	9.5
106.04202	16.6
107.04964	9.5
108.05727	1.8
109.06527	8.0
114.05537	2.0
115.05431	2.1
117.03390	1.8
118.04132	2.6
119.04955	75.5
121.06519	24.0
123.04458	3.5
123.08080	5.0
125.05973	5.4
129.06975	1.7
131.04930	14.1
131.05891	2.4
132.05687	5.1
133.06506	9.4
134.03624	4.8
135.04375	3.2
135.07994	1.6
136.05205	3.8
137.06000	8.0
145.06491	2.9
147.04407	17.8
147.08026	3.8
148.05176	4.8
149.05994	29.6
151.07559	40.6
153.09140	8.5
154.06204	1.6
159.04420	2.2
159.08031	6.2
160.05305	2.4
161.06004	34.2
162.06755	5.2
163.03934	3.8
163.07501	4.4
165.05460	5.9
167.07056	58.0
175.07571	11.5
177.05482	29.9
179.07060	42.3
180.07816	15.8
181.08609	15.8
182.09412	5.9
185.05734	1.6
187.07578	14.8
190.06303	4.4
191.07071	22.2
192.07823	14.1
205.06781	3.3
205.08618	41.0
209.08107	100.0
210.08936	8.7
217.08633	2.6
235.09660	14.1
309.11136	2.8
321.11401	1.7
326.11319	2.3
339.12225	7.0
341.13779	3.3
359.14996	3.4
371.15201	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	450.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01862	2.4
61.02938	0.7
61.29661	0.5
62.06084	1.3
65.03955	3.0
67.05486	1.2
69.03442	1.0
70.06584	1.2
70.14466	2.4
72.08157	0.6
75.04466	3.2
77.47984	0.6
78.04709	1.9
79.05474	1.8
81.03398	1.1
83.91897	0.5
85.02921	4.4
86.09698	1.0
86.51081	0.5
89.03927	0.9
89.06049	0.9
91.05482	12.1
92.05781	0.6
93.03409	9.5
93.07058	4.4
94.04179	0.7
95.04968	2.4
95.08590	0.7
97.02917	0.6
97.06530	2.1
98.20800	0.6
98.97581	0.8
103.05473	4.8
105.04523	0.7
105.07035	1.2
106.04179	24.1
107.04977	0.8
109.02884	0.7
109.06491	0.8
111.04440	0.8
117.03396	0.8
119.04961	5.0
121.02874	0.8
121.06511	25.3
123.04414	1.0
123.08099	1.3
125.05988	7.3
127.03922	0.6
128.07121	0.6
131.04932	1.2
133.02859	1.6
133.06470	0.7
134.03625	3.1
135.04373	1.9
136.07581	0.6
137.05983	7.7
138.06685	0.6
139.07521	2.2
140.97192	0.5
145.02844	1.5
145.04967	0.6
147.04428	7.7
148.05183	1.3
149.05988	40.2
151.07562	3.1
152.08275	0.6
153.01822	2.5
153.05374	1.3
153.09102	11.4
154.02177	1.0
161.05930	0.7
163.07545	1.8
164.07027	0.6
165.05487	1.0
165.09117	1.1
166.06253	1.4
167.06990	0.7
177.05481	20.7
177.08975	0.6
179.05597	0.5
179.07030	3.6
181.08600	19.3
181.10214	1.0
183.05231	0.5
191.07024	1.1
209.08101	100.0
210.08609	2.1
287.05518	17.9
288.05853	41.3
289.06137	1.3
330.06851	1.0
339.12354	2.2
339.53769	0.5
450.10205	0.6
459.38455	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	450.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40363	3.5
57.03441	18.7
60.04503	6.9
63.94136	3.4
64.28509	3.7
69.03090	5.5
69.03436	90.6
70.06594	6.5
70.14433	16.5
72.53548	3.5
81.03395	5.0
84.04526	3.5
84.08138	4.9
85.02908	54.9
86.09675	4.5
87.04469	58.7
95.04958	15.7
97.02895	80.5
106.02926	4.4
115.03943	100.0
121.02890	24.0
124.03914	8.0
127.03936	13.0
133.04976	94.5
139.03925	64.3
145.04979	10.6
147.04498	4.5
150.07608	14.0
163.03909	8.5
167.07039	4.1
268.08301	4.8
277.52402	3.8
430.67871	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	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48749	3.6
53.03941	9.8
55.01868	11.4
57.03449	7.3
61.02937	7.4
67.05500	6.7
68.99793	6.3
69.03441	37.7
71.04994	9.4
71.13786	8.8
73.02916	7.8
78.50723	3.9
79.05495	10.3
81.03432	27.2
81.07047	22.9
85.02909	64.6
87.00839	29.3
91.05489	13.9
93.07063	39.8
95.04964	5.1
95.08604	15.7
97.02905	51.1
99.04465	12.3
105.01884	31.2
105.07023	23.3
107.08610	51.2
109.02881	37.8
109.06517	7.2
119.04990	5.5
119.08565	8.0
121.06512	9.7
121.10159	100.0
123.11703	17.9
125.05977	7.5
127.03920	60.1
131.08575	7.6
133.10104	5.9
139.11205	4.9
145.04977	32.2
145.10089	7.7
147.04343	6.8
149.09656	47.8
152.07071	4.1
153.01810	13.4
154.02174	7.5
159.02939	12.2
159.11707	4.1
163.07602	5.3
163.41869	4.0
164.07188	5.7
167.10677	41.0
171.11633	4.6
187.14633	4.7
213.04050	7.0
215.82671	4.2
231.05051	13.4
243.10951	7.8
256.12021	4.7
257.12656	8.7
258.13232	26.0
271.06009	45.7
272.06342	97.0
273.06592	76.3
274.06815	82.9
285.12274	10.9
286.12744	29.2
287.05478	23.1
288.05887	50.0
314.12308	10.3
364.15628	10.1
397.14975	12.9
415.16055	11.2
450.10083	6.7
450.15860	13.1
450.30646	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	449.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42574	3.5
53.03949	8.4
55.01871	3.7
55.05511	19.1
65.03963	5.1
67.05500	31.1
69.03432	10.5
69.07076	22.7
69.92110	15.3
70.06616	4.3
73.13741	3.0
76.79766	3.8
79.05503	28.8
81.03408	7.6
81.07061	59.2
83.04987	55.3
83.08624	7.7
85.02899	9.7
85.06583	3.9
86.09708	7.5
91.05486	39.2
93.07055	46.2
94.90863	3.5
95.04988	20.6
95.08609	67.9
97.02878	7.0
97.06535	4.7
97.10193	5.7
98.20807	5.1
103.05492	5.3
105.07038	71.1
107.04954	4.9
107.08607	80.4
109.02900	7.8
109.06531	10.2
109.10160	26.8
111.08093	4.4
116.40942	3.7
117.07026	14.9
119.04984	3.9
119.08588	88.6
120.08106	4.3
120.08965	4.6
121.10161	32.6
123.08088	10.4
123.11713	13.3
124.07623	4.9
125.09651	8.1
127.03951	10.5
128.06226	5.1
129.07019	14.4
131.08577	47.4
133.10141	40.2
135.04431	4.7
135.08014	4.9
135.11697	20.8
136.07593	31.0
137.06012	3.9
137.09601	5.3
137.13235	3.6
141.06981	5.1
142.07814	12.8
143.08559	32.6
144.09337	7.7
145.10147	85.0
147.08017	4.2
147.11711	43.4
149.13251	11.1
151.07564	6.0
151.11258	4.5
152.07129	5.7
155.08571	19.3
156.09395	12.0
157.10146	50.2
158.10870	6.3
159.11710	52.2
161.09708	5.5
161.13271	20.0
163.03934	6.4
163.07594	6.1
163.11200	3.7
163.14841	10.0
164.07103	28.2
165.12817	4.3
168.09387	6.2
169.10132	26.3
170.10938	9.7
171.11697	37.4
173.09595	4.9
173.13290	35.4
175.11220	5.3
175.14839	20.8
177.16418	6.0
181.10159	10.5
182.10881	6.6
183.11703	25.8
184.07455	5.3
185.13274	35.3
187.07700	4.0
187.14830	40.4
189.16394	7.4
191.14334	5.8
193.10126	3.8
195.11748	12.4
197.13293	25.9
199.11272	4.1
199.14807	43.1
201.12756	4.6
201.16423	46.5
203.14268	21.8
205.15981	9.9
209.13358	10.2
211.14803	21.7
213.16440	12.8
215.14369	6.3
217.12314	5.1
217.15916	9.0
217.19598	3.8
223.14851	9.2
225.16396	9.7
227.17921	5.8
229.15909	3.6
231.13910	5.8
231.17351	3.7
235.14867	6.8
237.16409	11.8
239.18083	10.0
245.15480	10.4
251.17970	12.2
257.15396	15.0
257.19019	4.6
263.17923	8.6
265.19501	7.2
271.06033	81.9
271.16965	4.6
272.06354	16.9
273.06589	27.2
279.21216	6.2
287.05515	84.6
287.13806	6.0
297.18600	9.4
305.22577	4.4
309.18158	4.2
325.21875	4.0
345.25818	10.4
385.28815	9.9
391.26465	18.6
403.30020	55.6
405.31531	11.7
421.30722	8.4
431.29471	12.3
449.13809	4.8
449.19678	7.6
449.30518	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	449.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01873	3.6
55.05520	17.8
57.07079	5.1
57.45196	2.3
65.03931	4.4
67.05506	25.0
69.07064	16.3
70.86253	5.0
70.86627	4.7
79.05496	29.9
81.03401	2.5
81.07063	57.0
83.04987	34.2
83.08618	8.9
89.79889	2.3
91.05477	43.1
93.07049	57.0
95.04971	10.5
95.08043	4.2
95.08612	49.3
97.06524	2.4
99.08076	4.0
103.05500	3.3
104.06160	2.7
105.07037	80.1
107.04951	3.0
107.08601	100.0
109.06491	9.1
109.10146	26.6
111.08086	8.8
115.05424	2.8
117.07027	19.5
119.08588	73.4
121.10154	30.3
123.08072	5.4
123.11732	12.8
125.09621	10.3
127.07502	2.7
128.06229	6.7
129.06992	16.7
131.08568	35.1
133.10129	33.9
135.08041	6.4
135.11684	16.6
137.09610	7.5
141.07054	5.2
141.99966	2.2
142.07761	6.8
143.08575	29.2
144.09247	3.7
145.10143	53.7
147.11703	42.7
149.05989	3.4
149.13266	10.3
151.11205	3.7
153.06976	2.4
154.07777	3.3
155.08533	13.8
156.09372	6.0
157.10124	34.8
158.10994	2.7
159.11703	39.6
161.09607	4.5
161.13228	14.5
163.11223	5.1
163.14771	4.0
165.06992	2.7
165.12808	6.6
167.08615	4.0
168.09335	3.8
169.10130	27.0
171.11693	28.5
173.06029	2.6
173.13252	31.6
175.14847	21.8
177.12746	3.1
177.16365	3.8
179.08592	3.6
181.10132	7.7
182.10918	4.1
183.11710	24.6
184.12550	2.6
185.13261	26.5
187.07518	3.6
187.14861	19.6
189.16408	7.2
191.14355	5.4
194.10905	4.1
195.11765	11.6
197.13234	23.9
199.11229	3.3
199.14850	29.8
201.16386	12.6
203.14339	4.3
207.11760	5.6
209.13263	10.6
211.14844	17.3
212.15295	3.0
213.16440	16.8
215.10706	3.0
215.14268	4.1
215.17892	2.6
217.15933	6.9
221.13309	7.2
223.14886	11.1
225.16386	8.9
227.17992	5.3
229.15881	8.1
231.13838	3.2
231.17535	4.0
235.14670	5.4
237.16312	12.6
239.17943	43.6
241.19568	8.1
243.13806	3.8
243.17433	3.6
245.15376	6.0
251.17979	12.0
253.19566	5.9
257.15341	13.0
259.17007	3.2
263.17828	6.1
265.19522	7.7
267.17480	2.8
267.21176	5.9
273.06512	6.1
275.17972	5.1
277.19409	3.5
279.21207	3.0
283.16959	10.3
285.18561	13.4
287.05362	3.2
289.19534	5.1
293.22745	3.8
297.18484	7.0
309.18521	3.3
325.22119	3.1
339.23212	5.8
345.25800	8.3
347.27493	3.9
367.26730	3.5
375.30524	4.2
385.29065	7.1
387.30423	4.5
391.26376	34.5
403.29996	39.0
405.31332	8.2
419.29437	3.7
421.31113	8.1
431.29407	16.2
449.30508	97.3
450.30850	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	449.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.05510	11.3
57.07067	4.9
65.03963	2.7
67.05508	15.9
68.01224	1.2
69.03423	4.4
69.07066	13.0
69.57658	8.0
71.04990	1.3
75.31207	1.2
79.05500	15.3
81.07053	29.5
83.04982	12.4
83.08606	3.7
91.04964	2.0
91.05481	24.6
93.07047	34.0
93.08652	1.1
95.04961	4.6
95.08607	35.7
97.06532	6.5
97.10122	1.3
103.05425	1.2
105.07031	45.9
107.08601	51.2
109.06505	4.5
109.10152	16.6
111.08096	5.8
115.05429	3.0
117.07050	9.8
119.08585	62.2
121.06542	3.3
121.10144	26.8
123.08105	5.7
123.11704	4.8
124.02647	1.3
125.09613	3.8
128.06238	4.1
129.07007	8.3
130.07741	2.1
131.08568	32.4
133.06520	2.2
133.10130	32.6
135.08032	7.1
135.11713	9.6
137.09621	4.4
137.13298	1.6
141.07024	3.7
142.07779	4.9
143.08565	19.6
144.09317	2.6
145.10126	42.9
147.08031	3.4
147.11693	23.9
149.09621	5.0
149.13249	7.0
151.11208	2.9
153.09119	1.5
154.07858	1.2
155.08554	8.6
156.09325	6.3
157.10138	27.9
158.10881	3.6
159.08026	2.2
159.11690	34.0
161.09593	4.3
161.13245	19.3
163.07581	2.6
163.11192	4.9
163.14847	7.1
165.06906	1.3
165.12740	2.1
167.08524	3.4
168.09317	1.9
169.10124	14.2
170.10921	4.0
171.11696	23.4
172.12451	1.2
173.09660	2.7
173.13269	26.6
175.11186	5.4
175.14838	18.9
177.12753	6.4
177.16399	2.3
179.08519	2.5
179.14336	2.8
180.09329	1.9
181.10147	6.7
182.10928	4.7
183.11690	17.3
184.12492	2.7
185.13271	23.9
186.13695	1.4
187.11211	2.7
187.14813	19.4
189.09148	1.8
189.12726	4.6
189.16396	5.2
191.14323	5.0
193.10092	3.0
195.11728	8.5
196.12469	2.1
197.13297	16.1
199.11192	2.8
199.14809	23.7
201.12752	4.3
201.16383	16.5
203.14307	8.3
203.18007	1.8
205.12262	1.2
205.15942	4.2
206.10838	1.4
207.11717	5.1
209.13240	10.1
210.13991	1.6
211.14783	13.7
213.12866	3.4
213.16373	15.4
215.14293	4.2
215.17982	4.0
217.12282	1.5
217.15901	4.2
219.11792	2.5
219.13792	2.2
221.13289	5.2
221.15286	1.5
223.14754	8.9
225.12910	1.5
225.16432	11.0
227.14320	2.6
227.17993	5.6
229.15930	6.7
229.19481	1.9
231.13852	1.6
231.17371	2.0
233.13269	3.2
234.14107	2.0
235.14833	5.3
236.15421	1.3
237.16312	10.2
239.17921	13.9
241.19536	4.2
243.17540	2.6
245.15366	5.7
247.14845	3.1
247.17087	2.3
249.16394	3.9
251.14264	1.7
251.17944	7.6
253.19560	7.5
255.17369	2.1
257.15411	5.4
257.19025	1.9
259.16940	3.2
261.16379	2.1
263.17953	4.8
265.19495	4.4
267.14005	1.4
267.17474	1.9
267.21042	3.1
269.15433	2.1
271.16943	5.0
273.16217	1.6
273.18732	1.7
275.17905	1.8
277.19589	4.7
279.17526	1.7
279.21127	6.2
281.19162	2.6
283.16968	4.3
285.18622	2.8
289.19489	2.2
291.21075	3.0
293.19217	1.5
293.22577	2.2
295.20813	1.6
297.18567	2.9
297.21945	1.7
299.19916	3.4
303.21011	3.1
304.21747	1.9
305.22641	3.5
307.23840	1.4
311.20135	1.7
313.21683	2.0
315.20972	2.1
317.22693	2.4
319.24219	3.2
323.20010	2.0
325.21722	4.0
329.22543	1.6
337.02292	8.3
339.23254	4.8
345.25888	3.4
347.23785	1.8
353.24506	1.7
363.23303	1.7
365.24673	3.0
367.22937	1.7
373.29080	2.1
375.30502	2.2
385.28946	10.1
387.30225	1.4
391.26254	4.5
393.08640	13.7
403.30005	60.7
404.30417	2.1
405.31580	5.2
407.26031	1.9
419.29599	7.1
421.31046	12.0
431.29453	25.4
449.30505	100.0
450.30820	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	449.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05511	9.2
57.07067	2.2
67.05504	10.7
69.03426	2.1
69.07076	13.7
69.49281	12.1
71.77940	1.7
79.05499	12.3
81.03435	2.1
81.07059	23.4
83.04984	4.1
83.08624	7.1
89.81174	1.7
91.05495	17.7
93.07051	23.5
95.04956	3.8
95.08615	29.3
97.06544	2.1
97.10193	2.6
105.07041	32.3
107.04971	1.9
107.08603	40.2
109.06514	2.5
109.10162	13.4
115.05434	2.3
117.07017	10.2
119.08582	58.6
120.08984	1.7
121.06515	2.9
121.10139	23.7
123.08099	3.9
123.11722	5.5
125.09628	1.8
128.06223	4.8
129.07014	7.2
130.07761	2.3
130.36227	1.7
131.08572	25.4
133.10138	37.8
135.08063	7.6
135.11725	10.1
137.09647	3.2
141.07007	3.6
142.07825	9.7
143.08574	28.9
144.09331	3.9
145.10133	50.1
147.08102	2.1
147.11674	18.1
149.05978	2.6
149.09669	2.7
149.13275	5.3
151.07524	2.7
155.08536	9.8
156.09375	7.1
157.10147	32.4
158.10899	6.1
159.08063	2.7
159.11700	37.9
161.09657	5.5
161.13275	12.0
163.11214	19.6
163.14809	4.7
165.09309	1.5
167.08624	2.2
168.09395	3.7
169.10110	10.5
170.10918	7.2
171.11697	24.5
172.12476	2.9
173.09624	2.5
173.13277	33.0
174.10550	1.7
175.11208	7.2
175.14859	17.2
177.12773	6.8
177.16309	10.9
179.08534	2.6
181.10178	4.5
182.10904	3.9
183.11714	15.1
184.12531	2.0
185.09714	1.7
185.13254	24.6
187.11212	4.0
187.14813	26.7
189.12770	6.4
189.16377	20.6
190.13556	2.0
191.14334	4.8
193.10202	2.0
194.10854	2.2
195.11725	5.0
197.13280	17.8
199.11200	2.4
199.14815	41.2
199.16582	2.9
201.12799	7.8
201.16409	19.9
203.14359	15.9
203.18079	2.5
205.12381	1.6
205.15898	36.4
207.11737	3.2
209.13289	4.6
211.11162	1.9
211.14905	6.1
213.12820	4.1
213.16399	10.0
215.14366	6.8
215.18007	4.5
217.12383	2.5
217.15907	9.8
219.13908	3.2
220.12279	1.9
223.14915	3.1
225.12837	2.2
225.16383	3.0
227.14333	3.3
227.17973	4.1
228.97830	1.8
229.15953	4.9
229.19643	2.7
231.13959	3.4
231.17587	4.0
233.15244	1.9
235.14801	2.6
237.16423	3.7
239.14552	1.8
239.18074	4.3
241.16144	2.2
243.13808	6.6
243.17520	2.9
245.15480	3.9
251.18036	4.5
253.19585	1.9
255.17508	1.8
273.06696	1.7
283.20633	4.0
297.18585	3.8
297.21936	2.6
311.20282	2.2
333.22012	2.5
385.28802	4.8
387.30914	2.0
403.29999	30.8
405.31720	6.3
419.29321	2.7
421.31329	4.6
431.29410	16.5
449.30557	100.0
450.30936	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	449.1421
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
54.11641	1.1
60.04522	1.5
69.54706	4.4
69.55115	5.1
77.51580	1.3
84.50977	1.1
94.93026	1.8
109.68428	1.3
112.89610	28.3
114.89338	12.0
116.89143	2.0
119.30882	1.3
139.59630	1.7
162.02815	1.7
170.03287	1.5
257.52283	1.6
269.02747	1.6
432.13992	1.3
449.14227	100.0
450.14392	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	449.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01884	0.5
57.03440	0.6
67.05511	2.0
69.03433	1.5
69.07076	0.9
70.06602	1.0
71.04990	0.8
77.03978	0.5
77.07811	0.4
79.05511	1.6
81.03429	1.9
81.07056	1.6
85.02911	2.0
86.09674	0.5
91.05489	3.4
93.07076	2.6
94.06576	0.6
95.04981	1.6
96.08126	0.7
97.02919	1.2
97.06522	0.7
98.21484	1.5
105.07042	1.2
106.06533	0.5
107.04932	0.9
108.08138	2.2
109.02886	3.0
119.08600	0.5
120.08134	0.5
122.06067	4.1
124.07603	11.2
126.05502	1.3
127.03945	0.8
130.08630	0.7
132.95824	0.7
133.10162	0.8
135.04391	0.6
136.07590	100.0
136.38597	0.4
137.07933	1.1
138.09134	0.5
140.07057	1.4
147.04419	0.6
147.11649	0.5
148.07567	0.9
149.06046	0.5
152.07080	24.9
153.01857	1.3
158.97466	0.9
160.07600	0.5
164.07085	97.9
165.07449	1.4
166.08638	1.2
170.08107	1.4
174.96869	0.6
181.04977	6.2
182.08142	3.1
202.08704	0.6
209.08145	0.7
212.09236	1.0
224.09207	1.7
225.06158	0.5
234.99054	2.0
244.09756	1.1
261.07785	0.8
272.09140	1.3
287.05515	25.1
287.13904	16.5
290.10242	0.7
296.11032	0.6
297.12231	0.8
305.14981	1.9
308.11298	1.7
311.13885	2.1
315.13589	0.9
347.16086	2.6
363.10800	1.3
365.15289	0.6
395.15875	1.6
413.16925	1.3
431.17902	1.7
449.14005	0.8
449.19693	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	449.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06573	3.7
71.04973	3.4
71.59020	3.4
85.02892	4.2
86.09697	5.0
97.02891	3.1
130.05003	2.7
167.07002	5.1
237.02875	3.1
287.05273	3.4
314.90469	3.6
317.08905	3.7
339.68567	2.3
352.62595	2.5
353.33578	2.3
390.80090	2.7
426.28021	3.0
429.14786	2.5
449.14175	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	449.1423
Annotation	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
52.50563	1.3
53.84792	1.1
56.96572	2.2
59.52645	1.3
62.08146	1.1
63.54664	1.3
69.03424	1.6
69.68797	7.2
70.06584	2.8
80.07651	1.3
86.09712	2.2
97.02861	1.6
98.21535	1.3
98.97588	1.7
99.07758	1.2
109.02872	1.4
110.97569	1.4
112.99104	1.4
116.98596	1.5
121.02895	1.5
127.03914	1.7
158.99677	2.4
163.20201	1.5
167.07021	5.1
167.08257	1.2
175.75562	1.3
209.86214	1.5
214.87904	1.3
219.01767	1.5
237.02756	2.2
243.34937	1.3
260.12225	2.4
287.05630	1.5
303.12997	2.0
317.09241	1.5
343.83115	1.4
435.22028	1.5
449.14209	100.0
449.19290	3.7
450.14868	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	449.1082
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
57.03408	0.2
57.54782	0.1
67.01838	0.6
67.05478	0.2
68.99776	0.4
69.03398	0.4
69.07027	0.1
69.24765	0.4
69.25180	0.9
70.53572	0.1
71.04959	0.2
71.67728	0.1
75.10536	0.2
76.24870	0.1
81.03416	0.2
81.07044	0.3
85.02861	0.5
85.53651	0.1
88.39119	0.1
89.03912	0.1
91.05475	0.2
93.07040	0.2
95.08581	0.3
97.02865	0.4
103.05455	0.2
105.07003	0.3
107.04957	0.1
107.08579	0.2
109.02876	0.3
114.48837	0.1
115.00186	0.1
117.03365	0.2
119.08539	0.3
121.10100	0.2
127.03874	0.2
129.01767	0.2
135.04430	2.1
136.07549	0.8
137.02365	0.6
145.10106	0.3
152.07053	0.2
153.01845	5.6
161.02400	0.7
163.14784	0.1
164.07079	0.7
169.29552	0.1
171.02841	0.4
173.05872	0.1
179.03371	0.3
181.04884	0.1
199.14835	0.2
203.03357	0.2
215.11914	0.2
241.04933	0.7
253.12202	0.1
269.04391	0.6
271.06006	1.4
272.06390	0.5
273.06516	0.7
286.04852	0.1
287.05505	100.0
288.05862	2.0
329.06396	0.2
449.10825	19.4
450.11176	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	449.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01848	0.2
57.03423	0.2
57.49469	0.2
60.42546	0.1
61.02922	0.3
62.12614	0.2
67.01839	0.7
67.05483	0.2
68.99785	0.5
69.03434	0.9
70.06583	0.5
70.57712	0.4
79.05502	0.2
81.03408	0.4
85.02910	2.5
89.03922	0.3
91.05472	0.3
93.03365	0.2
95.04959	0.3
97.02879	0.9
97.08979	0.2
103.03871	0.2
106.04136	0.2
107.04980	0.3
109.02878	0.4
121.02870	0.3
121.06450	0.3
124.07556	0.2
127.03922	0.5
135.04419	2.1
136.07581	1.3
137.02396	0.9
139.03868	0.2
145.02844	0.3
145.04944	0.3
149.05972	0.4
152.07068	0.2
153.01836	5.7
161.02332	0.5
164.07066	1.4
171.02884	0.3
179.03369	0.4
181.08575	0.2
193.29910	0.2
203.03482	0.3
209.08055	0.9
218.66843	0.2
241.04929	0.5
259.06100	0.2
269.04443	0.5
269.42065	0.2
287.05505	100.0
288.05884	2.2
299.05676	1.0
300.06326	0.4
311.05350	0.3
322.49161	0.2
329.06506	1.5
339.08536	0.3
353.06268	0.4
376.80563	0.2
413.08914	0.3
431.09808	0.7
449.10641	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	449.1082
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
61.02624	0.1
61.02921	0.3
67.01859	0.5
67.05509	0.1
68.99785	0.6
69.03419	0.3
70.91641	0.2
76.93478	0.1
79.05489	0.2
81.03428	0.3
81.07082	0.2
82.11956	0.1
85.02905	0.4
86.09697	0.2
89.03933	0.2
89.24223	0.1
91.04031	0.1
91.05475	0.1
93.07068	0.2
95.04975	0.1
95.08609	0.2
97.02890	0.3
99.99542	0.1
103.05442	0.1
105.07024	0.3
107.04978	0.3
109.02873	0.1
117.03394	0.3
119.08579	0.2
121.02829	0.1
124.07682	0.1
129.01855	0.1
135.04427	2.1
136.07564	0.5
137.02350	0.6
145.10106	0.2
147.04414	0.2
151.03920	0.1
153.01840	5.1
160.55022	0.1
161.02339	0.7
164.07063	0.5
171.02910	0.5
179.03413	0.3
185.05939	0.2
213.05521	0.2
241.04930	0.6
245.04506	0.1
259.05893	0.1
263.05579	0.2
269.04361	0.4
269.12924	0.2
269.31992	0.1
271.05878	0.2
287.05515	100.0
288.05826	2.2
387.70233	0.1
449.10797	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	448.391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
55.14600	1.4
55.44668	1.7
57.07076	3.2
60.46240	1.6
61.95818	1.5
64.86756	1.6
67.05482	3.2
69.07082	3.3
70.64394	5.5
71.08615	2.3
72.97581	1.6
81.07088	1.9
83.08620	2.6
93.07058	1.9
95.08660	2.4
97.10183	2.0
109.10166	4.1
109.43004	1.7
119.08611	2.4
121.06525	12.0
122.07236	2.0
135.08029	2.5
136.08855	18.3
137.09642	20.9
149.02399	2.5
149.09720	1.6
150.02733	2.0
151.07510	2.5
152.08357	1.8
164.08344	36.2
165.09128	100.0
169.83313	1.8
189.67700	1.7
204.94193	1.7
205.12285	9.3
234.33408	1.7
319.17590	1.7
430.38126	75.0
448.38605	4.8
467.64746	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	449.108
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
67.01865	0.7
68.70603	0.3
68.99774	0.8
69.03427	1.0
70.44021	0.4
71.03572	0.7
71.03921	0.4
81.03445	0.6
85.02906	1.7
91.03947	0.4
97.02927	0.9
102.84258	0.3
117.03400	0.4
120.16592	0.4
135.04434	2.5
136.07553	0.4
137.02328	0.7
141.85724	0.3
153.01830	5.4
161.02396	0.4
164.07072	0.5
164.99146	0.4
171.02924	0.5
241.04977	0.7
287.05511	100.0
288.05823	1.3
394.70428	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	447.0924
Annotation	Baicalin
Peak:m/z	Relative Intensity
67.01865	0.4
68.99789	0.4
70.11459	0.4
91.05473	0.3
99.04099	0.1
119.04955	2.2
121.02872	0.6
129.01871	0.1
145.02840	0.5
153.01842	4.9
163.03909	0.3
171.02921	0.5
225.05490	0.2
229.04962	0.3
243.06566	0.4
253.05064	0.1
254.05795	0.1
271.06021	100.0
272.06357	1.2
447.09348	2.1
469.17801	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	447.127
Annotation	Apigenin 7-(6''-methylgalacturonide)
Peak:m/z	Relative Intensity
69.03460	1.8
70.06588	4.1
70.40470	3.6
70.40825	2.1
72.08169	7.7
79.47189	1.4
81.07082	1.7
84.08131	1.7
85.02898	3.6
86.09303	1.2
86.09725	10.0
89.88909	1.3
91.05803	4.2
93.07101	1.6
97.02866	1.5
97.06509	1.5
103.05435	1.7
107.04984	2.5
112.70689	1.5
121.23964	1.3
123.84321	1.3
127.03844	1.3
131.04926	3.8
132.05292	2.2
138.12733	1.4
138.14140	1.3
149.02357	3.6
149.04405	1.6
163.07524	1.7
201.12408	2.2
241.07491	2.7
259.08658	1.9
271.06030	35.4
282.77640	1.3
361.02603	3.0
393.63422	1.7
403.13623	14.4
447.12686	100.0
448.12897	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	448.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.3
55.03149	1.3
55.05497	3.8
67.05501	3.3
69.03427	5.3
69.07066	6.6
70.06582	2.2
71.04991	3.5
71.59200	2.0
73.06558	1.1
77.03954	1.0
79.05494	6.7
81.03418	3.4
81.07066	10.7
82.13911	1.2
83.04990	14.4
84.08107	1.2
85.02888	5.5
85.06554	1.5
85.27663	1.2
87.00837	1.6
91.05470	5.8
93.07066	6.9
95.04980	6.5
95.08595	3.2
97.02887	3.5
97.06537	14.9
99.04450	4.4
99.73362	1.4
100.07596	1.3
100.55177	1.3
105.07034	17.0
107.04933	2.2
107.08588	6.2
109.02884	2.5
109.06544	7.8
109.10110	1.8
117.07023	4.2
119.04919	2.9
119.08593	6.6
121.02938	1.6
121.06548	8.1
121.10114	3.7
123.08113	2.3
123.11706	1.2
125.05998	18.5
127.03905	5.5
128.06247	1.6
129.06985	3.3
130.07764	1.7
131.04938	2.0
131.08582	7.5
132.07991	1.3
133.06535	2.6
133.10094	2.3
135.04442	1.4
135.08044	1.5
135.11671	2.7
136.07631	2.6
137.05954	3.4
138.05463	3.6
139.07550	1.8
143.07051	15.7
143.08354	2.0
145.10120	26.1
147.08037	1.8
147.11710	1.7
151.07513	2.2
153.01785	5.2
154.02170	2.6
156.06512	3.7
157.10107	2.3
157.40887	1.2
158.07263	2.4
159.08052	2.2
159.11736	10.9
161.09669	1.6
163.03931	1.9
163.11180	7.1
164.07091	1.5
169.10155	2.4
171.11722	2.0
172.08838	1.5
173.09639	13.8
177.12721	3.1
187.11180	15.5
187.14769	1.6
191.10655	8.0
197.09775	1.3
199.14778	1.9
200.06985	1.8
201.07385	1.6
205.12273	16.1
209.11693	3.9
213.11014	2.9
215.10684	18.7
223.13255	1.5
233.11736	16.7
236.08249	1.3
241.10542	2.0
251.12781	12.2
269.09897	2.0
269.13779	4.2
271.06036	48.3
272.06354	100.0
273.06500	2.8
287.05499	9.9
312.10480	3.7
329.12061	3.8
372.12704	10.8
375.77237	1.5
377.15985	3.4
395.17041	3.5
396.09061	1.7
413.17941	5.7
415.11493	1.8
416.11703	33.3
448.09619	1.5
448.29150	2.1
449.14624	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	446.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27499	0.4
53.03956	1.6
55.01880	0.9
55.05517	0.4
57.03441	0.7
59.97443	0.3
60.04537	0.7
61.02937	1.0
65.03965	1.0
66.30438	0.3
68.99805	0.4
69.03440	3.0
70.06578	0.6
71.05003	0.6
71.58867	0.6
73.02924	0.9
73.04774	0.4
77.67336	0.3
79.05499	0.6
81.03420	4.7
81.07059	0.6
85.02914	8.6
87.00835	4.6
91.03988	0.7
93.07073	0.6
95.05006	0.6
96.28082	0.3
96.70140	0.4
97.02899	4.5
97.30569	0.4
99.04476	2.3
105.01871	2.1
107.04946	0.4
108.04500	1.6
109.02880	5.0
116.10712	0.6
117.01860	0.7
121.02881	2.6
121.03937	0.4
124.03983	0.6
126.05539	1.0
127.03926	6.3
129.01801	0.9
133.01982	0.4
133.02837	2.5
135.04381	1.9
142.08690	0.4
145.04950	2.8
149.02353	100.0
150.02704	1.3
159.02922	2.8
163.03917	66.2
164.04292	0.7
167.03508	0.8
179.03407	0.8
181.04973	38.1
182.05348	0.6
230.06593	0.5
231.04893	0.9
248.07642	1.2
271.05984	0.9
304.12234	0.7
446.10449	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	446.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52095	0.5
53.03938	0.9
66.92428	0.6
67.05502	0.5
69.03413	1.1
69.71067	2.6
70.06589	1.3
72.08130	0.7
73.04731	0.6
73.89978	0.5
81.03414	0.8
85.02903	1.4
86.09714	3.7
87.00817	1.1
91.05824	1.0
93.07034	0.5
95.04959	0.7
95.09638	0.5
97.02903	0.6
98.20789	0.7
99.04437	0.6
103.05470	39.2
115.03995	0.5
118.45060	0.4
127.03909	1.2
131.04930	100.0
132.05260	1.0
141.41946	0.5
145.02806	0.7
147.04398	0.7
163.07550	42.0
196.47498	0.5
203.78596	0.6
271.05991	3.4
402.18683	0.5
446.20206	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	446.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
55.01867	9.4
57.03440	9.1
58.65170	1.7
59.23248	1.9
61.02914	6.2
67.05489	1.8
68.99796	2.2
69.03432	33.9
69.07053	2.3
69.49164	14.4
70.06588	9.5
71.01338	1.7
71.04990	6.3
73.02921	8.5
79.05478	2.7
81.02991	1.3
81.03416	40.5
85.02907	100.0
87.00832	38.3
91.03954	1.9
91.05485	2.9
93.07064	4.6
95.04979	2.4
97.02894	35.7
99.04467	22.8
100.07603	1.8
103.05485	9.8
105.01879	33.9
105.07023	3.0
105.26204	1.7
105.95171	1.7
107.04949	4.7
108.04451	8.8
109.02888	39.0
111.06447	1.9
117.01855	5.3
119.04980	2.5
121.02867	9.3
121.06499	20.7
122.06050	3.5
126.05502	4.0
127.03923	77.9
129.01848	4.7
130.06601	2.4
132.23418	1.8
136.07613	3.2
138.05550	2.6
140.04701	23.2
144.08092	2.2
145.02994	2.5
145.04961	40.2
147.02867	8.3
147.04433	2.4
148.07550	2.5
149.05991	14.6
153.01894	4.4
153.05464	12.2
159.02917	28.4
163.03926	9.9
164.04321	4.3
172.03963	5.1
173.04321	5.6
174.04550	3.7
181.08604	86.6
200.07060	3.6
204.06618	9.4
205.06886	8.6
205.08633	4.6
206.07158	7.1
207.07317	3.9
212.10728	6.0
213.03981	5.1
231.05038	16.4
240.10304	2.9
248.07599	4.3
268.09848	3.2
271.06033	99.6
272.06387	2.3
311.10233	10.6
328.11752	7.9
329.11304	2.0
334.38116	1.9
343.71759	1.7
371.12299	14.7
415.11371	50.3
443.16653	2.1
446.17139	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	445.3679
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.01876	1.5
55.05510	7.0
57.07084	2.2
67.05511	8.6
69.03413	2.0
69.07070	13.4
69.93459	1.1
70.63463	1.2
70.63819	3.8
79.05508	6.4
81.03420	2.1
81.07063	17.2
83.04969	1.4
83.08624	5.2
85.06535	1.5
91.05437	7.5
93.07059	25.1
95.08612	30.5
97.02882	1.8
97.06525	3.0
97.10184	6.6
105.07034	17.5
107.08605	41.6
109.06504	2.4
109.10165	19.0
111.08066	1.6
117.07018	3.3
119.08596	15.2
121.06541	1.9
121.10152	23.5
123.11720	4.8
125.09675	2.9
131.08562	6.6
133.10136	15.1
135.11702	20.8
137.09663	1.4
137.13335	1.8
139.11235	7.1
143.08588	3.0
145.10115	15.5
147.11697	10.2
149.09663	2.3
149.13277	5.3
151.11278	1.9
153.12799	5.7
157.10176	1.7
159.11700	18.1
161.13249	8.3
163.14841	25.6
171.11647	2.4
173.13286	7.2
174.13795	1.2
175.14812	4.6
177.16422	3.6
179.14368	1.8
180.94879	1.4
181.15884	23.3
183.11752	1.9
185.13333	2.8
187.14845	9.4
189.16414	4.7
191.14297	2.6
191.17938	4.4
197.13255	1.6
201.16406	31.4
201.18246	2.0
203.17986	25.3
211.14839	1.7
213.16342	6.0
214.69644	1.3
215.18008	4.6
219.17464	40.8
225.16414	2.0
227.18054	5.9
229.19507	3.9
229.77901	1.2
235.80112	1.7
237.16280	2.3
237.18488	17.4
237.20656	1.4
241.19598	1.6
247.20609	3.6
253.19597	3.1
267.21130	3.3
271.06213	1.6
281.22723	3.3
283.24219	3.7
285.57425	1.4
391.33682	10.3
407.02466	1.5
409.34662	100.0
410.34924	3.9
427.35730	16.5
445.30017	2.5
445.36795	8.8
446.36682	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	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87181	0.4
53.03934	0.5
55.05519	2.3
57.07064	0.7
65.03296	0.4
67.05509	4.7
69.03413	0.4
69.07065	3.2
71.20130	0.5
71.20469	0.4
73.04758	0.8
79.05488	1.5
81.03386	0.7
81.07059	5.8
83.04996	0.8
83.08614	1.5
85.02913	0.7
85.06548	0.6
87.00832	0.5
91.05434	1.1
91.05863	0.7
93.07035	1.5
95.04966	0.4
95.08610	5.1
97.02856	0.5
97.06497	0.7
97.10177	1.0
99.04448	0.4
99.08091	0.4
105.01836	0.4
105.07016	1.0
106.05926	0.4
107.04980	0.4
107.08591	1.0
108.82143	0.3
109.10168	6.0
111.11752	1.1
117.07033	0.5
119.08594	3.5
121.10161	0.6
122.07290	1.8
123.04493	0.5
123.08012	0.6
123.11690	1.0
127.03905	0.4
130.06543	0.5
133.10158	0.4
135.08049	0.8
136.07570	0.4
137.09622	10.8
137.13245	0.8
145.04889	0.5
145.10135	0.4
147.11784	0.4
148.07629	0.5
149.09602	1.6
151.07513	0.7
152.96725	0.4
163.03967	0.6
164.07149	0.6
165.09125	100.0
166.09479	2.5
166.11980	0.4
167.05534	1.1
167.07008	0.3
172.03908	0.7
173.04292	0.5
177.09163	0.8
179.10678	0.6
186.73373	0.4
191.10718	0.5
203.10660	0.8
204.06746	0.5
205.06830	0.8
205.12276	3.9
293.28418	0.9
336.80777	0.3
341.14880	0.5
353.11359	0.5
359.02942	0.7
381.10706	1.1
399.18622	0.4
402.50986	0.4
413.13107	0.6
427.35535	0.8
445.20215	0.7
445.36658	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	445.3678
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
55.05520	34.1
57.07084	41.3
63.19923	4.9
67.05504	41.2
67.80183	4.7
69.07071	74.6
70.65385	12.7
71.08639	37.9
78.15060	4.2
79.05493	29.6
81.07052	77.1
83.08624	30.1
85.02252	4.3
85.10190	23.2
89.93545	4.2
91.05441	28.2
93.07060	55.0
95.04972	8.8
95.08614	100.0
97.10181	25.0
105.07044	57.0
106.94917	3.9
107.08601	53.0
109.06506	9.6
109.10159	48.2
111.11688	18.2
117.07013	9.3
119.08595	49.1
121.10136	52.6
123.08036	6.6
123.11708	23.9
129.07043	10.6
131.08554	34.3
133.10126	45.0
135.11708	30.0
137.05983	7.8
137.09576	6.8
137.13245	9.9
139.07480	7.1
139.41219	4.0
143.08557	15.2
145.10120	46.2
147.11667	43.0
149.09682	9.3
149.13277	23.1
151.14798	5.8
155.07024	11.4
157.10127	16.9
159.11708	29.8
161.09695	5.5
161.13268	23.0
163.14806	11.0
165.09125	24.5
169.08620	5.3
169.10060	6.4
171.11613	12.6
173.13272	20.0
175.14818	7.8
177.09082	12.4
179.10710	8.1
185.13284	15.4
187.14816	11.0
189.12730	6.3
189.16376	11.5
191.10638	18.1
199.11099	4.4
199.14819	8.9
201.16463	5.5
203.17926	5.0
205.12257	13.7
209.11450	4.6
213.16318	4.5
217.19388	5.2
219.13850	8.0
227.18037	9.9
231.13815	7.7
233.15372	10.5
245.15326	7.7
247.24139	6.8
261.25815	8.3
263.16534	5.2
273.25977	4.9
287.20041	15.8
341.31961	14.5
343.33588	30.7
367.33496	6.5
385.34546	9.0
409.34622	6.8
427.35672	56.2
445.20114	15.6
445.30746	5.1
445.36862	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49925	2.1
55.05511	14.9
57.07078	11.1
58.02478	1.8
67.05505	8.3
69.07074	58.6
69.53587	14.9
71.08631	6.9
79.05499	3.9
81.07066	16.0
83.08620	21.3
85.10171	3.6
91.05466	3.2
93.07043	6.1
95.08603	12.8
97.10175	14.4
105.06984	3.2
107.08599	5.9
109.10158	9.6
111.11703	8.7
119.08578	6.2
121.10148	5.5
123.11749	5.2
125.13256	3.0
133.10075	2.0
135.08058	5.6
137.09613	8.5
139.07510	6.5
145.10202	3.7
149.09616	15.0
151.07518	3.3
153.09164	3.5
159.11697	2.6
163.11211	8.3
165.09128	100.0
175.11237	5.8
177.09067	9.5
181.08612	5.0
189.09106	4.6
191.10641	10.6
201.12909	2.0
203.10698	9.1
203.14325	2.7
205.12207	13.4
219.13737	4.2
231.13765	3.2
249.58705	2.1
345.27646	3.4
401.17685	3.3
417.20877	2.7
427.35687	14.9
429.17004	3.0
430.17743	6.7
445.20386	54.7
445.37238	10.8
446.20615	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34988	0.4
53.03942	0.8
55.05264	0.5
55.05518	10.4
57.06826	0.4
57.07084	4.4
59.29040	0.4
65.03932	0.4
67.05510	5.3
69.07075	15.7
69.26688	2.8
69.27099	1.2
71.08633	1.8
79.05487	1.7
81.06631	0.7
81.07071	7.8
83.04996	0.9
83.08633	9.6
83.37918	0.4
85.06550	0.5
85.10168	1.2
85.58991	0.4
91.05507	2.3
93.07058	2.7
94.88354	0.4
95.08624	6.7
97.10180	4.7
98.58941	0.4
105.07048	1.6
107.08611	3.9
109.06515	0.4
109.09467	0.4
109.10170	6.5
111.11723	2.6
117.07040	0.6
119.08598	3.7
121.06472	1.1
121.10143	2.5
122.07275	1.6
123.08080	0.4
123.11732	1.2
125.13316	0.5
129.06961	0.4
131.08585	1.1
133.10115	1.1
135.08070	2.7
135.11703	1.6
137.05984	0.5
137.09641	9.1
137.13254	1.5
139.07562	1.1
143.08617	0.4
145.10120	1.2
147.11711	0.7
149.08511	0.3
149.09628	8.6
149.13255	1.3
151.07611	1.0
151.14862	1.0
157.10144	0.7
159.08084	0.8
159.11710	1.4
160.08795	0.5
161.09616	1.3
162.06799	0.5
163.11212	8.8
165.09135	100.0
166.09450	0.9
173.09669	1.4
173.13298	0.9
174.10458	0.6
175.07472	0.8
175.11160	3.1
176.08295	1.3
177.09137	6.1
177.12775	1.0
177.16354	0.7
179.10677	1.4
184.77342	0.5
186.10423	0.7
187.11200	1.3
189.09148	1.8
189.12715	1.4
190.09895	0.8
191.10704	5.1
199.11232	2.7
201.12711	1.2
203.10687	5.0
203.14343	1.2
204.11501	0.8
205.12273	6.2
213.12776	0.6
215.14342	0.5
217.12398	1.2
219.13840	1.6
231.13731	0.9
233.15439	1.1
275.20090	0.5
289.21588	0.6
303.23361	0.5
371.29324	0.5
388.16562	0.5
401.18134	0.5
409.34787	0.9
415.15695	0.7
427.35501	3.6
429.17303	0.6
430.17737	1.4
441.97290	0.5
445.20157	8.7
445.31082	0.6
445.36880	5.2
446.20917	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	445.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01867	1.1
55.05508	0.6
57.03428	1.5
59.04981	0.5
61.02921	1.1
67.05492	1.1
68.99780	1.0
69.03430	9.3
69.92622	2.1
71.04989	1.3
73.02908	1.4
73.04753	0.6
79.05490	1.6
81.03423	5.7
81.07050	1.6
85.02908	11.5
86.09708	0.8
87.00829	4.4
91.03971	0.5
91.05402	2.9
93.07051	5.5
95.04975	0.9
95.08597	1.7
97.02900	4.0
98.21381	0.6
99.04482	2.4
103.03984	0.5
103.05478	1.6
104.48360	0.5
105.01880	2.5
105.03439	0.4
105.07033	6.6
107.04940	0.7
107.08599	26.5
109.02885	7.8
109.06532	1.3
109.10161	2.0
119.08598	5.5
121.02886	4.6
121.06546	1.0
121.10130	4.2
123.08053	0.7
123.11697	1.2
125.09659	0.5
127.03927	9.2
129.01839	0.7
131.04939	6.0
131.08592	1.3
133.10136	15.3
135.11703	0.9
137.05984	0.7
137.09608	1.0
139.07561	1.1
139.09906	0.4
143.08536	0.9
145.04958	1.9
149.05962	0.5
149.09654	3.2
151.07541	0.8
151.11212	5.9
159.02921	2.1
161.09633	5.1
163.03944	1.1
167.10683	11.4
176.70348	0.5
179.10690	16.3
180.11084	0.4
197.11745	100.0
197.94388	0.4
198.12083	2.2
213.03935	0.7
231.05042	2.9
231.17137	0.6
241.05396	0.7
255.11203	0.6
359.02829	1.1
403.20590	0.4
427.16095	1.3
445.08826	0.6
445.16895	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	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
53.11901	1.3
55.01874	2.4
55.05502	2.7
57.03436	2.3
57.60338	0.9
65.03931	1.8
67.05490	1.7
69.03429	11.7
69.07038	1.2
69.93642	2.7
69.94035	2.0
70.06599	8.7
71.04990	2.0
71.60722	0.9
72.08141	6.4
73.02899	1.7
73.04756	2.1
79.05505	3.0
79.40807	1.1
81.03419	9.2
81.07053	3.2
82.10547	1.0
83.04956	1.1
83.08666	1.2
84.08157	1.5
85.02912	17.8
86.09711	10.7
87.00835	7.2
91.05462	4.4
91.05888	2.3
93.07048	7.7
95.04964	4.0
95.08595	2.2
97.02905	7.8
97.06511	1.0
98.03277	0.9
99.04438	2.0
103.05426	2.0
105.01876	5.0
105.07031	7.8
107.04969	1.3
107.08604	21.9
109.02888	8.1
109.10151	2.3
112.08822	1.0
119.08578	3.7
121.02872	22.8
121.06480	2.0
121.10186	1.4
123.08119	1.2
127.03930	15.1
130.08644	1.2
131.04936	5.3
131.08571	1.2
133.10150	18.5
135.11693	16.2
137.06036	1.7
137.09630	1.8
139.03896	1.4
145.02745	1.0
145.04909	3.7
145.10043	1.2
149.02341	1.5
151.11168	1.7
159.02937	2.6
161.09650	10.8
163.03934	2.2
167.05530	2.5
177.05489	2.4
179.10678	28.1
186.18416	1.3
190.94791	1.3
194.94115	1.1
197.11745	100.0
198.12123	1.4
215.10278	2.3
231.04919	2.8
243.13744	1.3
292.14069	1.3
359.02820	3.7
445.18143	3.2
445.25800	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	444.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01874	0.2
55.05516	0.2
57.03433	0.5
59.04987	0.4
61.02915	0.3
61.75789	0.1
67.05492	0.2
69.03436	2.6
69.52299	1.1
70.06586	0.4
71.04986	0.5
73.04765	0.2
75.04478	0.2
81.03406	0.6
85.02920	1.4
85.06579	0.1
87.04465	0.5
91.03951	0.2
91.05791	0.5
92.02487	0.3
94.04055	0.7
95.04980	0.2
97.02919	1.0
98.97596	0.3
99.04450	0.8
101.06019	0.7
109.02892	0.2
110.97552	0.2
111.04487	0.2
112.05110	0.1
112.07623	0.4
114.00044	0.2
115.03934	0.3
116.98660	0.2
119.03579	1.5
121.89313	0.2
123.07954	0.1
127.03919	0.7
128.98648	0.2
131.06998	0.2
136.06198	100.0
137.04617	1.1
137.06540	0.5
145.04985	0.2
147.04433	0.3
147.06566	0.7
167.05624	0.2
170.99539	0.2
177.00691	0.2
180.08760	0.2
181.04884	0.2
189.00679	0.2
199.55064	0.1
219.01930	0.2
237.02866	0.2
255.03917	0.2
282.11951	2.5
298.11761	0.2
359.02936	0.3
400.16629	0.2
444.07355	0.2
444.17270	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	444.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58090	0.7
53.03954	6.6
55.01867	2.3
57.03444	10.5
59.05008	1.2
60.04535	1.0
61.02919	1.3
65.03995	0.7
67.05505	1.1
68.99789	3.3
69.03436	17.8
69.07088	1.0
69.43799	1.4
69.44205	4.0
71.04984	3.2
73.02908	2.3
78.85889	0.7
79.05537	0.9
80.05041	0.8
81.03429	26.0
81.07061	1.4
85.02911	26.4
87.00833	3.8
87.04469	1.2
95.08623	1.0
97.02905	34.7
99.04457	8.0
101.02391	45.3
102.22536	0.8
105.01903	0.8
105.07034	1.7
107.08565	1.5
108.04485	7.6
109.02885	33.3
117.07019	0.8
119.03429	100.0
119.08601	2.8
121.83313	0.7
126.05550	3.4
127.03933	35.9
131.03409	9.0
137.09674	0.7
144.06653	1.0
145.04982	21.3
145.10153	0.8
161.04448	2.0
165.09163	4.3
166.09506	1.2
172.03975	1.3
173.04475	21.4
197.04529	1.7
203.05630	1.3
204.06586	1.4
205.06946	1.3
215.05666	0.8
226.07317	0.9
227.05464	3.4
231.05078	1.1
232.32631	0.7
244.08235	2.8
245.06615	6.8
262.09274	1.7
273.11292	1.1
278.11166	0.9
362.05081	0.7
411.02097	0.8
438.73831	0.7
444.33417	0.8
465.54645	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	444.129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	3.5
56.74201	1.2
67.05501	1.0
69.03413	2.0
69.07069	2.2
70.06603	7.0
71.58293	1.1
72.08148	4.1
79.05499	2.8
81.03408	2.0
81.07021	1.2
84.04529	0.9
84.08125	0.9
85.02889	2.7
86.06090	2.3
86.09722	4.4
89.03918	11.7
90.47218	0.9
91.05445	4.6
93.03342	1.0
95.04972	1.0
97.02912	1.7
97.06515	1.0
103.05466	1.3
105.07014	3.4
107.04964	4.3
115.03938	1.2
115.05450	2.7
117.03400	15.3
117.07005	6.0
117.33235	1.0
119.04975	1.6
119.08596	3.4
120.08109	1.2
128.06242	10.4
128.07111	1.6
129.07018	49.0
131.04939	3.6
133.06493	3.1
135.04430	26.8
141.08247	1.1
143.04950	2.9
144.97270	0.9
145.02864	21.4
145.06487	10.3
147.04446	5.3
147.08015	2.9
147.11668	1.9
157.06502	50.0
161.06026	4.4
162.09219	1.0
163.03918	100.0
164.04343	2.0
171.04411	3.5
173.05998	10.7
175.07510	4.3
175.11087	1.0
177.05486	4.5
179.06953	0.9
185.05983	27.3
189.05499	5.0
190.08617	2.0
191.07092	7.2
193.05002	2.5
199.03896	2.0
201.05473	11.9
203.07053	11.2
207.06528	5.4
208.09705	2.6
214.11769	1.0
217.04984	6.5
218.08284	2.1
219.06673	2.2
220.09706	27.4
227.83493	1.1
229.05017	1.9
235.05991	5.5
236.09198	7.1
238.10721	1.1
247.05956	1.4
250.05875	1.3
264.05951	1.4
264.08694	28.4
265.07123	1.1
282.09744	62.3
283.10022	1.7
285.16895	1.6
301.07422	1.5
303.18073	2.7
392.48907	1.5
402.33414	1.0
409.15201	1.1
444.12894	58.4
445.12332	1.3
467.55017	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	444.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
56.05039	1.3
57.03419	1.2
57.07065	2.1
69.03429	5.4
69.07053	1.1
70.06593	8.2
71.04997	2.0
71.57896	2.0
72.08152	7.0
74.06070	1.7
81.03411	4.0
84.04502	2.3
84.08137	3.1
85.02887	4.5
85.06517	1.2
86.06073	100.0
86.09711	6.0
87.04469	1.2
91.05838	2.4
97.02888	4.1
102.10570	1.2
107.04935	1.2
109.02886	8.5
115.07580	1.1
115.08517	1.1
121.02861	1.7
127.03864	2.1
128.07082	9.2
135.04427	1.9
136.07581	3.7
141.67438	1.2
145.04979	2.7
146.08162	4.0
147.04419	4.3
163.03889	6.6
167.05667	1.5
189.00636	1.1
190.05025	1.3
218.09883	1.2
247.11710	2.4
282.09906	3.2
292.99564	1.1
359.02774	2.2
374.82941	1.3
392.07242	1.0
398.12247	1.3
444.17584	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	443.3888
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
53.03945	0.9
55.05511	5.6
57.07077	5.7
67.05511	9.7
69.07079	10.1
69.81894	2.5
69.82314	2.8
70.89895	0.7
71.04998	1.2
79.05495	6.6
81.07065	28.9
81.07520	1.8
83.05021	1.4
83.08640	3.5
85.06571	2.5
91.05481	4.7
93.07050	15.3
95.04981	1.4
95.08621	23.7
97.06531	2.1
97.10195	2.3
99.08099	1.3
105.07030	9.8
107.08600	25.0
109.06509	2.3
109.10172	22.3
111.08125	1.5
111.11736	1.6
117.07051	1.4
119.08589	12.1
121.10163	16.3
123.08089	2.0
123.11722	28.3
125.09612	1.2
127.07557	1.0
131.08606	2.7
133.10143	9.6
135.08128	1.2
135.11714	15.0
137.09673	2.0
137.13254	5.4
139.11133	1.0
139.54668	1.0
145.10135	4.5
147.11728	7.5
149.09727	1.3
149.13269	5.1
151.11215	1.4
153.09175	3.7
153.12737	1.5
157.10191	1.0
159.11774	2.7
161.13287	7.0
163.11252	1.6
163.14792	5.9
165.09155	2.4
171.11673	1.1
173.13368	1.9
175.14880	4.6
177.12756	1.0
177.16451	2.5
187.14932	1.7
189.16505	4.1
191.17944	4.9
195.13882	2.7
199.14799	1.2
201.16522	2.4
203.17949	5.4
205.15971	1.9
207.17503	2.2
215.18024	1.4
217.16002	3.0
217.19519	1.8
221.19151	1.0
229.19562	1.6
235.17032	0.9
271.23993	1.0
273.25970	1.0
328.34674	1.1
337.67056	0.9
370.14960	0.9
395.36993	0.9
407.33148	3.3
425.34296	4.0
425.38901	2.0
443.34302	9.5
443.39136	100.0
444.39645	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	443.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	18.8
57.07077	8.4
67.05507	37.8
69.07069	33.9
69.47273	3.6
70.76493	3.4
71.04977	3.8
71.60310	3.6
79.05502	17.3
81.07063	74.0
83.05019	5.4
83.08621	13.4
85.06535	5.3
85.10220	3.1
91.05505	16.0
93.07055	33.9
95.08614	98.6
97.10185	12.5
99.08092	7.0
105.07059	21.9
107.08607	68.3
109.06544	4.4
109.10171	91.3
111.08116	3.3
111.11715	6.5
119.08603	34.8
121.10153	55.4
123.08088	3.9
123.11726	29.4
125.09616	5.9
131.08566	8.1
133.10146	29.6
135.08018	4.3
135.11705	40.3
137.09651	13.7
137.13268	10.6
145.10150	10.3
147.11661	24.3
149.09668	12.1
149.13277	26.7
155.24002	3.3
157.10085	4.5
159.11702	8.1
161.13287	22.3
163.11194	7.4
163.14841	19.5
165.09142	100.0
173.13277	7.3
175.11209	3.3
175.14882	11.4
177.09108	6.4
177.16455	10.5
179.14313	16.4
181.90675	3.3
187.11337	5.4
187.14909	4.4
189.16411	21.8
191.10536	4.0
191.17950	34.9
201.16376	5.7
203.10652	4.4
203.14305	3.8
203.18001	23.0
205.12146	8.3
205.19496	3.9
207.17494	7.9
215.18027	7.5
217.19548	21.7
221.19066	5.7
235.20647	7.1
259.23969	3.8
297.25583	3.6
345.21936	3.1
417.32648	3.8
425.38052	34.1
436.66141	3.4
443.34641	13.8
443.39389	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	443.3886
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05519	14.6
57.03436	2.4
57.07061	4.5
65.54263	2.0
66.93675	2.2
67.05507	24.2
69.07072	18.6
70.79361	4.4
71.08615	2.1
79.05481	13.1
81.07067	45.7
83.08624	10.5
85.06544	3.6
86.35221	2.1
87.04457	3.3
91.05468	10.2
93.06488	2.2
93.07059	35.3
95.08611	100.0
96.08994	2.3
97.10177	9.9
105.07039	31.2
107.08595	53.0
109.06506	4.6
109.10161	61.6
111.08074	4.2
111.11713	5.2
117.06995	4.0
119.08586	39.5
121.10143	47.7
123.11710	24.3
125.09644	6.6
131.08611	3.0
133.10147	24.7
135.11711	33.5
135.79816	2.2
137.13251	8.5
139.11221	3.6
145.10143	10.4
147.11696	29.6
149.13264	20.1
157.10132	3.1
159.11717	4.7
161.13293	21.3
163.14844	32.7
165.09181	2.4
165.12691	2.9
173.13287	5.5
175.11035	2.0
175.14769	12.2
177.16403	19.2
179.14287	4.9
187.14824	6.5
189.16415	15.1
191.16182	3.9
191.17944	60.2
201.16411	7.2
203.17947	32.7
205.19562	8.7
207.17427	5.2
215.18007	3.2
217.19557	30.8
219.21085	3.2
221.19034	9.9
221.99438	2.6
229.19621	4.4
231.21098	5.3
233.19020	4.1
235.20540	19.6
245.22787	4.6
259.23993	2.3
289.32013	2.4
395.36664	10.2
407.36667	4.6
410.00867	2.7
413.37683	10.9
425.37857	29.4
426.38321	3.3
443.33459	18.3
443.38776	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	443.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.2
57.07078	5.8
67.05508	32.1
69.07076	24.1
69.90590	15.8
69.91019	5.5
71.15169	3.9
75.52258	3.5
79.05492	19.7
81.07066	58.7
83.08613	10.3
85.06532	6.3
86.99827	3.5
88.90180	3.6
91.05468	18.1
91.85146	3.3
93.07058	41.7
95.08613	100.0
97.06530	4.5
97.10153	5.0
99.08079	7.1
105.07048	29.8
107.08602	57.5
109.06530	3.8
109.10169	77.0
112.23100	4.2
119.08588	47.2
121.06516	3.6
121.10149	43.6
123.11723	28.4
125.09657	7.2
131.08614	6.2
133.10133	26.3
135.08026	7.2
135.11726	38.8
137.09642	8.3
137.13246	12.1
145.10124	9.1
147.11703	28.2
149.13284	21.7
159.11707	15.8
161.13284	24.8
163.14835	23.6
165.09137	62.0
173.13283	11.1
175.04254	4.2
175.14844	15.5
177.16396	9.5
179.14346	10.9
187.14883	6.9
189.16394	20.6
191.17986	33.2
201.16447	7.6
203.18028	24.5
205.15970	5.9
205.19528	6.4
207.17464	11.3
215.17987	8.4
217.19601	23.8
221.19011	8.5
231.21057	4.2
235.20406	5.1
405.77673	4.1
407.32986	8.0
425.33514	13.7
425.37881	19.9
443.33844	7.8
443.38791	18.1
469.34872	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	443.3887
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05503	12.7
57.07078	4.8
63.10030	2.7
67.05503	16.2
69.07073	15.3
69.35244	18.7
69.35670	10.2
71.04980	3.1
75.18481	3.3
79.05489	13.7
81.07063	42.7
83.08610	9.1
85.33947	2.9
91.05495	10.5
93.07053	30.1
95.08612	100.0
105.07053	19.9
107.08606	53.3
109.10162	58.4
119.08578	30.4
121.10143	47.8
123.11719	19.4
125.09650	8.0
131.08585	5.1
133.10187	21.2
135.11705	33.7
137.13263	5.9
139.11218	6.0
139.59688	3.4
145.10141	7.5
147.11696	17.8
149.13249	18.3
159.11729	10.2
161.13249	18.4
163.14868	33.2
173.13232	5.0
175.14853	10.0
177.16377	13.7
179.14322	5.1
187.14806	5.3
189.16415	9.9
191.17970	70.9
201.16354	6.2
203.18010	17.5
205.19514	4.2
207.17322	4.0
213.66043	3.2
215.17896	6.4
217.19521	26.8
219.20964	4.5
221.19029	11.9
224.25961	3.0
229.19458	3.8
231.21141	4.1
233.19026	4.6
235.20613	27.9
245.22583	3.6
395.36795	4.3
407.36905	6.5
413.37823	5.6
425.38010	24.5
443.33514	4.6
443.38867	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	443.3884
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
50.61464	2.4
55.05510	15.0
57.07052	3.4
63.84633	2.8
65.47529	2.8
67.05502	26.7
69.07073	24.4
71.05952	5.9
76.49689	2.9
79.05486	17.0
79.41583	2.9
81.07061	40.6
81.27720	2.5
83.08620	13.1
87.91045	2.8
91.05472	13.6
93.07044	41.4
95.08608	100.0
97.10179	9.3
99.08111	8.8
105.07017	24.2
107.08595	62.9
109.10159	72.1
111.08073	4.3
119.08582	35.0
121.10149	52.5
123.08029	3.9
123.11680	21.4
124.98676	3.4
125.09696	4.0
127.07567	3.3
129.73238	2.6
131.08536	3.8
133.10127	30.9
135.11707	37.2
135.36726	3.0
137.13254	10.4
145.10123	13.1
147.11700	32.7
149.13237	27.5
159.11736	10.5
161.13232	26.0
163.14809	38.1
173.13216	6.8
175.14874	16.6
177.16380	24.5
179.14345	7.6
184.20239	2.6
187.14845	8.4
189.16328	14.9
191.17972	64.2
201.16487	4.1
203.17958	38.1
205.19528	10.0
207.17433	7.2
215.14497	3.1
215.18040	5.0
217.19496	40.5
221.19043	12.3
231.21094	6.4
233.22556	3.1
235.20599	24.3
245.22807	4.1
254.65022	3.6
298.34595	3.1
343.79480	3.0
395.36710	11.6
395.41965	3.0
407.37054	7.8
413.37784	14.7
425.38211	27.1
443.33578	16.2
443.39078	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	443.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
54.58764	2.1
55.05521	14.1
57.07066	4.4
65.03944	2.4
67.05508	24.3
68.85258	1.9
69.03426	3.9
69.07075	23.4
71.04993	2.2
71.58470	2.2
71.58862	2.9
79.05496	23.3
79.54984	2.0
81.07062	58.1
83.04977	6.2
83.08620	6.5
85.06543	3.4
91.05489	25.7
93.07053	46.1
94.07363	3.1
95.04972	6.6
95.08614	77.1
96.08938	5.1
97.06533	4.0
97.10198	5.5
99.04487	5.1
105.07041	56.3
106.07372	6.0
107.08604	65.5
108.08935	3.7
109.06533	9.2
109.09441	3.8
109.10168	45.0
111.08066	4.8
117.07025	8.7
119.08591	56.7
119.23837	2.2
120.08948	4.4
121.06492	6.4
121.10148	45.2
122.10489	4.3
123.08052	5.9
123.11719	17.0
125.09586	2.5
129.06978	3.2
129.56506	2.2
131.08585	22.7
133.10141	44.9
134.10437	2.9
135.08073	6.9
135.11703	17.2
137.09627	8.7
137.13258	5.3
139.07552	3.7
142.07767	3.0
143.08568	9.7
145.10150	22.1
146.10486	3.7
147.08052	5.1
147.11699	34.0
148.12064	3.8
149.09566	5.5
149.13272	27.7
151.11163	3.7
155.08542	2.6
156.09294	2.7
157.10133	12.9
159.11734	22.8
160.12161	3.2
161.09639	9.2
161.13301	18.5
162.13669	2.6
163.11195	6.7
163.14845	23.2
165.09131	16.5
167.10695	2.1
169.08563	2.9
169.10046	3.7
170.10881	3.1
171.11716	6.4
172.03970	4.0
173.13272	25.6
175.11266	4.1
175.14868	42.1
176.15149	3.2
177.12804	4.7
177.16446	11.9
183.11674	3.1
185.13287	6.1
186.13469	2.4
187.14845	16.1
188.15234	4.9
189.12868	3.8
189.16415	12.4
191.14323	14.4
191.18044	12.2
197.13261	3.1
199.14807	9.5
201.16449	10.2
202.16708	7.6
203.14433	11.8
203.17978	100.0
204.06622	3.8
204.18329	6.7
209.15334	3.5
213.16422	12.2
215.18021	11.6
217.15935	6.3
217.19585	22.8
221.15355	7.7
227.18019	3.5
229.16045	2.7
231.21077	2.5
239.16330	13.2
241.19556	4.7
243.21175	4.5
245.22644	3.1
247.16963	2.3
255.21004	3.6
257.22647	2.8
267.21375	2.6
377.32242	2.3
389.31992	5.1
407.33035	12.3
415.19812	3.1
425.34149	24.5
443.28384	3.9
443.35211	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	443.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.05508	16.9
57.07069	10.8
59.41074	2.1
65.03918	4.4
67.05512	26.5
67.38818	2.1
69.03432	9.8
69.07071	25.4
70.06593	4.6
71.05007	4.0
72.08172	2.2
79.05492	21.3
79.33253	2.1
81.03440	11.1
81.07060	56.1
83.04964	5.4
83.08615	8.4
85.02903	11.7
85.06550	13.2
86.09714	2.8
87.00840	4.9
91.05481	35.0
93.07052	48.7
95.04977	9.4
95.08613	77.1
96.86404	2.4
97.02885	6.4
97.06515	9.9
97.10181	6.1
99.04456	5.3
99.08091	6.8
105.01855	4.8
105.07032	79.1
107.04956	3.4
107.08600	66.6
109.02882	5.0
109.06530	9.4
109.10162	42.5
111.08086	10.7
111.11726	4.1
114.63208	2.5
115.05446	4.0
116.04993	3.2
117.07024	12.5
119.08591	80.3
120.08961	2.5
121.06497	14.8
121.09293	4.6
121.10147	52.2
122.06042	6.5
123.04395	2.9
123.08119	11.0
123.11719	14.2
125.09628	3.7
127.03928	10.1
128.06219	4.1
129.06979	5.6
130.07774	3.2
131.08585	29.6
133.06537	3.1
133.10143	73.8
135.08043	13.1
135.11697	23.3
136.07574	10.2
137.09628	13.6
137.13171	2.5
142.07747	6.8
143.08559	14.6
144.04492	6.0
144.09294	4.0
145.04974	3.0
145.10133	56.5
147.08022	5.2
147.11693	39.4
147.12776	3.8
149.09627	6.7
149.13293	19.8
151.07526	7.0
156.09328	4.5
157.10149	22.8
158.10890	3.2
159.11702	45.3
161.09631	15.4
161.13274	30.8
162.05569	3.5
163.11214	6.7
163.14862	30.8
165.09125	68.7
165.12939	2.7
169.10100	4.8
171.11710	10.2
172.03966	29.3
172.12384	3.2
173.13254	28.2
175.11200	9.1
175.14836	42.6
175.16264	3.7
177.12746	9.7
177.16420	21.2
185.13232	6.4
187.14844	69.3
188.15160	4.3
189.12769	5.5
189.16394	35.3
191.10582	2.8
191.14320	91.4
191.17950	85.1
195.13818	2.9
197.13403	2.8
199.14847	23.2
201.16418	11.4
203.14453	11.4
203.17975	100.0
204.06590	37.5
205.12192	3.0
205.15860	26.3
211.14668	2.4
215.14240	4.3
217.15935	27.3
221.15422	4.6
225.08954	2.1
225.16370	3.4
227.17834	3.6
229.15802	3.4
235.16922	9.1
287.10220	4.8
339.13229	4.9
363.11334	2.8
365.65747	2.6
389.31824	4.1
407.32901	11.9
425.33939	8.2
443.35126	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	443.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
54.18406	1.9
55.05509	13.2
55.26580	2.1
57.07069	3.0
64.18163	2.2
64.59843	2.2
67.05508	19.4
69.07068	17.9
69.26239	24.8
79.05508	14.7
81.07056	43.2
82.07364	2.4
83.08595	5.8
85.02893	3.3
91.05482	20.7
93.07049	39.7
95.04926	6.4
95.08607	69.8
97.10174	4.1
99.04433	2.9
105.07038	60.5
106.07377	2.3
107.08593	59.1
109.06508	5.7
109.10161	39.2
117.07006	5.0
119.07784	3.9
119.08581	51.3
121.06493	6.5
121.09302	3.9
121.10144	47.2
122.06020	4.5
123.08057	5.7
123.11728	10.9
129.06969	4.8
131.08554	13.6
133.10127	40.8
135.08066	5.8
135.11726	19.2
137.09599	3.7
142.07671	3.1
143.08536	8.5
145.10126	24.1
146.39134	2.4
147.08070	5.0
147.11696	36.6
149.09610	3.3
149.13243	29.4
151.11197	5.1
156.09274	3.4
157.10106	11.0
158.09656	2.6
159.11687	22.2
160.03905	3.8
161.09619	5.8
161.13280	22.8
162.05557	2.6
163.11240	4.5
163.14844	26.5
171.11650	8.0
172.03891	9.0
173.13309	23.2
175.11105	2.8
175.14818	34.3
177.12753	3.0
177.16336	16.3
183.11731	4.0
185.13203	3.5
187.14783	16.4
189.12697	5.9
189.16417	16.4
191.14372	17.2
191.15802	2.3
191.16251	2.7
191.17926	19.3
199.14818	9.0
201.16367	9.2
203.14452	12.8
203.17955	100.0
204.06538	13.8
204.18227	4.4
205.15939	3.2
213.16379	7.3
215.17978	9.2
217.15884	9.4
217.19476	17.0
221.15523	11.2
227.17982	3.7
231.21056	4.2
238.38730	2.5
239.16348	11.5
243.20946	4.1
245.22737	2.9
267.21182	5.3
271.24207	2.9
287.10278	8.7
297.22220	2.4
339.09729	4.3
339.13388	3.2
373.10217	2.7
389.31937	4.3
407.32935	10.3
425.34567	16.2
443.35342	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	443.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
54.18406	1.9
55.05509	13.2
55.26580	2.1
57.07069	3.0
64.18163	2.2
64.59843	2.2
67.05508	19.4
69.07068	17.9
69.26239	24.8
79.05508	14.7
81.07056	43.2
82.07364	2.4
83.08595	5.8
85.02893	3.3
91.05482	20.7
93.07049	39.7
95.04926	6.4
95.08607	69.8
97.10174	4.1
99.04433	2.9
105.07038	60.5
106.07377	2.3
107.08593	59.1
109.06508	5.7
109.10161	39.2
117.07006	5.0
119.07784	3.9
119.08581	51.3
121.06493	6.5
121.09302	3.9
121.10144	47.2
122.06020	4.5
123.08057	5.7
123.11728	10.9
129.06969	4.8
131.08554	13.6
133.10127	40.8
135.08066	5.8
135.11726	19.2
137.09599	3.7
142.07671	3.1
143.08536	8.5
145.10126	24.1
146.39134	2.4
147.08070	5.0
147.11696	36.6
149.09610	3.3
149.13243	29.4
151.11197	5.1
156.09274	3.4
157.10106	11.0
158.09656	2.6
159.11687	22.2
160.03905	3.8
161.09619	5.8
161.13280	22.8
162.05557	2.6
163.11240	4.5
163.14844	26.5
171.11650	8.0
172.03891	9.0
173.13309	23.2
175.11105	2.8
175.14818	34.3
177.12753	3.0
177.16336	16.3
183.11731	4.0
185.13203	3.5
187.14783	16.4
189.12697	5.9
189.16417	16.4
191.14372	17.2
191.15802	2.3
191.16251	2.7
191.17926	19.3
199.14818	9.0
201.16367	9.2
203.14452	12.8
203.17955	100.0
204.06538	13.8
204.18227	4.4
205.15939	3.2
213.16379	7.3
215.17978	9.2
217.15884	9.4
217.19476	17.0
221.15523	11.2
227.17982	3.7
231.21056	4.2
238.38730	2.5
239.16348	11.5
243.20946	4.1
245.22737	2.9
267.21182	5.3
271.24207	2.9
287.10278	8.7
297.22220	2.4
339.09729	4.3
339.13388	3.2
373.10217	2.7
389.31937	4.3
407.32935	10.3
425.34567	16.2
443.35342	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	443.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71133	2.3
53.03953	2.8
55.05517	11.7
56.34661	2.1
57.07077	2.7
59.10365	2.3
62.38634	2.1
65.03932	2.7
67.05508	19.9
69.07066	22.7
70.30786	6.9
75.92211	2.2
79.05502	17.4
81.07060	40.7
83.04976	2.7
83.08619	6.7
89.03884	3.6
91.05485	20.1
93.07054	36.9
95.04975	7.1
95.08044	4.5
95.08614	63.8
97.06544	4.0
97.10172	4.4
105.07029	54.3
107.08596	53.2
109.06499	6.8
109.10165	34.3
111.08105	3.8
112.44447	2.3
112.99934	2.5
116.05012	2.4
117.07025	5.8
119.08588	47.8
121.06480	5.8
121.10152	44.0
122.06001	7.6
123.08070	5.6
123.11706	8.9
129.06976	4.8
130.07750	2.9
131.08586	24.5
133.10133	45.5
135.04388	5.1
135.08055	3.7
135.11703	19.9
135.81494	2.2
136.07587	7.8
137.09612	8.7
142.07773	4.7
143.08549	8.6
144.04459	7.1
145.10126	20.8
147.11702	37.1
147.12816	5.0
149.09621	7.4
149.13232	19.5
151.11186	4.1
157.10104	13.1
159.11700	22.9
161.09592	5.7
161.13249	21.5
161.77313	2.4
162.05466	3.6
163.03883	13.1
163.11218	5.6
163.14856	20.9
165.09096	19.6
171.11751	5.3
172.03947	28.1
173.13295	20.8
175.11145	5.2
175.14856	31.9
177.12732	4.0
177.16414	13.9
185.13290	8.4
187.14822	14.7
189.16376	14.0
191.14362	14.8
191.17992	17.3
199.14810	9.3
201.16396	10.4
203.14406	11.1
203.17957	100.0
204.06572	39.2
205.15840	5.1
213.16347	7.3
215.17862	7.4
217.15915	6.8
217.19569	19.5
221.15363	9.9
231.21056	3.0
239.16263	11.0
241.19582	4.5
253.05052	4.7
265.65579	2.6
281.04440	31.6
282.05084	6.1
334.20334	2.3
339.13422	8.9
389.31982	4.8
403.00824	2.5
407.33310	13.0
425.34296	21.9
435.44547	2.8
443.35498	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	443.3524
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.39850	2.7
50.70707	3.6
51.19145	3.0
53.03933	4.6
55.05509	17.0
67.05510	19.6
69.07060	18.0
70.72868	3.6
71.59013	4.1
79.05515	23.8
81.07064	34.8
83.08607	11.3
85.06540	3.8
91.05486	26.4
93.07063	42.7
95.08617	50.6
97.06513	4.7
99.08086	22.9
105.07038	61.0
107.08602	98.6
109.10165	40.3
111.03607	3.6
111.08121	4.7
117.07014	5.6
119.08592	100.0
120.08946	4.4
121.10146	59.4
123.08051	5.0
123.11713	16.7
127.07497	4.3
131.08583	38.7
133.06465	3.4
133.10132	55.0
135.08055	17.1
135.11697	41.7
136.08382	4.2
137.09616	4.3
143.08568	7.1
145.10136	41.2
147.08118	4.6
147.11707	63.9
148.11929	4.4
149.09555	5.6
149.13263	20.1
151.07570	5.9
151.11134	4.9
156.09329	3.4
157.10133	12.0
158.10797	3.0
159.11674	36.4
161.09653	5.5
161.13309	29.0
163.11192	8.0
163.14835	13.8
165.09114	10.4
169.10100	5.8
171.11719	11.9
173.13228	18.7
175.11223	8.0
175.14850	21.2
177.12730	3.8
177.16373	11.7
181.24857	3.3
183.11740	4.8
185.13246	12.0
187.14882	42.6
189.16437	19.7
191.17976	8.5
193.15938	3.5
197.13168	3.9
199.14850	14.3
201.12807	5.3
201.16400	55.6
203.14360	7.6
203.17961	9.9
204.06528	6.2
205.15926	31.4
207.17458	5.6
211.14880	5.2
213.16409	10.9
215.18028	9.7
217.15979	4.4
219.13773	8.8
219.17445	12.4
221.15417	4.7
223.14926	3.7
223.16998	10.9
227.17830	4.3
229.19580	9.3
231.17438	7.2
241.19328	3.8
245.18880	3.7
253.19580	4.6
335.27646	3.7
353.28244	4.7
371.29105	6.4
389.32401	4.9
395.33185	5.4
407.33206	37.8
425.34192	34.8
433.76077	3.5
443.34903	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	443.3526
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.02376	0.3
51.64839	0.3
53.03944	0.6
55.05511	1.7
57.07064	0.7
66.35901	0.3
67.05511	3.5
69.03400	0.3
69.07068	3.5
69.84909	0.3
71.04976	0.3
71.59579	0.3
72.94331	0.3
79.05495	2.8
81.06577	0.4
81.07062	7.6
81.42858	0.3
83.04986	0.5
83.08640	2.3
85.06532	0.7
91.05479	3.7
93.06463	0.4
93.07052	6.7
95.04962	1.1
95.08614	11.8
97.06539	0.5
97.10170	0.8
99.08113	0.5
103.05503	0.3
105.07029	6.6
107.08604	11.1
109.06522	2.3
109.10169	7.0
111.08085	1.0
117.07020	1.7
119.07784	0.5
119.08595	7.2
121.06512	1.4
121.10154	8.6
123.07173	0.4
123.08080	6.5
123.11718	3.1
125.09644	0.7
129.06990	0.6
130.07826	0.4
131.08582	5.5
133.06471	0.4
133.10138	6.8
135.08057	2.8
135.11703	4.4
137.09654	0.9
137.13242	0.7
139.59314	0.3
143.08566	1.8
145.10132	7.9
147.11691	7.5
147.12781	0.5
149.09685	1.6
149.13254	4.0
151.11163	1.9
155.74379	0.3
156.09346	0.3
157.10149	1.8
158.10902	0.4
159.11714	5.7
161.09612	0.4
161.13278	3.4
163.11211	1.3
163.14815	4.7
165.09077	0.3
165.12805	0.4
169.10149	0.5
170.10878	0.4
171.11684	1.4
172.03963	0.3
173.13280	2.9
175.11186	0.8
175.14832	1.7
177.12846	0.8
177.16399	3.7
183.11653	0.5
185.13287	1.7
187.14830	9.5
189.12688	0.4
189.16391	2.3
191.14316	0.6
191.18001	0.6
197.13281	0.7
199.14859	1.6
201.12683	0.4
201.16393	4.2
203.14426	1.5
203.17957	4.3
204.06589	0.3
205.15886	15.9
207.17491	0.6
211.14835	0.4
213.16467	1.5
215.17940	2.1
219.17459	1.8
223.16989	2.3
225.16519	0.3
227.17926	0.8
229.19566	0.7
231.17494	0.3
233.18895	0.3
239.17915	0.4
241.15865	0.4
241.19482	0.5
243.21065	0.6
249.18619	0.3
255.21191	1.9
269.22665	0.7
292.42734	0.3
311.23596	0.6
329.24789	0.5
347.25842	7.8
348.26123	0.3
354.94827	0.3
359.25732	0.3
373.27383	7.1
389.32367	0.3
407.33243	1.2
425.34167	3.5
443.35233	100.0
444.35513	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	443.3522
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03932	4.0
55.05500	13.7
57.07070	7.4
67.05516	28.2
69.07064	23.8
69.67757	3.9
70.41464	14.7
70.74568	3.6
71.08612	4.6
74.03250	4.2
79.05485	21.1
81.03387	3.3
81.07072	48.4
83.08612	16.5
85.06526	4.9
85.91022	3.9
87.04467	22.8
88.04768	5.3
91.05476	19.3
91.40144	3.4
93.07051	44.2
95.08614	62.4
97.10168	11.2
99.08099	71.4
105.07039	38.5
107.04993	4.0
107.08608	77.9
109.10168	62.1
117.06989	8.4
119.08587	59.7
121.10151	62.1
123.08075	7.7
123.11737	17.7
126.55510	4.1
127.07572	29.9
129.06950	6.1
131.08592	18.6
133.06467	4.4
133.10146	61.5
135.08104	7.3
135.11691	35.5
137.13232	8.3
139.11279	5.0
143.08513	9.3
145.10127	42.0
147.08089	5.2
147.11711	28.1
149.13237	25.4
151.14755	6.0
153.12790	5.1
157.10146	21.2
159.11714	36.0
161.09624	5.7
161.13292	25.5
163.11211	10.7
163.14828	30.5
165.09091	12.9
169.10112	4.7
170.10985	5.2
171.11761	17.9
173.13268	28.2
175.11128	8.7
175.14870	18.7
177.12759	6.0
177.16373	12.4
179.36520	3.6
183.11673	7.9
185.13225	14.9
187.14792	24.1
189.16342	11.9
191.14375	3.7
191.17946	14.8
195.11714	4.3
197.13274	5.4
199.14897	19.8
201.12773	8.3
201.16408	25.6
203.14342	6.3
203.17899	22.0
205.15906	13.9
209.13307	4.6
213.16452	20.3
215.17992	6.7
217.15903	7.5
217.19571	8.0
219.13812	11.2
219.17526	19.2
227.17986	9.0
231.17453	16.0
233.19020	6.4
237.18475	9.1
243.17496	8.4
245.19070	4.6
246.15791	4.4
249.18568	9.3
253.19449	4.8
273.21997	4.8
311.23532	4.0
357.31378	5.7
371.29175	4.4
385.30807	7.1
407.33041	44.4
425.34067	78.3
426.34164	5.0
443.33856	100.0
444.35025	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	443.3525
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.01889	4.9
55.05503	7.4
57.07079	3.9
57.19619	3.2
58.95992	3.0
61.02901	3.5
62.03788	3.1
66.04208	2.8
67.05506	17.9
69.07072	16.4
69.31530	4.5
69.31938	26.3
73.02911	3.2
78.36978	2.9
79.05046	2.7
79.05491	13.3
81.07056	27.4
83.04998	7.2
83.08633	4.4
85.02911	4.0
88.12083	2.5
88.96911	2.8
90.94849	3.1
91.05471	12.6
92.63183	2.9
93.07041	25.0
95.04984	4.0
95.08607	35.7
97.02934	3.7
97.06497	3.4
97.10182	3.6
98.21443	6.4
101.05965	3.9
105.07021	21.8
107.08603	36.0
109.06509	5.9
109.10162	25.2
111.08084	5.1
119.08602	40.3
121.10157	26.3
123.08083	9.2
123.11739	5.0
131.08553	6.1
133.10109	26.3
135.08110	7.4
135.11719	22.4
137.13251	6.6
139.11194	8.8
142.71622	3.5
143.08594	6.2
145.10158	18.1
147.08109	4.4
147.11720	17.6
149.13237	6.0
151.11179	6.5
156.09344	3.9
157.10136	9.6
159.11707	24.5
161.09695	4.8
161.13228	23.3
163.11148	3.2
163.14763	15.5
165.09088	17.7
171.11696	7.9
173.13249	11.0
175.14807	5.2
177.12770	4.1
177.16417	3.7
179.14299	29.6
185.13295	11.3
187.14865	10.0
189.12810	3.6
189.16428	7.4
191.17989	5.0
199.14868	9.8
201.16402	24.4
203.14381	5.6
203.17952	20.0
204.06601	3.0
205.15947	6.8
207.13783	5.4
213.16344	5.0
215.17992	4.9
217.15872	27.5
217.19315	4.2
219.17426	6.8
227.17978	9.8
235.16954	40.2
239.40184	3.0
245.04645	8.5
245.19234	3.5
253.19395	4.1
269.22836	5.9
333.15198	6.8
376.67331	4.4
407.33112	100.0
407.38303	5.9
425.34128	33.9
435.33841	3.3
443.35004	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	443.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05824	0.5
60.04539	0.7
60.05653	6.0
61.02908	0.5
63.92106	0.4
67.04671	0.5
67.05482	0.7
69.03441	0.8
69.07072	9.2
70.06599	22.1
70.70087	0.9
70.70392	0.6
71.05003	0.6
72.08157	1.7
81.03426	1.0
81.07024	0.6
82.01020	0.4
85.02918	1.2
86.09712	100.0
87.10058	0.6
105.05622	0.5
107.05008	0.4
112.08746	3.7
113.07125	0.5
115.08704	4.2
116.07107	8.1
117.07078	0.7
128.10735	17.9
129.11086	0.5
130.09802	2.9
130.15710	0.5
131.08554	0.5
133.09729	0.7
137.09677	0.5
154.97975	0.7
156.10219	1.0
156.11343	8.6
158.09259	7.2
172.98987	0.5
175.10413	1.0
175.11929	19.7
185.65857	0.5
195.10155	0.6
208.98337	0.5
226.15663	0.5
245.06500	0.5
263.16483	0.5
269.18637	1.4
271.17688	8.4
288.20306	0.7
299.05997	0.6
328.76443	0.5
341.19559	0.6
399.16595	0.6
425.28256	0.7
443.16470	1.7
443.29803	85.6
444.29980	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	443.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.05527	5.1
57.07085	1.1
65.03928	2.3
67.05512	6.5
69.03433	1.9
69.07071	5.4
70.20164	4.6
79.05489	4.2
81.07069	10.6
83.04958	1.8
83.08603	3.3
91.05489	6.4
93.07049	8.8
95.04974	2.2
95.08617	15.2
97.10156	1.1
97.37144	1.0
105.07043	12.6
107.08612	15.0
109.06505	3.5
109.10168	10.5
111.08067	1.7
115.05461	0.9
117.07042	2.7
119.08596	14.9
121.06503	3.3
121.10159	10.9
123.08093	2.6
123.11677	3.4
129.06993	1.4
131.08617	5.0
133.06540	5.1
133.10139	12.3
135.08067	42.9
135.11699	5.4
137.09601	3.0
137.13245	1.3
139.03867	1.4
143.08548	3.8
145.10141	10.8
147.08018	4.7
147.11740	6.2
149.02330	7.3
149.03444	2.1
149.09621	5.2
149.13281	2.9
151.11240	1.3
157.10115	4.5
159.08083	2.0
159.11693	9.3
160.08812	1.4
161.09650	9.4
161.13271	5.3
163.03938	1.9
163.11212	2.6
163.14803	2.1
165.09134	11.9
165.12807	1.1
169.10028	1.9
171.11665	4.7
172.03923	3.5
173.09593	2.0
173.13255	4.0
174.10471	1.2
175.11224	7.2
175.14827	4.2
177.12781	2.5
177.16403	3.8
183.11691	1.2
185.13271	4.0
187.11163	1.4
187.14848	6.3
189.12749	3.3
189.16385	4.0
191.14317	1.8
193.04929	1.2
197.13206	2.3
199.14775	3.4
201.12766	1.3
201.16368	4.6
203.14339	24.1
203.17935	3.8
204.06534	4.0
205.15916	10.8
213.12798	1.3
213.16452	1.4
217.15874	8.8
219.13800	1.2
219.17479	2.5
225.16209	1.4
231.17583	1.2
235.90506	1.2
241.19402	1.3
254.20018	1.1
271.20190	1.2
278.08694	1.0
285.07611	1.5
291.20721	1.3
297.22183	1.1
337.21854	1.1
389.28442	1.4
407.33371	2.2
417.11597	1.1
425.29489	1.6
425.33954	5.2
443.14053	5.5
443.31439	100.0
444.31714	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	443.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15226	1.5
53.03948	3.5
53.24692	1.6
55.01870	4.1
55.05511	16.9
57.03449	1.9
57.07071	3.7
59.04990	3.5
63.19353	1.4
64.51730	1.6
67.05218	1.8
67.05515	20.1
67.09743	1.4
68.99801	2.2
69.03432	9.8
69.07074	54.0
71.04987	3.0
71.08648	1.7
73.02895	2.0
79.05498	15.3
81.03419	8.0
81.07063	33.6
83.04992	11.5
83.08625	8.3
84.08158	12.7
85.02895	11.8
85.06565	7.7
87.00816	6.7
91.05502	15.6
93.07054	33.7
95.04961	8.1
95.08616	43.5
97.02898	5.5
97.06527	6.1
97.10149	3.6
99.04440	4.4
99.08103	8.2
103.03998	1.9
105.01889	2.8
105.07042	24.1
107.04958	4.8
107.08599	32.5
108.08855	1.7
109.02881	5.4
109.06520	6.2
109.10168	26.0
111.04438	2.5
111.08080	3.8
111.11726	21.6
115.03975	2.3
116.10742	2.1
117.07030	6.9
119.08594	31.8
121.06536	9.6
121.10146	24.0
122.06048	4.4
123.08084	5.8
123.11718	12.8
125.09548	3.6
127.03910	9.6
129.01830	1.5
129.07034	3.7
131.08572	9.0
133.10152	20.6
133.11095	2.5
135.04422	1.6
135.08044	2.2
135.11691	14.3
136.07550	2.6
137.06015	4.3
137.09630	5.8
137.13219	3.6
137.33670	1.6
139.07553	2.1
139.11195	14.6
143.08568	9.5
144.04462	4.9
145.04994	3.5
145.10110	15.2
147.04422	2.4
147.08089	5.4
147.11710	18.9
148.07672	2.0
149.09631	3.3
149.13249	8.2
151.07474	1.6
151.11201	3.7
157.10109	9.1
159.08104	1.6
159.11722	15.5
161.09688	3.2
161.13260	10.9
163.03918	3.0
163.11269	2.2
163.14864	11.4
165.09119	32.5
166.09406	2.2
169.10159	3.7
171.11690	8.2
172.03966	11.5
172.12311	1.8
173.13277	10.1
175.14845	11.3
177.09091	2.3
177.12794	4.3
177.16409	16.6
179.14386	2.0
183.11691	3.9
185.13272	8.8
187.14803	11.2
189.12784	1.7
189.16409	5.4
191.14389	2.9
191.17891	1.8
193.15958	3.1
195.11765	2.8
195.13683	2.0
195.17516	4.3
197.13329	2.4
199.14845	7.0
201.16376	9.8
203.14313	2.5
203.18069	2.3
204.06590	19.9
205.15910	11.4
209.13240	2.0
211.14859	3.1
213.16493	3.5
217.15872	3.6
217.19460	2.1
219.17508	2.5
223.14948	2.0
223.17004	5.6
225.16595	2.0
227.14281	2.8
227.18005	3.0
231.17380	2.6
255.21057	2.4
261.22260	2.1
273.22253	3.6
281.04483	7.0
285.18573	2.8
287.23572	2.4
301.21680	3.9
303.19623	2.9
321.20651	3.2
329.25137	2.2
339.13422	1.7
357.18912	7.6
389.19656	2.4
399.19943	40.0
399.24963	3.1
406.73666	1.7
407.20605	2.9
407.33160	11.7
425.21606	5.4
425.34302	14.0
443.18909	100.0
443.35516	8.0
444.19110	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	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01871	8.1
55.05513	17.2
57.03425	5.0
57.07067	6.4
61.02945	4.0
67.05507	28.5
68.99778	4.2
69.03433	24.7
69.07076	42.2
69.56779	19.2
71.05000	5.2
79.05492	20.6
81.03439	15.1
81.07064	45.0
81.87787	2.9
83.04981	8.4
83.08630	6.4
84.08129	11.8
85.02908	34.9
85.06546	21.7
87.00841	13.0
91.05483	17.3
93.07051	33.0
95.04964	12.3
95.08612	58.3
97.02920	17.7
97.06516	7.1
97.10165	5.3
99.04440	5.3
99.08089	9.9
105.01881	9.1
105.07047	26.0
105.07732	3.8
107.04949	6.1
107.08601	36.6
108.08150	3.0
109.02895	9.8
109.06509	9.5
109.10169	31.1
111.04436	6.6
111.08074	6.1
111.11721	16.4
115.03960	4.8
117.06974	3.4
119.08600	31.3
121.06507	7.1
121.10155	28.7
122.06054	6.4
123.04465	3.1
123.08055	5.7
123.11699	11.3
125.06069	3.1
125.93784	2.9
127.03947	14.1
129.01903	2.9
129.06982	3.2
131.08563	14.2
133.06470	3.3
133.10129	16.6
135.08043	4.6
135.11710	15.3
136.07561	3.1
137.06035	4.4
137.09627	12.9
137.13252	4.0
139.11174	7.6
143.08527	9.1
144.04428	4.0
145.04912	4.4
145.06386	3.5
145.10130	18.1
147.08121	6.4
147.11682	22.5
149.09612	8.0
149.13226	9.4
151.07549	4.0
155.08621	4.6
157.10127	9.9
159.02905	5.9
159.07964	2.9
159.11676	14.5
161.13252	11.9
163.07515	3.3
163.11148	3.0
163.14890	4.2
165.09125	100.0
165.10510	6.0
166.09433	3.4
167.09885	3.0
169.10114	5.4
171.11722	5.1
172.02676	2.7
172.03920	18.0
173.13208	13.5
175.11250	3.1
175.14813	22.6
177.12822	4.0
177.16411	30.9
179.14357	3.4
185.13268	7.4
187.11197	3.6
187.14749	14.6
189.12781	5.3
189.16434	5.0
193.15874	5.4
195.17415	6.4
199.14694	8.0
201.16415	11.5
203.14307	3.9
204.06543	27.0
205.12206	4.5
205.15903	3.8
213.16403	5.6
217.16069	3.2
217.70523	2.7
219.17526	3.4
220.90282	2.3
223.16968	3.3
225.16409	3.3
231.17458	4.4
243.17494	2.9
249.18716	3.3
256.18542	3.1
261.63702	3.5
267.17398	4.2
285.18463	11.8
288.74396	2.7
303.19556	8.0
339.13412	5.2
389.18951	3.0
407.20770	6.8
425.21631	6.4
425.33911	3.7
443.35663	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	443.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	0.3
55.14409	0.3
63.02394	0.3
65.03951	0.8
67.05497	0.5
69.37328	2.6
79.05496	0.8
81.03400	0.5
85.06536	0.4
89.03930	3.3
91.05466	0.7
93.07032	0.4
94.06559	0.9
95.08627	0.5
97.02877	0.3
98.21453	0.5
103.05443	0.6
105.06950	0.3
105.46722	0.2
108.08133	1.2
116.04987	12.3
117.01658	0.2
118.06535	0.4
120.08103	2.5
122.06033	18.2
133.32431	0.3
134.06001	0.9
136.07584	17.2
138.05470	0.8
144.04457	21.2
145.04900	0.3
146.06024	1.1
148.03951	0.3
148.07581	4.8
162.04272	0.5
162.05528	6.7
165.09105	0.3
172.03944	68.7
173.04269	0.7
174.05554	1.5
190.05029	1.7
195.85681	0.3
204.06573	100.0
205.06905	2.1
209.10727	0.4
223.12425	0.4
236.09372	0.4
251.11858	1.2
279.11343	1.3
307.10751	0.3
311.13901	1.5
325.11691	0.5
339.13394	15.1
351.24716	0.3
443.14142	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	443.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82430	0.4
53.03935	0.5
55.05502	0.6
61.40707	0.4
65.03933	0.9
67.05501	1.0
69.03432	0.5
69.91647	1.8
73.87009	0.5
79.05493	1.3
79.98976	0.3
80.05019	0.5
81.03382	0.4
81.07056	1.6
85.77038	0.5
89.03922	3.0
91.05483	1.7
93.07041	1.9
94.06538	0.6
95.08627	2.5
97.02882	0.5
103.05501	0.6
104.00408	0.5
105.07010	2.4
107.08598	1.5
108.08124	1.1
109.06558	0.5
109.10163	1.2
116.04983	10.8
119.08559	1.6
120.08115	2.1
121.10165	1.4
122.06041	18.5
131.08592	0.9
132.08080	0.5
133.10118	1.3
134.06033	1.0
135.11699	0.4
136.07582	17.9
138.05528	0.7
144.04454	19.9
145.10097	1.1
146.06032	1.2
147.11705	1.0
148.07597	5.2
149.13261	0.7
159.47543	0.4
161.09673	0.6
161.13254	0.6
162.05524	6.7
163.03903	0.5
163.14830	0.9
172.03946	66.7
173.04283	1.0
173.13274	0.4
174.05527	0.7
175.14880	0.8
176.07007	0.5
177.16438	0.5
187.14804	0.9
189.16434	1.0
190.04955	2.0
191.14333	0.6
191.17920	0.5
201.16623	0.5
203.18057	3.1
204.06578	100.0
205.06946	2.0
205.15843	0.5
236.09549	0.7
251.11879	0.8
279.11313	1.0
307.10736	0.6
311.13858	1.4
339.13367	15.3
340.13931	0.5
351.92667	0.5
385.19278	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	443.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05511	0.7
57.03431	0.4
65.03944	0.7
67.03742	0.2
67.05493	0.7
69.03427	1.7
69.07068	1.1
69.46370	1.3
69.46776	0.7
71.05003	0.5
72.08157	0.3
79.05494	1.1
81.03426	1.2
81.07092	1.4
85.02924	1.5
85.06539	0.7
87.00823	0.7
87.96388	0.3
89.03925	2.2
91.05500	0.8
93.07077	1.7
94.06576	1.2
95.04984	0.5
95.08617	2.2
97.02898	0.6
99.04504	0.4
99.08118	0.7
103.05489	0.7
105.01856	0.6
105.07050	1.1
107.08579	2.2
108.08130	1.2
109.02878	0.8
109.10162	0.8
116.04987	11.7
118.06554	0.7
119.08578	0.8
120.08127	2.1
121.10145	2.7
122.06044	20.2
123.08061	0.5
123.11720	0.9
125.09675	0.4
127.03941	1.7
133.10143	1.0
134.06010	0.7
135.11699	0.9
136.07590	16.1
137.13254	0.4
138.05502	0.6
143.08563	0.3
144.04459	20.6
145.05000	0.4
145.10129	0.6
146.05995	1.4
147.11688	0.6
148.07570	4.9
159.11717	0.6
161.13336	0.4
162.05507	6.0
172.03947	65.9
173.04318	0.8
174.05528	1.4
175.14809	0.8
176.07263	0.3
177.16374	3.5
187.14864	0.5
189.04095	0.4
190.04984	2.2
204.06580	100.0
205.06906	1.3
219.17334	0.4
235.08704	0.3
236.09500	0.5
243.17513	0.4
251.11780	0.7
264.08789	0.4
279.11383	1.4
281.17444	0.5
285.18347	0.4
303.19543	0.4
311.10538	0.3
311.13922	1.2
325.11761	0.6
339.13416	14.5
340.13693	0.3
443.13226	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	441.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	35.5
57.07081	12.6
60.53073	6.4
67.05517	39.4
69.07076	48.0
71.00288	19.6
71.08644	8.9
74.79687	6.9
79.05506	21.7
81.07062	85.5
83.08636	35.0
85.01202	6.3
87.99625	6.9
91.05508	17.6
92.85369	7.6
93.07040	45.1
95.08617	100.0
97.10182	18.1
101.74210	7.3
105.07047	25.5
107.08611	93.5
109.10162	93.0
119.08559	43.1
121.10158	62.3
123.08060	9.4
123.11721	59.8
131.08549	12.0
133.10132	29.1
135.08070	11.0
135.11723	53.0
137.13289	20.9
145.10100	9.0
147.11690	24.8
149.13266	52.7
159.11665	13.4
161.13280	28.6
163.14850	59.5
172.10365	8.1
172.31396	7.2
173.13350	12.2
175.14848	10.8
176.31895	7.4
177.16467	22.6
179.14336	24.7
189.16425	21.6
191.17899	37.6
203.18033	14.2
205.19595	14.4
207.17506	13.1
215.18019	12.1
217.19540	11.6
219.21150	11.1
233.22701	13.2
304.36887	7.6
312.13217	9.7
396.28629	7.4
423.39865	29.0
441.16339	8.1
441.41046	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	443.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93525	2.8
56.94291	1.7
57.32776	0.8
67.05504	0.9
69.03423	2.3
69.72214	5.4
70.06599	4.1
70.95879	1.1
71.04988	2.1
72.08144	1.6
72.93774	9.7
81.03418	4.7
81.07075	1.1
83.04994	1.2
85.02894	2.0
86.09702	2.1
90.94849	3.2
91.05486	1.1
93.07064	1.0
95.04965	2.1
97.02929	1.1
109.06507	1.3
116.07039	0.9
119.08599	0.9
121.06490	1.2
126.98457	1.6
127.03982	0.9
128.96349	1.9
132.95848	0.9
134.97415	1.1
135.04417	2.5
135.44356	0.8
138.98402	1.2
142.97948	1.3
144.99414	0.9
146.97438	1.2
147.04402	0.9
148.99089	0.9
150.96849	0.9
152.96297	1.1
154.97906	97.4
155.98158	1.3
160.98940	1.0
162.97008	1.1
163.03896	8.5
164.94820	0.9
166.97919	2.1
168.99464	2.5
170.97452	1.4
171.01079	1.0
172.98979	78.2
173.99225	1.0
178.97934	1.2
180.99474	3.8
182.97365	3.3
184.99016	6.6
187.00565	2.4
192.99522	1.7
194.19019	0.8
196.00552	4.1
196.98975	12.5
199.00539	2.0
203.01595	1.1
207.01045	0.9
209.02614	8.5
211.00531	8.2
212.98534	1.6
213.02135	1.0
215.00015	20.1
215.01933	1.4
219.01024	8.5
221.02638	11.1
223.00497	2.0
227.00014	2.7
227.03693	2.4
233.01068	16.8
238.01598	1.3
239.03691	14.2
241.01497	1.7
245.01175	1.8
251.03790	5.2
253.01709	1.3
257.01123	1.2
262.05347	1.2
263.03677	5.6
269.04700	4.4
271.02679	1.1
281.04706	41.1
281.17438	2.0
282.09714	3.8
283.02704	1.8
285.14740	0.9
299.05783	100.0
300.06012	2.6
304.06146	1.2
313.07318	1.8
322.07532	4.2
323.05704	5.5
334.18930	1.0
341.06851	3.8
383.08023	1.5
443.09955	26.1
443.15979	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	441.3729
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
55.05520	9.5
57.07055	6.4
58.19481	3.6
67.05514	30.5
69.07069	28.6
79.05486	19.1
81.07062	77.7
83.08625	10.3
85.06548	7.7
91.05482	14.7
93.07050	47.6
95.08606	100.0
105.07027	31.3
107.08596	61.3
109.10169	69.8
111.08086	5.9
119.08580	54.1
121.10140	69.2
123.11710	26.2
131.08563	13.8
133.10132	33.6
135.08049	8.1
135.11707	38.1
137.09566	4.3
137.13266	9.7
145.10123	28.5
147.11682	34.7
149.13275	23.8
159.11708	23.5
159.13622	4.6
161.13266	31.7
163.07506	7.6
163.14859	26.0
165.09129	44.6
171.11678	4.1
173.13271	18.6
175.14812	33.4
177.12756	3.9
177.16414	19.0
185.13226	6.1
187.14828	13.6
189.16383	23.3
189.17963	4.2
191.14330	7.7
191.17953	59.6
193.15860	9.4
199.14809	4.5
201.16386	15.7
203.17863	20.2
205.12242	8.1
205.15916	4.3
205.19521	9.8
207.17401	10.9
215.17981	24.5
217.19498	16.7
219.17404	13.6
221.19064	6.0
229.15343	5.6
229.19493	4.5
231.21120	6.5
233.19006	28.4
255.21210	5.3
261.22208	5.7
395.36725	6.3
405.35077	10.1
423.36301	70.2
441.37500	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	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
54.96458	3.2
55.05513	16.7
57.07064	6.3
66.80246	3.4
67.05502	24.4
69.07067	17.3
69.30429	31.0
71.05009	3.7
77.03970	3.9
78.75340	3.0
79.05480	16.4
80.23712	3.5
81.07066	56.1
83.08613	11.6
85.06534	12.3
91.05479	18.2
93.07054	43.5
95.04997	4.6
95.08615	100.0
97.10173	4.2
105.07048	37.5
107.08601	66.2
109.10164	55.6
111.08087	6.6
117.07008	6.8
119.08587	57.2
121.10152	61.1
122.71007	3.4
123.11739	26.9
125.09635	4.7
131.08578	13.1
133.10130	41.0
135.11696	40.5
137.13286	8.2
145.10103	29.2
147.11685	35.6
149.13275	31.9
151.11206	4.0
159.11684	28.6
161.13274	33.7
163.14862	27.0
171.11769	5.2
173.13306	21.1
175.14848	30.2
177.12749	3.2
177.16405	17.0
179.14342	6.1
187.14850	17.0
189.16336	19.4
191.14308	6.7
191.17961	60.4
193.15923	7.7
199.14857	5.7
201.16373	20.9
203.17923	26.7
205.15913	7.1
205.19498	15.5
207.17430	7.8
215.17957	27.5
217.19527	12.4
219.17393	11.4
221.18994	4.3
227.18039	5.1
229.19475	4.7
231.17497	4.3
231.21121	5.4
233.19034	21.2
241.19460	4.3
243.21046	4.1
261.22052	3.6
273.96555	3.9
353.15912	3.1
395.37015	4.4
397.34616	3.6
405.35562	7.2
423.36267	84.3
432.25006	3.3
441.32449	3.8
441.37473	59.9
442.37631	4.3
465.46082	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	441.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.4
57.07067	2.5
65.06324	1.1
67.05508	16.2
69.03416	2.0
69.07077	13.0
71.59155	1.3
79.05502	10.8
81.06644	1.8
81.07063	23.1
83.04956	1.8
83.08620	4.3
85.06536	2.2
91.05467	9.2
93.07059	19.4
95.04950	1.3
95.08046	2.1
95.08615	33.2
97.06545	2.1
97.10169	2.1
99.08079	2.8
105.07031	20.6
107.08603	35.6
109.06530	2.3
109.09461	2.7
109.10167	35.7
109.10915	1.9
111.08083	4.6
111.14006	1.1
115.59733	1.1
117.06993	4.2
119.07788	2.2
119.08587	29.1
121.06498	2.2
121.10161	24.9
123.08051	2.5
123.11729	11.3
125.09626	5.8
129.07033	2.8
131.08580	11.4
133.06465	5.6
133.10141	20.4
135.08080	7.6
135.11691	13.3
137.09546	1.7
137.13240	4.7
139.11266	1.7
143.08553	3.7
145.10124	13.3
147.08044	2.8
147.11687	12.3
149.09622	1.6
149.13251	8.5
151.11197	1.7
153.12698	1.2
156.09329	1.5
157.10127	5.7
159.11720	14.2
161.09578	4.9
161.13260	12.9
162.19943	1.3
163.11140	2.3
163.14825	6.2
165.09058	2.0
167.08611	1.3
171.11732	4.1
173.13278	13.8
175.11214	9.5
175.14792	8.1
177.12788	2.4
177.16373	6.6
183.11780	2.6
185.13257	5.8
187.14861	9.1
189.12694	4.0
189.16400	7.5
191.14247	1.7
191.17928	5.8
197.13266	3.2
199.14799	4.9
201.16396	10.7
203.14311	9.2
203.18007	6.8
205.15884	3.1
205.19586	1.5
211.14708	2.4
213.16492	2.4
215.17996	8.6
217.15875	8.6
217.19447	3.3
219.17538	2.8
227.18031	1.5
229.19525	2.6
231.17468	1.8
233.19057	2.5
240.74640	1.3
243.17525	1.6
243.21097	1.8
245.19022	2.1
255.21115	2.0
280.51968	1.2
291.24384	1.3
297.25858	2.4
310.10709	1.6
315.26935	3.4
355.82950	1.3
423.31506	2.7
423.37027	10.4
441.33521	100.0
442.33871	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	441.373
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
51.95109	1.4
54.85710	1.6
55.05511	12.3
57.07079	6.9
67.05502	25.5
69.07073	19.9
69.38102	14.3
71.56239	1.6
79.05508	16.4
81.07062	56.1
81.79887	1.8
83.08624	9.3
85.06573	9.1
91.05469	10.0
93.07053	34.3
93.86464	1.7
95.08614	100.0
97.06482	1.7
97.10171	5.4
105.07034	29.5
107.08602	45.6
109.06510	2.6
109.10159	49.6
111.08111	5.4
113.09657	2.8
117.07055	3.4
118.07586	1.6
119.08586	36.1
121.10146	45.8
123.08083	3.3
123.11725	24.8
125.09628	2.8
131.08571	7.8
133.10133	25.9
135.08092	3.0
135.11693	32.0
137.13260	32.2
143.08580	4.6
145.10126	21.3
147.11687	20.9
149.09709	1.8
149.13263	21.0
151.11229	2.3
151.14810	2.4
157.10156	4.6
159.11700	22.5
161.09587	2.5
161.13266	22.4
163.11102	2.2
163.14813	19.2
171.11671	4.4
173.13272	16.5
175.13480	2.3
175.14851	23.9
175.93938	1.5
177.16377	11.0
179.14348	3.8
179.18042	3.7
185.13290	5.0
187.14803	12.0
189.16388	13.9
191.14319	6.6
191.17944	30.0
193.15962	4.4
199.14859	4.6
201.16374	13.7
203.14346	4.1
203.17982	14.2
205.15936	2.2
205.19470	8.6
207.17456	4.3
207.44910	1.9
213.16423	3.6
215.17963	18.0
217.19525	8.6
219.17494	5.8
227.17992	4.0
229.19554	6.1
231.17207	2.3
231.21098	5.7
233.19032	11.3
233.22882	1.7
243.17479	3.4
243.21104	5.6
245.19058	6.0
254.26915	1.8
255.21205	2.5
259.24478	2.4
261.22189	2.8
271.24234	4.8
284.80554	1.7
287.23898	2.0
395.36801	12.8
405.35254	7.8
413.37314	3.0
423.36374	44.4
441.32272	2.5
441.37811	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	441.3367
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03939	0.6
55.05516	2.1
55.05742	0.3
57.07072	0.9
57.23372	0.3
65.03931	0.5
67.05514	3.0
69.07071	3.9
69.45979	2.9
69.83432	0.4
79.05498	3.0
81.03432	0.7
81.07056	5.4
83.04981	0.7
83.08615	1.7
85.06544	0.8
91.05485	3.6
93.07048	6.8
95.04971	1.1
95.08607	8.6
97.06535	0.8
97.10168	0.8
99.08115	0.8
105.07043	6.3
107.04984	0.8
107.08596	9.7
107.53362	0.3
109.02910	0.6
109.06500	1.1
109.10167	7.9
111.08079	1.1
113.09727	0.3
117.07026	1.3
119.08584	8.8
119.70715	0.4
121.06504	1.3
121.10148	6.5
121.82771	0.4
123.08076	1.3
123.11705	2.2
125.09673	0.7
129.07019	1.2
131.08549	3.3
133.06496	4.3
133.10132	6.7
135.08061	20.4
135.11682	3.6
137.09619	1.0
137.13245	0.9
142.07811	0.7
143.08540	1.5
144.09410	0.5
145.10139	4.5
147.08063	3.1
147.11702	4.5
149.09624	3.1
149.13266	3.2
151.11215	1.0
155.08545	0.7
156.09344	0.4
157.10167	2.8
158.11003	0.4
159.08080	1.1
159.11682	5.0
161.09627	6.5
161.13261	2.7
163.11234	0.8
163.14851	1.5
165.09113	3.5
165.12735	0.9
169.10114	1.4
171.11705	1.6
172.12454	0.4
173.09616	1.3
173.13281	3.1
175.11192	7.3
175.14828	2.3
177.12805	1.8
177.16368	1.2
181.10118	0.5
183.11713	1.3
185.09605	0.6
185.13280	2.4
186.13954	0.5
187.11229	1.5
187.14857	3.3
189.12753	3.2
189.16428	1.9
191.14322	0.5
191.18044	0.8
193.08574	0.5
195.11697	0.4
197.13335	1.0
199.14816	1.5
201.12798	1.0
201.16428	1.3
203.14333	11.1
203.18030	1.1
205.15880	2.5
211.14746	0.7
213.16454	1.0
215.14464	0.6
215.17961	3.5
217.15892	9.1
217.19226	0.4
219.17464	0.5
225.16216	0.5
227.17996	0.9
233.19102	0.8
239.17856	0.7
251.18033	0.7
253.19637	0.7
255.17331	0.4
257.19189	0.4
265.41458	0.4
269.19049	0.6
271.20587	0.6
313.84818	0.4
365.11731	0.4
380.27316	0.4
387.30582	0.5
395.33261	0.4
398.28171	0.9
405.31418	1.7
423.32373	3.6
441.33649	100.0
442.33917	3.3
454.30603	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	441.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36601	2.3
53.03924	5.0
55.01846	2.9
55.05508	17.1
57.03424	3.4
57.07057	6.4
65.03919	3.7
67.05506	33.8
68.86886	2.3
69.03409	9.1
69.07066	24.0
70.06586	6.5
70.22796	2.5
70.40229	2.2
70.98137	4.2
70.98474	4.9
71.04968	3.8
79.05501	26.7
81.03410	9.8
81.07066	62.6
83.04958	6.2
83.08645	13.4
84.08137	3.3
85.02906	5.7
85.06529	5.5
85.87054	2.3
86.48116	2.4
91.05483	39.5
93.07048	66.9
93.29928	2.5
95.04948	8.9
95.08610	93.8
97.02869	7.2
97.06507	7.5
97.10169	3.9
99.04478	3.9
99.08079	10.3
103.05437	4.6
105.07039	90.8
107.04935	5.8
107.08599	91.3
109.02882	5.9
109.06503	8.9
109.10163	66.3
111.08064	4.4
115.05410	3.0
117.07014	15.6
119.04857	3.5
119.08595	100.0
120.08095	4.6
121.02833	2.2
121.06496	8.0
121.10153	62.7
123.08044	8.9
123.11723	16.8
125.09629	7.3
127.03927	12.3
127.07525	4.4
128.06235	4.1
129.07007	11.4
130.07777	5.3
131.04916	4.6
131.07591	2.8
131.08574	52.8
132.77820	2.7
133.10130	67.6
135.08076	12.2
135.11710	45.2
137.09581	10.3
137.13231	4.4
139.11134	2.8
142.07755	9.4
143.08557	26.6
144.09290	7.0
145.10129	78.4
147.04419	12.3
147.08060	2.9
147.11685	47.4
149.07437	4.2
149.09601	7.6
149.13272	30.0
151.11145	6.2
154.08704	2.9
155.08551	5.0
156.09323	4.4
157.10143	34.6
158.10851	7.3
159.11710	57.3
161.09605	4.5
161.13290	37.4
162.09109	4.5
163.11177	12.3
163.13840	2.2
163.14847	24.6
165.09097	7.4
165.12740	3.9
167.08601	2.8
169.10136	13.3
170.10924	6.4
171.11703	28.0
172.12396	2.8
173.09525	2.6
173.13271	47.5
175.11168	10.3
175.14835	46.3
177.12726	8.0
177.16394	39.4
179.14316	5.1
182.10986	2.2
183.11691	10.8
184.12537	3.5
185.13274	35.5
187.11272	3.5
187.14832	70.7
188.06618	2.6
189.12720	5.2
189.16418	44.8
191.14304	22.5
191.17952	7.0
193.15912	13.2
197.13228	11.4
199.14842	42.4
201.12692	3.4
201.16391	52.9
203.14348	20.6
203.17961	11.3
204.06599	2.3
205.15894	42.1
211.14828	6.8
211.16917	7.0
213.03949	3.5
213.16441	13.1
215.14342	6.0
215.18079	11.3
217.15887	26.6
219.13788	2.7
219.17505	17.9
221.15405	7.0
223.14926	3.6
223.16893	14.7
225.16383	8.4
227.17892	6.2
229.16083	2.8
229.19456	2.7
231.17392	6.4
239.17987	5.0
241.19414	3.2
243.04761	7.3
245.18869	3.2
253.19620	2.6
255.17419	2.3
255.21072	4.0
257.19049	4.2
269.19006	3.2
271.20654	3.6
273.18716	2.7
283.20560	3.0
287.03778	36.9
289.05487	5.6
291.20789	2.3
355.17386	2.7
363.26782	3.0
387.22125	3.4
387.30206	6.8
391.65305	2.4
393.31711	5.3
395.32916	6.2
397.18280	20.3
405.23154	4.9
405.31589	27.7
411.32593	6.0
413.34164	4.9
423.23822	9.4
423.32629	44.3
441.11160	5.1
441.17233	98.4
441.24307	5.1
441.33896	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.05499	11.4
57.07071	3.7
59.52905	2.0
59.98069	2.1
65.98669	1.9
67.05511	18.6
69.03422	3.5
69.07071	16.2
70.83961	5.4
72.35899	2.0
78.82629	2.2
79.05502	22.3
81.07056	30.0
83.04973	2.7
83.08615	5.3
86.46361	2.1
91.05488	28.1
93.07047	52.7
95.04981	4.1
95.08049	4.1
95.08615	54.6
95.36438	2.3
97.06535	3.5
99.08112	15.0
103.01466	2.3
105.07036	65.0
107.04931	2.5
107.08598	77.1
109.06521	4.3
109.10163	31.6
111.08074	5.1
117.07040	11.3
119.08584	71.7
121.06530	5.2
121.10154	34.3
123.08055	3.5
123.11705	12.8
125.09618	2.8
127.07629	2.8
128.06219	4.8
129.07021	8.9
131.08580	41.5
133.10138	46.3
135.08075	11.0
135.11703	21.5
137.09608	4.7
137.13268	3.9
141.06923	2.4
142.07677	2.6
143.08562	22.0
144.09360	4.3
145.10117	45.5
147.08167	3.1
147.11699	65.8
149.09668	5.9
149.13268	15.4
151.11223	3.3
155.08562	6.3
156.09341	4.8
157.10149	26.1
157.11339	3.3
158.10887	3.0
159.11719	46.7
161.09615	6.7
161.13263	24.2
163.11177	5.8
163.14850	10.9
165.09157	5.1
169.10117	10.3
170.10930	4.5
171.11696	17.4
173.11790	2.5
173.13268	45.5
175.11157	4.0
175.14844	20.2
177.12755	3.6
177.16422	7.7
179.14328	3.0
180.35654	2.3
183.11688	14.9
185.13287	23.5
187.14844	39.5
189.12801	5.0
189.16365	14.7
191.14343	11.7
193.15900	3.3
195.11763	2.9
197.13266	12.1
198.13870	2.2
199.14841	24.6
201.12920	2.4
201.16399	41.6
203.14291	15.2
203.18039	8.0
205.15894	13.9
211.14877	7.7
213.16342	15.9
215.14394	4.8
215.17972	7.5
217.15947	7.6
217.19571	2.7
219.17545	3.1
221.15413	9.4
223.16939	3.2
225.16428	5.1
227.17992	5.8
228.09714	2.1
229.15916	4.2
229.19600	3.7
231.17384	4.1
235.16998	5.0
239.18254	3.5
241.19414	2.7
243.17603	5.0
245.19002	2.9
251.17946	5.1
253.19583	8.0
255.17468	2.7
255.21124	3.5
257.18909	3.0
264.00244	2.5
265.19501	3.3
271.20645	4.6
277.19608	3.2
283.20599	11.2
285.22043	4.5
301.21729	20.5
331.24289	2.6
333.26074	2.6
351.26907	8.8
369.27911	25.6
379.29886	3.5
387.30695	3.5
393.31567	2.7
405.31598	21.9
413.57632	2.3
423.32520	38.3
441.33661	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	441.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.3
53.03946	5.0
55.01886	2.0
55.05512	17.4
55.22530	1.4
57.03439	2.6
57.07077	4.4
57.58802	1.6
59.05027	2.0
61.02877	1.9
66.99131	1.5
67.05508	21.9
69.03426	7.1
69.07066	22.5
69.43385	10.9
70.06586	4.7
71.05001	3.0
73.02893	3.1
77.03961	1.5
79.05490	25.3
81.03421	5.9
81.06586	2.2
81.07063	43.5
83.04969	3.4
83.08620	7.0
84.08134	2.6
85.02908	6.4
85.06554	3.9
89.49002	1.7
91.05484	33.8
93.07044	51.9
95.04986	8.1
95.08610	65.1
97.02891	4.9
97.06532	7.8
97.10160	4.3
98.20795	4.1
99.04487	1.9
99.08088	13.3
103.05450	1.9
105.07037	81.6
107.08601	70.8
109.02871	4.1
109.06525	11.3
109.10162	30.5
111.08080	6.2
115.05484	2.6
117.07016	11.2
119.08587	99.4
121.06570	8.8
121.07258	1.7
121.10146	47.0
123.08076	7.0
123.11720	8.8
125.09628	4.8
127.03936	5.3
128.06255	2.6
129.07047	3.8
130.07732	2.4
131.08577	63.1
133.06500	2.8
133.10132	54.4
135.08112	9.8
135.11710	24.2
137.09647	9.2
137.13252	3.0
142.07745	4.8
143.08534	13.9
144.09341	2.9
145.10129	59.9
147.04433	2.6
147.08055	6.9
147.11693	71.0
149.09608	7.1
149.13263	22.2
151.11165	4.2
151.14989	2.0
155.08588	6.4
156.09360	5.5
157.10150	19.6
158.10915	5.8
159.08057	4.3
159.11691	44.4
161.09608	8.9
161.13261	25.8
163.03867	1.7
163.11143	8.3
163.14816	22.3
165.09116	13.5
165.12726	3.0
169.10138	7.6
170.10869	1.9
171.11693	17.1
172.12515	1.7
173.09607	2.8
173.13269	60.5
175.11200	6.3
175.14827	31.6
177.05505	1.9
177.12801	3.6
177.16403	15.1
179.10805	2.6
179.14359	2.9
183.11661	11.0
185.13272	24.3
187.11234	3.9
187.14832	61.3
189.12744	8.1
189.16432	17.4
191.14310	23.8
191.17975	2.6
193.15901	5.4
195.11700	1.9
197.13287	8.0
199.14844	13.5
201.12773	8.4
201.16396	67.5
203.05333	5.7
203.14320	18.9
203.17946	28.1
204.06702	1.9
205.15924	11.0
207.11758	2.9
207.13820	2.7
207.17648	2.1
209.13303	3.5
211.14873	7.1
213.16434	14.0
215.14323	5.0
215.17982	15.2
217.15901	5.4
219.13892	4.5
219.17447	15.5
221.13310	3.0
221.15341	22.5
223.14833	2.0
225.16415	3.1
227.17975	7.2
229.15889	4.2
229.19589	5.4
231.17403	5.0
233.15350	2.9
235.16890	5.0
237.14659	2.6
239.16325	3.0
241.19608	2.5
243.17470	9.8
243.21098	4.2
247.16820	2.5
251.18216	3.5
255.21071	3.9
261.18393	3.0
265.19525	2.8
269.22635	4.1
295.23978	1.8
301.21466	2.1
311.23718	2.2
323.23798	2.9
351.26566	2.2
365.28009	3.0
369.28067	2.8
387.30420	2.7
393.31607	14.6
395.32864	4.2
405.31567	18.4
411.32571	14.1
423.32654	31.6
441.17996	4.2
441.24533	91.5
441.33621	100.0
442.25089	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	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05502	1.8
57.07070	0.8
67.05515	2.7
69.03455	0.5
69.07055	1.7
70.04679	0.5
70.87333	0.5
79.05485	2.2
81.07058	4.2
83.08608	1.4
91.05460	2.4
93.07055	4.7
95.08611	7.4
97.10168	0.6
105.07040	4.3
107.08601	6.9
109.06529	0.8
109.10170	4.7
111.08083	0.7
117.07049	1.0
119.08592	6.9
121.06507	0.7
121.10155	5.5
123.08044	1.1
123.11723	2.2
131.08574	1.9
133.06479	4.7
133.10133	4.9
133.92609	0.4
135.08058	38.8
135.11697	2.9
137.13321	0.9
142.07745	0.7
143.08592	1.0
145.10130	3.2
147.08083	3.8
147.11697	3.4
149.09651	3.6
149.13258	1.8
151.11119	0.6
157.08948	0.5
157.10152	1.8
158.46063	0.6
159.08087	1.1
159.11707	3.8
161.09677	4.2
161.13268	2.2
163.14845	0.9
169.10118	0.9
171.08008	0.5
171.11670	1.2
173.13249	2.1
175.11209	6.0
175.14845	1.4
177.16362	1.1
183.11621	0.8
185.13304	1.4
187.14838	1.9
189.12794	2.2
189.16411	2.0
197.13318	0.8
199.14772	0.8
201.12755	1.1
201.16447	0.8
203.14307	9.1
205.15974	0.7
213.16583	0.6
215.17970	2.0
217.15901	8.1
219.13829	1.1
228.66718	0.5
233.19235	0.6
253.19342	0.7
269.19104	0.8
271.20560	0.6
398.28140	0.8
405.31659	0.8
423.32391	4.0
424.63046	0.5
441.33652	100.0
442.33893	3.4
461.05002	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	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05509	2.1
57.02393	0.8
57.07066	1.7
58.77114	0.7
67.05501	4.5
69.07067	3.0
69.80042	4.2
79.05486	3.1
81.07059	5.6
81.76234	0.7
83.04967	0.8
83.08627	1.8
91.05480	3.9
93.07048	5.5
95.04941	1.0
95.08612	12.9
98.21465	1.4
105.07048	8.1
107.08588	11.0
109.06509	1.2
109.10161	7.5
111.08079	1.3
117.07050	1.8
119.08586	10.9
121.06459	1.2
121.10158	9.1
123.08077	1.5
123.11713	3.0
129.07008	1.1
131.08528	4.3
133.06468	3.9
133.10127	7.7
135.08060	63.2
135.11713	5.8
136.08345	1.1
139.11047	0.9
143.08543	1.9
145.10155	5.5
147.08005	4.5
147.11726	4.0
149.09628	4.5
149.13246	3.0
151.11208	1.7
155.08513	1.0
156.09306	0.9
157.10159	2.5
159.08073	1.8
159.11719	6.6
161.09621	5.9
161.13293	3.5
163.11221	0.9
163.14912	1.7
165.09146	1.5
165.12743	0.9
169.10205	1.0
170.10880	0.7
171.11699	1.8
173.09621	1.7
173.13342	4.2
174.85820	0.8
175.11215	6.1
175.14835	2.5
177.12730	1.2
177.16394	1.9
183.11768	1.4
185.13266	2.8
187.14816	3.4
189.12714	1.8
189.16422	2.9
197.13237	0.7
199.11194	0.9
199.14911	2.4
201.12791	1.5
201.16411	2.0
203.14331	13.3
203.17882	0.6
205.15916	2.6
205.19415	1.0
211.14912	0.9
213.16380	1.0
215.17935	3.1
217.15887	9.1
219.13820	1.4
227.17923	1.4
253.19606	0.9
269.19159	1.4
283.20523	0.8
353.24805	1.3
395.33188	0.7
399.32715	1.1
405.31638	2.5
423.32553	7.4
441.33661	100.0
442.33771	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	441.3367
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
52.31932	1.5
53.06150	1.3
55.05513	3.7
57.07080	1.9
67.05498	7.6
67.71971	1.6
69.07072	5.8
70.49970	5.3
79.05495	6.7
81.07060	9.3
83.08633	4.0
85.06573	1.5
91.05471	8.1
93.07056	8.4
95.08605	16.6
99.08142	2.2
105.07039	13.8
107.08612	17.3
109.06499	2.1
109.10162	10.7
111.08124	3.3
119.08588	18.2
121.10126	10.6
123.08135	2.2
123.11703	4.9
131.08563	8.4
133.06476	2.2
133.10124	14.0
135.08061	34.7
135.11699	6.0
137.13324	1.6
143.08600	5.4
145.10115	12.1
147.08070	2.9
147.11714	8.8
149.09647	4.9
149.13300	5.7
151.11108	1.6
155.08517	2.7
157.10164	6.4
159.11696	8.7
161.09633	4.8
161.13310	6.9
163.14876	4.9
165.09148	1.9
169.10156	2.4
171.11713	6.0
173.13289	7.0
175.11255	4.7
175.14850	4.6
177.16420	2.9
183.11662	7.4
185.13264	3.4
187.11229	2.1
187.14879	7.3
189.12720	2.4
189.16457	6.2
195.43201	1.5
197.13319	3.0
199.14958	4.3
201.12866	2.1
201.16418	5.9
203.14389	9.8
203.18054	3.6
205.15991	3.8
213.16490	4.3
215.17949	10.2
217.15897	6.7
219.17426	1.8
225.16422	2.5
239.18036	2.0
243.21198	1.7
253.19522	4.7
273.18439	2.0
405.31607	7.5
423.32574	10.0
441.33688	100.0
442.34146	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	441.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75337	0.5
53.03952	0.7
55.05505	2.3
57.07069	1.1
65.03919	0.8
65.34853	0.6
67.05506	5.3
69.07068	4.7
70.75323	0.6
70.75653	1.2
79.05495	2.6
81.03440	0.7
81.07061	7.4
83.04993	0.9
83.08603	2.0
85.06567	0.7
91.05472	4.5
93.07055	6.2
95.04976	0.9
95.08602	9.2
97.10136	1.0
105.07037	6.7
107.08596	10.2
109.06503	1.0
109.10161	8.0
111.08092	1.0
115.05360	0.6
117.07004	1.4
119.08585	11.4
121.06484	1.0
121.10152	6.8
123.08042	0.9
123.11697	1.9
128.06209	0.8
129.06998	1.4
131.08589	3.9
133.06499	6.1
133.10127	7.4
135.08055	14.0
135.11665	3.2
135.45212	0.6
137.09601	1.4
137.13235	1.2
141.06978	0.7
143.08574	2.6
144.09314	0.7
145.10126	6.9
147.08061	4.0
147.11725	4.3
149.09653	1.9
149.13283	2.2
151.11211	1.4
155.08554	0.9
156.09283	0.7
157.10150	2.9
159.08080	1.8
159.11711	4.6
161.09592	5.0
161.13240	2.7
162.10115	0.6
163.11266	0.8
163.14836	2.4
165.09099	4.3
169.10132	1.6
171.08167	0.6
171.11708	2.2
173.09650	1.1
173.13289	3.5
175.11183	10.0
175.14822	2.6
177.12740	1.5
177.16411	1.6
183.11700	2.6
185.09593	0.8
185.13260	2.5
187.11266	0.7
187.14857	3.5
189.12703	2.8
189.16484	3.0
191.14386	0.9
197.13373	1.7
199.14865	2.8
201.12741	1.2
201.16357	2.0
203.14331	8.2
203.17963	1.9
205.12366	0.7
205.15927	2.1
211.14888	1.1
213.16399	1.7
213.60724	0.5
215.14182	0.8
215.17902	1.0
217.15910	7.7
219.13858	0.5
219.17493	0.6
227.17963	1.2
231.17302	0.5
239.17996	0.7
253.19385	0.8
269.19125	0.9
271.20529	1.1
353.25119	0.8
358.91748	0.6
369.27869	1.0
398.28195	0.8
405.31900	1.3
423.32489	4.9
441.33661	100.0
442.34030	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	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05502	1.8
67.05504	3.0
69.07063	1.5
69.39846	1.6
69.40262	6.0
79.05499	2.2
81.07062	4.3
83.08600	1.0
91.05480	3.0
93.07062	4.2
95.08613	7.1
98.21555	1.4
105.07034	4.5
107.08616	8.2
108.34425	0.7
109.06528	1.2
109.10167	5.3
111.08047	1.0
117.07056	1.0
119.08591	7.6
121.06472	1.4
121.10153	6.2
123.11662	1.7
131.08559	2.5
133.06477	4.4
133.10138	5.3
135.08067	43.5
135.11737	2.8
145.10130	4.1
147.08047	3.2
147.11693	3.7
149.09651	3.5
149.13266	1.8
151.11197	1.2
157.10136	1.7
159.11678	4.9
161.09607	6.1
161.13263	1.3
163.11143	1.2
163.14920	1.4
164.30510	0.9
171.11758	2.2
173.09705	1.2
173.13260	2.4
175.11177	5.8
175.14865	2.1
177.12823	1.9
177.16440	1.1
185.09550	1.2
185.13213	2.2
187.11057	1.3
187.14828	2.9
189.12770	2.7
189.16362	2.2
197.13313	1.0
199.14983	0.9
201.12778	1.3
203.14342	13.5
205.15887	1.9
215.14421	1.2
215.17964	2.2
217.15863	9.6
235.70468	0.8
269.19055	1.1
335.23715	0.9
353.24811	1.0
398.28152	1.2
405.31625	2.3
423.32742	3.1
441.33667	100.0
442.34030	2.2
455.83804	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	441.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72350	0.4
55.05504	1.5
57.07065	0.9
59.04997	1.0
59.95396	0.5
63.41323	0.4
67.05517	3.1
69.07077	2.8
70.71811	1.4
71.38780	0.4
79.05496	1.8
81.07065	5.0
83.04999	0.5
83.08635	0.7
91.05479	2.5
91.07161	0.4
93.07046	5.4
95.08612	6.1
105.07046	4.4
107.04964	1.0
107.08605	6.8
109.06531	0.6
109.10162	6.6
111.08076	0.7
113.05981	0.4
117.07029	1.1
119.08586	8.7
121.06499	1.2
121.10151	5.5
123.08069	1.0
123.11700	2.7
127.38379	0.4
129.06993	0.9
131.08612	2.4
133.06487	5.9
133.10138	5.8
135.08066	2.6
135.11703	4.7
137.09622	0.6
137.13286	0.7
142.07854	0.4
143.08614	1.1
145.10172	4.1
147.08063	3.3
147.11702	3.4
149.09633	0.9
149.13249	2.0
151.11185	4.5
157.10129	2.2
159.08093	0.7
159.11690	4.0
161.09647	2.9
161.13268	2.3
163.11168	0.9
163.14830	0.9
169.10115	0.5
171.11687	1.7
173.09656	0.6
173.13261	2.5
175.11174	8.2
175.14778	2.2
177.12758	1.9
177.16420	1.2
183.11792	0.6
185.13290	1.2
187.14835	2.2
189.12773	6.0
189.16383	3.3
191.14406	1.1
197.13268	0.5
199.14815	0.9
201.12657	1.0
201.16470	1.1
203.14331	11.6
203.17886	0.8
205.15919	2.0
207.17513	0.7
213.16562	0.9
214.36308	0.4
215.14433	0.5
215.17957	1.3
217.13812	0.6
217.15891	12.6
227.17838	0.6
229.15897	1.4
231.17500	0.7
243.17484	2.2
253.19453	0.7
255.17535	0.8
257.18976	0.7
269.18759	0.6
271.20590	0.8
368.37964	0.4
397.35788	0.5
398.28445	1.2
405.31396	1.4
423.32474	5.4
441.33652	100.0
442.33908	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	441.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.05509	20.5
55.93517	7.8
56.46624	7.4
57.07072	7.6
66.15683	6.2
69.03431	20.3
69.07067	100.0
69.50064	32.7
69.50473	13.4
70.06590	37.1
72.93797	13.4
81.03407	12.2
81.07066	8.6
82.06581	29.5
83.06911	8.4
84.08145	7.3
85.02909	24.5
86.09704	7.8
91.05478	47.5
92.05820	22.0
94.74622	6.2
95.04933	9.1
97.02879	21.4
107.08601	14.5
111.11742	44.8
114.98360	7.1
121.10152	8.6
125.07939	6.4
127.03941	10.1
128.07097	62.8
129.07449	12.8
129.12738	52.3
132.95830	13.8
137.05957	7.5
141.88438	6.7
147.04436	9.1
147.13797	9.4
154.97911	80.8
163.03891	8.4
170.06010	14.3
172.98993	89.3
174.96922	11.6
191.00024	11.2
191.01697	8.5
195.01080	28.1
196.98969	12.1
211.00563	8.1
214.99940	15.4
219.01054	8.5
221.02477	9.1
234.98938	11.9
239.03674	9.1
253.05334	12.2
261.05893	17.3
269.04874	8.5
279.06863	36.0
281.04669	31.7
299.05774	67.7
321.07953	21.4
332.13745	7.8
333.08032	12.2
333.13773	10.3
337.51324	6.7
441.13440	10.1
441.19113	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	441.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01883	2.8
55.05498	6.1
57.03435	3.4
59.04984	1.6
62.59012	1.4
65.03913	2.1
67.05510	9.6
69.03433	33.7
69.07082	8.3
70.90270	3.1
70.90599	1.4
71.04975	3.6
72.13175	1.5
73.02890	1.3
77.19249	1.3
79.05493	8.0
81.03416	23.0
81.07054	15.5
83.04988	1.7
83.08630	4.6
84.08144	2.6
85.02904	13.9
85.06544	2.3
86.09645	1.3
87.00832	5.2
87.63801	1.3
91.05492	9.4
93.07045	18.2
95.04989	3.0
95.08603	19.8
97.02893	9.4
97.06538	2.3
97.10172	1.4
98.88221	1.3
99.04458	7.3
99.08082	6.4
105.01857	3.0
105.07028	14.5
107.07951	2.4
107.08603	23.7
109.02889	16.7
109.06522	7.9
109.10162	22.5
111.08094	6.8
117.07019	3.3
119.08574	21.6
121.10149	14.8
123.08089	4.7
123.11726	8.3
127.03925	17.6
131.08565	9.1
133.10135	21.7
135.08022	2.4
135.11688	17.5
136.07622	1.6
137.09622	97.2
143.08556	5.5
145.04987	5.4
145.10095	9.1
147.08043	1.6
147.11679	18.2
149.09621	1.7
149.13266	3.9
151.11195	3.4
155.08521	2.2
156.09431	1.7
157.10106	8.0
159.08098	1.6
159.11682	9.9
161.09636	1.5
161.13255	4.5
163.11180	2.7
163.14856	2.4
165.09132	25.8
169.10133	2.9
171.11678	5.1
173.13292	8.4
175.14845	23.5
177.16391	5.8
183.11792	3.1
185.13272	6.0
187.14862	7.0
189.16432	1.9
193.15895	100.0
194.16212	2.1
195.11714	2.4
197.13235	3.8
199.14816	4.7
201.12924	1.7
201.16338	2.3
203.14482	3.1
205.12245	2.1
205.15924	5.8
209.13298	2.4
211.14824	2.8
213.16582	5.5
215.14319	1.6
216.82709	1.5
217.15945	2.3
223.14830	1.6
231.04973	14.5
235.16930	1.6
253.19518	2.8
273.19034	2.5
283.20367	2.0
301.21649	5.5
351.26935	3.0
369.28036	8.1
400.70920	1.4
405.31735	4.2
414.26392	1.5
423.32684	10.5
441.16074	2.6
441.21155	8.3
441.34128	21.2
469.43741	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	441.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
53.31525	0.6
55.01876	2.2
55.05514	3.9
55.67590	0.5
57.03444	1.6
57.07079	0.8
59.04996	0.7
61.02922	0.9
67.05512	7.4
69.03436	14.6
69.07085	5.3
71.05002	1.2
71.53038	1.2
79.05490	3.4
80.44794	0.6
81.03430	11.4
81.07067	10.1
83.04984	2.7
83.08621	2.9
84.08134	0.8
85.02921	5.8
85.06545	1.0
87.00832	3.4
91.05493	4.9
93.07059	10.7
95.04995	3.0
95.08617	12.6
97.02901	5.8
97.06555	1.2
97.10155	1.0
99.04475	3.0
99.08118	3.0
105.01848	1.5
105.07038	10.0
107.08606	14.6
109.02889	10.2
109.06525	5.2
109.10170	13.3
111.04462	0.6
111.08095	6.1
114.11951	0.5
114.54278	0.5
117.07018	1.7
119.04867	0.6
119.08591	16.5
121.06481	0.8
121.10169	7.3
123.08073	4.2
123.11783	3.0
125.09632	0.9
125.81200	0.6
127.03938	8.9
127.07565	1.3
129.06963	0.9
131.08568	5.1
133.10133	11.9
135.08073	1.1
135.11703	11.0
137.09630	100.0
138.09958	2.1
143.08521	1.6
144.09412	0.9
145.04977	2.3
145.06468	0.7
145.10136	6.4
147.08070	1.0
147.11703	7.3
149.09676	1.4
149.13281	3.1
151.11189	1.8
157.10138	2.8
158.10881	0.8
159.08109	0.7
159.11713	5.0
161.09683	0.9
161.13277	3.0
163.11200	0.9
163.14847	1.8
165.09169	8.9
169.10110	0.8
171.11685	2.1
173.09706	0.7
173.13248	5.1
175.11226	1.2
175.14854	16.1
177.12836	0.7
177.16400	4.2
183.11661	1.3
185.13290	1.8
187.14841	5.1
189.16423	3.4
191.10683	0.6
191.14343	1.6
193.15903	81.5
194.16231	2.4
197.13278	0.7
199.14821	2.2
201.12674	0.7
201.16396	7.3
203.14365	2.0
203.18028	1.3
205.15787	1.1
209.13373	0.7
213.16412	1.6
215.17976	1.2
217.15950	0.6
219.17458	1.1
221.15337	1.2
226.04965	0.7
227.17879	0.8
231.05060	5.7
249.06195	0.7
340.87268	0.6
369.27972	0.7
393.31366	0.9
405.31485	2.0
423.32663	5.2
441.21326	8.6
441.33926	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	441.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01875	2.0
55.05506	3.8
55.26012	0.6
57.03437	1.8
61.02930	0.6
67.05505	7.6
69.03066	1.0
69.03433	15.1
69.07060	4.9
69.45967	4.2
71.04977	1.3
73.02913	0.9
79.05508	2.7
81.03419	10.4
81.07053	7.5
83.04988	1.3
83.08610	2.6
85.02907	6.8
85.06558	1.2
87.00832	3.4
91.05481	4.4
93.07053	7.8
95.04970	1.9
95.08616	10.1
96.24872	0.5
97.02898	6.1
97.06512	1.6
97.10188	0.8
98.20777	1.0
99.04468	2.9
99.08120	0.6
105.01884	1.3
105.07043	4.7
107.04958	0.7
107.08597	11.0
109.02885	10.1
109.06529	5.6
109.10168	13.3
111.08081	4.9
117.07006	1.1
119.08591	11.5
121.10147	4.0
122.07346	0.7
123.08078	4.6
123.11706	3.0
125.09634	1.3
127.03922	7.3
131.04926	0.8
131.08568	2.7
133.06430	0.6
133.10144	7.9
135.08110	1.1
135.11700	10.3
137.09622	100.0
138.09955	1.4
143.08583	1.0
145.04955	2.9
145.10132	2.4
147.04445	1.3
147.07991	1.1
147.11740	3.5
149.09639	1.2
149.13257	1.5
151.11185	2.4
154.08652	0.7
157.10118	1.2
159.02922	0.6
159.08032	0.7
159.11696	2.4
161.09615	1.1
161.13304	0.9
163.03835	0.6
165.09126	22.5
168.08215	0.5
169.10156	0.9
171.11734	0.7
173.13280	1.6
175.11191	1.0
175.14838	13.1
177.09155	2.3
177.16455	0.9
183.11668	0.8
185.13260	1.6
187.14818	1.1
189.16383	1.4
193.15894	83.9
194.16200	1.4
199.14795	1.2
201.16402	1.0
203.10767	0.5
203.18039	0.6
205.12305	1.9
205.15990	0.7
213.16508	0.6
215.18015	0.8
217.12570	0.7
217.15843	1.1
231.05009	5.6
252.13280	0.5
303.19592	0.8
405.31720	0.7
423.32684	1.0
441.21039	10.4
441.33936	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	441.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.0
55.01868	4.5
55.05504	13.0
56.71483	4.1
56.97350	3.8
57.07057	4.1
61.02913	4.8
67.05512	30.1
68.99794	6.0
69.03429	28.4
69.07068	16.7
70.06584	7.9
71.04981	9.4
71.59209	5.6
79.05495	11.2
81.03422	46.3
81.06709	3.5
81.07070	37.7
83.04979	12.8
83.08617	11.1
84.08138	8.7
84.74310	3.6
85.02900	29.2
85.06541	8.0
87.00832	6.0
91.05479	15.7
93.07052	24.2
93.73917	4.0
95.04984	5.6
95.08612	53.7
97.02887	14.4
99.04444	8.0
99.08109	9.1
105.07031	21.6
107.08591	40.0
109.02885	37.8
109.06530	10.1
109.10160	100.0
117.06998	5.1
119.07162	3.9
119.08591	61.3
121.10143	31.1
123.08066	17.0
123.11730	6.6
127.03922	66.9
129.07054	4.5
130.06538	9.2
131.08574	12.9
133.10146	37.8
135.11697	95.7
136.63370	4.1
137.09622	16.9
139.11259	4.2
140.91187	4.1
145.10132	13.0
147.04449	5.2
147.11679	11.5
149.13255	16.2
150.95979	3.9
151.11198	10.1
151.14778	9.2
157.10164	13.8
157.35713	5.2
159.11685	13.9
163.11269	4.4
163.14752	5.5
165.09090	5.0
167.08420	4.3
171.11722	5.5
173.13237	7.9
175.14821	43.5
177.16422	10.0
185.13342	7.6
187.06056	9.0
187.14816	6.5
189.16342	5.8
191.14397	8.3
193.15884	57.2
197.48302	4.0
199.14658	5.0
201.16335	7.3
203.14365	7.6
205.15909	8.3
211.16925	33.4
213.03958	34.9
213.16603	4.4
231.05064	4.7
234.13385	3.7
245.06488	4.8
259.16858	4.6
287.03683	5.3
289.05280	69.5
301.17987	8.0
397.18323	11.8
423.32666	7.7
441.17010	54.3
441.33456	7.4
442.17419	6.2
445.78534	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	441.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.8
55.01872	13.6
55.05512	19.4
57.03436	12.8
66.40072	4.9
67.05508	37.3
67.94939	4.5
68.99796	8.7
69.03429	53.1
69.07071	35.1
69.39501	42.3
70.06579	10.9
71.04999	18.4
75.12289	4.3
78.40453	4.3
79.05470	23.2
80.57231	3.9
81.03422	63.2
81.07064	46.6
83.04977	13.3
83.08639	9.5
85.02909	59.1
87.00829	19.2
91.05492	28.4
92.40893	4.4
93.07053	54.1
95.05003	25.9
95.08605	71.6
97.02910	31.2
97.06525	5.9
97.10148	8.3
99.04446	26.0
99.08086	14.6
103.03938	5.3
105.01878	11.6
105.07032	55.0
105.07683	6.8
107.08601	63.3
109.02895	43.5
109.06535	44.3
109.10159	52.1
111.04427	5.8
111.08051	6.0
115.03935	8.5
117.07018	9.4
119.08585	76.3
121.06513	13.9
121.10151	70.1
123.04472	5.4
123.08062	13.5
123.11679	21.8
125.02357	6.5
125.09597	5.2
127.03922	100.0
127.05389	4.9
129.06979	9.0
131.08577	25.5
133.10150	63.6
135.08072	12.2
135.11702	54.7
137.06042	5.7
137.09651	8.9
142.07738	7.1
143.03421	14.7
143.08580	11.1
144.09346	6.1
145.06474	5.0
145.10135	42.3
147.04433	7.0
147.11716	30.9
149.09633	13.6
149.13271	17.7
151.07545	6.9
151.11168	26.9
155.08531	7.4
156.09412	9.2
157.10143	15.3
159.02837	6.4
159.08047	6.5
159.11717	26.9
161.04518	5.0
161.09624	16.7
161.13295	18.3
161.22430	5.1
163.11156	7.4
163.14842	11.1
165.09167	16.5
169.10170	7.8
170.10907	4.5
171.11717	18.4
173.09651	5.8
173.13220	26.6
175.11237	16.2
175.14844	44.6
177.12741	8.1
177.16417	45.0
179.10669	7.5
183.11740	9.0
185.09558	6.7
185.13264	11.0
187.11241	7.9
187.14841	24.0
189.16492	10.2
191.14381	16.8
193.15846	29.0
195.27892	4.4
199.11198	4.9
199.14824	16.7
201.12813	4.9
201.16455	21.8
203.14354	17.1
205.15915	21.2
211.14955	4.5
211.16971	11.0
213.03880	23.9
213.13103	4.1
213.16518	7.9
215.14406	6.4
217.15932	19.3
229.15735	8.1
231.05043	14.9
235.16931	17.7
241.16125	5.2
259.16965	11.6
277.18079	14.2
283.17044	10.2
287.03629	15.4
301.18005	11.3
311.86725	4.9
321.34348	4.8
383.17188	4.7
387.17984	5.6
397.18118	6.0
405.18741	7.0
423.20062	13.6
423.32632	10.6
441.16562	29.2
441.33585	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	441.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	3.1
59.62898	2.4
61.01151	8.6
61.02938	2.8
69.03439	5.2
70.06570	2.5
70.54405	7.1
72.04527	12.5
78.03806	17.2
81.03398	2.9
84.08112	2.5
85.02912	11.9
86.06068	3.3
88.02226	7.7
97.02915	6.8
98.06036	2.7
98.97587	6.8
102.03772	33.3
103.02197	6.6
111.05599	3.9
116.98638	4.2
120.04797	5.5
121.02887	4.6
123.05593	4.2
126.54594	2.2
127.03847	2.6
128.98573	3.3
131.06374	15.8
132.04800	13.1
136.06143	2.4
141.06587	7.6
142.08658	4.8
143.00208	2.8
149.07452	100.0
158.99654	4.0
159.07732	5.2
167.19780	3.0
191.08495	6.4
201.00748	2.4
219.01738	5.8
221.02155	2.6
227.08539	2.9
236.30676	2.5
255.03848	3.2
261.12753	16.9
279.03986	3.7
311.12726	52.0
338.94525	2.4
423.18057	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	441.1737
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
55.05492	1.3
69.85672	2.8
69.86073	4.6
70.06588	2.4
72.08184	1.7
81.07076	1.6
86.09659	1.4
91.05470	2.5
91.29156	1.4
93.07022	3.5
100.11237	2.1
101.00924	1.2
107.08603	2.1
119.01944	1.4
133.10156	1.5
147.04451	2.5
161.02985	2.0
193.12041	3.6
201.03751	2.2
203.05406	1.8
217.72807	1.3
220.49765	1.3
243.04781	7.0
245.06346	2.0
271.04276	2.0
280.05243	1.5
287.03751	58.6
289.05338	29.1
355.17404	4.0
379.17401	1.7
397.18378	28.2
423.16147	7.2
441.17352	100.0
442.17630	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	441.1736
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
56.60825	0.6
61.74456	0.6
66.74442	0.6
67.05496	1.6
69.03397	1.2
69.74365	0.6
70.06599	0.9
71.19757	0.5
71.59708	0.7
79.05498	0.8
81.03419	1.0
81.07065	1.2
85.02935	1.1
86.09730	1.3
91.05499	1.5
93.07050	2.9
95.04971	0.6
95.08616	1.0
95.48969	0.6
97.06516	0.7
105.07036	1.6
107.08588	2.6
109.02853	1.0
109.10184	0.9
119.01908	1.0
119.04926	0.7
119.08578	1.2
123.08087	0.7
127.03974	0.8
133.10124	1.3
135.11731	0.7
137.06065	1.0
143.01938	1.7
145.10147	0.8
147.04428	1.7
157.03554	0.8
161.02960	1.3
175.04492	0.9
179.03409	0.7
185.02837	1.0
189.85390	0.7
193.12054	2.4
227.05222	0.7
243.04865	0.9
245.06375	0.9
271.04190	0.9
287.03806	2.6
289.05341	2.4
355.17273	6.5
379.17291	3.5
397.18359	40.3
398.18573	1.2
423.16266	12.1
441.17361	100.0
442.17661	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	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14484	1.4
56.96325	1.7
56.96569	18.1
63.07742	1.0
70.89199	2.1
70.89545	1.7
84.96026	7.9
96.92255	2.0
97.00119	1.1
98.91966	24.5
98.97588	100.0
110.97573	28.7
112.89613	10.7
112.99112	2.4
114.89354	4.7
116.98634	29.7
124.99134	3.4
127.00667	1.4
128.98616	25.2
131.00192	2.0
134.99657	6.1
140.00172	1.5
140.98604	12.0
143.00194	17.9
144.98027	1.4
146.99660	10.0
149.01306	1.2
152.98581	4.9
156.15953	1.2
158.99664	35.7
161.01208	11.4
170.99661	28.8
173.01219	1.5
174.99106	1.6
176.93900	3.1
177.00725	29.1
180.97496	7.4
182.97327	4.6
182.99654	20.4
189.00740	24.5
191.06001	1.3
192.97505	4.2
194.97302	2.3
195.01782	1.9
195.65526	1.1
198.17564	1.1
200.02406	1.2
201.00725	55.9
203.05267	3.8
207.01778	4.0
213.00679	3.6
218.94876	4.3
219.01770	46.9
222.98541	1.6
224.54840	1.1
224.98413	1.4
231.01773	8.0
236.96022	2.2
237.02849	32.0
240.99596	2.1
243.01781	18.0
255.03889	13.3
261.02841	87.4
273.02737	7.6
278.97089	4.9
279.03903	51.9
291.03876	19.6
297.04990	2.5
302.05493	2.5
303.03705	1.7
309.04898	3.1
320.98770	1.4
321.04953	38.3
333.04837	5.0
351.06006	5.6
365.10580	13.4
372.27167	1.2
381.07236	8.1
393.99988	1.3
399.08023	9.3
441.02927	2.0
441.08994	17.8
441.14307	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	439.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.5
57.07069	8.0
67.05516	23.2
69.07066	20.4
69.91462	15.7
70.46338	2.4
71.08628	6.6
79.05496	12.4
81.07067	43.6
83.08620	11.7
89.06024	7.8
91.05486	18.0
93.07050	37.5
95.08620	98.5
97.10171	6.8
105.07030	33.5
107.08601	74.7
109.10172	64.9
119.08588	72.2
121.10148	68.8
123.11716	17.6
131.08566	9.5
133.08609	3.6
133.10146	50.0
135.11707	31.2
137.13261	6.1
143.08635	3.6
145.10144	13.2
147.11694	45.8
149.13263	18.5
153.09143	7.1
159.11685	14.6
161.09598	3.9
161.13258	28.5
163.14851	39.1
167.10736	4.7
173.13326	8.2
175.14847	24.9
175.74678	3.0
177.16417	33.8
187.14877	8.9
189.16396	62.7
191.17958	70.0
193.12421	3.6
201.16412	14.6
203.17976	100.0
205.19481	19.2
213.27443	3.4
215.17973	9.1
216.59813	2.8
217.19579	36.0
221.19023	5.4
229.19630	7.0
231.17523	3.9
231.21126	14.8
235.16884	8.5
245.22716	3.5
247.16974	5.6
249.18561	20.1
269.22684	3.2
297.25745	4.4
303.34357	3.1
329.24823	3.3
343.26337	3.4
393.35040	19.7
421.34409	3.9
422.35696	3.1
439.35941	47.2
440.36389	3.2
444.33200	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05511	8.9
57.07077	8.2
65.03929	1.3
67.05172	1.7
67.05510	25.2
69.07075	18.8
69.97383	3.8
79.05495	7.2
81.07064	78.3
83.08624	11.8
85.10168	1.2
91.05461	4.4
93.07046	11.1
95.08616	100.0
97.10166	3.9
105.07027	10.2
107.08606	14.6
109.10165	41.7
109.45451	1.1
111.11711	1.9
117.07009	2.2
119.08596	9.5
121.10149	9.8
123.11716	38.0
129.06963	2.5
131.08574	8.5
133.08496	1.0
133.10152	8.3
135.11720	8.4
137.13264	59.3
138.13623	1.1
143.08621	5.7
145.10123	8.0
147.11682	4.8
149.13295	5.2
151.14792	3.2
157.10139	4.1
159.11707	6.0
161.13264	4.2
163.07535	1.2
163.14844	2.4
171.11728	6.8
173.13298	6.2
175.14836	4.8
177.16422	2.7
179.17970	10.2
185.13306	6.1
187.14859	6.3
189.16301	3.5
191.17953	3.3
199.14812	7.6
201.16441	7.9
203.17911	3.8
205.19652	1.2
213.16379	13.1
215.17928	10.9
217.12242	1.4
217.19556	1.3
219.13774	1.9
224.16106	1.2
227.17923	3.7
231.17433	1.6
241.19487	8.6
243.21104	8.0
245.15349	2.5
255.21150	5.5
257.22638	2.5
259.16959	8.4
261.18549	1.2
269.22702	6.4
287.20004	3.9
289.21582	1.7
301.21631	1.5
312.01251	1.1
315.23282	1.7
336.55399	1.1
393.35184	21.7
421.34805	1.5
439.35855	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.5
57.07067	2.4
67.05502	10.9
69.07079	14.7
69.51704	10.9
79.05497	7.7
81.07057	24.1
83.08631	7.0
91.05486	9.4
93.07053	18.3
95.08613	40.7
97.10172	4.0
105.07030	23.6
107.08599	37.4
109.09464	2.0
109.10165	31.9
111.11700	2.4
119.08590	44.9
121.10139	25.0
123.11731	13.4
131.08562	5.1
133.10141	36.1
135.11703	19.5
137.13240	5.1
145.10133	6.7
147.11702	31.1
149.13240	13.1
149.53000	1.6
153.09108	6.0
159.11673	3.3
160.12454	1.7
161.13274	15.5
163.14842	12.1
165.09131	1.5
167.10664	2.8
173.13261	4.1
175.14810	12.8
177.16388	8.4
187.14861	3.7
189.16393	43.7
189.18111	2.2
191.17958	75.5
192.18292	1.5
201.16440	10.9
203.17967	100.0
205.19559	11.8
207.17513	1.8
215.17999	3.1
217.19522	14.2
221.18982	7.0
229.19547	2.5
231.17519	4.0
231.21135	4.3
235.16953	5.7
245.22630	3.6
247.16949	5.1
249.18494	21.4
261.18478	2.5
393.35358	7.4
439.35712	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	439.3209
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.03945	1.7
55.05516	9.4
57.03437	2.4
67.05511	15.1
69.03427	3.7
69.07057	10.0
70.72125	3.3
70.72467	3.0
79.05490	16.9
81.03441	2.1
81.07062	31.7
83.08623	4.4
85.06546	1.8
89.54655	1.6
91.05489	19.7
91.71139	1.4
93.07050	29.7
95.04952	4.4
95.08611	37.2
97.06538	6.0
97.10193	1.8
105.07041	30.0
107.04938	1.9
107.08602	48.0
109.06529	4.2
109.10160	24.9
111.08087	6.0
113.73008	1.6
117.07027	8.4
119.08590	37.4
121.06521	6.6
121.10145	21.1
123.08070	5.9
123.11732	8.0
125.09618	5.8
128.06223	2.7
129.07011	4.1
131.08577	17.9
133.06509	5.2
133.10127	29.0
135.08052	40.6
135.11687	13.3
137.09636	4.8
142.07831	3.9
143.00343	1.6
143.08563	8.9
144.09328	2.1
145.06538	3.9
145.10136	26.9
146.07352	1.9
147.08032	15.7
147.11700	15.2
149.09685	8.5
149.13290	6.7
151.11220	4.4
153.09102	2.0
155.08556	4.5
156.09312	2.7
157.10135	16.3
158.10725	2.1
159.08081	17.1
159.11700	19.8
161.09637	37.7
161.13251	10.8
163.03940	4.2
163.11230	2.5
163.14842	5.9
165.12798	1.6
169.10130	6.7
170.10948	2.6
171.08058	5.9
171.11723	10.5
173.09628	12.8
173.13271	16.1
175.11201	13.9
175.14822	10.3
177.12727	2.6
177.16353	2.6
179.14265	1.6
182.10895	2.1
183.11688	5.7
185.09637	6.9
185.13324	9.3
187.11258	10.0
187.14792	12.3
189.12778	9.3
189.16411	4.4
191.14371	6.1
193.10229	2.2
193.12251	5.4
193.15956	3.6
195.11603	2.0
197.13297	5.0
198.10448	1.7
199.11247	5.3
199.14912	6.0
201.12778	9.6
201.16393	7.1
203.14328	92.9
205.15907	3.6
209.13365	2.7
211.11214	2.8
211.14841	4.2
213.12784	6.8
213.16368	7.2
215.14369	6.3
215.17981	3.3
217.15868	23.8
219.13838	8.9
219.17465	2.6
221.15381	2.5
225.12837	2.3
225.16454	4.4
227.14439	3.6
227.18015	3.0
229.15904	9.2
231.17482	5.3
233.19289	2.2
237.16298	1.7
239.18005	1.9
241.15842	2.7
241.19606	1.8
243.17467	8.7
249.16365	2.1
251.18010	2.1
253.19603	3.7
255.17273	3.0
255.21072	2.1
257.19070	3.6
269.19040	3.5
295.20663	1.7
297.22089	4.1
309.22003	2.2
311.23685	1.8
321.21777	2.1
351.23184	3.4
363.26660	2.2
377.48364	1.6
391.30029	2.3
393.31705	3.7
397.31116	2.4
403.29971	9.5
409.31213	2.8
421.31055	41.1
439.08121	3.0
439.32095	100.0
440.32584	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	439.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01865	2.2
55.05518	8.5
57.07072	1.6
57.21070	1.2
65.03922	2.5
67.05222	1.3
67.05511	16.9
69.03423	5.5
69.07064	10.4
69.92600	7.2
71.05000	2.0
78.41052	1.1
79.05503	15.0
81.03411	2.6
81.07062	27.3
83.04984	1.6
83.08611	5.0
91.05483	18.7
93.07054	27.0
95.04959	4.3
95.08615	41.8
97.06545	6.4
97.10217	2.0
98.21441	1.5
99.08105	1.8
105.07037	34.9
107.04966	2.2
107.08600	46.1
109.06503	5.1
109.10164	29.8
111.08076	5.9
115.35331	1.4
117.07027	5.1
119.08591	41.5
121.06523	6.5
121.10155	25.3
123.08083	5.5
123.11687	6.3
125.09644	6.4
128.06210	2.8
129.06995	4.7
130.07837	2.3
130.66266	1.2
131.08578	18.1
133.06503	5.3
133.10135	30.7
135.08063	40.8
135.11668	12.6
137.09607	4.8
141.07016	1.6
142.07782	2.6
143.08568	10.0
145.06433	1.8
145.10129	23.2
146.07317	1.2
147.08055	14.0
147.11708	19.0
148.61176	1.4
148.68272	1.4
149.06001	1.5
149.09605	8.7
149.13260	7.3
151.11203	2.5
153.09129	2.4
155.08549	5.7
156.09238	2.3
157.10138	15.8
158.07249	1.6
159.08087	15.2
159.11703	16.5
161.09648	33.2
161.13249	11.7
163.11168	3.1
163.14857	4.3
165.12804	1.6
169.10178	6.3
170.10846	2.5
171.08061	4.4
171.11726	13.4
172.08826	2.2
173.09642	14.3
173.13252	15.2
174.10187	1.8
175.11234	11.7
175.14810	12.7
177.12782	4.2
177.16397	2.3
179.14343	2.7
181.10118	1.7
183.11667	7.4
185.09673	7.2
185.13290	9.8
186.10371	2.1
187.11205	8.7
187.14819	15.6
188.11900	2.7
189.12791	7.9
189.16368	6.5
191.14291	6.1
193.12253	3.3
193.15874	3.1
195.11768	2.8
195.13445	1.7
197.13307	7.6
199.11168	4.8
199.14896	6.6
201.12798	14.7
201.16455	7.9
203.14333	91.1
204.14635	1.8
205.15843	4.0
209.13281	1.7
211.14856	5.1
213.12784	4.8
213.16426	6.5
215.14430	8.0
215.17897	3.1
217.15887	22.3
219.13777	10.1
219.17395	2.1
221.15262	2.5
223.14880	3.6
225.12822	2.0
225.16513	1.9
227.14423	3.3
227.17934	3.0
228.42476	1.4
229.15846	9.2
231.17430	5.0
233.15407	2.8
233.19049	1.9
237.12827	1.8
237.16492	2.4
239.14391	2.8
239.17894	2.4
241.15872	5.3
243.17432	6.3
251.17958	2.8
253.15930	1.7
253.19617	3.7
255.17491	3.3
257.19012	5.3
267.17529	3.1
267.21057	2.1
269.18982	4.1
271.20578	1.8
283.20700	2.1
293.19138	1.3
295.20523	3.3
297.22156	4.3
309.22141	2.6
311.23486	2.5
313.21539	1.8
321.22232	2.0
333.22180	2.5
334.28751	1.7
339.23425	1.6
351.23209	4.6
363.26944	3.7
391.29929	1.7
393.31644	3.8
397.31052	2.3
403.30130	8.9
409.30884	1.5
421.30975	34.9
439.08200	3.5
439.32071	100.0
440.32443	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	439.3208
Annotation	Salacenonal
Peak:m/z	Relative Intensity
55.05505	9.5
57.07072	3.1
58.28919	1.7
61.67657	1.5
65.03934	1.8
67.05505	13.5
67.30637	1.9
69.03385	2.7
69.07063	5.2
70.21671	6.4
70.22025	3.3
79.05489	12.4
81.07060	23.0
83.04984	6.2
83.08601	5.1
85.20811	2.0
91.05479	14.5
93.07049	24.2
95.04971	3.5
95.08607	34.5
97.06516	2.8
105.07033	31.8
107.07870	2.7
107.08596	43.4
109.06532	5.3
109.10153	22.1
111.08100	4.4
117.07017	4.0
119.08581	32.2
121.06506	5.6
121.10137	24.4
123.08089	3.4
123.11720	6.6
125.09631	5.3
128.06264	2.4
129.07021	3.5
131.08571	11.4
133.10130	26.2
135.08055	34.9
135.11684	9.9
137.09642	2.9
143.08553	8.1
144.09349	2.3
145.06448	2.3
145.10127	18.7
147.08101	9.0
147.11667	12.8
149.06033	3.4
149.09637	8.4
149.13287	5.2
151.11192	5.8
153.09129	2.8
155.08516	2.9
156.09319	3.4
157.10165	11.6
159.08072	4.3
159.11725	17.7
161.09634	17.4
161.13245	10.2
163.11195	2.1
163.14807	5.4
169.10150	4.6
171.11694	9.3
173.09691	4.9
173.13257	15.5
175.11220	5.5
175.14786	10.1
177.12740	3.8
177.16394	7.0
183.11638	8.8
185.09584	2.7
185.13286	7.5
187.11211	3.8
187.14830	12.5
189.12700	6.1
189.16385	6.9
191.14363	5.7
193.12251	5.8
195.11667	2.6
197.13271	5.2
199.11118	2.6
199.14902	5.4
201.12758	8.5
201.16327	8.6
203.14316	44.8
204.14633	2.3
205.15843	4.5
211.14915	3.7
213.12817	3.6
213.16438	5.5
215.14308	7.2
215.17871	3.4
217.15843	12.4
219.13802	32.4
219.17395	2.4
223.14832	2.0
225.12883	2.2
225.16367	3.6
227.17912	2.7
229.15883	3.6
231.17468	5.9
233.15546	2.7
237.16371	2.3
243.17520	5.2
251.18098	2.7
253.19485	3.0
255.21211	2.3
269.19144	2.5
313.18066	2.3
339.23560	2.0
351.23306	3.3
391.29990	3.9
393.31668	6.0
403.29919	10.2
409.30725	3.5
421.31006	35.6
421.36285	3.4
439.32092	100.0
440.32434	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	439.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81424	1.5
53.03947	1.5
55.01884	1.6
55.05518	10.2
57.07072	2.8
65.03928	2.4
65.15881	1.4
67.05510	23.3
69.03422	2.3
69.07064	6.5
69.25522	15.3
71.04994	2.3
79.05498	14.8
81.03413	4.3
81.07066	25.4
83.05002	2.9
83.08609	7.4
85.02930	1.8
91.05491	20.2
93.07050	25.1
95.04983	5.4
95.08614	33.2
97.06527	6.0
97.10183	2.4
99.08100	1.9
105.06373	3.0
105.07040	36.5
107.04965	3.4
107.08603	46.3
109.06528	5.6
109.10161	33.3
111.08090	6.0
117.07005	4.3
119.04853	1.8
119.08588	35.6
121.06523	8.3
121.10156	20.5
123.08072	6.8
123.11704	6.2
125.09629	9.7
128.06242	3.2
129.07048	4.8
131.08578	17.1
133.06480	7.5
133.10144	25.3
135.08064	48.6
135.11697	12.8
137.09628	4.4
141.06912	1.6
142.07823	3.6
143.08571	8.4
145.06491	2.3
145.10133	23.5
146.07249	2.0
147.08057	17.9
147.11696	18.4
149.09666	8.7
149.13260	4.9
151.11206	3.9
153.09061	2.4
155.08536	3.5
156.09358	2.0
157.10127	14.4
159.08076	9.9
159.11694	18.1
160.08884	1.7
161.09625	42.6
161.13243	8.0
163.03926	6.9
163.11172	3.7
163.14915	3.5
165.07756	1.4
165.09137	3.6
169.10159	5.4
171.08092	4.1
171.11749	10.6
173.09602	8.2
173.11877	2.7
173.13260	15.9
174.10191	1.4
175.11214	14.5
175.14847	12.4
177.12750	3.5
179.14388	2.1
183.11742	5.9
184.12508	2.2
185.09644	3.6
185.13266	9.3
185.82495	1.6
187.11230	3.9
187.14821	11.6
188.11960	3.8
189.12784	7.5
189.16379	5.1
191.14323	4.6
193.10034	1.3
193.12254	8.3
193.15932	3.8
195.11737	2.2
197.13289	5.2
199.11226	4.9
199.14851	6.8
201.12782	11.2
201.14360	1.4
201.14674	1.2
201.16331	8.3
203.14333	100.0
204.14609	2.1
205.15857	3.5
209.13414	2.1
211.13242	3.6
211.14958	2.5
213.12946	2.0
213.16336	8.0
215.14363	4.8
215.17947	6.0
217.15901	32.4
219.13857	11.4
219.17522	2.0
221.15474	2.8
223.14960	1.8
225.12645	1.8
227.14279	1.8
227.18010	3.2
229.15926	5.7
231.17422	7.9
233.15379	2.9
235.14861	1.8
237.16336	1.7
241.15877	3.4
241.19554	2.7
243.17494	4.5
247.60326	1.8
255.17447	3.0
257.19022	2.9
267.17487	1.8
269.19046	2.9
279.21066	1.5
283.20728	2.2
291.14786	1.7
297.22101	3.8
369.24475	1.8
391.30023	1.7
393.31332	3.4
397.31161	2.3
403.30029	9.5
409.31067	2.9
421.31024	32.8
439.27060	5.6
439.32095	98.6
440.32278	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	439.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23637	1.8
53.03943	4.4
55.01884	2.6
55.05512	13.8
57.03464	1.9
57.07072	3.3
59.04956	2.0
65.03931	3.3
67.05225	1.9
67.05508	20.2
69.03441	4.4
69.07068	18.0
70.84191	3.9
70.84525	2.3
79.05480	15.9
79.24758	2.0
81.03437	3.0
81.07063	34.9
83.04977	4.8
83.08611	8.8
85.06528	3.1
90.52034	1.9
91.05039	2.2
91.05493	23.6
93.07045	37.8
95.04966	6.9
95.08607	49.8
97.06532	21.7
97.10184	3.7
99.08099	7.5
103.05445	2.8
105.07032	39.6
107.04968	5.4
107.08603	55.9
109.06493	5.9
109.10165	41.9
111.08115	3.5
117.07011	8.4
119.08588	47.4
119.47011	2.2
121.06519	18.0
121.10150	42.1
123.08071	5.1
123.11707	14.1
125.09605	2.5
129.06995	5.3
130.07776	3.6
131.08575	26.1
133.06485	3.7
133.10143	46.8
135.04379	4.8
135.08057	19.2
135.11710	28.6
137.09642	3.0
137.13242	4.5
141.07063	2.3
142.07745	5.1
143.08566	12.8
144.09373	3.1
145.06494	3.6
145.10147	34.8
147.04459	3.1
147.08063	11.3
147.11702	22.6
149.05989	5.7
149.09682	6.2
149.13292	15.5
151.11211	2.4
155.08557	4.3
156.09363	5.6
157.10146	16.5
158.10925	4.0
159.08090	6.8
159.11703	37.8
161.09648	10.1
161.13278	13.4
163.03926	15.9
163.11183	4.6
163.14841	5.7
165.09117	3.0
165.12746	2.3
169.10143	7.5
171.08092	2.7
171.11687	15.7
172.07375	2.3
172.08852	3.6
172.12495	2.6
173.09674	11.2
173.13272	23.7
175.11203	9.5
175.14827	15.4
177.12814	7.0
177.16402	15.5
182.10936	2.5
183.11710	14.4
185.09613	6.3
185.13312	11.1
186.10439	3.8
187.11229	12.1
187.14738	10.9
189.12779	12.8
189.16388	13.7
191.14323	3.4
191.17958	6.7
195.11737	2.5
197.13277	9.5
199.11186	9.3
199.14845	7.2
201.12755	30.2
201.16420	7.8
203.14355	22.7
203.18007	9.5
205.15927	11.9
205.19450	5.7
207.17519	3.2
211.11215	3.1
213.12804	7.6
213.16422	6.4
215.14368	18.7
215.17929	17.7
217.08728	2.9
217.12321	5.5
217.15898	6.3
219.13824	11.9
221.13396	2.8
223.14949	2.5
225.16318	3.6
227.17928	4.2
227.68050	2.3
229.15921	3.3
231.13689	2.5
231.17308	2.8
233.15421	5.7
233.19092	4.1
235.13309	7.4
239.14296	2.3
239.17862	2.5
255.17479	2.7
259.09647	2.9
267.17545	2.8
269.18906	2.9
283.20648	2.9
291.21185	2.1
331.26297	2.3
341.24792	7.8
349.25586	2.7
365.24768	3.7
379.30106	6.8
383.25763	7.9
393.31824	3.6
395.29398	2.5
403.30017	11.2
421.30997	39.4
439.32089	100.0
440.32397	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	439.3208
Annotation	Salacenonal
Peak:m/z	Relative Intensity
54.97126	0.6
55.05499	0.6
57.07068	0.6
58.05374	0.5
67.05501	1.8
69.07068	1.8
70.77238	1.0
70.77580	1.3
75.43771	0.5
79.05486	1.9
81.07055	3.0
83.08636	1.1
91.05473	2.1
93.07059	3.8
95.08620	4.6
99.67207	0.6
105.07024	3.7
107.08612	6.7
109.10147	4.2
117.07041	0.7
119.08600	5.5
120.08956	0.7
121.06530	0.6
121.10141	4.6
123.08039	0.7
123.11724	1.7
131.08577	2.8
133.10136	4.8
135.08066	1.1
135.11693	3.1
137.13399	0.7
138.02219	0.6
143.08560	1.7
145.06494	2.2
145.10135	6.3
147.08078	0.9
147.11682	2.6
147.30969	0.6
149.09639	0.8
149.13283	2.1
151.11279	0.6
155.08543	1.0
156.09328	1.0
157.10124	1.7
158.07281	1.4
159.08073	3.4
159.11716	4.5
161.09654	1.2
161.13268	1.3
163.11169	0.8
163.14792	0.6
169.10088	0.6
171.08032	1.0
171.11722	2.3
172.08919	0.9
173.09610	6.4
173.13367	3.0
175.11217	0.8
175.14865	1.3
177.16379	0.8
182.11020	0.7
183.11749	1.8
185.09595	1.2
185.13313	1.3
186.10451	2.3
187.11205	4.1
187.14853	2.3
197.13278	1.6
199.11221	2.1
199.14799	0.8
201.12769	9.9
203.14360	3.2
209.13211	0.7
213.12639	0.8
215.14319	7.9
215.17911	0.8
269.19055	0.7
396.26566	1.2
421.30975	0.9
439.32089	100.0
440.32391	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	439.3211
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.03947	0.6
55.05504	1.6
57.03428	0.3
57.07067	0.9
65.03935	0.5
67.02800	0.3
67.05512	3.1
69.03397	0.5
69.07076	2.7
71.38789	0.6
72.45530	0.4
73.60995	0.4
79.05484	2.9
81.07066	6.1
83.04984	1.0
83.08615	1.1
85.06550	0.8
91.05478	4.0
93.07057	5.2
95.04977	0.9
95.08611	6.9
97.06505	0.4
97.10179	0.5
105.07030	6.7
106.06554	0.8
106.80239	0.3
107.04956	0.8
107.08599	9.7
109.06536	0.7
109.10167	6.4
111.08091	1.0
117.07030	1.8
119.07793	0.6
119.08598	8.3
121.06486	1.1
121.10152	7.1
123.08083	1.0
123.09168	0.5
123.11702	2.6
124.07558	0.7
125.09631	0.6
129.06995	0.7
130.93585	0.4
131.08569	5.2
133.06468	1.1
133.10144	6.7
135.08073	2.3
135.11723	3.0
137.09581	0.7
142.07794	0.6
143.08566	1.8
144.09265	0.5
145.06493	2.0
145.09035	0.6
145.10126	8.0
147.08084	1.3
147.11711	3.6
149.09630	1.4
149.13281	2.0
151.11180	0.8
155.08592	1.1
156.09291	0.9
157.10130	3.0
158.07280	0.9
159.08067	4.3
159.11688	5.9
160.08810	0.6
161.09650	1.5
161.13306	2.2
163.11163	0.6
163.14807	0.6
165.09081	0.5
169.10112	1.3
170.10815	0.5
171.08061	0.7
171.11684	2.9
172.08836	1.3
172.12511	0.5
173.09648	8.4
173.13248	4.1
174.10176	0.4
175.11191	1.5
175.14854	2.1
177.12788	0.7
177.16331	1.1
181.10156	0.7
183.11703	2.5
185.09641	0.8
185.13309	2.0
186.10396	1.3
187.11203	3.0
187.14836	4.6
189.12732	1.1
189.16388	2.2
191.14368	0.8
191.17856	0.6
195.11768	0.7
197.13376	2.6
199.11131	2.0
199.14871	1.4
200.12080	0.4
201.12746	8.7
201.16391	1.1
203.14342	4.6
203.17993	0.8
205.15887	1.6
211.14803	1.6
212.11806	0.4
213.12766	0.6
213.16437	1.0
215.14360	7.6
215.17889	1.0
217.15892	2.4
219.11784	0.4
219.13864	1.4
219.27803	0.5
223.14838	1.1
225.16429	1.0
227.14365	0.7
227.17978	0.6
229.15839	0.8
231.17354	0.4
237.16461	0.6
241.15834	0.6
251.17978	0.6
253.16022	0.5
255.17514	1.0
265.19528	0.7
269.19052	0.6
283.20367	0.4
395.29440	0.7
396.26566	0.9
403.29889	0.9
421.30392	3.2
439.32056	100.0
440.32413	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	439.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
53.52003	1.6
55.05516	9.7
57.07071	2.8
59.28854	1.6
59.56047	1.6
65.03927	3.0
67.05509	18.8
69.03415	2.5
69.07070	12.7
69.60863	11.6
69.74916	1.6
71.04990	3.3
73.14358	2.1
79.05479	14.3
81.03412	2.4
81.07059	36.5
83.04986	9.7
83.08620	5.9
83.68542	1.8
85.06537	2.2
91.05482	22.7
93.07052	38.1
95.04990	3.9
95.08612	46.2
97.06551	3.4
97.10170	2.1
99.08119	1.8
105.06376	3.3
105.07034	41.2
107.07858	3.6
107.08597	70.0
109.06509	6.9
109.10175	35.4
111.08088	3.6
117.07027	4.6
119.08585	53.9
121.06503	5.9
121.10147	41.5
123.08080	5.6
123.11709	12.2
125.09634	7.8
129.07025	3.2
131.08571	19.7
133.06474	2.7
133.10139	44.0
135.08067	18.8
135.11708	12.7
137.09604	5.7
137.13301	2.3
142.07822	3.6
143.08569	9.0
144.09338	2.9
145.10144	25.6
146.07222	2.7
147.08032	14.9
147.11708	21.0
149.05986	5.9
149.09656	7.7
149.13243	7.8
151.11179	7.3
153.09035	9.1
155.08575	2.9
156.09293	3.4
157.10127	14.7
159.08063	4.9
159.11690	24.6
161.09625	20.8
161.13277	14.9
163.11267	3.5
163.14809	6.5
169.10162	5.0
171.11678	11.2
173.09642	3.6
173.13272	21.9
174.10374	1.9
175.11220	6.8
175.14833	15.3
177.12810	4.5
177.16461	11.1
183.11688	5.7
185.13271	8.1
187.11203	5.8
187.14815	18.2
189.12749	8.5
189.16397	12.8
191.14323	11.7
193.12233	10.2
193.15909	2.6
195.11656	3.5
197.13264	7.8
199.11215	3.2
199.14841	7.6
201.12743	11.4
201.16264	8.9
203.14317	59.8
203.18031	3.7
205.15875	11.1
209.13245	4.0
211.14886	4.5
213.12682	2.1
213.16371	7.1
215.14368	7.0
215.17986	3.6
217.15868	17.8
219.13826	63.7
219.17436	6.1
220.14296	2.0
221.15288	2.5
225.16516	3.2
227.17993	3.3
229.15915	8.2
231.17447	5.3
233.15384	5.9
239.17889	2.7
241.15942	2.6
247.17038	2.5
249.18471	2.8
253.19478	2.1
267.21133	1.7
269.19070	2.9
271.20615	2.4
279.21136	2.2
283.20474	2.7
311.23770	2.5
327.23062	2.4
333.22180	2.2
351.22736	2.2
391.30060	2.0
393.31641	9.5
397.31055	5.2
403.29968	10.3
409.31064	5.7
421.30975	44.3
439.19373	3.3
439.32074	100.0
440.32300	3.8
444.50635	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	439.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.1
57.07065	2.1
67.05515	16.2
69.03442	2.7
69.07076	13.8
69.66645	3.4
69.67051	9.7
72.05693	1.8
79.05504	12.1
81.07066	25.5
83.04976	3.0
83.08618	5.5
89.29338	1.6
91.05483	16.7
93.07051	26.3
95.04974	4.0
95.08612	56.2
97.06541	4.9
98.21445	1.9
105.07033	34.5
107.08601	46.1
109.06523	3.2
109.10155	26.1
109.10841	3.1
111.08080	5.0
115.05494	2.1
117.07011	3.0
119.08593	62.1
119.09471	3.3
121.06507	17.9
121.10152	29.8
123.08115	10.7
123.11710	7.9
125.09689	2.2
129.07018	2.4
131.08588	16.6
133.06497	2.1
133.10150	36.6
135.08078	8.8
135.11725	15.4
137.09665	4.8
137.13269	3.6
142.07861	1.5
143.08568	11.0
145.06551	1.8
145.10139	25.4
146.07205	1.9
147.08052	43.5
147.11702	25.3
149.09641	9.7
149.13258	13.3
151.11137	2.7
153.09140	5.2
155.08524	2.3
156.09378	2.8
157.10088	10.4
159.08101	7.2
159.11720	15.6
160.08818	1.9
161.09619	49.3
161.13275	19.9
162.10266	2.5
163.11206	13.1
163.14844	10.5
165.09157	1.8
167.10753	1.9
171.08139	2.3
171.11728	7.2
173.09647	4.2
173.13292	22.2
174.10417	2.0
175.11197	20.0
175.14851	21.8
176.11868	2.5
177.12767	6.2
177.16402	12.9
183.11562	2.0
185.13324	9.1
187.11234	5.9
187.14830	21.4
189.12761	59.8
189.16374	28.6
190.13539	12.2
191.14348	20.2
191.17938	9.8
193.15895	2.6
197.13304	3.4
199.14839	7.6
201.12764	17.7
201.16350	10.9
203.14349	55.4
203.17967	28.9
205.15898	10.3
205.19597	5.5
213.12726	2.3
213.16359	3.8
215.14326	19.3
215.17831	3.0
217.15932	9.3
217.19508	3.6
219.13788	3.9
219.17484	6.5
219.21111	2.6
225.16422	2.3
227.17891	2.9
229.15892	8.1
231.17393	2.6
233.19254	1.8
235.17003	3.3
243.17467	3.6
245.19017	2.7
247.16998	2.3
249.18510	4.8
255.21281	1.9
269.19162	2.0
269.22845	1.8
279.20920	2.1
283.20520	1.8
297.22192	6.7
342.90314	1.5
359.34125	1.6
375.30347	2.6
393.26865	3.2
393.31586	45.4
394.31845	2.8
403.29614	2.8
421.30951	13.2
439.32074	100.0
440.32309	2.9
463.55225	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	439.3208
Annotation	Salacenonal
Peak:m/z	Relative Intensity
55.05498	8.1
57.07072	3.5
62.50087	1.8
65.03940	2.3
67.05506	17.0
68.33604	1.9
69.03436	1.8
69.07074	11.5
70.41032	6.5
71.08640	2.3
74.17186	1.8
79.05521	12.3
81.03444	1.7
81.07063	25.8
83.04979	6.3
83.08607	5.1
91.05488	13.9
93.07053	29.9
95.04960	6.5
95.08611	36.7
97.06543	4.0
97.10202	2.2
99.08086	5.2
105.07048	30.9
107.08598	54.4
109.06494	4.6
109.10159	33.3
111.08118	3.4
117.07030	5.0
119.08592	35.8
120.24700	1.9
121.06538	6.0
121.10158	36.0
123.08055	4.9
123.11680	9.0
125.09630	3.7
130.50804	1.7
131.04965	1.7
131.08569	17.7
131.87726	2.3
133.06512	3.1
133.10132	31.7
135.08043	20.6
135.11703	32.5
137.09598	6.8
137.13254	3.0
142.07819	3.3
143.08551	8.9
144.09386	1.9
145.10101	24.3
147.08026	11.7
147.11693	19.6
147.13507	2.3
149.05997	2.9
149.09639	6.8
149.13275	7.9
151.11198	4.7
153.09151	2.8
155.08524	5.1
157.10144	15.9
159.08057	6.0
159.11711	19.6
161.09651	15.1
161.13277	12.2
163.07439	2.2
163.11198	4.1
163.14812	8.6
169.10197	2.9
170.10912	2.1
171.11697	11.2
172.12292	2.2
173.09674	3.2
173.13286	18.4
175.11208	5.8
175.14835	11.3
177.12781	5.6
177.16376	9.0
179.17831	2.1
183.11700	5.8
184.12469	2.3
185.13297	8.4
187.11177	3.8
187.14819	16.9
189.12717	8.2
189.16351	10.8
191.14326	6.1
193.12268	9.1
197.13266	5.7
199.11269	3.1
199.14832	7.4
201.12784	7.9
201.16360	8.3
203.12459	2.1
203.14325	35.3
203.17984	3.7
205.15924	5.6
209.13226	2.5
211.14854	4.1
213.16426	7.8
215.14334	7.8
215.17926	3.4
217.15904	15.5
219.13792	28.7
219.17400	3.7
221.15318	2.5
223.14871	2.4
225.16405	4.1
227.17938	5.6
229.15936	5.7
231.17561	3.3
233.15417	3.9
239.17877	2.6
243.17488	3.5
253.19533	2.5
255.17464	3.1
285.18759	2.0
285.22198	3.1
297.22406	2.4
393.31543	13.5
395.32913	3.0
397.31201	5.0
403.29779	9.0
409.30997	4.6
421.31030	27.9
439.32062	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	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60557	1.2
55.05501	5.5
67.05501	10.1
69.07065	3.5
70.01912	6.6
79.05513	8.7
81.07056	18.4
83.08630	1.2
91.05469	11.7
93.07041	14.2
95.04968	1.9
95.08607	27.1
97.06548	1.9
98.21432	1.3
105.07036	22.8
107.08598	37.4
109.06529	3.7
109.10153	18.4
117.07014	5.9
119.08575	22.5
121.06493	3.9
121.10148	15.3
123.08095	4.4
123.11708	4.2
125.09621	4.1
129.07031	3.5
131.08565	11.5
133.06480	4.4
133.10133	18.9
135.08047	17.1
135.11702	4.6
135.77124	1.3
137.09586	2.9
142.07802	2.2
143.08588	5.8
145.06551	1.6
145.10120	13.6
146.07251	2.2
147.08051	17.7
147.11674	10.2
149.09619	5.4
149.13258	3.2
151.11214	3.8
153.09131	1.8
155.08597	1.4
156.09358	2.1
157.10143	7.3
159.08086	4.6
159.11719	12.6
161.09619	37.0
161.13246	8.3
163.14813	3.0
169.10130	3.2
170.10916	1.5
171.11642	6.9
173.09708	2.9
173.13297	12.8
174.10432	1.5
175.11194	8.5
175.14792	9.0
176.82538	1.3
177.16431	2.1
179.14374	1.9
182.47076	1.5
183.11705	2.5
185.13258	4.1
187.14864	6.6
188.11952	3.6
189.12805	5.8
189.16389	3.9
191.14336	5.2
193.12273	2.9
197.13297	2.1
199.11208	1.5
199.14856	4.5
201.12756	5.5
201.16431	4.6
203.14322	100.0
204.14641	2.1
205.15869	3.2
209.13116	1.6
213.16357	7.0
215.14510	2.5
217.15894	39.5
219.08310	1.5
219.13791	11.3
219.17416	2.2
219.59851	1.5
221.15331	3.7
225.16422	1.5
227.17960	2.4
229.15810	2.5
231.17459	6.8
233.15358	1.9
237.16508	1.9
243.17488	3.4
247.16933	1.8
249.18529	2.4
253.15919	1.8
253.19627	1.7
255.17587	1.5
265.97607	1.4
267.21204	1.3
269.19321	1.7
297.22128	4.2
391.29892	1.4
393.31601	5.3
403.30069	4.1
421.31049	15.2
439.32080	44.6
440.32416	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	439.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12793	1.6
55.05526	10.1
55.67916	1.5
67.05507	15.0
69.07059	6.3
70.84293	5.0
79.05499	9.8
81.07067	23.3
81.11383	1.7
83.04984	35.1
83.08608	6.4
89.96507	1.7
91.05491	14.4
93.07057	22.9
95.04974	4.9
95.08610	42.9
96.48313	2.1
97.06537	2.8
97.08501	1.9
99.08073	4.2
105.07032	28.4
107.08605	43.7
108.36944	1.5
109.06484	4.1
109.10159	23.6
111.08095	8.1
117.07021	6.1
119.08592	30.2
121.06512	6.6
121.10155	22.8
123.08072	6.7
123.11732	4.7
125.09630	4.2
129.06995	5.2
131.08592	15.8
133.06468	3.3
133.10152	25.3
135.07095	2.7
135.08049	31.4
135.11694	6.7
137.09645	5.0
139.57626	1.8
142.07872	2.3
143.08556	7.7
144.09354	3.1
145.10124	21.0
147.08098	9.1
147.11685	17.8
149.06024	3.4
149.09641	9.2
149.13246	9.4
151.11205	3.6
153.09132	2.3
155.08507	2.6
156.09412	2.9
157.10101	10.2
159.08084	5.9
159.11716	32.2
161.09627	11.9
161.13234	12.3
163.11169	2.0
163.14877	4.1
165.09090	2.0
169.10170	3.3
171.11719	8.0
173.09654	5.7
173.13242	20.1
175.11272	5.8
175.14830	7.9
177.12794	5.4
177.16402	3.7
183.11670	7.0
185.09668	3.9
185.13277	6.8
187.11162	1.9
187.14839	8.7
189.12747	4.0
189.16417	6.0
191.14336	6.3
193.12248	4.1
197.13290	5.2
199.11223	2.9
199.14827	6.2
201.12756	11.8
201.16493	6.5
203.14328	33.3
203.18138	2.1
205.15919	5.4
211.11156	2.6
211.14792	3.2
213.16548	3.2
215.14342	4.1
215.17981	2.5
217.15881	12.3
219.13828	37.2
219.17288	2.4
221.15419	5.3
223.14975	2.2
225.16393	2.2
227.14386	2.7
227.17975	2.0
229.15912	3.7
231.17508	2.9
233.15465	3.0
235.14325	1.7
241.16049	2.3
241.19492	2.2
243.17502	3.0
255.17365	2.5
267.17813	1.9
269.18979	2.4
293.19009	1.9
339.23199	2.9
339.26901	7.6
363.26892	7.2
381.28046	3.9
393.31485	5.7
397.31281	2.8
403.30026	10.8
421.31030	35.4
439.32092	100.0
440.32379	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	439.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.0
62.71526	2.1
65.03990	2.1
67.05513	14.5
67.70517	2.0
69.07056	8.8
70.92300	5.9
79.05512	10.4
81.07063	29.2
83.04984	46.0
83.05457	3.9
83.08624	4.7
91.05482	18.5
93.07044	25.1
95.04971	7.9
95.08611	43.5
97.06499	2.3
105.07035	44.0
107.05035	2.1
107.08603	56.7
109.06516	4.4
109.10143	21.9
111.08085	6.6
117.07027	6.2
119.04900	3.0
119.08578	34.4
121.06514	8.5
121.10160	20.5
123.08084	6.1
123.11700	6.2
125.09628	3.9
129.06993	2.6
131.08580	18.3
133.10124	29.0
135.08055	27.3
135.11731	10.2
137.09702	2.7
142.07803	4.1
143.08565	9.1
145.10139	28.1
147.08069	9.1
147.11700	25.2
149.05994	4.6
149.09637	5.3
149.13219	11.6
151.11223	3.4
153.09117	3.4
155.08583	4.2
156.09364	4.8
157.10170	14.2
159.08067	5.3
159.11717	30.9
161.09660	9.3
161.13260	16.8
163.14844	5.2
169.10103	6.0
171.11659	9.5
173.09512	3.5
173.13252	24.1
175.11217	5.7
175.14795	10.7
177.12820	3.3
177.16411	7.1
181.10081	2.6
183.11806	3.0
185.09717	2.5
185.13203	10.0
187.14807	12.1
189.12773	6.2
189.16437	7.4
191.14287	6.3
193.12198	3.3
195.11668	3.1
197.13312	7.2
199.11226	3.8
199.14893	8.7
201.12828	8.0
201.16435	9.9
203.14342	37.2
203.17973	2.4
205.15930	5.3
211.14806	3.2
213.12794	3.5
213.16379	6.5
215.14346	5.6
215.17946	3.0
217.15926	12.1
219.13806	47.8
221.13411	2.3
221.15437	5.5
225.16479	4.8
227.18011	3.5
229.16000	4.7
237.16434	3.8
239.17999	2.7
243.17580	3.9
251.17783	2.7
253.15701	2.3
253.19585	2.8
269.19110	4.2
283.20560	3.2
339.26859	10.6
363.26810	6.7
373.81702	2.4
381.27847	7.4
393.31454	4.2
397.31155	4.5
403.29828	6.8
421.31000	32.9
439.32126	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	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.05502	6.6
55.56378	1.4
57.12164	1.4
67.05514	10.8
69.07050	4.7
69.51692	11.3
79.05495	7.4
81.07052	18.1
83.04975	6.2
83.08617	3.6
91.05485	12.8
93.07053	17.4
95.04977	1.9
95.08041	2.5
95.08607	32.0
97.06535	2.8
99.08054	1.7
105.07035	20.8
107.04998	1.6
107.08597	32.0
109.06506	3.6
109.10151	15.8
111.08047	4.7
115.05392	2.0
116.66666	1.4
117.06993	3.5
117.65099	1.7
119.08578	25.0
121.06482	5.0
121.10136	19.2
123.08054	2.0
123.11713	6.0
125.09624	3.4
129.06972	3.2
130.01514	1.6
131.08580	8.4
133.10136	23.5
135.08054	40.2
135.11676	6.7
137.09595	3.9
143.08572	6.0
145.10127	14.4
147.08000	8.1
147.11681	11.5
149.05984	2.3
149.09636	8.0
149.13232	3.6
151.11163	3.3
155.08575	2.0
157.10103	9.9
157.69180	1.8
159.08051	4.1
159.11684	14.3
161.09660	10.5
161.13254	8.1
163.14778	3.2
169.10199	2.4
170.10944	1.9
171.11722	8.5
173.09608	2.9
173.13258	13.1
175.11290	5.4
175.14832	8.0
177.12712	1.9
177.16382	2.4
183.11684	4.2
185.09581	2.7
185.13255	6.6
187.11165	3.4
187.14871	7.1
189.12782	6.9
189.16417	4.9
191.14296	2.4
193.12245	5.1
197.13214	2.4
199.11153	4.0
199.14810	6.7
201.12746	8.6
201.16412	5.3
203.14293	28.0
205.15904	4.4
209.13147	2.2
211.14845	3.1
213.16408	3.8
215.14296	3.6
215.17934	2.3
217.15833	6.8
219.13811	22.8
219.17271	1.8
225.16434	2.1
229.15857	4.8
231.17505	4.5
243.17523	3.7
255.17534	3.5
269.19098	4.2
283.20593	2.0
314.97980	1.8
332.67795	1.6
351.23068	2.0
389.94565	1.5
393.31638	4.0
397.31012	3.8
403.29984	6.9
421.31021	24.7
439.32074	100.0
440.32373	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	439.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04286	1.9
55.05519	13.5
57.03443	4.3
57.07082	86.4
67.05515	5.1
69.03426	8.7
69.07080	18.1
70.06596	3.4
71.10855	3.7
79.05494	3.3
81.03414	2.9
81.07067	48.3
85.02888	8.9
85.06552	23.0
87.00830	2.3
93.07034	3.0
94.77613	2.1
95.08627	23.1
97.02878	2.9
97.10183	15.3
99.04462	2.4
99.08107	49.3
105.01846	3.5
105.07006	2.9
109.02869	2.4
109.10140	3.1
111.11726	5.2
118.21718	2.2
119.04935	4.0
119.08562	3.9
127.03944	5.3
131.08652	2.2
137.13292	26.3
143.08594	2.7
147.04427	15.3
147.90318	2.1
148.04805	5.4
154.08617	3.9
155.14328	100.0
173.13260	3.9
173.13957	2.2
173.15363	21.9
185.13168	2.7
188.09492	2.7
191.14520	3.0
191.16441	59.0
201.10207	6.1
202.11017	2.6
203.11876	4.4
204.10204	4.2
205.10548	3.8
231.11324	41.4
277.11740	2.3
361.96597	2.2
439.15036	14.1
439.24283	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	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25275	1.4
53.03941	2.8
55.01855	2.0
55.05512	2.3
57.03435	3.7
67.05510	15.3
69.03433	26.0
69.07073	13.2
69.71744	10.3
70.06583	4.3
71.05004	3.1
79.05495	4.3
81.03419	15.4
81.07055	9.2
82.49615	1.5
82.81311	1.4
83.04973	3.0
85.02908	13.6
85.06537	1.9
87.00829	2.9
89.37823	1.4
91.05470	2.8
93.07037	5.7
95.08623	8.1
97.02892	9.4
97.93542	1.4
99.04438	4.0
105.01881	2.3
105.07046	5.4
107.08599	10.8
109.02904	10.1
109.06532	1.7
109.10159	9.7
111.04482	1.8
111.08083	6.0
111.56538	1.5
112.07675	1.7
115.03901	2.4
119.08573	5.8
121.06528	1.7
121.10143	8.8
123.08066	5.0
127.03924	12.1
131.08592	7.3
133.10133	10.2
135.08067	15.6
135.11714	2.0
145.04971	2.1
145.10130	2.6
147.11661	3.1
149.09633	17.7
149.13263	3.0
155.14336	1.7
158.10925	3.7
163.03937	2.8
163.14854	3.5
173.13298	15.3
191.14319	100.0
213.12387	1.8
231.04962	7.6
277.08182	4.1
377.98477	1.7
439.19806	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	439.2176
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
67.05515	92.5
69.03440	15.6
69.61585	65.3
73.02907	15.4
75.23660	8.7
85.02932	22.9
85.06582	23.9
97.02907	10.4
109.10158	100.0
115.03916	10.3
121.64574	8.2
127.11196	48.1
157.84064	9.0
221.35123	9.4
231.95032	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	439.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89259	7.8
67.05511	100.0
69.03436	16.2
69.64989	17.6
69.65393	29.2
73.02916	13.0
81.07058	14.0
85.02892	22.2
97.02910	16.6
98.20787	12.6
109.10154	63.8
115.03973	8.3
116.24379	7.3
127.03903	15.4
127.11176	20.6
142.65535	8.0
145.04991	8.2
149.01624	8.3
264.30716	6.8
288.31955	8.5
293.48181	7.7
299.78775	8.0
349.17606	7.2
417.29950	7.6
449.22568	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	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01883	2.4
55.05509	2.7
57.03442	2.1
67.05509	5.3
68.99792	1.0
69.03433	24.4
69.07064	10.4
69.99883	4.3
70.06596	2.8
71.04993	1.9
73.02895	1.4
79.05481	4.8
81.03432	11.7
81.07064	6.7
82.52536	0.8
83.04978	4.6
83.08618	2.5
85.02911	9.1
85.06541	2.1
86.09708	1.4
87.00830	3.9
91.05497	7.7
93.07056	6.7
95.04963	3.8
95.08618	9.1
97.02903	8.9
97.06538	2.0
99.04446	2.4
103.05437	1.0
105.01883	1.5
105.07031	11.7
107.04974	4.1
107.08608	18.9
109.02888	9.4
109.06527	4.1
109.10154	5.0
111.04387	1.1
111.08091	4.2
117.07006	2.3
119.08572	7.9
120.08109	1.0
121.06515	2.7
121.10132	11.5
122.07270	2.6
123.08102	4.8
127.03927	12.1
128.06169	0.9
129.07018	1.5
131.08588	7.8
133.10136	56.2
134.10458	1.2
135.08061	16.8
135.11708	4.3
137.09631	23.4
143.08580	3.5
145.01593	1.0
145.04993	3.2
145.10146	5.8
147.04497	2.0
147.07996	1.1
147.11707	6.5
149.09630	12.6
149.13269	8.0
157.10193	1.5
158.10907	3.3
159.08203	1.5
159.11769	1.5
161.09656	1.2
163.11198	1.3
163.14841	3.3
170.27309	0.9
171.11674	1.3
173.04803	1.4
173.13281	16.1
173.52730	1.0
175.14923	1.6
177.12560	1.2
185.13298	2.0
191.14319	100.0
199.14792	1.2
203.14365	2.7
205.15883	1.1
231.05077	5.8
243.65141	1.0
285.01968	1.5
287.03848	1.1
395.16495	1.5
439.15561	4.4
439.20142	2.7
439.31952	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	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.0
55.01871	12.3
55.05508	14.3
57.03431	7.5
57.07073	7.0
61.02926	5.9
67.05505	10.0
68.99800	9.1
69.03434	47.7
69.07072	8.0
69.44791	20.7
69.45204	6.6
69.96175	2.9
70.06593	14.4
71.05019	7.9
73.02917	5.7
73.06550	8.4
79.05487	10.5
81.03419	53.2
81.07069	26.3
83.04973	5.7
85.02911	78.0
85.06541	6.2
86.09703	4.0
87.00836	38.3
91.05481	23.8
93.07040	19.9
95.04986	8.5
95.08620	36.8
97.02895	35.1
97.06537	9.7
99.04458	16.7
99.08112	3.7
101.06017	8.3
105.01892	20.0
105.07038	86.2
107.08603	32.2
107.59491	4.3
109.02885	35.0
109.10163	4.5
113.09654	4.2
115.03950	7.7
117.01820	5.4
117.07033	12.6
119.08582	84.6
121.02874	7.7
121.10155	7.2
127.03936	53.1
129.01894	7.9
129.07001	11.4
131.08578	80.9
133.10141	39.1
135.08035	6.8
135.11662	6.7
142.07791	4.6
143.08601	17.7
144.09352	6.5
145.04959	20.7
145.06436	3.8
145.10135	35.1
147.03000	4.0
147.04407	8.8
147.08072	6.4
147.11688	17.0
149.09648	7.3
156.09303	10.2
157.10124	19.6
158.10924	11.3
159.02924	18.3
159.08089	3.7
159.11714	27.6
161.09644	6.1
161.13304	25.3
163.14868	10.1
166.28624	3.5
169.10098	4.2
170.10957	3.6
171.11687	16.3
173.13269	97.6
173.15457	4.6
175.14841	100.0
183.11760	4.5
185.09605	3.5
185.13293	18.1
187.14781	6.0
189.12811	6.0
191.14320	54.6
197.13315	7.3
199.14915	6.4
203.14357	11.6
205.15878	4.1
213.03947	5.9
213.16354	3.4
215.14345	6.0
231.05029	10.8
263.14444	4.0
267.16177	4.1
281.15356	5.1
421.18567	7.9
439.19330	9.8
439.32162	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	439.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80811	0.6
53.03940	1.7
53.77065	0.7
55.01866	4.8
55.05522	4.8
57.07072	0.9
65.03942	2.6
67.05514	8.2
69.03430	1.4
69.07073	5.2
70.06591	1.1
77.03954	1.5
79.05502	19.5
80.06244	0.7
81.03434	1.7
81.07065	14.8
83.04981	3.1
83.08605	1.3
88.07619	1.9
89.03941	5.5
91.05487	7.2
93.07055	4.8
95.04973	8.2
95.08605	6.7
97.06533	2.8
102.09232	1.1
103.05439	1.4
104.06255	0.9
105.07034	8.3
107.04968	5.0
107.08612	7.9
109.06561	1.2
109.10172	7.6
111.04459	5.2
111.20345	0.8
115.05449	2.7
117.03384	5.7
117.07009	3.0
119.04933	1.4
119.08578	8.5
121.06522	1.8
121.10163	5.5
121.13971	1.1
123.04420	3.0
123.11724	2.5
128.06215	2.3
129.07034	2.2
131.04938	3.6
131.08549	5.1
132.05762	1.4
133.02837	2.7
133.06497	1.4
133.10120	6.5
134.03638	1.7
135.04424	15.1
135.08046	1.9
135.11707	2.4
137.09651	0.9
139.03908	6.6
141.07004	1.8
142.07803	1.4
143.04889	1.0
143.08586	2.9
144.09232	0.9
145.02866	9.2
145.06490	2.5
145.10092	6.5
147.04427	3.8
147.08038	1.4
147.11722	5.3
149.02412	4.1
149.13257	1.9
149.25938	0.9
151.03943	2.6
151.11171	1.2
152.06244	1.1
153.07024	1.7
154.07668	0.9
157.06480	1.9
157.10152	4.3
159.08096	1.5
159.11751	3.7
160.05226	8.7
161.06010	11.8
161.09627	2.8
161.13307	2.4
163.03922	100.0
164.04236	0.8
165.09209	0.9
167.08578	2.3
169.10207	1.4
170.07349	1.1
171.04445	1.0
171.08075	1.6
171.11751	1.9
173.05998	5.4
173.09676	1.4
173.13255	3.2
175.14912	2.3
177.05455	2.1
177.16394	1.2
179.03406	3.3
181.04982	3.4
181.06409	0.9
184.05264	1.0
185.05881	1.0
185.09622	2.0
185.13313	1.3
187.14850	4.3
189.05486	67.7
189.12646	1.2
189.16426	1.9
189.56477	0.8
190.05748	1.1
191.03404	7.7
191.14311	1.4
191.18097	0.8
193.05003	3.1
194.05351	2.4
195.08047	1.5
199.07515	2.1
199.14952	1.4
201.05540	1.1
201.12837	1.4
201.16486	2.6
202.06313	2.3
202.09897	2.9
203.10709	1.7
203.14369	3.4
203.18044	1.0
204.04153	1.5
205.04964	1.4
205.15903	1.1
213.09109	6.9
213.16315	1.8
215.10478	1.1
215.14314	1.1
215.17986	1.1
217.04991	26.8
217.08527	12.6
217.15759	1.1
219.13910	1.1
225.16336	0.8
227.17859	0.8
228.23227	2.8
229.15894	0.9
229.23476	2.6
231.10179	92.5
232.10539	2.3
235.06033	1.2
237.07571	3.5
238.07916	2.0
241.08650	2.0
247.16873	1.1
259.09677	25.3
277.10709	1.9
371.07785	1.5
403.29745	0.9
421.30737	3.7
438.28717	1.4
439.13907	38.5
439.32889	7.9
440.15530	1.1
455.47266	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	439.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01872	5.0
55.05524	4.7
63.14640	0.7
65.03943	1.9
67.05517	9.8
68.05840	1.0
69.03420	2.3
69.07079	5.9
69.68389	0.8
77.03926	0.9
79.05502	17.0
81.03412	2.1
81.07065	17.9
83.04980	5.3
83.08634	2.3
83.19028	0.8
85.02898	0.9
85.91205	0.9
89.03928	5.1
91.05487	10.6
93.03417	1.3
93.07070	9.2
95.04979	7.8
95.08616	11.4
97.06534	3.2
97.10172	0.9
98.21512	1.8
99.08071	1.2
105.04514	1.1
105.07034	11.3
107.04939	5.1
107.08598	13.1
109.06519	1.7
109.10178	11.9
111.04450	4.7
115.05465	1.9
117.03392	6.1
117.07028	3.1
119.04934	1.4
119.08590	13.2
121.06515	2.0
121.10149	8.7
123.04439	1.9
123.08033	1.5
123.11712	3.5
128.06245	1.8
129.07004	2.3
131.04955	1.8
131.08578	6.5
132.05678	1.2
133.02921	1.0
133.06503	2.9
133.10153	8.9
134.03673	2.0
135.04437	12.3
135.08064	3.2
135.11681	5.2
137.09605	1.6
137.13190	0.8
139.03926	6.6
141.07019	2.0
141.72490	0.9
142.07768	2.3
143.04878	1.0
143.08556	3.4
145.02867	8.6
145.06458	1.3
145.10143	9.0
147.04419	1.6
147.08034	2.3
147.11710	6.2
149.06085	0.9
149.09625	2.2
149.13278	3.8
151.03925	2.1
151.11166	1.8
153.07042	1.8
155.08612	0.9
157.06435	1.2
157.10127	6.2
159.08073	2.6
159.11671	7.6
160.05182	7.0
161.06015	9.8
161.09616	4.4
161.13293	4.4
163.03925	100.0
163.11209	1.4
163.14841	2.5
165.09071	1.6
167.08557	2.2
169.10187	2.3
170.07394	1.4
171.04395	1.0
171.08104	1.1
171.11678	4.0
173.06026	3.8
173.09633	1.4
173.11842	1.7
173.13197	6.2
175.11198	3.6
175.14844	4.8
177.05481	2.3
177.16412	1.6
179.03464	4.3
181.04984	3.5
181.06453	1.2
182.11195	1.0
183.11705	2.4
185.06009	1.6
185.09601	2.5
185.13300	2.2
187.14766	4.4
189.05487	63.1
189.09100	2.0
189.12766	3.0
189.16365	3.7
191.03395	7.7
191.14400	1.9
191.17995	1.4
193.04985	1.7
193.12289	1.6
195.08051	2.9
197.13364	1.7
199.07544	2.0
199.14865	2.3
201.05556	1.1
201.12749	3.6
201.16347	2.5
202.06291	1.0
202.09915	1.8
203.10674	1.0
203.14342	6.0
203.17906	1.9
205.05048	1.2
213.09123	4.1
213.16364	1.3
214.24715	0.9
215.14461	1.2
215.18010	1.5
217.05011	23.4
217.08537	13.3
217.15886	3.3
219.13692	1.3
219.17465	1.0
223.14842	0.9
225.12778	0.9
225.16383	1.1
229.16341	1.1
231.10184	83.6
235.06058	2.4
241.08659	1.8
257.19226	1.1
259.09695	26.1
259.12329	1.9
277.10739	2.3
375.30573	1.1
381.27682	1.5
393.31592	3.8
397.09338	1.1
403.30072	1.5
404.13156	1.1
421.30453	4.0
439.13950	34.9
439.26840	1.3
439.32004	23.5
440.15283	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	438.2391
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
54.79732	0.4
55.05499	0.9
57.07071	0.4
65.03938	0.9
67.05510	0.9
69.07074	0.6
70.06586	1.5
71.04978	0.5
71.58894	0.5
72.08160	5.2
79.05501	1.0
80.05041	0.8
81.03401	0.4
81.07054	2.9
82.06596	2.5
83.08643	0.4
84.08146	1.0
85.02920	0.9
85.06565	0.9
85.50719	0.4
86.09713	0.5
87.00829	0.4
91.05486	8.0
93.07031	0.7
94.06569	2.8
95.08608	1.0
96.23511	0.3
97.02879	1.6
97.06501	0.5
99.08107	0.4
105.07043	0.5
107.08591	1.3
108.08120	1.5
109.02876	0.8
109.10159	0.9
112.11251	2.9
113.92554	0.4
119.04955	19.0
119.08599	0.6
121.10181	0.8
124.07614	1.1
127.03940	1.2
129.09064	0.5
129.13858	1.4
136.07570	1.2
142.08621	3.1
146.16557	1.3
147.04419	100.0
147.11732	0.5
148.04729	1.4
154.07497	0.7
154.08644	7.6
155.10655	0.6
155.11812	1.3
155.14336	0.8
163.03873	0.5
172.14511	0.6
188.09421	0.5
191.16443	0.5
201.10257	0.6
203.11848	2.4
204.10220	44.8
205.10538	1.0
218.11795	4.4
221.12854	0.7
231.08987	0.8
231.11272	7.3
244.06076	0.7
274.19031	0.5
275.17554	3.1
276.09399	0.5
276.12268	2.2
292.20218	10.1
293.20660	0.6
302.74506	0.4
308.81247	0.5
347.07977	0.5
420.22784	0.7
420.27759	0.6
421.21164	1.1
438.23901	55.5
439.09531	0.5
439.14917	2.7
439.24219	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	438.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01871	2.4
55.05503	2.4
57.03440	2.3
59.05003	1.3
61.02940	1.8
64.40549	1.0
67.05501	2.1
69.03426	7.2
69.07066	6.8
70.55499	1.2
70.55828	2.5
71.05000	1.8
71.08637	54.5
73.02898	1.9
79.05482	2.4
81.03425	7.3
81.07040	3.0
83.08590	1.6
85.02913	19.8
87.00829	7.1
91.05468	2.4
93.07062	3.2
95.04935	1.7
95.08597	3.5
97.02916	9.1
98.64014	1.2
99.04440	4.1
99.08100	100.0
105.01867	4.3
105.07021	3.7
107.08569	4.0
108.08955	1.3
109.02892	6.7
109.10152	2.9
111.08137	1.1
117.01941	1.4
119.04954	1.9
119.08590	4.1
121.10121	2.9
127.03920	11.2
129.12756	12.4
131.08566	2.7
133.10124	2.7
134.10516	1.8
145.04985	6.6
145.10136	2.9
146.10406	2.0
147.04410	4.8
147.11711	1.5
148.04755	2.6
155.08545	4.2
155.14281	2.8
157.10144	1.6
159.02916	3.1
159.11774	2.2
161.13254	2.5
163.03928	2.9
169.10179	1.4
171.11760	1.9
173.13158	2.6
173.15396	61.9
185.13211	1.4
204.10115	1.3
231.05057	1.4
247.14865	1.2
302.04684	1.2
329.89813	1.3
369.15146	1.2
419.77069	1.4
420.29691	2.6
438.25079	2.5
438.30823	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	438.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01887	0.4
55.05522	0.4
61.39045	0.3
67.05515	2.6
68.05038	0.8
69.03423	1.8
69.07076	0.7
70.06598	100.0
71.04996	0.4
71.06950	0.5
71.58414	0.4
81.03420	2.3
81.07064	1.3
82.06557	1.6
83.05004	0.6
84.08173	0.5
85.02921	3.3
87.00835	0.4
91.05499	0.6
94.06593	0.6
95.04974	2.3
95.08632	1.1
97.02901	2.7
99.04487	1.1
105.01881	0.8
105.07040	0.6
109.02885	3.3
109.06494	0.5
109.10181	0.5
110.06052	2.5
111.04430	0.4
112.07621	4.9
114.74661	0.3
119.08575	0.4
127.03918	3.1
128.07098	5.5
130.08653	10.2
131.04938	0.6
133.10135	0.6
135.11813	0.4
137.06003	0.4
137.13287	1.1
138.09206	0.4
145.04974	1.7
146.04486	0.5
147.04411	0.4
147.11693	0.5
151.03931	0.9
152.60576	0.3
154.08603	0.8
159.11649	0.5
172.09763	0.4
172.22449	0.3
173.13370	0.4
187.05949	1.9
238.10753	1.8
256.11816	6.9
257.04501	0.7
258.04993	2.1
259.05612	1.8
274.12885	15.1
276.12323	1.6
286.04721	1.8
287.05191	4.0
288.05881	1.2
409.18161	0.4
438.09024	4.7
438.21201	12.7
438.30466	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	438.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45935	0.3
53.03947	1.0
55.01871	0.4
55.05526	0.4
57.03434	0.4
67.05497	1.9
68.05022	1.5
69.03433	2.0
69.07075	0.5
69.51832	0.7
69.52242	1.2
70.06596	100.0
71.04989	0.5
71.06923	0.5
78.62706	0.3
79.05502	0.4
81.03422	2.3
81.07036	0.5
82.06577	2.0
83.04977	0.6
84.08159	0.3
85.02907	2.7
91.05495	0.4
91.44216	0.2
94.06573	0.5
95.04978	1.8
95.08620	0.6
97.02917	2.4
99.04478	0.6
105.07060	0.4
109.02885	3.6
109.10114	0.5
110.06049	3.4
111.04466	0.5
112.07605	4.4
112.08328	0.3
117.07028	0.3
119.08604	0.5
121.10118	0.3
127.03917	3.1
128.07085	7.5
130.08649	10.5
131.04964	0.4
133.10130	0.9
145.04938	1.5
147.04422	1.8
151.03990	0.3
154.08638	0.6
157.29414	0.3
169.04994	0.4
172.09714	1.3
187.06018	1.3
193.58794	0.3
204.10274	0.4
238.10817	2.0
256.11819	7.4
257.04507	0.9
258.05042	2.0
259.05643	1.8
274.12857	15.6
286.04645	2.0
287.05234	4.9
288.05960	1.9
394.81589	0.3
438.09006	5.3
438.21207	13.7
438.30551	0.5
439.21750	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	438.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.6
55.01880	2.3
61.70971	1.9
67.05501	11.6
69.03413	5.0
69.07070	2.6
69.68749	2.1
70.06562	5.5
71.04983	9.2
71.59224	3.5
73.02911	2.4
79.05492	16.0
81.07059	6.3
82.02779	2.1
83.04984	6.0
85.02905	12.4
85.06063	3.8
85.06548	53.7
91.05464	15.3
93.07046	12.8
95.04969	7.0
95.08601	3.0
97.02875	6.4
97.06512	3.7
105.07027	12.4
107.04959	7.3
107.08586	12.9
109.02898	3.3
109.06546	2.6
111.04424	6.9
116.06203	1.9
117.07034	5.4
119.08556	8.9
121.06510	10.4
121.10120	10.9
123.04419	2.5
123.08051	2.7
125.05981	8.2
125.09615	3.8
127.03926	3.9
129.06996	5.9
131.08563	48.0
133.10107	3.3
135.11667	4.5
137.06001	5.3
137.09618	7.6
137.44183	2.5
138.05482	3.4
141.01880	3.6
145.06519	3.4
145.10115	23.9
147.04414	5.7
147.08057	5.4
149.09616	37.8
149.10736	4.0
153.05455	4.1
155.10645	4.5
159.02939	3.3
159.08069	5.7
161.09561	3.8
163.11214	13.8
165.09175	5.8
167.07030	4.5
167.10710	17.2
169.08658	2.4
173.09668	7.8
177.09106	2.4
189.09148	2.7
191.10674	48.9
200.65904	2.1
209.11729	66.8
219.10219	2.5
224.98421	2.3
227.12788	100.0
228.13167	2.6
231.10109	3.0
237.11201	6.0
249.11134	4.0
279.12164	2.5
303.12183	5.9
308.51828	2.3
321.13330	6.4
331.11945	3.3
339.14481	4.1
349.12854	11.9
367.13748	15.5
385.14868	6.5
395.58411	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	437.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05516	9.5
57.07064	4.2
61.21972	1.1
65.03947	1.5
67.05506	10.4
69.07076	12.3
69.84010	6.2
70.44486	1.0
74.46285	1.1
79.05509	9.9
81.06583	1.6
81.07063	23.4
83.08601	7.3
91.05486	11.7
93.07045	20.2
95.08612	47.8
97.10178	3.1
105.07034	30.8
107.08596	37.5
109.10161	20.8
111.08070	1.6
117.07008	5.0
119.08588	74.3
121.10149	30.0
123.11701	10.2
130.07854	1.5
131.08578	16.5
133.10141	46.9
135.08099	1.2
135.11694	13.9
137.13258	3.4
143.08543	5.6
144.09352	2.6
145.10135	37.2
147.11699	31.7
149.13271	8.5
151.14876	1.3
153.09081	4.4
157.10109	6.2
158.10889	2.5
159.11696	43.1
161.13281	20.0
163.14857	6.1
169.10226	1.5
171.11685	5.3
172.12460	2.5
173.13275	16.3
174.14087	1.3
175.14839	16.2
177.16397	19.2
183.11754	1.8
185.13264	3.4
187.14832	28.5
187.16417	1.9
189.16388	98.1
190.16774	1.6
191.18025	7.1
197.13176	1.2
199.14772	5.9
201.16388	39.8
203.17967	43.8
205.15906	4.0
205.19473	2.2
207.17488	1.4
213.16380	8.7
215.17941	16.7
217.19545	3.7
221.15341	2.0
227.17957	3.0
229.19589	4.3
235.16896	2.8
237.58969	1.3
239.17998	1.9
241.19562	3.9
243.21143	3.7
247.16893	4.7
249.18509	3.9
255.21031	1.9
259.17017	3.1
261.18539	2.4
295.24301	2.2
315.17459	1.2
335.27338	1.5
391.33685	8.3
409.34686	2.6
419.33472	1.2
437.34171	100.0
438.34528	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	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09931	1.5
55.05516	13.5
57.07071	4.9
67.05508	19.4
69.07069	20.2
69.31654	1.7
69.95346	6.9
71.08638	2.0
79.05508	11.7
81.07063	55.3
83.08641	8.0
91.05492	11.7
93.07055	25.0
95.08615	96.1
97.10159	3.9
98.20830	2.2
103.21535	1.5
105.07043	25.3
107.08601	36.3
109.10170	38.8
117.07009	6.1
119.08593	47.9
119.09442	2.5
121.10150	25.8
123.11722	21.4
129.06987	3.3
131.08595	14.1
133.10139	23.3
135.11710	17.9
137.13264	14.1
141.06973	2.2
142.07748	2.3
142.10559	1.7
143.08543	8.6
144.09230	1.9
145.10132	40.9
145.11290	2.2
147.11722	24.4
149.13261	12.8
151.14859	11.1
153.09157	1.9
155.08629	3.7
156.09343	2.7
157.10112	10.3
158.10936	2.4
159.11713	17.5
161.13292	18.5
163.14832	16.5
169.10124	7.8
171.11723	16.3
173.13272	18.2
175.14848	28.4
177.16408	10.2
183.11696	6.6
185.13240	8.3
187.14830	10.7
189.16396	26.6
191.17940	15.2
195.11607	1.8
197.13284	7.6
198.14020	2.2
199.14880	8.1
201.16402	30.6
203.17978	23.8
205.19550	2.4
209.13330	2.0
209.15367	2.4
211.14868	4.7
213.16359	12.1
215.17921	13.1
217.19577	8.1
221.15359	4.3
223.14883	2.1
225.16412	4.8
227.17966	6.7
229.19566	4.4
231.17426	3.0
233.15363	1.9
235.17041	2.5
237.16403	2.3
239.15062	1.5
239.15814	1.9
239.17909	12.7
241.19540	28.5
243.21127	10.7
245.15419	4.0
247.16965	8.9
253.19600	6.7
255.21068	7.0
259.16998	5.1
259.20581	3.9
265.19608	3.3
267.21088	9.0
269.22623	4.7
273.18573	3.9
279.20984	3.0
281.22751	2.7
285.18604	14.4
287.20126	7.0
295.24335	6.0
299.20111	7.7
300.89777	1.6
307.24252	3.1
313.21719	4.5
325.21802	1.7
335.27319	6.6
341.24741	2.2
353.24655	3.9
391.33643	36.0
437.34198	100.0
438.34903	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	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.05519	11.0
57.07082	10.2
67.05511	16.6
69.07076	20.2
71.08627	2.7
71.38414	3.3
71.50290	1.4
79.05495	13.4
81.07063	30.4
81.18592	1.3
83.08624	9.4
84.27032	1.3
85.10188	1.6
89.06036	2.6
91.05479	12.7
93.07051	22.4
95.04996	1.6
95.08615	50.3
95.85056	1.3
97.10166	3.4
105.07044	43.5
107.08603	42.3
109.10172	23.7
111.96571	1.4
113.95909	1.3
117.07023	8.5
119.08595	65.5
121.10148	36.2
123.11715	13.2
129.07071	1.5
131.08583	16.2
133.08635	1.8
133.10144	42.9
135.11711	22.3
137.13269	6.3
143.08549	7.5
144.09282	1.9
145.06523	1.4
145.10132	39.9
147.11707	37.3
148.54637	1.3
149.13286	12.3
151.07498	1.5
153.09134	3.3
157.10168	8.0
158.10965	3.4
159.11708	32.8
160.12621	2.0
161.13272	19.9
163.14864	7.5
167.10703	2.4
171.11755	6.9
172.12511	2.0
173.13292	14.0
175.07736	1.3
175.14839	28.2
177.09090	2.6
177.16412	15.5
179.10573	1.4
183.11674	1.6
185.13318	3.6
185.25000	1.2
186.14134	2.1
187.14832	14.1
189.16406	60.9
189.18115	3.2
191.17967	16.4
195.11711	1.8
197.13307	1.8
199.14857	5.9
199.76981	1.3
201.16394	62.1
203.17975	52.1
205.19531	2.1
211.14740	3.1
213.16423	8.0
215.17970	22.5
217.19522	6.6
221.15327	2.4
225.16383	3.0
227.17912	3.2
229.15927	2.3
229.19559	6.1
231.17735	2.0
233.15472	1.6
235.16989	4.0
239.15182	1.4
239.17960	3.8
241.19513	2.8
243.21136	8.3
245.15553	1.6
247.16998	10.7
253.19626	3.0
255.21112	3.9
258.55191	1.5
259.16943	3.1
261.18555	6.3
267.21024	1.5
269.22632	2.5
270.98276	1.3
275.20056	1.7
287.20087	2.3
289.21835	1.6
295.24277	4.7
299.20050	2.2
301.21738	2.4
313.21893	1.7
327.23227	1.9
335.27130	1.5
349.28662	1.9
391.33615	16.6
394.28772	2.0
419.33615	1.8
437.34213	100.0
438.34494	3.2
463.50525	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11385	1.1
53.03926	1.1
55.05497	4.3
64.30612	1.0
65.03934	1.4
65.97762	0.9
66.31226	0.9
67.05508	9.5
68.21091	1.0
69.07056	8.0
69.46870	1.5
69.47282	6.5
79.05492	6.2
81.07059	14.2
81.08857	0.9
83.08623	4.2
91.05476	8.0
93.07038	12.1
95.08605	31.5
97.10165	1.4
98.80787	1.0
105.07029	20.8
107.08593	25.1
109.10160	16.3
113.73579	1.1
117.07024	3.4
119.08585	74.7
120.08859	1.4
121.10134	14.9
123.11715	5.3
123.88464	1.1
130.07799	1.5
131.08607	5.8
133.10138	38.0
135.11710	7.2
137.13277	1.4
143.08525	1.6
144.09360	4.6
145.10127	54.5
147.11685	23.6
149.09619	1.6
149.13278	6.2
153.09155	3.7
157.10146	3.0
158.10907	1.7
159.11693	83.0
161.13264	13.0
163.14841	7.8
165.16367	1.1
167.10730	1.1
171.11725	4.5
173.13274	12.0
175.14818	9.8
177.16383	9.2
179.10811	1.1
185.13277	2.4
187.14825	54.1
188.15201	1.6
189.16383	93.6
190.16733	1.9
191.17912	5.7
199.14824	3.0
201.16400	15.7
203.17961	28.5
205.15840	6.1
205.19556	2.2
207.17500	2.1
213.16386	14.5
215.17955	6.3
217.19614	1.3
219.21147	3.0
221.15308	1.4
227.17987	3.6
229.19542	3.5
231.21182	1.2
235.16986	5.1
241.19324	2.5
249.18536	3.2
253.19653	1.3
391.33566	10.8
409.34705	4.0
410.84589	1.0
437.34232	100.0
438.34628	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	437.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
53.06725	1.4
55.05513	11.9
57.07071	4.6
65.03946	1.5
67.05509	17.3
69.07073	18.3
79.05497	12.4
81.07062	32.2
83.04974	1.2
83.08617	8.0
84.88690	1.4
91.05479	18.0
93.07051	27.0
95.04960	1.6
95.08612	58.7
97.10155	3.3
98.21586	2.4
105.07035	44.1
107.08600	50.5
109.10161	25.9
111.08056	1.5
117.06999	7.9
119.08586	59.0
121.10155	35.5
123.11714	17.2
125.09630	1.4
129.07025	3.3
130.07936	1.5
131.08578	16.5
133.10141	46.6
135.11696	24.3
137.09665	1.4
137.13292	4.1
139.07536	2.0
143.08575	5.1
144.09305	1.8
145.10133	35.9
147.11685	42.9
149.13278	14.1
150.98273	1.3
151.14847	1.9
153.09155	4.8
157.10170	8.3
158.10861	2.0
159.11691	33.9
159.13011	1.8
161.09569	1.4
161.13278	23.7
163.07567	2.4
163.14819	6.2
169.10162	4.1
171.11678	8.7
172.12386	1.8
173.13251	18.1
175.14827	28.0
177.09108	2.1
177.16414	17.9
183.11630	3.2
185.13295	4.7
187.14838	9.8
189.16388	48.2
191.10635	1.4
191.17940	11.7
197.13353	1.6
199.14844	5.5
201.16386	49.8
203.17967	53.3
204.18210	1.5
205.19601	1.4
207.17595	2.0
209.13248	1.8
211.14861	4.4
213.16444	4.9
215.17973	23.0
217.19478	6.5
217.46931	1.4
217.49323	1.4
223.15111	1.6
225.16423	2.9
227.17989	4.3
229.15944	2.9
229.19580	5.2
231.17564	2.0
233.15523	1.4
235.16997	4.2
239.17923	1.9
241.19543	4.7
243.21152	5.4
247.16985	8.6
253.19443	2.7
255.21117	4.5
259.16916	2.8
261.18561	8.7
267.21155	2.7
269.22562	3.7
273.18655	1.7
281.22763	2.7
287.19775	1.6
295.24289	4.2
299.20023	3.8
301.21826	3.5
313.21646	1.9
313.76724	1.4
315.23166	1.7
327.23367	2.2
391.33508	17.2
393.96173	1.5
394.28705	4.3
419.33578	1.3
437.34222	100.0
438.34479	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
53.38213	2.2
55.05512	13.7
57.07068	7.1
62.63599	2.2
67.05513	19.6
69.07072	24.5
76.86234	2.1
79.05488	14.3
81.07064	59.8
83.08616	10.3
91.05479	15.2
93.07058	31.4
95.08612	88.8
97.10184	6.0
98.20773	5.1
105.07035	28.6
107.08600	51.9
109.10165	42.6
116.07728	2.9
117.07016	4.5
119.08590	65.5
121.10142	40.4
123.11706	21.9
129.06947	4.1
131.08589	19.9
133.10133	26.0
135.11682	24.3
137.13272	22.2
143.08585	7.7
145.10126	40.5
147.11688	27.1
148.11832	2.3
149.13261	27.9
151.14871	4.0
153.09100	4.7
157.10081	13.2
159.11693	26.3
161.13345	12.9
163.07562	6.0
163.14856	8.4
169.10181	6.6
171.11693	14.5
173.13284	21.8
175.14920	18.5
177.16396	13.1
179.18079	2.4
180.39333	2.5
183.11687	8.0
185.13202	11.8
187.14810	14.7
189.16353	16.6
191.17955	20.3
193.12392	2.8
197.13332	5.2
199.14867	15.2
201.16379	41.0
201.18011	4.2
203.18054	19.0
205.12186	4.7
205.19629	5.3
211.14853	5.8
213.16379	19.2
215.17967	9.3
217.19527	7.4
219.13829	8.2
219.17215	2.7
225.16393	7.2
227.17982	6.8
229.19456	4.8
231.13840	2.7
233.15483	2.9
239.17966	11.6
241.19504	9.7
243.21225	5.2
245.15463	5.9
247.16965	10.1
253.19623	9.8
257.22772	5.9
259.16928	13.7
267.21198	2.7
269.22583	4.9
271.17017	3.7
273.18423	3.2
285.18570	10.9
287.20163	9.4
295.24255	3.6
299.20068	9.4
313.21533	3.4
319.50272	2.5
327.22766	2.5
374.74808	2.5
391.33560	26.6
419.33154	3.7
437.34167	100.0
438.34558	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	437.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01863	2.9
55.05513	17.4
56.00393	2.6
57.03426	3.2
60.21631	2.5
63.39357	2.4
65.03946	3.1
67.05509	51.6
69.03421	7.2
69.07063	15.9
69.62276	17.8
76.45938	2.6
79.05500	22.0
79.44382	2.6
81.03403	4.0
81.06637	3.8
81.07067	46.8
83.04968	9.6
83.08598	10.7
84.90788	3.0
85.06542	4.2
91.05492	32.9
93.06548	3.7
93.07055	37.2
95.04964	8.7
95.08621	52.2
97.06503	9.9
97.10168	2.6
97.66925	2.4
98.21455	6.4
102.38921	2.8
105.06397	4.1
105.07043	57.8
107.04926	5.2
107.08613	56.5
109.06499	10.2
109.10172	45.5
111.08059	5.7
117.07027	15.9
119.04988	3.0
119.07784	5.1
119.08587	64.3
121.06479	11.8
121.10157	36.6
123.08057	7.9
123.11714	15.2
125.09602	7.4
128.06178	5.1
129.06993	9.3
131.08591	29.9
133.09225	4.1
133.10149	51.6
135.08023	12.5
135.11726	18.1
137.09576	5.1
141.06998	3.3
142.07790	10.1
143.08595	18.5
145.06557	2.9
145.10133	44.1
147.04376	8.5
147.08057	17.4
147.11699	26.9
149.09619	11.0
149.13242	7.6
151.11156	4.9
155.08530	8.6
156.09276	8.7
157.10156	24.6
159.08115	16.0
159.11723	33.7
161.09654	21.3
161.13309	16.2
163.11212	14.8
163.14793	4.8
165.09132	2.7
167.08540	3.6
169.10181	12.9
170.10896	5.9
171.08067	7.3
171.11713	25.1
172.08804	5.2
173.09631	20.3
173.11884	5.5
173.13268	29.4
175.11217	13.2
175.14883	16.6
177.12775	3.9
177.16364	11.8
177.23854	3.2
181.10114	6.6
183.11707	22.4
184.08763	4.5
185.09579	9.1
185.13322	17.1
186.10379	9.5
187.11153	10.3
187.14857	14.7
189.12729	23.0
189.16280	8.0
191.14223	5.3
193.10118	3.4
195.11664	7.1
197.09482	4.0
197.13248	10.7
198.10347	3.9
199.11194	31.4
199.14812	11.1
201.12766	71.4
201.16386	10.4
203.14354	71.6
203.18007	5.4
205.15860	12.1
209.13303	6.6
211.11240	6.6
211.14774	10.0
213.12816	12.8
213.16432	9.4
215.14323	32.0
215.17873	4.2
217.12309	23.5
217.15823	14.4
219.13741	4.7
221.13326	2.9
221.15385	7.3
223.14801	9.5
225.12660	6.2
225.16357	4.4
227.14359	7.6
229.15904	13.9
231.17404	4.8
235.14857	3.4
237.16348	4.6
239.14186	3.5
241.15842	8.0
247.16911	11.6
251.17964	5.3
253.15759	6.0
255.17400	5.7
263.17899	3.9
267.17731	3.6
272.71848	2.9
295.20404	3.3
309.22067	2.9
395.29617	3.3
401.28387	10.8
407.29633	4.5
409.31183	3.9
419.29498	36.4
437.25296	14.3
437.30438	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	437.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.05497	9.3
59.94240	2.2
64.88040	2.5
67.05505	25.9
67.27280	2.7
68.50501	2.2
69.07051	8.2
69.28469	21.3
71.44048	2.6
79.05502	12.8
80.21651	2.4
81.03422	3.8
81.07068	29.0
83.04976	6.6
83.08623	4.0
91.05486	17.7
93.07051	30.5
94.70850	2.2
95.04935	5.1
95.08604	37.5
97.06522	5.7
97.71051	2.4
105.06406	3.1
105.07045	41.6
107.04955	2.8
107.08595	39.2
109.06501	8.2
109.10171	24.7
111.08047	5.8
117.07005	8.0
119.08588	41.2
121.06516	8.0
121.10162	20.9
123.08053	5.8
123.11659	6.9
125.09638	5.1
129.07014	4.4
131.08563	24.5
133.10141	31.4
133.54921	2.3
135.08029	8.8
135.11696	11.4
137.09579	7.0
137.13246	2.6
141.06982	5.9
142.07764	6.7
143.08565	15.6
144.09248	4.2
145.06493	3.0
145.10133	36.5
147.08046	21.7
147.11674	21.3
149.09621	6.6
149.13269	5.8
151.11186	2.6
155.08589	5.7
156.09360	7.6
157.10129	17.4
158.07262	4.5
158.10851	4.5
159.08069	19.7
159.11720	25.6
160.08754	4.8
161.09625	22.7
161.13252	9.3
163.11119	6.1
163.14867	3.6
167.08557	3.8
169.10112	9.5
171.08078	7.5
171.11714	17.2
172.08820	6.4
173.09602	21.0
173.13229	25.6
175.11172	10.7
175.14812	10.1
177.12613	3.3
177.16403	2.6
183.11650	8.6
184.08842	6.4
185.09607	8.9
185.13211	11.6
186.10410	12.7
187.11214	14.7
187.14745	11.2
189.12726	9.3
189.16365	5.6
191.14290	11.0
195.11711	3.6
196.12473	3.1
197.09605	8.0
197.13268	7.9
198.10333	5.7
199.11195	79.1
199.14854	4.0
201.12747	72.2
201.16377	6.9
203.14316	84.8
203.17876	4.3
209.13309	4.7
211.14792	7.0
213.12761	13.8
213.16417	4.5
215.14317	43.7
215.17799	4.1
217.12248	6.5
217.15881	27.1
225.12822	4.2
225.16316	2.7
227.14287	11.4
229.15833	10.8
239.14218	6.0
241.15732	4.1
243.17445	3.2
247.16916	8.6
251.17943	3.0
255.17490	3.5
265.15710	3.3
267.17444	3.5
269.18976	4.2
306.19357	2.7
391.29932	4.9
401.28244	5.0
407.29456	5.1
419.29211	15.4
437.25601	4.7
437.30438	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	437.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05349	1.0
53.03941	1.7
53.29724	1.2
55.01852	1.7
55.05518	10.3
57.07072	2.0
59.56385	1.1
65.03944	2.0
67.05512	16.8
69.03426	4.9
69.07069	10.6
69.94454	2.7
69.94842	2.8
71.04982	1.5
73.06602	1.2
79.05501	15.4
80.27949	1.0
81.07066	23.6
83.04980	3.6
83.08629	6.0
91.05492	23.4
93.07051	33.6
95.04964	7.6
95.08617	42.9
97.06535	9.4
97.10170	1.8
98.21426	1.7
99.04433	2.4
99.07481	1.5
99.08106	19.9
105.07040	40.8
107.04943	1.9
107.08607	40.1
109.06529	10.9
109.10162	20.3
109.10836	2.0
111.04366	1.3
111.08090	64.3
111.76351	1.0
115.05484	1.8
117.07030	11.5
119.04910	1.7
119.08591	47.9
119.49660	1.2
119.98492	1.0
120.08904	1.5
121.06522	10.2
121.09308	1.9
121.10157	28.1
123.08081	13.0
123.11716	5.1
125.09625	4.6
127.07627	1.6
128.06204	3.5
129.07028	10.1
130.07796	2.8
131.08592	29.0
133.06528	3.2
133.10139	32.5
135.08096	13.8
135.11682	8.1
137.09633	15.8
137.13228	1.3
141.07014	2.5
142.07767	7.9
143.08582	23.4
144.09351	4.4
145.06461	2.1
145.10143	40.2
147.04440	5.6
147.08060	10.8
147.11700	19.1
149.09641	8.7
149.13264	4.6
151.11194	2.7
155.08574	8.5
156.09358	7.3
157.09088	0.6
157.10141	28.1
158.10880	4.5
159.08060	6.2
159.11708	35.6
161.09633	12.4
161.13293	12.8
163.11232	7.7
163.14851	3.1
165.12764	2.9
167.08575	2.8
168.09378	2.3
169.10136	13.9
170.10916	5.1
171.07986	2.2
171.11697	26.9
172.08813	1.9
172.12399	1.3
173.09677	9.7
173.13274	31.0
174.10403	1.5
175.11201	8.7
175.14868	12.8
177.12755	3.2
177.16422	1.8
179.08553	2.8
181.10150	7.1
182.10983	3.4
183.11711	17.5
184.12489	1.5
185.09615	4.6
185.13272	25.1
186.10452	1.9
187.11215	8.0
187.14780	11.8
189.12730	13.1
189.16402	4.1
191.14293	6.4
193.10139	4.1
193.12202	1.6
194.10936	3.1
195.11703	8.8
196.12474	3.4
197.09558	1.6
197.13290	12.9
198.10449	2.1
199.11223	7.4
199.13097	1.5
199.14835	14.5
201.12769	17.8
201.16434	6.1
203.14340	22.7
203.17992	1.8
205.10130	1.2
205.15848	2.2
207.11754	4.8
208.12535	2.2
209.13292	8.4
211.11293	2.7
211.14861	16.3
212.11685	1.0
212.15318	1.5
213.12724	5.7
213.16415	6.3
215.14362	12.5
215.17946	2.0
217.15944	8.8
219.11821	1.9
219.13828	5.9
219.17509	1.1
221.13263	4.3
221.15422	6.5
222.14125	2.1
223.14784	7.3
225.12833	1.8
225.16449	7.5
227.14304	4.1
227.17995	3.6
229.15881	8.1
231.17487	3.8
233.13240	2.7
233.15410	1.3
235.11096	1.4
235.14867	3.2
236.15482	1.1
237.16377	6.0
239.14302	2.7
239.17931	3.5
241.15894	3.0
241.19627	1.8
243.17401	3.1
245.13313	1.2
245.15498	1.8
245.18959	1.7
247.14778	1.6
247.16994	2.9
248.15726	1.7
249.12895	1.5
249.16385	4.5
251.17944	7.6
253.15749	2.7
253.19496	2.7
255.17384	2.9
257.19101	2.9
259.17142	1.7
261.16400	2.5
263.17993	4.3
265.16388	1.2
265.19284	5.3
267.17444	3.9
267.20544	1.2
269.19086	6.9
271.20724	3.5
275.17642	2.2
275.20215	1.9
277.19553	1.4
279.17474	2.0
281.19031	6.7
283.20532	6.1
289.19467	1.6
293.18997	1.6
293.22391	1.5
295.20746	2.3
297.22092	1.2
299.20242	2.0
307.20462	1.6
309.22205	1.9
323.23785	1.7
331.20496	1.2
333.22113	2.0
335.23685	3.8
347.23712	2.1
349.21585	1.5
361.25293	2.5
365.24811	2.6
367.22794	1.4
371.27316	1.2
377.28268	1.6
379.06168	1.5
379.26273	2.7
389.28571	7.7
391.29889	3.7
401.28360	13.5
401.67422	1.3
407.29562	13.3
409.31161	2.0
419.29468	39.4
420.30121	1.8
437.30515	100.0
438.31006	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	437.3053
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
52.53504	1.1
53.03944	1.5
55.01876	1.4
55.05517	9.4
57.07064	1.4
65.00103	1.3
67.05513	12.9
69.03428	4.0
69.07066	9.0
69.28830	1.3
69.29123	13.2
71.04990	4.7
71.42995	1.2
79.05505	12.4
81.07064	22.3
83.04987	2.7
83.08620	3.6
83.54227	1.1
85.02879	2.7
85.06596	1.9
91.05491	19.3
93.07055	25.2
94.63708	1.2
95.04965	4.4
95.08617	33.6
96.24973	1.1
96.80192	1.2
97.06540	9.5
99.04467	20.2
99.08082	5.0
105.06386	2.5
105.07043	37.3
107.08612	41.2
109.02872	1.3
109.06526	5.1
109.10153	16.1
111.08089	4.2
117.06990	7.3
119.08595	43.8
121.06533	7.8
121.10152	20.1
123.08085	4.2
123.11707	7.7
125.09641	9.9
128.06219	1.4
129.07036	4.0
131.08575	26.6
133.06490	3.6
133.09105	2.0
133.10126	30.3
133.11075	2.5
135.08052	6.5
135.11714	6.6
137.09621	3.9
142.07802	3.7
143.08588	14.9
144.09346	3.6
145.06432	1.5
145.10138	39.6
147.04449	2.3
147.08058	5.7
147.11713	14.6
149.05954	1.6
149.09607	3.6
149.13260	4.5
151.11226	2.3
153.09145	1.6
155.08553	5.1
156.09340	4.8
157.10159	16.7
158.10941	4.0
159.08063	7.8
159.11717	30.0
161.09651	5.9
161.13293	13.0
163.07527	2.4
163.11240	3.5
163.14842	3.5
165.12729	1.2
167.08542	1.5
167.10649	1.6
168.09477	1.5
169.10188	7.2
170.10909	2.3
171.08138	1.7
171.11694	16.9
172.12502	1.8
173.09642	6.3
173.13284	24.2
175.11235	8.7
175.14886	9.9
177.12811	5.0
177.16400	3.6
181.10120	2.6
182.10890	1.5
183.08104	1.7
183.11703	8.2
184.08813	4.2
185.09627	3.1
185.13245	13.4
186.10370	1.8
187.11234	5.6
187.14848	23.0
188.15089	1.5
189.09155	1.8
189.12741	6.5
189.16335	7.9
191.14314	7.7
195.11696	4.1
197.09578	1.4
197.13295	5.9
199.11201	17.7
199.14828	12.0
201.12773	24.6
201.16324	9.7
201.97174	1.4
203.14320	10.9
203.18117	1.9
205.12230	2.4
205.15874	7.5
209.09637	1.3
209.13310	3.1
211.14920	3.6
213.12732	3.2
213.16420	5.5
215.14340	38.8
215.17850	2.5
217.12271	2.8
217.15916	7.9
219.13792	8.4
219.17378	2.7
221.15401	1.5
223.14876	3.4
225.12659	1.9
225.16373	2.4
227.14307	2.4
227.17999	1.5
229.15919	3.3
231.13875	5.1
231.17503	2.9
233.15428	3.0
235.15021	1.9
237.16443	2.3
239.14474	2.0
239.17914	3.8
241.15945	2.1
241.19495	2.3
245.15503	2.1
247.17050	1.5
251.18024	3.9
253.19478	2.0
255.17493	1.8
259.17023	3.1
267.21213	1.6
269.18896	1.4
271.16925	1.8
275.19727	1.4
277.19644	2.0
283.20303	1.6
285.18469	1.3
313.21774	2.1
321.22165	1.9
327.23380	1.4
349.21863	1.7
373.28897	2.9
391.30057	10.6
393.31631	3.6
395.29611	1.5
401.28525	5.7
407.29404	2.9
409.31039	15.1
419.29422	25.5
437.30557	100.0
438.31094	3.1
461.90640	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	437.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.7
55.05516	13.2
57.03424	2.3
57.07062	3.8
59.41395	1.4
61.86998	1.4
65.03941	3.3
67.05502	19.5
69.02251	1.5
69.03421	5.5
69.07059	11.0
69.60412	8.5
71.04979	2.0
79.05489	17.6
81.03435	1.9
81.07055	38.6
83.04991	8.5
83.08615	6.2
85.02917	1.7
85.06525	2.4
85.65057	1.5
91.05482	27.6
93.07050	36.1
95.04964	7.5
95.08611	39.7
97.02874	1.6
97.05922	1.8
97.06537	36.9
97.10142	2.5
99.08105	11.6
103.05487	2.7
105.07034	53.7
107.04950	4.4
107.07857	3.0
107.08595	57.7
109.02880	2.3
109.06540	8.6
109.10151	28.6
111.08074	8.3
115.05501	2.3
117.07008	11.5
119.08588	62.6
119.09458	3.0
121.06556	8.8
121.09303	3.3
121.10141	40.2
123.08080	7.2
123.11707	11.3
125.09631	13.5
127.03925	2.8
128.06218	4.7
129.06979	7.8
130.07768	3.3
131.08571	27.9
133.06467	6.8
133.09117	2.1
133.10132	39.5
135.08064	13.2
135.11716	13.8
137.09612	8.5
137.13277	2.7
141.07059	3.1
142.07784	10.2
143.08571	18.7
144.09355	5.2
145.06499	4.5
145.09023	3.4
145.10127	45.6
147.04390	6.6
147.08070	12.2
147.11687	20.1
149.09593	8.4
149.13237	8.9
151.11194	5.4
155.08557	6.6
155.14255	1.7
156.09369	6.4
157.10127	26.5
158.07394	2.2
158.10899	4.0
159.08086	13.6
159.11696	34.9
161.09627	14.4
161.13272	14.8
163.07549	2.2
163.11200	3.6
163.14795	3.8
165.12711	2.5
167.10626	3.4
169.10178	12.2
170.10944	3.1
171.08047	4.9
171.11693	23.4
172.08836	5.4
172.12463	2.3
173.09633	18.1
173.13252	27.0
174.10350	2.1
175.11195	14.5
175.14853	12.9
177.12735	2.7
177.16316	2.6
179.08516	2.2
181.10167	3.5
182.10826	2.4
183.11722	16.8
184.08879	1.9
184.12392	2.5
185.09619	8.6
185.13257	15.4
186.10384	6.6
187.11237	17.0
187.14838	20.2
189.12766	15.9
189.16385	7.3
191.10800	1.9
191.14307	5.8
191.17999	2.5
193.10046	3.1
195.11700	6.6
196.12511	2.2
197.09651	3.2
197.13310	9.8
199.11186	31.1
199.14853	15.3
201.12752	48.0
201.16409	14.9
203.10683	5.6
203.14322	27.5
203.18033	3.4
205.12251	3.1
205.15881	5.5
207.11746	3.4
209.13271	5.8
210.13933	1.9
211.11189	3.6
211.14752	7.6
213.12901	7.7
213.16388	17.3
215.14316	24.1
215.17935	3.3
217.12215	5.6
217.15906	10.8
219.11740	2.6
219.13773	15.6
219.17444	4.3
221.15361	2.5
223.14810	4.9
225.12813	3.5
225.16426	3.6
227.14325	5.4
227.17929	3.0
229.15884	6.4
231.17543	3.5
233.15309	4.2
235.13020	2.5
237.16348	4.2
239.14510	1.8
239.17867	4.5
241.15935	5.3
241.19495	2.2
243.17397	3.0
245.15347	3.2
247.16875	3.2
249.16444	2.0
251.17924	4.1
253.15944	3.2
255.17464	4.2
255.21227	1.8
257.19046	3.7
259.16962	6.6
265.19507	3.1
267.17447	4.3
269.19031	5.9
271.17291	1.6
273.18674	3.0
273.71075	1.6
281.19022	1.9
283.17188	2.6
283.20651	4.3
295.20538	2.5
327.03799	1.6
327.23172	2.2
339.23184	2.8
341.24716	3.2
347.23767	2.3
365.24817	4.6
367.22800	1.8
373.28848	2.3
377.28525	3.2
389.28455	2.5
391.29999	11.4
395.29477	7.2
401.28442	7.0
407.29358	2.9
409.30804	1.8
419.29453	32.4
437.12247	3.9
437.30496	100.0
438.30856	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	437.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21018	2.2
53.03936	2.9
55.05516	16.0
57.03418	3.4
57.07071	4.4
58.63053	2.7
59.04994	3.1
65.03931	7.6
67.05504	45.5
69.03427	5.7
69.07059	12.6
69.91706	10.9
71.04974	3.4
79.05499	18.7
81.07058	41.0
83.04965	7.1
83.08610	7.8
91.05477	27.2
93.06534	3.9
93.07052	37.1
95.04971	100.0
95.08052	4.5
95.08614	61.8
97.06524	8.0
101.06017	5.8
105.07031	43.7
106.76596	2.8
107.04948	3.6
107.08597	67.8
109.06519	12.0
109.10166	41.1
111.08081	11.0
114.75078	2.5
115.05479	2.6
117.07018	7.7
119.08585	59.1
121.06511	7.7
121.10151	40.6
123.08048	7.0
123.11716	17.4
125.09634	3.9
128.06226	2.8
129.06969	3.5
131.08582	19.7
133.10139	39.4
135.08049	17.7
135.11697	10.4
137.09517	2.7
137.13232	3.6
139.07520	2.7
141.06969	3.6
142.07750	7.2
143.08539	14.8
145.06442	2.9
145.10123	37.6
147.08049	16.4
147.11693	20.0
149.09604	7.8
149.13237	12.2
151.11073	2.9
153.09157	4.9
155.08551	6.1
157.10104	18.8
159.08061	12.6
159.11681	30.2
161.09628	29.3
161.13264	15.8
163.11189	6.9
163.14838	4.8
165.09021	3.2
169.10143	9.7
171.11713	16.8
172.12230	3.1
173.09584	10.6
173.13258	23.5
174.10255	2.9
175.11197	9.7
175.14830	25.6
177.12733	6.1
177.16341	4.1
181.10164	3.4
183.11705	8.6
185.09677	4.2
185.13258	12.8
187.11288	3.7
187.14774	14.2
189.12759	9.6
189.16397	12.2
191.14386	6.1
193.04907	3.0
193.12230	5.8
195.11694	2.9
197.13225	7.8
199.11148	6.9
199.14792	10.7
201.12787	15.1
201.16370	10.1
203.14323	80.9
203.17982	8.5
205.15874	5.0
207.11664	3.2
209.13315	5.6
211.14861	5.0
213.12822	3.7
213.16385	7.3
215.14406	14.8
215.18005	3.0
217.15849	21.7
219.13757	9.4
221.15289	4.3
221.48076	3.0
223.14806	5.2
225.16408	4.2
229.15930	9.5
233.15427	4.1
237.16322	4.3
239.17824	2.8
241.15874	7.4
243.17491	8.5
251.17921	3.9
253.15913	6.3
255.17549	4.7
265.19299	3.6
269.18912	3.5
288.01880	2.6
295.23935	2.8
341.24820	5.4
341.90540	2.7
349.21475	3.3
367.22348	3.0
391.29691	4.4
401.28104	3.6
409.31064	3.1
419.29178	23.7
437.20242	17.6
437.25089	5.2
437.30026	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	437.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05987	4.5
53.03936	9.0
55.05513	11.3
57.03434	5.9
67.05510	62.7
68.99780	6.5
69.03452	24.7
69.07076	8.4
69.36655	5.3
70.06593	12.8
70.54687	10.1
70.55013	7.3
71.04991	12.0
72.08155	13.7
73.02922	8.8
77.67890	5.4
79.05485	11.1
81.03429	24.8
81.07056	17.0
85.02899	15.4
85.06545	11.5
86.09702	5.5
87.00826	12.0
91.05482	26.1
93.07028	13.3
95.04984	11.5
95.08589	17.0
97.02892	69.7
97.06502	11.1
99.04448	11.6
99.69460	5.5
105.01883	8.5
105.07014	48.1
107.08601	43.3
109.02867	40.1
109.06507	11.0
109.10153	70.5
111.04485	7.2
117.07056	5.3
119.08585	67.1
120.08104	9.3
121.06496	13.9
123.08080	57.3
127.03929	100.0
127.11199	17.2
131.08551	12.7
133.10133	17.5
135.08057	18.5
137.09631	44.0
144.09306	6.3
145.10115	12.5
147.08022	11.3
147.11697	51.6
149.09679	5.6
156.09409	6.6
159.11690	29.2
161.13306	25.5
162.66031	5.1
171.11710	7.7
177.12746	14.2
189.12766	20.0
207.13806	92.6
213.04015	17.2
248.03412	5.1
271.69888	5.0
313.62741	5.6
393.69983	7.2
419.17026	9.2
437.18222	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	437.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01874	3.2
55.05510	3.4
57.03429	4.8
59.04999	2.1
60.84318	1.6
65.03939	2.1
67.05502	7.7
68.99792	3.7
69.03432	18.0
69.74819	1.7
70.06595	5.0
71.04987	3.5
71.05854	4.8
72.08153	3.6
76.46632	1.6
77.18979	1.6
79.05494	14.9
81.03423	11.3
81.07061	9.8
83.04984	4.4
85.02425	2.6
85.02911	31.9
85.06510	2.6
86.09702	2.4
87.00827	5.7
91.05488	32.6
93.07050	24.9
95.04973	9.1
95.08615	20.2
97.02891	7.3
97.06541	13.5
99.04457	2.7
105.01869	1.8
105.07040	23.4
107.04982	4.0
107.08602	99.6
109.02898	14.2
109.06544	10.7
109.10144	4.4
111.04447	3.8
111.08065	4.4
116.06242	2.7
117.07018	4.5
119.06054	2.9
119.08589	19.0
120.08089	4.2
121.06533	9.3
121.10153	16.0
123.04422	4.5
123.08089	8.6
123.11707	3.7
127.03936	22.5
127.07556	3.7
128.06261	2.2
129.06985	5.4
131.08578	100.0
133.10127	4.9
135.08057	5.9
135.11691	1.9
137.09621	8.4
139.06026	1.7
139.07549	1.7
142.07500	1.8
143.08571	3.1
145.10143	6.8
147.04420	2.5
147.08051	9.9
147.11726	24.1
149.09630	28.7
151.07599	3.0
159.08070	3.9
159.11664	2.6
161.06023	3.6
161.09641	2.9
161.13268	5.2
163.11115	3.1
165.09193	2.9
165.12720	2.6
171.11650	4.7
173.09689	2.3
187.11221	2.8
189.03983	2.9
189.09174	2.0
189.12758	42.0
190.13240	2.3
207.13875	17.4
213.03957	4.6
215.10933	2.1
231.05026	5.5
257.11905	2.1
351.18158	3.9
379.13937	2.6
419.16626	3.5
437.17963	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	437.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01871	2.7
55.05504	4.2
56.32333	1.3
65.03950	2.3
67.05511	8.1
68.09447	1.4
68.99771	2.2
69.03441	17.2
69.07051	2.7
70.06590	4.2
71.04626	1.8
71.04996	4.3
72.08160	4.2
79.05496	12.5
81.03423	11.6
81.07059	4.9
83.04967	5.9
84.08148	1.7
85.02914	29.2
85.06558	1.5
87.00832	5.1
91.05491	29.8
91.06048	1.2
93.07054	20.1
95.04948	8.3
95.08609	16.0
97.02881	8.5
97.06542	15.9
99.04453	3.4
103.05540	1.5
105.01868	1.6
105.07039	18.5
107.04998	3.9
107.08604	93.6
109.02876	10.8
109.06550	10.9
109.10110	1.8
111.04430	2.6
111.08092	2.8
116.06237	5.0
117.07030	3.7
119.04920	2.2
119.08590	17.3
120.08091	2.7
121.06517	9.8
121.10104	12.3
123.04364	3.1
123.08064	6.9
123.11735	4.4
127.03928	25.0
127.07536	4.0
129.06996	3.6
131.04976	1.9
131.08580	100.0
133.06494	2.9
133.10121	6.6
135.08029	4.2
135.11726	3.2
137.05954	1.9
137.09639	8.5
139.03845	1.6
143.08621	4.0
145.10138	5.3
147.04460	3.2
147.08063	6.0
147.11708	19.8
149.09624	27.1
151.07553	3.9
156.09311	3.9
159.08038	3.1
161.09650	4.0
161.13252	4.5
163.03877	1.6
165.08983	2.0
165.12816	3.5
167.07018	1.8
171.08003	1.8
171.11722	6.6
171.14900	2.0
174.10443	2.3
181.05008	1.8
187.11229	2.8
189.04037	2.1
189.09071	2.5
189.12764	37.5
205.12253	1.7
207.13828	13.9
213.03926	6.2
231.04929	3.1
257.11832	3.0
333.16772	1.7
351.17908	4.6
379.13681	1.9
419.17062	2.1
437.18173	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	436.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
54.73920	2.1
55.05506	4.6
57.07079	32.0
67.05526	11.1
69.03423	6.8
69.07065	7.1
70.20214	8.3
71.04988	2.2
75.73252	2.2
76.25475	2.2
79.05487	7.4
81.03407	5.8
81.07063	12.0
83.04985	3.5
83.08644	5.3
85.02905	18.4
85.06554	35.2
91.05484	5.9
93.07039	10.5
95.04967	9.4
95.08611	23.3
97.02884	8.4
97.06532	5.8
99.04469	3.1
99.57365	2.2
105.07047	11.8
107.08589	15.0
109.06535	31.3
109.10133	12.1
110.10538	2.9
111.04479	3.1
111.08095	2.7
117.07037	2.2
119.08579	12.7
121.10139	7.1
123.08073	8.4
123.11735	3.1
125.09671	2.6
127.03896	5.5
131.08591	5.2
133.10156	6.0
134.10461	2.6
137.09648	14.0
139.04019	2.1
143.08569	2.1
145.10135	5.1
146.10405	3.1
147.04411	7.5
147.08150	2.9
147.11691	6.2
149.09669	3.1
149.13313	2.5
153.09090	7.1
155.10699	19.9
157.10167	2.7
159.11714	5.7
161.09564	2.3
161.13353	3.2
163.11246	3.1
165.09116	2.9
173.13255	3.2
175.14839	3.3
177.12811	2.7
179.14319	21.5
185.13138	3.7
187.14798	2.0
189.16460	2.3
190.16782	2.3
193.15938	3.6
197.13376	2.7
201.16348	4.0
202.16684	2.6
213.16455	3.0
221.15385	6.4
223.14897	2.3
239.16447	100.0
257.17508	45.7
310.16043	2.1
329.24924	2.4
331.49545	1.9
436.32773	9.4
437.30429	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	437.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	33.3
55.01876	12.8
55.05519	15.9
61.62909	6.1
67.05508	44.5
69.03435	54.4
69.07064	10.3
69.47689	50.3
70.06602	7.9
71.04977	19.2
74.99944	6.3
79.05488	14.8
81.03424	54.5
81.07056	16.8
83.04980	27.9
85.02927	36.5
85.06545	19.3
86.09701	15.6
87.00835	36.5
91.05481	26.9
93.07043	19.0
95.04933	11.2
95.08612	94.8
97.02895	62.5
99.04456	15.7
103.05482	7.5
105.01920	10.0
105.07030	50.6
107.04910	6.2
107.08584	24.6
109.02887	80.6
109.06491	17.8
111.04444	9.3
113.05992	10.2
115.37347	6.2
119.04916	9.5
119.08593	60.2
120.08107	13.0
121.02869	28.1
121.06522	14.8
121.10150	20.7
123.04379	8.0
123.08078	61.8
124.89513	6.8
127.03920	97.3
131.08568	19.4
133.06491	14.7
133.10126	19.2
135.08076	11.5
135.11694	17.0
137.09584	18.5
143.08519	10.4
145.02843	7.7
145.04993	8.9
145.10129	17.8
147.08026	15.5
147.11687	30.8
149.05957	7.5
149.09645	77.7
151.03946	21.4
151.07550	10.4
152.04245	17.7
156.09288	10.7
159.11700	8.5
161.09610	8.5
161.13252	35.8
163.03920	12.3
163.11253	13.1
165.12717	7.1
169.04991	10.7
171.11659	23.3
173.09692	9.5
174.10422	11.3
175.11230	9.0
179.14314	7.9
187.11128	11.6
189.12753	79.7
191.14294	12.9
207.13828	62.7
213.03835	11.1
231.04977	10.0
253.04857	8.3
271.06012	17.3
273.03873	10.0
275.10294	21.7
299.18896	7.6
311.91977	6.6
345.07562	16.5
363.08405	14.6
368.11819	6.1
391.08252	100.0
419.07614	79.9
419.16992	16.8
437.09192	8.7
437.18134	20.7
437.30222	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34689	10.9
53.03957	11.3
53.29251	10.0
56.20806	8.5
67.05528	13.5
69.03438	25.1
79.05513	17.2
81.03434	21.1
81.07059	12.7
85.02899	74.4
87.00830	43.5
91.05489	28.1
93.07047	92.8
95.08620	20.4
97.02900	38.9
105.01890	56.7
107.08618	100.0
109.02892	18.3
109.10204	9.7
123.13580	9.6
127.03917	59.8
128.85835	9.1
135.11714	60.7
140.98650	8.9
145.04985	29.9
159.03000	17.4
231.05037	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.05504	1.7
59.04999	1.5
61.04893	0.8
65.03934	1.0
67.05518	2.2
69.03439	2.1
69.07061	2.5
70.06590	3.0
70.64545	1.0
70.64866	1.8
71.04652	1.0
71.05000	12.4
73.06551	4.4
79.05107	0.9
79.05474	4.7
81.03424	4.1
81.07060	17.7
85.02911	5.1
87.00832	1.7
91.05454	3.0
93.07037	12.4
95.08614	3.2
97.02872	3.3
97.06522	1.3
105.01882	4.4
105.07011	3.0
107.08607	11.2
108.05312	1.2
109.02876	2.5
109.10159	1.9
109.24038	0.9
117.06973	1.1
119.08625	2.3
127.03920	2.5
130.08693	1.1
130.35016	0.9
131.08618	1.5
133.10088	1.3
135.11696	19.3
137.09549	1.0
145.04970	1.3
145.10136	1.7
153.12758	100.0
154.13095	1.2
167.07027	1.0
168.07388	1.4
173.13248	1.4
181.04977	2.8
182.05365	1.2
199.11198	3.8
200.11507	2.3
201.56346	1.0
217.12282	1.2
233.08090	1.2
234.08388	1.6
317.11783	1.2
405.88806	1.2
436.29401	2.4
437.15558	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05518	11.9
56.15177	1.4
57.03415	1.4
57.07072	6.0
59.05003	4.2
61.02927	4.6
67.05503	1.7
69.03430	15.7
69.07072	6.7
69.68438	5.1
69.68849	3.2
71.08642	6.6
73.06562	29.3
78.20422	1.3
79.05496	2.3
81.07069	14.6
83.08627	7.0
85.06559	9.1
87.00847	5.0
91.05479	2.6
93.07060	1.3
95.08620	18.0
97.02900	43.7
97.10178	7.9
99.08134	2.3
101.02396	4.3
105.01809	1.8
105.07018	3.7
107.08601	2.9
109.10146	2.8
115.03947	1.4
119.08624	3.5
120.08927	1.7
125.02365	19.6
132.09015	1.3
133.10127	2.4
135.11656	1.5
137.13268	41.0
139.03886	2.0
143.03403	7.0
145.10136	4.2
146.10489	2.6
147.04419	4.9
154.30006	1.3
155.14323	100.0
156.14694	1.4
159.11726	2.7
160.12103	3.0
161.04446	2.6
173.15408	27.1
175.14725	1.3
187.14880	1.8
188.15128	2.6
189.16344	1.9
201.16464	2.6
202.16681	2.7
215.17850	1.8
229.03409	3.6
247.04558	4.2
247.83765	1.4
327.98264	1.7
390.32401	1.8
436.33142	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79874	2.6
52.31617	2.9
53.03944	8.0
55.01864	6.3
55.05502	10.2
57.03438	7.7
58.00250	3.3
65.03956	3.8
67.05491	12.5
69.03426	20.2
69.07075	6.1
69.83484	9.7
69.83889	6.0
71.04993	5.6
73.02914	6.1
79.05516	16.9
80.91822	3.6
81.03419	20.8
81.07067	14.5
85.02912	62.4
87.00829	25.7
91.05481	25.0
93.06474	5.3
93.07059	100.0
95.04980	6.0
95.08615	25.1
97.02904	29.6
97.06569	4.0
99.04463	6.9
103.96496	3.6
105.01878	40.3
105.07021	11.2
107.08611	99.7
108.04561	3.5
109.02891	20.0
109.06537	5.5
109.10138	7.8
115.03983	3.4
119.08584	6.5
121.02865	12.7
122.02765	3.7
123.04476	18.2
123.08087	5.0
127.03934	43.8
135.11713	68.0
137.13167	3.2
145.04967	21.6
147.04413	4.6
147.11729	3.4
153.12691	6.9
159.02827	7.0
163.03918	8.8
181.05055	4.3
193.05019	4.4
199.63806	3.6
231.05011	14.9
234.08351	4.9
271.06067	6.9
272.06418	16.5
273.06625	12.9
274.06915	19.3
378.51813	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	436.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
59.04989	1.0
69.03429	7.4
69.52235	1.7
69.52652	4.2
70.06586	1.0
85.02911	5.1
87.04450	5.1
95.04993	1.3
97.02885	5.6
98.21574	1.0
98.97562	1.0
107.04958	100.0
108.05281	1.4
112.05379	0.9
115.03922	5.2
133.04973	6.6
147.04411	2.3
148.14679	0.8
155.01598	1.3
237.02869	0.9
242.42632	0.8
253.15016	0.8
302.58139	0.9
303.01782	2.3
309.08609	0.8
436.15018	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	435.3261
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03938	5.4
55.05515	21.4
57.07079	4.2
59.04996	3.5
65.03941	5.0
67.05509	99.6
69.07072	19.8
71.59504	2.8
78.50860	2.0
79.05497	38.3
81.03405	2.6
81.07061	53.6
83.04974	5.6
83.08626	14.7
83.30865	2.0
85.06541	5.5
86.25662	1.9
91.05486	40.4
93.07053	53.3
95.04974	8.5
95.08612	44.9
97.06537	4.3
97.10149	5.1
105.07038	46.1
107.04942	5.1
107.07861	3.1
107.08606	54.1
109.06505	7.6
109.10165	63.2
110.10529	2.1
111.08073	2.7
112.67211	2.2
117.07059	10.7
117.07740	2.0
119.08590	69.5
121.06504	2.1
121.10151	25.5
123.08067	3.8
123.11724	10.7
127.63667	1.8
128.06306	3.5
129.07008	12.2
129.95689	2.1
130.07829	2.6
131.08578	20.6
133.10135	31.6
135.08052	4.0
135.11705	13.8
137.09677	4.2
138.89293	2.1
141.06929	3.0
142.07764	3.0
143.08574	18.2
145.10127	37.6
147.08032	2.4
147.11702	35.4
149.13280	10.3
151.07610	2.1
155.08597	6.2
155.10741	4.4
156.09378	4.6
157.10152	18.5
159.08093	3.0
159.11720	26.3
161.09601	3.6
161.13271	14.5
163.14813	3.4
169.10118	9.0
171.11722	25.2
173.09573	2.6
173.11732	7.7
173.13292	16.8
175.14851	14.5
177.16344	4.1
181.10068	2.8
183.11700	8.7
185.13235	10.5
187.14810	16.9
189.12775	7.3
189.16417	19.0
191.17839	2.3
195.11687	6.2
197.13258	7.6
199.14832	15.2
201.16426	29.1
203.18008	6.6
207.13776	10.6
209.13292	5.4
211.14839	8.0
213.16360	14.2
215.14415	3.0
215.17908	11.2
218.61955	2.0
221.13289	2.0
223.14810	7.4
225.16484	5.2
227.17960	5.9
229.19478	3.9
233.15428	3.1
235.14764	2.9
235.16977	2.4
237.16533	4.3
239.17955	6.4
241.19446	4.6
243.20963	3.1
245.15419	4.3
247.17007	2.6
249.16481	2.2
251.18004	4.9
253.19456	2.7
265.19623	4.0
267.21146	5.7
269.22659	2.3
271.16910	2.3
277.19437	2.5
279.21136	3.7
281.22537	2.1
283.24194	4.6
285.18451	2.5
293.22406	3.1
295.24216	2.6
313.21573	3.7
313.25217	2.4
315.12549	2.1
333.25876	3.3
333.91360	2.1
353.24710	2.7
389.32129	23.2
407.32877	4.7
435.27325	23.2
435.32559	100.0
436.32794	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	435.326
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03939	1.8
55.05516	8.0
55.49720	0.8
57.07070	1.8
65.03953	1.6
67.05508	11.9
69.07076	10.7
69.43678	6.3
71.36481	0.8
79.05502	11.5
81.07061	22.3
83.08605	3.1
91.05484	15.1
93.07054	25.6
93.41375	0.8
95.04977	3.2
95.08614	37.2
97.10172	1.9
105.07039	30.5
107.08604	44.1
109.06515	3.0
109.10165	20.6
115.05416	1.4
117.07027	9.5
119.08589	59.9
121.10152	20.1
123.11714	4.5
125.09661	1.0
128.06244	2.4
129.07002	7.3
130.07771	2.3
130.67490	0.9
131.08572	18.0
131.09502	1.2
133.10139	38.3
135.11691	11.1
136.69749	0.9
137.13293	1.8
139.07567	1.1
141.06995	1.4
142.07782	4.2
143.08585	14.7
144.09319	3.3
145.10135	34.3
145.11285	1.7
147.11707	19.0
149.13290	7.1
153.09123	2.4
155.08577	3.6
156.09390	4.3
157.10141	22.1
158.10966	2.7
159.11710	53.6
160.12120	1.2
160.70529	1.0
161.13280	12.8
163.07512	1.5
163.14830	6.5
169.10164	5.3
170.10866	3.1
171.11703	19.8
172.12376	1.4
173.13274	27.6
175.14839	24.4
177.16403	6.6
179.10690	1.0
181.10156	1.1
183.11737	8.3
184.12538	4.1
185.13260	11.5
186.13985	1.8
187.14836	21.1
189.16405	32.3
191.17932	1.6
193.12424	1.0
195.11769	2.0
196.12424	1.1
197.13297	6.2
198.14024	2.6
199.14835	31.6
201.16403	57.0
202.16722	1.7
203.17970	9.8
205.19583	1.5
207.06514	1.6
207.13889	1.2
207.17403	1.2
209.13298	1.9
211.14838	4.3
213.16393	43.3
214.16801	1.2
215.14565	0.9
215.17966	15.3
217.15927	3.2
217.19556	1.8
221.15395	1.6
223.14928	2.3
225.16414	4.9
227.17960	8.3
229.19540	2.0
231.13962	1.4
231.17508	1.7
237.16406	2.5
239.17981	3.7
241.19574	3.8
243.21193	2.9
245.15260	1.2
247.16939	2.8
249.18568	1.0
251.18002	3.8
253.19580	3.3
259.16959	2.8
261.18561	3.8
263.18060	1.8
265.19522	5.6
267.21118	3.0
269.22772	1.6
279.21289	2.1
281.22745	3.6
285.18417	2.2
291.20950	1.2
293.22632	3.3
295.24268	1.8
299.20074	1.9
313.21744	1.3
325.21747	1.3
327.23178	3.9
333.25693	1.8
339.23013	1.3
341.24777	5.3
347.27496	1.8
365.24921	1.4
389.32043	27.4
390.32773	1.4
393.27866	1.3
407.33194	3.6
417.31842	4.4
435.32645	100.0
436.33200	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	435.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29423	0.4
55.05499	2.1
56.60817	0.5
57.03410	0.5
57.07076	0.7
57.38508	0.5
57.72009	0.4
59.04982	0.5
62.62380	0.4
67.05505	3.1
69.03429	1.3
69.07073	2.2
70.01242	0.9
70.01650	1.7
79.05502	3.4
81.03424	0.6
81.07064	5.6
83.04982	0.5
83.08603	0.7
91.05478	4.0
93.07050	6.8
95.04942	1.3
95.08614	7.8
97.06540	1.6
105.06375	0.8
105.07035	9.7
107.04927	0.5
107.08602	8.4
109.06513	1.6
109.10163	4.9
111.08076	1.4
115.05414	0.8
117.07048	2.2
119.08591	8.6
120.08912	0.5
121.06487	1.8
121.10152	5.9
123.08079	1.6
123.11702	1.6
125.09635	1.2
127.03886	0.5
128.06230	1.6
129.07008	2.2
129.63075	0.5
131.08586	5.9
133.06503	0.6
133.10138	6.1
135.08054	1.4
135.11688	3.0
137.09601	1.1
141.06985	1.8
142.07750	1.3
143.08577	5.5
144.09308	0.8
145.06523	3.8
145.10124	6.9
147.08022	2.0
147.11699	3.1
149.09610	1.4
149.13199	1.1
151.11197	1.1
153.06985	0.5
154.07785	1.1
155.08566	1.9
156.09344	8.2
157.06479	1.3
157.10156	4.8
158.07262	1.3
158.10851	0.5
159.08076	6.1
159.11691	5.2
161.09639	1.6
161.13260	2.7
163.11185	1.3
165.07024	0.9
166.07791	0.6
167.07066	1.0
167.08542	0.7
167.10640	0.5
169.06482	2.3
169.10112	4.3
170.07253	1.7
170.10857	0.9
171.08060	6.7
171.11707	9.3
172.08833	1.4
173.09619	3.9
173.13254	4.3
175.11237	2.9
175.14839	2.5
177.12827	0.8
177.16371	1.3
179.08522	0.8
181.04984	1.6
181.06441	0.6
181.10080	2.3
182.07297	2.0
183.08008	1.8
183.11716	1.7
184.08856	17.3
185.09645	3.7
185.13257	2.4
186.10329	0.7
187.11174	4.2
187.14809	3.0
189.12801	1.2
191.10655	0.5
191.14319	1.9
195.08054	1.1
195.11688	0.8
195.53983	0.6
196.08832	2.3
197.09633	21.9
197.13284	0.8
198.10370	2.2
199.11191	100.0
200.11610	1.8
201.09036	0.7
201.12750	14.8
201.16429	3.3
203.14308	3.5
205.15872	1.9
207.11638	0.5
209.09708	1.2
209.13199	1.0
210.10287	1.0
211.11179	9.0
211.14732	0.8
212.11874	1.0
213.12764	10.9
215.10753	2.1
215.14325	2.5
217.12210	1.5
217.16135	0.5
219.17436	2.6
221.15337	1.6
223.11223	1.2
223.14813	0.5
225.12799	3.5
225.16310	0.8
227.14339	1.4
233.08000	1.1
237.12816	1.1
237.16226	0.6
239.14316	1.6
241.15872	4.0
249.16379	0.6
251.14392	1.1
253.15875	1.4
255.17514	1.3
265.15823	0.9
267.17404	1.5
269.19095	0.6
279.17535	0.8
288.14948	0.5
291.17392	0.6
293.18936	0.5
345.22012	0.6
377.24817	0.6
387.26794	0.7
399.26746	1.6
405.27866	1.7
417.27859	5.4
420.44629	0.5
435.28934	41.4
436.29196	1.4
443.98651	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	435.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
65.03944	1.7
67.05500	1.0
69.03418	1.5
69.07088	0.7
71.58039	1.0
71.58388	1.0
78.04708	0.9
79.05495	3.1
81.03420	2.2
81.07045	3.2
85.02882	2.8
91.05467	3.2
93.07050	3.1
95.04974	1.9
95.08633	1.1
97.02905	1.4
97.06564	1.0
98.97570	0.8
99.04446	0.7
103.05547	0.9
105.01885	0.9
105.07023	1.6
106.04256	0.7
107.04955	7.7
107.08599	1.5
109.02864	1.9
110.03667	1.2
115.05454	2.1
117.07002	2.0
119.08620	1.2
121.02882	0.7
121.10197	0.7
123.04427	1.8
123.11671	0.8
124.05222	1.6
125.05924	1.1
127.03928	16.7
127.58654	0.7
128.04227	0.8
129.07025	1.0
131.08528	1.1
133.06473	2.3
135.04427	1.1
135.11734	0.8
137.06033	0.7
141.06871	0.7
144.05724	1.6
145.06474	3.9
147.04424	5.5
147.08028	1.5
149.05957	0.8
152.04648	0.9
157.06482	2.2
159.11696	0.8
160.05099	0.8
161.05978	4.0
163.04031	0.9
163.07687	0.9
167.07048	19.9
171.06580	1.1
172.03807	1.4
172.05206	19.1
173.05991	2.1
175.07516	2.4
181.04984	17.2
187.07562	1.8
189.05489	2.1
190.06277	1.1
191.07050	1.1
200.04715	9.7
201.05426	2.5
203.07109	1.0
205.08601	3.3
211.05884	1.1
217.08571	1.1
218.05734	14.8
219.10172	0.8
221.08040	2.5
233.08099	100.0
234.08502	1.7
235.09676	1.2
245.08109	1.6
251.09134	1.1
263.09189	14.1
264.07672	0.9
307.09525	1.0
323.08630	0.7
331.08215	2.0
339.12363	1.0
346.10413	0.8
367.11823	1.9
387.14413	1.9
393.15945	1.2
399.14395	1.8
417.15491	17.2
435.15283	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	435.1653
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03950	2.7
55.01860	1.5
55.05502	2.5
65.03941	8.2
67.05501	6.9
69.03434	7.1
69.07066	1.9
70.06583	1.4
71.04981	1.5
71.58129	1.5
71.58517	1.4
79.05495	11.7
81.03406	4.4
81.07073	6.8
82.04201	2.9
83.04977	2.3
85.02912	6.3
91.05477	8.3
93.03358	1.3
93.07036	5.3
95.04970	5.3
95.08600	5.5
97.02919	1.3
97.06521	4.9
103.05468	2.0
105.07020	9.4
107.04967	13.3
107.08592	7.8
109.02889	2.0
109.06498	2.2
109.10162	4.1
110.03651	2.7
111.04426	2.5
111.08086	1.5
114.19276	1.5
115.05465	2.8
117.07058	6.6
119.04942	3.7
119.08575	7.3
121.02863	1.3
121.06514	3.2
121.10168	3.1
123.04427	3.6
124.05199	3.7
125.05956	4.4
127.03947	8.9
128.06213	2.1
129.06979	3.8
131.04922	1.8
131.08559	4.8
133.06500	3.5
133.10141	3.8
135.08035	1.7
135.11700	3.1
137.05994	3.3
138.03116	2.4
141.06984	3.2
142.02637	1.6
143.08568	1.4
144.05676	3.9
145.06505	9.5
145.10120	4.7
147.04445	8.0
147.08055	2.7
147.11729	3.0
149.09526	2.3
151.03897	1.4
151.11206	2.3
152.04645	1.5
153.05507	2.0
153.12727	4.1
155.05997	1.9
157.06456	2.1
157.10103	2.9
158.03746	1.4
159.08118	5.9
159.11691	2.9
161.05971	4.6
161.09619	1.9
161.13242	1.5
163.07594	1.3
165.05550	1.6
167.07045	49.6
169.12306	2.2
171.06535	4.6
171.11652	2.4
172.05200	9.0
173.06042	6.3
173.09616	1.9
173.13261	4.0
175.07507	2.9
175.11198	1.7
177.09181	1.5
181.04967	100.0
182.05287	1.6
183.06584	1.3
185.05795	1.3
187.07547	9.3
187.11171	2.3
189.05438	3.2
189.12822	2.0
190.06233	1.6
191.07039	2.1
191.10732	2.0
195.06532	2.3
197.09669	2.9
197.13263	1.2
199.11166	15.9
200.04683	4.7
201.05496	7.1
201.12784	1.9
201.16400	1.5
203.06886	1.2
203.14331	1.3
205.08614	4.0
206.05754	2.7
213.12758	2.6
213.16335	1.6
217.08493	1.7
217.12230	5.2
218.05663	7.6
219.06371	1.9
219.10222	3.8
221.08072	5.3
233.08084	61.7
235.07500	1.5
235.09605	3.1
245.08136	3.5
251.06830	1.5
251.09088	3.0
263.06888	1.4
263.09195	11.1
273.06256	1.6
301.26117	1.1
307.09521	1.6
339.12216	1.6
355.11713	3.9
367.11710	3.1
372.11920	1.6
381.13138	2.1
387.14407	7.8
399.14572	6.3
417.15479	28.9
425.73895	1.4
435.28824	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	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.7
55.01860	1.5
55.05502	2.5
65.03941	8.2
67.05501	6.9
69.03434	7.1
69.07066	1.9
70.06583	1.4
71.04981	1.5
71.58129	1.5
71.58517	1.4
79.05495	11.7
81.03406	4.4
81.07073	6.8
82.04201	2.9
83.04977	2.3
85.02912	6.3
91.05477	8.3
93.03358	1.3
93.07036	5.3
95.04970	5.3
95.08600	5.5
97.02919	1.3
97.06521	4.9
103.05468	2.0
105.07020	9.4
107.04967	13.3
107.08592	7.8
109.02889	2.0
109.06498	2.2
109.10162	4.1
110.03651	2.7
111.04426	2.5
111.08086	1.5
114.19276	1.5
115.05465	2.8
117.07058	6.6
119.04942	3.7
119.08575	7.3
121.02863	1.3
121.06514	3.2
121.10168	3.1
123.04427	3.6
124.05199	3.7
125.05956	4.4
127.03947	8.9
128.06213	2.1
129.06979	3.8
131.04922	1.8
131.08559	4.8
133.06500	3.5
133.10141	3.8
135.08035	1.7
135.11700	3.1
137.05994	3.3
138.03116	2.4
141.06984	3.2
142.02637	1.6
143.08568	1.4
144.05676	3.9
145.06505	9.5
145.10120	4.7
147.04445	8.0
147.08055	2.7
147.11729	3.0
149.09526	2.3
151.03897	1.4
151.11206	2.3
152.04645	1.5
153.05507	2.0
153.12727	4.1
155.05997	1.9
157.06456	2.1
157.10103	2.9
158.03746	1.4
159.08118	5.9
159.11691	2.9
161.05971	4.6
161.09619	1.9
161.13242	1.5
163.07594	1.3
165.05550	1.6
167.07045	49.6
169.12306	2.2
171.06535	4.6
171.11652	2.4
172.05200	9.0
173.06042	6.3
173.09616	1.9
173.13261	4.0
175.07507	2.9
175.11198	1.7
177.09181	1.5
181.04967	100.0
182.05287	1.6
183.06584	1.3
185.05795	1.3
187.07547	9.3
187.11171	2.3
189.05438	3.2
189.12822	2.0
190.06233	1.6
191.07039	2.1
191.10732	2.0
195.06532	2.3
197.09669	2.9
197.13263	1.2
199.11166	15.9
200.04683	4.7
201.05496	7.1
201.12784	1.9
201.16400	1.5
203.06886	1.2
203.14331	1.3
205.08614	4.0
206.05754	2.7
213.12758	2.6
213.16335	1.6
217.08493	1.7
217.12230	5.2
218.05663	7.6
219.06371	1.9
219.10222	3.8
221.08072	5.3
233.08084	61.7
235.07500	1.5
235.09605	3.1
245.08136	3.5
251.06830	1.5
251.09088	3.0
263.06888	1.4
263.09195	11.1
273.06256	1.6
301.26117	1.1
307.09521	1.6
339.12216	1.6
355.11713	3.9
367.11710	3.1
372.11920	1.6
381.13138	2.1
387.14407	7.8
399.14572	6.3
417.15479	28.9
425.73895	1.4
435.28824	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	435.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10417	0.8
61.83855	0.7
69.03436	1.2
70.68960	1.1
70.69299	1.6
81.03429	2.5
85.02901	1.9
97.02863	1.3
109.02863	0.9
127.03910	3.7
137.63164	0.9
167.07043	1.2
186.06625	1.2
218.90144	1.0
227.05339	2.5
271.04324	4.0
277.51138	0.8
349.12625	6.0
354.17972	1.0
373.12564	1.8
391.13647	47.7
407.33139	1.0
435.12659	100.0
436.13199	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	435.1653
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03939	2.9
55.01878	1.7
58.88832	0.9
61.02893	1.0
65.03944	7.9
67.05503	3.4
69.03434	7.4
69.81013	5.0
79.05500	7.9
81.03394	6.5
81.07075	1.4
82.04219	2.6
85.02907	8.2
86.09731	1.2
89.83668	0.8
90.24647	0.9
91.05485	4.8
93.03398	2.1
95.04975	4.1
96.05776	0.8
97.02917	3.0
97.06554	2.4
99.04411	1.1
103.05458	2.4
105.07022	2.4
107.04961	18.7
109.02885	2.6
109.06507	1.1
110.03667	3.7
111.04484	2.1
115.03954	1.2
115.05456	4.5
116.06223	2.3
117.07039	5.8
119.08615	1.3
120.08109	2.0
121.06506	1.0
123.04459	3.2
124.05209	3.1
125.06002	4.1
127.03922	8.7
128.06212	1.7
129.07027	2.8
131.04965	3.2
131.08575	3.1
133.05022	1.2
133.06511	2.2
136.07568	1.0
137.06033	1.9
138.03130	2.8
141.07004	2.3
142.02638	4.0
144.05727	3.2
145.05020	1.3
145.06506	8.5
147.04478	2.1
152.04651	1.5
153.05484	2.1
153.06776	0.8
155.04958	1.2
155.06042	1.6
155.07127	1.2
157.06516	3.8
158.03606	1.0
159.08044	5.1
160.05202	1.1
161.05998	4.9
165.05482	0.9
166.02664	1.4
167.07054	49.6
171.06538	6.4
172.05190	11.3
173.05983	6.3
173.19098	0.9
175.07645	2.6
181.04965	100.0
182.05417	2.0
187.03911	1.0
187.07539	8.3
189.05531	3.2
190.06239	2.2
191.10709	2.5
193.04964	1.2
195.06543	2.6
196.85927	1.0
200.04697	4.8
201.05453	6.6
203.07076	1.3
205.08655	4.6
206.05763	2.9
217.08737	1.4
218.05696	8.5
219.06464	1.1
219.10135	4.3
221.08012	7.5
233.08087	59.4
235.07587	1.7
235.09665	2.2
236.52315	1.0
242.11172	0.8
245.08095	3.0
247.07552	2.3
249.05600	1.0
249.09016	1.1
251.09044	4.7
260.10315	1.8
263.06876	1.2
263.09219	12.9
264.07843	0.9
295.09634	1.2
306.08728	1.3
307.09613	1.7
309.08023	1.3
323.09268	2.0
329.10153	1.2
339.12427	1.8
344.12231	1.2
355.11807	2.8
367.11880	3.8
371.15009	2.3
381.13461	1.9
384.12045	1.0
387.14545	11.2
399.14389	6.5
417.15463	30.3
418.16132	1.4
435.22070	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	18.4
53.22717	6.1
53.96180	7.6
55.01876	12.2
57.03432	10.0
57.07073	8.1
61.02917	8.2
63.03236	6.7
65.48098	8.1
69.03432	39.9
69.07080	80.0
69.67944	45.7
73.02911	7.1
73.81893	7.4
80.69600	8.0
81.03412	40.7
81.07054	24.7
85.02914	100.0
87.00845	53.7
87.16174	7.7
93.07061	9.2
95.08629	13.0
97.02916	82.0
99.04477	17.7
105.01888	53.0
105.07008	9.7
107.08553	8.1
109.02903	49.2
109.10154	9.9
119.08619	22.0
123.11718	40.3
127.03935	93.0
145.04987	55.8
149.33022	7.0
151.11172	64.9
159.02925	30.8
159.11729	9.6
175.14832	9.1
183.11714	9.5
189.16362	11.1
201.16516	10.3
211.63416	7.3
213.03993	9.1
231.05150	13.3
399.16513	32.6
426.83154	7.7
435.32944	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85867	1.0
53.03955	7.8
55.01878	6.8
55.05499	1.4
57.03437	6.3
61.02946	6.4
68.99789	3.1
69.03072	2.1
69.03431	33.2
69.63718	4.0
69.64144	3.5
70.06601	1.6
71.04968	3.8
73.02914	5.6
81.03423	20.1
81.07037	3.4
85.02910	100.0
87.00835	41.1
91.05511	1.2
93.07058	2.5
95.06103	1.8
97.02897	28.8
99.04463	14.2
101.02345	1.5
105.01873	69.8
105.07024	1.8
107.04990	1.4
107.08566	2.7
109.02890	27.0
109.10158	3.8
111.08087	4.0
117.01863	3.8
119.08594	1.5
123.08047	1.3
123.11718	11.0
127.03923	79.4
128.04274	1.1
129.01842	2.5
133.10129	2.2
141.12793	1.1
145.04965	29.5
147.02913	2.3
153.01869	1.4
159.02910	11.7
163.06007	1.3
167.07121	1.4
169.12274	11.8
177.03967	1.6
181.04890	2.7
189.03917	3.4
211.13310	1.2
213.04082	5.9
213.05986	1.0
224.59129	1.1
231.02687	1.9
231.04999	34.7
233.08134	5.0
249.06113	10.7
271.05978	5.8
272.06390	10.7
277.14240	3.1
381.15704	1.7
399.16241	2.3
405.90021	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	433.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.4
55.05265	2.5
55.05519	37.9
57.07085	3.3
59.05006	66.8
61.22803	1.6
65.03951	2.4
67.05515	14.8
67.38029	2.4
69.03417	5.0
69.07062	9.0
69.34908	1.8
69.95248	5.2
69.95648	3.1
71.04984	2.4
75.04472	2.6
79.05501	16.1
81.07060	17.4
83.04987	5.2
83.08611	4.3
85.06552	100.0
91.04964	3.1
91.05491	53.2
93.07058	35.3
94.45097	1.6
95.04977	6.7
95.08611	24.9
97.06518	3.5
99.08096	5.4
101.05971	2.2
103.05460	3.6
105.06375	3.0
105.07043	44.6
107.04919	3.0
107.08601	25.7
109.06548	8.5
109.10170	19.9
111.08089	13.7
113.00027	9.4
115.05450	4.3
117.07038	22.8
119.08603	68.2
121.06516	4.9
121.10155	24.1
122.07296	4.9
123.08110	10.8
125.09647	25.3
128.06206	6.2
129.07004	9.2
130.07817	4.7
131.08583	25.4
133.10149	23.5
135.08041	5.4
135.11711	10.2
136.12758	1.7
137.09636	24.2
141.06993	5.7
141.09074	2.3
142.07779	15.4
143.08577	24.9
144.09337	5.2
145.10143	34.7
147.08089	5.6
147.11688	10.7
149.09630	8.7
151.11214	30.6
153.06990	3.5
155.08585	10.2
156.09358	11.9
157.10138	28.2
158.10956	3.0
159.08054	4.0
159.11745	11.8
161.09605	5.5
161.13248	3.1
163.11139	7.0
165.07103	3.3
167.08484	3.9
168.09393	3.7
169.02615	8.8
169.10106	13.6
170.10915	6.1
171.11720	18.2
173.09576	3.0
173.13275	8.2
175.11217	5.2
177.12785	2.7
178.07826	2.1
179.08578	8.0
180.09279	4.0
181.10107	8.0
182.10901	3.3
183.11736	16.2
184.12387	2.0
185.13303	8.4
187.11223	2.6
187.14847	3.4
189.12773	6.3
191.14212	2.6
193.10161	7.7
194.10899	6.5
195.11670	9.4
196.12389	2.3
197.13272	10.3
199.14796	2.6
203.14333	6.7
205.10172	2.9
206.10901	3.6
207.11858	8.8
209.13249	12.3
211.14873	4.8
213.16316	2.0
215.14351	5.8
215.16354	1.8
219.11745	3.0
219.13678	2.4
220.12398	3.0
221.13264	5.2
223.14803	5.9
225.16417	3.1
232.12537	2.3
235.14890	5.1
235.17079	2.1
237.16402	2.5
239.14380	3.0
247.14783	3.1
249.16473	3.4
251.17949	2.4
261.16348	3.2
263.17993	3.6
267.17154	2.1
275.20288	2.3
277.19672	2.0
291.20767	2.6
315.20703	2.0
341.24686	2.0
359.53720	1.8
415.30035	2.2
433.19122	2.5
433.24561	3.6
433.31055	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	433.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.05514	29.2
57.18842	1.8
59.05006	63.4
65.03945	2.6
67.05514	16.6
67.42949	1.8
69.03426	5.7
69.07071	8.0
69.95258	7.1
70.96055	1.6
71.04988	2.9
73.06569	1.9
76.36356	1.5
79.05489	14.8
80.68346	1.7
81.07054	13.9
83.04999	3.5
83.08607	2.7
85.06551	100.0
91.05486	46.9
93.07045	30.8
95.04973	7.3
95.08614	24.4
97.06507	2.4
98.20775	2.0
99.08073	3.4
101.06003	2.7
103.05474	4.1
105.06380	3.3
105.07043	42.5
107.04957	2.9
107.08594	21.4
109.06522	10.8
109.10157	18.7
111.08073	11.4
112.99989	1.9
115.05473	4.4
117.07032	14.0
119.05080	2.4
119.08589	66.4
121.06510	4.0
121.10150	26.4
122.07310	3.8
123.08102	9.1
123.11745	3.2
125.05976	2.2
125.09631	23.5
128.06221	7.7
129.07011	11.4
130.07748	3.6
131.08589	26.5
133.10150	26.7
135.08054	5.5
135.11700	8.9
137.09628	28.2
141.07034	3.8
142.07794	13.6
143.08577	21.4
144.09297	2.7
145.10127	32.9
147.08083	5.8
147.11678	9.1
149.09602	9.1
149.13171	2.0
151.11203	33.3
153.07106	2.1
155.08545	9.4
156.09343	10.4
157.10143	26.4
159.08026	2.7
159.11720	16.4
161.09694	4.1
161.13237	2.9
163.11212	11.0
165.06996	3.9
165.12784	2.4
167.08606	4.4
168.09355	4.0
169.10182	12.4
170.10912	2.9
171.11708	17.1
173.09624	3.3
173.13300	5.8
174.88847	1.6
175.11177	5.4
175.14798	2.6
177.12720	3.3
179.08589	6.5
180.09277	2.8
181.10139	5.9
182.10887	4.0
183.11700	16.2
185.13272	11.4
187.11218	2.4
187.14853	4.1
189.12712	5.1
191.08540	2.1
192.09308	4.4
193.10153	4.2
194.10907	5.0
195.11797	10.1
195.13483	2.4
196.12436	2.5
197.13271	10.6
199.11313	2.2
199.14856	2.3
199.50468	1.9
201.12744	2.8
203.14319	7.4
204.50827	1.8
205.10175	3.4
206.10947	4.6
207.11696	6.2
208.12466	2.7
209.13287	13.2
211.14911	5.1
213.12799	4.6
215.14316	6.0
219.11812	2.2
220.12506	2.9
221.13217	8.6
223.14885	8.1
225.16470	2.5
233.13504	2.4
235.14842	4.1
235.16928	2.3
237.16550	3.2
241.16080	1.9
246.14160	2.0
247.14926	3.1
253.15941	2.3
263.17868	2.4
265.19699	4.4
341.24850	2.7
354.25516	1.9
362.96286	2.0
395.21890	1.8
425.42889	1.8
433.31183	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	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49259	1.1
53.03953	1.2
55.05515	7.1
65.03923	1.6
66.36498	1.0
67.05505	9.7
69.07069	8.5
71.58726	1.8
74.61007	1.0
79.05488	8.0
81.07063	19.1
81.63347	1.2
83.08624	5.1
88.39330	1.3
91.05486	13.2
93.07051	18.7
95.04973	1.9
95.08607	24.2
97.06538	1.8
97.10162	1.8
98.10989	1.2
105.07041	25.3
107.08606	27.9
108.57018	1.2
109.06485	1.8
109.10152	13.3
117.07050	7.0
119.08584	41.0
120.36962	1.2
121.10154	16.2
123.11700	2.9
128.06238	4.3
129.07018	4.8
130.07797	1.5
131.08557	16.3
133.10146	42.0
135.11700	6.2
141.07013	3.5
142.07799	9.3
142.08759	1.3
143.08572	15.8
144.09343	3.0
145.10141	29.5
147.11713	15.8
149.13257	5.6
151.07561	1.9
153.09184	2.2
154.07854	1.4
155.08542	8.1
156.09386	9.0
157.10150	24.0
157.11345	1.0
158.10922	1.6
159.08115	1.8
159.11700	35.4
161.13272	8.4
163.07478	2.7
163.14917	3.1
167.08603	4.0
168.09375	3.9
169.10147	20.3
170.10959	9.9
171.11687	20.6
173.09637	1.6
173.13284	18.3
175.11278	2.3
175.14838	18.0
177.09091	1.7
177.16353	5.5
179.08548	2.5
181.10083	6.3
182.10944	6.0
183.11734	17.2
184.12500	4.8
185.11603	2.6
185.13274	46.1
186.13918	1.7
187.14856	15.6
189.16394	6.8
193.10234	4.6
193.12177	2.3
195.11726	9.4
196.12439	7.2
197.13280	27.3
199.14824	30.4
201.16411	15.5
203.17976	8.0
207.11728	3.3
209.13231	6.3
210.14107	2.4
211.14842	41.8
213.16385	13.2
215.14565	1.4
215.17929	4.6
217.19466	1.4
219.11606	1.6
220.12503	1.8
221.13257	4.2
221.15318	2.0
223.14816	5.8
225.16380	9.7
227.18015	3.0
229.09189	1.6
229.15953	3.0
229.19476	1.8
233.15372	1.9
235.14844	5.3
237.16391	4.5
239.17960	6.9
241.19568	1.6
247.14734	1.7
247.17021	5.7
249.16457	4.5
251.18037	3.7
253.19455	2.0
261.16306	2.0
263.18118	2.5
264.22144	1.2
265.19574	5.6
271.06058	2.5
275.18100	1.3
277.19485	2.9
279.21100	3.5
283.06332	1.4
285.18570	2.1
291.21051	15.8
297.18570	1.7
317.22629	5.1
331.24255	2.6
345.25690	1.7
363.23184	3.5
377.24838	3.6
387.30484	24.9
389.32074	1.7
391.26233	2.4
405.31647	3.8
415.29926	3.6
417.59811	1.3
427.11182	1.3
433.31042	100.0
434.31491	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	433.3103
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
51.11967	1.0
52.04675	1.0
53.03920	1.7
55.05518	8.1
57.07070	2.3
67.05506	9.8
69.07064	10.7
69.89304	1.0
70.92268	2.3
75.00198	1.1
79.05503	9.9
81.07062	19.9
83.08620	6.9
91.05480	13.6
93.07048	14.9
95.04988	1.4
95.08607	26.5
97.06554	1.6
105.07038	31.0
107.04934	1.5
107.08598	28.9
109.06467	1.7
109.10167	15.1
111.08137	1.3
115.05461	3.2
117.07040	7.4
119.08587	65.7
121.10147	19.1
123.11716	6.9
123.95779	1.1
124.87881	1.3
125.05972	1.3
128.06204	2.0
129.06992	6.7
130.07773	4.8
131.08578	24.5
133.10138	44.8
135.08051	1.6
135.11700	10.9
137.13268	2.1
141.07053	2.0
142.07799	6.6
143.08582	15.3
144.09372	4.1
145.10130	66.4
147.11703	17.8
149.13248	5.5
151.07574	1.6
153.09158	2.6
155.08533	5.4
156.09378	7.5
157.10132	24.1
158.10913	5.6
159.11699	46.5
161.09679	1.9
161.13286	11.0
163.07558	4.9
163.14851	3.9
167.08517	2.1
168.09377	1.9
169.10136	11.7
170.10941	8.5
171.11688	23.9
172.12503	3.8
173.13277	26.7
175.14825	19.7
177.09221	1.5
177.16400	4.4
179.08528	1.3
181.10147	3.2
182.10941	3.5
183.11682	11.1
184.12463	3.9
185.13269	33.3
185.14856	2.1
186.13655	1.2
187.14832	77.0
188.15253	1.3
189.16393	16.3
191.17857	1.2
193.10165	1.9
195.11664	6.4
196.12471	3.6
197.13217	10.9
199.11057	1.7
199.14833	32.3
199.16571	2.4
201.12706	1.3
201.16397	32.6
203.14404	1.3
203.17999	7.2
205.15854	1.4
207.11682	2.2
209.13298	4.9
211.14828	15.8
212.15567	1.7
212.20459	1.1
212.62862	1.4
213.12796	2.9
213.16399	20.8
215.14362	3.4
215.17941	9.7
219.11813	1.7
219.13800	1.2
221.13431	2.3
221.15373	1.8
223.14824	4.0
225.16365	6.9
227.14362	2.8
227.17874	7.1
229.16028	1.7
229.19626	3.1
231.13879	1.8
233.18921	1.2
235.14830	3.1
237.16382	4.2
239.10892	1.3
239.18002	4.8
241.19588	3.8
245.15422	4.4
247.14769	2.2
247.17020	2.7
249.16376	3.0
251.17938	2.6
253.19467	3.2
255.20953	1.7
257.15390	1.9
259.16974	2.7
261.16315	2.4
263.17868	2.6
265.19592	5.6
267.21048	1.7
271.05957	2.4
275.17966	1.8
277.19482	2.4
279.20966	1.7
279.59134	1.1
281.22635	2.0
283.17133	1.3
289.19516	1.5
291.21048	2.2
293.22711	1.5
303.21039	1.4
305.22675	1.4
317.22726	1.5
325.21814	1.4
331.24274	3.6
337.21613	1.9
339.23367	1.4
345.25986	2.2
349.21616	2.0
351.23309	1.6
363.23300	2.7
377.24869	2.5
387.30508	20.6
389.31915	2.8
391.26440	1.9
405.31705	5.8
415.30106	5.3
433.31036	100.0
434.31265	3.9
451.31494	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	433.3104
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
53.03947	2.0
55.05294	1.0
55.05519	9.4
57.07066	1.3
60.10242	1.0
60.66396	0.9
65.03954	1.5
66.84581	0.9
67.05509	10.2
69.07070	6.7
69.66049	2.4
69.66476	4.6
78.32811	1.0
79.05493	11.1
81.07067	16.3
83.08632	5.1
91.05492	11.3
93.07050	19.7
95.04989	1.6
95.08617	29.8
95.09234	1.7
97.10176	1.2
105.07037	27.8
107.07861	1.9
107.08598	31.8
109.06532	2.1
109.10160	17.4
111.08109	1.5
117.06319	1.0
117.07002	4.8
119.08588	40.1
121.10155	15.8
123.08085	1.6
123.11732	3.6
125.09758	1.0
125.20502	1.0
128.02499	1.0
128.06242	2.5
129.07047	4.0
130.07779	1.6
131.08575	17.7
133.10141	28.9
135.11710	7.0
137.13356	1.0
141.06990	1.2
142.07742	5.0
143.08557	13.2
144.09364	2.6
145.06490	1.0
145.10130	29.5
147.11702	12.7
149.13300	2.9
153.09152	2.2
155.08539	5.7
156.09344	5.3
157.10136	19.8
158.10876	3.5
159.11705	26.3
159.13016	1.5
161.13257	9.6
163.07564	2.3
163.14818	1.2
165.09134	0.9
167.08578	2.1
168.09357	1.4
169.10138	8.4
170.10928	2.8
171.11702	16.2
172.12370	1.6
173.13284	19.3
175.11264	1.0
175.14845	11.0
177.16425	2.3
181.10159	3.9
182.10847	1.3
183.11717	9.5
184.12506	3.6
185.09659	1.4
185.13260	11.5
186.14030	1.3
187.14851	23.1
187.16449	1.9
189.16411	7.1
191.10625	0.9
193.10225	1.5
194.10767	1.0
195.11707	5.1
196.12471	2.1
197.13254	10.8
199.14842	24.7
201.16409	17.8
202.57364	1.2
203.14326	1.0
203.18106	1.1
207.13814	1.2
208.12363	1.4
209.13318	3.6
211.14842	10.6
213.16389	18.9
215.14351	2.5
215.17950	5.5
217.15849	1.1
219.13824	2.6
221.13248	1.6
223.14919	5.7
225.16406	5.0
227.18025	4.9
229.15918	2.0
231.13911	1.5
231.17432	1.4
233.13258	2.1
233.15434	1.7
235.14737	2.1
237.16447	3.8
239.17900	2.8
241.19554	2.1
245.15396	5.1
247.14828	1.9
249.16402	2.4
251.17987	3.9
253.19574	2.8
259.16986	1.8
261.16360	1.9
265.19604	4.3
271.06052	3.1
277.19467	2.3
279.21173	3.3
280.21811	2.4
281.22736	3.3
283.17059	1.5
291.21155	2.5
293.22559	2.1
297.18585	1.5
299.20221	1.8
303.21078	1.4
305.22708	1.5
311.19879	1.0
317.22693	3.4
325.21576	2.8
331.24371	1.7
339.23230	3.9
345.25864	1.8
347.27420	1.3
363.22873	1.6
377.24893	1.3
387.30521	18.5
391.26242	1.6
405.31699	4.8
415.29843	6.0
433.31055	100.0
434.31372	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.3
54.39108	3.4
55.01870	8.9
55.05521	17.8
57.03438	5.6
57.07080	5.7
61.30703	3.9
65.03944	4.1
67.05510	31.6
69.03426	24.2
69.07072	37.1
71.04996	15.6
77.03957	3.9
79.05505	30.4
81.03414	29.2
81.07063	81.1
83.04986	21.4
83.08621	11.7
85.02912	24.4
85.06548	8.8
91.05476	33.6
93.07047	63.4
95.04964	24.8
95.08615	63.5
97.02894	25.0
97.06539	22.4
99.04468	21.8
101.65057	4.7
102.21873	3.8
103.05473	4.6
105.07029	72.0
107.04966	9.2
107.08596	55.9
109.02887	16.0
109.06515	25.4
109.10172	30.5
111.04459	4.2
111.08087	21.2
113.06035	5.5
115.05456	4.7
117.07035	12.8
119.08589	75.7
121.06512	54.1
121.10153	30.3
123.04459	9.5
123.08083	9.0
123.11711	12.0
124.07574	4.8
125.05989	16.8
127.03912	23.6
127.07594	10.3
128.06219	6.5
129.06981	14.6
130.07782	6.7
131.04932	4.2
131.08577	32.0
133.06480	6.5
133.10146	62.0
135.08083	14.8
135.11723	11.0
139.07541	18.4
141.06914	3.9
142.07816	8.8
143.04901	3.8
143.07057	14.7
143.08557	28.1
145.06506	4.8
145.10123	64.9
147.08080	9.7
147.11693	56.9
149.09631	7.4
149.13289	13.7
151.11198	11.2
153.09184	4.4
155.08580	17.4
156.09338	16.1
157.08661	10.5
157.10138	56.3
158.10956	5.2
159.06573	4.0
159.08032	6.4
159.11708	50.6
161.13274	24.8
163.07547	4.7
163.11142	5.1
163.14812	6.0
165.06956	4.8
165.12804	12.9
166.34346	3.5
167.07028	6.2
167.08444	5.1
167.14325	12.3
169.10161	15.2
169.12227	21.4
170.07259	4.1
170.10899	13.8
171.11697	37.5
172.54709	4.7
173.13202	22.2
175.11211	33.6
175.14882	19.3
177.09138	5.5
178.32138	4.3
181.04933	22.5
181.10197	11.3
182.10834	6.3
183.11665	21.9
184.12518	5.7
185.13190	31.9
187.06006	8.3
187.14828	52.6
189.12743	18.3
189.16397	11.9
191.10611	4.9
193.08595	4.2
193.12259	35.5
195.11760	11.3
196.12355	8.3
197.13266	25.8
199.11156	27.1
199.14838	29.3
201.12912	5.8
201.16377	22.1
203.17973	10.6
205.07022	5.3
207.06467	5.4
207.11829	5.4
207.13837	12.7
209.13322	10.2
211.11215	6.3
211.13045	28.5
211.15111	23.8
213.16405	22.0
215.17973	11.2
217.12253	68.8
221.08064	8.2
221.13261	5.1
223.14951	7.2
225.16449	12.3
227.14270	4.7
227.17805	8.1
229.14343	12.2
235.13258	58.1
237.16400	4.8
239.17847	6.0
253.14369	57.3
265.19528	5.8
271.06082	67.7
271.15390	5.9
275.17972	5.4
283.05844	4.9
291.21085	6.8
311.20148	11.5
329.21259	4.1
387.30603	22.2
389.11880	18.8
397.18817	8.4
405.31845	4.3
433.10883	51.3
433.21844	7.7
433.31088	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	433.1493
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
51.62509	0.4
53.03940	1.5
55.01872	1.0
65.03947	7.2
67.03268	0.5
67.05510	2.9
68.99792	0.6
69.03425	2.5
70.18126	2.1
70.33388	0.4
70.72127	0.5
70.96532	0.4
72.08183	0.6
77.03912	0.6
78.04719	0.5
79.05499	7.2
81.03410	1.5
82.04206	2.8
84.82607	0.5
85.02914	6.5
86.09699	1.1
91.05477	0.7
93.03407	2.2
95.04979	5.8
97.02885	2.1
97.03452	0.4
97.06520	2.8
99.04462	1.3
103.03937	1.5
103.05460	0.6
105.04510	0.6
105.07049	6.0
106.52168	0.4
107.04969	16.5
107.05706	0.9
108.02110	1.5
108.62250	0.4
109.02857	0.7
109.06612	0.5
110.03692	3.7
111.04430	1.1
115.05436	1.5
121.06537	0.5
123.04432	5.3
124.05244	2.5
125.06004	3.7
127.03925	30.1
128.04169	0.6
131.04951	0.6
132.05730	0.5
133.06500	7.5
137.05931	0.8
138.03143	1.6
139.07533	0.7
140.04701	1.2
142.02615	3.1
143.04912	0.6
145.04913	0.8
145.06482	1.4
147.04417	0.7
152.04616	1.0
153.05449	3.2
155.07048	2.3
160.62532	0.5
161.06001	10.1
165.06966	0.6
167.07059	20.3
171.06560	4.9
178.06311	1.0
181.04968	100.0
182.05310	1.2
183.06590	2.6
189.05443	1.7
191.07077	0.8
193.08620	11.9
205.08606	0.6
206.05806	1.1
207.06660	0.7
221.08104	28.6
222.08545	0.6
233.08080	1.5
249.07614	15.2
265.08609	0.6
271.06085	3.5
293.07910	0.7
299.09006	0.5
309.07742	0.6
314.07751	0.8
329.10184	0.6
342.10873	0.9
358.10471	0.6
372.11990	0.9
393.56107	0.5
397.46240	0.5
403.13901	57.6
404.14154	1.7
415.13864	1.5
433.14810	4.0
434.15356	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	433.1685
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
53.46958	0.4
64.32101	0.5
64.50047	0.5
69.03435	0.8
69.07071	0.6
70.06578	1.7
71.11086	0.9
72.08159	3.2
81.03406	0.7
84.04531	0.5
85.02898	1.1
86.09715	5.1
90.06577	0.5
97.02904	1.1
101.09285	0.5
107.04964	0.7
109.02849	0.7
124.03960	0.6
127.03940	0.7
133.74832	0.5
134.05957	0.7
155.01866	0.5
156.60678	0.5
159.58667	0.5
167.07065	0.8
181.04932	2.6
187.10843	0.8
201.12448	0.7
203.04018	0.5
205.11893	0.7
221.05092	2.4
221.08080	0.7
224.36313	0.5
229.11771	0.7
234.02136	0.6
235.02464	0.9
271.06128	1.1
301.12634	3.5
403.13873	1.7
433.16815	100.0
434.17102	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	433.1133
Annotation	Luteolin 3'-methyl ether 7-xyloside
Peak:m/z	Relative Intensity
50.74087	0.6
53.03972	0.6
55.01889	1.2
57.03446	0.8
58.54167	0.5
61.02939	0.7
62.55711	0.6
65.03963	0.7
67.05525	0.8
68.99834	0.8
69.03461	1.3
69.07060	0.7
69.30006	1.3
69.30404	5.3
71.05022	0.6
79.01868	0.9
79.05556	0.7
81.03451	1.3
81.07061	0.6
82.46332	0.6
84.08147	4.2
85.02912	3.3
86.09724	0.5
91.05511	1.7
93.07079	0.8
95.04983	0.8
95.08639	0.5
97.02955	1.6
103.04002	0.7
107.05002	0.8
109.02922	2.0
109.06524	0.5
111.45929	0.5
114.81759	0.5
119.04961	3.4
121.02881	12.3
121.03691	0.8
124.07612	1.3
125.02507	0.5
131.35883	0.6
136.07626	1.6
141.01888	1.5
145.02841	3.3
147.04448	1.0
149.02365	1.9
153.01772	0.6
163.03880	3.4
164.07120	1.3
165.01843	13.1
165.07498	0.8
167.03409	2.9
167.07031	1.1
177.01897	1.5
181.04991	3.0
181.06361	0.5
183.02907	4.5
185.11827	1.0
187.03934	1.7
189.01814	0.9
191.03497	1.7
195.02936	2.0
203.03485	0.8
205.04977	1.2
211.07631	0.8
213.05550	0.8
227.16420	1.2
229.04962	1.5
233.04567	1.0
239.06947	1.2
242.05763	0.6
243.02979	1.7
243.06557	1.2
255.06540	3.0
256.07422	2.8
259.06000	0.9
261.04062	1.4
266.05597	0.7
267.06516	6.4
269.04361	0.6
270.05270	3.0
271.06082	6.5
271.08771	0.9
279.06555	1.7
281.08066	5.5
283.06036	100.0
284.06754	20.1
285.07416	1.3
295.06088	13.9
295.09604	2.4
297.07587	7.8
305.07901	2.9
307.05951	2.0
308.06683	2.8
309.04044	1.4
309.07584	17.9
311.05435	2.0
313.07077	75.2
314.07443	2.1
321.07709	3.1
323.05914	0.9
323.09171	18.6
325.07056	1.5
333.07538	2.5
337.07080	35.0
343.08231	1.6
349.07065	9.2
351.08643	5.2
361.03070	0.7
361.07138	8.3
367.08157	22.0
379.08163	16.9
389.17953	1.5
397.09238	22.7
397.30600	0.8
398.09537	0.7
403.13803	0.6
415.10272	21.8
433.11218	20.0
433.16138	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	433.1133
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.03428	0.3
61.02931	0.3
64.39162	0.2
67.01875	0.6
68.99799	0.3
69.03427	0.7
69.48290	1.0
69.48718	0.6
70.79481	0.2
81.03413	0.4
84.08128	0.4
85.02909	2.4
86.09702	0.3
91.05476	0.8
97.02892	0.8
107.48238	0.2
119.04948	2.5
121.02876	0.9
124.07566	0.2
127.03947	0.4
145.02831	0.6
145.04953	0.4
153.01846	5.4
163.03894	0.4
171.02916	0.4
196.24303	0.2
198.57626	0.2
229.04912	0.4
243.06548	0.4
271.06027	100.0
272.06314	2.1
283.05948	0.9
313.07056	0.8
415.10315	0.2
433.06036	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	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.04924	0.1
65.03946	0.1
67.01864	0.4
67.05500	0.1
67.62965	0.1
68.99778	0.3
69.03419	0.1
71.41772	0.1
79.05483	0.1
81.03382	0.1
81.07039	0.1
84.08146	0.1
84.81853	0.1
85.02905	0.2
91.05489	0.4
92.55457	0.1
93.07060	0.1
94.90028	0.1
95.04993	0.1
95.08598	0.1
97.02910	0.1
107.08585	0.1
109.02885	0.1
119.04948	2.0
120.08096	0.2
121.02863	0.6
127.03865	0.1
129.01839	0.1
131.04857	0.1
136.07593	0.1
145.02832	0.7
148.07564	0.4
153.01830	5.0
163.03929	0.5
167.06960	0.1
169.06494	0.1
171.02898	0.6
176.67813	0.1
181.04980	0.3
185.11731	0.1
185.15355	0.1
187.03925	0.2
197.06044	0.1
203.07011	0.1
225.05484	0.4
229.04982	0.2
243.06577	0.4
247.06071	0.2
252.08757	0.2
271.06003	100.0
272.06339	2.0
307.89841	0.1
333.66492	0.1
403.13501	0.1
433.10721	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	431.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07743	1.8
55.05510	6.3
57.07079	22.9
67.05514	5.1
69.07072	8.0
69.68832	11.4
71.08643	15.8
76.22597	1.6
81.07055	6.8
83.04987	4.1
83.08628	6.9
85.10176	9.4
91.05448	4.6
93.07058	6.8
95.08612	12.3
96.42456	1.7
97.10193	3.4
105.07043	3.2
106.09142	1.8
109.06532	5.5
109.10155	5.0
111.11705	2.9
118.55227	1.9
119.08583	2.3
119.75077	1.8
121.06541	4.1
123.11744	2.4
137.05969	15.9
139.07518	4.7
147.08057	4.5
149.05972	4.9
151.07556	35.4
159.08052	2.6
161.05997	3.7
161.09630	2.1
165.05469	11.3
165.09128	13.5
166.09462	2.5
167.07057	100.0
175.07553	7.2
177.09119	7.6
179.07037	6.1
179.10727	2.5
181.08571	2.0
189.09129	6.4
191.07141	2.1
191.10680	2.2
193.08589	11.1
195.10280	3.2
203.10693	7.9
207.10139	9.2
217.12300	4.8
221.11763	6.9
231.13983	3.0
235.13350	4.0
296.70145	1.8
403.35855	2.2
413.34113	5.4
431.35074	39.2
437.72687	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	432.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
51.29231	0.4
53.03940	1.2
62.06101	0.4
65.03921	0.7
67.05507	0.6
69.03437	3.5
69.75880	2.9
74.80846	0.4
78.03462	6.0
80.05033	0.8
81.03425	5.5
83.62536	0.4
84.08139	0.8
85.02921	2.4
85.08427	0.5
91.05489	9.3
93.07065	0.6
95.04994	1.1
96.04502	2.8
97.02902	2.1
99.04467	0.8
106.02208	1.0
106.02928	20.6
108.15589	0.4
109.02886	3.6
119.04952	21.9
120.58255	0.4
121.06513	8.6
123.04436	6.3
124.03966	38.1
127.03906	2.5
136.07571	1.4
137.07922	0.7
145.05101	0.5
147.04422	100.0
148.04808	1.2
164.07062	1.4
165.05530	1.5
165.07455	0.7
166.05019	1.0
191.13109	0.5
202.05016	0.6
242.64639	0.5
250.07106	8.4
250.09511	0.8
268.08182	20.5
271.05881	0.4
275.19287	0.4
338.37939	0.5
343.51044	0.5
414.11987	2.6
414.16422	0.5
414.87094	0.6
432.13010	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	432.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	47.6
69.03429	1.8
70.06600	2.2
71.57230	1.1
71.57591	0.9
71.95255	0.9
72.08171	1.0
72.96043	4.8
74.97612	0.8
81.03430	0.9
82.98137	0.9
83.97650	1.3
84.08134	1.7
84.96026	2.6
85.02898	2.8
86.09711	7.6
93.07053	1.2
97.02899	2.2
97.99171	0.9
98.97575	4.6
110.97583	2.0
114.06301	0.8
116.00204	1.0
116.98621	3.5
121.06515	6.4
122.06853	3.1
126.02250	2.1
127.03906	1.2
128.98598	2.8
130.93332	1.5
132.10284	1.7
134.99617	0.9
136.06190	3.3
140.03844	3.9
142.05396	3.1
144.03329	2.1
146.99635	1.4
147.04388	0.9
158.04875	9.4
160.06458	13.4
170.04823	5.2
171.03311	2.1
172.94377	1.3
176.05966	3.3
177.00781	1.2
178.07533	2.8
188.05946	10.6
189.00894	0.9
189.04385	16.5
190.95473	2.1
197.06746	0.9
206.07010	22.9
207.05394	7.7
216.98747	2.4
219.01828	1.8
220.08667	0.8
224.08092	25.2
228.04185	0.8
229.08594	1.4
235.51830	1.0
248.95819	1.0
252.07707	1.8
253.06033	1.2
260.99396	1.0
270.08765	2.8
298.24191	0.9
301.14343	19.6
301.17618	1.5
302.12738	2.1
319.15424	100.0
320.15771	1.8
330.07175	1.7
333.16934	1.5
337.16425	11.9
342.07449	1.1
342.16992	4.9
354.98553	0.9
432.24356	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	431.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56544	0.2
67.01864	0.6
67.05492	0.5
68.99812	0.4
69.03446	0.1
69.07059	0.2
69.23722	0.3
69.24120	1.3
79.05491	0.3
81.03438	0.1
81.07061	0.3
82.27660	0.1
85.02914	0.3
86.06074	0.3
86.09719	0.1
91.05486	0.9
93.07046	0.6
95.04928	0.2
95.08605	0.5
97.02912	0.2
97.06532	0.2
98.09693	0.2
99.04434	0.1
105.07043	0.4
107.08598	0.4
109.02861	0.3
109.10206	0.1
115.05431	0.2
116.10735	0.7
117.06997	0.2
117.11066	0.2
119.04958	2.5
119.08588	0.5
121.02881	0.8
121.10133	0.5
123.08036	0.3
127.03905	0.2
131.08604	0.2
133.10141	0.3
136.07603	1.7
137.44490	0.1
145.02847	0.6
145.10141	0.4
147.08066	0.1
147.11694	0.3
152.07083	0.5
153.01846	5.7
157.10161	0.2
159.11722	0.2
163.03941	0.7
164.07101	1.7
171.02914	0.4
171.11720	0.3
173.13260	0.4
175.14919	0.2
183.11829	0.1
185.13304	0.2
187.04002	0.2
192.23102	0.1
195.11693	0.2
199.14839	0.3
203.07130	0.2
213.16228	0.2
225.05431	0.3
229.05023	0.4
234.12186	0.2
243.06569	0.3
271.06030	100.0
272.06396	2.6
287.14059	0.1
308.07303	0.1
316.21146	0.5
317.21432	0.7
385.28952	0.3
418.20554	0.1
431.09763	2.9
431.21704	0.2
431.29459	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	430.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
56.05038	0.5
57.03424	0.4
58.20289	0.3
60.26796	0.3
67.05508	0.5
69.03430	1.3
69.07072	9.5
70.06589	1.5
71.59234	0.3
72.08170	1.6
81.03430	2.2
81.03838	0.4
81.07076	0.4
84.08147	0.4
85.02915	1.8
86.09711	100.0
87.10049	1.0
91.05466	0.4
97.02904	2.2
97.80675	0.3
99.04459	0.6
105.07034	0.7
109.02883	3.3
116.98701	0.4
117.07063	0.3
121.02913	0.7
124.03960	0.9
127.03935	2.2
127.35307	0.3
130.08662	0.4
132.10222	2.8
133.10162	0.8
136.07584	0.5
136.44234	0.4
137.02316	0.5
147.04445	1.1
148.09593	0.4
161.09641	0.6
164.10558	0.5
173.04532	0.4
182.08188	1.2
214.51892	0.3
220.09955	0.4
230.13887	0.5
240.12250	0.4
258.13403	3.9
268.08310	0.5
271.15405	0.6
276.14337	1.5
289.16513	0.8
298.14609	0.4
387.16373	0.5
412.16479	0.4
430.17676	2.3
430.70148	0.3
431.15271	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	430.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01143	1.6
67.05513	2.4
69.48476	9.4
73.04753	2.5
77.00607	19.1
81.07061	2.5
89.06028	12.2
91.05802	3.8
93.07064	1.9
95.01649	69.5
95.08598	2.4
101.04250	2.7
105.07058	2.7
113.00023	3.8
113.02688	1.9
115.98849	1.6
118.03236	7.8
121.03180	4.8
132.58563	1.4
133.08604	4.6
145.06819	15.8
147.04730	25.2
159.53854	1.3
159.56146	1.3
165.05782	3.0
169.02533	3.2
189.09416	7.9
191.07358	6.9
233.12050	100.0
234.12331	2.2
239.09462	3.3
242.49606	1.4
259.30228	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	430.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
56.96563	0.5
57.03436	0.3
61.02926	0.5
69.03432	1.3
69.96880	0.2
69.97297	0.5
70.06593	0.2
73.02912	0.4
73.04778	0.2
81.03425	0.4
85.02911	2.8
91.05795	0.1
94.04047	0.6
97.02909	1.1
98.97586	0.5
101.51954	0.1
109.02890	0.4
110.97591	0.2
112.05061	0.2
115.04044	0.2
116.98614	0.3
119.03555	1.5
127.03928	0.5
127.14977	0.2
128.98672	0.2
133.05003	0.3
136.06198	100.0
137.04655	0.9
137.06523	0.6
145.05006	0.6
182.08142	0.3
219.01773	0.2
230.95059	0.2
237.03026	0.2
248.96107	0.2
268.10394	2.0
290.96634	0.1
348.07120	0.2
351.07822	0.1
414.17084	0.2
430.15741	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	430.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46867	0.9
53.03955	8.2
53.66808	0.9
55.01875	10.7
57.03437	6.3
60.04524	1.6
61.02925	6.7
68.99777	4.3
69.03075	2.0
69.03435	33.7
69.42549	6.3
69.42970	2.4
71.04990	4.6
73.02929	9.9
81.03426	33.8
83.01357	1.0
85.02911	100.0
87.00839	36.7
91.03951	3.3
95.44973	0.9
97.02895	37.7
97.09515	0.9
98.06052	1.5
99.04469	16.9
105.01878	34.1
105.07059	1.0
108.04488	10.3
109.02136	2.0
109.02885	38.8
112.91299	1.0
115.03873	1.4
117.01873	6.4
117.02583	0.9
126.05524	3.8
127.03925	80.2
129.01851	4.1
137.05948	3.5
145.04970	46.5
146.05313	1.2
147.02884	5.6
150.03232	0.9
159.02899	31.1
165.09148	2.0
171.02820	1.1
177.03964	2.4
187.07509	1.0
189.03879	2.2
189.09152	5.0
213.03975	5.4
230.06645	4.9
231.04994	15.9
231.10187	2.0
248.07576	5.5
249.06111	1.5
255.10185	1.0
266.08817	1.1
273.11285	2.2
389.25024	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	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05511	3.3
57.07083	17.1
67.05513	5.1
68.50989	0.7
69.07070	5.4
71.08282	1.0
71.08640	12.6
79.05495	2.0
79.77462	0.6
81.07063	7.5
83.04988	0.7
83.08609	2.9
85.10188	6.1
91.05486	1.9
93.07034	2.9
95.08614	7.8
97.10139	1.6
98.21542	1.1
105.07021	2.1
107.08593	5.9
109.10171	6.0
111.04449	1.1
111.11745	1.0
114.41165	0.7
117.07028	0.8
119.08586	3.9
121.06486	1.6
121.10169	4.3
122.07297	1.5
123.08076	1.4
123.11726	0.9
127.42819	0.6
131.08571	2.9
133.10139	1.4
135.08069	6.0
135.11699	2.2
137.09637	10.4
137.13335	0.6
139.07536	2.2
145.10121	1.8
147.11774	0.7
149.09636	17.1
149.13315	0.8
151.07552	1.2
159.08063	1.2
159.11722	3.3
160.08859	1.3
161.09633	0.7
162.06772	1.4
163.11206	20.2
164.08389	2.2
165.09132	100.0
166.09460	1.3
172.08810	1.0
173.09676	2.5
173.13300	2.3
174.10530	0.9
175.11166	5.9
176.08380	3.0
177.09135	10.2
177.12773	2.2
179.10721	1.7
186.10487	1.1
187.11169	3.4
187.14838	1.0
189.09186	0.8
189.12811	2.7
190.09856	1.7
191.10687	10.0
201.12790	2.5
203.10689	2.8
203.14429	1.0
204.11487	0.9
205.12253	12.1
215.14363	1.8
219.13777	4.6
233.15347	1.5
247.17036	1.0
261.18399	0.9
275.19940	1.2
289.21677	1.8
303.23264	1.3
317.24677	1.5
322.30472	0.7
345.27808	0.9
359.29315	0.7
373.31180	1.3
401.34106	2.2
411.36472	1.7
429.37311	37.7
430.37979	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	429.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44130	0.2
65.03946	14.2
67.05494	0.6
67.27547	0.2
69.03445	0.2
69.60772	1.4
70.06583	0.3
77.03916	0.2
78.03456	0.5
79.05515	0.5
81.03416	0.4
81.07047	0.2
84.08131	0.3
85.02906	0.6
86.09695	0.5
87.00802	0.2
89.03927	0.2
91.05474	0.4
92.05010	6.3
93.05804	0.3
93.07055	1.0
94.06574	1.7
95.07366	0.5
97.02906	0.3
98.20758	0.4
103.05458	0.2
105.01890	0.2
105.07026	0.2
106.06548	0.5
107.08544	0.3
108.08122	3.6
109.02869	0.3
110.06008	0.3
116.04968	0.8
117.59793	0.2
118.06547	0.8
120.03611	0.4
120.04478	8.8
120.08115	2.2
121.02826	0.3
122.06037	6.5
124.07611	0.3
127.03910	0.3
132.08090	0.3
132.55643	0.2
134.82692	0.2
136.03873	0.2
136.07585	9.8
138.05515	0.7
138.09099	0.5
144.04453	1.2
144.08110	0.2
146.06027	1.8
148.03941	100.0
148.07559	5.5
149.04286	1.5
152.07077	0.3
158.09622	0.3
162.05550	1.3
164.07014	0.3
166.05014	27.8
167.05342	0.4
167.07396	1.1
169.08849	0.2
172.03952	3.2
172.11200	0.2
174.05487	1.2
181.08789	0.4
182.09619	1.0
183.09177	0.9
184.09985	1.8
186.09184	1.0
190.05005	13.2
191.05281	0.3
194.08385	0.5
196.09947	0.3
197.10771	0.7
198.11542	0.8
199.12311	1.9
200.10721	0.3
201.13960	0.3
209.10791	1.2
210.09174	0.7
210.11383	0.2
211.08661	0.6
212.09497	1.8
214.08658	0.5
222.07736	1.0
225.10210	0.8
226.11038	1.2
227.11821	5.1
228.10201	0.5
229.13359	0.5
234.07620	2.4
237.10225	0.4
238.08716	0.3
240.08975	0.9
243.11339	0.3
252.08701	0.4
253.09593	0.2
254.10474	0.7
255.11304	19.9
256.11569	0.5
257.12900	1.3
259.10873	0.3
273.12347	2.3
282.09906	0.3
283.10782	66.5
284.11157	2.1
297.12302	1.0
301.11850	15.5
302.12057	0.5
307.10828	0.7
315.13568	0.2
325.11838	6.9
341.11270	1.8
343.12823	1.3
359.12360	0.6
369.10840	44.1
370.11188	1.4
387.11887	19.4
388.12149	0.4
397.69812	0.2
401.13562	0.3
405.12625	0.4
429.17398	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	428.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01865	1.7
55.05515	7.6
56.05022	2.6
57.03444	1.1
57.07062	2.7
60.04528	81.5
67.05504	13.3
68.05036	0.7
68.92635	0.7
69.06789	0.7
69.07072	6.6
70.06586	1.1
70.93466	1.3
70.93811	1.2
71.04974	1.1
71.08621	1.1
72.04498	2.3
74.06055	1.0
79.05493	10.2
80.05013	1.8
81.03421	1.4
81.07059	11.6
82.06118	1.2
82.06585	17.3
83.04977	2.2
83.08628	7.8
85.02884	1.1
85.06528	3.1
87.08114	1.2
90.94325	0.7
91.05499	8.1
93.07047	17.7
94.06569	19.9
95.04977	16.0
95.08611	7.1
96.08127	3.7
97.06523	2.2
97.10172	2.3
98.09710	6.5
99.08126	0.7
99.80421	0.8
100.07620	1.0
103.05466	3.2
108.08099	4.1
109.06508	2.3
110.06019	3.5
110.09680	12.1
111.08070	3.5
112.07599	2.2
113.00018	3.6
120.08110	9.0
121.06498	9.1
126.09158	13.4
128.10703	1.8
138.09142	51.9
139.07558	8.6
144.10194	1.0
156.10205	32.5
169.02621	2.5
174.11270	10.2
187.44461	0.7
198.02243	0.9
266.24850	1.5
272.25815	3.1
300.28168	0.8
313.83960	0.9
314.26984	2.4
392.31464	2.7
408.43231	0.8
410.32648	34.6
411.32883	1.4
428.33691	100.0
429.34113	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	428.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73473	0.9
51.08535	0.8
57.03437	7.0
57.49974	0.8
58.00554	0.9
61.02922	1.9
69.03436	16.3
69.70490	2.0
69.70882	2.8
70.06602	6.5
71.05001	24.9
72.08163	1.8
73.02918	8.2
73.06544	2.4
73.33762	0.8
81.03427	2.3
84.08128	1.6
85.02907	13.8
86.09717	2.2
87.04462	7.0
92.84369	1.0
97.02892	15.2
99.08096	33.9
102.10702	1.0
109.02861	1.0
115.03939	13.8
116.07123	0.8
117.09140	100.0
118.09467	1.0
127.03899	3.5
133.04970	13.3
145.04988	2.7
147.04427	2.3
150.07707	4.0
151.08176	0.9
161.15218	1.0
162.12817	3.5
163.03954	5.3
165.62776	0.8
177.05580	1.2
180.13918	2.5
187.09634	0.9
210.37794	0.9
257.15399	1.0
259.08041	1.4
359.03134	1.4
428.14624	1.2
428.19714	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	428.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21955	0.9
53.03944	1.2
55.01867	2.4
55.05516	7.3
56.05027	2.0
57.07058	2.6
60.04529	77.2
63.88996	1.0
67.04244	1.7
67.05508	16.2
69.07079	7.6
71.08632	2.0
71.60067	1.5
72.04507	2.1
73.58985	1.1
74.06070	1.9
76.80735	1.0
79.05499	8.4
80.05013	1.7
81.07060	15.1
82.06587	19.0
82.14684	1.0
82.70269	0.9
83.04961	2.3
83.08614	7.9
85.02887	1.2
85.06529	2.0
85.71072	1.0
91.05476	6.2
93.07048	19.4
94.06575	19.0
95.04976	15.9
95.08611	9.9
96.08141	2.4
97.06526	1.8
97.10175	2.7
97.87832	1.0
98.09719	5.1
99.08089	1.1
99.33035	1.1
103.05471	4.5
105.07005	2.2
107.08578	4.4
108.08098	4.5
108.08785	1.3
109.06506	3.4
109.10126	3.5
110.06046	2.6
110.09694	10.2
111.08083	3.2
111.11700	1.1
112.07584	2.7
113.05983	1.3
119.08552	2.5
120.08118	8.7
121.06529	7.7
121.10139	3.0
122.10509	1.4
126.09153	11.8
133.10120	1.2
135.11707	1.4
138.09149	49.7
139.07527	5.7
144.10162	1.4
145.10176	1.6
149.13194	1.5
150.53664	1.1
156.10211	33.6
157.08589	1.5
159.11713	1.1
174.11272	9.4
176.14964	1.1
188.15218	1.6
205.15784	1.3
231.62044	1.1
249.81467	1.0
266.24741	1.5
272.25845	3.7
314.26822	3.1
345.95932	1.1
380.31509	1.2
392.31464	3.0
410.32553	32.7
428.33661	100.0
429.33798	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	428.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.05507	5.6
57.03440	42.0
61.02927	19.6
67.14378	3.5
69.03429	49.8
70.06603	20.7
71.01376	3.6
71.59051	5.5
72.08154	8.3
73.02922	81.5
74.06126	4.1
77.92744	3.7
79.05501	18.2
81.03407	10.9
81.07063	100.0
84.04490	4.4
84.08144	10.3
85.02420	6.7
85.02906	93.7
86.09712	4.3
87.04486	5.3
93.07056	4.3
95.08585	5.8
97.02905	70.3
99.04453	9.1
99.08105	7.4
107.04918	4.2
109.02879	10.8
115.03937	53.7
117.21890	4.9
119.04902	4.5
127.03938	42.6
133.04962	14.7
136.06177	11.9
145.04974	39.1
146.08086	3.9
150.07777	4.3
162.12802	15.8
163.03859	8.0
163.06036	13.8
177.09117	6.3
181.66780	3.6
193.04912	5.0
195.10115	6.0
198.96904	17.1
213.11246	3.9
216.97995	13.6
226.57603	3.7
241.07106	7.2
243.12242	6.1
259.08118	10.3
295.10312	11.2
359.02878	6.4
428.15530	6.8
448.68857	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	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03950	3.4
55.05510	18.2
57.06815	2.2
57.07068	12.7
65.03924	3.1
65.85171	2.2
67.05511	26.9
69.07070	37.7
71.19775	4.1
71.20093	2.9
79.05496	21.9
79.80341	2.7
81.00045	2.2
81.07061	82.8
83.08634	14.5
85.06587	2.7
90.30383	2.7
91.05487	14.3
93.07055	48.1
95.08617	100.0
97.10181	11.4
101.45235	2.5
105.07041	21.7
107.08600	86.7
109.10164	81.4
111.11723	5.8
119.08591	26.0
121.10146	55.6
123.08105	7.2
123.10839	3.7
123.11717	45.4
131.08575	4.1
133.10127	19.8
135.11693	51.6
137.13274	14.5
145.10106	4.4
147.11682	22.3
149.09586	2.5
149.13272	50.1
151.14850	4.5
159.11696	6.9
161.13266	23.9
163.14821	32.2
165.09102	8.6
172.54594	2.4
173.13283	4.3
175.14821	10.1
177.16415	6.3
179.14337	21.0
187.14835	5.3
189.16351	13.7
191.17947	45.1
203.17909	22.2
205.19540	14.7
207.17444	9.5
215.17960	5.8
217.19580	14.9
219.21149	10.8
245.22714	3.1
346.25311	3.3
373.97955	2.7
396.63623	3.4
404.31564	2.8
409.38403	24.4
427.28543	18.4
427.33984	4.1
427.39502	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	428.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.6
57.03455	2.4
57.46393	1.9
57.67825	2.1
61.02936	2.3
67.01903	2.1
67.81613	1.7
68.99781	3.1
69.03436	29.1
69.41553	11.9
71.01322	2.2
73.02903	4.6
74.21387	2.0
79.08287	2.1
81.76799	1.7
83.01321	2.4
85.02918	6.1
85.55742	1.7
87.00837	16.2
87.04472	2.9
97.02900	100.0
101.02390	12.2
105.01888	5.1
105.07025	3.5
113.02389	8.6
115.03925	13.3
124.05246	7.2
125.02370	47.9
129.01895	3.6
131.04985	2.4
133.06577	2.0
137.06003	8.1
142.88356	1.9
143.03415	50.1
148.05197	4.0
150.06834	6.4
159.02887	3.3
161.04469	17.4
161.09724	2.4
165.09106	17.4
174.06926	2.3
175.07603	3.6
187.07535	7.7
189.09123	31.3
196.98267	2.0
211.02414	5.3
215.06908	2.5
215.10626	3.8
217.08653	2.3
229.03412	10.0
243.10269	4.7
247.04541	19.7
247.09555	2.5
269.00916	2.3
271.09659	3.9
289.10672	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	427.3939
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03942	3.3
53.69779	2.6
55.05510	21.7
57.07075	7.2
58.24753	2.0
67.05507	34.5
69.03436	4.2
69.07075	42.1
69.49522	5.2
69.49931	13.7
71.04999	4.2
71.08652	2.8
79.05504	20.9
81.06580	4.1
81.07062	84.9
82.07397	2.6
83.08631	20.5
85.71947	2.8
91.05478	15.1
93.07053	51.9
95.04994	5.1
95.08615	100.0
97.06551	3.4
97.10166	11.3
105.07038	34.2
107.08605	68.2
109.06518	3.2
109.10166	66.3
111.08114	4.4
111.11741	6.9
117.07008	2.7
119.08586	42.1
121.10156	52.3
122.09624	2.3
123.08159	3.6
123.11718	38.3
125.09647	3.9
129.07048	2.5
131.08585	10.0
133.10141	32.4
135.11711	40.0
137.09657	3.3
137.13258	19.5
139.11192	5.3
143.08549	5.3
145.10147	14.2
147.11705	28.4
149.13272	31.6
151.07555	4.3
151.11259	3.6
151.14824	4.5
153.12787	4.2
157.10132	4.5
159.11702	16.1
161.13264	24.9
163.14856	31.3
165.16464	3.7
173.13274	9.0
175.14830	14.1
177.16428	14.7
181.15854	10.9
185.13324	5.0
187.14902	12.8
189.16379	12.9
191.17975	15.5
193.19611	2.8
201.16400	18.6
203.17964	27.5
205.15865	13.0
205.19545	8.7
207.17468	9.9
213.16377	3.7
215.17935	4.7
217.19542	6.8
219.17442	20.6
219.21049	5.1
221.19107	3.1
227.17856	2.8
229.19633	7.2
231.21104	5.0
237.18620	3.1
245.22398	3.3
257.22723	5.0
271.24246	3.0
275.23795	2.8
331.26608	3.6
357.27621	3.2
409.34131	30.2
409.38574	7.5
427.34644	41.6
427.39789	24.6
428.35809	3.0
452.59232	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	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93266	3.8
54.57375	3.5
54.90283	3.5
55.05500	14.4
56.91454	4.3
57.07076	5.8
59.06128	4.6
66.84238	3.5
67.05506	28.9
69.07075	28.5
70.48626	9.1
70.49030	6.7
73.74091	3.6
79.05508	26.8
79.05878	4.8
81.07063	53.9
83.08617	12.7
85.06550	8.8
91.05493	25.4
93.07048	63.3
95.05009	7.6
95.08047	6.1
95.08618	94.0
97.06534	4.6
97.10190	10.6
98.21440	4.0
99.08067	5.5
105.07046	51.4
107.08597	81.4
109.06577	6.2
109.10164	52.4
111.08068	5.1
112.99998	5.1
117.07008	7.3
119.08587	75.3
121.09304	5.9
121.10158	77.0
123.11691	21.8
125.09660	4.7
129.07021	5.0
131.08563	16.6
133.10143	90.7
135.08064	100.0
135.11694	47.8
137.09642	7.2
137.13274	6.8
143.08582	6.5
143.24866	4.7
145.10112	36.0
147.11720	42.1
149.09630	8.1
149.13277	38.2
151.11195	6.8
157.10052	7.0
159.11729	28.5
159.19751	4.3
161.13243	29.3
163.11220	15.8
163.14821	26.9
165.09099	16.5
169.02577	5.9
171.11737	9.3
172.12279	4.1
173.13301	17.0
174.13934	4.1
175.11246	8.0
175.14848	27.2
177.12790	14.6
177.16362	24.0
185.13289	6.0
187.14847	28.5
189.12799	5.4
189.16394	29.1
190.13522	4.6
191.17981	13.9
193.81454	4.5
201.16396	20.8
203.18005	33.6
205.15868	27.6
205.19490	4.7
215.17973	9.4
217.19577	6.9
219.17468	15.9
229.19518	6.6
231.17375	5.2
257.22269	4.5
351.78946	4.5
397.34576	35.5
409.34811	43.7
427.35867	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	7-Oxostigmasterol
Peak:m/z	Relative Intensity
51.02383	1.6
53.03962	2.1
55.01839	2.1
55.05513	12.6
57.07064	5.3
58.03862	1.9
59.04974	2.1
67.05508	20.2
69.07072	22.5
70.42033	5.7
70.42384	2.5
71.08617	2.7
79.05492	21.1
81.07061	40.7
83.08624	12.3
85.02837	1.9
85.06547	5.7
91.05484	18.7
93.07051	42.9
95.04994	3.9
95.08613	58.3
97.02890	1.8
97.06514	3.6
97.10186	6.1
98.20826	2.0
99.08090	4.1
105.07034	27.7
107.08598	60.4
109.06522	3.4
109.10159	33.3
111.08070	2.4
111.11712	2.2
117.07017	3.9
118.26617	1.9
119.08587	42.4
121.06525	3.1
121.10147	39.2
123.08076	2.9
123.11705	14.2
124.08587	1.9
125.09604	2.5
131.08571	9.0
133.10143	49.7
135.08063	26.0
135.08998	2.5
135.11716	25.8
137.09621	8.1
137.13266	6.1
139.11111	1.9
143.08647	2.5
145.10126	19.6
147.11697	26.1
149.09654	7.6
149.13271	30.6
151.11215	2.4
151.14833	2.0
157.10168	5.0
159.11700	16.7
161.09636	3.3
161.13271	16.7
163.11192	8.9
163.14845	12.6
165.09120	55.1
169.02538	2.4
169.10260	2.1
171.11670	3.5
173.13286	11.0
175.11201	5.6
175.14835	14.8
177.09087	2.1
177.12840	3.9
177.16418	16.1
181.80453	1.8
185.13295	2.4
187.14783	12.2
189.12793	5.3
189.16386	22.9
190.13582	5.4
191.10770	2.0
191.14302	3.8
191.17970	7.6
193.15916	2.0
197.13272	2.0
199.14853	2.5
201.16391	14.0
203.17958	32.7
203.19739	3.2
204.15092	5.4
205.12383	4.1
205.15898	20.2
205.19543	5.3
207.17448	2.7
213.16476	2.8
213.98312	2.6
215.18100	5.1
217.19571	3.5
219.17516	7.2
223.16827	3.7
227.18199	1.9
229.19472	2.5
278.64655	1.7
397.34723	20.1
409.34799	24.6
427.35776	100.0
428.36020	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	427.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
54.80734	1.4
55.05514	11.2
57.03436	2.1
57.07069	3.7
67.05517	15.7
69.03435	3.8
69.07067	15.2
79.05488	12.3
81.03414	2.3
81.07066	34.0
81.49983	1.5
83.04946	2.9
83.08621	7.1
85.02880	2.3
85.06500	2.6
87.54719	1.5
91.05492	12.9
93.01493	1.6
93.07050	29.9
95.04980	2.4
95.08615	61.8
97.02904	2.3
97.06560	3.7
97.10143	5.5
98.20710	4.1
105.07031	38.0
107.08603	42.2
109.02849	1.5
109.06516	2.4
109.10158	34.8
110.22685	1.5
117.03389	2.5
117.07030	2.9
119.07783	2.9
119.08591	36.6
121.06478	3.1
121.10158	42.8
123.08057	2.2
123.11687	9.6
125.07119	2.1
127.03901	1.8
129.07048	3.4
130.07761	1.9
131.08577	10.5
133.10124	27.7
135.04362	2.2
135.08069	3.5
135.11700	21.9
137.13246	4.0
143.08572	2.9
144.09386	2.3
145.02844	2.8
145.10138	15.9
147.03337	1.7
147.11703	26.9
149.09628	3.7
149.13274	18.2
151.07602	3.9
151.11162	2.2
155.08600	2.3
157.10126	3.1
158.10880	2.3
159.11716	13.6
161.13280	18.6
163.03905	3.5
163.11192	6.3
163.14842	14.8
165.09067	1.9
168.24234	1.8
169.10109	2.2
171.11690	5.7
173.11903	1.7
173.13200	7.9
175.14868	14.8
177.05475	4.5
177.12767	5.7
177.16383	17.4
178.05914	2.8
179.06055	2.5
183.11548	1.8
185.13281	3.2
187.14813	14.8
189.16403	14.8
191.14339	2.4
191.17989	17.2
193.65500	1.9
195.13797	4.6
199.14848	3.3
201.16417	9.5
203.17972	100.0
204.18314	3.4
205.15930	21.2
205.19493	2.1
213.16394	3.4
215.17903	4.1
217.15883	2.5
217.19536	2.3
219.17493	7.3
223.16945	15.1
227.17818	2.0
231.17458	2.9
231.21069	3.6
257.22729	2.4
391.33588	4.9
409.34677	16.7
427.36169	12.5
445.35150	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.05516	7.7
57.07061	3.9
59.18829	1.2
61.86775	1.3
65.03926	1.6
67.05508	11.8
69.03429	1.4
69.07069	14.8
69.51328	1.7
69.51736	7.7
71.08610	1.7
79.05495	8.3
81.07062	25.2
83.04958	2.6
83.08626	5.8
90.30359	1.2
91.05483	9.4
93.07033	13.1
93.37586	1.2
95.04963	2.3
95.08052	2.0
95.08612	32.8
97.10161	4.2
105.07027	21.8
107.08598	23.8
109.10163	20.0
111.11710	3.5
113.88676	1.3
117.07048	1.8
119.08588	19.8
121.09309	1.9
121.10144	23.3
122.07270	2.0
123.08058	1.5
123.11705	7.9
131.08574	6.9
133.10139	15.2
135.08041	3.9
135.11713	13.6
137.09625	7.7
137.13280	3.0
143.08549	1.7
145.10118	9.0
147.11705	13.6
149.09602	4.4
149.13268	9.1
151.07520	2.5
151.11261	1.3
157.10147	1.5
159.11720	7.2
161.09541	1.8
161.13268	10.7
163.07542	2.1
163.11160	2.4
163.14827	7.8
165.09123	100.0
171.11722	1.3
173.09497	1.5
173.13319	2.6
175.07515	2.5
175.11211	1.3
175.14848	8.1
177.09105	4.0
177.12749	2.5
177.16397	8.3
179.10754	1.9
187.11072	1.4
187.14824	5.9
189.09079	2.2
189.16435	6.1
191.10684	5.1
191.14342	1.2
191.17938	7.7
195.13846	2.7
201.16377	4.8
203.10692	2.2
203.17970	47.1
204.18327	2.1
205.12260	20.9
205.15916	10.5
219.17419	3.7
223.17009	7.8
227.17882	1.2
231.17308	2.2
231.21078	1.7
245.22568	1.4
257.22736	1.4
266.69974	1.2
391.33450	2.4
409.34558	7.5
427.14783	1.5
427.35739	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	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
54.53209	1.9
55.05513	11.0
57.07084	2.4
61.06442	2.1
63.11346	2.1
66.85136	1.9
67.05507	16.1
69.03431	4.1
69.07069	13.2
69.49344	15.4
71.41908	1.8
79.05496	13.1
81.03450	2.0
81.07066	34.1
83.04971	2.3
83.08629	6.4
91.05467	13.3
93.07053	28.8
95.04948	2.5
95.08613	60.9
97.02913	3.1
97.06529	1.8
97.10181	4.1
105.07040	37.3
107.08603	42.5
109.02897	2.4
109.10162	31.5
117.03423	2.5
117.07063	5.4
119.08592	34.8
121.10161	30.5
123.08111	2.3
123.11721	11.0
127.03918	2.1
130.18051	1.9
131.08571	9.7
133.10139	30.2
135.04422	1.9
135.08022	3.0
135.11717	22.4
137.13295	4.3
143.08553	5.1
145.02853	5.5
145.10126	16.5
146.03192	4.9
147.11708	25.4
149.13303	17.3
151.07578	5.1
157.10159	6.1
159.11713	16.0
161.09528	2.2
161.13289	15.3
163.03932	5.2
163.11237	5.7
163.14792	15.5
165.09149	2.8
165.12804	3.4
171.11737	5.3
173.13277	6.7
175.14893	13.8
177.05493	7.8
177.12802	5.1
177.16402	14.3
177.17740	2.6
178.05890	3.2
179.06015	2.3
179.56892	2.0
185.13261	3.3
187.14851	14.5
189.12689	2.4
189.16429	12.0
191.17976	14.6
195.13860	6.2
199.14836	2.9
201.16417	8.4
202.16817	2.6
203.17961	100.0
204.18391	2.3
205.15880	17.9
213.16522	2.5
215.17973	3.7
219.17473	7.5
223.16956	16.5
231.17519	2.7
231.21152	3.4
237.18733	2.0
258.78714	2.2
391.33426	2.4
409.34653	10.2
427.08582	2.7
427.36050	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52248	2.8
55.05499	10.4
57.07060	3.1
58.51434	3.1
67.05509	32.3
69.07076	19.8
70.84991	8.5
79.05506	20.8
81.07060	44.3
83.08624	8.6
91.05478	18.0
93.07049	45.3
95.04979	3.9
95.08616	100.0
100.51164	3.1
101.31283	3.1
105.07030	43.8
107.08602	67.7
108.80435	2.7
109.10162	53.0
117.07043	4.6
119.08577	56.9
121.06511	3.5
121.10149	67.1
123.08064	6.7
123.11698	18.2
131.08578	13.4
133.10152	39.6
135.08076	5.5
135.11714	32.8
137.13268	5.2
145.10107	25.8
147.11679	33.1
149.09636	4.6
149.13272	21.4
151.11082	3.4
157.10136	6.4
159.11713	19.5
161.13229	32.7
163.11247	4.8
163.14804	23.0
171.11685	3.9
173.13237	14.1
175.11099	3.9
175.14819	30.3
177.12785	3.5
177.16434	20.7
185.13329	3.5
187.14853	23.8
189.16389	26.0
191.14369	3.0
191.17941	12.0
195.13838	5.0
199.14848	6.1
201.16440	13.6
203.17973	57.5
205.15901	29.0
205.19534	5.0
215.17976	9.6
217.15802	4.5
217.19521	9.5
219.17404	4.8
223.16960	8.6
227.17960	4.3
229.19485	5.4
231.17480	3.7
231.21030	6.1
241.19511	3.6
243.20990	3.5
249.18532	5.4
250.44147	2.9
295.24219	8.5
310.17737	3.5
313.25269	13.5
331.26343	12.7
357.28079	4.5
391.33691	5.0
409.34671	19.3
427.35712	58.0
428.35922	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	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.05515	15.8
57.07071	3.6
62.05323	1.6
67.05505	19.1
69.07072	16.8
69.94653	9.2
79.05489	28.5
81.07064	40.8
83.04997	2.8
83.08621	17.7
85.06521	1.8
86.09701	7.8
91.05482	20.2
93.07046	36.7
94.68852	1.7
95.04955	2.7
95.08609	80.6
97.10169	3.3
99.08103	6.0
105.07034	53.9
107.08600	86.9
108.08929	2.7
109.06489	1.9
109.10158	53.6
111.08083	2.9
111.11697	1.9
114.39260	1.8
117.07006	4.0
119.08585	67.3
121.10140	56.9
123.08083	2.1
123.11728	11.9
128.06198	2.2
129.07019	2.7
131.08592	11.3
133.10132	52.3
135.08080	3.9
135.11700	24.3
137.13269	3.8
142.29813	2.0
143.08575	4.6
145.10124	29.1
147.11693	39.7
149.09663	2.7
149.13264	25.3
151.11185	2.1
157.10136	8.3
159.11691	19.0
160.12303	1.8
161.13271	27.8
163.11234	5.5
163.14822	24.0
165.09145	3.4
165.12758	1.9
171.11739	2.9
173.13249	11.6
175.14835	35.1
176.15236	1.7
177.12791	5.2
177.16393	22.4
185.13284	5.1
186.14925	6.3
187.14835	25.2
189.16422	25.6
191.14375	1.7
191.17944	12.7
193.15912	1.7
195.13792	8.1
199.14850	5.2
201.16393	13.1
203.17963	100.0
203.66864	1.7
205.15891	32.1
213.16420	3.4
215.17960	4.8
217.15968	3.5
217.19542	3.6
218.28917	2.0
219.17412	3.6
223.16943	30.1
225.16354	2.2
227.17964	3.1
231.17508	3.7
231.21062	4.9
241.19513	4.6
257.22659	2.1
295.24136	3.1
313.25232	4.5
381.31403	7.7
391.33334	5.4
409.34775	17.7
427.36188	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.6
57.07072	3.8
59.74005	2.9
67.05506	22.5
69.07076	31.3
70.94189	8.1
79.05508	21.3
81.07065	56.7
83.08641	13.8
85.06521	4.7
86.09717	35.0
91.05480	20.0
93.07050	47.6
95.08611	100.0
97.10184	7.5
105.06384	4.3
105.07045	58.9
107.08604	84.7
109.10159	58.6
111.08089	6.1
117.06990	4.3
119.08589	66.2
120.17441	2.7
121.06474	3.1
121.10155	76.5
123.08076	8.6
123.11710	16.3
127.42239	2.7
131.08620	19.3
133.10146	50.8
135.08046	6.8
135.11711	37.4
135.36765	3.0
137.13297	4.7
143.08557	3.8
145.10153	22.3
147.11714	48.4
149.09636	10.5
149.13271	43.3
151.14769	3.7
157.10202	7.4
159.11726	24.0
161.13286	42.2
163.11238	6.4
163.14836	40.0
165.12782	3.7
171.11690	7.0
173.13309	13.9
175.14844	37.8
177.12703	3.7
177.16391	39.0
179.14426	5.4
179.17992	3.6
186.14899	31.6
187.14845	26.2
189.16402	40.9
191.17963	32.2
195.13748	3.0
199.14984	3.9
201.16422	17.4
203.17973	88.8
205.15865	28.0
205.19479	4.1
213.16455	4.9
214.14436	8.0
215.17989	4.0
217.19566	9.6
219.17416	8.0
223.16911	16.4
229.19473	4.2
231.17473	10.6
231.21088	10.4
237.18661	3.1
245.19037	3.5
249.18529	3.4
257.22583	6.3
304.54648	2.8
314.19797	3.2
391.33670	7.9
409.34598	29.6
427.35840	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05507	6.6
57.07065	2.7
59.53260	1.5
59.70883	1.7
63.84941	1.4
65.96181	1.6
67.05501	10.9
69.07069	12.7
69.08928	1.3
71.04435	3.6
72.24764	1.3
79.05486	10.3
81.07060	21.8
83.04956	1.6
83.08623	3.6
91.05503	8.8
93.07055	22.6
95.08612	34.2
97.10175	2.5
105.07037	29.0
107.08602	35.9
109.06538	1.6
109.10165	27.2
117.06975	1.7
119.08590	28.8
121.06468	1.8
121.10147	27.0
123.11698	7.5
131.08609	7.1
133.10139	30.3
135.08015	2.4
135.11708	15.7
137.13269	1.9
145.10155	12.3
147.11694	22.6
149.09604	1.7
149.13289	17.6
151.11226	2.0
157.10176	1.8
159.11679	8.7
161.13306	16.0
163.11128	3.1
163.14822	18.4
173.13297	3.7
175.14833	19.3
177.12796	2.0
177.16368	15.5
187.14847	10.5
189.16362	14.5
191.14307	1.7
191.17981	8.7
195.13806	4.9
201.16371	4.5
203.17972	100.0
205.15900	19.4
205.19435	2.2
213.16397	2.9
215.17964	3.0
219.17462	3.1
223.16945	18.7
231.17564	2.3
391.33655	3.4
402.30832	1.5
409.34686	11.4
427.35983	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	427.3575
Annotation	7-Oxostigmasterol
Peak:m/z	Relative Intensity
52.09626	3.5
55.05502	16.2
57.07075	11.8
59.04990	4.2
64.67892	3.9
67.05509	33.3
69.07072	33.6
70.43562	13.4
71.04990	4.4
79.05504	20.0
81.07059	62.7
83.08618	12.9
85.06530	6.3
91.05470	26.9
93.07050	52.7
95.08612	91.7
97.10173	10.5
105.07033	45.0
107.08599	76.3
109.06521	4.5
109.10170	46.1
119.08591	42.5
121.06525	6.5
121.10151	64.7
123.08085	8.7
123.11706	14.9
131.08577	12.0
133.10153	48.3
135.08061	62.6
135.11710	37.8
137.09787	4.2
137.13255	8.8
139.11195	8.9
143.08524	5.4
145.09099	5.9
145.10069	28.9
147.11716	31.3
149.09673	7.0
149.13254	30.3
159.11703	27.3
161.13286	23.3
163.11139	7.7
163.14833	30.0
164.92831	4.3
165.09152	4.2
171.11617	5.8
173.13290	13.7
175.11150	5.9
175.14848	15.2
177.16434	22.3
179.14323	6.0
185.13239	5.0
187.14885	24.0
189.16380	35.8
191.14320	5.9
191.17928	17.7
199.14804	7.6
201.16478	13.7
203.14334	5.7
203.17960	28.4
205.15881	22.5
205.19382	5.9
213.16251	5.8
215.17917	10.4
217.19582	5.7
219.17464	7.6
269.22427	5.1
331.26398	6.0
391.33441	5.4
397.34604	11.7
409.34827	37.9
427.30063	8.4
427.35687	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	427.321
Annotation	Flabellinol
Peak:m/z	Relative Intensity
53.03926	2.1
55.05495	3.2
67.05520	5.1
69.07085	6.5
70.06595	5.3
71.04971	1.4
71.59913	1.1
77.17368	1.0
78.63240	1.0
79.05511	5.1
81.07064	8.6
83.08603	2.8
88.43996	1.1
91.05494	5.5
93.07053	9.9
95.04957	1.8
95.08615	16.9
97.06534	1.2
97.10202	1.2
105.06499	1.0
105.07037	12.3
107.08595	15.9
109.06489	1.9
109.10159	7.8
111.08076	1.8
113.10403	1.0
115.08658	4.3
117.07003	2.5
119.08598	14.7
121.06487	2.3
121.10151	12.5
123.08035	2.2
123.11681	2.5
129.06985	1.2
131.08585	6.5
133.06479	4.0
133.10135	10.5
135.08064	64.5
135.11691	6.8
136.08386	1.2
138.77158	1.0
139.29593	1.3
143.08545	3.6
145.10150	8.3
147.07990	3.8
147.11693	6.4
149.09596	2.8
149.13239	3.3
155.08443	1.0
156.09430	1.1
157.10100	4.4
159.11684	5.0
161.09642	7.7
161.13266	5.4
163.11208	2.0
163.14728	2.9
171.11639	1.9
173.09543	1.4
173.13298	6.9
175.11172	8.4
175.14809	2.4
177.12703	1.5
177.16284	1.7
183.11630	1.4
185.13177	2.2
187.11108	1.3
187.14864	5.7
189.12730	3.7
189.16341	4.5
191.14273	1.4
191.17909	1.5
197.13231	2.0
199.14795	1.8
201.12712	1.4
201.16441	4.9
203.14308	14.3
203.17902	2.0
205.15915	6.8
207.17398	2.9
209.13341	1.6
213.16284	1.7
215.17928	2.2
217.15884	6.1
219.17442	4.1
239.17949	1.2
255.21126	1.4
339.22977	1.2
391.29541	2.6
409.30539	4.2
409.34534	4.1
427.31827	100.0
428.32303	4.4
439.47925	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	427.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70335	3.5
55.05508	21.0
57.07071	10.9
67.05515	34.7
67.68227	3.8
68.91927	3.4
69.07072	22.3
69.42117	27.2
69.42536	10.1
70.06597	30.9
70.95449	3.7
71.05021	3.9
73.06552	3.9
79.05508	20.4
81.03453	5.5
81.07064	60.1
81.71649	4.4
83.05008	6.1
83.08624	21.9
84.08154	27.5
91.05477	20.5
93.07054	46.7
95.04972	10.1
95.07234	4.3
95.08041	7.1
95.08614	100.0
97.06556	6.5
97.10162	5.3
99.08102	6.8
105.07040	46.9
107.08601	74.9
109.06525	9.4
109.10166	70.6
115.08699	33.5
117.07079	8.4
119.08600	90.9
121.10152	70.5
123.08037	5.2
123.11729	32.1
125.09649	45.3
129.07050	8.7
131.07216	4.0
131.08586	36.5
133.10136	54.2
135.11713	37.1
137.13255	18.7
143.08560	20.3
145.10124	46.9
147.11668	31.2
149.09552	4.3
149.13232	10.1
151.14848	10.6
153.12750	6.8
155.08589	4.7
157.10124	26.9
158.07974	3.9
159.11708	32.3
161.13312	26.8
163.14871	22.0
165.12779	6.5
165.16402	8.2
169.10165	9.9
171.11714	17.2
173.13281	30.3
175.14842	36.4
177.16394	18.0
179.14323	71.3
181.15907	9.7
183.11693	9.6
185.13278	13.1
187.14864	30.4
189.16434	23.0
191.18030	5.5
193.15889	6.3
197.13286	8.2
199.14838	38.8
201.16423	53.5
203.14502	4.8
203.17995	11.5
205.16031	4.3
211.14876	9.0
213.16422	21.6
215.18021	11.2
219.13925	5.3
225.16409	7.2
227.17902	9.8
229.15964	4.0
229.19554	9.5
233.15416	7.2
237.16377	7.4
239.18001	4.3
241.19444	9.3
245.15408	18.4
247.17018	7.5
253.19452	8.1
255.21135	5.1
259.16928	6.5
273.18716	4.0
279.21078	4.5
281.22781	8.6
309.25830	11.7
316.42862	3.9
325.21701	8.9
325.25183	4.8
363.30621	9.8
365.31839	4.8
381.31580	60.9
391.33557	9.5
409.30780	13.8
409.35257	7.5
427.31650	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.05495	3.2
67.05520	5.1
69.07085	6.5
70.06595	5.3
71.04971	1.4
71.59913	1.1
77.17368	1.0
78.63240	1.0
79.05511	5.1
81.07064	8.6
83.08603	2.8
88.43996	1.1
91.05494	5.5
93.07053	9.9
95.04957	1.8
95.08615	16.9
97.06534	1.2
97.10202	1.2
105.06499	1.0
105.07037	12.3
107.08595	15.9
109.06489	1.9
109.10159	7.8
111.08076	1.8
113.10403	1.0
115.08658	4.3
117.07003	2.5
119.08598	14.7
121.06487	2.3
121.10151	12.5
123.08035	2.2
123.11681	2.5
129.06985	1.2
131.08585	6.5
133.06479	4.0
133.10135	10.5
135.08064	64.5
135.11691	6.8
136.08386	1.2
138.77158	1.0
139.29593	1.3
143.08545	3.6
145.10150	8.3
147.07990	3.8
147.11693	6.4
149.09596	2.8
149.13239	3.3
155.08443	1.0
156.09430	1.1
157.10100	4.4
159.11684	5.0
161.09642	7.7
161.13266	5.4
163.11208	2.0
163.14728	2.9
171.11639	1.9
173.09543	1.4
173.13298	6.9
175.11172	8.4
175.14809	2.4
177.12703	1.5
177.16284	1.7
183.11630	1.4
185.13177	2.2
187.11108	1.3
187.14864	5.7
189.12730	3.7
189.16341	4.5
191.14273	1.4
191.17909	1.5
197.13231	2.0
199.14795	1.8
201.12712	1.4
201.16441	4.9
203.14308	14.3
203.17902	2.0
205.15915	6.8
207.17398	2.9
209.13341	1.6
213.16284	1.7
215.17928	2.2
217.15884	6.1
219.17442	4.1
239.17949	1.2
255.21126	1.4
339.22977	1.2
391.29541	2.6
409.30539	4.2
409.34534	4.1
427.31827	100.0
428.32303	4.4
439.47925	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	427.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
53.84874	1.7
55.01872	3.6
55.05512	22.3
57.03440	2.9
58.54255	1.4
59.04998	6.0
61.02927	5.9
63.18450	1.6
65.16582	1.5
67.05502	6.5
69.03434	25.9
69.07072	12.5
69.50742	4.6
69.51144	6.5
71.04981	4.2
73.02930	3.5
73.16293	1.4
79.05493	6.3
81.03430	12.9
81.07074	12.5
81.73279	1.4
83.04491	1.7
83.04982	28.7
83.08665	1.7
84.08146	1.7
85.02908	52.8
85.03702	2.2
85.06561	2.3
87.04476	2.8
91.03976	3.3
91.05492	9.6
93.07059	10.3
95.04977	35.6
95.08619	10.8
97.02900	17.0
97.06521	2.4
99.04444	4.5
101.06035	16.6
105.07051	11.6
107.08598	13.6
109.02881	5.8
109.06525	12.7
109.10168	13.4
110.58752	1.3
111.04429	4.0
117.07032	4.6
119.04966	4.1
119.08602	12.4
121.02875	2.6
121.06487	5.3
121.10164	8.7
123.08063	2.5
123.11694	4.7
125.06033	2.6
127.03950	12.1
131.04939	2.0
131.08537	5.8
133.10120	5.8
135.04482	1.9
135.08095	9.4
135.11703	9.2
136.07610	2.2
137.05959	3.0
137.09637	1.9
143.08578	3.4
145.04980	6.7
145.10136	10.9
147.11676	10.6
148.12022	3.1
149.09639	6.8
151.07576	1.9
159.08054	5.6
159.11731	5.5
161.09654	2.6
161.13272	2.5
163.03873	4.1
163.11220	8.3
163.14951	1.8
165.12769	76.3
166.13063	2.1
171.11710	3.7
173.09641	3.6
173.13289	2.4
175.11131	2.5
175.14824	2.0
177.09099	6.2
179.10620	1.6
187.14827	5.5
189.12744	4.8
191.10631	7.7
192.89894	1.8
201.16411	2.5
205.15869	6.9
211.14806	2.3
229.15903	6.3
247.16968	44.9
249.13054	1.6
265.17996	100.0
266.18353	1.6
267.03345	1.6
273.96570	1.7
286.17273	8.6
300.27155	1.6
409.22287	2.6
427.23688	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	427.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11489	0.2
57.04549	0.4
61.58074	0.2
61.99557	0.2
69.03437	0.2
70.06602	1.1
71.58430	0.2
84.04495	0.4
84.08122	0.2
85.02887	0.3
91.05473	0.4
94.04057	1.6
97.02902	0.3
99.46204	0.2
100.71935	0.2
110.94662	0.2
119.18020	0.2
123.04434	0.7
123.06671	0.7
124.04810	0.3
133.05112	0.3
135.05362	0.2
148.06183	0.3
150.07759	100.0
151.08098	0.4
163.03926	0.4
179.03410	0.8
192.10240	0.3
234.99065	0.3
264.12308	0.4
265.12656	0.6
266.10440	0.2
282.12076	0.9
295.11514	18.8
313.71463	0.2
427.17084	0.8
445.56445	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	427.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.7
63.52213	0.4
68.77196	0.5
70.06596	5.3
71.06927	1.2
71.59057	0.8
81.10719	0.4
91.05499	0.7
91.93907	0.4
94.04056	1.3
97.02902	0.4
98.97591	1.8
110.37429	0.4
116.98644	1.1
123.04465	0.9
123.06704	0.9
123.87023	0.4
128.06743	0.4
133.05122	0.7
148.06232	0.6
150.07762	100.0
160.92371	0.4
179.03365	0.9
181.37975	0.4
213.12454	0.6
249.07942	1.3
265.12732	0.5
282.11951	0.7
295.11520	20.3
307.12424	0.5
427.17368	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	427.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
53.84874	1.7
55.01872	3.6
55.05512	22.3
57.03440	2.9
58.54255	1.4
59.04998	6.0
61.02927	5.9
63.18450	1.6
65.16582	1.5
67.05502	6.5
69.03434	25.9
69.07072	12.5
69.50742	4.6
69.51144	6.5
71.04981	4.2
73.02930	3.5
73.16293	1.4
79.05493	6.3
81.03430	12.9
81.07074	12.5
81.73279	1.4
83.04491	1.7
83.04982	28.7
83.08665	1.7
84.08146	1.7
85.02908	52.8
85.03702	2.2
85.06561	2.3
87.04476	2.8
91.03976	3.3
91.05492	9.6
93.07059	10.3
95.04977	35.6
95.08619	10.8
97.02900	17.0
97.06521	2.4
99.04444	4.5
101.06035	16.6
105.07051	11.6
107.08598	13.6
109.02881	5.8
109.06525	12.7
109.10168	13.4
110.58752	1.3
111.04429	4.0
117.07032	4.6
119.04966	4.1
119.08602	12.4
121.02875	2.6
121.06487	5.3
121.10164	8.7
123.08063	2.5
123.11694	4.7
125.06033	2.6
127.03950	12.1
131.04939	2.0
131.08537	5.8
133.10120	5.8
135.04482	1.9
135.08095	9.4
135.11703	9.2
136.07610	2.2
137.05959	3.0
137.09637	1.9
143.08578	3.4
145.04980	6.7
145.10136	10.9
147.11676	10.6
148.12022	3.1
149.09639	6.8
151.07576	1.9
159.08054	5.6
159.11731	5.5
161.09654	2.6
161.13272	2.5
163.03873	4.1
163.11220	8.3
163.14951	1.8
165.12769	76.3
166.13063	2.1
171.11710	3.7
173.09641	3.6
173.13289	2.4
175.11131	2.5
175.14824	2.0
177.09099	6.2
179.10620	1.6
187.14827	5.5
189.12744	4.8
191.10631	7.7
192.89894	1.8
201.16411	2.5
205.15869	6.9
211.14806	2.3
229.15903	6.3
247.16968	44.9
249.13054	1.6
265.17996	100.0
266.18353	1.6
267.03345	1.6
273.96570	1.7
286.17273	8.6
300.27155	1.6
409.22287	2.6
427.23688	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	427.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20511	1.3
55.01895	1.7
65.03918	1.5
69.03455	6.0
69.07066	2.0
70.84790	2.6
72.22018	1.1
79.05489	5.7
81.03419	1.4
81.07056	4.2
84.08160	1.6
85.02892	1.7
87.00822	3.0
91.05485	3.7
93.07053	3.4
94.04192	6.1
95.04971	1.3
95.08614	2.9
97.02895	15.2
103.05474	1.6
105.07027	11.2
106.32086	1.3
107.04974	1.5
107.08616	3.5
109.06506	2.5
109.10155	2.4
115.03917	2.5
115.05445	1.8
119.08569	2.8
122.03654	9.6
125.02390	6.4
128.06223	3.2
131.04874	2.8
133.06482	6.6
133.10136	2.1
135.04445	1.4
135.08096	1.5
137.05984	100.0
141.07011	1.4
143.03391	5.8
145.10204	1.5
146.03535	1.6
147.04359	1.4
149.06044	2.3
159.11694	1.5
161.04604	2.8
161.05981	24.6
163.03874	1.5
165.09097	3.1
171.08009	1.8
175.07637	2.0
184.05229	1.6
187.07538	1.3
189.09113	3.8
189.16356	2.3
191.08636	3.1
192.09267	1.3
199.07541	18.2
202.07838	7.7
203.08559	14.7
203.17999	1.5
205.06593	2.1
219.08040	6.0
220.08839	4.2
231.08047	21.7
231.10205	1.9
232.08789	4.2
235.11192	2.1
247.04608	2.8
247.07561	3.6
248.08371	10.1
249.09247	1.7
259.07541	12.2
260.08350	5.0
263.10651	9.7
276.07849	7.3
277.08469	3.5
291.10156	45.1
292.10794	4.2
293.08124	2.1
295.13428	2.0
308.10275	3.1
323.09814	1.6
323.12891	17.1
427.08392	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	427.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52067	1.0
54.27845	0.9
54.67147	0.9
55.01873	1.3
55.05507	1.3
67.05486	1.2
69.03412	1.4
69.07066	1.1
70.06584	3.4
71.04975	0.9
71.58852	1.5
79.05486	1.8
81.03419	1.3
81.07021	2.1
83.08636	1.5
85.02899	2.9
90.62776	0.8
93.07036	2.4
95.08600	1.1
97.02898	1.5
97.10143	0.9
100.07603	1.0
100.11243	1.4
105.01839	1.1
105.07020	2.0
109.02896	1.4
109.06527	0.9
116.07066	1.3
119.08571	1.4
121.10156	0.9
122.03656	2.2
127.03896	2.1
129.07025	1.0
130.06519	1.1
131.04921	1.6
131.08580	1.8
137.04099	0.9
137.05991	12.1
143.08421	0.9
145.10052	1.5
149.05948	1.1
149.17847	1.0
156.13811	1.6
161.05951	2.7
163.03912	1.0
174.06750	3.7
184.13350	2.1
185.00415	0.9
187.07584	1.1
189.09151	2.5
191.08565	1.8
199.07489	4.9
201.09082	1.0
202.07764	6.1
203.08560	14.7
205.06462	1.9
210.14926	2.2
217.08557	2.5
219.08078	5.9
220.08842	7.2
221.09476	1.1
225.08867	1.1
230.07295	1.8
231.08052	20.0
232.08784	4.3
233.06015	3.4
237.09175	3.4
245.09602	2.1
247.07574	3.8
248.08337	22.5
249.09053	4.1
250.06180	2.2
259.07571	6.7
260.08279	4.9
261.09079	2.2
262.09982	1.9
263.10672	18.6
265.08609	6.6
273.09048	1.7
275.07031	1.3
275.10626	1.2
276.07816	11.9
277.08655	8.4
278.05685	2.3
279.10117	1.4
280.10901	2.8
290.09384	1.4
291.10159	42.1
292.10791	6.0
293.08063	17.2
295.09677	1.2
305.11658	1.4
307.09799	1.6
308.10367	8.1
309.10611	1.1
323.12781	100.0
324.13150	2.8
341.15735	1.4
383.16873	7.4
427.15768	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	426.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.5
55.09016	0.6
62.06086	0.8
67.05523	2.2
69.07069	2.4
70.06591	0.7
71.08634	5.7
72.08146	1.3
74.75020	0.5
79.05487	1.7
81.07071	4.6
82.07359	0.5
83.08630	2.1
84.08136	1.2
86.06055	2.9
91.05495	0.9
93.07041	3.1
94.07385	0.7
95.08031	0.7
95.08611	7.6
96.08129	2.5
96.08925	1.3
97.10178	0.9
98.06046	0.8
98.09724	2.2
99.08092	2.6
105.07020	3.1
106.07360	0.7
107.08576	3.7
108.08117	2.0
108.08936	1.2
109.06501	0.6
109.10168	2.5
109.51898	0.5
110.09679	0.6
110.10466	0.8
110.52379	0.4
111.08121	0.8
116.10742	16.3
119.08571	2.7
119.87157	0.4
120.08880	0.9
121.10110	2.6
122.09652	1.9
122.10427	0.9
123.11663	0.9
124.07596	0.5
126.09158	0.5
131.08572	1.0
133.10153	2.4
134.10471	0.9
135.11720	1.5
136.12076	0.5
140.10680	0.7
143.10678	1.4
145.10100	1.0
147.11667	1.1
149.13240	1.9
150.13670	0.6
154.15886	3.5
159.11708	0.8
161.13301	1.0
162.13568	0.5
163.14821	1.2
164.15266	0.6
166.15947	2.5
166.51894	0.4
168.17455	1.3
173.13217	0.8
174.13603	0.9
175.14886	1.0
176.15123	0.9
177.16389	1.4
178.15901	1.5
187.14847	1.1
188.15143	0.7
189.16393	2.0
190.16756	1.2
191.18031	0.8
196.16978	8.0
198.38536	0.4
201.16420	0.5
203.17926	1.5
204.18283	2.0
214.18036	100.0
215.18312	1.4
216.18265	0.7
222.15726	0.5
257.17453	1.6
305.92935	0.5
310.23895	1.3
328.24823	4.1
408.33710	0.8
426.33844	5.5
431.49280	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	426.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
56.05003	0.4
57.07073	0.5
58.41086	0.3
60.24198	0.3
62.06086	0.8
67.05510	1.7
69.07071	2.2
69.13145	0.3
70.06583	0.9
71.07356	0.3
71.08637	6.0
71.59159	0.5
72.08142	1.4
79.05478	0.9
81.07064	2.6
81.36345	0.3
83.08611	2.1
84.08134	1.3
85.06554	0.4
86.06066	3.5
86.09650	0.3
91.05498	0.6
93.07032	1.6
95.08606	2.2
95.30247	0.3
96.08138	2.9
97.06548	0.8
97.10175	0.5
98.06052	0.7
98.09699	3.6
99.08102	2.7
105.07021	0.7
107.08575	1.6
108.08123	1.8
108.08750	0.4
109.10129	0.8
110.09683	0.7
113.08414	0.5
114.09176	0.5
116.10737	16.1
119.08614	0.8
121.10176	0.8
122.09684	1.1
123.11661	0.4
124.07587	0.7
126.09201	0.3
135.10535	0.4
135.11639	0.5
136.11188	0.7
140.10712	0.5
143.10687	2.5
145.10208	0.4
149.13245	1.0
154.12198	0.4
154.15916	3.1
159.11697	0.5
166.15953	2.1
167.14365	0.4
168.17506	1.0
178.15919	1.3
196.16980	8.6
197.24812	0.3
211.60474	0.3
214.18027	100.0
215.18365	1.0
231.15907	0.4
238.17992	0.5
256.19183	0.6
257.17487	2.8
286.50519	0.3
310.23749	2.7
328.24835	5.2
408.31107	1.5
426.32080	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	426.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
57.07065	0.5
60.54692	0.3
62.06064	0.6
65.20273	0.3
67.05508	1.5
69.07064	2.0
70.06584	0.7
71.04971	0.3
71.07317	0.4
71.08275	0.4
71.08636	6.1
71.08999	0.3
71.18476	0.4
72.08136	1.0
73.51030	0.3
79.05485	0.9
81.07050	2.7
83.08624	2.2
84.04479	0.5
84.08125	1.1
86.06062	3.4
91.05444	0.4
93.07043	1.7
94.06586	0.3
95.08599	2.2
96.08129	2.1
97.06525	1.2
97.10230	0.4
98.06049	1.0
98.09698	3.5
99.08094	2.7
105.07037	0.5
107.08617	1.6
108.08133	1.3
109.10161	0.9
110.07257	0.3
110.09692	0.5
111.08074	0.5
113.08369	0.4
114.09196	0.5
116.10736	16.7
119.08595	0.7
121.08891	0.6
121.10110	0.7
122.09686	1.6
124.07605	0.5
126.09168	0.6
133.10123	0.6
135.10435	0.4
135.11703	0.5
136.11188	0.6
139.09895	0.3
140.10692	0.6
143.10667	1.9
149.13248	0.8
154.12216	0.3
154.15936	3.1
164.14395	0.3
166.15921	2.5
168.17363	0.6
173.05602	0.3
178.15990	1.6
196.16982	8.4
214.18028	100.0
215.18404	1.8
234.18950	0.3
238.18022	0.6
256.19165	0.6
257.17505	2.4
310.23700	1.9
328.24881	5.3
408.30872	1.5
426.32104	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	426.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57886	0.3
52.59253	0.4
53.03944	0.6
65.03951	1.1
67.05508	8.7
68.05025	0.9
69.03448	0.8
69.07069	2.4
70.06595	100.0
71.05003	0.4
71.06916	0.7
71.21921	0.9
81.03419	0.9
84.08157	1.4
85.02909	1.4
91.05489	15.5
94.06579	3.2
95.04970	11.1
95.05550	0.6
97.02915	1.1
108.08083	0.5
109.02901	1.5
110.06082	0.6
112.07616	19.2
113.06000	0.8
114.05561	0.6
123.04455	0.3
124.07639	0.6
127.03960	1.7
130.08653	2.2
130.21292	0.4
136.07578	1.1
154.08669	1.7
164.91623	0.4
172.09712	1.1
178.08690	1.0
179.03394	5.2
220.09688	0.6
238.10709	3.2
256.11768	3.8
270.38248	0.4
272.57156	0.4
274.12875	14.1
300.10986	0.8
318.11755	2.1
364.17688	0.9
382.18555	7.3
426.17816	3.4
427.13571	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	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.31269	2.0
53.03937	3.0
55.05519	18.0
57.07077	10.8
60.43759	2.0
67.05508	22.2
69.07072	30.7
69.32617	13.1
69.33021	5.1
71.08634	4.6
79.05502	16.6
81.07063	49.8
83.08634	12.5
85.06580	2.4
85.10195	2.3
89.06037	8.7
90.06360	2.9
91.05492	12.4
93.07060	36.4
95.08612	64.9
97.10180	10.2
98.21475	3.4
105.07034	35.6
107.08600	61.4
109.10162	86.3
111.11729	3.0
119.08595	43.4
121.10153	45.0
123.08096	2.9
123.11718	26.5
129.06985	2.2
131.08527	9.9
133.08621	4.4
133.10139	28.9
135.11707	45.3
137.13261	10.3
143.08614	3.3
145.10167	13.4
147.11700	36.2
149.13255	29.2
157.10164	3.1
159.11691	20.0
161.13289	36.7
163.14830	23.4
171.11708	2.7
173.13324	9.8
175.14832	16.3
177.16458	10.1
179.14316	3.5
185.13158	2.4
187.14871	12.6
189.16374	23.5
191.17961	34.7
199.14893	4.0
201.16458	6.8
203.17957	40.9
203.19702	2.5
205.19586	6.9
207.17531	5.6
213.16386	2.2
215.18060	9.7
217.19527	42.5
217.21536	2.6
219.21033	14.0
229.19626	2.5
231.21156	6.0
239.14973	2.4
245.22722	3.5
269.22684	2.2
269.97064	2.4
271.24551	2.9
283.24231	4.8
285.25836	5.2
301.25342	6.5
311.27069	3.4
383.33142	5.6
407.36978	20.9
425.37912	100.0
426.38373	3.9
432.95801	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03936	2.1
55.05509	10.5
57.07075	10.3
67.05511	28.3
69.07069	24.7
71.08633	2.2
74.01661	1.4
79.05512	14.5
79.85828	1.3
81.07065	67.5
83.04958	1.4
83.08626	10.9
85.10168	1.7
91.05495	14.8
93.07051	29.4
95.08616	100.0
96.08933	2.3
97.10172	6.1
98.21530	3.0
105.07032	26.9
105.07682	2.6
107.08598	33.7
109.10162	40.6
111.08070	1.6
111.11716	3.8
117.07038	4.6
119.08590	25.5
121.10156	28.2
121.33690	1.5
123.11710	26.2
129.06990	2.5
131.08563	13.1
133.10143	22.3
135.11708	22.5
137.13261	36.8
138.13443	1.8
142.07896	1.7
143.08559	6.3
145.10141	17.5
147.08051	1.6
147.11696	20.0
149.09590	1.6
149.13278	17.2
151.14825	2.5
157.10127	6.0
159.11670	11.1
161.13257	16.3
163.14861	9.9
171.11717	7.6
173.13309	9.1
175.14815	8.6
177.12833	2.3
177.16383	9.5
179.14359	2.3
179.17987	3.2
185.13321	7.1
187.14813	10.8
189.16377	13.0
191.17957	8.6
199.14833	4.2
200.60266	1.6
201.16447	10.6
203.14360	3.3
203.17955	9.3
205.15886	2.5
205.19531	4.4
207.17520	2.5
213.16302	7.2
214.17079	1.7
215.17947	10.0
217.19487	9.6
219.17441	4.8
227.17990	8.5
229.19691	7.7
231.17404	3.0
231.21135	3.4
233.19022	2.0
241.19701	2.4
243.21106	2.6
245.19113	5.2
245.22639	2.0
247.20641	2.6
255.21057	3.3
257.22485	3.1
269.22684	2.9
271.24286	2.9
283.24216	3.9
407.36734	14.5
425.21970	2.8
425.28522	4.8
425.38409	27.6
426.38278	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.76170	1.3
52.34560	1.2
53.03947	1.8
55.05507	13.3
57.07072	5.9
62.18906	1.3
65.03938	2.1
66.40257	1.3
67.05508	25.0
69.07069	30.3
69.65512	1.6
69.65910	8.1
71.08646	2.7
74.54279	1.2
79.05498	14.1
80.90087	1.3
81.07063	49.9
83.04952	1.5
83.08621	11.5
85.06555	1.3
89.06044	8.5
90.06368	2.9
91.05483	12.4
93.07055	41.8
95.08612	65.1
97.06544	3.2
97.10168	8.1
99.08122	1.8
105.07035	35.4
107.08599	64.1
108.94140	1.3
109.06541	1.8
109.10160	78.1
111.08086	2.4
111.11768	4.0
117.07022	3.1
119.08585	41.1
121.10149	46.4
123.11710	31.4
131.08577	9.3
133.08603	3.9
133.10136	37.7
135.11705	44.4
135.12706	2.6
137.13248	9.8
143.08521	1.5
145.10120	13.3
147.11694	35.3
149.09535	1.4
149.13268	25.9
151.11209	1.5
151.14886	2.1
157.10138	2.5
159.11699	17.4
161.13248	29.9
163.14842	20.6
165.16396	1.3
171.11754	2.3
173.13266	11.6
175.14809	17.2
177.16396	8.2
179.14383	3.8
185.13260	2.5
187.14824	10.6
189.16383	21.0
191.14285	2.0
191.17949	34.8
191.19559	2.3
199.14789	2.0
201.16467	10.0
203.17970	38.9
205.15941	2.2
205.19504	10.1
207.17557	3.7
210.39508	1.4
213.16470	3.5
215.17952	11.4
217.19530	41.1
219.21094	14.2
222.95728	1.5
227.17972	2.3
229.19606	3.9
231.21109	6.7
233.19060	2.3
239.14966	2.7
240.15276	2.7
241.19730	1.8
243.21094	2.3
245.22710	4.4
255.21165	1.9
259.24341	3.9
269.22778	2.1
271.24298	5.1
283.24197	3.5
285.25903	4.9
295.24548	1.5
297.25839	2.5
301.25330	4.5
325.29031	2.4
341.28156	1.6
351.30521	1.6
360.11887	1.4
365.32245	1.5
369.31564	1.8
383.33191	5.7
407.36880	16.2
425.37936	100.0
426.38251	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	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.05517	14.4
57.07066	10.5
67.05505	29.3
69.06714	3.4
69.07070	37.5
69.91338	12.1
70.29598	2.3
71.04986	10.5
77.65814	2.2
79.05500	17.6
81.07062	63.9
83.08641	13.4
84.61653	2.6
85.33489	2.5
89.06056	3.0
91.05486	20.4
93.06478	3.0
93.07053	53.5
95.08611	100.0
97.10174	8.2
98.20953	6.4
99.08082	4.6
103.42364	2.3
105.07035	47.9
107.08602	88.2
109.10159	78.0
111.11717	3.0
119.08594	60.5
121.10158	74.8
123.11722	39.1
127.11217	16.3
131.08572	10.7
133.08618	3.9
133.10135	61.2
135.11699	73.1
137.13261	16.5
145.10132	14.9
147.11694	48.6
149.13275	65.8
159.11699	19.5
161.13258	32.6
161.66141	2.9
163.14825	15.1
173.13231	9.6
175.14865	19.8
177.16422	5.4
185.13312	3.2
187.14876	12.1
189.16374	27.2
191.17955	92.4
197.13248	3.0
199.14851	4.3
201.16382	13.5
203.17963	40.7
205.19514	13.9
215.17964	8.6
217.19547	41.7
219.17494	3.4
221.19083	3.7
229.19537	3.3
231.21075	5.0
233.18941	5.5
235.20447	4.6
239.14952	2.8
244.54761	3.1
257.22662	7.7
407.36646	12.0
425.37949	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.32639	2.5
53.03948	3.0
55.05513	22.6
57.07069	9.8
58.62534	2.8
59.04979	3.5
67.05505	38.6
69.07073	66.0
70.18324	3.1
70.71987	6.0
70.72389	5.7
72.08142	3.6
79.05493	25.7
81.07062	100.0
83.05017	2.6
83.08622	16.9
91.05479	20.7
93.07060	49.5
95.04967	3.9
95.08614	98.6
97.10185	5.7
97.80355	3.2
105.07025	33.9
107.08604	55.0
109.10155	66.6
111.08012	3.0
111.11752	19.0
115.71320	2.9
119.08588	39.1
121.10153	50.5
123.11713	37.3
131.08566	10.5
133.10126	29.3
135.11716	34.2
137.09605	9.2
137.13268	20.4
139.11081	3.2
145.10124	20.1
147.11691	24.8
149.13271	31.9
151.11214	6.6
151.14876	4.2
157.10178	7.3
159.11681	19.7
161.13280	14.1
163.14821	22.7
165.12802	3.3
171.11763	6.6
173.13295	12.7
175.14784	19.1
177.16418	16.0
187.14816	9.5
189.16367	12.6
191.17859	7.7
195.17453	7.3
199.14871	5.0
201.16446	8.7
203.17986	10.5
205.19588	4.8
213.16397	4.9
215.17947	7.3
217.19580	10.8
227.17848	3.7
229.19514	7.1
229.49908	2.8
231.21039	4.8
233.19060	6.2
241.19415	3.3
243.21173	3.6
255.21133	4.0
257.22711	6.5
259.24170	5.9
264.64023	3.1
269.22748	6.0
271.24338	3.5
325.28699	3.9
331.27924	3.0
337.74286	3.2
407.36603	17.8
425.38049	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.65486	2.2
55.05511	9.2
57.07080	10.5
57.77564	2.3
59.07480	2.3
60.02303	2.2
67.05511	26.1
69.07080	23.5
71.44948	3.1
75.12180	2.4
79.05502	15.9
81.07069	59.2
83.08640	6.2
83.72709	2.5
91.05472	13.6
93.07059	42.7
95.08619	100.0
97.10194	5.7
105.07037	26.4
107.08610	63.4
109.10168	65.2
109.10915	3.6
111.11751	2.9
117.07052	5.0
119.08575	33.4
121.10151	48.2
121.11026	3.7
123.11713	28.4
125.09634	5.3
126.28148	2.8
131.08585	5.2
133.10127	31.1
133.26949	3.1
135.11710	44.1
137.13271	12.6
139.11154	5.4
145.10158	9.8
147.11693	21.8
149.13277	50.2
149.38986	2.4
157.10219	3.1
159.11710	9.7
161.13268	25.3
163.14883	23.5
173.13289	8.1
175.14862	16.3
177.16402	15.2
179.14369	10.1
187.14833	11.3
189.16394	17.4
191.01556	2.9
191.17964	50.3
201.16417	8.1
203.18013	28.1
205.19473	18.9
207.17332	4.3
215.18025	7.9
217.19518	43.3
229.19521	8.4
231.21123	9.5
233.18988	13.4
235.20647	9.0
245.22629	7.1
290.37955	2.9
407.36810	18.7
425.37885	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03928	3.4
55.05515	21.0
57.07071	6.4
57.13770	2.0
65.03937	2.3
66.37262	2.0
67.05505	33.4
69.03436	2.4
69.07073	26.2
70.77548	5.2
79.05499	19.0
81.07059	75.4
83.08633	16.5
91.05491	10.8
93.07050	46.4
95.04990	4.2
95.08612	100.0
97.06506	3.3
97.10162	9.4
97.80380	2.1
103.02389	2.1
105.07043	34.2
107.08603	69.4
108.08981	2.7
109.10162	75.7
111.08121	3.2
111.11742	5.5
111.82881	2.1
117.07014	2.4
119.08585	46.5
121.10155	58.9
123.08113	3.8
123.11711	36.3
124.16777	2.0
125.09627	9.6
127.11164	3.2
131.08557	8.7
131.62340	2.4
133.10136	28.9
135.11707	50.8
137.13280	26.4
142.01367	2.5
145.10104	15.4
147.11693	32.1
149.13272	35.2
151.11209	2.5
151.14816	5.4
157.10144	3.9
159.11679	21.7
161.13261	29.5
163.14822	25.8
171.11711	3.1
173.13306	8.3
175.14856	16.0
177.16432	9.4
179.14406	5.1
187.14864	8.6
189.16394	21.8
191.17957	37.1
199.14830	3.9
201.16481	11.7
203.17955	24.2
205.15907	2.6
205.19518	14.8
207.17467	7.0
213.16483	3.9
215.17934	12.9
217.19533	27.9
219.21098	4.8
229.19495	4.1
231.20898	3.1
233.19064	6.3
235.20592	4.6
241.19579	3.6
243.21036	3.5
257.22696	3.8
286.83124	2.4
407.36945	16.9
425.38046	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.05517	14.3
57.07072	5.4
65.03937	2.0
67.05511	31.2
69.03459	3.0
69.07074	23.9
69.34799	5.8
69.35223	10.5
79.05502	21.1
81.07069	72.0
83.08617	11.4
84.56635	2.0
91.05482	15.0
93.07050	48.5
95.04982	2.9
95.08617	100.0
97.06506	6.3
97.10172	8.1
101.43339	1.7
101.43996	2.4
105.06380	2.8
105.07045	35.9
107.08608	79.6
109.06562	2.2
109.10170	85.0
109.10918	4.1
111.08052	2.7
111.11728	3.9
119.07807	2.7
119.08596	41.4
121.10149	60.9
123.08099	3.6
123.11719	30.5
125.09641	5.3
131.08569	8.8
133.10156	29.3
135.08073	2.1
135.11702	45.9
137.13271	14.3
143.08559	2.3
145.10130	14.9
147.11708	33.4
149.13284	34.7
151.11227	2.9
151.14798	3.1
157.10187	2.3
159.11714	16.9
161.13264	27.5
163.14857	25.1
165.09224	2.2
173.13243	9.4
175.14799	16.3
177.16402	14.0
179.14317	4.1
185.13260	2.8
187.14861	8.1
189.16396	25.2
191.17973	43.7
199.14944	3.4
201.16423	13.7
203.17963	27.5
205.15793	2.6
205.19569	13.1
207.17519	6.2
213.16470	3.5
215.18002	10.7
217.19548	31.8
219.17610	2.1
219.21059	3.0
221.19077	2.9
227.17986	3.2
229.19505	4.4
231.21075	3.7
233.18924	2.2
235.20601	3.9
239.18077	2.0
241.19479	2.4
243.21065	3.9
245.22731	3.6
257.22482	3.9
269.22705	2.7
271.24170	2.8
351.53296	2.1
374.11804	1.9
407.36969	15.1
425.38022	54.6
426.38364	2.8
444.47549	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	425.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15461	1.8
52.08164	1.6
53.03954	2.2
55.05515	13.7
56.54644	1.8
57.07074	5.6
65.03922	2.5
67.05507	44.6
68.95335	2.1
69.07075	22.1
71.59312	2.2
75.02431	1.5
79.05506	10.1
81.07060	46.1
83.08622	7.7
84.40439	1.9
91.05486	11.4
93.07058	29.5
95.04978	2.6
95.08613	49.3
97.06548	3.7
97.10143	5.0
105.07032	31.8
107.08607	49.2
107.86546	1.9
109.10165	100.0
111.08052	4.2
117.07072	3.2
119.08595	35.4
121.10155	33.2
123.08064	5.1
123.11723	15.3
131.08591	7.3
133.10138	28.9
135.08054	3.0
135.11705	28.6
137.09659	2.4
137.13275	8.0
143.08549	3.3
145.10124	12.5
147.11714	27.7
149.13269	14.9
151.11105	2.6
156.09288	2.2
157.10129	4.0
159.11665	11.0
161.13266	25.6
163.14835	12.9
169.10124	2.0
171.11668	4.9
173.13245	5.7
174.10388	1.9
175.14848	9.5
177.16370	3.5
178.40627	1.9
179.14291	13.1
181.86795	1.7
185.13322	2.3
187.14838	7.6
189.16434	16.3
191.17967	13.2
197.13361	3.3
199.14687	3.0
201.16316	9.2
202.35391	1.9
203.18001	29.6
205.19569	6.4
207.17424	9.4
215.17969	6.1
217.19528	31.0
227.18013	2.5
231.21159	2.6
235.16798	2.1
245.22701	2.6
255.21233	3.8
259.24362	2.2
285.94449	2.1
333.27899	4.1
407.37488	9.5
425.32712	18.5
425.37796	27.1
426.43866	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	2.9
53.75621	1.5
55.05513	16.2
57.07068	6.8
61.11898	1.6
65.03979	1.8
67.05509	32.4
69.03439	2.3
69.07073	25.4
71.05012	2.3
71.08629	4.5
78.20034	1.4
79.05499	18.3
81.07064	68.1
83.08616	14.8
90.72891	1.4
91.05488	15.5
92.05788	1.6
93.07048	43.3
95.08611	100.0
97.06541	2.9
97.10188	8.4
98.57545	1.6
99.08079	2.8
105.07037	37.0
107.07867	2.8
107.08601	68.2
109.10162	83.6
111.08093	3.4
111.11748	5.3
111.58651	1.7
115.34088	1.5
117.07008	4.4
119.08587	40.9
120.83527	1.6
121.10149	49.2
123.11703	35.2
125.09618	6.3
127.11171	2.2
129.06993	1.8
131.08582	9.5
133.09250	1.3
133.10136	30.4
135.11696	43.6
137.09698	1.7
137.13269	18.1
140.48738	1.8
143.08589	3.6
145.10141	13.8
147.11693	31.2
149.13255	33.9
151.11288	2.2
151.14873	3.1
157.10132	4.5
159.11713	15.4
161.13275	29.3
163.14832	18.8
171.11719	2.2
173.13263	10.4
175.14836	11.5
177.16367	8.5
179.14339	7.4
179.17961	2.3
185.13289	2.5
187.14857	7.5
189.16403	16.9
191.17966	36.2
199.14877	3.0
201.16357	12.9
203.17976	22.6
205.15930	4.2
205.19514	11.8
207.17477	4.3
213.16388	2.5
215.17981	10.3
217.19536	27.9
219.17450	2.6
219.21091	4.1
221.19087	2.7
227.17937	2.4
229.19550	2.9
231.21072	3.5
233.19063	3.3
235.20714	2.0
243.21152	4.7
245.22655	3.3
255.21297	2.0
257.22827	4.3
262.47360	1.6
269.22638	2.5
271.24246	3.2
285.25543	1.9
371.90894	1.8
407.37036	13.9
425.33081	3.1
425.38333	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03929	1.7
55.05515	8.3
55.45081	1.6
57.07066	3.5
62.11564	1.3
64.07041	1.5
67.05513	15.4
69.03417	2.8
69.07079	19.8
70.30467	1.7
70.30806	4.7
74.09692	2.3
79.05492	12.6
81.07066	30.8
83.04991	2.3
83.08619	8.3
89.06010	3.2
91.05473	11.1
93.07050	26.4
95.04942	3.3
95.08616	44.4
96.08891	1.6
97.06524	3.3
97.10181	2.9
105.07030	20.5
107.08606	38.5
109.06544	3.0
109.10159	28.9
111.08079	3.3
117.07008	3.7
119.07779	2.9
119.08591	31.9
121.10147	28.5
123.08065	3.4
123.11697	15.8
125.09573	2.3
129.06946	3.7
131.08569	11.5
133.08595	3.0
133.10138	20.8
135.08043	3.8
135.11713	23.7
137.09624	2.8
137.13248	5.4
139.11198	2.9
141.81102	1.5
143.08568	6.8
144.09323	3.4
145.10132	18.0
147.08034	3.8
147.11678	18.4
149.13280	11.2
150.56395	1.8
151.11206	7.3
153.12805	2.1
157.10120	9.2
159.08116	1.7
159.11705	13.5
161.09601	3.0
161.13231	14.8
163.11169	5.2
163.14853	17.5
165.12781	14.7
167.14264	2.6
169.10135	2.6
171.11725	5.1
173.09686	1.8
173.13287	11.8
175.11177	3.9
175.14828	7.5
177.12740	5.0
177.16365	5.9
179.14285	8.6
183.11731	4.8
185.13280	7.3
187.11223	2.0
187.14854	12.4
189.12756	4.9
189.16473	10.3
191.14325	5.7
191.18013	2.6
197.13213	3.5
199.14816	5.0
201.12729	4.2
201.16460	8.6
203.14378	16.1
203.17892	4.0
205.15973	9.7
209.13191	2.0
211.14825	2.1
213.16371	4.8
215.14413	3.1
215.17966	5.4
217.15880	16.1
217.19548	3.6
227.17967	5.7
229.15846	2.7
229.19528	4.2
231.17458	3.7
239.17918	2.1
241.19566	2.9
243.21120	15.9
245.19112	2.2
253.19585	7.2
253.97244	1.6
255.20969	3.6
257.18948	4.7
257.22589	2.3
257.51279	1.8
261.22192	9.3
267.21100	3.5
269.18936	1.9
269.22403	3.7
271.20517	8.4
273.22256	1.8
283.20673	2.3
285.22150	3.7
311.23804	2.2
347.48935	1.8
353.20114	1.7
389.31958	4.5
407.32965	16.6
425.21823	3.4
425.34116	100.0
426.34412	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.39408	4.1
53.03954	4.6
55.05513	20.0
57.07066	13.0
67.05506	36.2
69.07079	27.9
70.19530	15.0
79.05491	16.6
81.07063	57.3
83.08619	15.3
83.38816	2.9
85.06531	7.8
86.41631	3.2
89.06036	8.6
91.05484	31.8
93.07054	61.8
95.04984	5.6
95.08615	86.6
97.06515	4.3
97.10172	6.9
98.20869	4.5
99.08100	34.1
105.06396	4.3
105.07043	60.5
107.08605	89.5
109.10168	81.9
110.44427	3.9
111.08088	9.3
117.07049	11.6
119.08585	90.8
121.10154	87.6
123.08102	5.4
123.11715	31.9
125.09575	5.7
127.07578	9.7
128.06262	4.6
129.07040	7.3
131.08592	42.3
133.08601	5.0
133.10135	76.8
135.08078	12.0
135.11703	51.9
137.13284	8.7
143.08600	13.4
144.09319	4.4
145.10149	52.6
146.10930	4.3
147.08008	6.2
147.11707	51.7
147.96834	3.9
149.09639	4.9
149.13274	21.0
151.11198	6.4
151.14818	4.6
155.08603	4.0
157.10132	24.3
159.11711	46.4
161.09653	7.9
161.13263	30.2
163.11250	6.9
163.14877	24.0
165.12753	4.1
169.10165	6.9
170.10942	5.8
171.11673	23.7
173.13261	37.0
175.11200	12.6
175.14864	23.9
177.12790	6.6
177.16408	12.8
183.11668	9.7
185.13255	24.3
186.13919	3.8
186.20363	3.8
187.14853	53.8
189.16389	35.5
191.14346	4.8
191.17946	20.8
193.15837	4.1
197.13237	10.3
199.14848	25.5
201.16397	98.1
203.14337	11.0
203.17973	22.3
205.15895	17.7
207.17387	4.9
211.14830	8.5
213.16466	16.4
215.14459	4.9
215.17957	13.8
217.15883	12.4
217.19499	8.3
219.17523	8.3
225.16446	6.8
227.18016	11.6
229.19562	7.2
231.17563	6.8
235.16919	7.3
239.14923	4.7
245.19025	8.5
255.21176	6.4
257.19040	5.0
285.22058	5.1
311.23691	4.6
325.25516	4.0
335.27283	5.4
337.25314	6.0
353.28323	5.3
389.31949	4.0
395.32996	7.1
407.33115	58.4
425.21774	20.9
425.28772	6.9
425.34015	100.0
426.34470	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	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05515	20.9
57.07074	10.9
67.05499	30.3
69.07082	28.9
71.04247	6.7
79.05501	25.0
81.07064	46.9
83.08617	10.3
91.05470	30.1
93.07059	53.1
95.04971	6.3
95.08617	67.7
97.44289	3.7
99.08107	39.5
105.07050	66.7
107.08603	69.7
109.10172	49.6
111.08089	8.5
116.78538	4.4
117.07048	6.1
119.08589	73.7
121.10162	64.9
122.10489	5.5
123.08101	6.2
123.11711	16.0
126.92201	3.7
127.07566	9.1
129.06898	5.6
131.08589	38.8
133.10155	56.6
135.08076	17.0
135.11720	50.5
137.09554	4.2
137.13213	9.6
143.08562	12.0
143.67035	4.4
144.09395	4.5
145.10141	42.7
147.11688	37.8
149.09641	4.6
149.13281	23.6
155.08600	4.8
157.10143	17.4
158.10736	3.8
159.11729	37.1
161.09671	4.6
161.13315	25.1
163.14842	17.0
165.12682	4.4
169.10097	11.0
171.11720	17.2
173.13275	22.9
175.11391	7.5
175.14902	22.3
177.16406	16.0
183.11713	9.7
185.13307	20.4
187.14838	31.3
189.12827	5.8
189.16460	19.6
191.14261	5.9
191.17934	21.4
197.13264	7.8
199.14822	14.6
201.16406	49.8
201.54973	4.1
203.14352	12.6
203.18024	15.4
205.15892	16.1
211.14807	10.5
213.16443	15.0
215.17883	9.7
217.15971	10.6
217.19617	7.4
223.14804	4.6
227.17830	7.5
229.19565	4.2
231.68953	4.1
235.16862	4.9
239.18134	4.2
241.19452	6.0
245.19127	5.8
271.20645	5.0
321.13318	4.4
325.29343	4.2
353.28305	4.5
389.32211	6.9
401.59094	3.7
407.33176	49.3
425.28906	6.7
425.34161	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	425.3416
Annotation	Maragenin II
Peak:m/z	Relative Intensity
51.29783	2.3
55.01851	2.2
55.05512	14.0
57.07069	5.7
58.90525	2.2
59.88625	2.1
67.05499	23.0
69.07065	18.8
71.48306	4.5
75.12901	2.1
79.05492	21.6
81.07057	38.8
83.08621	8.9
85.06553	2.5
91.05492	27.4
93.07042	44.3
95.08610	82.7
97.06536	4.3
97.10139	2.7
99.08098	12.4
105.07040	59.2
105.07771	3.1
107.08598	100.0
109.06503	2.7
109.10161	41.4
111.08086	2.9
117.07009	7.6
119.07899	2.1
119.08584	62.9
121.10148	64.3
123.08047	4.0
123.11713	17.6
125.09646	8.6
129.07001	2.7
131.08551	22.6
133.10139	47.0
135.08057	6.0
135.11699	32.9
137.09642	9.9
137.13234	5.5
143.08574	8.7
145.10120	30.3
147.11685	41.3
149.09619	6.2
149.13292	14.4
151.11208	5.4
155.08598	3.2
157.10149	13.9
159.11705	28.6
161.13261	21.5
163.14835	7.7
165.09132	6.8
169.10118	4.0
171.11679	11.4
173.13246	22.5
175.14854	27.9
177.16388	43.9
179.14394	2.7
183.11734	6.7
185.13290	11.5
187.14803	24.4
189.16399	15.4
191.17966	9.7
197.13197	4.8
199.14809	10.6
201.16368	24.9
203.18062	8.3
205.15913	8.1
207.17393	4.5
211.14809	6.7
213.16422	8.3
215.17984	27.5
217.15935	5.9
217.19481	10.8
219.17444	6.3
225.16360	3.2
227.17891	10.4
229.19519	5.4
231.17470	6.1
233.19043	11.4
241.19511	3.3
245.19023	9.2
255.21147	3.2
257.18994	3.5
271.20612	3.0
283.20538	4.0
285.22046	3.7
287.23807	3.7
299.23795	2.5
301.25244	2.9
326.87592	2.4
335.27390	10.8
337.25311	3.1
353.28333	6.2
389.31967	5.5
397.34625	2.8
407.33133	56.6
408.33563	3.1
425.34259	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03922	3.3
55.05518	14.3
57.07070	5.5
58.72762	2.0
67.05508	24.2
69.07070	16.7
69.49724	8.5
69.50152	8.2
71.30495	2.0
79.05115	2.2
79.05509	22.2
81.07063	41.9
83.08633	8.9
85.06556	4.9
90.35390	2.0
91.05486	22.4
93.07048	46.0
95.05028	2.5
95.08618	57.6
97.10169	4.0
99.08116	16.9
105.07045	50.4
107.08599	62.8
109.06542	3.3
109.10159	35.8
115.05460	2.2
117.07024	8.6
119.08593	82.9
121.10151	46.1
123.08083	4.7
123.11723	18.3
129.07031	4.3
130.07799	2.7
131.08580	40.6
133.10133	53.2
133.11082	4.2
135.08072	3.7
135.11697	33.8
137.09624	3.4
137.13278	6.9
142.07809	2.5
143.08594	11.5
143.33629	2.0
144.09319	3.3
145.10123	44.7
147.11700	73.3
149.09628	5.2
149.13283	18.4
155.08641	4.5
157.10158	18.2
158.10883	3.4
159.11700	36.3
161.09625	3.0
161.13257	19.4
163.11169	4.1
163.14815	15.8
165.12750	5.3
169.10146	6.3
170.10942	4.7
171.11653	14.9
173.13277	24.6
175.11266	14.3
175.14845	19.5
177.12718	3.5
177.16370	14.6
179.14296	2.5
183.11705	9.2
185.13243	17.6
186.14128	3.0
187.14833	45.7
189.12784	2.9
189.16428	20.1
190.13560	30.8
191.14314	4.0
191.18073	7.6
197.13272	7.7
199.14893	13.8
201.16396	46.2
202.16936	2.7
203.14348	7.0
203.18018	8.9
205.15898	46.0
207.17377	3.7
211.14847	10.5
213.16368	15.1
215.17993	16.5
217.15921	3.5
217.19583	8.3
219.17485	8.5
225.16525	4.6
227.18019	9.4
229.19533	8.5
231.17523	8.0
239.18027	3.1
241.19571	3.9
243.17506	2.7
245.19066	7.3
253.19553	4.7
255.21051	4.1
267.21182	6.3
269.22620	2.8
271.20706	3.6
279.21191	3.3
285.22070	3.3
293.22638	3.1
335.27396	6.3
337.25314	3.6
353.28381	8.5
389.32043	8.8
395.33331	5.9
407.33145	97.3
408.33383	3.7
425.34177	100.0
428.42462	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	425.3415
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03949	3.8
55.04589	1.3
55.05507	15.0
55.57055	1.4
57.07068	6.2
62.46309	1.6
65.03926	1.6
67.05506	31.3
69.07074	21.9
69.43561	12.8
73.57888	1.2
77.03947	1.3
79.05505	22.3
81.07061	100.0
83.08626	9.7
85.87936	1.4
89.06017	4.5
91.05488	19.6
93.07053	52.1
95.04974	2.3
95.08609	80.3
97.10146	4.8
99.04445	1.6
105.07035	36.0
107.08601	59.9
109.06500	2.3
109.10164	63.9
111.08076	2.8
111.11710	2.6
117.07041	4.9
119.08589	53.6
121.10149	56.2
123.11711	55.6
125.09665	1.9
129.06998	2.6
131.08549	11.3
133.08646	2.0
133.10143	43.8
134.90613	1.5
135.11697	75.1
136.12012	1.9
137.13277	9.2
143.08565	4.2
145.10129	16.6
147.08130	1.9
147.11697	29.3
149.13271	13.0
153.09106	4.4
156.36121	1.5
157.10129	3.1
159.11723	14.6
161.13246	19.9
163.14835	22.8
165.09064	1.6
165.16425	4.9
167.10757	2.9
169.10104	1.5
171.11700	6.3
173.13280	17.3
175.14842	25.5
177.16400	44.1
179.10716	2.8
179.31184	1.6
181.12241	1.6
183.11751	2.2
185.13220	4.9
187.14838	9.5
189.16388	58.8
191.14328	1.7
191.17953	19.3
199.14839	5.1
201.16409	15.0
203.14384	3.4
203.17966	45.4
205.15877	1.6
205.19609	4.4
213.16370	8.5
215.17969	40.7
217.15874	1.7
217.19542	6.5
219.13889	1.6
221.15376	2.0
221.19093	1.7
227.17917	4.6
229.19463	4.2
231.17386	2.2
231.21136	3.5
235.16972	5.3
240.15131	2.4
241.19475	8.8
243.21089	28.4
245.22714	2.6
247.16963	5.8
249.18599	8.1
255.21008	9.4
257.22675	4.8
259.17038	2.6
261.18524	37.0
269.22681	7.7
271.20615	1.8
273.18683	1.7
275.19952	2.1
283.24158	4.4
287.20154	5.0
289.21628	19.6
301.21597	8.1
303.23206	3.3
315.23141	8.2
337.28970	3.3
355.26498	1.6
379.33618	23.2
407.32791	6.9
408.33850	1.8
425.34149	85.6
426.34641	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	425.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
55.05510	17.4
57.07077	5.8
57.57359	2.0
59.04982	3.8
67.05517	22.6
69.03448	3.1
69.07068	22.0
69.66031	4.1
69.66432	13.0
69.93452	1.9
77.67889	1.8
78.24268	2.1
79.05499	20.5
81.07063	49.1
83.05006	3.0
83.08629	12.5
91.05479	31.4
91.06000	2.7
91.17146	1.9
93.07053	63.5
95.04998	4.5
95.08612	77.8
97.06515	2.7
97.10184	3.8
98.21390	3.3
99.08109	6.9
105.07034	68.0
107.08598	94.2
109.10158	46.2
111.08079	3.4
117.03432	3.6
117.07028	15.2
119.08586	94.7
121.06541	4.9
121.10154	70.4
121.11031	3.5
123.08077	2.7
123.11695	17.3
128.06305	2.4
129.07002	3.7
131.08574	44.7
133.10138	62.7
135.08101	7.9
135.11700	42.0
137.09618	4.1
137.13243	3.4
143.08568	13.6
144.09392	6.1
145.02899	3.4
145.10130	59.3
147.11694	77.6
149.09627	3.5
149.13258	34.2
151.11235	3.8
156.09415	3.7
157.10126	20.6
158.10989	6.7
159.11703	49.6
161.09628	4.5
161.13268	30.4
163.11142	14.8
163.14830	32.4
165.09099	11.1
169.10216	6.2
170.11000	3.5
171.11720	15.3
172.12460	3.7
173.13293	36.8
173.14673	3.2
175.11261	4.6
175.14841	36.3
177.05511	5.7
177.12817	6.9
177.16396	24.1
183.11823	5.0
185.13251	17.0
187.14845	59.6
189.09241	2.8
189.16382	39.4
191.14400	8.5
191.18001	7.7
195.13962	2.3
197.13303	4.1
199.14827	16.6
201.16393	97.2
201.18228	4.7
203.14322	5.1
203.17979	35.0
205.15895	61.6
207.17508	8.0
209.13220	2.5
211.14969	3.9
213.16527	6.9
215.14325	6.6
215.17990	16.3
217.15936	6.0
217.19580	7.3
219.17439	16.6
221.15379	2.4
223.16940	18.4
225.16341	2.1
227.18011	8.1
229.19601	6.9
231.17511	5.9
239.17889	3.8
241.19614	7.9
242.06073	2.2
243.21140	4.2
245.19109	5.0
253.19585	3.5
255.21219	7.5
257.22684	2.6
269.22693	4.7
283.20752	3.4
353.28317	3.3
365.28482	4.0
389.32129	6.4
395.33209	5.8
407.33148	39.1
425.34274	100.0
426.34595	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.59893	1.9
53.03933	3.6
55.05516	15.0
57.07098	5.2
65.03929	2.0
67.05507	29.2
69.03434	2.9
69.07069	22.5
70.21049	2.5
70.21385	8.9
79.05498	25.0
81.06586	2.9
81.07057	46.2
83.04962	2.6
83.08633	11.8
85.06538	2.7
91.05489	33.5
93.07056	54.1
93.70575	2.2
95.04983	3.9
95.08614	73.2
97.06508	4.1
97.10180	4.6
99.08112	14.4
105.07037	73.0
107.08595	80.3
109.06507	2.7
109.10167	40.1
111.08083	3.7
112.97454	2.1
116.06277	2.5
117.07059	11.1
119.08585	100.0
121.06485	3.4
121.10152	62.9
123.08095	5.0
123.11715	18.1
128.06345	2.3
129.07007	5.7
130.07825	3.8
131.08569	48.3
133.10133	59.8
135.08128	5.2
135.11696	34.5
137.09627	6.6
137.13206	5.9
143.08563	13.8
144.09306	2.9
145.10136	53.9
147.07898	2.2
147.11691	78.6
149.09633	8.1
149.13257	21.5
151.11128	3.2
155.08621	4.3
156.09344	3.3
157.10101	12.2
158.10841	4.5
159.11687	40.7
161.09660	3.3
161.13257	20.5
162.22621	2.3
163.11163	14.6
163.14810	21.5
165.09114	29.5
165.12730	4.3
169.10118	2.4
170.10870	4.4
171.11707	12.3
172.12479	3.9
173.13283	27.3
175.11237	7.6
175.14842	30.4
177.12825	5.3
177.16400	23.6
178.16792	2.5
183.11708	5.3
185.13254	15.1
187.14830	63.1
187.16435	4.1
189.12747	3.8
189.16382	32.1
190.13597	3.4
191.17982	6.3
197.13304	5.3
199.13283	3.1
199.14842	17.2
201.16396	88.2
203.14371	6.4
203.17955	12.7
205.15889	62.0
205.19681	2.8
207.17513	6.8
209.13336	3.2
211.14851	5.9
213.16342	11.5
214.17186	2.5
215.14519	5.0
215.18083	9.5
217.15929	8.4
217.19475	3.4
219.17528	14.1
223.14812	3.7
223.16991	3.7
225.16548	2.7
227.17937	6.8
229.19566	5.5
231.17407	8.1
239.18031	2.7
241.19495	5.1
245.19014	4.1
255.21193	6.2
257.18915	2.2
259.20621	2.7
265.19757	2.4
267.21228	3.3
269.22748	3.2
281.22827	2.5
287.03769	21.0
289.05292	15.0
314.69287	2.4
335.27063	2.7
353.28580	6.1
389.32236	4.5
395.33301	5.7
407.33176	45.9
411.49255	2.4
425.17828	8.6
425.34229	95.1
426.34653	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	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03955	3.6
55.05516	12.3
57.07068	4.1
63.64093	1.5
65.03933	2.7
67.05502	24.1
67.84692	1.3
69.07070	22.3
79.05500	20.3
81.07059	42.1
83.05011	2.0
83.08608	10.0
85.06535	4.0
86.20425	1.3
91.05486	28.2
93.07053	51.4
95.04980	7.6
95.08612	71.9
97.06532	2.7
97.10181	3.6
99.08104	7.1
105.07037	65.4
106.38416	1.3
107.08601	72.2
109.06525	5.2
109.10160	36.0
111.08098	3.5
117.03346	1.8
117.07035	8.5
119.08585	78.8
121.06528	4.4
121.10151	55.5
122.10523	1.6
123.08076	3.1
123.11704	13.6
125.09659	2.0
128.06245	2.2
129.07025	4.2
130.07811	3.3
131.08574	40.6
131.09512	2.6
133.10133	47.6
135.08055	5.4
135.10690	2.2
135.11705	30.5
137.09630	4.4
137.13271	5.6
142.07819	2.8
143.08548	9.9
144.09386	1.7
145.02805	1.8
145.10129	43.9
147.08087	3.1
147.11697	68.1
149.09608	5.1
149.13274	36.9
151.11227	2.5
156.09370	2.5
157.10141	14.0
158.10896	3.2
159.11713	33.7
161.09654	4.6
161.13297	22.1
163.11171	12.5
163.14842	32.3
163.16095	2.7
169.10095	2.9
170.10931	2.6
171.11687	9.2
172.12497	1.9
173.13281	39.9
175.11201	7.2
175.14824	29.9
177.05463	4.2
177.12814	4.9
177.16388	26.5
177.17830	2.3
183.11781	4.1
185.13313	11.6
187.14827	46.1
189.12749	1.7
189.16397	28.1
190.13481	3.5
191.14302	22.0
191.17973	9.5
193.10390	1.6
193.12280	6.1
193.16006	2.3
195.11696	2.0
197.13318	2.4
199.14841	8.4
201.16400	53.7
201.18245	3.0
203.14352	13.3
203.17975	60.5
205.06256	1.7
205.15892	37.1
205.19437	2.7
207.17482	3.0
211.14885	2.9
213.16455	6.6
215.18044	5.7
217.15955	6.6
217.19489	3.2
219.17490	6.1
221.15387	15.5
223.14827	1.7
223.16948	3.6
225.16498	1.9
227.17995	6.8
229.19576	4.4
231.17476	4.5
231.20982	3.5
239.17972	3.1
241.19576	3.8
243.17552	1.7
243.21045	2.7
245.19017	3.4
247.16920	3.5
253.19504	3.1
255.21147	4.4
257.19046	2.3
259.20612	2.1
267.21069	2.9
269.22662	3.3
293.22867	1.9
319.24191	1.9
322.78421	1.7
335.27631	2.5
353.28387	3.4
365.28482	2.3
389.32376	3.2
395.33148	5.5
407.33151	35.1
425.34219	100.0
426.34509	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	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03959	2.7
55.05515	19.8
57.07087	5.1
61.47713	1.6
65.03957	2.7
67.05514	24.4
69.03443	3.5
69.07074	27.1
69.65684	7.8
69.66093	2.9
79.05501	24.8
80.06324	1.7
81.03452	2.7
81.07069	44.4
83.04997	2.5
83.08624	11.3
85.06562	3.6
87.06387	2.0
89.03967	2.6
91.05487	32.3
93.07056	55.4
93.07620	3.2
95.04994	3.1
95.08620	74.5
97.02916	1.9
97.06553	3.1
97.10202	4.5
98.21462	3.4
99.04494	2.0
99.08090	11.9
103.05521	1.9
105.07043	69.4
106.62458	1.6
107.05009	2.0
107.08605	84.5
107.59843	1.4
109.06555	5.0
109.10166	39.2
111.08091	4.4
113.09673	2.0
117.03422	7.6
117.07022	10.4
119.08596	100.0
120.08926	3.0
121.06550	3.8
121.10159	63.4
123.08099	4.4
123.11724	18.5
125.09690	2.9
129.07065	4.8
130.07796	3.8
131.08588	41.9
131.09500	2.6
133.10147	59.8
134.10533	2.0
135.08052	8.0
135.11707	42.8
137.09639	5.1
137.13258	4.6
142.07805	2.9
143.08601	8.1
144.09338	2.7
145.02867	16.0
145.10138	58.8
145.11272	3.0
147.08098	1.7
147.11703	75.2
149.05949	2.2
149.09663	5.9
149.13284	32.0
151.11235	4.8
155.08670	2.2
157.10130	14.1
158.10982	4.2
159.11725	46.8
161.09726	2.4
161.13272	26.9
163.11195	14.9
163.14847	26.3
165.09138	8.0
165.12823	2.0
167.09013	1.6
169.10181	3.8
170.10974	4.5
171.11711	13.4
172.12505	2.3
173.13295	30.7
174.13858	1.8
175.11267	6.8
175.14845	34.7
175.16238	2.4
177.05502	21.9
177.12814	6.7
177.16411	26.1
183.11781	4.6
184.12500	1.9
185.13298	14.6
187.14851	64.7
189.12836	3.6
189.16426	32.1
191.14406	6.8
191.18054	6.9
195.13902	1.9
197.13353	4.4
199.14825	13.2
201.16409	95.9
202.16684	2.9
203.14442	4.4
203.17986	27.4
205.15906	60.2
207.17476	8.5
211.14885	2.9
213.16432	10.4
213.87984	1.7
215.14409	3.3
215.18013	12.2
217.16017	5.5
217.19606	5.0
219.17505	13.9
221.15431	3.7
223.15047	2.7
223.16875	8.0
225.16412	4.0
227.18085	7.2
229.19563	3.7
231.17548	7.2
233.19139	3.9
239.18111	4.7
241.19666	4.9
243.21185	2.3
245.19196	5.4
251.17963	1.8
253.19672	4.1
255.21159	7.7
257.19400	3.6
257.22821	2.2
259.20807	2.1
269.22794	3.1
283.20767	2.3
285.22263	2.2
295.20670	1.7
327.48544	2.0
335.23590	1.5
337.25494	2.0
353.28519	5.2
365.28616	5.8
367.30026	2.7
389.32059	7.5
395.33246	5.2
397.34903	2.6
407.33249	32.8
425.34317	80.4
426.34750	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	425.3417
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
50.88589	1.1
53.03955	2.6
54.19308	1.1
55.05294	1.1
55.05516	10.9
57.07084	2.1
59.05001	1.0
67.05165	1.5
67.05508	18.2
69.03435	1.8
69.06723	1.5
69.07072	23.3
79.05499	19.2
79.34075	1.0
79.87245	1.1
81.07063	44.1
83.08628	7.8
91.05484	20.1
93.07050	44.8
95.04977	8.5
95.08612	67.4
96.08969	1.2
97.06531	2.4
97.10186	4.0
98.21507	2.3
103.05521	1.3
105.07037	53.6
107.04937	1.4
107.08601	59.8
109.06516	3.7
109.10162	34.2
111.11712	1.3
115.05489	1.6
117.07024	4.3
119.08588	46.8
121.06520	7.7
121.10151	38.8
123.08086	3.9
123.11713	11.1
125.09619	1.1
128.06171	1.3
129.07047	2.9
130.07787	1.7
131.08582	26.9
133.10138	38.7
135.08076	3.3
135.11691	17.4
137.09692	1.5
137.13239	2.8
142.07805	3.4
143.08546	6.8
145.10143	26.9
147.08025	2.5
147.11696	27.2
149.09631	2.8
149.13268	39.9
155.08549	1.6
156.09366	1.7
157.10103	8.8
158.10855	1.6
159.11713	12.6
161.09608	5.7
161.13263	16.5
163.11223	8.8
163.14833	40.2
165.09224	2.2
165.20026	1.0
167.10579	1.1
169.10204	2.0
170.11011	1.3
171.11673	6.1
173.13280	36.9
174.13780	1.3
175.11244	10.0
175.14839	29.5
177.05510	3.5
177.12820	2.7
177.16409	23.6
179.14297	1.0
183.11729	1.7
185.13217	6.7
187.11226	1.4
187.14810	18.0
189.12791	4.3
189.16386	19.3
191.14316	33.1
191.17953	10.8
193.12270	9.5
193.15947	3.7
197.13290	1.7
199.14874	4.7
201.12851	1.6
201.16377	8.8
203.14357	17.1
203.17970	100.0
204.18347	3.4
205.15938	3.5
205.19592	4.2
207.17416	1.1
210.23683	0.9
211.14786	2.2
213.16412	4.1
215.14351	1.4
215.18018	5.6
217.15953	3.7
217.19559	2.3
221.15393	26.1
225.16452	1.4
225.92114	1.0
227.18028	1.6
229.15887	2.6
229.19595	1.7
231.17653	1.5
231.21114	6.2
235.16959	1.6
241.19513	2.0
241.76859	1.1
242.35402	1.0
243.17514	3.3
247.17006	3.9
253.19597	1.4
255.21117	1.7
261.18680	1.6
267.21243	1.3
311.23718	1.4
377.32022	1.3
389.32016	3.5
395.33206	5.0
407.33133	9.9
425.34210	68.0
426.34409	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	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03951	2.6
55.05522	14.5
57.03437	2.4
57.07071	3.4
65.03922	2.5
67.05512	29.7
69.07072	31.3
69.65238	13.0
71.08627	2.3
77.03963	1.9
79.05495	27.1
81.07066	50.2
83.04979	3.1
83.08624	11.4
91.05479	32.6
93.07047	57.4
94.07396	2.7
95.04971	5.6
95.08613	80.2
97.06548	5.5
97.10197	3.2
99.08134	3.3
103.05470	2.6
105.07038	93.5
107.08603	95.8
109.06530	5.5
109.10164	56.1
111.08101	4.6
113.87585	2.2
115.05428	2.8
117.07018	10.9
119.08588	100.0
120.08853	2.1
121.06480	3.0
121.10149	69.5
123.08066	2.0
123.11742	15.9
128.06219	2.9
129.07011	4.7
130.07768	3.7
131.08578	35.5
133.09105	3.8
133.10136	66.2
134.10396	2.1
135.08093	4.1
135.11687	27.6
137.13301	6.3
142.07780	2.7
143.08557	10.9
144.09351	2.4
145.10135	67.9
147.08070	3.0
147.11705	62.2
149.09663	3.8
149.13266	60.9
151.11253	3.9
156.09378	4.2
157.10117	12.9
158.10892	4.3
159.11711	49.2
161.13263	39.1
163.11206	8.3
163.14841	31.6
169.10168	3.0
171.11678	9.9
172.12566	2.3
173.13284	37.8
175.14838	42.0
176.15175	2.0
177.12796	4.8
177.16400	23.2
179.10760	2.6
183.11739	4.4
185.13232	10.3
186.14066	3.3
187.14828	49.0
187.16429	3.1
189.16405	43.0
191.14310	12.0
191.17960	4.2
195.13853	5.5
197.13322	4.2
199.14803	9.6
201.16406	97.5
203.17970	100.0
204.18425	2.2
205.15915	24.7
207.17508	4.8
213.16508	10.0
215.14352	2.5
215.17932	12.9
217.15964	8.1
217.19543	18.7
219.17538	5.6
221.15399	3.4
223.16956	19.2
225.16298	2.1
227.17909	4.0
229.19630	5.1
231.17488	4.4
231.21199	2.7
233.19046	3.8
235.16878	5.3
243.20979	2.8
253.19521	3.9
255.21046	10.4
259.20663	4.7
269.22668	2.7
313.51321	2.1
330.79434	2.0
389.31784	5.1
407.33109	17.8
425.34189	63.6
426.34528	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	425.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.05513	8.6
57.07074	2.3
57.07677	1.2
66.53336	1.2
67.05508	11.0
69.03423	1.2
69.07068	13.0
69.45179	6.7
69.45614	4.2
79.05499	14.2
81.07064	32.4
83.08617	4.6
83.62540	1.3
91.05490	14.0
93.07055	37.1
94.40066	1.4
95.04985	7.0
95.08614	54.9
97.10159	3.0
98.20764	2.1
98.78075	1.3
105.07039	48.5
107.08601	49.3
109.06532	2.2
109.10166	24.3
111.11716	1.7
115.05448	1.5
117.07012	5.0
119.08597	39.5
121.06512	5.7
121.10154	30.6
121.11023	2.1
123.08132	1.8
123.11712	6.8
131.08589	21.0
133.10143	24.5
135.08081	1.6
135.11700	13.7
143.08572	4.6
144.09317	2.5
145.10164	16.2
147.11694	25.2
149.09601	2.1
149.13277	37.6
155.08662	1.7
157.10139	7.2
158.10950	1.3
159.11664	11.4
161.09659	5.3
161.13263	14.9
163.11169	8.4
163.14842	32.2
171.11720	5.5
173.09721	2.5
173.13287	30.3
175.11252	8.7
175.14833	22.7
177.12828	2.5
177.16388	20.3
183.11780	1.8
185.13300	5.4
187.14835	15.7
189.12782	2.0
189.16411	18.4
189.17923	2.1
191.14313	38.6
191.18004	8.0
193.12251	9.0
193.15875	3.4
199.14847	2.8
201.16476	5.6
203.14345	13.5
203.17978	100.0
205.15923	2.3
205.19560	3.9
211.14888	1.7
213.16400	2.6
215.14340	2.0
215.17963	3.8
217.15950	2.2
217.19589	2.3
219.17371	1.7
221.15387	25.7
231.21123	5.2
241.19405	2.4
243.17430	2.1
247.16905	4.1
294.61032	1.3
358.61716	1.6
389.31958	2.6
395.33185	3.6
407.32913	9.0
425.34180	55.0
426.34354	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.23058	2.6
55.05516	15.1
57.07069	4.1
67.05514	19.9
69.07050	15.1
71.58501	3.6
71.58884	2.8
72.29701	2.5
73.98428	2.7
79.05486	18.9
81.07061	37.7
83.04975	2.9
83.08598	8.8
91.05484	24.7
93.07055	47.4
95.08613	79.6
97.10159	3.3
99.08093	9.3
105.04417	2.8
105.07037	58.0
107.08594	81.4
109.06499	3.3
109.10168	34.5
111.08086	4.0
116.92067	2.7
117.07028	10.6
119.08585	83.3
121.10155	64.4
123.11705	13.2
129.07016	5.1
131.08580	39.7
133.10136	55.3
133.11089	5.5
135.08066	7.7
135.11687	38.8
137.09637	4.3
137.13300	4.2
143.08548	9.1
145.10141	58.0
147.11693	88.7
148.12036	3.2
149.09628	6.2
149.13260	24.8
151.11194	4.9
157.10109	15.9
159.11690	45.9
160.12460	3.9
161.13289	25.5
163.11168	10.3
163.14807	21.6
169.10172	4.3
170.10904	2.6
171.11734	13.4
173.13300	29.8
175.11244	6.2
175.14825	28.8
177.12787	3.8
177.16405	27.6
181.70232	2.6
183.11717	5.1
185.13287	15.2
187.14827	62.5
189.16408	29.0
191.14442	3.7
191.17957	10.8
197.13193	4.2
199.14886	9.1
201.16389	97.8
202.16721	3.1
203.14284	4.9
203.17955	18.6
205.15898	61.2
205.19550	3.0
207.17488	6.3
211.14862	3.8
213.16377	7.1
215.14326	3.1
215.18028	10.3
217.15924	4.9
217.19492	4.2
219.17506	12.1
223.16934	8.3
227.17996	7.8
229.19557	6.2
231.17357	3.2
237.18521	3.8
239.18048	4.4
241.19511	3.4
243.21123	3.6
245.19101	4.9
255.21078	4.6
269.22632	3.0
301.21634	2.9
353.28577	6.3
365.28067	2.9
378.49731	2.7
389.32007	4.0
395.33014	5.9
407.33151	39.9
425.34149	100.0
426.34842	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	425.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.0
57.07069	4.0
58.29988	1.5
65.03944	2.2
67.05505	20.9
68.74552	1.3
69.07072	17.6
69.66278	9.6
69.76687	1.3
70.98608	1.4
71.04993	2.0
71.08576	1.5
77.03899	1.7
79.05494	25.0
81.07061	38.6
83.04997	2.4
83.08636	7.6
83.53991	1.5
83.88505	1.6
85.06519	1.8
91.05476	24.1
93.07046	51.0
95.04933	4.5
95.08612	66.7
97.06561	2.0
97.10159	2.4
98.20792	3.4
99.08088	10.7
101.05920	1.5
105.07037	72.1
107.08599	87.4
109.06503	3.5
109.10155	40.7
111.08077	3.1
115.05456	1.5
117.07043	9.2
119.08586	95.5
120.08926	1.7
121.06512	2.1
121.10149	56.5
121.11025	3.0
123.08086	4.2
123.11716	14.6
125.09625	3.0
129.06975	2.9
130.07828	3.2
131.08577	41.4
133.10136	60.7
135.08060	5.7
135.11710	30.1
137.09612	4.3
137.13248	5.4
143.08611	9.6
144.09355	5.0
145.10123	54.8
147.11697	62.9
149.09627	3.5
149.13260	31.9
151.11205	2.9
156.09341	2.2
157.08975	2.0
157.10081	10.2
158.10930	5.1
159.11703	43.8
161.13251	26.4
163.11171	13.6
163.14835	22.4
165.12727	1.8
169.10167	2.6
170.10947	2.9
171.11702	10.7
172.12543	1.5
173.13272	32.6
175.11310	2.0
175.14830	30.8
177.12782	3.9
177.16399	20.7
181.12338	1.6
183.11731	5.3
185.13316	13.8
187.14825	62.4
189.12720	1.9
189.16399	34.7
190.13402	1.8
191.14305	5.8
191.17871	7.5
195.11790	1.8
195.13722	1.9
197.13211	1.8
199.14819	12.2
201.16391	100.0
202.16728	2.4
203.14323	2.9
203.17969	35.0
205.15892	49.5
207.17433	5.3
211.14919	2.1
213.16362	7.2
215.14435	2.1
215.17902	8.1
217.15907	5.1
217.19522	7.8
219.17418	11.8
223.16911	19.5
225.16324	2.4
227.18034	5.1
229.19579	5.0
230.73309	1.6
231.17427	3.7
235.16901	2.1
237.16307	1.4
239.18170	2.4
241.19566	4.2
243.21146	1.6
245.19133	3.4
253.19473	3.3
255.21117	4.2
259.20529	2.7
313.25470	2.2
335.27353	2.1
353.28549	3.9
365.28238	2.9
389.32098	6.8
394.06674	1.5
395.33276	4.0
407.33200	22.9
408.33221	1.7
425.34155	60.6
426.34509	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	425.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.05508	20.7
57.03426	3.8
57.07075	5.1
61.53345	2.1
63.51546	1.9
65.03939	3.3
67.05510	35.7
69.03454	2.7
69.07077	20.4
71.04993	4.1
79.05488	22.5
81.03410	2.2
81.07059	48.9
83.04970	3.1
83.08624	12.7
84.98789	2.5
85.06535	2.8
91.05491	30.4
93.07054	53.9
95.04984	5.8
95.08610	100.0
96.09019	2.3
97.06528	9.3
97.10139	6.3
98.21494	7.1
99.08092	3.8
103.05460	1.9
105.07037	60.9
107.04965	2.7
107.08601	84.7
109.06517	7.4
109.09455	4.4
109.10160	63.3
111.04437	2.1
111.08094	11.1
113.03849	2.0
116.10757	3.8
117.07010	10.1
119.08585	73.1
120.08902	2.2
121.06526	11.9
121.10152	45.0
123.08071	7.3
123.11708	15.0
125.09643	4.8
128.06239	2.8
129.07008	6.3
130.07780	3.6
131.08583	26.7
133.06479	8.0
133.10139	56.5
135.08064	30.4
135.11702	27.1
137.09602	11.1
139.82678	1.8
142.07774	3.5
143.08606	13.1
143.99089	1.9
144.09311	3.2
145.02815	3.7
145.10120	38.5
147.08041	14.5
147.10617	3.9
147.11694	35.8
147.33299	1.9
149.09596	7.0
149.13281	30.2
151.07513	3.8
151.11180	8.5
153.09157	5.7
155.08496	2.4
156.09377	5.8
157.10158	21.6
159.08060	15.9
159.11707	31.3
160.12276	2.0
161.09657	14.2
161.13287	26.0
163.11148	4.6
163.14841	19.3
165.09090	7.9
165.12788	3.0
166.52066	2.3
169.10141	10.2
170.10985	2.9
171.08089	3.2
171.11743	15.1
172.12402	2.5
173.09628	11.9
173.13252	34.8
175.11188	6.8
175.14824	32.3
177.05446	6.8
177.12718	9.5
177.16359	16.3
178.74800	2.0
179.14326	3.0
181.10136	3.8
183.11696	7.8
185.09671	5.4
185.13261	14.4
186.10320	2.3
187.11206	12.0
187.14813	26.1
189.12831	10.4
189.16400	16.3
191.14355	18.4
191.17987	6.6
193.12236	5.9
193.15877	3.2
197.13268	7.3
199.11235	6.1
199.14877	11.3
201.12752	12.7
201.16380	12.3
203.14346	35.4
203.17946	36.8
205.15862	9.8
209.13249	3.8
211.11288	2.6
211.14798	6.2
213.12804	4.1
213.16388	3.7
214.17998	4.4
215.14305	10.5
215.17990	5.7
217.15828	11.4
217.19534	3.3
219.13834	18.3
219.17369	3.9
221.15282	11.6
225.16386	5.5
227.14246	3.6
227.17943	5.5
229.15854	15.6
229.55573	2.4
231.17462	2.5
231.21051	2.6
233.15349	4.0
235.17027	3.5
239.18085	3.0
241.19533	3.8
243.17488	9.5
243.21158	3.0
247.16986	4.1
251.17828	4.8
253.19484	3.0
255.17470	5.0
257.19043	3.9
261.18613	2.5
265.19540	4.5
269.19058	7.1
271.20630	2.4
276.37863	2.4
281.19016	2.3
283.20615	5.1
297.22031	2.7
328.24820	5.9
337.21588	5.3
355.22699	3.1
378.32126	2.5
379.29996	6.7
383.29434	8.3
389.28308	13.5
395.33237	3.8
397.30774	2.3
407.29135	32.1
425.29941	97.2
425.34940	13.1
426.30951	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	425.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01868	7.9
55.05516	20.5
57.03440	4.1
57.07065	7.8
61.02916	4.2
65.03954	3.8
67.05503	35.4
69.03430	18.8
69.07071	37.8
69.55157	15.2
71.04985	5.3
79.05499	29.9
81.03429	13.1
81.07064	65.1
83.04986	6.3
83.08629	15.1
84.08141	9.7
85.02905	26.2
85.06535	9.8
87.00831	9.7
91.05476	35.5
93.07050	63.8
95.00345	3.0
95.04964	13.4
95.08614	100.0
96.09010	2.8
97.02904	9.2
97.06510	7.4
97.10169	8.3
98.21484	5.0
99.04448	2.9
99.08102	8.8
103.03918	2.8
103.05474	2.8
105.01849	2.8
105.07034	76.5
107.08604	84.1
109.02912	5.3
109.06522	8.7
109.10167	55.2
111.04410	3.4
111.08082	9.3
111.11692	5.2
115.03966	3.6
115.05434	5.0
116.15341	2.4
117.07018	15.7
119.04927	2.7
119.08593	76.8
121.06496	11.3
121.10149	63.1
123.08081	6.2
123.11722	22.5
125.09641	6.8
127.03924	8.8
129.01865	3.5
129.07002	7.0
131.08575	38.5
133.06517	4.0
133.10133	49.7
135.08063	9.8
135.11705	31.0
137.06018	2.7
137.09608	10.7
137.13260	3.4
139.11131	5.3
143.08569	19.5
144.09326	3.6
145.02875	5.6
145.05023	2.4
145.06471	2.5
145.10139	50.1
147.08058	7.9
147.11696	67.8
149.05988	2.6
149.09631	8.6
149.13269	29.2
151.07549	2.8
151.11180	5.3
155.08565	7.5
156.09315	2.9
157.10120	24.8
158.10986	5.0
159.08128	3.6
159.11697	37.0
161.09631	8.9
161.13280	25.7
163.03941	4.0
163.11206	10.7
163.14836	26.3
165.09143	14.5
165.12700	3.3
169.10139	10.7
170.10817	2.9
171.11726	14.0
172.12405	3.2
173.09647	3.9
173.13274	34.8
173.14691	4.1
175.11214	7.0
175.14824	34.3
177.05461	12.7
177.12778	4.9
177.16376	30.8
181.10136	3.6
183.11737	9.0
185.09669	3.5
185.13280	13.6
187.11226	4.5
187.14828	36.9
189.09047	3.0
189.12772	7.3
189.16391	22.8
191.10762	3.2
191.14291	11.5
191.18008	5.2
193.12204	4.1
193.15855	2.9
195.11708	4.3
197.13258	8.5
199.13258	2.9
199.14815	17.0
201.12756	6.8
201.16391	45.3
203.14352	7.6
203.17961	33.8
205.15892	27.5
205.19595	3.6
207.17464	7.0
209.13245	3.8
211.11174	4.3
211.14851	7.3
213.16402	10.6
215.14252	4.1
215.17937	7.1
217.15970	13.0
219.17392	15.3
221.15370	9.2
223.14838	3.0
223.17210	2.9
225.16481	4.2
227.14320	5.2
227.17972	5.2
229.15833	3.9
229.19473	3.8
231.17458	7.7
233.18938	3.3
237.16443	3.9
239.18016	5.5
241.15808	4.7
243.17361	5.3
245.15570	2.7
245.19141	5.8
247.16862	2.8
253.19621	5.1
255.21228	4.3
257.19366	4.8
259.20721	3.3
261.18423	3.6
263.16519	5.0
267.17413	3.5
283.20529	3.6
285.18423	14.1
285.21292	2.5
303.19577	13.4
311.23758	3.4
321.20602	7.1
365.28326	2.8
389.19534	7.1
389.32327	4.9
395.32996	4.8
407.20801	16.7
407.33179	23.7
425.21722	8.4
425.34387	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01868	9.8
55.05518	25.1
57.03438	4.6
57.07085	6.2
61.02924	5.4
65.03951	5.8
67.05212	3.9
67.05508	39.0
68.99784	6.0
69.03429	28.7
69.07076	32.8
69.52277	20.5
70.08842	2.7
71.04976	7.0
79.05494	27.9
81.03397	17.8
81.07066	59.4
81.51149	3.3
83.04975	9.5
83.08614	8.3
84.08161	23.2
85.02910	26.1
85.06541	6.7
86.10713	2.8
87.00859	16.0
91.05487	32.6
93.07054	48.8
95.04973	12.6
95.08617	100.0
97.02879	12.5
97.06559	7.1
97.10178	5.8
99.04431	6.5
99.08100	11.8
103.03971	3.2
105.01848	5.9
105.07042	55.6
107.04943	8.2
107.08606	57.8
109.02856	9.9
109.06514	11.9
109.09476	3.9
109.10168	53.1
111.04379	5.8
111.08057	6.8
111.11703	7.1
115.03933	6.7
115.05377	3.1
117.03471	3.2
117.07039	14.0
119.07777	5.4
119.08585	66.0
119.15793	2.7
121.06490	12.5
121.10161	43.8
123.04423	5.3
123.08075	7.9
123.11691	17.2
127.03909	12.8
127.81393	3.1
128.06274	4.7
129.01866	3.1
129.06993	8.9
131.08595	35.1
133.10143	35.7
135.08034	9.7
135.11705	27.0
137.09616	11.0
141.07112	4.4
142.07709	6.9
143.08588	21.0
145.02818	5.8
145.10132	37.1
147.02870	3.5
147.08049	11.0
147.11716	25.3
148.12039	3.8
149.09660	10.8
149.13226	11.2
151.07532	8.8
151.11157	5.2
155.08519	4.9
157.10144	24.2
158.10977	2.8
159.02936	5.6
159.08047	5.8
159.11725	34.7
161.09631	9.6
161.13293	29.2
161.65192	2.8
163.07529	7.0
163.11153	3.0
163.14819	11.9
165.09122	37.3
168.09303	4.2
169.10158	9.9
171.11699	10.4
173.09602	7.6
173.13319	26.6
174.10402	3.6
175.11180	8.6
175.14851	35.1
177.05469	10.5
177.09077	5.9
177.12726	3.6
177.16429	21.0
179.08429	3.5
181.10147	4.4
183.11688	9.7
184.10410	3.2
184.12297	3.2
185.13263	10.6
187.11229	6.0
187.14883	19.8
188.15311	3.4
189.12791	23.0
189.16370	17.7
191.14276	3.9
191.17938	3.5
197.13287	6.1
199.14836	12.2
201.03931	3.7
201.12770	5.1
201.16360	21.0
203.14352	9.5
203.18054	7.0
205.15901	10.9
207.17334	3.5
209.13284	7.6
211.11156	3.4
211.14803	6.7
213.16385	11.0
215.14345	5.0
215.17914	5.7
217.12285	3.1
217.15886	8.9
219.17377	6.3
223.14880	5.0
223.16937	3.6
225.16394	5.8
227.14349	7.6
229.15936	6.6
231.17474	8.3
235.16847	7.2
239.18008	5.0
241.15912	6.6
243.13676	4.3
243.17432	9.8
259.16916	4.8
263.16608	3.6
267.17422	10.7
285.18524	20.0
303.19589	20.6
321.20728	5.9
363.17441	3.7
389.19467	9.8
407.20737	22.4
407.32791	12.4
425.21982	20.9
425.29498	5.8
425.33917	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	425.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.1
55.01869	15.9
55.05280	5.3
55.05500	29.8
56.06839	5.0
57.03436	12.3
61.02923	13.9
67.05511	29.6
68.99807	14.4
69.03437	54.4
69.07072	27.9
73.02911	7.2
79.05477	26.7
81.03421	34.1
81.07067	61.6
83.04976	6.8
83.08618	12.6
85.02911	54.5
85.06551	8.5
85.47884	6.2
87.00832	35.0
88.53574	5.3
91.05499	26.8
93.07051	66.0
95.04974	20.7
95.08615	99.2
97.02935	26.5
97.03448	5.4
97.06564	7.2
98.04833	5.4
99.04453	11.4
99.08092	23.0
103.05447	6.3
105.07053	55.5
107.08607	94.3
109.02882	22.7
109.06534	9.7
109.10164	29.4
111.04455	9.4
115.03921	15.0
115.05493	5.4
117.01805	5.3
117.07050	15.2
119.08572	71.0
119.15947	6.0
121.06485	16.1
121.10148	100.0
123.08057	10.2
123.11705	61.1
125.09637	6.4
127.03931	30.6
128.06233	8.2
129.01843	6.5
129.07045	7.2
131.04947	22.8
131.08589	23.5
133.10149	82.9
135.08063	16.8
135.11726	41.7
137.05998	6.7
137.09637	6.1
143.08560	17.1
145.04967	7.7
145.06534	6.3
145.10165	29.0
147.02843	9.4
147.08081	10.0
147.11684	28.8
149.09622	12.4
149.13255	16.4
157.10120	21.2
159.02840	12.1
159.08038	11.3
159.11726	26.4
161.09644	6.3
161.13263	13.8
163.11148	15.2
163.14801	16.3
165.09161	6.9
169.10031	8.6
171.11685	15.8
173.09689	8.6
173.13271	17.8
175.11299	7.1
175.14848	71.8
177.16379	67.3
179.08493	8.9
183.11804	10.2
185.09654	8.9
185.13231	9.5
187.14787	29.6
189.12808	6.6
189.16396	17.2
197.13339	8.1
199.14859	9.0
201.16481	8.2
203.14304	7.7
205.15796	7.7
209.13197	7.7
211.11122	9.7
213.16524	8.6
217.15921	22.2
219.17418	10.5
227.14400	11.0
229.12167	7.7
231.17401	10.7
243.17543	10.7
267.17471	22.2
285.18564	34.6
303.19553	26.7
321.20581	7.5
389.19662	22.2
407.20798	29.2
425.21780	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42810	4.0
53.03941	7.7
53.99839	4.6
54.84562	4.6
55.01867	11.6
55.05499	14.8
56.65936	4.6
57.07084	6.4
65.03948	4.8
67.05502	23.9
69.03425	34.2
69.07056	21.5
70.95857	7.6
71.59154	9.6
72.93778	14.9
73.02912	6.3
79.05489	22.0
81.03423	26.5
81.07063	44.0
82.76344	4.3
83.04943	5.1
83.08620	7.8
83.55016	4.6
85.02912	28.8
87.00822	12.6
90.94849	7.6
91.05487	29.0
93.07054	45.0
95.04954	14.2
95.08617	78.7
97.02877	14.5
97.10181	12.7
99.04434	5.9
99.08083	6.1
103.05471	8.6
105.01853	7.7
105.07047	43.1
107.04954	5.6
107.08594	79.1
109.02869	17.3
109.06511	12.5
109.10183	27.1
111.04440	8.5
115.03918	9.5
117.03394	5.4
117.07013	10.0
119.08582	50.3
121.06543	7.1
121.09311	7.6
121.10155	100.0
123.08035	6.0
123.11716	31.4
127.03936	30.7
131.04965	27.7
131.08559	18.1
132.95790	7.8
133.10141	51.5
135.08061	14.4
135.11682	46.9
137.09674	28.1
143.08540	10.2
144.95847	8.9
145.02827	6.6
145.10144	14.6
147.08099	7.3
147.11725	23.2
149.09634	6.8
149.13260	13.8
157.10161	13.0
158.97415	17.4
159.11676	17.7
161.13248	16.0
162.96884	5.8
163.14851	8.0
169.10109	4.8
171.11644	10.1
173.13268	10.7
175.14830	36.4
177.05531	14.5
177.16385	64.7
187.14836	12.3
189.16434	11.8
191.14178	5.6
193.02985	4.8
199.14833	10.9
201.16451	7.4
209.13304	5.8
211.14906	6.7
216.97989	14.9
217.15823	10.4
227.14244	7.2
231.05002	5.2
234.99001	51.4
254.16835	4.8
267.17438	9.3
281.08328	19.4
285.18460	20.3
303.19598	13.6
305.08350	15.9
311.11508	5.2
317.08640	5.4
321.20819	6.7
323.09344	8.2
335.09363	8.8
389.19318	7.5
407.11530	48.3
407.20541	19.9
425.12549	82.7
425.21222	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	425.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49361	0.8
55.14135	0.8
69.81691	4.3
71.20046	0.7
72.29886	0.7
77.74368	0.8
82.99824	1.7
84.08336	0.7
97.02866	1.1
98.21537	0.7
101.00883	15.7
107.35792	0.9
112.89625	5.3
113.00875	2.4
114.89358	1.4
119.01927	22.8
127.02402	2.6
129.00293	0.8
129.03905	0.8
131.01936	9.7
137.02943	2.2
139.02417	2.0
142.12000	0.9
143.01907	31.8
145.03458	10.3
147.01422	1.4
155.01903	15.7
157.03474	8.9
160.56459	0.8
161.02972	45.5
162.02992	1.1
163.04581	0.9
167.01917	10.3
169.03448	2.6
171.05035	2.8
173.01422	1.2
173.02974	19.8
175.04489	2.3
179.01947	2.7
184.04572	1.8
185.02980	34.3
187.04518	3.9
191.04044	5.7
197.02988	11.6
203.04031	17.1
209.02994	1.4
215.04050	7.0
221.05104	7.5
227.03952	6.9
231.62971	0.8
233.05083	1.4
239.04021	0.9
239.06149	5.5
245.05090	100.0
246.05264	2.7
257.05182	4.9
260.48529	0.8
263.06158	40.2
264.06131	0.9
275.06140	28.4
276.06351	1.2
276.92789	1.4
293.07233	4.2
305.07193	10.7
335.08286	2.7
344.86951	0.9
351.87057	0.8
365.09470	5.4
383.10422	1.5
425.06207	1.4
425.11487	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	424.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.0
55.43993	1.0
57.07062	1.7
58.06585	0.9
67.05499	8.2
69.06732	1.3
69.07074	14.9
70.06577	3.0
71.58353	1.0
71.58787	1.3
72.08169	1.5
72.94865	0.9
75.06931	1.0
79.05505	8.1
81.07066	11.7
82.06564	2.2
83.04971	1.1
83.08636	7.1
84.08128	3.3
86.06072	13.3
86.09708	2.2
91.05461	3.6
93.07052	11.2
95.04958	1.7
95.08620	10.4
96.08131	9.4
97.06522	2.4
97.10183	2.2
98.06051	3.6
98.09688	2.7
99.04442	3.1
105.07020	5.4
107.04918	1.0
107.08605	11.2
108.08111	2.2
108.08826	1.1
109.06516	1.7
109.10148	5.3
109.52159	1.0
110.09691	7.0
110.10348	1.4
112.07599	0.9
116.10738	6.3
117.07018	1.2
119.08591	4.8
120.08895	2.6
121.10174	6.6
122.09631	1.8
123.11708	1.6
124.07574	3.4
124.11276	5.9
124.12000	1.5
126.09151	1.4
131.08563	3.8
132.08913	1.9
133.10110	3.8
135.11659	2.2
138.09187	1.4
140.10619	1.0
142.08646	12.8
143.08437	1.3
145.10092	3.1
147.11685	2.5
149.13263	6.5
151.11168	2.5
152.10611	1.3
154.12257	2.1
159.11711	3.1
161.13191	1.5
162.13684	1.4
163.03871	2.2
165.09116	1.4
166.08640	1.4
166.15935	22.1
169.12247	5.2
171.11656	1.0
173.13196	1.6
174.13663	1.9
175.11261	1.2
175.14833	1.4
176.14285	1.3
177.16464	1.4
185.13326	1.1
186.13509	1.1
187.14772	2.4
188.15182	2.2
189.16414	1.7
190.16736	1.1
191.14326	1.1
192.14622	1.6
194.15379	3.4
201.16377	2.2
202.16612	1.6
205.15852	1.8
207.06474	2.3
210.18523	3.5
211.01009	1.4
212.16478	72.5
213.16571	1.1
238.18022	51.9
238.53087	1.3
239.18214	1.2
244.22670	1.3
256.19089	100.0
257.17151	5.2
257.19730	2.1
310.23682	1.2
345.24203	1.7
363.25137	4.0
364.24994	2.2
406.29453	6.9
424.30548	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01855	0.3
56.24012	0.3
57.03410	0.6
63.62057	0.3
67.05469	0.9
69.03434	2.4
69.29302	3.0
73.02917	0.4
79.05477	0.7
81.03382	1.0
81.07014	0.4
85.02917	3.6
87.04441	0.6
91.05468	0.5
95.04952	0.6
97.02914	1.5
98.21479	0.7
99.04457	0.6
105.08100	0.3
106.06532	0.6
107.07319	0.6
109.02868	1.0
115.05436	0.6
117.06976	0.4
120.08099	0.3
122.06016	0.9
123.04401	0.8
127.03880	0.9
128.06248	0.5
129.07028	0.5
134.06017	0.6
135.04330	0.4
135.06758	0.4
136.07535	0.9
141.09090	0.5
143.08508	0.8
145.04939	0.5
145.06496	0.3
147.04405	0.5
153.06993	2.1
155.07358	0.6
155.08557	2.9
157.06453	0.5
157.15662	0.3
158.05994	0.5
161.05968	0.9
162.05508	0.6
168.05739	0.4
168.08047	0.3
170.09697	2.6
171.08020	1.1
173.05939	0.8
174.09254	0.4
176.07071	2.2
177.07884	0.6
178.05017	0.7
180.08104	0.9
181.06450	1.6
183.06787	1.3
183.08096	0.9
184.05202	0.4
187.07584	0.5
188.07080	0.4
188.10692	1.1
197.08334	0.4
198.09152	5.1
199.07584	2.0
200.07097	0.7
201.07841	1.4
202.08519	0.3
208.07533	0.4
209.06084	0.4
211.06294	0.7
212.07033	0.4
214.05014	1.0
214.08751	0.4
216.10229	4.2
226.08650	3.7
227.07031	0.5
228.06595	0.7
229.07359	2.0
242.08060	0.5
243.08783	0.8
244.09706	100.0
245.10143	2.3
262.10760	80.7
263.11032	1.2
286.10880	0.9
304.11932	0.6
406.14938	0.6
414.63889	0.3
424.16052	34.9
425.16144	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	423.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	27.6
56.23848	4.7
57.07072	13.4
67.05515	30.8
69.00446	5.4
69.07072	43.5
69.90920	19.3
79.05489	13.1
81.07063	84.5
83.08611	23.1
91.05482	12.6
93.07053	43.1
95.08613	100.0
97.10189	11.1
105.07038	26.4
107.08612	59.9
109.10165	72.6
119.08572	36.7
121.10138	50.7
123.08034	6.0
123.11704	42.7
131.08578	10.5
133.10144	30.8
135.11708	35.3
137.13234	34.1
145.10112	15.7
147.11716	26.4
148.12497	5.5
149.13263	37.6
151.14815	7.6
154.86130	4.9
157.10175	6.6
157.96526	5.4
159.11690	13.8
161.13263	23.5
163.14827	21.1
173.13231	9.8
175.14859	10.3
177.16400	15.2
187.14882	6.8
189.16403	18.2
191.18048	26.6
201.16374	7.4
203.18031	16.7
205.19652	10.7
215.17960	9.4
217.19563	11.7
231.21158	9.9
243.21065	7.0
257.22565	10.5
271.24200	7.9
299.27237	12.7
423.24915	6.4
423.31171	11.9
423.40100	65.8
442.60712	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	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01859	1.5
55.05520	13.4
57.03424	4.0
57.07077	7.6
65.84753	1.1
66.86771	1.2
67.05171	1.8
67.05509	30.7
69.03408	1.4
69.06785	1.6
69.07079	19.4
69.63447	6.2
69.63872	2.5
71.04990	2.4
71.08629	4.5
71.14130	1.2
79.05117	1.7
79.05502	17.5
81.03419	1.8
81.07063	45.7
83.04977	2.3
83.08620	7.9
85.06557	2.2
91.05495	15.5
93.07057	35.8
95.04981	2.1
95.08614	66.1
96.54136	1.2
97.02885	2.9
97.06496	2.8
97.10168	5.1
99.04448	1.4
99.08088	3.0
105.07040	25.2
107.08607	40.4
109.06529	20.0
109.09457	2.2
109.10165	33.8
111.08083	4.8
111.11713	2.1
113.09647	1.3
117.07020	6.1
119.07780	2.5
119.08585	31.4
121.10158	26.6
123.08083	39.7
123.11713	10.8
127.18799	1.2
129.06993	1.7
130.07729	1.5
131.08582	10.2
133.10144	23.6
135.08041	9.3
135.11725	18.3
137.09607	3.7
137.13248	4.3
143.08548	5.1
145.10124	16.7
147.07971	1.5
147.11696	20.1
149.09656	2.6
149.13286	13.2
151.14806	1.8
157.10136	6.0
159.11691	16.4
161.09624	2.5
161.13298	13.9
163.14851	8.8
165.12689	2.7
167.14281	2.3
169.10162	1.9
171.11678	5.0
173.11836	2.7
173.13269	9.5
175.14850	10.7
177.12791	2.7
177.16438	5.9
179.14331	83.5
180.14604	2.3
183.11624	1.8
185.13293	4.3
187.14861	10.5
189.16396	10.7
191.14355	3.3
191.17992	11.0
193.16016	3.3
197.13249	1.7
199.14838	4.7
201.16400	13.5
203.18010	12.4
205.15880	4.3
205.19563	1.6
207.17546	4.4
213.16403	2.6
215.17967	13.3
217.16032	1.6
217.19508	4.7
219.17328	1.5
225.16347	1.3
227.17937	2.9
229.19533	3.6
233.19002	3.1
239.17845	1.6
241.19458	2.0
243.21042	5.0
247.20580	2.1
255.21198	1.6
257.22690	1.6
263.20261	1.8
267.21198	2.4
269.22659	5.0
275.20105	2.3
283.24118	3.0
285.22128	1.4
293.20969	2.6
303.26733	3.1
331.26318	38.6
349.27328	9.6
405.30338	2.9
405.35159	10.7
423.31003	100.0
423.36279	38.2
424.31189	4.6
424.36627	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	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27423	1.1
53.03957	1.6
55.05513	8.5
57.07074	1.8
60.06888	1.0
65.03951	1.7
67.05508	7.3
69.07078	9.9
69.80297	1.1
70.93655	2.3
79.05501	10.2
81.07059	19.8
83.08614	4.8
86.23844	1.1
91.05477	11.5
93.07047	20.3
95.04971	2.0
95.08044	1.9
95.08611	27.4
97.06529	2.6
97.10179	1.9
99.08070	1.7
100.11291	3.6
105.07037	28.0
107.08602	26.3
109.06490	2.0
109.10160	13.9
111.08073	1.8
115.05431	1.7
117.07018	4.9
119.08584	38.6
119.94816	1.3
121.06477	2.2
121.10143	15.4
123.08098	2.7
123.11697	6.2
125.09643	2.7
129.06970	2.8
130.07748	1.4
131.08582	26.6
133.10144	19.3
135.08054	2.9
135.11690	8.1
141.07037	1.6
142.07777	3.7
142.54892	1.1
143.08560	8.5
144.09363	2.6
145.10126	35.5
147.08089	1.2
147.11687	15.3
149.09644	2.7
149.13239	8.5
155.08582	3.0
156.09271	2.3
157.10117	13.2
158.10870	2.3
159.11694	29.4
161.09634	2.4
161.13295	10.6
163.11209	2.2
163.14830	4.4
167.10698	1.1
169.10121	6.8
170.10950	3.5
171.11665	9.2
173.13275	34.0
175.11206	2.0
175.14822	11.4
177.12787	2.5
177.16388	2.3
181.10094	1.4
182.15431	1.3
183.11734	7.6
185.13266	10.0
187.14833	29.5
189.12749	1.8
189.16345	7.0
191.14320	25.9
193.15866	1.7
195.11687	4.4
197.13280	5.4
199.14827	7.9
201.12929	1.3
201.16393	29.6
203.14363	6.4
203.17952	2.2
205.15906	2.6
209.13275	2.5
211.14832	4.5
212.15503	1.2
213.16476	5.8
215.14424	2.0
215.17957	4.2
217.15981	2.4
217.19598	1.4
221.13338	2.0
221.15332	13.8
223.14798	2.7
225.16435	3.3
227.17853	3.8
229.19518	2.4
237.16380	2.3
239.17874	1.8
241.19553	1.7
243.17212	1.2
245.19092	1.7
247.16884	1.7
248.16005	1.3
249.16299	1.5
253.19502	3.5
255.21051	3.8
265.19641	1.9
267.21036	8.4
269.22632	2.0
285.18542	1.4
304.61154	1.2
321.25958	1.3
323.23956	1.3
339.23343	2.1
351.26749	1.7
353.24765	2.7
359.79749	1.5
360.29453	1.5
367.26486	1.5
381.27939	2.8
387.30542	2.6
393.85721	1.3
395.29309	1.6
405.31549	11.6
423.32565	100.0
424.32941	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	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05516	8.5
57.07084	2.5
67.05514	12.2
69.03435	2.4
69.07077	13.2
69.90942	6.1
77.03941	2.1
79.05507	13.1
81.03424	1.5
81.06641	2.6
81.07066	28.3
83.04995	3.0
83.08641	6.4
85.02900	1.4
85.06580	1.2
91.05479	18.0
91.86293	1.3
93.07052	29.5
95.04994	6.1
95.08619	41.2
95.09242	2.0
97.02878	1.5
97.06544	3.7
97.10201	1.4
99.08110	1.9
105.07042	56.4
107.08609	44.4
109.06540	3.4
109.10169	19.1
111.08092	2.3
115.04164	1.2
115.05457	1.8
117.07007	9.5
119.08595	63.7
121.06541	3.6
121.10161	25.6
123.08094	5.3
123.11732	5.0
125.09682	2.1
128.06248	1.9
129.07031	5.4
130.07848	3.6
131.07574	2.9
131.08575	57.2
133.10147	31.2
135.08110	6.4
135.11713	10.8
137.09641	3.6
137.13193	1.3
138.70592	1.3
142.07747	3.6
143.08582	13.7
144.09383	3.6
145.10141	68.0
147.08067	3.4
147.11705	22.4
149.09645	3.7
149.13277	20.8
153.09085	1.8
155.08578	1.5
156.09398	3.7
157.10127	16.8
158.10921	6.1
159.11710	43.4
161.09651	5.8
161.13281	17.6
163.11208	4.1
163.14851	19.2
165.09193	2.0
167.10696	2.1
169.10191	5.4
170.10918	2.6
171.11719	12.9
172.12505	3.2
173.09706	1.7
173.13283	59.9
175.11166	4.1
175.14857	26.3
177.12831	3.1
177.16438	13.4
183.11755	6.9
185.13300	16.4
187.14847	100.0
188.15170	1.4
189.12802	4.4
189.16400	18.2
191.14314	46.3
193.12350	1.3
193.15993	4.4
195.11911	1.3
197.13336	3.6
199.14847	12.4
201.16414	79.8
202.16705	2.4
203.14339	14.5
203.17981	14.9
205.15868	6.5
207.13695	1.9
209.13246	2.5
211.14891	3.9
213.16383	10.6
215.18045	5.5
217.15956	3.7
217.19576	4.5
219.17462	2.2
221.15424	18.7
223.14903	2.1
225.16394	3.4
227.18033	5.2
229.16037	2.5
229.19592	3.4
231.17513	4.1
233.15431	2.3
239.18002	2.3
243.21233	1.6
247.17039	3.4
249.18648	2.2
251.18053	2.5
253.19603	1.7
255.21056	1.8
265.19678	2.1
267.21143	1.6
269.22748	1.3
321.26181	1.7
351.26682	1.7
365.28857	2.6
386.87231	1.6
387.30582	3.2
393.31421	2.4
405.31567	14.6
423.32648	72.3
424.32730	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	423.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57630	1.9
50.69699	2.0
53.03945	4.0
55.05511	11.3
57.07069	3.9
67.05508	22.8
69.03423	6.8
69.07074	17.2
71.05015	3.1
71.59214	3.3
79.05487	22.0
79.21672	2.0
81.03422	7.6
81.07059	37.6
83.04996	5.1
83.08614	9.8
85.02898	6.4
85.06538	3.3
91.05477	25.2
93.07048	38.0
95.04975	6.3
95.08609	58.7
97.02892	21.8
97.06510	5.8
97.10168	3.7
97.34523	2.0
99.08115	13.7
103.05525	2.2
105.07034	54.6
107.08595	61.2
107.09293	4.0
109.02879	8.7
109.06544	5.9
109.10174	49.7
109.10908	3.5
111.08137	2.5
117.07017	10.2
119.08588	77.3
121.06494	4.4
121.10153	48.9
123.08056	7.4
123.11717	12.2
125.09689	2.4
127.03933	12.0
128.06235	3.0
129.07056	6.1
131.08577	42.6
133.10132	49.4
133.11075	3.9
135.08072	7.7
135.11688	38.6
137.09636	8.8
137.13246	2.8
141.06992	3.9
142.07777	7.0
143.08601	21.5
145.10130	58.6
145.11272	3.1
147.08035	4.0
147.11696	27.2
149.09653	7.7
149.13255	14.4
151.11194	3.3
153.12756	2.5
155.08585	5.3
156.09351	5.9
157.10143	27.1
157.88245	2.1
158.10956	3.8
159.11710	44.0
161.09657	6.2
161.13235	21.8
163.11203	17.3
163.14842	14.4
165.09126	19.9
169.10161	7.4
170.10938	5.9
171.11691	18.5
171.79668	2.2
172.12532	3.4
173.09744	1.9
173.13286	39.7
175.11276	5.9
175.14848	34.0
177.12799	7.6
177.16376	27.6
181.10194	2.5
182.10947	2.6
183.11772	11.1
185.13263	35.4
187.14822	48.9
189.12749	4.2
189.16379	21.6
191.14302	10.0
193.15878	10.1
195.11768	5.1
197.13295	5.9
199.14824	30.4
201.12772	3.4
201.16422	29.0
203.14322	23.4
203.17984	3.7
205.12334	2.3
205.15891	63.9
207.17540	2.8
209.13245	2.7
211.14856	9.9
211.16995	5.5
213.03967	3.8
213.16437	8.2
215.14380	6.0
215.17982	5.2
217.15906	25.4
217.59119	2.4
219.17470	7.0
221.15424	3.9
225.16418	5.9
227.17932	2.6
229.15955	8.6
231.17509	3.8
237.16338	3.2
239.18054	3.4
243.17450	3.9
249.16425	2.8
251.17900	4.0
253.19449	3.3
263.18057	2.4
267.21021	3.6
269.18961	2.6
276.69189	2.6
283.20642	4.8
291.23282	2.9
333.24973	2.2
351.27011	5.1
365.28415	5.7
387.30481	5.6
393.31616	8.0
395.33276	2.7
405.31491	25.7
423.32620	100.0
424.32297	2.2
425.39038	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	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13229	1.4
53.03946	2.3
55.01872	1.7
55.05515	12.0
57.03440	1.9
57.07068	3.3
65.03937	3.0
67.05510	19.6
69.03429	7.9
69.07076	14.3
71.04983	2.0
71.59216	1.8
77.03939	1.9
79.05493	20.2
81.03413	4.0
81.07058	47.4
82.07388	2.3
83.04979	4.6
83.08626	7.5
83.86001	1.4
84.08165	5.0
85.02895	3.0
85.06534	3.0
91.05064	0.8
91.05484	37.1
93.07050	48.6
95.04988	11.8
95.08611	64.2
97.02879	4.0
97.06531	5.3
97.10162	1.8
99.08105	18.4
103.26135	1.5
105.07034	75.9
107.07862	3.1
107.08601	64.4
109.02817	2.0
109.06561	8.5
109.10152	28.7
111.08098	5.2
112.18406	1.6
115.05452	3.6
116.06232	1.8
117.07011	13.2
119.08584	98.0
120.08932	2.2
121.06511	5.0
121.10145	38.5
123.08104	7.1
123.11710	15.1
125.09634	5.9
127.03983	2.2
128.06262	2.6
129.06992	8.1
130.07834	4.3
131.07576	3.7
131.08574	68.5
133.10135	42.9
134.10403	1.8
135.08072	6.9
135.11700	17.4
137.09647	8.5
141.07004	2.2
142.07799	6.8
143.08562	26.4
144.09346	5.2
145.10139	59.5
147.08060	5.8
147.11690	53.4
149.09644	5.0
149.13287	19.1
151.11221	4.5
155.08565	7.1
156.09363	5.5
157.10149	31.2
158.10921	3.7
159.08075	4.7
159.11699	48.5
161.09663	6.2
161.13252	21.8
161.43948	1.5
163.11221	5.0
163.14827	14.3
165.09120	6.7
165.12819	2.1
167.08591	2.8
169.10117	8.3
170.10901	4.2
171.11710	21.0
172.12434	3.5
173.09679	5.2
173.13271	62.8
174.13628	2.0
175.11220	4.7
175.14832	38.7
177.12746	3.5
177.16371	9.0
181.10155	4.9
183.11708	12.8
185.13280	31.9
187.11182	2.0
187.14827	64.2
188.15154	2.3
189.12788	4.9
189.16412	17.9
191.14363	9.0
193.10156	2.7
193.15843	4.5
195.11693	6.0
197.13293	11.1
199.11160	1.8
199.14848	20.5
201.12762	7.4
201.16386	64.9
202.16740	3.0
203.14342	21.3
203.17999	7.4
205.15839	8.7
207.11742	2.3
209.13264	4.4
211.14796	11.9
213.16354	12.8
215.14349	8.3
215.17949	8.0
217.15889	8.4
217.19519	1.6
219.17442	2.2
221.13365	3.3
221.15375	20.7
223.14845	3.9
225.16422	10.2
227.17999	6.8
229.15958	6.5
229.19543	3.1
231.17487	5.0
235.14725	2.4
237.16406	2.4
239.14182	1.7
239.18002	5.7
241.15909	2.1
241.19548	4.0
243.17485	7.5
247.17070	2.2
251.17926	3.9
253.19540	2.8
257.19067	4.5
259.17068	2.2
263.18085	2.0
265.19547	3.8
277.19455	3.3
279.21088	1.9
281.22610	2.0
283.17084	2.4
283.20593	4.6
293.22684	2.9
301.17990	2.1
305.22675	2.6
311.23651	2.4
317.22659	2.4
333.25900	3.7
335.23804	4.1
349.25375	2.2
351.26700	11.2
365.28375	10.8
367.13998	1.9
375.30222	2.0
387.30484	6.4
395.33310	2.5
405.19278	1.9
405.31570	33.4
405.36890	2.6
423.20633	3.8
423.32608	100.0
424.32852	2.6
441.31259	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	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05514	4.1
63.44443	1.0
63.44838	1.1
63.51889	1.1
67.05509	7.5
67.69691	1.2
69.07078	7.4
70.93693	3.4
79.05498	5.1
80.01307	1.2
80.34441	1.1
81.07069	8.6
83.08627	3.3
91.05483	6.3
93.07061	9.9
95.08617	17.5
105.07044	12.4
106.76077	1.1
107.08608	15.7
109.06548	1.4
109.10155	10.8
111.08092	1.3
117.07050	2.6
119.08598	14.5
121.06519	2.5
121.10144	10.9
123.08092	2.0
123.11752	4.1
129.07025	2.4
131.08572	8.1
133.06520	2.6
133.10136	12.1
135.07022	1.0
135.08055	27.9
135.11699	7.4
137.09659	2.4
143.08594	6.5
145.10158	12.9
147.08070	4.7
147.11728	10.3
149.02342	2.0
149.09659	3.7
149.13301	4.4
151.11218	1.7
155.08554	2.3
157.10139	6.6
158.62018	1.2
159.08078	1.3
159.11682	8.8
161.09651	5.1
161.13318	4.2
163.14886	2.6
167.08621	1.2
169.10167	3.2
171.11748	4.1
173.09714	1.7
173.11949	1.3
173.13263	6.3
175.11263	4.2
175.14806	5.6
177.12869	1.6
177.16389	3.8
183.11711	4.7
185.09662	1.4
185.13300	5.1
187.11227	1.5
187.14870	13.5
189.12776	2.0
189.16411	4.3
191.14304	2.0
191.17905	1.7
193.05061	1.6
195.11690	2.1
196.12535	1.5
197.13286	2.1
199.14905	4.4
201.16360	8.5
203.14366	11.8
203.18092	1.7
205.15941	4.5
209.13411	1.6
211.14922	2.1
213.16428	3.5
215.14394	1.4
215.18051	1.4
217.15898	9.8
219.13966	1.5
225.16452	3.4
227.17920	2.5
229.15898	1.8
229.19478	1.2
231.17421	1.9
241.19565	2.2
243.17351	1.6
253.19647	3.6
255.17618	1.8
255.21202	1.7
257.19040	1.8
335.23630	1.8
380.27304	1.3
387.30939	1.5
393.31403	1.3
396.52582	1.2
399.85782	1.2
405.31696	9.9
423.32669	100.0
424.33057	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	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.05510	14.0
57.07084	2.9
65.47991	2.6
67.05504	22.6
69.07070	18.1
69.53386	17.9
79.05495	19.9
81.07063	37.0
83.08645	5.3
83.66428	2.5
88.69952	2.1
91.05479	26.9
93.07050	42.6
95.04982	6.2
95.08615	58.8
97.06541	5.1
105.07040	91.0
107.08598	57.7
107.09280	4.1
109.06548	5.9
109.10174	27.0
111.08115	3.1
117.07015	15.8
119.08592	93.5
121.06515	5.1
121.10146	37.4
123.08097	8.2
123.11752	7.5
128.06216	5.2
129.07060	8.1
130.07872	3.3
131.08583	73.3
133.10147	51.5
133.11076	3.9
135.08089	9.5
135.11714	18.0
137.09633	5.7
142.07835	7.4
143.08589	20.4
144.09380	7.1
145.10139	94.6
146.10855	2.8
147.08118	3.7
147.11688	30.5
149.02409	5.5
149.09673	3.3
149.13261	28.0
155.08597	3.4
156.09428	7.1
157.10144	26.4
158.10970	8.5
159.11707	62.6
161.09721	6.9
161.13260	29.1
163.11229	6.7
163.14862	20.2
169.10201	5.9
170.10962	4.6
171.11700	17.0
172.12497	3.9
173.13269	87.4
175.11223	2.9
175.14830	33.2
176.12053	2.7
176.15201	2.7
177.12804	6.6
177.16406	18.2
183.11746	8.2
185.13293	16.9
187.14830	92.7
189.12813	7.1
189.16385	18.6
191.14320	94.8
193.05046	4.1
193.12285	3.3
193.15932	3.7
194.05412	3.7
197.13371	3.0
199.14847	26.9
201.16393	100.0
202.16841	3.2
203.14308	26.1
203.17946	18.0
205.15909	16.6
207.13918	2.9
211.14874	3.8
213.16447	7.8
215.18169	4.2
217.15881	10.9
217.19600	4.5
219.17474	4.1
221.15364	29.3
223.17090	3.2
227.18039	4.1
229.19548	4.4
231.17531	6.1
232.61993	2.2
237.16548	3.7
239.18108	3.7
247.17047	3.8
253.19371	2.8
257.26865	3.6
261.22986	2.6
269.22714	2.4
324.14523	2.6
365.28549	3.4
387.30228	2.8
405.31454	14.4
416.31613	2.3
423.32794	82.5
424.32837	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	423.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98127	2.4
54.65913	2.6
55.05519	14.3
55.27123	3.0
57.07052	3.8
61.82377	2.6
64.54585	2.7
67.05518	25.2
69.07078	16.9
69.60352	13.5
69.60769	4.8
71.04986	3.4
71.08621	3.0
79.05514	14.3
81.07062	42.3
81.95389	2.9
83.08614	6.1
89.04463	3.3
91.05489	18.4
93.07059	40.5
95.04963	4.8
95.08057	5.2
95.08614	70.1
97.06480	3.9
97.10166	6.4
105.06496	3.4
105.07046	37.5
107.08604	68.2
109.10175	47.3
110.10540	3.3
111.08074	3.2
117.06995	9.5
119.08592	52.9
121.06506	6.2
121.10139	42.8
123.08042	2.8
123.11713	18.2
125.09630	3.8
129.07080	3.1
131.08577	17.3
133.06549	4.4
133.10139	43.8
135.08037	17.0
135.11713	34.5
137.13249	9.4
142.07745	5.8
143.08528	8.1
145.10136	32.3
147.08046	31.0
147.11713	23.4
149.09599	9.6
149.13298	15.6
153.09135	4.7
155.08556	4.8
157.10164	11.2
159.08083	13.3
159.11734	25.6
161.09631	14.2
161.13263	25.4
163.11139	3.1
163.14804	15.9
169.10133	6.6
171.11700	8.2
173.09590	5.9
173.13213	16.9
175.08142	2.7
175.11195	7.9
175.14821	23.4
177.16411	23.9
182.56010	2.6
185.09666	4.9
185.13234	10.6
187.11212	3.2
187.14809	19.7
188.12044	4.4
189.12773	5.9
189.16420	32.9
191.17978	12.1
197.13373	3.8
198.10249	3.1
199.11198	3.2
199.14812	8.7
201.12791	7.8
201.16380	24.8
203.14346	51.2
203.17957	11.2
205.15889	13.9
207.17372	6.1
211.14857	5.7
213.16385	3.8
215.14420	4.5
215.17937	17.0
217.15904	73.1
217.19334	4.5
219.13850	6.6
227.14258	8.5
227.17931	5.6
229.15909	16.9
229.19502	6.1
233.15440	3.8
235.86517	3.0
239.17798	3.5
241.19522	5.8
243.17363	3.2
247.16782	5.8
248.01840	2.9
253.19620	3.3
255.17439	3.8
255.20964	6.1
261.18732	3.7
263.17868	3.2
267.21118	5.2
267.66998	3.6
271.24124	2.9
281.22604	3.0
283.20673	3.8
353.24722	5.9
377.32309	5.8
405.31335	13.4
423.32507	100.0
423.37848	6.1
424.32541	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	423.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
54.62367	1.1
55.05521	6.1
57.07074	2.4
67.05509	10.1
69.03435	1.7
69.07076	7.1
70.10833	5.7
71.04963	1.3
79.05482	5.5
81.07056	18.1
83.04980	2.9
83.08616	7.5
88.78491	1.2
91.05469	8.7
93.07049	15.8
95.04945	2.5
95.08617	27.1
97.06548	1.4
97.10194	2.1
98.21407	1.7
99.08064	1.4
105.07041	14.8
107.08603	25.7
109.06530	2.3
109.10161	24.0
111.08089	2.5
117.07011	3.8
119.08588	24.3
121.06491	2.5
121.10146	17.9
123.08074	2.9
123.11727	7.2
129.07054	2.6
131.08588	11.6
133.06514	2.0
133.10133	16.8
135.08064	20.2
135.11685	11.5
137.09619	4.1
137.13231	1.6
141.06981	1.5
142.07768	3.2
143.08577	9.9
145.10120	19.7
147.08051	5.6
147.11685	10.0
149.09651	2.7
149.13274	7.9
151.11206	3.4
155.08534	5.7
156.09380	2.5
157.10133	10.2
158.10812	1.8
159.08063	3.9
159.11702	11.8
161.09639	6.3
161.13268	8.7
163.11237	1.5
163.14821	4.3
165.09111	1.3
167.08615	1.5
168.09192	1.3
169.10175	7.1
170.10936	3.3
171.11717	11.1
173.09607	4.2
173.13260	9.2
175.11191	5.0
175.14864	9.3
177.12857	1.6
177.16331	6.4
179.14417	1.6
181.10126	3.1
183.11714	12.5
184.12170	1.1
185.09616	1.2
185.13275	9.6
187.11211	2.7
187.14842	17.7
189.12784	3.6
189.16437	5.5
191.14313	2.4
191.18015	1.6
195.11665	4.1
197.13255	7.9
199.14861	7.0
201.12798	4.1
201.16385	16.5
203.14320	17.7
203.17908	1.3
204.14702	1.6
205.15866	7.0
209.13170	3.3
210.13884	1.3
211.14836	4.5
213.16402	8.2
215.14337	2.0
215.17932	5.2
217.15897	16.3
217.19539	1.4
219.17323	1.3
221.13257	1.7
223.14853	1.8
225.16373	5.6
227.17911	7.8
229.15849	1.9
231.17386	3.0
237.16467	3.1
239.18051	3.6
241.19522	4.9
243.17435	2.4
243.21147	1.5
247.64879	1.4
251.18007	3.3
253.19518	16.4
255.17627	1.3
255.20984	5.7
257.19366	1.5
265.19879	1.7
267.21136	4.6
269.19122	2.7
271.20612	2.4
273.18558	3.0
283.20685	1.6
295.20670	1.6
335.23578	2.2
348.28217	1.2
353.24719	2.9
357.26151	1.3
363.26440	1.4
387.30429	3.8
405.31528	15.6
423.32568	100.0
424.32883	5.1
438.48813	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	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05510	12.4
56.65740	1.7
56.91915	1.9
57.03445	2.4
57.07077	4.6
59.05019	2.0
67.05510	30.7
69.07074	22.2
71.04999	2.3
71.46722	1.6
71.60620	2.1
79.05492	18.4
81.06574	2.6
81.07065	49.6
83.08627	9.6
85.06560	3.6
91.05492	19.6
93.07049	38.0
95.04979	3.7
95.08617	51.5
97.06553	3.7
97.10160	4.2
99.08135	2.2
105.07046	41.2
107.08599	49.4
109.06561	10.1
109.10175	35.7
111.08058	3.8
117.07008	7.5
119.08590	51.8
121.10159	31.8
123.08084	19.7
123.11710	10.3
124.13651	2.0
124.60229	2.1
125.09616	4.0
128.06253	3.0
129.07025	4.3
131.08575	24.4
133.10149	31.0
135.08080	8.0
135.11703	14.4
137.09644	4.1
137.13257	3.6
142.07794	4.0
143.08601	7.9
144.09355	2.8
145.10133	33.5
147.08089	2.0
147.11703	21.6
149.09602	4.3
149.13277	23.3
155.08563	3.1
157.10147	11.5
158.10901	3.1
159.11716	21.5
161.13303	15.0
163.07632	2.5
163.14822	24.0
166.54890	1.9
169.10170	6.8
171.11748	12.0
173.11911	2.4
173.13277	16.4
175.14865	18.0
177.16447	11.4
179.14326	32.9
183.11746	6.3
185.13312	8.8
187.11148	1.9
187.14836	38.3
189.16399	44.9
191.18011	4.6
195.11739	1.9
196.12395	2.3
197.13254	6.0
199.14868	7.6
201.12848	2.5
201.16414	22.9
203.14406	2.4
203.17963	12.5
205.15880	2.7
209.13216	2.8
211.14906	4.2
213.16414	7.5
215.17966	10.9
217.15898	2.6
217.19537	2.2
223.14607	2.0
225.16243	2.6
227.18015	11.0
229.15901	2.0
229.19571	7.2
239.17964	4.6
241.19585	5.6
247.16920	5.6
251.17909	2.1
253.19502	8.1
255.21194	2.7
259.17010	2.4
267.21143	3.4
269.22690	2.2
273.18579	6.8
275.20087	3.3
281.22717	6.2
285.18451	2.6
299.20087	7.5
331.26395	12.7
349.27390	4.4
377.31943	19.0
381.27780	2.8
405.30869	3.9
405.35818	2.4
423.14517	6.8
423.32214	100.0
424.32434	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.05511	11.3
57.03433	3.0
57.07068	4.4
67.05507	21.8
69.03405	1.4
69.06779	1.1
69.07077	13.1
69.39973	9.8
71.05000	2.8
71.08630	3.5
76.72248	1.0
79.05495	13.4
81.07059	31.5
83.04957	1.7
83.08630	7.4
85.06532	3.0
91.05476	10.6
93.07047	21.0
95.04978	2.4
95.08610	46.4
97.02888	2.2
97.06522	5.0
97.10159	2.8
99.04436	1.7
99.08061	1.7
105.07041	19.2
107.08592	27.5
109.02838	1.4
109.06525	14.0
109.10152	20.8
111.08093	2.3
117.07040	3.7
117.25764	1.2
119.08581	22.1
121.06498	1.7
121.10155	19.3
122.07312	1.6
123.08073	48.4
123.11708	9.7
127.03905	1.4
128.27943	1.1
129.07069	1.4
131.08522	6.9
133.10136	18.0
135.07091	1.9
135.08037	14.0
135.11703	11.6
137.09587	4.2
137.13251	4.1
143.08543	2.9
145.10112	13.7
147.11690	12.8
149.09618	3.3
149.13257	8.6
151.07573	1.2
151.11183	2.1
157.10100	4.1
159.11728	10.4
161.09627	1.4
161.12082	1.2
161.13228	5.8
163.11154	1.7
163.14816	4.8
165.12787	2.3
171.11719	3.9
173.13266	7.9
175.14822	8.2
177.12813	3.1
177.16412	3.6
179.14316	51.0
183.11584	1.3
185.13263	4.8
187.14815	5.9
189.16426	7.5
191.14241	2.3
191.17955	6.5
193.15762	1.4
197.13229	1.3
199.14784	3.4
201.16393	5.5
203.17915	7.0
205.15909	2.5
207.17599	2.0
213.16415	2.5
215.17967	8.7
217.19521	4.1
219.17401	2.0
221.15428	1.4
227.17928	1.9
229.19481	2.0
233.19046	2.4
241.19464	1.7
243.21136	2.8
247.20547	1.7
255.21236	1.6
261.22363	1.5
269.22607	2.4
271.24155	1.3
275.20013	4.0
283.23972	1.2
293.21176	3.9
303.26846	4.1
309.25781	1.7
331.26331	41.5
332.26584	1.6
349.27332	10.9
367.24844	2.8
374.85275	1.3
405.30286	2.2
405.35190	9.1
423.30954	100.0
423.36288	23.0
424.31299	3.8
424.36597	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39917	1.3
52.17579	1.6
54.06253	1.4
55.05517	7.8
57.03424	1.6
57.07073	5.8
67.05513	17.6
69.03437	1.9
69.07073	9.6
70.83826	1.3
71.04985	1.7
71.08631	3.5
71.19416	1.3
71.59541	3.0
79.05496	10.1
81.07059	20.8
83.08614	4.8
85.06544	3.6
91.05508	8.8
93.07044	15.2
95.04971	2.4
95.08615	21.8
97.06534	3.3
97.10180	3.5
99.08078	2.4
105.07036	13.7
107.08601	19.1
109.06528	18.2
109.10169	13.3
111.08086	2.6
117.07041	1.8
119.08569	15.8
121.06553	2.6
121.10155	12.9
122.07294	1.6
123.08073	42.8
123.11712	6.1
125.09694	2.5
131.08620	7.2
133.10149	12.4
135.08066	11.7
135.11710	7.5
137.09628	2.6
137.13263	2.1
142.07805	1.9
143.08577	1.8
145.10129	6.1
147.11697	9.3
147.13600	1.7
149.09662	2.9
149.13300	4.9
151.07574	2.4
155.08595	1.7
157.10156	3.0
159.11757	7.6
161.13290	5.9
163.11140	1.6
171.11700	2.1
173.13266	2.7
175.14833	3.5
177.12729	3.4
177.16261	1.5
179.14323	59.6
181.09538	1.6
185.13266	3.5
187.14816	4.4
189.16472	3.2
193.15907	3.3
194.31111	1.6
199.14876	2.8
201.16486	2.9
203.17964	3.0
205.15900	3.5
215.17880	3.0
221.15382	2.8
229.19833	1.7
275.20032	2.0
293.21341	2.7
303.26895	4.5
324.16760	1.5
331.26349	35.1
331.30121	2.9
349.27490	8.7
367.24750	2.9
394.72821	1.4
405.30450	2.1
415.65891	1.6
423.31137	100.0
423.36185	7.8
424.31363	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	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01868	1.6
55.05516	12.6
57.03437	3.5
57.07083	6.5
65.03942	1.3
67.05511	24.0
69.03419	3.0
69.07076	20.5
69.52885	6.8
69.53307	2.8
71.05004	1.9
71.08636	2.9
75.08028	1.3
77.09343	1.3
79.05502	17.8
81.03413	2.1
81.07066	38.2
82.61214	1.1
83.04966	1.5
83.08629	10.1
85.06535	2.7
91.05492	14.9
93.07061	27.9
95.04984	3.6
95.08618	56.8
95.59618	1.7
97.02897	5.3
97.06532	5.5
97.10173	2.7
99.04464	2.5
99.08099	1.5
105.07043	20.6
107.08605	34.1
109.02916	2.8
109.06538	16.0
109.10172	26.6
111.08071	5.6
111.11698	2.1
117.07025	2.8
119.08597	27.3
121.10149	22.2
123.08083	49.7
123.11708	9.8
124.08421	2.0
125.09641	1.9
125.27019	1.4
129.07016	1.9
131.08606	9.0
133.10141	17.5
135.08080	14.5
135.11688	14.4
137.09633	3.1
137.13260	5.4
139.11172	1.7
143.08534	3.3
145.10141	17.1
147.11716	13.6
149.09628	4.8
149.13260	10.0
155.08534	1.9
157.10123	4.8
157.90642	1.4
159.11714	11.8
161.09644	2.1
161.13268	12.3
163.11214	2.0
163.12589	1.4
163.14806	7.0
165.12721	2.0
167.14333	1.6
171.11732	3.6
171.91357	1.3
173.13286	9.5
175.14822	7.5
177.12781	4.2
177.16428	3.7
179.14322	39.6
183.11671	2.0
184.07356	1.4
185.13245	4.4
187.14857	7.3
189.16431	6.5
191.14339	2.0
191.17943	7.9
191.81677	1.2
193.15872	2.4
197.13193	1.7
199.14851	2.6
201.12932	1.7
201.16426	8.0
203.14375	1.8
203.18011	7.8
205.15836	2.7
207.17429	1.9
215.17986	7.5
217.19539	4.7
221.15430	1.5
227.17964	2.8
229.19476	4.1
233.15355	1.6
233.18996	3.3
241.19496	2.6
243.21266	1.8
245.18805	1.4
247.20618	2.2
255.20857	1.6
261.22372	1.8
263.95758	1.3
265.27414	1.5
269.22711	2.7
271.24341	1.3
275.20044	3.9
281.22757	1.5
283.24258	2.3
285.22195	2.1
293.21051	2.8
297.25720	2.0
303.26886	6.5
313.25110	1.6
321.25641	1.4
331.26331	38.7
349.27383	9.4
405.30432	2.8
405.35251	7.2
423.30984	100.0
423.36298	31.3
424.31183	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03981	2.7
50.51510	2.6
50.97370	3.3
52.59971	2.4
53.03944	5.1
55.01869	4.6
55.05512	21.3
57.03428	5.2
57.07076	4.9
65.03945	3.3
67.05511	74.8
69.03432	14.6
69.07071	31.2
69.98957	4.2
69.99380	10.4
71.04989	4.4
79.05498	47.7
81.03427	17.5
81.07063	100.0
83.04977	9.2
83.08627	14.2
85.02904	8.8
85.06554	8.1
91.05485	47.2
93.07053	75.9
95.04977	11.0
95.08613	96.0
95.09151	3.0
97.02904	7.5
97.06524	6.2
97.10174	8.9
99.04420	5.3
99.08064	4.1
105.07040	54.6
107.05011	4.0
107.08604	71.3
109.02879	4.6
109.06512	6.0
109.10165	65.3
111.04427	3.0
111.08090	7.7
111.19846	2.9
117.07040	15.7
119.08594	70.6
121.06538	6.2
121.10145	55.5
123.08086	7.6
123.11732	25.3
125.09667	5.5
129.07027	9.7
130.07829	3.0
131.08566	31.8
133.06488	3.4
133.10136	45.8
135.08080	9.3
135.11691	36.1
137.13254	18.2
142.07788	3.8
143.08577	12.9
145.10135	33.6
147.08047	2.8
147.11711	36.3
149.09651	4.0
149.13260	25.4
151.07608	2.7
157.10156	15.4
159.08070	3.8
159.11717	34.3
160.91591	2.9
161.09621	3.8
161.13240	23.9
163.11253	6.0
163.14810	12.2
165.09106	4.1
165.12810	3.2
166.18849	2.9
169.10181	7.0
171.11710	18.5
173.09732	3.6
173.11855	4.4
173.13268	28.8
175.14850	18.0
177.12799	4.5
177.16434	8.2
179.14339	4.0
183.11694	4.7
185.09592	3.2
185.13283	13.7
187.14828	16.7
187.29095	2.7
189.16360	13.6
191.14365	2.8
191.17935	19.7
195.11790	3.8
197.13297	4.8
199.14882	9.7
201.16383	16.5
203.18001	9.8
205.15985	5.4
207.17450	5.2
209.13341	3.4
211.14877	4.6
213.16370	8.7
215.17957	15.6
217.19464	6.3
219.17526	6.1
227.17993	4.6
229.15869	4.7
229.19487	3.8
231.14032	2.7
231.17517	3.8
231.21118	4.1
233.18880	3.9
239.14554	2.9
239.17940	3.2
241.19537	4.6
243.21185	4.8
257.22589	4.3
259.20755	4.2
261.22171	9.4
273.22018	4.1
277.21906	3.0
283.20810	4.1
285.21997	2.9
286.84769	2.8
289.21649	3.6
291.23404	3.4
297.10535	2.7
301.21637	4.3
303.23224	9.4
341.24634	2.9
351.23035	4.1
351.26895	3.6
369.24246	7.2
387.25406	8.4
405.26215	9.7
405.35367	5.7
423.27371	15.7
423.31894	10.5
423.37125	31.4
427.18222	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03981	2.7
50.51510	2.6
50.97370	3.3
52.59971	2.4
53.03944	5.1
55.01869	4.6
55.05512	21.3
57.03428	5.2
57.07076	4.9
65.03945	3.3
67.05511	74.8
69.03432	14.6
69.07071	31.2
69.98957	4.2
69.99380	10.4
71.04989	4.4
79.05498	47.7
81.03427	17.5
81.07063	100.0
83.04977	9.2
83.08627	14.2
85.02904	8.8
85.06554	8.1
91.05485	47.2
93.07053	75.9
95.04977	11.0
95.08613	96.0
95.09151	3.0
97.02904	7.5
97.06524	6.2
97.10174	8.9
99.04420	5.3
99.08064	4.1
105.07040	54.6
107.05011	4.0
107.08604	71.3
109.02879	4.6
109.06512	6.0
109.10165	65.3
111.04427	3.0
111.08090	7.7
111.19846	2.9
117.07040	15.7
119.08594	70.6
121.06538	6.2
121.10145	55.5
123.08086	7.6
123.11732	25.3
125.09667	5.5
129.07027	9.7
130.07829	3.0
131.08566	31.8
133.06488	3.4
133.10136	45.8
135.08080	9.3
135.11691	36.1
137.13254	18.2
142.07788	3.8
143.08577	12.9
145.10135	33.6
147.08047	2.8
147.11711	36.3
149.09651	4.0
149.13260	25.4
151.07608	2.7
157.10156	15.4
159.08070	3.8
159.11717	34.3
160.91591	2.9
161.09621	3.8
161.13240	23.9
163.11253	6.0
163.14810	12.2
165.09106	4.1
165.12810	3.2
166.18849	2.9
169.10181	7.0
171.11710	18.5
173.09732	3.6
173.11855	4.4
173.13268	28.8
175.14850	18.0
177.12799	4.5
177.16434	8.2
179.14339	4.0
183.11694	4.7
185.09592	3.2
185.13283	13.7
187.14828	16.7
187.29095	2.7
189.16360	13.6
191.14365	2.8
191.17935	19.7
195.11790	3.8
197.13297	4.8
199.14882	9.7
201.16383	16.5
203.18001	9.8
205.15985	5.4
207.17450	5.2
209.13341	3.4
211.14877	4.6
213.16370	8.7
215.17957	15.6
217.19464	6.3
219.17526	6.1
227.17993	4.6
229.15869	4.7
229.19487	3.8
231.14032	2.7
231.17517	3.8
231.21118	4.1
233.18880	3.9
239.14554	2.9
239.17940	3.2
241.19537	4.6
243.21185	4.8
257.22589	4.3
259.20755	4.2
261.22171	9.4
273.22018	4.1
277.21906	3.0
283.20810	4.1
285.21997	2.9
286.84769	2.8
289.21649	3.6
291.23404	3.4
297.10535	2.7
301.21637	4.3
303.23224	9.4
341.24634	2.9
351.23035	4.1
351.26895	3.6
369.24246	7.2
387.25406	8.4
405.26215	9.7
405.35367	5.7
423.27371	15.7
423.31894	10.5
423.37125	31.4
427.18222	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	423.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.9
55.01888	5.3
55.05523	23.9
55.10977	3.3
56.61706	2.7
57.03428	5.9
57.07087	3.7
65.03973	5.3
67.05505	26.0
68.99784	9.9
69.03438	35.1
69.07071	13.8
69.48793	22.0
71.01365	19.0
71.04991	10.0
75.01584	3.2
79.05497	22.4
81.03429	59.0
81.07060	54.7
83.04987	11.0
83.08629	5.4
85.02911	39.7
85.06548	9.6
85.87765	3.8
86.09695	5.0
87.00844	9.6
91.05499	28.8
93.07055	42.7
95.04978	15.1
95.08611	53.5
97.02892	57.3
99.04449	12.4
99.08123	4.4
105.07042	76.8
107.04988	4.9
107.08600	69.9
109.02888	53.5
109.06522	12.2
109.10153	36.8
111.04466	10.9
111.08046	6.0
115.03935	6.0
115.05355	3.2
115.34547	3.2
117.07004	11.5
119.08593	100.0
120.08125	3.9
121.06509	7.6
121.10152	42.3
123.08078	12.2
123.11691	22.7
125.09637	4.7
127.03929	95.8
129.06985	5.0
130.07823	3.4
131.08562	29.9
133.06514	3.4
133.10141	60.4
135.04408	3.1
135.08102	7.1
135.11710	18.6
137.09607	8.6
142.07874	3.1
143.08580	11.7
144.09338	4.8
145.04918	4.1
145.10112	25.8
147.04410	7.6
147.08041	5.8
147.11710	23.8
149.09639	10.5
149.13274	8.6
150.55580	3.4
151.03917	4.0
151.11191	19.8
157.10181	17.4
159.08054	4.6
159.11688	22.7
161.09637	5.4
161.13306	10.1
163.03940	4.4
163.11125	7.1
163.14877	6.4
165.09177	4.4
171.08133	3.6
171.11653	8.4
173.13263	33.6
175.11230	6.5
175.14839	47.1
177.16304	5.6
183.11748	7.7
185.13261	11.2
187.11176	4.8
187.14900	15.4
191.14409	15.8
193.15929	23.1
195.11810	4.8
197.13272	7.2
199.11140	5.6
199.14856	6.3
201.12775	4.2
201.16415	6.3
203.14392	4.6
205.15701	4.5
207.11804	3.6
211.16934	4.5
213.03986	18.9
213.16383	3.4
215.14351	5.0
217.15923	9.2
225.12582	5.1
229.15862	3.6
241.15831	3.4
245.15419	4.8
259.17014	4.4
268.06595	3.5
283.16931	6.0
301.17981	9.1
319.19046	6.7
387.18045	3.9
405.19006	13.4
423.20358	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	423.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05694	2.9
53.03934	10.6
54.50691	2.7
55.01863	12.0
55.05513	15.5
57.03421	11.4
57.07062	3.9
61.02908	12.3
61.85193	2.6
63.66440	3.1
66.53384	3.0
67.05512	25.7
68.99785	9.9
69.03423	42.5
69.07071	17.7
69.44124	24.6
71.01361	4.3
71.04986	7.7
73.02908	7.2
74.27200	2.8
79.05498	26.9
81.03416	43.1
81.07061	48.4
83.04968	12.3
83.08610	10.2
85.02422	4.4
85.02907	57.5
85.06535	3.7
86.09689	10.0
87.00827	23.4
91.04964	4.2
91.05482	44.5
93.07051	51.9
95.04966	24.5
95.08607	54.0
97.02895	49.2
97.06559	5.0
99.04441	9.7
99.08096	4.7
103.03956	2.9
103.05446	4.6
105.01867	11.8
105.07030	70.7
107.04934	7.7
107.08600	65.2
109.02883	32.2
109.06534	16.2
109.10151	47.7
111.04439	11.9
111.08064	5.8
115.03919	10.0
115.05509	4.1
117.07017	18.4
119.08583	100.0
121.06496	11.3
121.10144	52.5
123.04488	3.8
123.08040	13.9
123.11698	12.5
125.09669	4.2
127.03922	48.9
128.06215	7.2
129.01840	8.4
129.07042	15.5
131.08571	45.5
133.06465	4.2
133.10136	74.3
135.08040	10.9
135.11696	37.6
137.06006	7.4
137.09610	7.5
141.07034	3.1
142.07765	13.1
143.08559	34.5
144.09338	6.1
145.04927	6.1
145.06621	5.9
145.10112	61.6
147.02844	4.9
147.08034	14.3
147.11684	29.5
149.09628	8.7
149.13229	12.5
151.07561	4.3
151.11200	5.1
154.27446	2.8
155.08597	10.3
156.09337	13.2
157.10144	39.0
158.10948	7.8
159.02921	9.0
159.08093	10.7
159.11713	50.0
161.09587	10.1
161.13272	44.6
163.11177	8.5
167.08543	4.4
167.32111	3.2
168.09384	4.6
169.10133	11.6
170.10886	10.0
170.36021	3.5
171.11719	28.2
172.12502	4.2
173.09663	5.6
173.13272	68.2
175.11174	9.3
175.14835	50.3
177.12833	7.1
177.16348	11.3
181.10109	6.1
183.11687	12.8
184.12401	3.7
185.09633	7.0
185.13292	29.2
187.14832	45.4
189.03896	6.1
189.09161	5.9
189.12784	8.4
189.16391	13.9
191.14314	8.9
193.15927	15.1
195.11702	8.1
197.13281	21.3
199.11201	7.7
199.14827	27.8
201.12805	6.4
201.16348	10.7
203.10605	4.1
203.14330	29.3
203.17984	6.1
205.15883	27.4
207.11766	3.7
209.13284	6.5
211.14774	10.8
211.16615	4.4
213.03917	7.3
213.12764	3.9
213.16370	9.6
215.14392	16.6
217.15889	30.5
219.17445	5.6
221.15422	4.4
223.11046	3.2
223.14748	6.0
225.12685	6.6
225.16328	5.4
227.14261	3.7
229.15874	9.8
231.04889	3.6
231.13824	4.9
231.17244	4.6
239.18086	3.3
241.15866	8.4
243.17450	5.2
245.15396	5.4
247.14777	3.9
251.17963	3.3
259.16968	8.7
265.15915	9.2
283.16965	21.3
301.18015	20.2
319.19049	6.8
387.18051	8.8
405.19113	23.4
405.31503	11.5
423.20294	41.0
423.32794	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	422.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34356	0.3
52.61543	0.3
55.05502	0.5
56.05049	0.8
58.06588	0.8
60.07874	0.6
60.08172	12.0
67.05511	1.8
67.20691	0.3
68.59061	0.3
69.07072	0.6
70.06594	0.7
71.07381	3.3
71.59097	0.4
76.11509	0.3
79.05517	0.6
81.07065	1.9
86.09715	28.1
91.05468	0.7
93.07062	0.8
95.08608	1.5
98.98480	2.7
102.09202	0.7
104.10754	100.0
105.07026	0.9
105.11100	0.6
107.08620	0.9
108.58595	0.3
109.10155	1.1
111.08084	0.5
113.50130	0.3
119.08573	0.9
121.10190	0.8
125.00018	20.0
131.08572	0.7
133.10130	0.6
135.11691	0.5
145.10133	0.5
147.04485	0.6
147.11723	0.5
149.02383	2.1
149.13220	0.4
152.43449	0.3
159.11687	0.8
173.13281	0.7
184.07359	24.3
187.14796	0.4
187.80283	0.3
193.04968	2.0
256.26495	1.0
404.29965	0.4
408.60925	0.3
422.30289	16.6
423.32333	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	423.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.2
57.07065	2.1
60.19633	1.3
60.52901	1.3
61.00875	1.1
61.01155	9.4
67.05499	1.7
69.03422	2.1
70.06591	2.0
71.04963	1.7
72.04522	11.7
73.02915	1.7
78.03801	16.5
79.05515	1.3
81.03417	2.6
83.04984	3.5
85.02909	10.1
85.06556	3.0
86.06049	2.1
87.45770	1.2
88.02222	6.8
91.05482	1.8
93.07055	1.3
95.04978	1.9
97.02884	2.4
98.02382	2.5
99.04451	5.6
99.05595	3.7
100.02177	2.2
102.03777	28.1
103.02155	2.5
103.03951	16.9
109.02872	4.9
113.06017	2.8
114.03749	3.1
120.04810	6.2
121.10160	1.3
124.07580	1.3
126.05526	21.6
127.03923	7.5
131.06372	10.2
132.04799	16.6
142.08633	5.3
146.02699	3.4
147.04408	1.4
149.07455	48.4
152.07022	2.3
154.08601	1.5
158.02713	1.5
159.05861	4.0
163.03926	1.4
175.05421	3.5
180.06584	13.2
184.09691	2.9
190.78801	1.3
198.07602	4.2
216.08752	3.0
218.08246	1.4
228.13135	2.6
231.11621	4.7
257.09491	2.2
260.00732	1.4
261.12735	3.5
275.10590	3.3
293.11679	100.0
294.11804	2.3
405.12057	2.7
405.16965	39.1
409.13181	1.3
423.12082	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	422.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.0
53.03944	3.3
55.01876	1.2
55.27932	0.6
57.03430	1.7
57.19432	0.7
69.03429	9.2
69.90508	2.0
69.90917	1.3
71.04993	1.4
73.02932	1.3
75.29991	0.6
76.75379	0.6
78.03458	20.7
80.05004	3.2
81.03423	19.2
82.56292	0.6
85.02915	8.1
96.02117	1.5
96.04507	4.1
97.02896	6.9
99.04480	3.7
106.02924	72.6
107.03233	0.7
109.02895	11.9
109.57255	0.7
124.03965	100.0
125.04330	0.6
127.03917	8.3
131.08565	0.9
137.02347	52.1
145.04948	1.0
155.03427	0.8
161.09631	1.0
164.26793	0.7
166.05107	1.0
189.09007	0.7
191.10776	1.1
196.06082	1.0
207.10172	0.9
208.06151	1.2
209.11757	1.1
225.11301	1.6
227.12822	2.0
232.06189	1.0
250.07126	31.8
268.08185	36.5
269.08630	0.7
404.09799	20.5
422.10843	13.7
445.26935	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	422.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01865	5.1
55.05507	8.9
56.20430	2.5
57.03438	5.5
61.02911	7.2
67.05503	3.2
68.99805	2.3
69.03433	25.2
69.07069	68.6
69.84798	2.4
70.06590	5.0
70.92432	5.2
71.04995	6.2
73.02913	4.2
81.03423	19.4
81.07053	2.5
85.02908	61.2
87.00831	38.5
93.07084	4.4
95.08614	18.7
97.02912	24.0
97.06571	3.9
99.04420	7.1
105.01878	46.3
109.02885	19.7
111.11720	62.6
121.10117	5.8
127.03916	41.0
127.46193	2.5
139.11191	78.0
143.56425	2.2
145.04932	14.5
146.06030	5.4
147.04404	5.6
157.12254	100.0
157.13545	6.1
159.02884	7.6
163.03897	4.0
231.04984	8.5
285.56512	2.6
287.05386	2.9
300.08801	3.7
305.49506	2.5
349.71185	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	421.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05513	8.6
56.68629	0.8
57.07068	1.8
67.05510	10.8
69.03426	1.5
69.07063	5.8
69.47440	1.9
69.47845	5.5
71.04996	1.1
75.66277	0.9
79.05492	9.6
81.07060	20.4
83.04994	8.9
83.08629	4.7
91.05482	15.3
93.07051	18.8
95.04951	3.9
95.08610	30.4
97.06503	1.3
97.10145	1.3
98.21471	1.8
99.08093	1.3
101.99353	0.8
105.04491	1.0
105.07035	25.5
107.04942	1.3
107.08604	32.9
109.06539	2.7
109.10168	20.8
111.08076	4.6
115.05489	1.0
117.07039	5.1
119.08584	30.9
121.06512	3.5
121.10145	20.7
123.08083	2.1
123.11703	8.2
125.09638	2.6
125.64374	0.9
128.06265	1.2
129.07008	5.1
131.08582	13.6
133.06488	2.8
133.10133	27.0
135.08058	9.2
135.11688	6.2
137.09589	2.9
137.13264	1.7
142.07784	3.9
143.08562	8.9
144.09309	1.8
145.06496	3.2
145.10126	18.8
146.07265	2.4
147.08061	13.1
147.11703	12.2
149.02371	1.4
149.05937	0.9
149.09622	3.3
149.13237	3.2
151.11177	4.1
155.08528	2.4
156.09389	4.6
157.06566	1.2
157.10132	13.2
158.07199	1.2
158.10980	1.5
159.08070	11.6
159.11713	16.4
160.08836	1.3
161.08287	1.7
161.09631	31.8
161.13272	6.8
162.09938	1.3
163.11232	1.4
163.14861	2.5
169.10149	4.1
170.10931	2.9
171.08063	3.1
171.11708	11.1
172.08899	2.6
172.12418	1.1
173.09615	7.7
173.13248	13.4
174.10326	2.0
175.11221	7.7
175.14784	7.3
177.12779	1.7
177.16472	2.4
181.09984	1.3
183.11705	5.3
184.12454	1.2
185.09584	5.0
185.13255	6.5
186.10390	3.0
187.11200	6.3
187.14789	8.5
188.11923	1.8
189.12740	5.3
189.16457	5.2
191.14339	2.6
193.12170	1.3
195.11710	2.1
197.13268	3.6
199.11197	5.0
199.14857	5.4
200.12117	1.0
201.12750	27.2
201.16425	7.5
203.14328	100.0
203.18027	3.0
204.14674	1.8
205.15894	5.8
207.11674	1.3
209.13364	1.5
211.14861	2.6
213.12762	3.6
213.16402	9.8
215.14326	12.5
215.17946	3.6
217.15891	11.9
219.13818	4.4
221.13348	1.0
223.14825	1.7
225.12892	1.4
225.16373	2.5
227.14290	3.6
227.17937	1.3
229.15912	12.0
231.17447	15.0
233.15280	1.2
233.19067	1.4
235.14920	1.3
237.16278	1.1
239.14279	1.2
239.18001	1.6
241.15909	1.9
243.17484	2.0
251.17972	2.6
253.19461	1.3
255.17418	2.1
257.18970	2.3
267.17657	1.3
267.21097	1.8
269.19028	4.4
271.20444	1.6
281.19122	1.5
283.20514	2.9
309.22168	1.2
321.22330	1.0
327.23358	2.0
333.22156	1.1
351.23288	2.7
393.31436	1.6
403.29907	8.9
421.26898	2.0
421.31006	50.4
422.30930	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	421.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
54.27565	0.9
55.05294	1.1
55.05512	11.6
57.03426	1.3
57.07081	5.5
65.03932	2.0
67.05508	16.8
69.03419	1.2
69.07076	14.0
79.05113	1.2
79.05502	13.2
81.07063	23.3
81.63735	1.1
83.04974	3.2
83.08633	9.7
85.06536	2.4
90.07352	1.0
91.05483	15.2
93.07055	20.3
95.04982	3.8
95.08611	32.8
97.06534	2.5
97.10165	2.0
98.20713	2.9
99.08110	1.9
103.05441	1.9
105.07027	25.7
107.04960	1.6
107.08605	32.8
109.06530	4.4
109.10164	26.3
111.08082	2.1
115.05431	1.9
116.06234	1.5
117.07004	6.6
119.08589	40.9
121.06509	2.7
121.09318	1.7
121.10152	28.3
123.08051	3.6
123.11723	11.9
124.88601	0.9
125.09660	3.8
128.06210	2.4
129.07027	4.5
130.07791	1.3
131.08568	12.4
131.96762	1.1
133.06544	1.3
133.10132	24.5
133.11079	1.9
135.08067	12.0
135.11714	12.2
135.23885	1.2
137.06021	1.6
137.09619	3.2
137.13286	3.0
139.11201	2.0
142.07712	2.4
143.08563	9.2
144.09361	2.2
145.06522	3.4
145.10127	26.9
146.07324	1.3
147.08061	24.0
147.11696	18.0
149.09616	6.4
149.13272	7.8
151.11206	2.9
151.14795	1.4
153.12758	1.2
154.07794	1.1
155.08572	3.4
156.09364	5.3
157.10136	10.1
158.07288	1.3
158.10820	2.3
159.08064	11.5
159.11694	20.9
161.09645	24.2
161.13246	9.8
163.11240	5.4
163.14824	3.0
165.12779	3.3
167.08742	1.4
167.27902	1.4
169.10165	3.9
170.10889	3.5
171.08029	4.8
171.11739	11.1
172.08823	5.9
172.12442	1.6
173.09657	13.0
173.13277	16.2
174.10400	2.1
174.14075	1.4
175.11215	12.0
175.14815	11.1
177.12782	3.1
177.16403	9.1
181.10141	1.6
182.10901	1.8
183.11699	7.2
184.08929	1.8
185.09644	3.9
185.13246	6.0
186.10434	10.8
187.11174	12.7
187.14796	9.3
188.12007	2.9
189.12798	5.9
189.16447	6.2
190.13580	3.6
191.18022	2.0
195.11763	2.0
195.13713	1.6
197.09482	1.3
197.13274	4.5
198.10341	1.7
199.11198	35.9
199.14865	1.6
200.11865	1.4
201.12762	63.0
201.16426	2.3
203.14333	100.0
203.18060	3.3
204.14801	2.3
205.15891	22.7
205.19521	2.7
207.13780	1.1
207.17448	2.9
209.13336	1.8
211.14877	3.0
213.12833	5.4
213.16367	8.6
215.14331	47.6
215.17937	5.2
216.14720	1.6
217.15912	24.5
217.19502	4.5
221.13292	1.1
223.14821	2.0
225.12822	1.7
225.16393	2.5
227.14337	3.2
227.18016	1.4
229.15967	1.6
231.17445	19.1
233.19041	2.5
235.20660	3.6
237.16321	1.5
239.14526	1.7
239.17993	2.0
241.15855	2.0
243.17404	2.4
249.16417	3.0
251.17990	3.7
253.15927	2.1
255.17453	1.9
257.19016	1.5
265.19586	3.6
267.17407	1.4
306.66324	1.4
311.20041	1.3
319.26285	1.4
335.23560	1.3
347.25916	9.3
403.29871	7.8
421.30948	70.4
422.31241	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	421.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62766	1.1
53.03935	1.9
55.05511	10.2
57.03461	1.2
67.05508	15.2
69.03420	2.0
69.07072	9.8
70.52876	1.3
70.53220	3.2
79.05490	11.5
81.07060	25.0
83.04992	5.6
83.08604	3.8
85.73315	1.1
87.78755	1.1
88.07597	1.2
88.41088	1.2
91.05476	16.5
93.07051	23.4
95.04968	5.7
95.08615	42.1
97.06532	4.2
97.10184	1.5
99.08038	1.9
103.05473	1.2
105.07032	32.3
107.08601	40.4
109.06517	3.8
109.10162	18.2
111.08108	6.9
115.05441	2.0
117.07014	7.6
119.08588	39.0
121.06506	4.7
121.10152	18.6
123.08072	7.7
123.11726	5.8
125.09641	4.4
128.06232	3.8
129.06998	4.5
130.07848	2.3
131.08569	23.4
133.06528	2.2
133.09225	2.1
133.10139	22.3
135.08064	11.6
135.11694	9.6
137.09599	4.1
137.13222	2.0
141.06972	3.0
142.07788	5.2
143.08566	16.4
144.09329	1.7
145.10129	40.0
147.08061	8.6
147.11700	15.5
149.09598	5.2
149.13292	6.9
151.11218	3.5
155.08556	8.5
156.09352	5.2
157.10133	22.4
158.10890	2.9
159.08095	8.5
159.11693	32.9
161.09607	17.1
161.13281	11.1
163.11198	4.0
163.14847	5.3
165.07011	1.5
167.08595	2.3
168.09369	1.9
169.10146	11.4
170.10931	5.8
171.08041	2.3
171.11694	15.9
173.09641	6.3
173.13261	21.6
175.11194	5.6
175.14844	10.7
177.12779	3.2
177.16292	1.7
179.08585	1.2
181.10109	5.7
182.10892	2.0
183.11685	18.1
185.09673	3.3
185.13257	21.4
187.11172	4.7
187.14839	31.6
188.11955	1.5
188.15143	1.5
189.12781	4.8
189.16408	3.5
191.14310	5.5
193.10161	2.5
195.11710	4.5
196.12408	2.7
197.13274	9.1
198.13974	1.6
199.11227	4.4
199.14839	20.9
201.12776	7.5
201.16406	15.3
203.14328	32.6
203.17917	1.5
205.15831	3.3
207.11696	2.4
209.13283	4.6
210.14125	1.2
211.14832	7.5
213.12759	2.9
213.16359	9.0
215.14449	5.6
215.17969	4.2
217.15895	8.0
219.13855	3.4
221.13377	2.4
221.15414	2.5
222.13947	1.5
223.14871	3.2
225.12709	1.4
225.16394	6.2
227.14392	2.6
227.17935	6.1
229.15877	7.4
231.17487	3.9
233.13171	1.3
235.14848	1.5
237.16380	3.0
239.14192	1.4
239.17955	7.7
241.15852	3.5
241.19572	4.0
243.17502	5.6
247.14644	1.5
249.16376	2.8
251.17984	4.2
253.15953	2.9
253.19617	5.5
255.17642	3.4
255.21109	3.4
257.19043	3.6
263.18164	2.0
265.19476	4.2
267.21069	4.1
269.18994	2.9
279.21191	1.4
281.22665	1.5
283.20630	1.9
297.22363	1.6
305.22638	1.3
319.24219	1.3
321.21881	1.8
327.23080	2.2
333.22122	2.0
337.49380	1.3
339.23260	2.5
339.26978	1.7
351.23181	2.4
363.26755	5.5
365.24442	1.8
375.30441	3.2
385.28806	2.2
391.29871	2.2
393.31589	2.9
403.29996	18.5
421.30994	100.0
422.31348	4.1
438.37366	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	421.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05502	5.6
58.14096	1.1
58.60672	1.2
61.61366	1.1
67.05507	9.6
69.03415	1.6
69.07055	5.3
69.42838	9.7
79.05491	6.2
81.07065	15.7
83.08618	3.1
91.05489	11.5
91.55958	1.2
93.07051	15.5
94.62984	1.1
95.04868	1.0
95.08043	2.2
95.08614	29.2
97.06538	3.2
99.08061	2.1
105.06473	1.5
105.07038	15.7
107.03340	1.4
107.08601	32.7
107.91248	1.2
109.06533	3.3
109.10157	15.1
109.54434	1.1
110.78515	1.3
111.08051	2.3
115.05420	1.4
117.07018	3.8
119.08586	24.6
119.09439	2.0
121.06493	4.7
121.10145	11.7
123.08058	2.1
123.11718	5.2
125.09643	3.1
128.06206	1.4
129.07021	2.4
130.07770	2.0
131.08591	10.7
133.06519	1.6
133.10139	21.8
135.08009	8.4
135.11694	4.9
137.09590	2.3
142.07779	1.7
143.08565	9.0
144.09344	1.5
145.06496	1.3
145.10115	16.9
146.07254	2.2
147.08037	9.8
147.11693	10.8
149.09630	2.7
149.13255	3.5
151.11201	1.3
153.09105	1.7
155.08682	1.4
156.09372	3.1
157.10139	13.3
158.10857	1.9
159.08034	6.3
159.11681	19.8
160.08823	1.3
161.09628	38.7
161.13278	7.4
163.14835	2.4
169.10150	5.1
170.10979	2.3
171.08009	2.5
171.11720	9.9
173.09601	4.9
173.13284	12.9
174.10382	1.5
175.11237	7.1
175.14844	7.6
179.08591	1.2
181.10141	1.8
183.11736	4.5
185.09697	1.5
185.13258	6.8
186.10426	1.5
187.11192	3.8
187.14824	10.3
188.11998	1.9
189.12756	3.5
189.16386	3.5
191.14333	1.8
195.11800	1.8
197.13332	4.0
199.11198	3.4
199.14864	7.5
200.11731	1.4
201.12761	10.8
201.16418	10.7
203.14331	100.0
204.14551	1.4
205.15843	2.8
207.11703	1.4
208.12486	1.4
209.13269	2.9
211.11194	2.0
211.14847	3.4
213.12807	1.9
213.16394	8.4
215.14317	5.1
215.17892	2.9
217.15866	9.4
219.13821	5.0
225.16386	2.5
227.14281	2.8
227.18042	2.8
229.15849	4.3
231.17450	3.7
233.15411	1.6
235.14771	2.0
237.16391	3.0
239.17891	2.3
241.15880	1.9
243.17464	3.6
253.19484	2.5
255.17393	2.0
255.67906	1.3
257.19034	2.7
267.21140	1.6
269.19000	3.4
283.20578	2.4
311.23749	1.6
323.23651	1.4
327.23163	2.4
351.23224	4.3
393.31488	1.5
403.29861	8.2
421.31030	58.2
422.31308	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	421.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.05518	8.8
55.92713	1.4
57.07076	3.7
67.05221	1.3
67.05520	15.6
69.07084	10.1
70.80009	3.2
79.05505	12.2
81.07059	17.9
82.11646	1.7
83.04986	4.1
83.08635	4.3
83.76217	1.8
89.35490	1.4
91.05495	17.7
93.07057	20.2
95.04972	4.1
95.08039	2.8
95.08621	32.6
97.10141	1.4
99.08101	2.0
105.07047	27.5
107.08604	42.0
109.06538	3.6
109.10168	20.5
111.08085	5.3
111.44121	1.7
117.07018	4.5
119.08585	31.1
121.06535	3.0
121.10165	26.1
123.08085	3.1
123.11722	7.4
128.06204	2.9
129.07019	3.1
131.08591	12.7
133.06508	2.3
133.10143	24.3
135.08067	7.3
135.11713	11.4
136.44672	1.4
137.09555	3.4
137.13280	2.1
140.99394	1.4
141.07013	1.5
142.07797	3.9
143.08568	10.1
145.06496	3.2
145.10152	24.1
147.08066	9.5
147.11710	14.8
149.09619	2.1
149.13300	6.8
151.11174	5.2
153.96443	1.4
155.08546	5.6
156.09346	4.4
157.10126	15.0
158.07222	2.1
158.10919	2.1
159.08084	11.3
159.11717	17.9
161.09657	18.5
161.13284	11.9
163.11244	3.3
163.14850	2.9
165.07018	2.2
165.12756	3.5
167.08633	2.0
169.10161	8.6
170.10846	1.8
171.08090	4.3
171.11711	15.6
173.09648	9.7
173.13290	10.8
174.10397	1.7
175.11203	6.3
175.14861	8.9
177.12805	2.4
177.16374	3.7
179.08604	1.9
181.10138	4.5
182.10936	2.1
183.11696	10.8
184.12428	1.8
185.09650	5.3
185.13271	11.6
186.10384	6.1
187.11220	9.9
187.14819	10.8
189.12790	6.2
189.16411	6.8
191.14401	2.3
193.10234	2.6
195.11751	6.8
197.13228	7.6
199.11201	6.7
199.14835	8.9
201.12750	21.9
201.16371	6.7
203.14346	55.2
205.15910	7.3
207.11784	2.9
209.13315	6.2
211.14740	7.5
213.12770	6.7
213.16444	8.9
215.14368	16.6
215.17952	3.6
217.15935	6.8
219.13928	2.3
219.17496	1.6
221.13283	1.7
223.14801	5.1
225.16345	5.6
227.14339	6.2
227.17999	4.2
229.15919	9.0
231.17430	9.1
235.14937	2.1
237.16469	4.4
239.18173	2.4
241.15936	6.2
241.19550	1.8
243.17502	3.7
249.16475	2.7
251.17993	7.5
253.15977	2.0
253.19461	2.6
255.17528	3.1
257.19067	3.8
265.19644	2.5
267.17477	2.3
267.21005	2.0
269.19006	8.4
271.20786	2.4
281.18994	1.6
283.20718	4.5
295.20621	1.7
309.21979	1.9
323.23996	1.5
351.23096	2.0
363.26874	1.7
375.30386	2.6
379.29785	1.7
386.23392	1.7
393.31448	4.1
403.29984	18.0
421.31036	100.0
422.31308	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	421.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01863	1.5
55.05511	12.6
57.03410	1.3
57.07074	1.3
65.03920	1.3
67.05511	19.5
69.03429	2.7
69.07069	8.7
69.49929	9.4
71.04989	1.5
79.05499	13.7
81.03404	3.3
81.06636	1.9
81.07063	23.1
83.05004	1.9
83.08613	5.1
85.02932	1.1
85.06565	1.8
91.05492	19.2
93.07050	23.5
95.04997	7.6
95.08611	37.0
97.06535	5.4
97.10165	2.2
98.20730	2.2
99.08117	1.4
103.05445	2.1
105.06377	2.1
105.07035	30.1
107.04967	1.9
107.08602	37.4
109.06519	5.2
109.09459	1.8
109.10167	25.3
111.08080	4.4
115.05512	1.6
117.07020	4.9
118.64575	1.4
119.06022	1.1
119.08589	38.0
121.06525	5.8
121.10152	19.6
123.08063	3.8
123.11700	4.4
125.09621	6.7
128.06209	2.3
129.07008	5.0
130.07829	1.6
131.08572	17.1
133.06531	2.7
133.10138	26.1
133.49692	1.3
135.08038	14.7
135.11694	7.9
137.09602	4.9
137.13272	2.2
141.07016	2.6
142.07788	5.2
143.08557	13.1
144.09352	3.2
145.06448	2.9
145.10135	26.4
146.07263	2.0
146.10886	1.3
147.08049	8.6
147.11699	13.3
149.09605	5.0
149.13307	6.9
151.11180	2.7
151.36720	1.2
155.08556	6.3
156.09355	3.9
157.10124	18.2
158.10907	2.3
159.08081	13.9
159.11685	20.3
160.08943	1.6
161.09630	23.3
161.13220	8.5
163.11209	3.0
163.14841	4.5
167.08563	2.0
168.09216	1.2
169.10106	8.0
170.10878	3.9
171.08058	3.5
171.11688	13.6
172.08823	1.9
173.02383	1.3
173.09618	12.5
173.13225	12.3
174.10471	1.5
175.11121	5.5
175.14810	11.7
177.12743	2.3
177.16382	1.7
181.10190	2.0
183.11690	8.5
184.12465	1.8
185.09621	6.7
185.13274	10.6
187.11201	8.4
187.14828	15.4
188.12042	1.7
189.12767	4.7
189.16394	5.4
191.14276	2.9
193.15758	1.4
195.11703	4.1
197.13243	8.9
198.10332	1.6
199.11148	5.7
199.14862	9.1
201.12704	12.1
201.16389	9.2
203.14340	62.7
204.14732	1.5
205.15915	3.7
209.13226	4.2
211.11211	2.3
211.14848	5.5
213.12766	5.7
213.16449	10.1
215.14429	8.5
215.17944	3.7
217.12292	1.4
217.15906	10.2
219.13805	3.9
221.13315	2.3
223.14880	2.8
225.12830	1.7
225.16307	3.4
227.14418	3.3
227.17935	4.7
229.15898	9.9
229.19684	1.6
231.17490	4.5
235.14603	1.1
237.16324	2.5
239.14291	2.3
239.18018	3.2
241.15869	4.4
241.19556	3.4
243.17441	6.9
245.15207	1.3
251.14272	1.3
251.17921	3.3
253.15907	3.5
253.19487	3.4
255.17436	3.3
257.19061	2.9
259.09641	3.4
263.17947	1.5
265.19559	2.5
267.17404	1.4
267.21173	2.2
269.18927	2.6
279.21124	1.2
281.19260	2.1
283.20618	4.0
293.18823	1.5
295.20566	2.3
297.22098	2.9
309.22086	2.7
311.23694	1.6
327.23166	2.3
329.21100	4.8
333.22107	1.4
339.23102	2.0
347.23529	1.8
351.23218	5.4
363.26752	2.4
393.31659	1.6
403.24777	2.6
403.29892	14.1
421.26450	4.5
421.30981	100.0
422.31265	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	421.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.2
56.21474	1.0
65.03953	1.1
67.05507	7.8
69.07076	6.1
70.51920	3.8
75.28836	1.2
79.05490	8.5
81.07055	11.2
83.08617	3.4
91.05481	8.6
91.35251	1.0
93.07039	10.3
95.04948	1.9
95.08602	19.1
96.64023	1.1
97.06499	1.3
97.10170	1.5
105.07035	13.8
107.08598	21.3
109.06508	2.2
109.10164	7.8
111.08094	1.3
117.07026	3.5
119.08585	17.7
121.06487	3.9
121.10147	10.8
123.02499	0.9
123.08070	2.5
123.11731	3.3
125.09649	2.5
129.07005	2.4
131.08572	7.3
133.06479	3.4
133.10133	11.2
135.08057	36.8
135.11702	4.7
136.08386	1.0
137.09636	1.2
137.13277	1.4
141.06975	1.4
142.07785	1.9
143.08545	4.6
145.06480	1.4
145.10123	13.2
147.08083	6.0
147.11713	6.6
149.09630	3.5
149.13194	2.4
151.11212	2.0
155.08591	2.3
156.09340	1.6
157.10158	8.1
158.10922	1.1
159.08083	3.8
159.11708	11.1
161.09624	12.3
161.13260	5.4
169.10132	2.8
170.10902	1.3
170.40652	1.1
171.08084	2.0
171.11687	7.1
173.09653	5.2
173.13295	3.8
175.11209	4.7
175.14851	3.5
177.12784	1.7
177.16479	1.1
181.10110	1.4
183.11696	5.3
185.09619	1.7
185.13271	5.0
187.11179	3.1
187.14839	6.8
189.12778	4.3
189.16437	2.9
195.11768	1.9
197.13268	3.4
199.11232	2.6
199.14825	3.7
201.12686	4.8
201.16373	3.8
203.14320	31.1
205.15886	1.6
209.13252	2.6
211.14903	2.4
213.12956	1.3
213.16444	3.7
215.14360	3.7
215.17906	2.0
217.15907	6.6
219.13777	2.2
221.13260	1.4
223.14789	2.8
225.16402	1.9
227.18045	1.4
229.15965	3.4
231.17493	1.5
239.17984	1.2
241.15848	1.4
243.17450	3.1
253.19498	3.0
255.17377	3.0
255.21094	1.4
267.17548	2.8
267.21042	1.4
269.19095	1.2
282.29642	1.1
297.22083	1.6
351.23431	2.6
403.30017	10.2
421.31012	100.0
422.31393	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	421.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87697	1.9
53.03946	3.1
55.01873	6.8
55.05520	12.9
57.03445	10.3
57.06818	2.7
57.07079	39.8
57.40929	1.9
57.98711	1.5
65.03944	2.2
66.38091	1.4
67.05507	23.0
69.07076	17.1
69.44881	13.5
70.39783	1.6
70.99315	1.6
71.04998	3.0
71.08636	2.0
73.96539	1.4
79.05490	17.5
81.06578	2.5
81.07059	44.9
82.33443	1.7
83.05001	3.4
83.08626	7.5
85.06551	19.9
91.05485	17.6
93.07062	22.2
95.04949	5.0
95.08610	36.1
97.06532	6.0
97.10174	2.6
99.08089	1.8
105.07018	23.6
107.08602	32.6
109.06509	23.4
109.10165	19.2
111.04443	3.8
111.08116	5.1
117.07033	4.5
119.08583	23.4
121.06544	4.3
121.10162	17.5
123.08078	12.7
123.11734	6.6
125.09605	2.6
129.06985	1.8
131.08591	12.9
133.10161	20.3
135.08078	16.3
135.11734	11.6
137.05980	23.5
137.09644	2.9
139.07471	2.2
141.06917	1.9
143.08543	6.8
145.10121	18.2
147.08084	6.3
147.11720	11.7
149.09619	7.4
149.13275	6.3
151.07542	8.1
151.11237	3.2
153.12770	2.1
155.08534	2.4
157.10135	9.9
159.08090	3.4
159.11716	13.5
161.09621	7.9
161.13304	6.6
163.11209	3.1
163.14841	3.1
165.12766	7.8
167.10649	1.8
169.10120	4.8
171.11676	10.1
173.05817	1.8
173.09596	2.3
173.13255	10.9
175.11182	4.9
175.14818	4.7
177.12764	7.0
177.16414	3.3
179.14346	3.2
181.10121	3.1
181.31013	1.7
183.11681	5.0
185.13278	7.1
186.10503	2.2
187.11186	2.7
187.14830	7.6
189.12785	3.2
189.16431	3.3
190.13309	1.6
191.14426	3.2
193.05011	2.2
193.12202	2.6
197.13290	4.4
199.11247	4.2
199.14844	5.7
201.12753	7.3
201.16422	5.5
203.14323	17.5
203.18053	1.9
205.15918	3.3
207.13783	7.9
209.13222	2.2
213.16400	5.0
215.14333	5.6
215.17888	3.0
217.15935	4.2
225.16391	2.3
231.17487	4.5
233.18959	3.9
237.16495	3.1
243.17465	2.2
251.17975	2.4
253.19644	2.7
263.20105	2.9
282.01193	2.1
291.19485	2.0
301.25357	2.4
306.66138	2.7
319.26532	8.4
329.21152	3.0
329.24823	5.3
337.27423	4.3
347.25821	100.0
348.26355	2.2
365.26871	20.5
393.30078	12.2
401.78311	1.9
403.29361	5.8
421.29688	61.7
421.34711	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	421.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01862	0.6
55.05500	2.8
57.07080	0.6
67.05512	3.4
69.03426	6.5
69.07060	1.9
70.36106	1.7
79.05500	5.7
81.03418	2.6
81.07063	6.5
83.04984	3.2
83.08606	0.7
85.02902	1.7
87.00811	2.6
91.05482	6.0
93.07046	4.9
95.04994	1.3
95.08614	2.5
97.02900	2.9
98.21490	0.7
99.04458	1.0
100.85629	0.5
103.05451	0.5
105.01857	0.6
105.07039	8.3
107.04966	4.6
107.08601	23.1
109.02885	3.5
109.06517	2.8
109.10155	6.2
115.05448	2.1
117.07026	2.2
119.08598	4.3
121.06504	1.8
121.10159	10.6
122.07301	6.4
123.08067	1.5
125.84277	0.5
127.03916	15.8
131.08568	2.8
133.10138	100.0
134.10483	1.2
135.08070	8.1
135.11722	1.0
137.09627	55.4
143.08574	1.7
145.04951	1.1
145.10144	2.5
147.08090	0.5
147.11725	2.8
149.09627	2.7
149.13280	6.9
157.10127	0.7
158.10922	2.0
159.11739	0.8
161.09677	0.7
163.14828	1.6
171.11832	0.8
173.13290	7.4
175.11258	0.5
176.75169	0.5
179.07048	0.6
191.14317	45.2
192.14668	1.1
199.14836	0.8
203.14450	0.9
213.03987	3.0
213.30486	0.5
231.04977	2.0
234.85884	0.6
257.15390	0.9
335.18643	1.2
377.19751	0.7
403.17657	0.8
421.18506	1.5
421.31146	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	421.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94886	0.4
52.22376	0.4
52.69833	0.3
53.03959	2.0
55.01876	0.7
55.05503	2.2
57.07077	0.5
59.05020	0.5
65.03933	0.7
67.05505	4.3
68.99794	0.6
69.03436	5.9
69.07082	1.8
69.45863	2.8
69.46268	0.9
71.01385	0.4
71.04996	1.0
77.03935	0.4
79.05499	7.1
81.03420	2.8
81.07063	6.0
83.04991	2.4
83.08625	0.9
85.02912	1.6
87.00844	2.0
91.05489	7.5
93.07047	4.6
95.04980	1.6
95.08622	2.5
97.02909	2.5
97.06561	0.6
99.04459	1.0
104.14323	0.4
105.07040	10.8
107.04955	5.0
107.08607	22.5
109.02882	4.3
109.06525	2.2
109.10173	7.5
111.04405	0.5
115.05484	1.8
117.07002	2.5
119.04956	0.5
119.06056	0.5
119.08566	5.0
121.06517	2.1
121.10159	12.5
122.07310	8.0
123.08094	2.0
127.03929	13.7
129.06989	0.8
131.08582	3.9
133.10139	100.0
134.10500	1.8
135.08066	8.3
135.11714	1.7
137.09625	58.2
142.07840	0.4
143.08615	1.2
145.04961	0.9
145.10094	1.8
147.11711	2.6
149.09645	2.8
149.12164	0.7
149.13271	7.5
155.08536	0.6
157.10168	0.9
158.10931	2.1
159.11713	0.9
161.09621	0.5
163.14845	2.2
169.05002	0.5
169.10101	0.4
170.11000	0.6
171.11658	0.5
173.09503	0.5
173.13281	6.3
179.07123	0.5
183.11749	0.5
185.13188	0.9
189.12764	0.7
191.14317	42.8
192.14691	1.0
199.14850	0.9
201.12814	0.6
203.14249	0.5
213.03957	3.5
231.04926	1.6
253.16066	0.5
299.16327	0.7
317.17450	1.3
335.18451	1.2
368.94342	0.4
403.17352	1.1
421.18558	1.2
421.30804	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	421.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44949	0.4
53.03947	1.7
55.05510	2.1
57.03445	0.5
57.07055	0.5
65.03948	0.6
67.05497	3.9
68.99792	0.9
69.03427	6.5
69.07074	2.1
69.43473	0.9
69.43880	2.1
70.04366	0.4
71.04980	0.5
77.03950	0.4
79.05492	6.0
81.03425	3.2
81.07062	6.3
83.04539	0.4
83.04983	2.8
83.08593	0.4
85.02916	1.2
87.00831	3.0
91.05482	7.2
93.06089	0.4
93.07053	3.8
95.04961	1.3
95.08590	1.7
97.02885	3.4
97.06509	0.5
99.04483	0.7
103.05472	0.6
105.07036	7.9
107.04959	4.7
107.08598	23.3
109.02887	4.0
109.06525	1.8
109.10155	6.4
111.23160	0.4
113.67008	0.4
115.05452	2.0
117.07031	2.3
118.07799	0.9
119.06061	0.6
119.08588	3.4
121.06499	1.8
121.10149	12.5
122.07291	7.8
123.08073	1.5
127.03925	13.6
131.08572	3.2
133.10135	100.0
134.10432	1.8
135.08044	8.0
135.11691	1.3
137.09621	60.0
138.09979	0.9
143.08551	1.0
145.04967	1.1
145.10126	0.9
147.11674	2.1
149.09641	2.6
149.13255	8.8
150.13564	0.4
156.09286	0.4
158.10872	1.4
159.08002	0.5
163.14822	1.4
171.03029	0.5
171.11662	0.5
173.13290	6.2
175.07820	0.5
179.07047	0.4
181.08614	0.4
189.12807	0.5
191.14316	45.3
192.14642	1.0
213.03947	3.7
231.05002	1.7
258.48001	0.4
275.01260	0.4
281.15598	0.4
299.16367	0.7
317.17432	1.2
335.18414	1.3
403.17499	1.1
421.18488	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	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06090	11.6
69.03429	12.4
70.06602	14.2
71.58881	5.7
72.08169	6.7
79.05453	3.9
81.03430	4.8
85.02906	21.1
86.09686	6.1
87.00846	6.8
89.03935	4.4
97.02899	9.8
105.01839	4.4
107.04967	40.5
109.02901	6.4
127.03933	18.5
128.07097	5.3
130.04968	5.2
135.04419	17.6
137.05959	9.6
145.02850	12.4
145.05038	5.0
163.03922	100.0
165.09152	8.0
169.03221	8.9
177.03333	4.6
181.05011	5.7
184.05508	4.5
205.12254	4.8
209.08151	14.9
223.13271	12.2
227.09192	4.4
234.99164	4.9
258.17014	5.3
272.32840	4.5
348.30112	4.5
421.10922	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	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05530	1.0
57.07061	1.9
59.66615	0.6
62.63874	0.7
67.05511	4.4
69.03430	3.5
69.07075	4.3
70.49335	1.7
70.49718	1.2
71.05008	1.0
73.02942	0.7
79.05499	8.5
81.03418	2.7
81.07060	100.0
82.07405	0.9
85.02908	7.4
87.00820	3.6
87.67075	0.6
91.05474	0.9
93.07047	1.7
95.08613	21.3
96.08928	0.8
97.02892	6.3
99.04462	1.0
101.67337	0.8
105.01860	5.9
105.07025	1.8
107.04993	0.8
107.08576	1.4
109.02911	3.1
109.10172	2.1
119.08620	1.7
121.10158	0.9
127.03917	8.8
133.10150	1.0
137.13260	19.3
145.04968	5.7
159.02893	1.1
173.13229	0.7
231.04933	3.1
249.06221	1.7
274.95602	0.7
298.03918	0.6
315.75665	0.7
346.52866	0.8
359.12045	0.8
387.70807	0.7
420.29947	1.2
421.31104	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04160	3.0
57.11674	2.8
67.05498	7.1
69.03436	4.5
69.07070	7.4
71.59084	5.3
79.05498	9.0
81.03403	4.4
81.06581	5.1
81.07061	100.0
85.02892	8.9
87.00747	3.4
91.05445	4.1
93.07004	3.5
95.08607	18.9
97.02861	6.0
102.26453	2.6
105.01872	4.6
105.07063	4.4
107.08577	3.0
109.02919	3.3
111.18230	2.8
115.73515	3.1
127.03925	8.9
133.10100	3.1
137.13245	21.9
145.04953	7.1
180.08940	3.3
192.59525	2.9
231.05005	6.4
232.68999	3.4
334.44736	3.1
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	420.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
67.05507	2.8
68.20376	2.1
68.62714	2.0
69.03410	3.6
69.48118	8.7
69.48553	8.6
70.06600	2.8
71.04977	2.1
71.63972	2.3
77.96197	2.3
79.05502	5.2
80.89345	1.9
81.03419	19.7
81.07035	2.1
83.04978	2.2
85.02905	2.7
85.06541	2.5
91.05495	15.0
93.07054	7.6
95.08591	2.7
97.02887	7.8
105.07020	3.5
107.04902	2.2
107.08578	8.5
109.02853	9.5
115.05445	2.4
117.07024	100.0
119.08578	10.0
121.06516	6.9
121.10149	2.3
123.55836	2.1
127.03922	6.4
128.62878	2.0
131.08604	11.7
135.08093	14.2
143.61623	2.1
149.09671	13.6
159.08089	10.6
161.06035	3.3
163.07550	28.8
177.09122	25.5
195.10210	21.2
205.08620	10.8
209.11732	3.2
223.09685	22.6
224.13565	2.2
227.12782	3.6
241.10732	37.5
349.12897	5.0
367.13943	12.4
374.41885	2.4
385.15024	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	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
56.20996	2.0
57.03428	2.4
58.81870	2.2
69.03436	14.9
75.52361	2.4
78.03453	11.7
81.03410	15.8
85.02916	8.3
96.04485	5.9
97.02895	8.1
98.97596	2.8
99.04477	2.9
106.02923	47.7
107.76253	2.1
109.02888	6.4
110.66822	2.1
124.03967	100.0
127.03947	7.5
135.32886	2.2
163.03851	2.0
213.45314	2.4
219.01726	3.6
232.06044	3.1
237.02904	3.0
250.07152	16.4
258.07373	3.2
268.08203	68.4
321.08475	3.6
344.68652	2.3
420.12408	46.4
421.10803	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	420.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.6
57.62355	1.9
59.16537	1.6
65.42653	1.8
65.89183	1.6
65.93079	1.9
69.03405	5.4
70.06593	5.0
71.58419	2.6
79.05493	2.0
81.03388	4.2
83.04954	2.3
84.04440	2.3
85.02933	8.9
86.09715	1.9
97.02901	2.5
105.42234	2.0
107.04966	100.0
108.92168	2.0
112.98706	1.7
127.03940	14.3
137.05991	16.4
138.09122	2.0
141.01868	2.7
147.04460	2.9
153.05540	4.6
163.11115	2.6
181.05025	2.7
205.12273	6.4
209.08110	40.8
223.09612	2.0
223.13280	4.9
227.09148	14.3
353.39233	1.8
372.19797	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	420.127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82591	1.1
56.96558	1.6
66.58755	1.1
69.66389	7.5
79.37674	1.1
91.60260	1.3
92.85609	1.1
98.97607	6.6
110.97536	1.4
116.98650	1.3
121.30447	1.1
126.88580	1.2
143.00130	1.4
152.98656	1.5
158.22495	1.2
161.01250	1.6
192.93077	1.2
219.01778	10.4
234.99222	1.2
235.86591	1.2
237.02792	11.5
303.07535	4.5
320.80582	1.4
321.08624	11.4
342.12723	1.1
420.12488	100.0
421.12692	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	419.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01852	1.9
55.05518	7.4
57.07069	1.3
65.03925	2.1
67.05505	12.7
69.03435	5.1
69.07063	7.3
71.04983	0.8
71.59190	0.9
71.59555	1.1
77.03922	1.3
79.05500	12.8
81.03410	3.9
81.07063	18.1
83.04964	3.0
83.08623	5.4
85.02885	3.7
86.09663	1.0
91.04958	1.5
91.05489	17.9
91.82214	0.8
93.07053	25.2
94.07381	1.4
95.05006	4.7
95.05465	0.9
95.08610	29.6
97.02889	2.1
97.06526	3.4
97.10162	1.2
97.78454	0.8
99.08103	20.4
103.05460	4.6
105.01861	1.4
105.07039	31.7
107.04959	1.0
107.08601	27.6
108.08932	2.3
109.02880	2.1
109.06518	5.0
109.10164	13.1
111.08090	28.9
115.03909	0.9
115.05449	1.7
116.06236	1.5
117.07037	6.7
119.08586	39.6
121.02869	1.9
121.06515	5.7
121.08279	0.8
121.10142	15.1
123.08051	7.4
123.11694	3.3
125.09654	2.1
127.03926	8.3
128.06232	5.0
129.07013	7.3
130.07790	2.8
131.04945	8.2
131.08575	31.3
133.06477	1.9
133.10143	23.0
135.08054	9.6
135.11682	9.2
136.11975	1.9
136.78883	1.0
137.09583	6.1
141.07010	4.2
142.07790	9.1
143.08566	19.3
144.09319	3.4
145.04904	1.3
145.06561	1.6
145.09035	1.7
145.10129	29.9
147.08003	5.0
147.11671	12.9
149.06015	1.1
149.09592	5.0
149.13242	2.6
151.11198	2.4
153.07002	2.3
154.07689	1.5
155.08568	10.2
156.09343	7.9
157.10133	21.5
158.10851	2.8
159.08041	3.5
159.11700	25.3
161.09604	6.4
161.13251	9.7
163.11212	3.7
163.14868	1.1
165.07007	2.2
165.12737	2.1
167.08556	4.3
168.09293	4.2
169.10130	15.8
170.10924	7.8
171.08093	1.3
171.11688	19.8
172.07584	2.8
172.12444	1.4
173.07877	2.5
173.09598	5.6
173.13268	27.3
175.11209	4.4
175.14813	5.4
177.12735	2.7
179.08565	3.1
180.09290	1.5
181.10095	8.1
182.10889	5.1
183.11703	23.1
184.12422	1.5
185.09636	2.9
185.13266	35.6
186.14001	0.9
187.11214	5.8
187.14844	8.5
189.12738	5.7
189.16367	1.4
191.14249	1.6
192.09358	1.4
193.10176	4.1
194.10898	2.4
195.11729	8.9
196.12491	3.6
197.09575	1.4
197.13271	13.9
198.13966	1.5
199.11243	5.2
199.14845	12.7
201.12737	8.5
201.16393	4.5
203.14334	14.1
203.17757	0.9
205.10046	1.7
206.10884	1.4
207.11676	6.3
208.12531	1.9
209.13269	10.9
210.13992	1.4
211.11310	0.9
211.14827	15.9
212.15390	1.0
213.12735	2.5
213.16403	5.7
215.14308	8.2
217.10020	1.8
217.15916	3.4
218.10336	1.0
219.11703	2.6
219.13774	1.6
220.12456	1.9
221.13223	4.6
222.13925	1.7
223.11176	1.3
223.14877	6.5
224.15535	1.9
225.12811	1.0
225.16409	6.9
227.14345	4.7
227.17935	2.0
229.15894	9.7
231.11668	1.7
231.17461	1.4
232.12445	1.3
233.13243	3.9
234.13966	1.5
235.11172	1.0
235.14928	4.7
236.15508	1.6
237.12659	1.9
237.16451	5.3
239.17924	4.4
241.15926	2.8
243.11765	1.1
243.17465	2.0
245.13284	1.6
246.13878	1.9
247.14841	2.8
247.17047	1.2
248.15533	1.8
249.16464	7.0
251.18016	5.9
253.15765	2.2
253.19424	1.3
255.17448	1.5
257.13095	1.0
257.19061	1.9
258.14023	1.3
259.14883	2.2
260.11179	1.9
261.16483	3.2
263.17975	7.6
265.15823	1.9
265.19482	2.7
267.17465	3.9
267.20825	1.0
269.18991	3.0
271.14908	1.2
273.16422	2.5
274.16949	1.2
274.98907	1.0
275.17880	2.4
275.20422	1.6
277.15967	1.0
277.19669	2.2
279.17477	0.9
279.20905	0.9
281.19009	3.5
283.20480	1.5
287.17850	1.3
289.19492	1.6
293.18918	2.5
295.20609	1.2
301.19385	2.3
303.21066	1.7
305.19016	1.6
307.20535	2.4
309.11612	1.0
309.22131	2.6
315.21011	2.5
317.22635	2.1
321.21893	2.0
329.22519	1.8
331.20572	2.6
332.21390	1.0
333.22104	4.3
335.23706	3.8
345.22110	2.5
347.23743	3.1
349.21722	2.2
359.23529	1.3
359.27539	1.5
361.25198	2.6
363.23151	2.0
373.19519	2.6
383.27359	2.9
389.28323	5.2
391.29816	2.7
401.23236	1.3
401.28342	28.1
404.27136	2.4
419.29410	100.0
420.29871	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	419.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01868	1.7
55.05523	9.1
57.07069	2.7
67.05518	16.5
69.03423	2.9
69.07066	7.0
69.80368	7.6
71.04964	1.6
79.05495	12.7
81.03400	1.9
81.06650	1.6
81.07066	22.5
83.04973	3.2
83.08606	3.5
91.05482	20.0
93.07051	23.5
95.04954	4.1
95.08607	34.5
97.06525	3.0
97.10154	2.4
98.21398	2.2
99.08089	1.4
103.05476	1.8
105.07037	34.5
107.04951	1.9
107.08601	39.8
109.06518	5.8
109.09466	1.5
109.10159	20.9
111.08077	2.8
115.05494	1.9
116.06255	1.4
117.07040	7.7
119.07817	1.7
119.08594	33.6
121.06477	6.2
121.10147	17.1
123.08036	3.7
123.11700	8.5
125.09631	7.1
128.06180	4.0
129.06987	5.6
130.07822	1.4
131.04907	1.9
131.07724	1.7
131.08595	18.2
133.06451	2.1
133.10135	26.4
135.08069	6.6
135.11722	7.4
137.09644	2.9
141.06960	3.7
142.07817	6.0
143.08592	13.1
144.09279	2.0
145.06439	3.8
145.10139	23.8
147.08031	12.3
147.11732	12.2
149.09592	5.6
149.13260	5.8
151.11191	2.8
154.07724	2.5
155.08533	5.7
156.09326	5.9
157.06535	2.3
157.08951	1.8
157.10153	25.4
158.07220	2.0
158.10860	2.5
159.08116	10.6
159.11702	19.2
159.74213	1.3
161.09625	13.0
161.13255	7.8
163.11200	2.9
163.14833	2.3
167.08583	1.7
168.09273	2.0
169.06339	2.0
169.10117	8.3
170.10907	2.4
171.08064	6.9
171.11729	16.6
172.08813	2.3
173.09636	12.7
173.13277	15.2
175.11238	8.8
175.14792	5.9
177.12724	1.9
177.16316	1.8
179.08588	2.1
181.10132	3.7
182.10814	1.8
183.07944	2.2
183.11662	8.1
184.08871	12.1
185.09621	12.7
185.13300	9.5
186.10370	5.0
187.11235	11.4
187.14813	7.9
189.12737	5.7
189.16379	4.4
191.14297	2.3
193.10153	2.7
194.11078	1.4
195.08165	2.2
195.11674	3.6
196.08846	1.3
197.09682	8.5
197.13310	7.4
198.10371	6.4
199.11195	41.8
199.14742	6.7
200.11688	1.7
201.12758	50.3
201.16330	4.6
203.14330	21.2
203.17882	2.4
205.15875	3.3
207.11743	2.4
209.09570	2.7
209.13200	5.0
210.14003	1.7
211.11163	5.5
211.14850	5.9
212.11977	2.1
213.12796	14.0
213.16322	7.8
215.14346	15.1
215.17651	2.5
217.15930	3.3
219.11745	1.3
221.13266	2.7
223.11195	2.3
223.14767	4.4
225.12766	7.6
225.16396	2.6
227.14345	9.1
227.17812	2.2
229.15823	5.6
231.17412	3.0
235.14856	2.9
237.12663	3.1
237.16281	1.9
238.13524	1.3
239.14365	6.4
239.17918	1.9
241.15860	5.1
243.17398	2.7
245.13280	1.9
247.14870	1.9
249.16321	2.6
251.14377	2.1
251.17970	2.7
253.15872	5.1
253.19485	2.1
255.17322	6.1
257.18936	1.3
261.16257	1.4
265.15817	3.9
265.19370	1.6
267.17358	4.8
267.20773	1.3
269.19089	3.4
277.15744	1.3
277.19382	1.8
279.17453	3.0
279.21024	2.0
281.19016	3.5
289.19043	1.3
291.17426	1.9
291.20621	1.4
293.18924	3.7
295.20627	6.5
305.18985	1.4
307.20529	3.3
309.22052	3.8
319.20538	1.6
321.22025	1.3
333.22296	1.5
335.23587	2.1
345.22018	1.9
359.14514	1.4
359.23615	2.2
361.25241	2.2
363.22928	2.7
389.28360	2.0
391.29721	4.2
401.23419	2.3
401.28409	23.8
407.52457	1.2
419.29309	100.0
420.29788	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	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	11.2
55.05534	9.5
57.03450	8.5
61.02930	8.7
67.05509	12.4
69.03429	25.9
69.07067	9.6
69.52782	38.1
69.53197	17.3
70.06596	14.4
77.46904	6.9
79.05507	12.5
81.03412	20.5
81.07072	12.3
85.02913	58.0
87.00856	40.4
91.05480	22.1
93.07047	34.6
95.05006	14.7
95.08622	12.2
97.02881	37.0
99.04456	16.8
105.01899	53.5
105.07048	9.6
107.08607	54.6
109.02885	17.8
109.07624	35.3
127.03931	33.9
127.08704	100.0
131.04900	14.0
131.08592	11.5
135.11760	33.9
145.04977	13.3
160.47929	7.1
187.14574	7.5
260.22638	7.6
419.18195	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	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.8
55.01862	25.6
55.05506	21.5
57.03422	25.0
57.07082	93.7
61.02927	8.8
65.03938	8.5
65.90797	6.5
67.05499	21.0
68.99791	9.2
69.03433	43.5
69.07067	13.1
70.06592	32.8
70.94963	12.0
71.04964	9.3
73.02903	10.9
79.05478	20.8
81.03425	48.3
81.07059	72.6
83.04963	16.9
85.02908	100.0
85.06535	29.6
86.18295	7.4
87.00829	32.8
87.40813	6.8
91.05481	16.8
93.07028	24.4
95.04972	25.3
95.08599	27.4
95.75105	6.3
97.02898	53.3
97.06502	14.7
99.04442	14.1
99.08101	69.0
100.93903	6.2
103.05491	7.7
105.01850	19.9
105.07001	11.3
107.08590	30.1
109.02890	41.1
109.06512	21.9
109.10133	15.9
111.08088	19.0
119.08575	11.2
121.06506	14.6
121.10120	9.7
123.11675	7.6
127.03904	55.0
127.11172	11.6
129.01811	7.6
131.08578	19.5
135.04546	6.3
135.08051	19.5
137.05896	6.4
137.09558	18.8
140.70886	6.5
145.04959	29.0
149.09669	11.7
151.07533	9.9
151.11206	21.3
153.12743	61.4
155.14314	96.1
159.02869	17.0
165.12936	7.5
171.13799	11.8
177.12798	7.8
195.13805	16.9
199.93732	7.9
205.12210	9.0
207.13768	9.5
213.03845	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	419.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.0
53.64053	2.7
55.01871	9.5
55.05511	5.2
57.03432	7.3
57.07075	19.6
59.04995	10.5
60.13076	3.1
61.02901	2.8
61.50377	2.8
65.03970	3.4
67.05500	9.6
68.99828	3.2
69.03439	47.9
69.07075	14.3
70.06603	10.3
71.05004	8.3
71.17412	5.8
73.02930	7.3
79.05495	5.6
79.41729	3.2
81.03426	41.9
81.07054	7.4
83.08649	5.6
85.02913	68.7
85.06570	7.5
86.09718	10.6
87.00839	32.8
91.05524	7.3
93.07066	7.7
95.08619	58.4
97.02907	26.0
97.06540	6.7
97.35519	2.9
99.04471	15.9
99.08092	17.9
100.74596	2.8
105.01869	19.9
105.07063	3.5
107.08596	12.6
107.69060	2.9
109.02883	41.2
109.06546	8.7
109.10178	16.6
111.08122	9.2
113.09663	57.1
115.03967	3.7
117.01846	5.8
119.08655	3.6
120.38071	3.1
121.02876	43.2
127.03930	53.7
127.11230	8.0
129.01836	6.2
129.07082	3.8
133.06561	3.1
135.11673	17.1
137.13274	9.0
145.04973	20.2
147.02930	3.0
147.04393	4.5
153.12767	100.0
155.14314	27.0
159.02922	24.9
161.04517	5.3
161.06029	3.7
165.05501	6.1
171.13924	15.9
171.15105	2.9
173.09305	4.0
199.18008	2.9
207.13832	3.3
210.94286	3.4
231.05028	10.9
232.00800	3.0
287.05524	15.9
419.19189	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	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39579	5.1
53.03952	6.9
55.05514	6.3
57.03444	7.4
59.67760	6.1
67.05509	7.1
69.03427	11.3
70.06251	6.6
70.06599	87.3
70.84615	6.4
70.84963	11.5
71.05013	7.5
71.06921	14.7
72.08157	9.2
79.05493	13.3
79.95380	5.6
81.03435	11.2
81.07055	16.6
83.04989	12.7
84.08134	9.0
85.02906	20.2
85.36174	5.6
86.09734	9.2
87.00849	7.2
91.05467	15.7
95.04980	14.3
95.08625	8.0
97.02917	12.5
103.05484	15.4
105.07047	54.4
109.02856	9.6
112.07619	5.9
113.07951	5.6
115.05466	20.1
124.06018	5.2
127.03928	18.9
127.08701	7.8
131.04955	6.0
131.08589	5.4
133.06502	66.0
137.51193	4.9
145.02829	6.6
145.04991	6.2
149.06017	7.2
153.09032	6.8
153.12767	18.1
155.08287	7.2
161.06009	62.8
167.07060	32.1
168.07411	16.7
169.07597	12.8
171.13803	6.2
177.05508	21.4
178.07921	6.0
191.07057	12.5
193.08632	100.0
209.08122	11.9
325.10083	6.3
387.14529	7.6
389.14539	6.7
394.54816	6.5
417.89871	5.5
419.15613	18.3
419.20795	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	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93715	9.0
62.91135	11.8
69.03425	24.3
70.89363	22.1
81.03409	26.4
83.04965	9.4
85.02898	36.8
85.33181	9.4
91.05475	26.4
93.07062	19.5
95.08665	12.0
99.04396	10.8
105.07010	15.7
107.04947	24.3
107.08606	16.5
109.02905	15.4
119.08577	21.8
121.02885	13.1
127.03934	12.1
131.08585	11.2
135.11655	13.0
145.06514	20.8
145.10146	17.1
165.05359	10.2
167.07018	75.9
173.06004	17.5
173.13239	13.4
181.04893	12.9
205.08640	21.0
217.08516	15.2
248.62177	11.7
254.05884	14.2
269.08069	24.4
282.05182	10.2
315.08804	49.9
330.11014	100.0
333.22406	13.6
383.14667	16.2
419.29364	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	419.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52697	0.6
71.57782	1.1
76.91837	0.6
94.93018	14.5
98.97578	1.1
112.89614	8.4
114.89333	4.1
115.40697	0.6
120.94547	2.1
122.82334	0.6
136.94028	100.0
140.45476	0.6
143.01875	3.6
148.94031	31.6
150.95515	0.7
155.01909	0.7
161.02977	1.9
166.95085	52.3
173.03055	0.7
178.95085	4.3
190.95097	0.9
196.96149	16.8
196.97948	1.0
203.04123	3.1
208.96123	3.2
213.95245	0.7
219.23637	0.6
220.96106	1.3
238.97198	1.7
239.01729	1.6
256.98239	12.9
257.02750	1.4
263.06143	2.7
271.04544	0.7
284.83673	0.8
314.59763	0.8
343.01959	1.4
356.87500	0.6
419.03537	13.7
420.12592	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	419.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.6
55.05489	8.0
59.60950	7.3
67.05510	13.4
69.03419	15.7
69.07070	8.6
69.50206	54.6
70.06602	84.9
71.06924	15.5
71.82841	6.7
72.08160	14.6
79.05508	18.4
81.03412	9.4
81.07071	11.0
83.04991	11.2
85.02937	18.7
86.09702	9.9
91.05486	21.5
93.07077	10.9
95.04981	17.8
97.02926	12.1
98.20742	13.8
103.05482	15.9
105.07047	77.0
107.08577	12.5
109.02939	11.6
115.03975	8.4
115.05479	23.6
117.06998	9.6
118.04181	15.2
120.08134	10.4
121.02891	8.8
121.06480	8.2
121.10222	11.2
123.04448	10.7
123.08107	8.3
127.03931	17.2
127.08720	10.7
131.04909	10.3
133.06503	81.5
143.04852	6.8
143.05984	8.6
153.12801	14.4
161.05984	93.4
167.07083	40.7
168.07390	22.3
169.07597	12.7
177.05475	20.6
181.05045	11.1
189.12766	8.5
189.80295	7.8
191.07088	13.5
193.08623	100.0
193.10265	7.8
209.08029	7.8
306.14618	7.0
360.07385	7.4
419.15775	30.3
419.95682	7.4
426.86594	8.2
440.58563	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	418.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22452	1.0
57.39417	1.0
57.81022	1.1
60.04523	2.0
69.03426	3.6
69.99702	1.3
70.00042	4.7
70.06589	1.9
72.08162	1.7
73.53529	1.1
81.03406	2.8
84.08132	1.4
85.02914	7.9
86.09717	1.5
87.04448	1.4
89.06033	70.3
90.04957	1.1
97.02877	3.4
98.20870	1.1
106.02923	3.8
107.07063	2.4
109.02895	2.3
121.02854	1.6
124.03960	3.8
127.03920	4.4
130.05054	1.2
133.08606	39.0
145.04907	1.6
151.09663	2.6
177.11179	6.1
195.12285	3.0
239.14900	100.0
250.07159	1.9
256.02686	1.0
268.08188	2.3
337.73236	1.4
378.66730	1.0
418.16989	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	418.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
53.61893	1.6
54.40631	1.6
55.01874	2.4
55.05516	7.7
57.07080	3.2
57.27094	1.7
59.05008	3.7
67.05506	13.0
69.03430	4.5
69.07064	5.4
69.60665	11.7
71.04993	4.0
79.05493	18.2
81.07058	25.0
83.04994	6.1
83.08638	2.9
85.06566	2.0
91.05482	36.7
92.86986	2.0
93.02017	1.6
93.07053	46.5
95.04973	10.0
95.08605	15.2
95.34534	1.8
97.06534	2.0
103.05477	2.8
105.04506	1.9
105.07036	100.0
106.07842	2.9
107.04893	1.9
107.08606	29.2
109.06528	79.8
109.10169	15.2
111.08102	9.7
115.05469	3.6
116.06213	2.1
117.07023	18.1
119.08582	61.7
121.06527	5.9
121.10148	24.3
122.07294	6.8
123.08114	9.5
124.99936	1.8
125.09614	3.6
128.06227	9.1
129.07021	21.8
130.07788	6.6
131.08585	38.1
132.09395	4.3
133.06500	2.6
133.10136	31.6
135.08072	16.0
135.11687	11.0
137.09644	21.7
138.10341	2.0
141.07016	7.8
142.07806	19.2
143.08578	34.8
144.09349	13.7
145.10139	57.1
147.08084	14.9
147.11693	15.6
149.09641	7.6
149.13315	3.5
151.11240	6.7
153.07025	3.8
154.07797	2.6
155.08577	15.2
156.09383	14.9
157.10141	49.0
158.10916	4.1
159.08086	4.4
159.11696	23.3
160.08858	2.9
161.09592	10.3
161.13321	5.6
163.11192	2.8
165.07036	5.5
167.08604	6.5
168.09372	7.9
169.10152	21.0
170.10907	5.9
171.08090	2.0
171.11691	26.9
173.09642	5.4
173.13289	14.9
175.11208	9.1
175.14841	3.3
179.08592	8.6
180.09317	8.6
181.10133	13.9
182.10909	6.3
183.11710	23.7
184.12491	4.5
185.09628	4.0
185.13234	13.7
187.11227	5.7
187.14835	6.0
189.12767	3.3
192.09328	4.0
193.10120	13.0
194.10910	4.9
195.11729	25.7
196.12517	4.8
197.09642	3.1
197.13234	13.8
199.11261	6.3
199.14810	8.5
201.12733	5.5
201.16373	3.4
203.14450	2.3
205.10245	2.2
206.10965	5.9
207.11688	11.5
208.12567	5.5
209.13292	17.7
210.14096	2.3
211.14876	8.0
213.12769	6.4
213.16446	3.9
215.14386	2.9
219.11790	2.2
220.12564	2.1
221.13301	6.4
222.13995	2.8
223.14804	10.2
225.12840	3.5
225.16431	4.5
227.14326	3.8
231.11813	2.7
233.13283	3.0
235.14859	8.1
237.16437	13.3
238.17024	2.2
245.13425	2.4
247.14911	3.8
249.16490	3.9
253.15929	3.9
260.15945	1.9
261.16425	2.4
263.18100	2.3
265.15918	4.2
265.19461	2.1
273.16226	2.1
289.28754	2.0
295.20477	2.1
357.25598	3.6
375.26578	3.2
385.25485	3.4
418.17261	5.8
418.28635	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	418.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
56.70589	0.4
58.81916	0.4
63.94502	0.5
69.40154	3.5
70.06575	1.4
72.08168	0.6
79.05492	1.4
79.69285	0.4
81.07007	0.5
85.02966	0.5
86.09705	1.8
89.03396	0.8
89.03925	12.1
92.64307	0.4
95.04955	1.0
97.02888	0.4
98.20721	0.8
107.04974	3.1
109.05252	0.6
112.07616	0.5
117.02612	0.8
117.03392	12.5
120.04473	1.2
120.08134	0.8
121.02891	0.6
121.27103	0.4
122.06000	0.4
124.07582	0.4
127.03899	0.7
135.04427	27.1
136.07600	1.0
138.05479	1.0
145.02853	16.6
146.06064	0.8
148.03961	4.2
148.07523	0.7
152.07036	0.5
153.07855	3.5
154.08646	2.4
162.05460	0.7
162.74077	0.5
163.03917	100.0
164.04288	0.8
164.07085	1.1
166.08653	2.8
167.58075	0.4
168.07611	0.4
174.05502	1.1
175.06273	0.5
181.07356	1.0
182.08147	2.6
191.75423	0.4
192.02705	0.4
192.06566	4.9
193.07251	0.7
194.04491	0.4
194.08130	0.5
206.36023	0.4
207.06541	1.0
207.62764	0.4
210.07616	6.1
220.05974	0.9
224.55765	0.4
228.08716	3.4
238.07106	9.4
256.08182	52.4
257.08432	0.7
328.43369	0.4
418.11270	1.2
419.15195	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	418.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.2
58.25159	1.1
59.29247	0.9
62.08674	1.2
64.00618	1.1
66.19772	1.0
70.06596	1.7
70.14157	4.7
72.97682	1.1
79.05474	1.3
85.02908	1.9
97.02897	1.2
98.97581	1.5
103.05467	7.1
107.04963	1.9
120.08115	100.0
131.04941	2.6
147.65407	1.0
149.05981	2.0
166.08653	47.5
197.63220	1.1
227.06740	1.7
237.02789	1.5
282.85071	1.0
418.12183	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	417.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67871	0.9
53.03927	1.8
55.05502	2.8
56.05020	1.1
65.03936	4.6
67.05500	4.8
69.03438	2.4
69.07057	4.3
70.60932	2.9
74.99448	1.0
75.44855	1.2
78.04720	2.2
79.05502	9.2
81.07062	7.9
82.10088	1.2
83.04960	1.6
83.08614	1.1
84.08147	55.2
85.02888	3.5
91.05489	9.1
93.07056	7.6
95.04966	4.1
95.08604	8.0
97.02905	1.5
97.06532	2.3
103.05476	7.4
105.07043	12.1
107.04962	6.9
107.08618	7.9
109.02864	1.3
109.06519	1.2
109.10146	4.8
110.03668	1.5
115.05452	5.5
117.07006	11.7
118.04159	1.6
119.08587	22.0
121.06499	2.4
121.10165	3.7
123.04433	7.9
123.08066	1.4
123.11655	1.2
124.05207	3.1
125.05972	1.9
128.06232	2.3
129.07002	4.0
130.07768	1.9
130.08646	5.4
131.04947	6.1
131.08575	14.9
133.06482	2.9
133.10133	9.0
134.03603	1.0
135.08032	1.8
135.11705	2.1
137.05966	1.6
137.09647	1.2
141.07022	1.5
142.07756	3.2
143.08568	8.6
144.09341	1.6
145.06467	10.9
145.10135	26.9
147.08054	3.3
147.11598	4.7
148.05186	3.1
149.09610	1.4
149.89705	1.1
151.03893	2.0
152.04674	1.8
153.05496	1.2
155.06020	4.1
155.08557	3.8
156.09351	3.1
157.10127	9.8
158.10951	2.7
159.08070	5.5
159.11702	11.6
160.08858	1.3
161.05946	1.4
161.09663	3.3
161.13274	2.6
163.07549	4.0
165.59683	1.1
167.07060	100.0
168.07352	2.2
168.82059	1.2
169.10138	3.3
170.10878	2.0
171.06636	1.8
171.08067	4.0
171.11699	4.7
172.12492	1.7
173.05975	15.5
173.09645	3.9
173.13235	7.4
175.11205	2.4
175.14838	1.4
177.12799	1.4
179.08521	1.6
180.87842	1.0
181.04968	53.4
181.10143	3.0
182.05342	2.0
182.07227	2.4
182.10966	5.1
183.08054	1.6
183.11673	3.5
184.08905	4.1
185.09615	3.8
185.13304	8.0
187.11197	3.4
187.14842	49.5
188.07117	1.4
189.12778	3.2
191.07056	18.5
193.10167	1.4
195.06517	1.9
195.11668	2.2
196.08862	2.2
197.09633	14.8
197.13263	5.8
198.10422	2.4
199.11206	20.8
199.14828	2.6
201.12781	8.0
201.16357	1.9
203.14337	6.1
205.08611	3.4
207.11778	1.7
208.53441	1.1
209.09619	3.3
210.10367	1.3
211.11182	7.6
211.14786	1.9
213.12808	5.6
213.16417	1.6
215.14317	3.0
217.12265	1.6
217.15814	2.1
219.17499	1.8
223.11111	2.4
225.12808	2.8
227.14397	3.0
229.15787	1.4
231.13910	2.5
233.08069	8.1
235.09618	2.3
237.16432	1.7
253.15987	1.5
255.17587	1.5
265.16168	1.6
293.18964	1.9
303.17453	1.2
315.17325	2.0
318.27933	1.7
333.22141	1.3
336.28909	1.9
343.20459	1.3
353.84573	1.0
359.23969	1.5
381.13806	1.7
381.30960	7.2
387.14413	12.5
387.26740	3.0
399.14105	2.7
399.26825	6.3
399.32220	13.4
417.15625	23.0
417.27890	59.3
417.32956	2.1
418.28299	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	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.26000	0.4
53.03946	0.8
55.01868	0.9
55.05496	0.5
57.03436	1.0
65.03946	1.5
67.05508	1.4
67.37890	0.4
69.03436	1.3
69.07087	0.6
70.06593	0.7
70.38725	1.0
70.39075	0.8
78.04721	3.7
79.05500	1.9
81.03422	1.4
81.07056	1.9
81.31693	0.4
82.04189	0.4
83.05008	0.5
83.08636	0.7
85.02924	2.7
85.06548	0.6
86.09753	0.5
87.00819	0.9
91.05488	1.8
93.07046	0.4
95.04971	1.8
95.08631	0.7
97.02912	1.3
97.06564	0.9
98.19666	0.4
100.11276	1.4
103.05510	1.2
105.01862	0.4
106.04195	2.5
107.04957	2.9
107.08614	0.5
108.02081	0.4
109.02903	1.2
109.06515	1.4
109.10168	1.9
110.03653	0.9
111.04424	1.1
113.02364	0.4
115.05434	3.3
117.07036	6.0
119.08612	0.8
121.10130	0.5
123.04434	8.6
123.08080	0.5
123.11681	0.5
124.05226	2.7
125.02369	0.6
125.05983	0.7
127.03941	0.5
127.05474	0.8
129.06989	0.7
131.04967	0.5
137.02364	0.5
137.05989	0.6
139.11246	0.5
142.02591	0.5
144.05803	0.7
145.05325	0.8
145.06482	9.4
151.03908	1.9
151.11208	2.0
152.04692	2.6
153.12840	0.5
155.06039	2.7
159.02911	0.6
167.07048	100.0
168.07404	1.7
169.12234	3.1
171.06512	0.7
173.05992	15.8
175.07503	0.7
181.04967	20.6
182.15419	0.5
201.05418	0.8
205.08624	3.2
210.14861	1.1
233.08096	7.6
235.09657	3.8
297.85440	0.4
373.17984	0.6
381.89996	0.4
387.14407	15.0
399.24774	1.0
417.15430	29.4
418.15720	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	415.3572
Annotation	HMDB12169
Peak:m/z	Relative Intensity
53.03947	3.2
55.01860	3.4
55.05512	14.0
57.07083	14.5
67.05501	9.6
69.07085	19.3
71.08625	12.8
71.58973	2.6
79.05485	12.5
81.07070	31.4
83.04966	8.9
83.08618	9.9
85.10177	7.7
90.10458	2.7
91.05426	4.8
91.05853	4.2
93.07055	16.8
95.08606	34.6
97.06542	90.7
97.10151	12.7
105.07008	13.6
107.04953	9.0
107.08576	14.9
107.22690	3.6
109.06516	16.5
109.10143	18.3
111.11721	5.6
117.06988	3.8
119.08591	41.7
121.06537	29.3
121.10143	11.9
123.08073	5.8
123.11703	6.9
125.05985	8.7
125.09647	3.4
131.08577	6.9
133.10162	14.0
135.11687	9.4
137.13229	3.9
145.10123	9.4
147.08031	6.1
147.11670	8.1
149.09657	26.5
149.13292	4.7
157.10130	11.4
159.11720	17.8
161.09631	6.9
161.13245	6.0
163.11145	6.6
163.14867	4.2
169.10133	3.3
171.11722	7.8
173.13287	5.6
173.59537	2.6
175.11183	9.4
177.12761	41.9
185.13283	5.6
187.14835	3.4
203.14224	3.9
211.14912	3.3
213.16339	3.9
215.14413	6.8
217.15845	5.7
221.22614	6.9
225.16403	3.0
229.15854	4.5
239.17876	4.3
243.17430	3.7
253.19711	4.2
257.19025	11.4
265.25320	4.7
267.14804	3.0
271.20612	5.7
273.26056	3.2
310.31036	6.0
323.08508	3.1
344.97693	9.3
360.04251	3.2
379.33386	14.7
397.34695	76.8
415.35727	100.0
415.41345	5.0
416.36081	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	416.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68846	0.8
50.79893	0.8
52.05519	0.9
55.05507	1.5
55.21437	0.7
56.05005	1.0
62.53049	0.8
69.03435	2.0
69.06791	0.7
69.07084	8.0
69.66785	3.0
69.67213	2.6
70.02940	2.2
70.06602	5.5
71.06097	2.2
72.08160	6.5
79.05499	1.2
81.03408	2.0
81.07063	1.3
81.55163	0.8
84.04515	0.8
84.08144	1.5
85.02896	2.7
86.06065	3.3
86.09709	100.0
87.05598	12.4
88.03984	2.2
96.04482	3.6
97.02915	1.7
98.02425	7.8
99.05583	15.6
106.02930	0.9
109.02869	1.5
111.04497	1.0
112.11242	1.3
113.07137	13.4
115.05056	4.6
117.07053	0.9
118.08627	1.6
121.02867	6.1
124.03963	8.3
124.05206	1.6
125.57690	0.8
127.03860	0.9
133.02872	1.0
137.05960	1.5
139.03882	1.4
141.06590	19.5
156.55768	0.9
157.13307	3.9
158.09265	41.6
165.04123	1.5
167.11787	2.3
169.06128	1.5
185.12810	2.0
186.08749	36.6
194.12846	3.2
210.07590	0.8
231.17073	15.6
236.14000	0.9
237.12337	2.4
238.07030	1.4
240.13412	7.9
254.08653	1.0
254.15016	2.4
264.13251	1.0
268.08243	1.4
271.17651	2.7
281.16101	4.3
282.14499	5.5
299.17169	33.9
398.23904	1.3
416.15109	1.0
416.21109	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	415.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88517	2.3
53.03953	14.2
55.01878	5.6
55.05503	8.5
57.03437	4.9
62.38900	2.5
64.10256	2.0
65.03924	2.3
67.05522	13.7
69.03436	30.2
69.07067	10.7
71.05000	13.4
71.60192	3.6
71.62431	2.7
79.05495	17.5
81.02980	3.9
81.03426	55.0
81.07063	30.2
83.04990	12.8
83.08632	4.1
85.02909	27.0
85.06551	5.7
87.00826	3.1
91.05482	17.5
93.07057	29.6
95.04981	14.1
95.08585	19.3
97.02894	8.4
97.06537	11.4
99.04460	21.7
105.01909	3.1
105.07030	38.0
107.04959	4.6
107.08596	25.4
109.02889	37.4
109.06512	11.0
109.10173	10.9
111.08092	12.1
113.05967	2.7
114.74667	2.3
117.07008	4.3
119.08583	15.1
121.06503	17.0
121.10147	7.2
123.02637	2.4
123.04454	3.0
123.08070	4.9
123.11710	6.3
125.05167	2.1
125.05975	12.8
127.03926	100.0
127.07497	2.9
129.06993	4.6
131.08585	5.6
133.10144	21.1
135.04446	3.0
135.08063	6.9
137.05988	2.7
139.07561	7.1
142.07732	2.9
143.07028	6.5
143.08580	2.9
145.04993	4.0
145.06467	2.7
145.10114	7.0
147.08070	4.2
147.11696	25.7
149.13258	8.9
151.11153	3.9
153.30531	2.3
155.08516	2.6
156.09537	2.6
157.10161	6.7
159.11678	3.4
161.09724	3.1
161.13313	4.9
165.12787	13.8
167.07085	4.2
167.14313	3.6
169.12234	13.5
171.11736	8.4
173.09631	4.3
173.13324	3.2
175.11215	15.5
175.14912	2.8
181.04916	6.4
187.06030	35.8
189.12726	7.2
193.12245	17.4
199.11209	7.3
207.13870	3.3
211.13341	12.1
217.12271	22.3
229.14380	3.8
232.25410	2.6
235.13280	16.4
245.58243	2.6
253.14264	12.6
311.19516	2.7
329.12717	2.8
337.16553	2.5
347.13815	4.0
353.08231	3.2
361.16068	3.0
379.17795	2.7
385.45715	2.6
397.18384	3.9
415.14487	3.8
415.19846	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	415.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.3
55.01879	5.2
55.05504	3.3
56.98762	2.0
59.04998	3.0
59.26503	2.2
61.02913	6.1
65.03902	2.3
67.05499	9.4
68.99781	4.5
69.03426	16.2
69.07069	2.6
70.06598	3.3
70.51944	4.6
72.25404	2.2
78.07701	2.0
79.05498	26.0
81.03418	15.8
81.07058	28.3
83.04969	7.7
85.02902	9.7
86.09731	2.4
87.00827	6.3
91.05478	30.3
93.07047	73.9
95.04968	9.2
95.08608	15.8
97.02895	21.3
97.06532	4.6
99.04447	2.9
103.05454	4.8
105.01921	2.7
105.07037	23.6
107.04950	4.2
107.08604	26.6
109.02863	14.3
109.06519	15.8
109.10166	8.1
111.04444	3.1
111.08127	3.6
115.05458	2.9
117.06991	2.6
119.08585	8.2
121.06506	9.2
121.10150	100.0
123.11700	7.0
125.02357	2.6
125.05985	6.9
125.09608	2.7
127.03908	17.5
129.01819	6.9
129.88107	2.3
131.08582	15.8
133.06554	4.3
133.07585	2.2
137.05997	3.2
139.11168	5.5
145.10124	3.0
147.02841	3.9
147.04460	3.6
147.08006	4.8
149.09625	37.3
161.06065	2.6
161.09677	2.7
163.03885	2.9
163.07480	3.6
167.07150	3.8
167.10718	11.9
175.03792	2.9
177.12746	2.5
179.03433	3.2
181.04906	4.4
189.09081	2.9
191.07066	4.2
211.11162	3.5
213.04071	3.6
219.06512	3.8
229.12239	3.7
233.11592	3.1
239.10686	2.3
247.04453	2.4
257.11707	6.4
275.12683	2.8
285.38242	2.2
291.21524	2.3
299.12640	2.2
371.16809	8.1
384.59262	2.2
415.15717	29.9
428.92017	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	415.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16778	1.4
56.26530	1.2
60.04506	1.0
63.41816	1.1
65.03918	2.2
67.05514	2.5
69.03434	3.3
69.07085	1.3
69.70675	5.9
70.06586	5.4
72.08149	4.2
79.05492	5.4
81.03416	2.5
81.07063	1.8
85.02909	4.2
86.09721	9.5
90.08177	1.2
95.05009	1.5
95.08617	1.8
97.02891	1.2
99.04455	1.9
101.25906	1.2
103.52358	1.2
105.01883	1.8
107.04948	8.9
109.06569	1.5
109.10194	1.3
111.04428	1.7
116.04981	2.8
116.07050	1.3
117.07063	1.9
117.86461	1.2
119.01943	2.4
119.08547	1.6
123.04535	1.3
124.05232	2.6
124.07582	1.7
125.02370	2.2
125.09634	1.3
127.03949	2.0
133.10124	2.2
149.09622	2.7
151.07628	1.5
157.03424	1.6
167.07062	15.5
167.10507	3.5
181.04948	6.7
195.06519	2.4
201.05513	1.9
227.05333	2.0
233.08098	3.0
241.15163	1.5
242.03656	1.2
243.04759	6.0
271.04379	1.5
287.03708	21.9
329.15558	3.8
337.07425	1.6
371.16742	23.8
387.14389	5.2
415.15747	100.0
415.22775	3.1
416.15884	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	415.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.1
53.67922	1.0
55.01871	3.5
55.05500	4.9
57.03443	1.4
58.42036	1.1
59.05005	2.3
61.02915	3.1
65.03944	2.2
67.05518	6.5
68.99783	3.8
69.03438	13.9
69.07074	3.4
71.04983	2.3
71.59127	2.0
72.08160	1.5
79.05052	2.0
79.05495	28.3
79.05956	1.8
81.03426	11.8
81.07060	25.0
83.05002	10.9
85.02897	8.4
85.06541	1.6
86.09681	1.7
87.00826	8.0
89.03921	2.9
91.05474	15.7
93.06467	2.3
93.07043	42.2
94.88020	1.1
95.04455	1.4
95.04943	7.3
95.08050	1.3
95.08605	14.2
97.02895	20.9
97.06525	5.2
99.04414	2.0
99.81194	1.1
100.92543	1.1
103.05458	1.3
105.01846	3.7
105.07039	17.0
107.04951	8.9
107.08591	24.0
109.02876	20.4
109.06523	9.7
109.10165	2.4
110.49741	1.2
111.04456	2.3
111.08036	1.3
115.05424	2.8
116.04952	2.7
117.07014	4.8
119.08584	8.6
120.18568	1.2
121.06544	7.0
121.10149	100.0
123.08084	8.0
123.11724	8.1
125.02370	1.5
125.05976	9.4
125.09618	3.1
127.03932	14.9
128.06274	1.6
128.66643	1.3
129.01836	4.3
131.08559	5.4
133.10115	2.6
135.04405	3.7
135.08046	2.6
135.11638	1.6
137.09569	1.3
139.11147	4.1
143.03430	2.6
145.02840	2.6
145.04929	1.7
145.06453	2.6
145.10075	2.2
147.02924	2.7
147.08038	3.1
149.06017	1.5
149.09622	24.2
151.03882	2.2
151.07550	2.0
151.11237	2.6
157.10089	1.8
159.02898	1.3
161.05994	1.6
161.09633	3.0
163.03923	11.4
163.07576	6.9
165.09103	1.6
167.07147	5.5
167.10670	7.9
171.08066	2.3
173.09813	1.7
175.07553	1.6
175.65422	1.2
177.05522	1.6
181.05019	6.6
181.06374	1.3
185.09683	1.3
189.12721	1.2
191.07034	8.8
195.04962	1.3
195.06558	11.8
201.12703	1.5
205.12241	2.2
213.03978	2.3
215.10669	1.6
219.06395	2.3
229.03362	1.7
229.12320	2.1
231.04959	2.4
234.96870	7.3
247.04434	3.1
252.97963	9.5
257.11761	2.8
275.12698	1.4
293.50198	1.3
306.58145	1.1
315.98193	1.3
350.99377	2.6
353.00714	3.1
369.00488	4.2
371.16608	1.9
378.98709	1.5
397.14941	1.8
415.15546	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	414.9539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	35.1
63.48402	8.3
64.58665	7.2
65.60001	8.6
69.58878	57.1
69.59209	13.7
74.93157	10.9
95.77717	7.8
97.02895	9.9
97.35224	8.4
98.97584	100.0
103.40251	8.8
110.97591	27.2
116.98637	64.9
128.98602	28.8
134.99666	28.1
146.99643	15.9
172.94304	10.8
190.91026	9.8
203.34145	9.8
208.92017	10.4
232.96568	12.0
244.89676	13.9
246.89581	11.8
249.03020	15.2
249.53117	22.6
250.02817	22.3
255.04045	9.7
256.96356	16.8
262.90710	10.3
267.01883	10.1
274.97623	40.7
292.98541	21.3
295.30072	10.9
319.01559	12.5
364.93689	10.6
384.56839	11.5
394.07330	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	415.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	52.3
63.17301	1.8
68.27963	1.7
69.03414	2.6
70.13548	6.7
71.95253	3.3
84.96043	19.7
85.02899	6.0
86.55069	1.9
97.02913	2.6
97.96741	1.6
98.97588	85.2
99.77289	1.6
102.97054	4.0
107.04955	2.3
110.97576	22.5
112.99146	5.9
116.98625	48.6
118.27269	1.8
121.06530	2.0
128.98618	22.8
130.08638	1.7
131.00172	6.9
134.99661	15.2
136.06223	3.9
140.00117	1.6
140.98662	2.0
143.00125	11.6
144.98083	5.2
146.99680	14.5
149.01239	3.7
152.98592	9.0
156.03368	4.0
158.99644	14.1
161.01225	25.2
161.67355	1.7
162.99176	2.7
167.00166	5.5
170.99641	13.8
174.04388	5.1
175.55281	1.7
177.00749	13.9
179.02267	6.0
180.98041	3.1
185.01202	10.3
186.04326	12.9
189.00725	7.1
192.98108	2.9
194.99562	2.4
197.01344	1.9
198.99109	4.5
201.00714	10.7
203.02280	7.1
204.05431	10.1
205.51134	1.7
207.02010	1.8
210.99167	9.8
213.00745	9.7
219.01790	41.9
219.03911	2.6
227.02249	2.2
229.00220	55.8
229.02417	3.4
234.99063	2.4
237.02835	57.2
239.02345	2.2
242.03395	1.9
243.01938	2.3
247.01222	16.3
253.00182	7.8
255.04062	2.5
263.02429	2.3
267.01642	2.1
271.01221	11.9
272.06339	2.4
274.97382	3.1
283.56659	1.8
286.06027	3.0
288.99902	2.5
293.87769	1.6
295.01266	4.1
297.02927	4.8
307.01193	4.2
313.02530	4.7
337.02399	8.1
355.03342	50.2
373.04419	100.0
374.04639	2.3
378.05197	2.6
387.06186	2.0
391.05469	8.9
396.05994	4.3
415.04990	8.9
415.10153	3.1
432.48840	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	414.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	16.4
54.59959	6.9
55.01855	12.1
55.05504	24.0
57.03439	7.8
60.13824	5.6
61.02932	11.9
65.00555	5.1
67.05505	8.9
69.03431	51.1
69.07077	9.6
69.32312	26.2
69.32747	27.9
71.04984	13.1
73.02924	8.5
81.03413	36.7
81.07061	13.6
81.35210	5.1
82.06573	7.0
83.04976	14.0
83.08612	14.5
85.02912	100.0
87.00842	48.5
87.60989	5.4
88.36871	7.0
93.07027	15.0
95.04972	11.3
95.08637	5.8
96.05313	8.4
97.02899	72.6
97.06530	12.4
98.06809	6.4
99.04449	22.2
100.07629	7.8
100.11275	61.6
100.11894	8.6
100.77200	5.5
101.11579	14.9
105.01853	57.0
105.07038	24.9
106.07349	13.8
107.08567	8.1
108.04480	7.6
108.08949	7.3
109.02892	44.0
109.06493	7.1
111.04465	15.9
112.04823	6.5
115.07714	5.1
116.96094	5.5
117.01855	8.1
118.94364	5.7
121.06459	7.5
121.10192	6.2
125.05979	13.3
126.06432	6.3
127.03925	97.3
128.07062	10.5
131.04964	30.5
133.10083	6.2
137.06000	12.3
145.04970	43.8
145.10139	16.1
146.10468	20.8
148.64838	6.5
155.61430	7.2
159.02907	17.3
159.11565	6.1
160.44447	5.7
164.11447	8.5
173.09494	7.5
174.09895	7.3
182.15453	32.9
182.16800	6.5
183.15781	7.2
187.11212	8.6
188.11539	22.7
190.11250	6.3
192.11006	7.8
205.12267	9.5
206.12581	15.7
209.16548	8.2
210.11975	8.2
210.14873	31.0
211.15211	12.7
215.10724	10.0
216.10977	17.1
231.05023	12.2
233.11769	10.9
234.11952	6.7
252.13171	9.4
268.21619	9.8
268.71671	6.6
332.24680	14.5
436.33249	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	413.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.1
55.01870	5.3
55.05510	8.6
57.03431	4.4
61.02930	2.4
65.03939	4.7
67.05505	12.6
68.14205	2.0
68.25254	1.6
69.03079	2.1
69.03438	35.3
69.07072	21.2
70.12465	8.0
71.04992	11.4
73.06564	1.9
79.05493	26.6
81.03420	47.2
81.07064	24.0
83.04986	46.6
85.02903	17.0
85.06530	4.2
91.05484	24.2
93.07049	27.8
95.04980	18.2
95.08614	7.1
97.02934	13.0
97.06538	41.9
98.20860	2.3
99.04457	19.2
101.06025	3.0
105.07038	74.2
107.04978	6.5
107.08594	26.0
109.02885	15.3
109.06531	19.0
111.04472	2.8
113.06023	2.9
115.05475	4.2
117.07034	11.5
119.04944	7.4
119.08588	13.6
121.06529	34.7
121.10145	7.9
123.08080	3.4
125.05997	58.2
127.03947	10.4
127.07579	5.0
128.06245	4.5
129.07007	6.2
130.07773	4.9
131.04941	2.0
131.08588	22.2
133.06543	8.8
133.10150	11.3
135.04457	2.6
135.08076	5.8
135.11725	4.7
137.05960	10.4
139.07504	3.0
141.07018	2.5
143.07036	23.4
143.08502	8.6
144.09340	4.7
145.04895	2.5
145.06464	12.7
145.10133	100.0
147.08066	5.8
147.11696	8.6
149.05974	2.4
149.09607	3.0
151.07552	12.9
154.07762	3.5
155.08589	6.6
156.09236	2.5
157.10133	6.9
158.07257	10.6
159.08070	9.8
159.11699	32.6
161.09659	4.5
161.13216	3.2
163.03841	1.9
163.07571	4.3
163.11183	24.5
169.10103	11.0
171.08054	3.0
172.08836	4.3
173.09634	56.9
177.12756	6.5
187.09483	3.6
187.11194	66.3
189.09109	2.4
189.12701	4.2
191.10683	30.5
197.09624	7.9
199.06071	3.7
205.12250	48.3
209.11786	14.9
213.09187	3.1
215.10703	49.5
221.11852	2.2
223.13359	2.9
233.11717	34.5
251.12738	13.1
279.12250	2.8
335.14737	2.2
377.15704	3.1
395.16977	12.0
413.18060	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	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05033	0.8
60.49811	0.6
71.03896	1.0
71.04233	1.0
72.66743	0.5
74.06078	2.1
102.05562	1.5
116.84531	0.6
119.03510	2.8
120.06591	7.9
136.06192	100.0
137.04555	1.5
162.04123	63.6
216.10379	0.6
235.18970	0.7
268.10486	1.3
281.09943	47.9
294.08209	0.7
394.23965	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	413.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.3
55.01877	6.2
55.05505	8.5
57.03428	6.3
65.03931	4.0
67.05222	2.5
67.05510	28.9
69.03436	25.9
69.07075	21.2
70.06591	6.5
71.04990	13.9
71.59399	2.2
73.02920	3.1
73.06557	3.5
79.05499	34.4
81.03427	34.0
81.07066	56.6
83.04986	47.2
83.08589	3.1
84.08144	10.1
84.84666	2.4
85.02907	22.9
85.06530	7.6
86.09698	4.4
91.05492	26.4
93.07063	33.8
95.04987	43.5
95.08585	9.7
97.02895	12.3
97.06542	44.1
99.04465	21.4
103.05475	3.1
105.07043	77.2
107.04932	8.4
107.08614	28.3
109.02877	14.7
109.06530	44.0
111.04424	8.4
111.08080	6.4
113.06020	5.8
115.05437	3.3
117.07011	17.2
119.04959	9.1
119.08607	21.0
121.06527	34.1
121.10155	14.8
123.04429	10.4
123.08043	3.8
125.06004	61.3
127.03922	12.9
127.07571	6.7
128.06178	5.5
129.07004	7.7
130.07834	6.6
131.04976	3.3
131.08583	29.8
133.06506	14.4
133.10065	5.1
135.04361	4.2
135.08083	7.6
135.11691	11.9
136.07594	4.5
137.05978	29.6
139.07574	4.1
141.07034	5.5
143.07050	23.6
143.08565	14.8
144.09331	9.2
145.06503	13.5
145.10141	100.0
147.04382	3.3
147.08055	10.7
147.11679	6.4
149.06052	5.0
149.09607	5.3
151.07510	10.5
155.08624	5.8
157.10039	5.2
158.07291	9.0
159.08076	11.9
159.11713	41.5
161.09604	6.7
161.13324	3.6
163.07576	5.1
163.11198	32.0
164.07101	7.1
169.10107	12.5
171.08051	3.9
171.11693	4.2
172.08859	4.1
173.08200	2.1
173.09630	60.7
177.09123	4.4
177.12784	6.8
183.11893	3.0
187.11206	75.8
189.12791	7.3
191.10698	38.2
197.09602	11.9
205.12245	52.5
205.14156	3.0
209.11711	27.9
211.11273	3.9
213.27580	2.7
215.10703	61.2
217.41568	2.8
223.13306	4.3
233.11763	41.5
251.12839	42.2
269.13965	2.9
275.12863	3.3
341.14035	3.1
349.16510	2.8
367.04132	2.6
377.15778	7.3
395.16928	7.5
395.28979	4.0
410.66394	2.6
413.17307	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	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99928	2.2
55.05512	3.7
57.03441	25.6
61.02925	7.3
69.03432	35.2
69.07079	4.3
69.25379	25.7
71.01375	3.3
71.05002	5.7
73.02922	65.3
74.58544	2.6
81.03427	7.8
83.08636	6.2
85.02907	100.0
86.09710	6.6
87.04473	5.7
95.08615	3.0
97.02896	57.9
97.03515	3.8
98.20683	5.5
99.04477	5.4
104.10763	10.9
109.02897	9.4
113.09663	2.5
115.03943	43.0
123.45932	2.5
125.00070	2.8
127.03924	27.3
133.05000	13.9
139.07542	4.7
145.04973	42.0
150.07620	4.1
163.06044	17.8
166.63553	2.9
179.10654	2.4
184.07320	5.7
227.12880	3.4
239.87886	2.9
245.13846	3.7
263.14972	3.8
295.10287	3.7
335.09088	2.6
412.20111	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	413.0485
Annotation	OREGON GREEN 488 CARBOXYLATE
Peak:m/z	Relative Intensity
55.36483	3.1
55.43562	3.5
56.96559	7.6
57.03438	3.7
71.32980	6.3
74.02245	2.8
74.32291	2.9
77.13936	3.0
85.02906	3.9
98.97036	3.1
98.97578	22.4
112.89621	7.7
114.89375	6.0
116.98597	9.4
119.01968	3.2
128.98651	5.9
133.03424	3.6
136.06169	6.8
143.00212	3.3
143.01892	10.0
146.99721	4.3
161.01274	2.9
161.02963	8.4
164.98514	3.8
170.99617	4.0
173.02956	10.3
181.04913	6.3
182.99617	17.1
185.02901	3.3
191.04018	6.8
201.00745	28.4
219.01772	10.2
237.02765	4.1
243.01846	5.4
251.04271	6.3
253.63193	3.0
254.95810	6.6
293.05121	5.8
322.39859	3.1
327.04010	10.9
345.04886	5.1
353.07761	7.6
369.05719	13.5
413.04785	100.0
413.09973	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03945	2.8
55.05508	9.2
57.07069	3.1
65.03937	1.9
66.53571	1.4
67.05223	1.6
67.05511	23.0
69.07076	18.9
70.79918	4.2
78.77201	1.5
79.05500	15.7
81.07062	48.6
81.36131	1.4
83.08624	9.2
91.05491	13.1
93.07050	42.1
95.08609	100.0
97.10140	5.1
97.10747	1.7
105.07027	25.5
107.08603	74.7
109.06528	1.6
109.09449	3.3
109.10159	42.2
111.08119	1.6
117.06957	2.0
119.07787	2.7
119.08584	33.8
121.10151	56.8
121.11037	3.3
123.11717	13.7
125.09655	1.4
131.08562	4.9
133.09213	2.8
133.10138	26.4
135.11708	27.2
137.09621	2.0
137.13263	6.2
145.10077	8.0
147.11700	19.1
149.13264	31.0
151.11143	1.4
157.10196	1.6
159.11688	8.5
161.13264	20.4
163.14830	64.8
165.12799	1.8
171.11681	1.5
173.13255	8.1
175.14838	20.4
177.12740	3.0
177.16408	20.6
179.14371	7.5
181.77478	1.4
182.96326	1.4
187.14825	12.8
189.16403	27.4
191.17993	10.7
201.16402	6.5
203.17969	27.4
205.15918	2.6
205.19524	3.1
207.17468	5.5
210.32391	1.5
215.18024	5.8
217.19514	6.4
219.17445	1.9
229.19574	2.4
231.21060	14.2
233.18980	5.2
233.22685	2.2
236.02098	1.6
241.19675	1.4
243.21129	2.2
247.20580	2.9
257.22647	2.0
261.22040	1.9
269.22665	1.7
297.25626	10.4
315.26950	5.2
341.28510	3.0
383.57770	1.6
393.35132	10.7
411.36267	67.1
412.36722	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	411.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.05511	28.0
57.07057	4.8
63.17124	2.9
67.05509	20.6
69.07075	26.4
74.46893	2.8
79.05492	16.7
81.07052	38.3
83.08624	80.7
91.05501	18.7
93.07059	39.7
94.07329	4.2
95.08612	82.7
96.08907	3.5
97.10194	5.5
98.21505	7.6
105.07032	40.5
107.08604	74.6
109.06483	4.5
109.10155	39.0
111.08053	3.9
117.07025	7.0
119.08584	100.0
120.08882	3.9
121.10153	88.5
123.11698	12.1
131.08627	14.2
133.10138	63.7
135.11705	41.3
137.13235	4.7
139.07602	3.9
143.08598	4.2
145.10147	18.7
147.11699	28.7
148.91631	3.1
149.13251	17.5
151.07492	3.4
153.09109	9.5
157.10129	3.7
159.11714	13.5
161.13240	14.1
163.14824	32.3
167.10757	3.7
171.11598	4.1
173.13202	9.2
175.14838	58.0
177.16397	76.8
185.13277	3.6
187.14819	9.3
189.16379	89.7
190.16656	4.7
191.17944	22.8
199.14854	3.6
201.16367	12.6
203.17953	20.1
207.17484	6.3
213.16370	6.8
215.17964	5.4
217.15762	3.7
221.15390	3.5
229.15988	4.3
229.19470	3.8
235.16931	9.3
247.16946	7.0
269.22375	4.1
355.26193	6.4
365.31943	13.2
411.32254	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	411.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.0
57.03437	3.8
60.57807	2.3
67.05505	64.2
69.03442	12.0
69.59643	16.2
70.06599	6.5
71.04999	52.0
81.03425	7.2
81.07040	6.6
83.08645	11.9
85.02910	17.1
85.06525	7.0
87.00819	8.5
97.02882	8.5
98.20751	4.7
99.04449	3.4
109.02879	5.8
109.10162	72.9
125.09635	3.7
127.03919	8.2
127.11200	21.4
135.04463	6.9
145.02853	5.9
145.04900	2.5
145.12245	100.0
163.03911	26.6
163.13297	34.9
177.05582	3.4
288.39084	2.5
411.12518	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	411.1991
Annotation	Flumethasone
Peak:m/z	Relative Intensity
52.73493	0.4
52.91183	0.5
63.42279	0.4
67.05497	0.6
68.73580	0.4
69.03430	1.8
70.06583	1.5
71.04981	0.5
71.58540	0.7
73.02888	0.4
79.05498	0.6
81.03426	1.1
84.69023	0.4
85.02901	1.3
85.09000	0.4
87.00803	0.6
88.04021	0.5
91.05486	0.7
94.35411	0.4
97.02910	0.8
105.01884	0.4
107.04932	0.5
107.08560	1.0
109.10175	1.0
117.03362	0.5
119.01968	0.6
119.45957	0.5
125.04603	0.4
127.03928	0.7
131.04922	0.6
135.04413	0.7
145.04884	0.4
147.08089	0.4
147.09189	0.7
154.53633	0.5
163.03894	2.3
165.13945	0.4
175.07526	0.7
177.05493	0.5
203.05240	5.0
203.06888	0.7
225.55084	0.5
231.13597	1.7
233.10252	1.6
291.14371	1.1
320.65671	0.5
325.14069	0.8
353.15756	8.2
393.12833	0.6
398.23279	0.4
411.19916	100.0
412.20316	3.8
424.05347	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	411.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
54.49440	1.5
55.01879	1.7
55.05516	7.8
57.03421	3.7
57.07083	2.1
59.05002	3.8
61.02943	1.9
67.05506	72.1
69.03434	9.5
69.07069	2.7
70.06593	4.8
71.04999	44.8
71.16182	4.1
81.03412	7.6
81.07063	11.0
83.08615	11.4
85.02895	17.3
85.06554	6.1
87.00836	7.6
89.03922	4.0
97.02897	7.8
99.04461	3.1
105.01885	4.8
109.02897	7.8
109.06516	1.9
109.10162	79.5
115.03962	1.9
117.03381	4.7
125.09665	2.6
127.03922	9.0
127.11219	15.6
135.04433	8.4
145.02815	4.6
145.05003	2.7
145.12244	100.0
146.12582	2.0
159.02919	2.6
163.03915	34.3
163.13313	33.1
175.07556	2.4
246.00195	1.6
265.33530	2.3
289.58026	2.0
291.55032	1.8
346.18640	2.0
411.10742	3.4
411.16437	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	411.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05505	0.5
57.03413	0.4
61.75015	0.4
63.02383	0.7
67.05495	1.3
68.45274	0.4
69.03406	0.5
69.07063	1.6
69.58552	2.8
79.05499	4.0
81.07040	1.2
89.03929	12.7
89.04480	0.6
91.05461	1.3
91.93570	0.4
93.07056	0.9
95.04961	0.6
95.08595	1.0
97.06541	34.6
105.07034	0.9
107.04951	3.1
107.08592	0.7
109.10179	0.5
115.05463	1.7
117.03391	12.9
119.08620	0.9
121.10160	0.8
123.04472	0.9
131.04955	0.8
133.10156	0.6
135.04431	27.5
143.04930	1.5
145.02856	15.3
145.03998	0.9
147.11758	0.5
157.06590	0.6
161.05995	5.7
163.03920	100.0
164.04260	1.4
169.09962	0.5
171.72823	0.4
205.04971	1.1
205.08589	0.9
213.09161	1.7
215.03395	1.2
219.10120	0.6
254.25763	0.4
257.08148	0.9
257.11725	1.0
279.06412	0.5
281.07590	0.4
301.10715	1.9
325.06903	1.5
367.11801	2.1
393.13309	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	411.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
55.15073	1.5
65.03953	3.4
67.05505	3.4
69.03436	4.9
69.28070	16.3
71.05023	1.7
76.24419	1.4
79.05505	6.8
80.01371	1.8
81.03426	3.0
81.07069	4.1
82.06584	1.8
84.08158	6.8
85.02908	4.2
85.06557	1.6
89.03926	17.7
91.05502	6.3
92.05003	2.8
93.05833	1.7
93.07056	4.5
94.06575	18.1
95.04980	3.6
95.08627	3.9
96.08173	4.2
97.02918	3.8
98.36948	1.5
103.05481	2.5
105.07040	4.2
106.06574	7.3
107.04974	1.8
107.08587	3.6
108.08139	9.3
109.02912	3.2
109.10172	2.8
115.05482	1.9
116.04990	40.3
117.03402	2.6
118.06564	2.9
119.05002	2.4
119.08588	3.3
120.04478	7.9
120.08118	7.6
121.10159	3.0
122.06041	27.6
122.06905	2.2
124.07597	20.9
127.03950	4.3
129.07094	1.5
130.06583	3.4
131.04953	3.5
131.08562	3.8
133.06558	2.9
134.05980	3.9
135.04457	6.7
136.07588	21.9
137.05980	1.7
144.04465	25.8
144.05482	2.7
145.02864	5.5
145.10143	2.3
146.06026	8.7
147.04440	5.8
148.03915	2.8
148.07578	6.9
149.09692	1.5
150.05507	2.0
152.07135	2.3
158.06009	2.4
160.07726	1.5
162.05492	3.3
163.03914	27.5
163.05232	2.4
164.07169	2.3
167.07286	1.9
170.06070	2.1
172.03891	13.3
174.03151	5.1
175.03906	1.9
176.07048	1.9
181.08884	2.9
186.05507	9.8
188.07117	3.6
190.05002	100.0
191.05493	3.3
191.07303	4.3
193.07594	2.1
194.09741	2.0
195.09245	2.4
196.09993	3.1
198.11526	2.4
201.10291	2.1
204.06595	3.8
205.08771	1.7
206.09724	4.4
207.09201	19.1
208.09933	10.5
209.10754	1.7
210.11609	3.2
211.08771	4.8
211.12355	4.3
212.09293	1.5
220.10110	1.6
221.07120	4.1
221.10747	14.1
222.08000	2.0
222.11522	7.9
223.08719	3.3
223.12271	17.1
225.10236	3.9
226.10979	2.7
231.02893	1.8
232.06091	3.1
234.09190	4.2
235.08704	9.4
236.09480	18.4
237.10306	2.7
238.11107	3.5
239.12067	1.7
240.08961	2.0
249.10272	8.5
250.10983	9.1
251.11790	28.1
253.09752	1.8
254.10582	2.5
259.10883	2.0
261.10278	2.0
262.08627	2.7
262.11127	2.0
263.08176	5.9
264.08948	15.1
278.10593	11.5
279.11295	73.3
280.11951	2.4
283.10800	2.2
292.08536	2.4
293.08365	2.2
296.11520	3.5
297.12424	10.4
307.10803	90.8
308.11035	2.8
325.11899	46.0
339.13428	6.5
343.12949	5.4
352.23358	1.8
365.06659	3.8
367.12650	10.6
383.12402	9.1
393.10898	3.8
411.06604	4.1
411.11749	31.6
411.20090	3.8
412.11993	2.0
429.13144	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	411.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.9
68.99101	1.3
79.05499	3.0
81.03445	1.6
81.07060	2.4
89.03922	16.7
91.05510	1.8
92.05004	1.9
93.05760	1.3
93.07047	2.9
94.06582	19.9
96.08145	4.3
103.05506	1.8
105.07050	1.9
106.06561	5.8
107.08539	1.5
108.08159	7.1
116.04993	37.5
117.03398	3.0
117.68403	1.5
118.06561	1.9
120.04478	10.8
120.08124	7.3
122.06039	27.9
123.04442	5.1
124.07607	24.2
130.06535	1.9
132.08060	2.1
134.06061	1.9
135.04433	3.9
135.73898	1.5
136.07593	15.2
138.09126	1.5
141.42693	1.4
144.04462	26.6
145.02826	2.0
146.05998	7.6
148.04041	1.7
148.07584	7.3
152.07098	2.3
157.07646	1.7
158.05971	4.2
161.05981	1.8
162.05524	2.0
163.03944	25.7
164.07045	2.4
167.07286	2.2
170.06113	2.2
172.03987	8.2
173.02429	1.5
174.05450	1.7
186.05556	7.7
188.07088	2.8
190.05017	94.4
191.07324	2.5
193.07605	3.8
194.09729	1.6
195.09305	2.5
196.09894	2.9
197.10864	1.4
204.06578	3.5
206.09761	3.2
207.09210	15.7
208.09935	13.5
209.10776	2.7
210.07484	1.9
210.09390	1.6
210.11469	3.4
211.08730	4.4
211.12337	4.8
212.09482	1.7
221.07262	2.8
221.10751	13.0
222.08124	2.1
222.11546	6.0
223.12335	17.3
224.09306	1.9
225.10237	4.9
226.11061	6.3
231.10278	5.1
232.06136	3.3
233.10556	2.8
234.09175	3.4
234.11438	1.9
235.08676	10.3
236.09473	18.6
238.11041	4.9
249.06516	3.5
249.10242	9.1
250.07201	2.1
250.11014	10.7
251.11856	23.3
254.10504	2.4
263.08185	6.2
264.08951	13.5
269.46298	1.5
278.10568	10.9
278.64474	1.4
279.11316	73.3
292.08411	1.9
296.11499	3.2
297.12329	9.3
307.10794	100.0
308.11203	3.4
324.11020	2.1
325.11868	47.3
339.13477	6.4
343.13010	2.5
347.12991	2.1
367.12936	11.2
383.12552	7.7
384.65555	1.6
393.10361	6.8
411.11734	34.2
429.12933	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	411.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23903	1.1
53.03937	2.0
61.02935	1.4
65.03947	1.7
66.35583	1.2
67.04242	1.4
67.05507	1.6
68.99774	1.9
69.03441	1.3
70.76782	3.6
79.05485	4.6
80.04981	1.5
81.03413	2.8
81.07057	2.8
82.06531	1.6
85.02911	1.6
89.03930	20.2
91.05519	1.4
92.04986	2.6
93.07026	2.5
94.06579	18.2
94.67114	1.4
95.08612	2.1
96.08129	4.7
103.05474	1.8
105.07014	3.2
106.06551	5.0
107.07368	1.5
107.08594	2.6
108.08142	7.1
109.02886	3.3
115.05421	2.0
116.04987	41.1
117.03375	7.1
119.08590	1.4
120.04481	11.4
120.08099	5.1
122.06022	27.0
124.07596	20.3
127.03954	2.4
129.01837	1.5
130.06555	2.2
133.10178	1.6
134.06026	5.1
135.04414	12.2
136.07590	14.6
138.09161	1.7
144.04460	23.4
145.02827	12.1
146.05988	4.8
148.07578	7.8
150.05545	1.6
152.07086	2.4
158.06015	4.8
160.07629	1.7
162.05563	1.5
163.03925	64.1
164.07057	1.4
166.08534	1.6
168.07928	1.7
170.05994	2.0
172.03969	10.4
175.23976	1.2
176.07109	1.7
181.08965	1.8
182.09616	2.1
183.09167	2.3
186.05460	9.3
188.07033	2.9
190.05003	100.0
191.05544	2.6
191.07323	3.8
193.07491	1.3
195.09097	3.6
196.07599	1.2
196.09985	4.6
198.11548	1.7
201.05467	1.9
204.06567	2.7
206.09863	3.4
207.09157	18.3
208.09930	14.5
208.11644	1.6
209.10661	2.6
210.07582	2.1
210.11494	3.4
211.08716	3.3
211.12271	4.5
221.07179	2.1
221.10719	13.8
222.11522	8.6
223.12358	16.8
224.19574	1.3
225.10187	4.1
226.11052	7.5
232.06053	3.4
233.10771	2.2
234.09164	3.5
234.11476	1.8
235.08681	11.5
236.09431	20.0
237.10184	3.1
238.10980	3.3
247.06137	2.5
249.06612	1.6
249.10199	9.1
250.10999	11.5
251.11819	25.7
254.10490	2.4
262.08722	2.4
263.08194	7.8
264.08948	15.0
278.10587	12.2
279.11279	69.8
282.10181	1.6
297.12393	7.1
307.10782	88.9
308.11224	3.7
325.11844	44.2
326.12262	2.5
339.13434	5.4
343.12778	3.9
367.12814	8.7
367.22827	1.4
383.12283	5.5
393.10892	8.4
411.11945	35.2
429.12991	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	411.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57777	1.1
53.03946	1.5
55.05518	1.5
65.03941	2.9
65.86072	1.3
67.05508	2.9
68.68162	1.2
69.07076	1.5
70.80403	1.3
79.05502	4.1
81.03394	2.4
81.07068	2.9
82.06610	1.8
85.02907	1.8
89.03924	22.3
91.05490	3.6
92.05042	1.3
93.07056	2.3
94.06577	24.1
96.08140	5.8
97.02913	2.3
98.20762	4.2
100.11230	3.2
103.05460	3.0
106.06554	5.9
108.08116	8.8
109.02884	4.0
116.04989	43.8
116.63659	1.4
117.03388	5.1
118.06557	2.9
120.04499	8.7
120.08115	5.6
122.06040	27.7
124.07607	22.0
127.03909	2.7
130.06578	3.5
131.08711	1.3
131.33528	1.3
134.06038	3.0
135.04439	9.1
136.07605	18.2
144.04451	27.9
145.02875	8.8
146.05997	7.7
147.04451	5.8
148.07582	9.0
151.07466	1.3
152.07135	2.9
157.08913	1.6
158.06052	5.5
162.05539	3.9
163.03920	50.7
164.07066	1.6
166.08673	1.7
167.07292	2.2
168.08038	1.7
170.06076	1.9
172.03983	10.5
180.08116	1.8
181.04930	1.3
181.08861	2.4
182.09738	1.6
186.05524	10.9
188.07162	1.8
190.05005	97.3
191.05530	2.6
191.07361	4.7
193.07704	1.7
195.09196	3.8
196.07700	1.7
196.09978	4.2
197.10805	1.9
198.11583	2.1
204.06618	3.1
204.08273	1.5
206.09715	5.1
207.09181	17.4
208.09940	12.5
209.10732	3.1
210.07558	3.2
210.09346	1.8
210.11475	1.9
211.08717	3.9
211.12349	5.2
221.07236	3.2
221.10741	14.3
222.11516	7.9
223.08771	2.0
223.12300	16.6
225.10254	4.3
226.11102	4.7
232.06003	1.5
233.10744	2.6
234.09207	6.9
234.11441	2.7
235.08647	11.5
236.09453	19.5
237.10367	3.6
238.10997	3.3
239.08258	1.4
239.11804	1.4
249.06676	1.9
249.10149	6.5
250.11017	8.5
251.11836	23.5
253.13123	1.5
254.10561	2.6
255.11339	1.9
259.10800	2.1
262.08569	2.6
263.08182	6.8
264.08923	14.0
265.09647	2.6
278.10486	13.5
279.11298	76.8
280.11548	2.0
282.09988	1.6
289.09351	1.8
296.11572	2.8
297.12427	9.7
307.10806	100.0
308.11276	3.3
324.10983	1.9
325.07947	2.3
325.11835	41.6
339.13397	7.9
343.12836	3.9
367.12851	11.6
383.12451	6.8
393.10849	5.5
411.11969	28.8
418.95529	1.4
429.12744	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	411.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01871	0.4
55.05482	0.3
56.66259	0.3
60.16042	0.3
61.02920	0.4
63.02377	0.5
66.25385	0.2
67.01858	1.0
67.05502	0.6
68.99787	0.5
69.03429	3.4
69.07069	1.1
71.04987	0.5
73.74625	0.3
79.05497	2.9
81.03426	4.3
81.07070	1.4
83.08615	0.4
85.02905	2.7
87.00833	0.8
89.01798	0.3
89.03922	9.3
90.11813	0.3
91.05464	1.0
93.07023	0.7
94.06570	0.3
94.99271	0.3
95.04973	0.6
95.08630	1.5
97.02906	2.1
97.06537	6.5
99.04454	1.3
105.07039	0.9
107.04964	2.1
107.08572	1.1
109.02882	5.5
109.10153	0.7
109.30965	0.3
110.78439	0.4
115.05507	0.5
116.04929	0.5
117.03390	10.0
117.06968	0.3
119.08591	0.9
121.10164	0.7
122.05978	0.4
127.03933	3.7
129.01808	0.5
131.08589	0.7
133.10143	0.7
135.04424	20.7
135.11749	0.5
143.08537	0.4
144.52615	0.3
145.02858	14.8
145.10120	0.5
147.04498	0.3
147.11725	0.5
149.09596	0.4
149.13205	0.4
157.10190	0.6
161.06023	1.1
163.03915	100.0
164.04243	1.2
177.05388	0.4
177.12445	0.3
181.04971	0.9
185.09599	0.3
186.05548	0.6
187.14847	0.5
189.16322	0.4
190.05037	0.8
200.15302	0.3
205.04970	0.4
213.09085	0.5
215.17769	0.4
219.16624	0.3
222.48616	0.3
223.12277	0.3
231.06564	2.3
251.12039	0.4
257.08093	0.4
279.11099	0.6
297.05634	0.3
301.10562	0.3
302.30081	0.3
307.07809	1.5
307.10898	0.9
325.12048	0.4
328.83255	0.3
367.12222	0.5
393.07950	0.7
411.09235	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	411.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56534	0.2
51.02370	0.2
53.03954	1.3
55.01869	0.2
55.05496	0.2
57.03419	0.6
61.02917	0.2
63.02369	0.5
65.03947	0.3
65.61811	0.2
67.01865	1.3
67.05493	0.6
68.99779	0.5
69.03432	3.1
69.07066	0.3
71.04999	1.1
71.59692	0.2
77.03917	0.4
79.05500	1.6
81.03422	5.9
81.07055	0.8
82.06579	0.3
85.02908	3.1
85.06564	0.2
85.15651	0.2
87.00846	1.1
89.03922	9.8
91.05497	0.4
93.07043	0.6
94.06582	1.4
95.04952	0.6
95.08609	0.6
96.08147	0.5
97.02902	3.0
99.04466	1.5
103.05472	0.2
105.01883	0.2
105.07034	0.7
107.04960	3.1
107.08591	0.8
108.08130	0.7
109.02891	6.9
109.06555	0.3
109.10142	0.3
116.04991	3.0
117.03387	9.7
119.08572	0.5
120.04482	0.7
120.08079	0.3
121.10113	0.6
122.06050	2.1
123.11792	0.2
124.07579	1.3
127.03926	4.5
129.01878	0.3
130.06482	0.3
131.08545	0.3
133.06511	0.2
133.10117	0.5
134.06061	0.4
135.04425	19.1
135.11714	0.2
136.04770	0.2
136.07579	1.6
141.07018	0.2
144.04468	2.0
145.02859	13.2
145.10114	0.6
146.06021	0.6
147.04381	0.3
147.11646	0.6
147.39412	0.2
148.07590	0.8
149.13283	0.2
151.72455	0.2
157.10216	0.2
158.06041	0.5
159.11647	0.3
163.03914	100.0
164.04218	1.4
172.03966	1.0
175.14822	0.4
181.05028	1.5
185.13326	0.4
186.05516	1.1
188.07103	0.3
189.12842	0.3
190.05000	7.9
195.09151	0.4
196.38181	0.3
201.10298	0.3
201.16339	0.3
204.06635	0.4
206.09843	0.2
207.09172	1.3
208.09976	0.8
211.12315	0.4
213.03918	0.2
221.07132	0.2
221.10686	1.2
222.07816	0.2
222.11497	0.7
223.12280	1.0
225.10307	0.4
226.11086	0.5
229.16037	0.2
233.10727	0.2
234.09120	0.3
235.08688	0.6
236.09477	1.3
237.10110	0.3
238.11176	0.2
249.10184	0.6
250.11005	1.0
251.11874	1.5
263.08185	0.7
264.08960	1.0
278.10480	0.7
279.11273	5.5
280.11853	0.3
297.12299	0.6
307.08002	1.6
307.10822	5.8
325.11899	3.5
339.13370	0.4
343.13162	0.3
367.12979	0.7
383.12546	0.6
393.07666	0.3
393.11136	0.4
411.09210	1.9
411.11780	1.3
411.32596	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	410.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
53.12605	1.2
55.01865	2.7
57.03432	1.6
57.07080	2.3
61.02906	1.1
64.99268	1.0
68.99742	1.6
69.03439	8.0
69.85958	5.9
71.04993	11.7
73.02926	2.7
73.06554	1.7
81.03416	7.5
81.07066	1.3
85.02909	24.6
87.00838	10.2
87.08085	1.6
91.03940	1.5
97.02892	9.5
99.04475	3.7
104.88078	1.1
105.01866	8.7
109.02884	6.6
109.10167	3.8
117.01863	1.1
124.77744	1.0
127.03928	13.6
127.11192	26.6
138.34941	1.3
145.04988	5.7
145.12244	100.0
146.12639	1.7
159.02911	4.0
163.03947	4.5
166.85269	1.4
226.88933	1.1
231.05110	1.3
279.24088	1.2
402.32233	1.1
410.09207	1.4
411.20129	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	411.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
54.52911	0.2
55.05514	0.4
57.03431	0.4
61.02925	0.4
63.02390	0.5
67.01859	0.9
67.05501	0.9
69.03128	0.3
69.03436	3.8
69.07069	0.5
70.01743	0.2
71.01360	0.3
71.04984	0.9
79.05491	1.9
81.03424	6.0
81.07043	0.7
85.02499	0.3
85.02911	3.4
87.00819	1.1
89.03920	8.1
91.05479	0.7
93.07057	0.6
95.04948	0.3
95.08591	1.0
97.02893	2.5
99.04462	1.6
105.01878	0.3
105.07037	1.0
107.04964	2.6
107.08591	1.1
109.02886	8.8
109.10133	0.5
116.05004	0.4
117.03385	9.9
119.04896	0.4
119.08575	0.9
121.10127	0.8
127.03916	5.1
129.01784	0.3
131.08543	0.3
133.10120	0.7
135.04424	21.5
135.11717	0.3
136.04808	0.3
143.08557	0.3
145.02852	13.1
145.10106	0.7
147.04413	0.4
147.11661	0.4
149.13293	0.5
155.08429	0.3
155.41861	0.3
157.10138	0.4
159.11656	0.5
161.09473	0.3
161.13226	0.5
163.03911	100.0
164.04256	1.3
175.14835	0.5
181.04979	1.1
183.11603	0.3
186.05533	0.6
187.14677	0.4
189.16435	0.4
190.05009	0.7
279.11270	0.5
307.08020	2.8
307.10483	0.3
325.11908	0.4
385.69321	0.3
393.08170	0.9
398.14301	0.3
410.31378	0.3
411.09073	2.7
411.32614	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	411.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03941	1.5
55.01855	0.4
57.03431	0.4
63.02380	0.5
65.03909	0.3
67.01866	1.1
67.05509	0.4
68.99790	0.2
69.03437	3.4
69.24948	0.9
69.25367	1.6
71.04989	0.6
79.05494	2.1
81.02967	0.4
81.03426	5.4
81.07054	0.4
83.15614	0.3
85.02914	2.5
87.00827	0.9
89.03918	8.9
91.05482	0.7
93.07061	0.4
94.06584	1.5
95.04964	0.5
95.08601	0.4
96.08141	0.3
97.02897	2.8
99.04465	1.2
103.05457	0.3
105.07021	0.3
106.06545	0.4
107.04977	2.4
107.08600	0.4
108.08133	0.7
109.02891	7.9
116.04993	4.0
117.03392	10.6
119.08611	0.4
120.04469	0.9
120.08073	0.5
121.10155	0.3
122.06033	2.4
124.07622	2.1
127.03067	0.4
127.03919	4.1
131.08591	0.3
133.10170	0.4
135.04428	19.8
136.07562	1.3
144.04456	2.5
145.02859	12.6
146.06026	0.7
147.04295	0.3
148.07542	0.9
149.13159	0.2
161.09633	0.4
163.03914	100.0
164.04271	1.0
172.03969	1.0
175.11415	0.3
181.04951	1.6
181.08904	0.3
186.05492	0.9
190.05011	9.7
195.09140	0.4
196.09991	0.4
206.09621	0.5
207.09148	1.4
208.09953	0.9
209.10893	0.3
210.11470	0.3
211.12354	0.4
221.07132	0.4
221.10829	1.1
222.11566	0.6
223.12263	1.5
225.10228	0.4
226.10995	0.6
227.05927	0.3
233.10463	0.3
234.09117	0.3
235.08701	0.8
236.09425	1.8
238.11046	0.4
247.54591	0.2
249.10226	0.6
250.07260	0.3
250.11122	0.7
251.11801	2.2
263.08157	0.9
264.08997	1.4
278.10553	1.3
279.11313	6.7
292.08453	0.3
296.11691	0.4
297.12335	0.6
307.08032	1.3
307.10919	7.4
325.11923	4.4
339.13580	0.4
343.13132	0.3
367.12933	0.7
383.12280	1.0
393.07693	0.4
395.39252	0.3
411.11627	2.3
411.17276	0.3
411.32504	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	411.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
57.03426	0.3
63.02379	0.6
67.01855	1.1
67.05500	0.6
68.99770	0.3
69.03429	3.4
69.04047	0.2
69.07063	0.4
71.04990	0.9
71.58670	0.3
76.83852	0.3
77.29494	0.3
79.05506	1.5
81.03423	6.0
81.07047	1.1
83.05018	0.3
85.02906	2.7
87.00822	0.9
89.03922	8.2
91.05474	0.7
91.56425	0.3
91.97073	0.3
93.07038	0.6
94.80126	0.3
95.04947	0.4
95.08605	0.8
97.02890	2.7
99.04461	1.5
105.07027	0.8
107.04950	2.5
107.08584	0.9
109.02888	8.0
109.10136	0.5
111.08073	0.4
116.04908	0.3
117.03382	9.7
119.08600	0.7
121.10151	0.6
123.08103	0.3
127.03925	4.6
129.07010	0.3
131.08560	0.4
133.10133	0.6
135.04424	19.8
135.11739	0.4
145.02859	13.9
145.10107	0.6
147.04414	0.4
147.11714	0.4
149.13269	0.6
158.06004	0.3
159.11760	0.5
161.09602	0.4
161.13249	0.4
163.03912	100.0
164.04247	1.2
175.14790	0.4
175.95450	0.3
181.04959	1.4
186.05424	0.4
190.05101	0.3
201.16489	0.4
213.04002	0.4
224.97435	0.3
307.08041	2.2
325.08829	0.3
344.11859	0.3
353.41037	0.3
393.08105	0.5
410.30951	0.3
411.09222	2.9
411.32385	0.9
434.69839	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	410.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17036	2.2
50.22739	2.1
53.03945	3.7
55.01873	3.5
58.74130	1.8
61.02929	3.9
62.06065	2.4
68.99781	3.5
69.03430	6.3
71.04985	2.2
71.38947	2.1
72.08133	2.5
73.02930	5.0
81.03419	9.8
82.91233	2.0
85.02910	27.6
87.00830	9.5
97.02889	10.8
103.03938	2.9
105.01889	4.6
109.02882	7.3
114.09169	2.5
115.05455	4.6
117.05769	5.7
117.07005	6.9
127.03918	11.3
128.06299	3.5
129.06998	7.8
130.06546	12.7
132.08096	7.6
143.07307	25.2
144.08089	92.4
145.04935	3.6
154.06506	3.5
155.07353	3.2
156.08105	32.1
157.08861	5.0
158.06047	4.8
158.09662	100.0
159.02899	4.3
160.07584	10.8
162.09114	9.6
167.07372	8.3
168.08098	24.3
170.09676	5.1
172.07578	2.6
174.09184	7.3
180.08038	2.5
180.97630	2.0
181.08846	3.4
182.09676	6.1
184.07576	25.2
186.09151	86.1
187.09406	2.4
196.07565	4.1
196.11211	6.3
198.09186	4.6
204.10207	70.3
209.08337	2.4
210.09206	4.9
219.68391	1.9
224.10690	9.5
228.10245	6.0
234.09116	2.5
252.10243	16.1
270.11176	10.3
288.12262	5.2
312.12598	3.6
330.13507	7.0
356.11465	10.3
374.12311	38.4
392.13391	42.2
410.18500	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	409.3829
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
51.77030	2.5
53.00721	2.2
53.03922	2.5
53.27140	2.3
55.05508	21.6
57.07079	12.8
63.51243	2.2
66.32504	2.2
66.89909	2.6
67.05510	27.4
69.06725	3.7
69.07071	58.8
70.88746	5.6
70.89102	3.4
71.08630	5.4
79.05074	2.5
79.05470	12.6
80.93230	2.3
81.07057	79.8
83.08627	21.2
84.14841	2.0
91.05470	11.1
93.07040	34.0
95.08607	75.0
95.51418	2.3
97.10164	8.8
105.07036	25.0
107.08598	38.6
109.09457	4.0
109.10162	60.3
111.11728	7.3
114.22483	2.4
117.06996	3.6
118.55602	3.1
119.08570	26.8
121.10151	36.8
123.11701	29.4
131.08572	10.5
133.10138	25.8
135.11679	23.9
137.13277	16.8
143.08539	3.8
145.10136	17.7
147.11693	27.9
149.13251	26.9
151.14793	3.0
157.10138	5.2
159.11696	26.9
160.12102	2.2
161.13243	16.2
163.14796	14.3
165.16542	2.3
171.11732	6.5
173.13266	19.5
175.14873	15.7
177.16405	10.4
185.13173	6.4
187.14865	12.4
189.16425	11.9
191.17982	9.4
192.99603	2.6
199.14848	5.3
201.16481	11.8
203.17963	9.2
213.16435	3.0
215.18018	6.5
217.19536	7.4
227.17964	3.3
229.19540	9.8
231.21205	7.6
243.21091	6.2
245.22598	3.1
257.22638	8.8
259.24219	5.2
269.22601	2.8
271.24274	6.3
273.25787	3.2
285.25916	7.5
297.25867	4.5
299.27435	6.0
325.28687	2.9
327.30469	10.4
353.31992	5.5
409.38290	100.0
410.38663	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.05508	11.7
57.03495	1.2
57.07071	4.2
59.96063	1.4
65.03937	1.7
67.05506	19.0
68.65629	1.1
69.07072	25.8
69.48557	9.5
71.08609	1.5
73.77808	1.2
74.55495	1.2
79.05502	16.8
81.07060	43.5
83.08620	9.6
85.06548	1.3
87.21185	1.4
90.23121	1.1
91.05483	19.2
93.06461	2.8
93.07048	42.2
95.04990	3.6
95.08613	68.6
97.06538	2.8
97.10174	4.7
99.08093	2.0
105.07037	40.5
107.08601	75.5
109.06541	2.1
109.10164	43.2
111.08028	1.3
111.11701	1.3
117.07042	5.1
119.08590	47.7
121.06519	1.2
121.10152	55.7
123.08063	1.4
123.11716	14.2
129.06953	1.8
131.08574	14.6
133.10135	40.6
133.31677	1.2
135.08069	8.3
135.11700	29.6
137.09633	2.2
137.13240	4.5
143.08588	5.2
145.10144	28.1
147.11699	31.1
149.09637	3.0
149.13268	37.5
151.14847	2.9
157.10138	7.4
158.10957	1.3
159.11690	21.2
161.09625	1.7
161.13278	18.1
163.11203	9.1
163.14844	30.6
165.12830	1.5
169.10188	1.8
171.11742	3.9
173.13300	11.7
175.11266	4.2
175.13303	1.9
175.14836	29.3
177.12808	4.2
177.16406	40.7
178.16833	1.5
183.11768	2.6
184.42975	1.3
185.13286	4.2
187.14825	26.1
189.16389	23.7
191.14247	2.3
191.17978	14.5
195.11728	2.0
199.14851	4.3
201.16415	12.9
203.17973	89.4
204.18303	2.4
205.15892	61.1
205.19524	3.7
207.17531	2.1
213.16425	4.9
215.17889	7.6
217.19556	2.7
219.17476	8.0
227.18031	3.4
229.19444	5.9
231.17374	6.0
231.21162	1.7
239.18044	1.4
241.19604	3.8
243.21173	2.6
245.19063	2.2
253.19524	2.5
255.21082	2.8
381.35196	2.7
391.33594	4.8
409.34738	100.0
410.34930	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	409.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.9
57.07063	7.1
67.00844	2.9
67.05501	32.8
69.03410	3.6
69.07069	23.8
71.59607	3.3
71.59982	3.3
79.05500	18.6
81.07068	60.7
83.08621	15.4
87.35025	3.0
91.05487	25.3
93.07049	54.4
95.04963	9.5
95.08611	100.0
97.06535	4.7
97.10142	9.3
99.08072	3.7
105.06354	5.2
105.07028	50.7
107.08601	80.8
109.10164	46.7
111.08067	5.0
111.11691	3.1
117.07043	7.0
119.08582	76.2
121.09308	5.3
121.10152	71.0
123.11713	18.7
129.07001	6.1
130.07617	3.6
131.08560	23.6
133.10147	46.0
135.08015	3.5
135.11696	42.2
137.13232	10.2
143.08554	13.5
145.10138	56.8
147.11667	29.6
149.09624	5.1
149.13252	20.4
151.07463	4.0
155.08525	4.9
156.09309	3.8
157.10164	17.7
159.11684	44.7
161.13292	28.8
163.11241	5.0
163.14818	32.6
169.10072	4.6
171.11732	20.9
173.13281	32.2
175.14766	20.4
177.16415	17.6
183.11662	8.3
185.13272	17.6
187.14827	58.2
189.16377	36.5
190.64354	3.8
191.14264	4.1
191.17963	43.0
193.16179	3.4
195.11662	3.3
197.13210	7.1
199.14781	7.5
201.12729	3.6
201.16417	36.3
203.14322	4.2
203.17996	24.7
205.15886	15.4
207.17491	6.5
211.14828	4.4
212.15553	4.7
213.16324	13.5
215.17969	16.1
217.15971	3.9
217.19498	11.3
219.17426	24.9
227.17967	8.2
229.19490	11.8
241.19525	90.2
253.19460	4.6
255.21048	9.2
259.20508	3.9
267.21106	7.7
269.22583	5.3
290.48749	3.1
295.24289	4.5
385.14325	3.2
391.33667	22.5
409.26401	4.7
409.34799	91.0
410.34888	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05518	13.8
57.07070	3.6
58.33232	1.8
61.67345	1.9
65.01752	1.8
67.05170	2.3
67.05507	26.1
69.07071	19.4
70.56028	5.8
79.05486	19.6
81.07062	58.3
83.08616	8.1
91.05494	21.2
93.07054	48.1
95.04966	8.5
95.08614	100.0
97.06576	2.5
97.10172	3.3
103.05460	3.7
105.07043	67.2
105.07756	3.8
107.08606	58.7
109.06497	4.9
109.10165	42.9
111.08070	14.6
114.36133	1.9
117.07030	7.5
119.08588	62.8
121.06538	3.6
121.10150	42.1
123.08080	3.0
123.11716	15.8
128.06233	2.3
129.07011	6.2
129.33159	2.0
131.08575	21.7
133.10141	32.0
135.08075	3.1
135.11703	27.8
137.13277	5.8
139.11182	6.1
142.07770	6.5
143.08560	11.5
144.09306	2.7
145.10130	39.4
147.08038	2.4
147.11697	35.0
149.09622	3.4
149.13281	34.7
149.85480	1.8
151.07542	4.1
155.08659	2.2
156.09326	3.8
157.10115	13.4
159.11702	30.1
161.09605	4.4
161.13271	21.2
163.14838	23.8
165.09164	5.4
165.12746	2.7
165.16238	2.2
167.08614	2.3
169.10178	3.1
171.11702	9.7
173.13271	18.0
175.11211	7.3
175.14841	24.3
177.16415	23.6
181.10181	2.7
183.11687	5.8
185.13303	8.4
187.14841	40.4
189.16383	22.1
191.14316	2.7
191.17955	6.2
197.13206	4.6
197.26312	2.1
199.14828	12.6
201.16435	18.3
203.14441	3.4
203.17979	25.0
205.15897	6.9
205.19527	2.7
213.16431	22.2
215.18004	8.9
217.15918	3.1
217.19565	6.3
219.17480	6.5
221.15355	16.7
225.16415	2.6
227.18011	7.9
229.19551	6.4
233.19095	3.9
234.16251	5.2
234.28809	2.3
239.18031	3.9
241.19514	9.0
243.21120	7.9
243.67378	2.1
253.19676	2.4
255.21051	12.9
257.22467	2.6
267.21124	6.7
269.22781	4.5
287.20020	2.0
313.25211	4.5
332.32666	2.5
351.26633	2.3
351.30554	6.3
391.33578	8.6
409.27460	8.0
409.34668	84.9
410.35120	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	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.05512	10.9
57.07065	4.4
59.17671	1.4
63.30796	1.4
67.05505	15.8
69.06783	1.5
69.07076	16.4
69.85718	6.9
69.89137	1.4
75.41204	1.4
77.19498	1.6
79.05500	11.9
81.07062	33.1
83.08612	8.7
91.05484	17.2
93.07048	38.3
95.04980	3.7
95.08615	52.8
97.10167	3.3
98.21472	3.0
105.07037	38.2
105.07756	1.9
107.08605	46.1
109.06503	2.3
109.10158	27.8
115.05457	2.2
117.07048	4.9
119.07795	3.1
119.08591	48.3
121.10151	39.3
123.08080	2.3
123.11712	14.9
125.09643	1.9
128.06177	2.3
129.06998	3.3
131.08583	16.3
133.10133	34.6
135.08032	2.2
135.11708	24.1
137.13275	3.1
142.07817	3.2
143.08563	9.3
145.10127	29.0
147.11694	28.0
149.09622	1.8
149.13284	19.7
151.07550	1.8
151.11278	1.5
151.14871	1.7
153.62421	1.5
155.08539	2.4
156.09375	2.2
157.10165	15.8
159.11711	22.8
161.13304	16.7
163.14821	25.0
169.10123	4.5
170.10898	1.9
171.11693	16.7
173.13275	16.6
175.14821	17.1
177.16402	13.9
179.14349	3.6
181.15877	1.9
183.11703	5.1
185.13235	16.8
187.14818	20.0
189.16386	31.2
191.14284	2.0
191.17978	5.6
197.13268	6.2
198.14069	2.9
199.14841	13.0
201.16348	12.5
203.14285	1.6
203.17982	17.9
205.15950	7.0
207.17467	5.0
211.14781	5.5
212.15646	6.8
213.16380	9.7
215.17947	15.0
217.19572	4.4
219.17415	3.1
221.15341	3.1
225.16397	3.3
226.17186	2.5
227.17928	8.4
229.19571	13.7
231.21063	3.5
241.19527	100.0
242.19850	2.2
243.21091	6.7
245.18936	3.5
253.19499	2.5
255.21132	15.7
257.22678	2.4
267.21100	3.5
269.02750	1.8
269.22659	9.0
281.22739	1.8
285.22253	2.9
286.63412	1.7
295.24231	2.9
321.25766	2.8
391.33652	21.7
409.34656	82.3
410.34683	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05302	1.0
55.05515	9.0
57.07068	3.9
59.14554	1.2
64.31583	1.1
67.05167	2.3
67.05511	23.5
69.07074	14.8
70.94910	3.5
79.05498	28.8
81.07062	26.9
83.04965	1.2
83.08644	7.6
85.06567	1.2
85.71021	1.1
90.99127	1.2
91.05476	12.7
93.07060	30.7
95.04992	1.6
95.08615	79.3
96.08916	1.9
97.10172	3.7
105.07038	23.0
107.08604	100.0
109.06503	3.1
109.10167	37.5
117.07005	3.3
118.43239	1.3
119.07785	2.4
119.08590	31.2
121.10155	43.2
123.11714	7.8
129.06966	1.3
131.08577	6.9
133.10141	24.5
133.11075	2.1
135.08081	3.6
135.11719	18.9
137.09615	2.2
137.13295	2.0
143.08577	2.2
145.10144	20.2
147.11697	15.7
149.09634	1.9
149.13263	23.2
157.10126	4.4
159.11691	12.5
161.09688	1.5
161.13258	9.3
163.11203	13.9
163.14838	15.0
171.11740	3.9
173.13335	8.0
175.11206	2.5
175.14842	24.4
177.12820	2.6
177.16406	41.8
185.13243	3.9
187.14848	17.7
189.12737	1.6
189.16412	17.4
191.17947	5.6
199.14987	2.9
201.16379	7.4
203.14343	3.1
203.17975	38.2
204.18513	1.4
205.15904	68.3
205.19362	2.4
207.17523	1.8
211.14796	1.7
213.16411	3.0
215.17949	6.5
217.15912	1.8
217.19536	2.9
219.17447	4.0
227.17876	1.9
229.19524	2.8
231.17542	2.2
239.17989	1.9
241.19583	3.0
243.21146	2.6
245.19246	1.4
253.19598	2.2
255.21051	3.0
267.21030	1.6
269.22684	1.5
271.20767	1.9
285.25824	11.0
295.24313	14.9
313.25262	19.6
339.26877	5.0
377.85791	1.4
381.34998	1.7
391.33627	5.7
409.34659	41.9
410.35083	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.7
55.46144	1.3
57.07082	2.3
67.05511	15.0
69.07076	20.3
69.55531	9.1
79.05492	14.2
81.07065	27.3
83.08630	7.6
91.05048	1.2
91.05511	12.7
93.07057	31.9
95.04959	1.4
95.08611	66.6
97.10174	4.2
105.06490	0.9
105.07039	32.9
107.08601	68.6
109.09445	2.7
109.10160	32.5
117.07019	3.0
119.07783	2.4
119.08588	30.7
121.10150	52.4
123.08083	2.5
123.11708	10.8
131.08583	5.4
133.10147	28.6
135.08086	5.0
135.11699	19.3
137.09604	1.9
137.13255	3.2
143.08636	2.3
144.09398	1.4
145.10117	14.0
147.11696	22.3
149.09686	2.1
149.13263	36.4
157.10118	2.8
159.11679	9.3
160.12473	1.3
161.09691	2.1
161.13266	15.5
163.11185	14.3
163.14824	26.2
171.11610	1.6
173.13269	5.0
175.11224	2.2
175.14856	25.5
177.12788	5.6
177.16389	41.8
185.13156	2.1
187.14809	15.5
189.16402	18.9
191.17946	13.9
199.14845	3.4
201.16444	7.2
203.17970	100.0
204.18387	2.9
205.15889	53.2
205.19537	5.2
213.16348	2.4
215.17964	3.8
217.15910	1.4
217.19516	3.4
219.17470	5.4
227.40395	1.4
229.19633	2.1
231.17476	6.0
231.21024	1.7
233.19058	2.0
241.19576	1.6
243.21196	1.4
245.18973	1.8
248.30042	1.5
255.21046	1.6
271.20697	1.8
324.97269	1.2
349.24612	1.3
381.35083	2.4
391.33569	9.8
409.34686	74.6
410.34961	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90406	1.2
51.61324	1.0
53.03964	1.3
55.05511	11.7
57.07077	1.7
60.22712	1.3
67.05511	17.5
69.07074	20.1
71.18349	1.8
71.18687	2.5
79.05492	13.5
80.59095	1.1
81.07060	33.3
83.08633	11.7
91.05480	15.2
93.07057	41.1
95.04956	2.0
95.08614	62.0
97.10177	3.7
102.79062	1.4
105.07037	31.6
107.08604	69.0
109.06507	1.3
109.10170	38.1
111.11684	1.8
117.07027	3.1
119.08591	37.6
121.10155	59.4
123.11732	11.4
131.08600	10.3
133.10147	32.0
135.08051	9.5
135.11696	22.5
136.69151	1.2
137.13312	2.4
143.08620	1.8
144.09328	1.4
145.10144	17.6
147.11690	23.8
149.09650	2.5
149.13275	36.7
157.10168	3.8
159.11705	11.5
161.09656	1.5
161.13268	15.4
163.11160	8.2
163.14850	25.6
165.57536	1.4
171.11665	2.9
173.13336	5.0
175.11258	3.7
175.14845	30.2
177.12820	4.2
177.16393	44.5
185.13310	3.1
187.14813	19.4
189.16403	18.1
191.14326	2.0
191.17955	9.9
199.14809	2.2
201.16411	6.2
203.17969	100.0
204.18289	2.1
205.15897	63.5
205.19603	4.9
213.16472	3.2
215.18077	4.9
217.19400	1.5
219.17415	7.4
227.18053	1.9
229.19516	2.5
231.17468	4.5
231.21127	2.3
231.86777	1.2
233.15373	2.0
233.18967	1.9
241.19524	1.6
243.21083	1.6
245.19101	1.6
255.20996	1.8
381.35220	3.7
391.33636	5.5
409.34775	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.3
56.92044	1.3
57.00851	1.2
57.07076	2.3
67.05511	12.0
69.06766	1.8
69.07079	17.3
71.59650	2.3
71.60026	2.0
78.49303	1.3
79.05502	10.4
81.07069	30.0
83.08615	6.0
84.32522	1.4
91.05494	9.0
93.07059	25.5
94.11161	1.7
95.08616	38.9
97.10208	2.2
105.07048	22.6
107.08611	41.5
109.10172	16.1
111.08115	2.0
117.07035	5.2
119.08593	22.8
121.10156	28.5
123.11723	7.8
131.08582	10.7
133.10146	18.6
135.08076	2.3
135.11705	17.5
137.09613	2.1
137.13261	9.5
143.08583	6.6
145.10135	17.9
147.11711	17.0
149.13278	25.2
155.08545	1.8
157.10158	9.0
159.11725	12.0
161.13272	10.3
163.14845	37.4
171.11740	6.4
173.13310	9.9
175.14874	11.2
177.16422	13.2
179.14351	1.8
183.11700	2.5
185.13266	4.5
187.14845	18.3
189.16394	11.3
191.18040	4.2
199.14981	7.0
201.16504	8.2
203.17964	18.3
205.15938	4.6
207.17535	2.3
211.14894	2.4
213.16425	6.7
213.35254	1.4
215.17972	12.9
217.15849	1.9
217.19530	1.9
219.17476	3.6
225.16338	3.3
227.17897	8.7
229.19518	8.4
231.21164	2.2
239.17975	3.2
241.19537	8.4
243.20975	7.0
253.19551	3.8
255.21120	18.1
257.22699	4.5
259.20630	3.1
267.21179	3.4
269.22641	13.3
280.12424	1.7
285.22208	15.3
295.24133	2.3
308.92566	1.5
391.33618	15.7
409.34714	100.0
410.34857	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	409.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.05513	11.2
57.49912	1.7
60.67423	1.3
65.84616	1.3
67.05507	20.0
67.31620	1.2
69.07066	13.0
71.43806	1.9
71.44141	1.4
79.05504	20.0
81.07062	40.8
83.08624	5.3
85.06522	1.6
87.42831	1.2
91.05486	15.7
93.06468	1.9
93.07055	29.4
95.04971	5.0
95.08615	82.6
96.08956	1.4
97.06510	3.6
97.10174	4.2
105.07047	27.2
107.04980	1.6
107.08604	89.0
109.06528	3.8
109.10169	31.9
111.08073	3.9
111.36712	1.3
115.05460	1.8
117.07037	2.8
119.08591	51.5
119.09442	2.5
121.06515	6.9
121.10162	34.7
123.08061	7.7
123.11730	7.2
125.09650	3.5
129.07031	3.0
130.07779	2.0
131.08582	13.8
133.06503	3.4
133.10149	25.2
135.08075	12.9
135.11705	13.2
137.09628	4.4
137.13251	1.9
142.07849	1.7
143.08546	9.0
144.09328	2.6
145.10141	22.3
147.08029	4.2
147.09105	1.4
147.11693	15.9
149.05997	4.0
149.09644	3.3
149.13280	10.8
151.11180	2.2
153.08241	1.3
153.09151	13.7
155.08511	2.9
156.09343	3.1
157.10156	12.1
158.10933	3.1
159.08098	2.6
159.11713	23.6
161.09607	13.1
161.13275	14.6
163.11205	2.4
163.14822	12.6
169.10129	4.8
170.10875	2.2
171.11665	12.5
173.09613	3.3
173.13275	19.7
175.11205	4.8
175.14832	22.4
177.12808	2.7
177.16434	16.9
183.11723	4.5
185.13327	8.9
187.11176	3.3
187.14870	19.2
189.12842	6.8
189.16412	7.6
191.14374	5.2
193.12296	6.1
195.11746	3.6
196.12465	1.6
197.13275	5.8
199.14870	10.9
201.12790	5.1
201.16399	12.3
203.12646	2.6
203.14354	26.8
203.17918	3.9
207.13893	2.1
209.13263	2.3
211.14790	3.7
213.16289	7.0
215.14429	5.0
215.18039	4.2
217.15904	5.1
219.13840	34.8
219.17233	2.5
221.15407	4.4
225.16396	4.4
227.14351	2.1
227.17935	4.7
229.15848	2.5
229.19568	2.1
231.17317	2.1
233.15407	5.4
235.17073	1.5
239.18024	2.9
241.19601	1.9
243.17470	2.6
245.15410	3.8
247.17091	2.2
251.18153	1.8
253.19537	3.4
255.21133	8.0
257.22812	2.1
267.21054	4.7
271.17010	2.0
281.18863	1.6
285.18399	2.4
293.22464	1.8
295.20624	1.6
313.21741	3.2
321.22327	1.7
329.24771	2.2
339.23190	4.0
353.24841	2.0
363.30515	8.3
381.31873	1.8
391.29922	16.7
409.31021	100.0
410.31369	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.0
51.38840	1.7
51.79340	1.5
53.03933	3.7
54.67048	1.9
55.05514	19.2
57.03415	1.8
57.07067	5.8
59.04985	2.9
67.05511	23.9
69.03421	6.9
69.07069	13.3
69.44318	4.7
69.44735	10.9
79.05499	26.0
81.07062	39.8
83.04978	3.2
83.08650	3.1
85.06527	2.8
91.05489	36.5
93.07053	48.0
95.04974	42.7
95.08607	40.7
96.08885	1.6
97.06541	5.3
97.10159	2.4
98.20753	2.5
103.05489	3.3
104.05375	1.6
105.07037	100.0
107.04929	2.5
107.08599	34.0
109.06522	7.6
109.10174	22.1
110.68918	1.7
111.08111	2.8
112.06039	1.7
115.05494	2.4
117.07037	13.2
119.08584	71.4
120.08902	2.4
121.06496	14.6
121.10143	29.6
123.08060	13.3
123.11707	6.3
128.06230	3.9
129.07005	8.1
130.07738	2.5
131.08594	21.8
133.06456	4.5
133.10138	21.5
135.08066	10.8
135.11652	9.4
137.05972	2.0
137.09619	6.9
141.06960	3.0
142.07793	8.4
143.08575	13.9
144.09331	2.2
145.10139	40.6
147.08052	15.3
147.10643	3.5
147.11702	40.9
149.09636	10.5
149.13249	8.3
151.07552	16.9
153.09108	1.7
153.56509	2.0
155.08539	4.9
156.09317	3.0
157.10126	20.9
159.08061	3.5
159.11737	17.1
161.09647	5.2
161.13312	9.9
163.11125	2.9
163.14842	8.4
165.01855	2.5
165.09151	24.4
167.08611	2.7
168.09354	2.2
169.10101	7.2
170.10785	2.2
171.11690	7.5
173.09584	2.4
173.13281	11.2
175.11197	25.0
175.14848	7.2
177.09122	2.7
177.12727	2.1
177.16386	6.7
181.10101	3.6
183.02872	2.2
183.11720	9.5
185.13249	5.5
187.11165	3.7
187.14806	9.4
189.12741	2.7
189.16382	6.0
191.14426	1.9
191.17995	3.2
193.10132	2.9
195.11736	3.9
197.13312	4.9
199.14833	3.2
201.12779	6.9
201.16411	7.8
203.14340	10.3
203.18037	10.2
205.15984	3.2
207.13792	5.1
209.13394	2.9
209.15436	2.6
211.11179	2.1
211.14853	5.2
213.12762	2.7
213.16385	5.1
215.17946	4.0
219.13794	4.0
221.13441	2.1
221.15361	43.9
227.17938	4.1
229.15897	5.3
229.19395	2.8
231.13922	2.4
233.15431	2.9
234.16193	14.6
241.19510	4.2
253.15797	2.1
255.21091	3.2
286.19266	3.0
287.20142	4.9
297.91153	1.9
300.20862	4.0
329.21045	4.8
391.26190	2.9
404.10617	2.2
409.27301	30.7
409.34604	20.6
410.27512	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
54.65225	2.0
55.05514	22.2
57.07071	9.9
59.05008	3.1
65.03927	3.5
67.05170	2.7
67.05511	35.5
69.03445	7.3
69.07073	37.4
69.55762	14.8
79.05500	33.1
81.07060	83.1
83.04961	3.8
83.08611	15.5
83.66376	2.2
85.06543	3.6
91.05482	44.3
93.07046	62.0
93.69164	1.9
95.04971	43.3
95.08611	80.0
96.09958	2.4
97.06547	9.9
97.10206	6.8
103.05505	4.5
104.70826	2.5
105.07037	100.0
107.08598	59.3
108.05602	2.1
109.06493	10.8
109.10164	51.4
111.08099	3.3
111.11699	4.1
115.05446	3.3
117.07039	13.5
119.04918	2.4
119.08588	74.4
121.06509	12.3
121.10147	50.7
123.08073	20.1
123.11712	26.3
128.06244	4.4
129.07039	9.9
130.07797	4.3
131.08588	25.6
133.10143	38.4
134.15553	2.4
135.08089	11.7
135.11658	19.7
137.09615	7.1
137.13268	11.0
139.11206	4.1
141.07036	2.8
142.07741	11.4
143.08548	17.8
144.09299	4.8
145.10133	42.0
145.86093	2.7
147.08047	12.7
147.11688	50.4
149.09637	10.9
149.13290	19.2
151.07574	19.6
151.14856	3.4
154.07819	2.3
155.08540	7.9
156.09340	4.0
157.10139	21.7
159.08083	6.3
159.11685	29.0
160.08743	2.6
161.09581	7.3
161.13271	16.6
163.11246	4.9
163.14836	15.9
165.09145	26.5
167.08560	3.4
168.09319	4.7
169.10132	14.9
170.10843	2.7
171.11678	11.1
173.09714	5.4
173.13255	20.9
175.11195	16.1
175.14816	15.7
177.16389	9.7
178.09882	3.0
181.10167	7.0
181.15874	3.2
183.11723	9.8
185.13249	7.4
187.11238	3.8
187.14853	13.6
189.12770	5.4
189.16374	12.4
191.18007	9.3
195.11719	3.3
196.12508	2.7
197.13310	3.7
199.14894	3.7
201.12796	8.1
201.16373	13.4
203.14235	11.0
203.18050	12.9
207.13821	7.1
209.13326	3.3
209.15318	2.9
211.14853	6.1
213.16463	4.5
215.14354	2.8
215.18040	6.3
217.19626	6.5
219.13866	5.1
221.15373	50.2
223.14601	5.0
225.16328	2.5
227.18005	3.3
229.15919	3.6
229.19499	3.3
231.21239	3.5
234.16151	8.8
241.19522	3.7
255.21053	3.0
257.22662	5.4
258.13824	2.3
271.24240	5.6
283.24298	3.0
285.25659	3.1
286.19174	2.8
287.20105	5.2
299.27240	2.5
300.20728	2.6
329.21201	3.5
391.26236	6.2
409.22690	1.7
409.27374	45.8
409.34250	16.8
409.39026	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01883	2.2
55.05516	24.3
57.07074	8.1
65.03949	2.8
67.05511	38.8
67.72573	2.1
69.03431	6.2
69.06715	3.4
69.07075	41.3
71.08625	3.4
77.05379	2.2
79.05486	29.3
81.07063	88.5
81.10242	2.2
83.05000	3.8
83.08613	12.5
85.04813	2.2
91.05484	32.6
93.07053	68.0
95.04984	33.0
95.05568	3.9
95.08612	100.0
95.39947	2.1
97.06528	8.0
97.10174	7.4
98.20708	4.9
105.07040	99.1
107.08602	67.3
107.66500	1.8
108.34491	1.9
109.06529	11.6
109.10165	53.6
111.08086	4.3
111.11734	3.9
112.85380	2.1
117.07018	11.3
119.08593	77.9
121.06528	13.5
121.10149	46.2
123.08080	13.7
123.11702	25.5
128.06232	3.3
129.06990	7.5
130.07758	3.1
131.08559	24.4
132.09375	2.4
133.06557	4.6
133.10135	38.5
135.08067	12.2
135.11717	25.4
137.05966	2.6
137.09612	7.5
137.13261	13.1
141.06993	4.0
142.07809	11.3
143.08604	17.2
144.09341	3.4
145.10136	41.2
147.08102	14.8
147.11699	42.3
149.09624	7.0
149.13292	25.4
151.07556	19.8
153.07097	2.3
155.08575	6.7
156.09360	4.7
157.10117	17.7
159.08070	3.3
159.11705	24.8
161.09639	6.3
161.13290	16.9
163.11140	2.9
163.14854	14.7
165.09099	17.7
165.16414	3.2
167.08539	3.2
169.10178	8.5
170.10867	2.9
171.11752	12.4
173.09598	3.0
173.13287	17.5
175.11246	16.6
175.14815	11.6
177.09201	2.8
177.16403	12.1
178.09865	2.3
181.10254	2.1
181.12245	4.1
183.11710	13.5
185.13281	8.6
187.11279	2.5
187.14833	15.6
189.12740	6.3
189.16409	10.9
191.17931	6.8
195.11760	3.9
196.12465	2.9
197.13290	2.7
199.14853	5.3
201.12804	8.1
201.16455	14.5
203.14319	11.8
203.17967	14.2
205.19501	3.6
207.13805	6.3
209.13315	2.6
211.14836	7.0
213.12921	3.0
213.16376	6.1
215.17961	10.1
217.19569	9.2
219.13756	4.0
221.13298	4.1
221.15361	39.1
223.14929	2.6
225.16370	3.8
227.18002	3.6
229.07204	2.4
229.15923	3.3
229.19490	6.7
231.21153	4.9
234.16121	8.1
243.21112	4.0
245.22652	3.2
255.21053	4.1
257.22726	5.2
259.24118	5.1
269.22476	2.7
271.24347	3.0
285.25641	4.2
286.19376	3.5
287.20065	7.0
300.20807	5.5
329.21127	2.4
391.26550	4.3
409.27295	36.1
409.34384	9.9
409.38763	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13893	14.7
71.59035	25.1
79.03580	18.0
94.55145	14.6
118.06542	21.1
123.65239	14.6
146.06010	70.4
188.07098	100.0
205.09731	47.1
275.78931	16.5
277.00278	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01863	4.8
55.05510	20.4
57.07076	8.5
58.84011	1.6
59.05007	3.6
65.03933	2.3
67.05511	24.7
69.03432	8.5
69.07080	16.1
71.04992	2.8
71.59595	2.1
79.05499	29.6
81.03461	2.5
81.07059	42.4
82.52481	1.7
83.04987	7.6
83.08620	7.2
91.05486	40.7
93.07049	60.9
95.04976	48.8
95.08616	49.9
97.06521	9.6
103.05469	4.9
105.07035	100.0
107.04949	2.5
107.08604	38.2
108.08960	1.9
109.06528	13.2
109.10155	21.9
111.08074	4.2
115.05441	2.9
117.07018	15.3
119.08583	70.8
120.09359	2.3
121.06517	16.1
121.10149	29.0
123.08069	18.2
123.11732	4.9
128.06226	7.4
129.06993	11.4
130.07767	2.7
131.08586	26.3
133.06525	3.2
133.10135	34.8
135.08073	11.2
135.11710	14.3
137.09613	11.7
137.13272	3.0
141.06993	4.1
142.07793	11.5
143.08562	23.2
144.09360	6.3
145.06511	2.2
145.10135	46.2
146.10939	1.9
147.08061	18.6
147.11682	46.4
148.08766	2.1
149.09645	10.2
149.13255	14.8
150.10217	1.7
151.07553	18.2
153.09143	2.7
153.12769	2.3
155.08598	10.8
156.09364	5.0
157.10147	24.6
158.10855	2.2
159.08089	8.6
159.11699	21.2
161.09601	8.4
161.13251	7.8
163.11212	4.7
163.14848	12.2
165.09122	35.4
167.08565	3.9
167.36264	1.9
168.09351	5.5
169.10098	13.0
170.10938	3.6
171.11696	9.9
173.09628	5.5
173.13292	9.9
175.11192	23.8
175.14774	8.7
177.16391	6.8
179.08655	3.3
181.10155	6.2
181.12328	2.6
182.10948	3.5
183.11720	12.9
185.09718	3.8
185.13278	8.6
187.11212	3.8
187.14836	7.2
189.12769	6.4
189.16409	6.4
193.10152	2.0
194.11003	2.0
195.11763	2.4
197.13327	3.9
199.11209	4.1
199.14836	4.2
201.12802	8.9
201.16423	7.1
203.14348	15.5
203.17987	7.9
205.15907	5.5
207.11816	4.2
207.13838	9.1
209.13335	4.0
209.15317	3.6
211.14851	6.0
213.12700	2.8
213.16432	8.0
215.14487	2.6
215.17960	6.4
217.19664	3.1
219.13779	4.3
221.13417	2.8
221.15375	71.0
223.14772	3.5
225.16444	2.6
227.17912	3.1
229.15907	5.4
229.19661	2.0
231.13829	4.5
233.15407	2.6
234.16171	12.0
235.14888	2.2
241.19560	4.8
243.21149	5.5
253.15797	2.7
255.21164	7.1
261.69708	2.4
267.21036	2.4
269.22751	2.6
270.08408	1.8
271.16818	2.5
278.71289	1.6
286.19385	2.6
287.20120	9.1
300.20911	4.2
329.21228	5.3
335.20001	1.9
351.30273	1.8
391.26321	5.6
391.33606	4.4
394.10260	2.1
408.11682	2.5
409.13187	13.6
409.27310	39.0
409.34616	36.9
410.13531	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	409.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18063	1.4
56.96569	22.6
61.38969	1.4
67.00063	1.3
69.03435	2.2
69.95078	3.9
69.95493	4.9
70.06609	1.7
70.85981	1.3
81.03454	1.5
84.96040	5.6
85.02910	5.8
90.41101	1.3
93.29479	1.4
97.02917	2.6
98.97590	100.0
110.97593	10.2
112.99058	2.3
115.04007	1.5
116.97808	3.0
116.98635	54.1
119.01934	3.4
123.05499	1.5
123.83791	1.5
127.03928	2.5
128.98605	13.6
131.00172	4.0
134.99667	16.4
140.00232	2.1
143.00171	2.8
143.01930	1.6
144.98137	2.0
145.01744	3.6
146.99690	8.3
147.03339	3.5
147.04356	1.5
152.98691	1.6
155.01927	1.8
158.99666	37.0
159.03267	1.8
161.01247	3.4
161.02919	2.4
162.99139	1.6
163.02762	3.5
165.00754	1.8
165.04391	3.9
170.99658	5.5
171.03302	3.6
172.97832	1.5
177.00728	42.4
183.61819	1.5
186.04413	1.7
189.00745	6.5
189.02783	2.2
189.04289	10.9
193.03848	2.7
195.01784	3.4
200.02280	1.9
201.00687	4.2
207.01875	1.8
207.05435	2.4
219.01758	21.3
221.50433	1.5
226.03717	2.2
231.05399	2.8
237.02824	35.6
247.04880	2.5
279.03979	2.2
291.07492	22.2
293.10886	3.1
307.07202	2.5
309.08554	74.6
332.10153	4.2
349.08038	13.0
367.09360	1.8
391.09061	22.1
409.10333	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
55.01859	6.0
55.05509	4.0
57.03433	6.5
61.02916	6.4
65.24179	1.8
67.05501	4.0
68.20797	2.1
68.63137	2.2
68.99795	4.4
69.03082	2.7
69.03438	39.4
69.07075	17.4
70.10706	4.3
70.11111	6.5
71.04993	5.8
73.02903	8.2
79.05457	2.0
81.03426	27.6
81.07055	7.1
83.08616	3.1
85.02909	100.0
85.06540	8.9
87.00841	43.9
90.84889	1.9
91.05441	4.3
93.07032	3.3
95.08603	6.0
97.02903	29.1
99.04449	12.5
105.01178	3.3
105.01874	54.8
105.07025	8.0
107.08570	7.2
108.04437	2.8
109.02882	33.1
109.10204	4.6
117.01835	2.5
119.08555	5.8
120.08945	2.3
121.10152	4.6
127.03926	70.1
129.01877	4.3
133.10155	3.2
135.11653	3.4
135.47354	1.9
143.14330	11.8
145.04970	31.3
145.10130	6.9
145.46872	2.2
147.02893	2.5
147.11725	2.7
149.13297	5.1
157.10237	2.9
159.02917	19.2
159.11673	3.6
160.12097	2.5
162.71588	2.1
163.03909	2.4
173.13248	4.0
175.14952	2.0
178.79987	1.9
187.14822	4.6
188.15143	6.1
189.03983	4.2
201.16368	3.5
202.16716	2.4
206.16206	2.9
213.04050	3.7
231.05013	18.6
249.05939	4.2
337.16724	2.7
408.33423	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	408.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.01875	6.4
55.05511	15.4
56.57590	3.6
57.03434	5.5
57.07074	11.2
61.02936	7.8
67.05508	14.9
68.99796	5.7
69.03445	40.6
69.07080	74.6
71.04995	7.4
71.20840	6.7
73.02918	10.6
79.05502	11.3
81.03426	32.1
81.07064	17.8
83.08633	55.5
85.02917	100.0
87.00839	50.7
91.05488	9.3
93.07063	15.2
95.05003	5.1
95.08607	17.9
96.08982	3.8
97.02900	40.5
97.06546	20.8
99.04485	20.5
99.08090	7.4
99.18764	3.2
105.01889	51.7
105.07043	17.2
107.08588	18.9
108.04502	3.7
109.02899	27.4
109.10165	13.6
111.04488	6.1
111.08110	8.1
117.07017	5.7
119.08589	26.6
120.08930	10.8
121.06539	5.9
121.10152	15.2
122.10452	4.0
123.08099	5.2
123.11713	9.5
124.01400	3.4
125.09669	5.9
125.13298	20.6
127.03055	6.8
127.03940	64.7
127.11250	4.8
129.01868	4.0
129.06992	3.8
131.08591	10.2
133.10132	12.3
134.10529	5.5
135.08055	8.3
135.11729	10.4
137.09570	4.2
137.13333	4.8
142.07796	5.0
143.08643	4.9
143.14346	16.7
145.04967	27.8
145.10143	12.3
146.10506	7.6
147.02893	7.4
147.11688	9.5
148.12111	3.7
149.09662	5.1
149.13277	4.9
153.12814	6.3
155.08632	4.8
157.10149	15.1
159.02888	13.7
159.11742	12.1
160.12114	4.8
161.09660	4.4
161.13266	7.4
171.11674	5.1
172.11983	6.3
173.13332	13.4
174.13701	7.8
175.03787	3.3
175.11211	15.3
183.11810	3.6
184.33916	3.4
185.82648	3.6
187.14867	7.0
188.15211	3.6
189.04008	9.0
189.12796	4.1
193.12317	4.3
197.13303	6.2
201.16498	7.0
202.16733	7.7
205.15897	3.6
206.16304	3.5
215.14323	10.0
231.05074	19.4
233.15463	12.4
252.34970	3.6
295.06104	4.4
337.16516	14.6
355.17664	6.0
408.29001	7.7
408.34116	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	408.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96122	0.7
52.05128	0.7
53.03954	1.1
55.05513	27.4
56.05041	1.1
58.99321	1.3
58.99587	15.8
61.01152	1.3
62.45398	0.8
69.07047	0.8
69.58188	2.5
69.58591	2.7
71.04977	0.8
73.01127	2.2
76.02222	6.3
76.04005	1.9
81.07064	2.2
83.04966	0.8
83.06102	2.1
83.08623	40.8
84.04511	18.9
85.02905	1.1
86.99064	13.7
88.02216	4.2
91.05463	1.1
99.05554	1.5
101.09650	2.0
107.08589	1.2
115.05813	1.6
116.01682	56.2
120.08125	1.5
124.07591	2.0
129.06577	3.4
129.07413	1.9
129.10265	0.9
130.05016	4.7
133.10141	1.9
141.07399	1.4
142.03250	4.4
144.01149	28.5
145.06104	1.4
159.08405	28.3
160.06375	1.3
160.07600	13.2
162.02209	100.0
173.04462	1.1
176.11050	3.1
179.04884	1.0
193.12192	1.2
205.09000	1.6
244.09947	2.3
245.06001	1.3
253.81071	0.9
262.11099	47.4
279.13763	15.8
292.11792	0.8
333.14841	17.3
391.15213	1.0
408.12958	0.9
408.18021	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	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03939	1.9
55.05510	12.1
56.07197	1.2
57.07074	5.9
67.05513	20.3
69.07071	24.8
71.04993	1.6
71.08628	1.6
71.59731	1.4
79.05511	13.8
81.03400	1.3
81.07063	50.5
83.08618	8.8
91.05485	12.2
93.07057	24.1
95.04966	2.1
95.08611	74.1
96.09003	1.2
97.06551	1.8
97.10185	6.5
105.07031	24.0
107.05017	1.3
107.08604	35.5
109.10162	41.7
109.10905	2.2
111.11720	2.0
117.07026	3.8
119.08584	30.5
119.09441	1.5
121.10146	26.2
123.11713	17.4
127.86695	1.4
129.07018	4.9
130.07841	1.2
131.08582	10.8
133.10136	20.6
135.11694	15.8
137.13271	14.7
142.07817	1.5
143.08540	7.8
144.09430	1.5
145.10115	20.9
147.11685	20.0
149.13266	19.6
151.14839	2.8
155.08664	2.0
156.09392	2.1
157.10143	10.6
159.11703	23.3
161.13272	17.6
163.14841	9.7
166.81641	1.2
169.10170	3.5
171.11716	8.5
172.12546	1.4
173.13275	15.0
175.14862	10.2
177.16374	7.8
181.10170	1.6
183.11742	4.0
185.13272	10.9
186.14088	1.5
187.14851	15.5
189.09167	1.8
189.16376	13.2
191.17960	15.2
197.13327	4.1
199.14792	9.5
201.16403	15.6
203.17976	18.7
205.19600	4.3
209.13377	1.3
211.14867	4.0
213.16409	9.8
214.17227	1.3
215.17970	11.9
217.19498	8.4
225.16489	2.7
227.18022	5.0
229.19505	9.4
231.21227	2.5
239.18001	3.6
241.19580	5.2
243.21158	3.4
245.22852	1.7
253.19630	4.5
255.21129	11.7
257.22665	29.9
267.21167	2.4
269.22626	13.5
271.24249	3.7
272.38385	1.2
279.21088	1.6
281.22791	2.3
283.24240	4.9
295.24277	3.5
297.25882	4.9
309.25742	1.8
311.27295	2.7
315.19629	2.8
323.27444	2.6
325.29007	1.8
337.29025	4.0
351.30511	2.6
364.31076	2.0
365.32309	1.9
407.36868	100.0
408.37106	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	408.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.05516	35.2
57.03406	0.7
58.99587	15.4
61.01136	1.0
67.05506	1.1
70.02947	0.7
70.06583	2.3
71.04989	1.3
71.11144	1.3
72.08148	0.8
73.01137	1.9
76.02230	7.8
76.04001	3.3
79.05498	1.4
80.05029	0.7
81.03426	1.4
81.07050	1.9
83.06110	1.9
83.08624	43.0
84.04508	22.1
84.08163	0.8
85.01155	1.1
85.02894	1.2
86.09701	2.9
86.99059	12.2
88.02210	3.0
91.05484	1.5
94.22520	0.7
97.02916	0.6
99.02677	0.9
99.05585	1.6
99.08032	0.7
101.09643	1.5
103.02116	1.0
105.07044	0.9
107.08600	2.3
115.05782	1.3
116.01685	60.2
120.08113	4.7
124.07601	2.3
126.05523	1.7
129.06506	3.4
129.07437	1.8
129.10291	0.7
130.05025	5.6
133.10127	1.5
141.07272	0.8
142.03210	4.3
142.63437	0.7
144.01151	28.3
145.06110	1.2
147.11812	0.6
159.08400	38.6
160.07594	2.6
162.02213	100.0
170.02722	0.9
176.11049	3.8
179.04802	1.1
187.07735	0.8
205.09000	1.5
221.05846	0.7
233.16516	1.4
244.09972	1.6
245.05914	1.1
262.11102	47.1
263.11453	1.0
273.08142	1.3
279.13736	18.1
280.13794	0.7
295.06067	0.9
333.14841	10.6
337.03873	1.0
408.13156	1.0
408.18039	2.8
409.11014	2.3
409.18359	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	407.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41898	1.8
53.03964	2.8
55.05512	15.0
57.07075	7.4
59.14129	1.7
67.05216	2.1
67.05509	21.5
69.07072	46.5
70.72283	2.1
71.37658	3.2
79.05494	12.3
81.06578	4.0
81.07061	81.5
83.08624	14.6
83.82729	1.8
91.05476	10.1
93.07046	30.2
95.08612	64.4
97.10143	6.2
105.07040	27.6
107.08597	31.6
107.72535	1.8
109.10169	45.0
114.08169	2.0
119.08595	30.4
121.10152	28.6
123.11712	26.2
128.06197	2.1
128.44170	2.1
131.08546	11.4
133.10136	19.2
135.11705	20.3
137.13254	11.1
143.08563	7.3
145.10126	20.3
147.11700	18.9
149.13260	16.0
155.08536	2.5
156.09276	2.1
157.10126	10.8
159.11720	29.2
161.13246	15.9
163.14857	7.1
169.10175	3.1
171.11720	10.7
173.13277	20.3
175.14861	12.1
177.16409	8.2
183.11647	2.7
185.13292	9.0
187.14859	13.4
189.16353	9.8
191.18060	2.7
199.14893	5.1
201.16374	11.3
203.17992	5.4
206.61873	2.0
211.14825	2.5
213.16396	11.6
215.17964	11.5
217.19547	4.8
225.16408	3.4
227.17981	9.9
228.18512	2.0
229.19579	11.3
231.21104	2.4
241.19589	3.5
243.21094	4.6
245.22656	2.2
246.59599	1.9
253.19475	2.1
255.21115	6.7
257.22696	5.4
269.22614	6.5
271.24271	5.0
283.24292	5.9
295.24493	2.1
297.25824	5.8
309.25858	2.7
323.27588	3.2
325.28809	5.3
337.28928	3.3
351.30450	4.1
407.36749	100.0
408.36829	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	407.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.2
57.03430	4.6
57.07088	15.7
67.05507	20.8
69.07071	30.6
70.42532	7.8
71.08629	12.2
79.05503	12.6
81.07066	49.5
83.08617	9.9
89.06034	5.3
91.05466	12.3
93.07049	24.2
95.08617	70.3
97.10193	7.3
104.29342	2.9
105.07033	23.7
107.08600	32.6
109.10157	33.8
111.11745	8.3
113.00035	46.1
119.08581	29.2
121.02897	3.6
121.10137	31.3
123.11732	14.0
129.07036	3.7
131.08600	13.9
133.10150	16.2
135.11679	14.3
137.13271	18.8
143.08537	6.8
144.60063	2.4
145.10129	19.1
147.11723	13.9
149.02361	42.0
149.13289	25.6
157.10188	5.5
159.11722	10.9
161.13269	14.8
163.14833	17.7
167.03523	4.2
169.02629	55.0
169.10051	3.6
171.11736	5.0
173.13264	16.1
175.14885	13.7
177.16417	10.3
183.11790	3.2
185.13260	5.8
187.14835	19.7
189.16370	12.1
191.17986	7.0
199.14824	4.5
201.16403	15.7
203.17986	7.6
213.16458	4.7
215.18039	7.0
217.19569	9.5
225.16594	2.4
227.17993	6.9
229.19597	8.6
241.19534	6.7
244.53726	2.5
245.22812	7.3
255.21381	2.9
257.22736	9.9
269.22684	9.1
283.24158	6.2
297.25726	3.6
337.28964	4.3
407.36832	100.0
408.37170	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05512	18.1
57.07064	6.2
65.03931	1.5
65.28236	1.4
67.05171	1.7
67.05505	21.5
69.07072	53.0
70.73393	3.3
71.08631	3.0
78.29556	1.7
79.05495	16.4
81.07063	83.3
83.08636	17.2
89.06048	1.7
91.05479	11.6
91.13097	1.5
93.07053	30.3
93.20592	1.6
93.24115	1.6
95.08615	60.2
97.10163	5.8
105.07040	28.7
107.08604	45.1
109.10165	43.8
111.11723	3.1
117.07002	5.1
119.08585	30.4
121.10156	29.3
123.11722	21.4
129.07065	1.8
131.08566	11.2
133.10123	20.9
135.11699	21.2
137.13293	7.6
140.13747	1.7
143.08589	8.7
145.10136	22.8
147.11684	24.4
149.13268	15.6
151.14792	2.3
157.10156	15.7
158.10901	2.3
159.11719	28.6
161.13280	17.3
163.14796	9.2
169.10167	3.9
171.11690	10.1
173.13255	17.0
175.14807	14.2
177.16364	8.1
183.11723	3.5
185.13293	12.2
187.14828	13.4
189.16428	8.8
191.18001	6.3
197.13416	3.3
199.14874	9.8
201.16429	11.1
203.17967	7.6
211.14838	3.2
213.16440	10.3
215.17931	8.8
217.19536	6.0
225.16272	3.0
227.17920	10.1
229.19449	9.6
231.21146	3.1
231.81735	1.7
239.17970	2.5
241.19551	5.8
243.21306	3.0
253.19565	3.3
255.21100	7.5
257.22629	6.6
269.22726	5.6
271.24307	4.2
279.20819	1.9
283.24188	6.4
285.25885	3.3
295.24164	2.6
297.25812	5.7
309.25748	2.3
317.35406	2.0
323.27319	5.0
325.29065	8.0
336.03076	1.8
337.28882	3.7
351.30511	6.0
407.36752	100.0
408.36722	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03961	1.7
54.96697	1.8
55.05512	11.5
57.07077	17.2
63.03218	1.9
67.05506	21.5
69.07070	26.4
71.08628	12.3
74.37473	1.6
74.64471	1.7
79.05493	13.5
81.07061	51.7
83.08636	9.6
85.10184	5.9
87.65742	1.7
89.06033	26.4
91.05471	14.0
93.07054	34.5
95.04980	1.9
95.08614	67.6
97.10171	7.2
97.96116	2.0
98.21539	2.8
105.07035	33.8
107.08602	38.7
109.10161	51.5
111.11726	5.2
113.00034	17.0
117.07027	2.8
119.08583	36.7
119.09359	3.2
119.78928	1.8
121.10150	51.3
122.10529	1.6
123.11720	20.3
129.07014	2.5
131.08589	8.2
133.08609	11.1
133.10144	25.8
135.11694	25.5
137.13266	12.8
142.07770	3.4
143.08585	5.7
144.09395	2.5
145.10103	23.1
147.11716	21.2
149.13274	17.3
156.09335	2.1
157.10149	8.5
159.11714	26.8
161.13263	21.4
163.14842	15.3
169.02611	10.4
169.10172	3.0
171.11700	8.1
173.13275	12.0
175.14871	11.8
177.16438	9.9
185.13295	7.6
187.14821	11.0
189.16405	15.8
191.17982	11.0
199.14842	4.6
201.16403	12.1
203.18028	16.7
205.19579	3.1
213.16443	4.4
215.17975	9.6
217.19548	17.8
227.17780	2.5
229.09006	1.8
229.19554	5.8
231.21100	3.4
239.14822	3.4
241.19531	3.7
243.21126	5.8
245.22629	2.5
255.21225	4.1
257.22690	5.2
259.24396	2.4
269.22717	8.7
271.24292	2.3
283.24332	11.2
285.25867	3.6
295.24280	2.7
297.25870	2.4
310.23669	2.7
323.27319	3.5
325.28781	3.0
335.18539	2.0
375.22672	2.1
407.36786	100.0
408.37128	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
51.40999	3.3
52.82703	3.0
55.05501	11.6
57.03415	3.9
57.07066	12.5
59.42616	3.7
63.22553	3.0
67.05513	27.2
68.06623	3.1
69.07077	23.4
71.08626	8.1
79.05492	11.5
81.07063	54.1
83.08611	11.0
85.10173	4.5
85.31599	3.6
89.06018	5.6
91.05474	8.0
93.07055	24.1
95.08611	95.0
97.10172	8.0
105.07035	27.4
107.08606	48.8
109.10168	44.7
113.00021	89.6
117.07005	4.0
119.08602	35.6
121.10155	42.0
123.11696	25.2
131.08560	11.3
133.10136	33.2
135.11684	29.5
137.13264	27.8
143.08546	8.0
145.10126	25.3
147.11728	21.7
149.13234	17.8
151.14742	4.5
157.10100	10.4
159.11743	22.7
159.12827	3.8
161.13252	13.0
163.14804	20.2
169.01221	6.1
169.02615	85.8
169.10120	5.1
171.11700	8.6
173.13258	14.4
175.14816	12.3
177.16405	16.8
185.13309	6.2
187.14827	15.7
189.16476	17.4
191.17926	15.9
193.63417	3.3
199.14926	3.9
201.16406	16.7
203.17958	29.3
205.19511	8.0
215.17923	14.5
217.19536	15.1
227.17862	8.3
229.17377	4.3
229.19489	13.9
231.21048	5.7
241.19534	5.6
243.21091	6.2
255.21080	9.9
257.22659	13.7
269.22723	14.2
271.23978	6.0
283.24106	4.8
309.25491	4.5
365.32086	16.0
407.36969	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	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.4
57.07067	3.5
67.05513	13.7
69.03435	2.2
69.07075	14.4
69.58582	8.0
79.05495	12.9
80.03854	1.2
81.07062	25.1
83.04985	1.4
83.08609	8.1
91.05499	14.3
93.07047	27.3
95.04975	2.8
95.08615	52.9
97.10150	3.7
98.20814	2.8
99.08094	5.1
103.05467	1.8
105.07036	34.6
107.07862	2.3
107.08599	48.1
109.06497	1.7
109.09456	1.7
109.10178	24.9
111.08084	1.8
111.11739	1.5
115.05463	2.5
117.07009	8.7
119.08593	62.3
120.08857	1.3
121.10148	41.3
123.08098	2.6
123.11730	10.4
125.09642	2.7
129.07037	4.1
130.07761	2.5
131.08582	32.3
133.10141	36.4
135.08015	2.9
135.11708	18.3
135.82098	1.4
137.09615	5.4
137.13277	4.6
141.06987	1.6
142.07794	1.5
143.08580	10.0
144.09383	4.2
145.10135	56.4
146.10585	2.1
147.11710	21.2
149.09668	2.2
149.13281	15.9
151.11208	2.5
155.08542	1.8
156.09322	1.9
157.10149	14.2
158.10901	7.1
159.08089	1.7
159.11714	35.0
161.13278	15.8
163.11205	23.4
163.14795	9.7
169.10170	3.0
170.11012	3.7
171.11719	13.0
172.12477	2.8
173.13281	28.6
174.13951	1.6
175.11240	3.1
175.14841	26.9
175.16270	2.1
177.16370	24.2
182.10931	1.4
183.11700	5.0
184.12405	1.6
185.13234	14.8
187.14835	60.7
188.15166	2.0
189.16402	17.7
191.14384	3.3
191.17946	12.7
197.13271	4.8
199.14801	10.6
201.16399	62.1
202.16748	2.9
203.14389	1.9
203.18010	9.8
205.15894	63.5
207.17522	4.6
209.13225	3.8
211.14844	5.2
213.16446	11.1
215.14355	1.6
215.18018	6.1
217.15793	2.5
217.19617	2.6
219.17436	3.9
223.14801	2.2
225.16411	2.6
227.17950	6.6
229.19580	3.8
231.17462	3.1
233.19034	2.9
237.16350	2.9
239.17964	2.9
241.19499	4.8
251.18015	3.0
253.19579	2.6
255.21233	2.6
265.19791	1.6
267.21097	2.9
269.22910	1.6
281.22437	1.6
283.20746	1.9
311.23721	1.7
319.24323	2.6
335.27246	1.5
365.28830	1.7
389.31973	9.9
407.33142	100.0
408.33264	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	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22232	1.5
53.03946	2.2
53.84583	1.8
55.05511	10.1
57.07065	3.8
58.49538	1.4
59.64920	1.5
59.80633	1.6
67.05502	14.8
69.03426	1.8
69.07075	17.1
71.08641	2.0
71.58746	2.8
75.75113	1.8
79.05496	13.4
81.07069	30.0
83.08620	11.4
91.05484	21.3
93.07054	31.1
95.08617	57.7
97.10131	2.0
99.08109	3.9
105.07040	39.8
107.08600	62.3
109.06546	2.9
109.10162	27.5
111.08036	2.2
115.05431	2.2
115.41946	1.5
117.07075	9.0
119.08591	80.9
121.06487	3.3
121.10151	48.5
123.08096	2.6
123.11716	14.9
128.06181	2.2
129.07014	4.6
130.07837	3.9
131.08583	46.7
133.10141	39.3
134.18370	1.6
135.08067	3.6
135.11696	19.0
137.09624	6.9
137.13284	2.3
142.07849	2.9
143.08553	12.9
144.09308	4.7
145.10136	72.1
147.11703	21.0
149.09642	2.0
149.13278	18.8
151.11240	3.0
155.08601	1.7
156.09319	3.8
157.10130	16.6
158.10971	5.5
159.11699	47.7
161.13261	16.1
163.11205	26.0
163.14838	12.4
169.10181	5.4
169.40048	1.6
171.11693	18.7
172.12433	4.6
173.13284	38.2
175.14839	33.7
177.12819	3.4
177.16403	27.6
181.10120	2.0
183.11702	8.2
185.13324	13.5
187.14833	78.8
189.12859	2.4
189.16412	21.4
191.14388	3.0
191.18002	3.5
197.13304	6.4
199.14871	13.8
201.16399	100.0
202.16718	2.0
203.17915	8.9
205.15897	75.4
206.16307	2.4
207.17468	10.0
209.50519	1.7
211.14809	4.7
213.16371	16.2
215.17999	6.4
217.15878	1.9
217.19604	2.7
219.17490	3.4
223.14760	1.8
225.16429	3.0
227.17964	5.8
229.19481	3.9
231.17572	2.3
233.19095	3.3
237.16608	2.0
239.17871	2.9
241.19504	3.3
253.19537	3.2
255.21141	3.0
257.19104	2.1
265.19550	2.4
267.21014	2.6
311.23792	2.0
319.23962	2.0
337.25504	2.4
389.32025	5.8
407.33157	88.1
408.33289	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	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.0
55.05511	14.7
57.07071	5.3
63.18406	2.7
65.03932	2.6
65.81119	2.6
67.05514	27.7
69.03418	4.3
69.07072	22.6
70.31400	3.2
70.31733	13.1
79.05506	19.5
81.03407	3.1
81.07069	46.1
83.04967	3.0
83.08614	9.6
84.08119	3.4
91.05481	22.8
91.05974	3.8
93.07059	38.4
95.04971	10.2
95.08617	63.5
96.08945	3.0
97.06525	7.2
97.10186	3.3
105.07037	47.9
107.08604	64.7
109.06512	8.0
109.10168	48.7
111.08050	3.7
115.05441	3.1
117.07053	15.8
119.07788	5.0
119.08584	62.9
121.06533	5.8
121.10154	46.2
123.08070	7.1
123.11722	9.8
125.09659	8.7
128.06233	3.2
129.07014	8.3
130.07779	4.2
131.08585	38.9
133.10127	41.3
135.08060	8.2
135.11702	19.1
135.29163	3.3
137.09634	4.5
137.13243	5.1
141.06981	3.2
142.07869	3.2
143.08586	20.8
144.09253	3.1
145.10139	60.2
147.08032	7.7
147.11732	21.9
149.09621	5.0
149.13307	13.8
151.11153	6.4
155.08588	5.3
156.09351	4.1
157.10141	27.8
158.10889	5.8
159.08017	3.7
159.11708	45.4
161.09654	11.0
161.13245	14.6
163.11241	5.7
163.14828	20.0
169.10144	11.8
170.10825	3.7
171.11719	17.9
172.12370	4.2
173.13272	43.6
175.14864	25.5
177.12747	3.9
177.16446	17.8
183.11676	9.5
184.12271	3.2
185.13249	16.6
186.13641	4.1
187.14848	73.4
189.16431	28.2
191.17940	8.8
195.11650	3.5
197.13303	8.4
199.14812	24.7
201.12721	5.3
201.16389	49.1
203.14398	19.8
203.18021	12.6
205.15929	21.9
209.13251	5.5
211.14827	8.8
213.16432	19.2
214.16734	3.0
215.17960	13.3
217.15881	11.2
219.17461	5.2
223.14639	4.1
225.16458	10.1
227.17946	8.4
229.15881	3.7
229.19627	6.1
231.17538	3.9
237.16377	4.1
239.17978	6.0
241.19540	9.4
249.16229	3.7
250.37259	2.8
251.18001	4.2
253.19450	4.9
255.21217	3.5
267.20993	6.3
268.27893	3.4
281.22479	4.7
337.21780	3.1
347.27377	3.4
361.28732	4.2
389.32010	10.7
406.98721	5.6
407.24823	4.2
407.33368	100.0
408.33612	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	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
53.57677	1.1
55.01870	1.0
55.05517	8.9
57.07061	3.4
65.03924	1.1
67.05508	14.2
69.03423	3.1
69.07073	15.8
71.08624	0.9
71.58737	1.1
78.65986	1.0
79.05499	12.7
81.03389	1.6
81.06578	1.5
81.07059	28.9
81.83067	1.0
83.04963	1.7
83.08624	7.4
85.02929	1.8
85.06533	1.1
87.00823	1.0
91.05479	18.2
93.06464	1.9
93.07050	29.3
95.04984	2.2
95.08613	50.4
97.06536	2.0
97.10178	2.6
99.08102	2.8
105.07036	32.7
107.05007	1.8
107.08601	55.5
109.06538	2.5
109.10162	23.9
111.08127	1.2
115.05443	1.6
116.06216	1.2
117.07033	9.1
119.08588	76.2
121.06519	2.1
121.10152	43.5
123.08025	2.0
123.11734	10.5
125.09651	1.9
127.03947	1.1
128.06271	1.4
129.07008	5.2
130.07790	3.4
131.08575	36.5
132.75630	0.9
133.10136	38.3
135.08049	2.5
135.11685	18.0
137.09630	7.4
137.13278	2.8
139.11153	1.0
141.06911	2.3
142.07794	3.2
143.08557	11.2
144.09343	4.1
145.10135	62.3
146.10666	1.1
147.11688	21.2
149.09644	2.4
149.13255	16.4
151.11185	4.4
151.14859	1.1
155.08527	1.9
156.09384	3.6
157.10149	16.0
158.10880	7.0
159.08110	1.6
159.11699	41.4
161.09669	1.3
161.13272	14.9
163.11177	16.5
163.14839	13.9
165.12749	1.3
167.08566	1.3
169.10136	4.7
170.10936	3.2
171.11702	13.2
172.12488	4.6
173.13278	33.3
175.11314	1.4
175.14835	27.1
177.12825	2.8
177.16403	25.1
181.10188	1.6
182.10970	1.3
183.11745	8.3
184.12469	1.2
185.13289	16.0
187.14836	85.1
188.15205	2.4
189.16409	18.3
191.14369	4.7
191.17928	5.0
193.15709	1.2
195.11609	1.9
197.13275	5.1
199.14828	14.6
200.15268	1.1
201.16394	100.0
202.16716	2.3
203.14366	2.8
203.17946	7.4
205.15891	60.6
207.17447	13.2
209.13338	1.8
211.14822	2.8
213.16394	19.3
215.14391	3.8
215.17982	6.2
217.15916	2.5
217.19516	2.3
219.17422	2.9
223.14851	2.4
225.16437	3.3
227.14311	1.4
227.17969	8.6
229.15985	1.2
229.19537	2.6
231.17432	3.5
233.19061	4.1
237.16429	1.4
239.17912	1.4
241.19609	2.6
243.17473	2.0
243.21115	1.6
245.19028	1.9
251.18015	2.0
253.19669	2.9
255.21043	1.4
257.19073	1.9
265.19681	2.3
267.21133	3.2
269.22546	1.6
271.20685	1.0
279.21146	1.0
293.22726	1.7
311.23792	1.9
313.25369	1.1
319.24155	2.1
335.27344	1.5
337.25369	2.3
351.26889	1.3
365.28488	1.4
389.32132	8.0
407.33160	86.4
408.33261	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	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.3
55.05522	17.0
57.07090	7.1
67.05509	29.5
69.07072	11.7
70.19678	15.0
79.05497	14.7
81.07066	34.8
83.08631	12.9
85.06513	4.7
89.06030	9.3
90.46118	3.5
91.05511	21.7
93.07054	38.4
95.04967	3.5
95.08620	54.7
97.10195	4.6
99.08096	21.4
103.05473	3.6
105.07033	40.6
107.08604	51.8
109.10152	43.9
113.00043	7.3
117.07038	10.4
119.07792	5.7
119.08594	84.3
121.10143	37.2
123.11725	18.6
123.12480	3.1
128.06201	2.9
129.07043	9.0
130.07751	4.3
131.08574	47.1
133.08611	8.5
133.10141	44.5
133.62114	3.3
135.11708	30.5
137.09642	3.7
137.13216	3.6
142.07755	7.5
143.08586	19.2
144.09351	6.9
145.10127	47.2
147.11682	23.3
149.13263	17.4
155.08545	5.7
156.09329	7.7
157.10130	33.2
158.10901	4.1
159.11716	51.5
161.13278	15.4
163.14857	19.7
169.02663	4.8
169.10165	13.3
170.10915	10.4
171.11699	29.6
173.13295	38.8
175.14851	13.5
177.16386	10.8
181.10162	5.3
183.11732	15.3
184.12462	4.7
185.13257	35.7
187.14841	79.5
189.16422	15.3
191.17955	17.3
196.12401	4.1
197.13257	14.0
199.14847	31.7
201.16391	62.6
203.17947	7.2
205.15927	6.3
207.17441	8.9
209.13161	7.6
211.14793	17.7
213.16354	30.0
215.17966	8.9
217.15997	4.8
217.19476	4.0
223.14789	7.0
225.16464	8.6
227.17992	11.6
229.19501	6.1
233.19011	3.6
239.17946	5.4
241.19553	8.5
251.17935	6.4
253.19576	4.0
265.19690	4.7
267.21069	7.8
269.22473	3.5
279.01746	3.6
279.20908	4.8
322.47202	3.6
323.23419	4.6
335.27399	6.6
337.25156	4.3
341.20309	3.9
389.32086	11.6
407.33023	100.0
408.33386	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	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05506	7.6
57.07062	2.2
65.03910	1.7
67.05509	16.6
69.07076	12.1
69.17942	1.0
70.20503	3.0
79.05502	13.8
81.07059	23.6
83.05006	1.8
83.08619	7.5
85.06559	1.8
87.46646	1.1
91.05482	19.4
92.79772	1.1
93.07046	27.6
95.04995	1.5
95.08613	64.4
96.08903	1.4
97.10191	2.6
98.20742	1.3
99.08111	7.9
104.86998	1.2
105.07037	43.7
107.08601	59.3
109.10165	26.2
111.08142	1.4
117.07008	7.8
119.08586	51.0
121.10149	47.5
123.08053	2.1
123.11696	11.2
125.09661	3.5
129.07001	3.7
130.07816	1.8
131.08572	20.6
133.10139	37.0
135.08127	1.2
135.11700	24.5
137.09680	1.9
137.13254	2.8
139.11172	1.5
142.07794	2.8
143.08566	9.5
144.09358	2.9
145.10136	37.3
147.11699	23.5
147.12798	2.3
149.13258	11.8
151.11203	2.5
155.08549	3.2
156.09378	3.3
157.10162	15.0
158.10910	2.6
159.11713	28.8
161.13268	18.2
163.14844	8.4
169.10181	5.1
170.10960	2.0
171.11690	15.3
172.12477	2.9
173.13278	26.2
175.14824	28.0
177.16386	24.9
181.10063	1.5
183.11699	7.6
185.13264	11.9
187.14830	33.7
187.16438	2.4
189.16409	20.6
191.14398	1.6
191.17961	17.7
195.11749	2.9
197.13208	6.2
198.14188	1.3
199.14796	11.2
201.16408	28.5
203.14340	1.3
203.18011	7.1
205.15846	7.6
207.17513	3.1
209.13312	3.3
211.14835	6.8
213.16403	13.1
215.17984	21.1
217.19543	4.9
221.13335	1.5
223.14758	2.6
225.16364	4.0
227.17958	7.7
229.19554	6.1
233.19116	2.3
237.16325	2.4
239.18045	3.6
241.19514	5.9
243.21196	1.9
245.18915	3.4
253.19644	2.7
255.21191	1.8
257.18958	1.7
257.22733	1.5
265.19464	1.9
267.21014	2.7
269.22635	2.7
279.21140	2.0
283.24078	1.3
286.57349	1.2
295.24335	3.5
305.22699	2.3
311.23755	1.3
313.25323	1.4
319.24332	2.8
335.27322	11.8
337.25409	1.8
351.26883	1.9
365.28555	1.7
379.33691	3.9
389.32214	14.4
407.33130	100.0
408.33408	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	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.2
54.70719	1.0
55.05507	11.8
57.07064	3.9
65.03953	1.4
67.05508	20.0
69.03425	1.2
69.07072	14.1
70.94756	2.4
71.08621	1.1
76.35976	1.0
79.05499	11.6
81.03429	1.5
81.07064	31.0
83.04983	3.7
83.08622	8.1
85.06580	1.4
91.05484	17.4
91.77654	1.1
93.07052	31.4
95.04964	3.4
95.08614	53.9
97.06538	1.5
97.10167	2.0
99.08096	4.2
103.01598	1.1
105.07037	39.5
105.07763	1.9
107.08602	45.5
109.06551	2.8
109.10158	24.8
111.08108	2.7
111.11752	1.2
117.07010	7.8
119.08587	64.2
120.09052	1.1
121.06481	1.5
121.10152	35.0
123.08086	2.5
123.11711	10.7
125.09650	1.2
127.85572	1.1
129.06985	3.4
130.07814	2.0
131.08574	36.5
133.10138	31.1
135.08031	2.0
135.11700	18.6
137.09569	5.5
137.13278	4.8
141.06964	1.8
142.07748	3.3
143.08580	12.1
144.09320	1.7
145.10129	52.9
147.11707	18.1
149.09647	1.4
149.13263	13.6
151.11214	2.3
154.07761	1.2
155.08562	3.9
156.09308	2.4
157.10123	15.8
158.10942	3.5
159.11691	32.2
161.09558	1.5
161.13268	13.5
163.11221	9.1
163.14825	10.2
165.12831	1.8
167.08563	1.3
169.10083	6.9
170.10881	2.4
171.11719	16.0
172.12375	3.2
173.13266	24.8
175.11203	1.7
175.14841	18.7
177.05534	1.2
177.12772	2.5
177.16359	8.6
181.10141	1.6
182.10944	2.5
183.11717	8.4
184.12439	1.1
185.13283	15.0
187.14832	79.4
188.15265	1.7
189.12770	1.1
189.16405	15.0
191.14304	2.4
191.17924	6.1
195.11833	3.2
196.12589	1.4
197.13280	4.3
199.14844	13.0
201.16397	54.6
202.16792	1.9
203.14351	2.5
203.17941	6.4
205.15883	14.5
205.19507	1.6
207.17432	6.3
209.13297	4.9
211.14851	6.9
213.16357	9.3
215.14342	2.5
215.17964	8.5
217.15935	2.7
217.19579	2.9
219.17502	1.6
221.13293	1.5
223.14771	5.2
225.16380	4.4
227.17947	9.1
229.15939	2.4
229.19533	4.5
231.17450	1.4
233.19016	3.4
235.14674	1.3
237.16321	3.2
238.17357	1.1
239.17979	5.6
241.19548	3.3
243.17465	1.8
251.17978	2.5
253.19603	5.5
255.21114	3.8
257.19034	2.0
263.17993	1.7
265.19604	3.7
267.21103	3.9
269.19113	1.7
269.22540	1.4
279.21088	3.0
281.22678	1.9
283.20679	1.9
291.21228	1.6
293.22589	2.8
295.24197	2.3
305.22775	1.8
307.23920	1.5
309.26004	1.3
311.23706	7.7
313.25229	1.7
319.24097	2.0
321.25803	1.2
335.27417	4.9
337.25214	2.9
351.26852	2.4
363.30441	2.5
365.28674	1.8
389.32056	13.4
407.33118	100.0
408.33487	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	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05514	9.8
57.07061	4.1
65.03935	1.0
67.05181	1.2
67.05510	19.4
69.07069	14.5
70.23289	0.9
71.58977	1.9
75.13757	1.0
79.05491	13.8
81.07053	31.0
83.04969	2.0
83.08617	8.7
85.06586	1.3
91.05482	18.8
93.07043	27.9
95.04984	2.1
95.08610	52.6
97.06496	1.6
97.10164	2.6
99.08084	4.0
105.07035	38.2
107.08599	39.7
109.06518	3.3
109.10161	24.6
111.08108	1.8
115.05424	2.0
117.07028	7.0
119.08585	65.1
121.06506	1.7
121.09309	2.2
121.10149	34.8
123.08078	1.8
123.11710	11.4
125.09613	1.7
128.06218	3.4
129.07019	4.4
130.07780	2.2
131.08571	32.8
133.10136	30.7
135.08092	2.8
135.11702	17.3
137.09590	5.7
137.13252	3.4
139.11163	1.3
141.07013	1.3
142.07796	3.1
143.08578	14.0
144.09354	3.3
145.10129	49.8
147.11676	17.9
149.09631	1.4
149.13268	14.4
151.11203	4.0
155.08568	4.6
156.09378	3.4
157.10132	14.8
158.10919	4.9
159.08057	1.3
159.11699	33.3
161.09639	1.6
161.13258	14.9
163.11208	5.5
163.14774	9.0
165.12807	1.1
168.09386	1.8
169.10152	7.3
170.10934	2.1
171.11688	17.9
172.12408	3.9
173.13264	27.6
175.11224	1.9
175.14838	15.3
177.12822	2.2
177.16382	9.5
181.10161	3.1
182.10938	1.6
183.11719	8.5
184.12436	1.6
185.13255	17.2
186.14021	1.7
187.14827	74.6
188.15025	1.3
189.12756	1.7
189.16393	13.1
191.14301	2.1
191.17938	6.1
193.10126	1.2
195.11743	4.3
196.12462	2.0
197.13293	6.5
199.14821	15.1
201.16385	48.9
203.14336	3.0
203.17946	6.6
205.15906	14.1
207.17461	4.2
209.13281	3.5
211.14874	7.7
213.16393	9.3
215.14415	1.5
215.17917	6.7
217.15912	2.1
217.19501	1.3
219.17522	1.7
221.13246	1.4
223.14900	4.0
224.46698	1.2
225.16289	5.1
227.17966	8.8
229.15996	1.4
229.19600	3.6
231.17413	1.9
233.18970	3.5
235.14917	1.7
237.16454	3.7
239.17940	5.7
241.19536	4.6
243.17444	1.3
243.21072	2.4
249.16434	1.1
251.17946	4.8
253.19569	5.1
255.21178	3.9
263.17993	2.0
265.19516	2.2
267.21097	3.3
269.19266	1.2
269.22443	1.3
271.20547	2.2
277.19666	1.3
279.21210	2.4
281.22690	1.7
283.20462	1.5
293.22647	3.9
295.24216	1.5
297.22134	1.4
307.24387	1.3
311.23828	7.3
319.24152	2.9
335.27451	6.5
337.25452	1.9
351.26651	1.2
363.30499	1.6
365.28540	1.4
389.32001	14.1
407.33130	100.0
408.33234	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	407.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05519	12.7
57.07050	1.9
65.03931	2.4
67.05508	21.4
69.03419	3.2
69.07070	13.2
70.72717	3.4
71.04974	1.2
79.05503	20.6
80.49580	1.3
81.07064	45.5
83.04987	2.1
83.08631	6.7
91.05484	20.0
93.06465	2.1
93.07050	41.6
95.04967	5.2
95.08611	70.9
97.06513	1.9
97.10168	2.8
105.07034	61.8
107.08601	62.6
109.06533	5.2
109.09447	2.5
109.10162	36.3
111.08103	4.8
117.07011	11.9
118.20710	1.2
119.08586	61.2
121.06596	1.8
121.10153	32.1
123.08075	4.2
123.11707	12.4
125.09657	11.2
128.06137	1.6
129.07040	7.4
130.07784	2.2
131.08578	35.1
133.06534	1.7
133.10136	34.9
135.08101	2.2
135.11711	16.2
137.09674	3.1
137.13292	1.9
141.06956	1.7
142.07806	3.4
143.08554	19.7
143.93507	1.3
144.09343	2.6
145.10133	53.5
147.08035	2.2
147.11697	18.7
149.09673	2.4
149.13251	17.6
151.11198	2.8
155.08595	4.5
155.63011	1.3
156.09398	3.3
157.10133	16.6
158.10910	2.8
159.11703	30.5
161.09644	1.9
161.13283	14.4
163.14838	18.4
163.65004	1.4
165.16451	1.5
169.10164	4.8
170.10909	2.5
171.11693	13.4
173.09627	2.0
173.13268	45.7
174.13707	1.5
175.11284	1.8
175.14853	19.9
177.12743	1.6
177.16391	14.0
181.10188	2.3
183.11621	6.1
185.13266	11.2
187.14835	71.7
189.12770	1.9
189.16394	25.2
191.14378	3.3
191.18001	4.1
193.15880	2.3
195.11690	1.5
197.13245	6.4
199.14812	15.0
201.12921	1.5
201.16388	24.5
203.14339	5.0
203.17973	12.9
205.15912	3.1
209.13306	3.1
211.14821	6.5
213.16374	24.7
215.14433	2.4
215.17952	20.2
217.15891	8.4
217.19586	3.8
219.17448	3.6
223.14786	3.1
225.16423	5.2
227.17871	8.2
229.15973	3.3
229.19501	7.0
231.17537	3.0
233.19077	3.7
237.16371	3.5
239.18011	5.9
241.19550	11.0
243.17473	1.5
243.21082	3.6
251.18002	3.0
253.19513	5.0
255.21049	6.2
257.19095	2.3
259.20657	1.9
265.19699	1.9
265.48730	1.2
267.21072	7.3
279.21075	3.3
281.22699	3.8
283.20975	1.4
283.24207	3.9
293.22620	4.3
295.24292	2.1
311.23721	12.6
319.24200	3.6
333.25482	1.4
337.25375	3.1
349.28827	3.9
361.29309	1.5
379.33713	2.0
389.32117	21.7
407.33133	100.0
408.33615	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	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30442	1.2
53.03947	2.7
54.22833	1.1
55.05515	15.0
55.28444	1.1
57.07084	2.5
65.03924	2.6
67.05509	19.1
69.03439	1.8
69.07072	16.2
69.40244	6.0
69.40662	3.8
77.03934	2.0
79.05498	12.9
81.06579	2.1
81.07065	44.1
83.08631	6.2
85.06551	1.2
91.05489	22.2
93.07056	37.4
95.04978	4.1
95.08619	63.9
97.06533	1.5
97.10174	4.3
103.05525	1.4
105.07040	52.8
107.08604	56.4
109.06526	5.3
109.10168	35.0
111.08086	4.7
111.11741	1.6
115.05434	2.0
117.07043	11.8
119.08590	43.2
119.09454	2.1
121.06567	1.6
121.10154	31.4
123.08082	4.5
123.11714	11.5
125.09650	10.0
128.06284	1.4
129.06995	6.0
130.07785	2.4
131.07603	2.6
131.08575	37.5
133.10135	32.4
133.11075	2.2
135.11707	15.0
137.09648	2.4
137.13298	2.8
141.07028	1.9
142.07805	3.7
143.08571	17.0
144.09325	3.0
145.10132	48.4
147.11693	22.9
147.12782	1.9
149.09590	2.0
149.13254	19.2
151.11186	2.2
155.08566	2.9
156.09335	2.9
157.10141	17.9
158.10973	3.3
159.11700	29.3
161.13301	12.9
163.14836	25.2
169.10162	6.3
171.11725	13.6
172.12482	2.3
173.13280	48.2
175.11314	2.9
175.14850	25.9
177.16376	19.4
181.10158	1.7
183.11707	4.8
185.13298	11.6
187.14841	80.9
189.16412	30.4
189.18118	2.1
191.14320	2.5
191.17958	5.2
193.15964	1.3
195.11745	3.2
197.13292	5.3
199.14835	20.1
201.12753	2.4
201.16414	23.7
203.14445	2.3
203.17966	11.2
205.15945	2.6
209.13309	2.6
211.14871	3.5
213.16396	26.7
214.17134	1.8
215.17969	20.7
217.15871	12.3
217.19525	2.5
219.17477	2.0
223.14877	4.4
225.16425	5.3
227.17946	11.3
228.18486	1.3
229.15929	4.1
229.19495	6.8
231.17503	5.3
233.19075	6.0
235.14932	1.2
237.16521	2.8
239.18051	6.8
240.18668	1.2
241.19519	13.4
243.17487	2.5
243.21170	3.0
245.19026	1.8
251.17845	1.6
253.19609	4.3
255.21069	8.2
257.19098	2.6
265.19556	2.6
267.21072	7.0
269.19153	2.1
269.22650	2.4
279.21194	3.4
281.22723	4.4
283.20544	2.6
283.24176	3.6
292.92502	1.3
293.22766	1.6
295.24216	3.0
309.25690	1.6
311.23755	2.3
319.24332	3.5
333.25842	3.3
349.28976	4.1
379.33655	2.9
389.32104	23.7
390.32513	1.5
407.33127	100.0
408.33441	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	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.1
57.07064	4.0
62.61959	1.6
65.03942	2.1
67.05505	16.1
69.07070	21.3
69.58514	11.9
71.08626	1.9
74.26273	1.9
79.05492	13.6
81.07062	25.2
83.04984	2.8
83.08613	7.8
91.05480	14.4
93.07053	30.2
95.04964	2.8
95.08611	59.3
97.06516	2.7
99.08109	4.4
105.07032	40.8
107.08602	59.3
109.06499	2.4
109.10158	21.1
111.08124	2.0
115.05466	1.8
117.07000	10.9
119.08588	72.7
121.06569	2.6
121.10151	55.0
123.11687	7.3
128.06183	1.8
129.07019	4.1
130.07852	3.3
131.08577	36.7
132.27861	2.0
133.10146	34.6
135.11688	21.1
137.09584	4.0
137.13286	2.9
143.08543	9.2
144.09343	4.8
145.10132	66.4
147.11703	18.7
149.09598	2.3
149.13255	15.0
151.11220	3.0
155.08469	2.2
156.09299	3.0
157.10092	12.0
158.10922	6.5
159.11705	45.6
160.12209	1.8
161.13260	19.0
163.11188	31.7
163.14832	11.0
169.10144	5.4
170.10921	4.5
171.11678	14.6
172.12479	5.0
173.13286	34.2
175.14828	32.8
177.12784	3.0
177.16385	34.2
181.10086	2.0
183.11691	5.3
185.13254	14.6
187.14833	68.8
188.15091	2.6
189.16408	17.9
191.14404	3.5
191.17932	10.2
197.13342	3.2
199.14917	14.6
201.16394	88.0
202.16707	2.6
203.17935	8.6
205.15889	100.0
207.17424	7.4
211.14763	4.5
213.16408	12.8
215.14449	2.8
215.18025	5.3
217.15848	3.4
217.19508	2.3
225.16389	3.7
227.17944	6.1
229.19502	3.3
231.17546	2.2
233.19022	4.4
234.48460	1.9
239.18044	2.8
241.19635	3.0
253.19476	3.3
267.20999	3.9
293.22696	2.4
335.27353	3.8
366.49011	1.7
389.32001	7.7
393.26599	1.9
407.33099	93.5
408.33441	3.6
411.06482	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	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.05516	9.6
57.07065	2.9
65.03922	1.9
67.05508	15.3
69.07068	20.3
69.85533	1.0
70.03982	5.1
79.05494	13.3
81.07061	26.1
83.04955	2.0
83.08636	7.1
85.06546	1.4
91.05476	19.3
93.07047	30.3
95.04987	2.4
95.08609	57.6
96.08882	1.2
97.10145	1.6
98.20817	1.6
99.08083	3.0
99.35284	1.1
105.07037	34.9
107.04933	1.4
107.08599	58.9
109.06541	1.4
109.09454	1.8
109.10157	26.3
111.08093	2.3
112.27306	1.1
115.05423	2.1
116.06231	1.5
117.07011	9.3
119.08585	85.0
120.07484	1.2
121.06474	1.2
121.10151	54.4
123.08040	2.0
123.11716	11.0
129.07008	3.1
130.07779	2.4
131.08571	41.7
133.10130	39.2
135.08113	1.8
135.11700	18.0
137.09619	8.1
137.13249	4.4
139.11099	1.2
142.07799	2.9
143.08585	10.6
144.09341	3.4
145.10126	68.2
146.10558	1.5
147.11708	21.4
149.09612	4.3
149.13266	15.0
151.11180	4.0
155.08513	1.7
156.09357	3.6
157.10135	14.9
158.10945	7.0
159.11696	56.2
161.13268	16.2
163.11203	20.0
163.14835	11.7
165.12787	1.2
169.10123	3.6
170.10951	3.1
171.11687	13.3
172.12442	3.4
173.13260	53.4
175.11298	1.4
175.14835	26.6
177.12761	2.8
177.16402	30.2
183.11693	7.4
184.12384	1.7
185.13272	14.1
187.14828	76.4
188.15169	1.7
189.16380	21.0
191.14337	3.9
191.17982	5.6
197.13278	3.9
199.14850	17.5
201.16389	96.2
202.16731	2.5
203.17950	7.4
205.15881	100.0
207.17467	12.0
209.13281	1.6
211.14838	3.5
213.16394	14.1
215.14365	1.9
215.17986	6.5
217.15881	2.8
217.19508	2.6
219.17438	3.8
225.16371	2.4
227.17874	6.0
229.19566	2.9
231.17412	2.3
233.18930	2.4
237.16431	3.4
239.18001	2.1
241.19545	1.5
252.64957	1.1
255.21124	1.7
261.26431	1.5
267.21021	1.8
269.22754	1.6
281.22577	1.2
295.24335	1.6
304.08231	1.1
333.25943	1.4
335.27228	1.3
389.32077	6.8
407.33093	74.2
408.33319	3.2
419.99713	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	407.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.05516	22.0
57.07084	3.9
61.64091	2.0
65.03928	4.3
67.05508	38.2
69.03427	5.5
69.07070	24.4
79.05490	27.5
81.07066	69.1
83.04974	7.0
83.08626	12.0
85.06552	3.4
91.05486	36.0
91.37499	2.5
93.07056	58.3
95.04995	16.8
95.08614	100.0
96.08949	2.5
97.06540	5.4
97.10171	4.6
98.20741	4.3
99.08096	4.3
105.07040	73.2
107.04942	4.4
107.08601	93.2
109.06546	14.7
109.09454	4.9
109.10165	71.3
111.08088	9.6
112.58205	2.5
115.05476	3.5
117.07029	16.8
119.08591	86.2
120.08940	2.2
121.06501	11.1
121.10150	52.3
123.08064	9.5
123.11761	13.8
125.09627	9.2
128.06258	4.4
129.06990	10.4
130.07693	3.9
131.08582	44.0
132.08904	3.2
133.06506	5.2
133.10144	47.7
134.10503	2.4
135.08073	18.3
135.11705	25.9
137.09630	16.2
137.13260	7.4
141.07019	4.6
142.07765	9.7
143.08557	28.1
144.09337	4.0
145.06477	6.3
145.10139	74.3
146.10472	2.5
147.08052	18.4
147.10619	3.6
147.11708	35.7
149.09676	8.5
149.13269	24.4
150.13536	2.4
151.11188	6.2
155.08557	6.8
156.09334	5.3
157.10156	33.2
158.07248	3.9
158.10921	4.3
159.08069	39.4
159.11707	44.0
159.79482	2.5
161.09662	26.3
161.13287	27.7
163.11198	6.2
163.14813	21.7
169.10168	11.5
169.13348	2.4
170.10878	6.0
171.08095	7.9
171.11703	17.8
172.08792	5.5
172.12108	2.7
173.09627	27.5
173.13275	38.0
175.11176	12.8
175.14851	26.7
177.12798	3.6
177.16434	19.3
181.10165	5.0
183.11722	11.9
184.08777	2.7
185.09622	12.5
185.13316	26.0
186.10283	2.4
186.13722	2.4
187.11249	22.8
187.14836	78.0
189.12729	10.7
189.16402	24.7
191.14270	7.0
191.17929	6.3
193.15967	4.2
195.11670	3.7
197.13254	11.4
198.10385	3.1
199.11214	12.9
199.14856	26.0
201.12759	29.6
201.16371	31.3
202.16698	2.6
203.14352	55.6
203.17966	16.8
204.14651	2.7
205.15932	7.9
207.11627	2.8
207.17410	2.5
209.13269	6.5
210.14081	2.1
211.11151	4.7
211.14838	7.2
213.12767	9.2
213.16370	21.0
215.14307	19.2
215.17813	12.4
217.15903	17.3
217.19640	3.2
219.17403	4.0
221.13193	3.2
225.12735	6.3
225.16374	9.0
227.14307	9.7
227.17979	10.4
229.15909	31.0
229.19479	4.0
231.17337	2.6
237.16371	4.9
239.14339	3.9
239.17967	5.9
241.15900	6.5
241.19577	11.8
243.17484	12.1
249.16501	4.0
253.19640	6.0
255.17560	3.9
255.21112	6.5
257.18933	7.7
267.21088	8.7
269.19037	4.4
269.22455	3.2
279.21136	4.9
281.18826	3.3
283.20685	6.0
283.24045	2.8
291.21198	3.1
305.22574	2.4
319.20697	5.1
319.24326	3.0
333.21939	2.5
335.23703	2.8
337.21613	11.0
337.25418	4.6
351.26752	2.9
361.28897	8.8
379.29749	3.5
389.27640	14.2
389.32086	10.6
407.29315	73.4
407.33154	58.1
408.29471	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	407.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.8
67.05512	4.4
69.07063	3.3
69.80140	3.6
72.78419	0.8
79.05491	3.8
81.07063	10.0
83.08600	1.2
91.04998	1.2
91.05466	6.0
93.07038	6.6
95.04981	1.2
95.08051	0.9
95.08613	10.9
97.06551	1.5
103.19535	0.9
105.07045	10.4
107.08588	10.0
108.40494	0.7
109.06513	1.9
109.10172	5.8
111.08065	1.0
117.07005	1.6
119.08597	10.4
121.10150	7.9
123.08104	0.9
123.11729	2.6
128.06248	1.0
129.07010	2.3
131.08571	6.4
133.10161	7.3
135.08075	1.5
135.11726	3.3
137.09636	1.3
137.13293	0.9
142.07768	1.3
143.08577	4.4
145.10110	9.2
147.11713	4.7
149.13235	3.8
155.08528	1.2
156.09358	1.3
157.10156	5.0
159.11690	4.5
161.09637	1.7
161.13277	3.0
163.11220	0.9
163.14815	2.4
169.10138	0.9
171.11682	3.4
173.13261	6.2
175.14882	2.7
177.16415	2.9
183.11710	1.4
185.13300	3.7
187.14807	10.0
189.12790	0.9
189.16385	4.3
197.13274	1.5
199.14815	3.0
201.16290	5.2
203.14374	2.1
203.17976	2.2
205.15894	1.9
207.11626	1.1
209.13287	1.2
211.14859	1.1
213.00386	0.8
213.16406	3.7
215.17946	2.3
217.15846	0.8
223.14906	0.8
227.17978	1.6
229.19632	0.9
239.17993	1.0
241.19540	1.0
255.20779	1.0
265.19342	0.9
267.21182	1.1
321.16721	5.9
389.32120	2.3
407.24097	100.0
407.32239	12.5
408.12039	1.0
408.24374	2.1
412.44745	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	407.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72457	3.6
53.03943	5.2
55.01861	11.3
55.05516	19.4
57.03418	5.0
61.02927	7.1
65.03955	5.0
67.05503	37.9
68.28191	3.6
68.99785	15.2
69.03426	31.1
69.06717	4.8
69.07073	16.7
69.35725	20.7
69.36156	12.1
71.04989	9.0
79.05507	27.7
81.03428	12.4
81.07061	69.3
83.04965	9.4
83.08640	6.8
85.02911	22.9
85.06558	5.9
87.00825	12.4
91.05486	40.3
93.07050	60.8
95.04973	23.0
95.08610	95.6
97.02916	10.3
97.06555	7.3
99.04454	3.6
99.08096	15.9
105.07043	75.4
107.04960	6.8
107.08607	70.1
107.09302	8.1
109.02888	6.1
109.06512	7.7
109.10159	36.7
111.04490	6.0
111.08087	9.0
115.03920	4.8
117.07013	15.9
119.08592	92.4
121.06516	12.0
121.10150	41.8
123.08045	7.1
123.11720	20.3
125.09644	3.9
127.03908	5.6
128.06232	10.6
129.01820	8.6
129.07028	14.9
130.07799	6.6
131.08574	71.9
133.06541	7.4
133.10156	53.4
135.08067	13.3
135.11720	20.3
137.05881	3.7
137.09673	5.5
141.06985	6.8
142.07814	13.1
143.08566	43.5
144.09303	8.4
145.06491	9.1
145.10135	69.8
147.08052	13.0
147.11710	39.1
149.09630	9.1
149.13274	18.5
151.11201	6.1
155.08557	16.2
156.09415	6.8
157.10133	48.3
158.10887	11.1
159.02933	5.7
159.08041	11.5
159.11717	69.3
161.09634	11.3
161.13283	19.3
163.07544	5.5
163.11250	7.3
163.14859	8.2
165.06992	4.7
167.08514	5.4
169.10168	17.7
170.10970	4.6
171.08159	5.7
171.11728	36.8
173.09816	6.0
173.13283	100.0
173.14699	8.0
175.11220	10.5
175.14842	51.6
177.09187	4.0
177.16437	13.1
181.10147	11.0
183.08185	5.2
183.11617	25.3
184.12398	4.8
185.09554	7.8
185.13260	29.5
186.10324	4.2
187.11189	7.3
187.14827	45.7
189.12775	6.8
189.16350	19.3
191.14293	7.0
193.10251	6.5
194.10902	5.1
195.11748	6.8
197.13248	19.7
199.14845	38.5
201.12685	12.4
201.16377	31.6
203.14314	10.0
203.17975	5.7
205.15910	14.6
207.11855	5.2
209.13333	14.8
211.11363	7.4
211.14819	11.0
213.12698	5.6
213.16397	20.1
215.14357	10.9
215.17899	7.6
217.15886	23.2
223.14822	9.1
225.12843	8.6
225.16350	10.5
227.14314	17.5
229.15979	5.2
231.17519	9.5
235.17007	7.6
237.16219	4.7
239.17979	9.0
241.15944	13.1
243.13676	4.1
243.17534	10.1
245.15396	8.0
247.17056	4.4
249.16492	8.4
257.18970	7.5
259.17050	8.2
261.18591	11.1
267.17584	19.0
267.20279	3.6
285.18500	40.6
303.19540	30.9
321.20953	4.5
371.18640	8.0
387.55386	4.0
389.19754	21.5
389.32092	4.5
407.20914	33.5
407.29190	15.4
407.33713	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	407.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01873	8.3
55.05515	15.5
56.97947	2.1
57.03439	5.1
57.07059	3.6
59.05032	2.3
61.02920	6.6
67.05511	30.0
68.99792	9.5
69.03436	34.4
69.07072	19.4
71.04987	6.8
71.59122	3.6
71.59514	3.1
73.02929	3.5
79.05492	29.2
81.03433	15.0
81.07058	56.7
83.04988	11.1
83.08622	7.5
85.02450	3.0
85.02914	18.4
85.06539	7.7
87.00832	16.1
91.05470	30.4
93.07050	46.2
95.04970	20.7
95.08614	81.3
97.02910	9.6
97.06547	11.1
97.10224	2.8
99.04490	4.3
99.08094	15.9
103.03864	2.9
103.05463	2.6
105.01891	3.6
105.07030	65.8
105.07675	4.5
107.05013	6.1
107.08601	54.3
109.06526	9.1
109.10164	39.2
111.04446	7.3
111.08079	6.8
115.03905	5.0
115.05456	3.4
117.07010	21.4
119.04954	2.7
119.08588	78.9
120.08914	2.9
121.06504	12.2
121.10152	30.4
123.04423	3.7
123.08057	5.7
123.11710	15.6
125.05956	3.3
125.09696	4.4
127.03935	5.2
128.06230	8.1
129.01860	8.2
129.07011	17.3
130.07712	3.9
131.08577	59.9
133.06468	4.2
133.10136	41.4
135.08063	9.2
135.11716	17.5
136.17627	2.2
137.06023	5.4
137.09644	5.5
141.07028	9.0
142.07742	11.8
143.08568	40.7
144.09329	8.8
145.06503	5.2
145.10132	62.4
147.02954	2.8
147.08092	9.3
147.11691	26.7
149.09596	5.6
149.13213	13.4
151.11119	3.2
153.06987	2.8
155.08521	16.1
156.09329	8.7
157.10136	42.4
158.10873	9.2
159.02904	5.5
159.08080	8.6
159.11699	67.2
161.09604	11.4
161.13242	17.9
163.07542	4.8
163.11211	4.7
163.14857	9.8
165.06921	3.3
165.09163	2.4
167.08575	3.6
168.09412	2.8
169.10150	21.6
170.10861	4.6
171.08057	4.8
171.11722	34.5
173.09651	10.0
173.13269	100.0
174.13719	3.6
175.11220	11.0
175.14830	42.2
177.12787	4.1
177.16396	11.1
179.08582	5.8
181.10066	5.5
182.10939	5.4
183.11667	21.1
184.12390	2.4
185.09631	7.9
185.13257	21.6
187.11188	7.7
187.14838	44.0
189.03871	2.8
189.12730	5.3
189.16394	15.2
191.10780	3.5
191.14287	4.4
194.10866	3.7
195.11765	5.6
196.12434	3.6
197.09625	3.4
197.13293	18.2
199.11200	6.3
199.14816	35.7
200.15321	2.8
201.12776	8.6
201.16432	23.5
203.10681	2.9
203.14320	9.0
203.17990	6.8
205.15895	9.2
207.11804	2.9
209.13278	13.1
211.11218	5.0
211.14790	12.0
213.12811	3.1
213.16411	25.1
215.14360	11.0
215.17995	9.4
217.15881	24.7
223.14836	7.1
225.12820	4.2
225.16394	10.5
227.14346	21.6
227.17929	6.6
229.12297	5.0
229.15872	7.2
229.19615	2.6
231.17442	5.6
233.15454	3.4
235.16928	6.2
239.18010	11.3
241.15894	10.6
241.19528	5.7
243.13762	4.0
243.17477	8.1
245.07889	6.6
245.15382	5.3
247.16879	3.5
249.16423	5.1
253.19661	3.4
257.19183	3.2
259.16989	7.2
261.18573	5.8
267.17480	22.1
267.20627	3.8
273.18536	3.7
285.18533	44.6
303.19571	26.1
321.20535	3.9
349.16290	3.9
363.17923	3.2
371.18460	5.5
389.19644	20.4
389.27872	3.5
407.20728	36.8
407.28482	3.3
407.33539	40.6
420.97919	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	407.2064
Annotation	Trichothosporon A
Peak:m/z	Relative Intensity
53.03949	6.2
55.01864	14.3
55.05511	16.6
57.03444	9.6
61.02937	7.9
67.05515	32.8
68.99801	14.4
69.03431	54.4
69.07069	23.3
70.03205	26.6
71.01340	5.3
71.04997	12.0
73.00712	4.5
73.02911	10.0
75.30980	4.3
79.05495	21.6
81.03415	31.4
81.07058	40.9
83.05020	11.3
83.08614	8.0
85.02909	29.1
87.00829	31.1
91.05503	31.4
93.07060	34.0
95.04970	22.2
95.08611	83.6
97.02909	15.6
97.06536	9.4
97.10166	7.2
99.04462	7.4
99.08111	9.5
105.07016	64.3
107.04946	9.4
107.08584	58.1
109.02900	6.1
109.06528	16.2
109.10199	18.7
111.04449	10.4
111.08034	6.0
115.03944	14.9
115.05470	7.3
117.07043	19.5
119.08599	95.6
121.06525	18.0
121.10170	68.0
123.08083	5.7
123.11694	30.2
125.05949	5.2
127.03902	16.2
128.06244	8.9
129.01866	12.9
129.05458	7.1
129.07028	15.1
131.08559	39.8
133.06482	5.9
133.10146	100.0
135.08005	11.9
135.11711	24.7
141.78040	5.1
142.07814	8.9
143.08607	26.7
144.09280	6.5
145.10130	50.9
147.08063	8.0
147.11734	36.9
149.09587	7.9
149.13295	10.4
155.08568	13.2
157.10132	44.8
158.10893	6.3
159.08087	15.4
159.11717	44.2
161.09644	18.3
161.13301	17.2
163.07573	8.1
163.11176	9.3
163.14812	9.8
164.24641	5.8
167.08618	9.0
168.09410	7.5
169.10126	20.0
170.10936	5.7
171.11682	39.1
172.12416	9.2
173.09622	11.8
173.13290	43.5
175.11221	20.1
175.14839	90.5
177.12770	5.8
177.16428	21.5
181.10097	6.9
183.11768	17.5
185.13277	21.7
187.11176	15.4
187.14812	75.4
189.09128	6.1
189.12704	9.3
189.16336	25.0
194.10905	6.2
197.13232	12.4
199.11092	6.6
199.14870	28.8
201.03912	5.7
201.12784	8.8
201.16438	9.5
203.14264	6.0
205.15889	7.7
209.13229	16.4
211.11195	11.5
211.14886	13.3
213.16403	13.9
217.15854	26.4
225.12860	6.9
225.16371	13.5
227.14349	19.4
229.12320	11.4
229.15939	9.5
231.17412	7.6
239.18008	6.7
241.15901	8.2
243.17476	12.7
245.15372	7.3
257.19043	7.1
261.18686	6.3
267.17548	27.0
285.18506	63.2
290.48264	5.0
303.19608	35.8
363.21759	6.9
371.18484	12.2
389.19604	39.5
407.11450	5.0
407.20709	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	407.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.6
55.01866	9.6
55.05509	18.2
56.21159	4.0
57.03437	7.9
57.07080	6.4
63.66878	4.7
67.05511	22.9
67.37277	4.8
68.99794	13.2
69.03433	66.9
69.07063	18.0
69.69140	16.8
69.69553	12.5
71.04993	10.2
73.02905	6.1
79.05495	24.1
81.03426	23.5
81.07076	36.9
83.04986	13.3
83.08624	6.4
85.02905	30.9
85.06572	4.7
87.00851	22.6
91.05492	33.0
93.07070	34.9
95.04997	28.4
95.08627	74.0
97.02904	15.8
97.06525	12.3
97.10183	5.5
99.08079	10.0
103.03927	5.9
105.07037	64.3
107.04971	13.9
107.08607	42.4
109.02859	7.0
109.06532	11.0
109.10163	22.1
111.04452	10.4
115.03962	7.7
117.07043	15.1
118.69283	4.6
119.04910	5.5
119.08590	91.4
121.06512	11.7
121.10144	55.9
123.08118	11.1
123.11723	21.8
127.03918	14.6
129.01805	5.6
129.07022	8.7
130.07758	5.5
131.08585	39.2
132.39832	5.9
133.06477	6.8
133.10147	100.0
135.08035	12.7
135.11707	19.6
137.05997	10.9
137.09703	4.3
141.06970	9.1
142.07790	7.9
143.08566	26.4
144.09447	6.6
145.06488	9.3
145.10155	53.2
147.08095	10.8
147.11684	33.4
149.09575	7.8
149.13269	9.6
155.08577	8.2
156.09349	10.7
157.10149	39.9
158.10922	10.8
159.02850	6.2
159.08096	15.1
159.11674	40.8
161.09618	14.6
161.13272	16.9
163.07608	8.1
163.11151	6.8
163.14838	10.7
165.09103	4.9
167.08556	7.8
169.10162	13.8
171.11658	29.2
172.12463	12.7
173.09627	12.9
173.13268	49.4
175.11125	8.0
175.14830	74.0
177.12863	5.1
177.16435	19.2
181.08614	6.3
182.10789	5.4
183.11719	16.7
184.12355	5.1
185.13281	12.9
187.11253	10.9
187.14853	75.8
189.16475	27.4
191.14386	5.4
197.09624	5.5
197.13312	10.0
199.14893	27.2
201.12857	5.7
201.16394	11.3
205.15808	9.3
209.13324	9.9
211.14880	10.8
213.16432	11.7
215.14299	11.2
217.15868	31.9
225.12839	5.1
225.16473	10.8
227.14366	14.5
229.12263	7.5
229.15869	6.0
231.17661	7.2
235.16939	8.5
241.15985	7.3
243.17535	17.3
261.18576	8.4
267.17459	25.1
285.18454	44.4
303.19598	33.5
321.20535	6.3
371.18613	8.0
389.19659	42.1
390.19281	4.8
407.20596	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	407.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.5
55.05503	4.4
56.05028	2.7
58.99570	2.6
60.62232	2.3
65.03941	3.7
67.05502	10.3
69.03425	8.7
69.07013	2.7
70.06611	12.4
71.59106	3.0
72.08154	4.8
76.02234	5.6
79.05499	5.3
80.21441	2.5
81.03412	3.4
81.07049	4.7
82.06567	5.3
83.04970	7.5
84.04488	6.2
84.08141	4.4
85.02873	5.8
86.09692	7.9
87.00842	3.1
91.05530	3.3
93.07065	2.8
94.06575	4.4
95.04955	4.1
95.07394	2.8
96.08144	2.6
97.02901	5.4
97.06529	2.2
98.06041	11.8
103.05453	3.1
108.04473	2.9
109.02850	2.8
110.06059	17.1
110.09625	3.1
110.61270	2.4
111.04464	6.1
116.07111	2.5
120.08112	17.9
121.02879	6.6
122.06012	3.5
123.04446	2.3
126.05498	3.9
127.03918	3.4
128.83430	2.7
130.04980	7.0
130.06505	5.3
133.07600	2.7
134.07310	2.2
134.08363	3.4
136.07571	6.5
138.05533	19.5
138.09171	14.1
139.03899	8.3
146.08388	3.4
148.07619	15.1
151.07588	3.2
155.53622	2.4
156.06573	87.4
158.09651	3.1
160.07608	5.6
163.03894	4.5
166.08669	17.6
167.07042	2.4
169.08781	4.0
174.07898	7.0
175.08728	3.4
181.08905	5.3
183.09174	5.4
184.09808	3.0
184.11243	3.0
187.80739	2.4
188.07034	2.6
194.09523	3.8
195.09169	5.2
196.09935	19.6
197.10742	6.6
198.07793	2.8
202.08650	3.9
206.08411	38.0
208.09723	5.2
209.10762	3.3
210.11565	3.1
211.08661	6.5
211.12317	20.2
213.10202	6.9
217.09840	4.2
217.38336	2.6
220.10036	7.5
221.10789	14.7
223.08670	15.0
224.09396	27.7
225.10278	5.5
226.10953	4.4
227.11694	2.9
228.10178	7.4
230.11786	4.1
232.09717	11.7
234.11266	5.2
237.05397	3.4
237.10240	7.1
238.10966	13.9
239.11838	38.8
240.10139	4.5
241.09724	5.5
246.11288	7.9
252.08716	27.2
254.10469	3.3
257.12823	4.6
258.11237	11.8
259.11392	3.6
260.11505	7.6
262.10797	6.6
267.11304	66.8
268.11877	3.6
271.10831	5.9
272.11569	15.0
275.13943	16.4
276.12305	8.0
285.12332	100.0
290.12473	9.2
303.13403	44.1
304.11688	15.9
321.14148	5.1
363.15643	6.1
371.12354	3.3
377.93396	2.5
389.13217	14.5
390.11768	16.5
407.14496	64.0
407.18906	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	407.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.5
55.05503	4.4
56.05028	2.7
58.99570	2.6
60.62232	2.3
65.03941	3.7
67.05502	10.3
69.03425	8.7
69.07013	2.7
70.06611	12.4
71.59106	3.0
72.08154	4.8
76.02234	5.6
79.05499	5.3
80.21441	2.5
81.03412	3.4
81.07049	4.7
82.06567	5.3
83.04970	7.5
84.04488	6.2
84.08141	4.4
85.02873	5.8
86.09692	7.9
87.00842	3.1
91.05530	3.3
93.07065	2.8
94.06575	4.4
95.04955	4.1
95.07394	2.8
96.08144	2.6
97.02901	5.4
97.06529	2.2
98.06041	11.8
103.05453	3.1
108.04473	2.9
109.02850	2.8
110.06059	17.1
110.09625	3.1
110.61270	2.4
111.04464	6.1
116.07111	2.5
120.08112	17.9
121.02879	6.6
122.06012	3.5
123.04446	2.3
126.05498	3.9
127.03918	3.4
128.83430	2.7
130.04980	7.0
130.06505	5.3
133.07600	2.7
134.07310	2.2
134.08363	3.4
136.07571	6.5
138.05533	19.5
138.09171	14.1
139.03899	8.3
146.08388	3.4
148.07619	15.1
151.07588	3.2
155.53622	2.4
156.06573	87.4
158.09651	3.1
160.07608	5.6
163.03894	4.5
166.08669	17.6
167.07042	2.4
169.08781	4.0
174.07898	7.0
175.08728	3.4
181.08905	5.3
183.09174	5.4
184.09808	3.0
184.11243	3.0
187.80739	2.4
188.07034	2.6
194.09523	3.8
195.09169	5.2
196.09935	19.6
197.10742	6.6
198.07793	2.8
202.08650	3.9
206.08411	38.0
208.09723	5.2
209.10762	3.3
210.11565	3.1
211.08661	6.5
211.12317	20.2
213.10202	6.9
217.09840	4.2
217.38336	2.6
220.10036	7.5
221.10789	14.7
223.08670	15.0
224.09396	27.7
225.10278	5.5
226.10953	4.4
227.11694	2.9
228.10178	7.4
230.11786	4.1
232.09717	11.7
234.11266	5.2
237.05397	3.4
237.10240	7.1
238.10966	13.9
239.11838	38.8
240.10139	4.5
241.09724	5.5
246.11288	7.9
252.08716	27.2
254.10469	3.3
257.12823	4.6
258.11237	11.8
259.11392	3.6
260.11505	7.6
262.10797	6.6
267.11304	66.8
268.11877	3.6
271.10831	5.9
272.11569	15.0
275.13943	16.4
276.12305	8.0
285.12332	100.0
290.12473	9.2
303.13403	44.1
304.11688	15.9
321.14148	5.1
363.15643	6.1
371.12354	3.3
377.93396	2.5
389.13217	14.5
390.11768	16.5
407.14496	64.0
407.18906	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	406.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01869	0.4
55.77170	0.2
57.03421	0.8
58.46825	0.2
65.03959	0.3
65.86085	0.2
67.05499	0.9
69.03431	2.3
70.00603	0.8
70.01016	0.5
70.06612	0.2
71.04986	0.3
73.02921	0.4
79.05478	0.5
81.03428	1.0
81.07058	0.5
85.02418	0.4
85.02905	5.3
87.04456	0.5
91.03951	0.3
91.05476	0.3
93.07050	0.2
95.04947	0.3
97.02887	1.4
98.21384	0.4
99.04434	0.6
105.07016	0.4
106.06564	0.5
107.07305	0.2
107.08589	0.6
109.02876	0.9
115.05450	0.4
119.08588	0.4
121.10100	0.4
123.04446	0.6
127.03937	1.2
128.06221	0.4
129.07019	0.6
131.08604	0.4
132.08939	0.4
133.10150	0.4
134.06026	0.6
136.07567	0.7
143.08549	0.7
145.04924	0.4
145.10123	1.4
146.10515	0.5
150.13585	0.3
153.07010	1.5
154.06442	0.2
155.07339	0.4
155.08548	1.7
157.06433	0.3
159.11688	0.4
160.11163	0.4
161.05980	0.7
168.05624	0.2
170.09697	1.6
171.08076	0.7
171.11613	0.3
173.06023	0.3
173.13216	0.2
176.07063	1.7
180.08049	0.8
181.06468	0.8
183.06776	0.8
183.08151	0.5
187.07571	0.5
187.14853	1.0
188.10759	0.5
188.15144	0.5
198.09145	4.2
199.07515	1.0
199.14897	0.3
200.07112	0.4
201.07829	1.0
201.16464	0.4
202.08685	0.5
202.16649	0.4
205.15919	0.2
211.06346	0.4
214.05049	1.3
214.16608	0.4
216.10194	2.1
226.08627	2.5
229.07280	1.2
242.08186	0.3
243.09067	0.3
244.09698	100.0
245.10063	2.3
268.09503	0.2
286.10541	0.5
388.30872	0.3
406.14978	3.3
406.31937	2.2
433.79367	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	406.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03953	6.8
55.01863	1.7
57.03456	2.4
69.03434	15.2
70.06588	2.6
71.04993	2.7
71.58813	1.4
72.86533	0.9
73.02934	1.7
78.03455	18.1
79.05505	1.6
80.05019	2.5
80.75485	1.1
81.03421	32.7
81.07056	2.4
85.02914	8.9
86.09709	1.1
91.05493	2.8
93.07034	2.2
95.08607	2.6
96.04489	6.0
97.02890	8.1
99.04441	5.4
106.02924	61.0
107.08602	2.3
109.02879	19.0
116.56219	1.1
117.07021	5.6
119.08593	1.5
120.08144	1.2
121.02876	3.1
121.06555	1.1
121.10159	2.7
124.03961	100.0
125.04311	1.5
127.03922	9.8
130.06520	4.6
131.08571	3.4
133.10139	1.9
147.11705	1.6
159.08096	2.7
161.13290	1.1
167.07054	1.4
177.09163	1.8
181.04987	1.9
182.05325	1.2
191.14325	1.8
195.10197	1.3
196.06052	1.2
201.10170	1.4
209.15419	4.5
227.16502	1.9
244.09758	5.1
245.09183	1.5
250.07121	38.0
254.10281	1.1
264.76337	1.0
268.08167	30.0
269.08765	1.2
310.08981	3.3
356.09464	2.3
365.82907	1.1
370.14813	1.0
388.07062	1.3
407.16742	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	406.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89477	0.3
51.02372	0.5
53.03932	0.5
55.01868	0.4
65.03939	2.9
65.09018	0.3
69.03431	1.2
70.06597	4.9
71.39733	0.4
72.08144	0.4
78.03460	2.5
80.05017	0.5
81.03429	2.3
84.08147	0.5
85.02917	1.3
86.87132	0.4
87.53160	0.3
91.05479	2.6
93.03355	0.4
93.07039	0.4
95.04965	2.9
96.04513	0.9
97.02898	1.2
99.04459	0.5
102.88429	0.3
106.02923	8.2
109.02892	2.1
111.04446	1.8
112.07622	0.7
121.02875	100.0
122.03205	1.1
124.03958	23.2
127.03925	0.8
131.08525	0.4
139.03906	1.8
147.04430	0.6
166.05078	0.4
250.07147	3.7
268.08185	8.9
278.17853	0.3
297.08865	0.4
370.09238	2.7
388.10260	6.0
388.14746	0.2
389.13614	0.4
406.11295	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	405.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05509	8.2
57.03446	0.9
57.07061	2.2
59.04976	0.8
65.03930	0.9
67.05503	11.9
69.03424	3.2
69.06771	0.8
69.07075	8.3
69.67017	3.0
69.67429	1.1
77.03929	1.1
77.87647	0.7
79.05497	10.4
79.05911	1.3
81.07058	23.7
83.04974	1.1
83.08614	4.1
83.54636	0.6
83.73207	0.6
85.02906	1.3
85.06536	1.6
91.04965	1.0
91.05486	14.6
92.97713	0.9
93.07050	21.2
95.04983	3.7
95.08607	35.9
97.02921	0.8
97.06538	1.5
97.10156	1.8
99.08101	5.2
100.07539	0.7
100.11249	1.6
103.05483	1.4
105.07035	30.3
107.05004	1.2
107.08597	31.5
109.06525	4.8
109.10159	21.0
111.08065	2.1
115.05457	2.3
116.06178	0.7
117.07014	7.3
119.08583	46.1
120.08947	0.7
121.06516	1.6
121.10147	19.8
123.08067	3.1
123.11729	6.3
125.09624	3.3
128.06255	1.7
129.07002	6.2
130.07777	1.3
131.07582	1.1
131.08574	22.9
133.06509	0.9
133.10135	23.9
135.08069	1.8
135.11682	7.1
137.09621	3.2
137.13222	1.2
141.06979	2.7
142.07774	5.5
143.08557	19.3
144.09326	2.5
145.06470	1.2
145.10129	35.5
147.08044	1.7
147.11687	16.2
149.09633	1.2
149.13264	5.4
151.11223	1.6
155.08585	7.9
156.09346	6.3
156.13875	0.9
157.10130	22.7
158.10895	3.4
159.08051	2.2
159.11687	25.1
161.09627	2.0
161.13289	9.9
163.11215	1.3
163.14841	3.7
165.06955	1.1
167.08578	2.9
168.09279	1.4
169.10120	11.0
170.10912	4.8
171.11690	23.1
172.12439	1.4
173.09680	1.1
173.13266	25.1
174.13701	1.0
175.11273	1.5
175.14845	11.6
177.12683	0.7
177.16420	4.5
179.08511	1.4
180.09383	1.3
181.10139	4.6
182.10878	3.0
183.11700	15.9
184.12433	1.6
185.13264	25.4
187.11246	1.3
187.14825	38.0
188.15222	1.0
189.12794	2.2
189.16412	6.0
191.14357	1.2
192.09415	0.8
193.10139	1.9
193.15878	1.2
194.10921	1.7
195.11734	4.7
196.12508	2.0
197.13239	14.5
198.14067	0.9
199.11183	1.1
199.14824	21.1
201.12830	1.5
201.16402	16.9
203.14304	2.9
203.17976	2.4
205.15875	3.6
207.11722	3.3
208.12415	1.4
209.13263	6.5
210.13963	0.9
211.14836	12.9
212.15475	1.0
213.12930	1.3
213.16388	15.3
215.14401	3.6
215.17972	4.3
217.15874	2.7
219.11671	1.3
219.17490	0.9
221.13234	3.2
223.14789	5.9
224.15694	1.0
225.16318	7.5
226.17134	1.1
227.14334	1.1
227.17976	7.1
229.15889	2.2
229.19565	2.0
231.17432	2.4
233.13313	1.2
235.14816	2.3
236.15732	1.0
237.16341	5.4
238.17065	0.7
239.17949	8.9
241.15938	0.8
241.19566	3.1
243.17494	1.7
247.14851	1.1
249.16373	2.1
251.18001	4.9
252.18826	1.1
253.19588	4.9
254.20183	1.1
255.21155	1.7
261.16373	1.8
263.17902	2.1
265.19455	4.8
267.21060	4.3
275.17987	1.3
277.19589	2.3
279.21069	3.7
281.19189	1.2
281.22705	2.2
283.16992	1.0
283.20676	1.0
289.19479	1.0
291.21213	1.9
293.22849	1.2
297.22128	1.1
303.21008	1.6
305.22659	1.4
309.22296	1.0
311.23709	1.5
313.17953	0.9
317.22693	2.5
321.25858	1.1
331.24304	1.7
333.25766	4.1
335.23685	3.1
345.25732	1.2
347.27341	2.2
349.25201	2.2
363.26901	1.6
377.32074	2.3
379.86285	0.8
387.18167	1.1
387.30487	11.5
405.09940	1.3
405.31522	100.0
406.31866	4.8
421.92749	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	405.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05517	6.9
57.59341	0.8
61.29691	0.8
65.03944	1.1
67.05508	12.3
69.03425	2.0
69.07076	7.8
71.05003	1.1
79.05500	10.2
81.07063	25.2
82.23209	0.9
83.08630	4.7
85.06551	1.0
89.60870	0.8
91.05485	12.2
93.07053	21.9
93.62880	0.7
95.04983	5.0
95.08611	39.2
97.06532	3.2
97.10192	1.4
98.20765	1.5
99.08101	4.6
103.05492	1.2
105.07034	28.2
107.07857	1.6
107.08601	30.1
108.72559	0.8
109.06526	3.6
109.10159	19.0
111.08106	1.7
115.05436	1.3
117.07011	4.9
119.08587	36.8
121.10150	20.4
123.08088	3.3
123.11704	6.8
125.09669	3.7
128.06226	3.1
129.07022	4.7
130.07785	2.3
131.08582	20.1
133.09126	0.9
133.10138	19.3
135.08084	1.7
135.11708	8.3
137.09657	1.8
137.13216	1.4
141.07001	3.0
142.07809	4.6
143.08583	18.1
144.09341	1.8
145.10132	33.1
145.11290	1.6
146.10591	1.0
147.11696	14.0
149.09654	1.1
149.13283	5.2
151.11201	2.3
153.07033	1.0
154.07758	1.3
155.08533	6.1
156.09399	5.5
157.08914	1.7
157.10138	19.7
158.10841	2.6
159.11708	22.9
160.12102	1.0
161.09697	0.9
161.13295	8.4
163.11203	1.6
163.14824	5.2
167.08594	1.7
168.09335	1.9
169.10138	11.3
170.10892	3.2
171.11710	24.2
172.12477	1.6
173.09607	1.3
173.13280	22.6
174.13695	1.2
175.11220	1.9
175.14847	9.9
177.16414	4.3
179.08623	1.2
181.10165	3.7
182.10925	2.1
183.11700	13.9
184.12448	1.9
185.13268	24.2
187.14836	30.3
188.15236	1.1
189.12793	1.3
189.16472	5.3
193.10173	0.9
193.15907	1.0
195.11752	6.0
196.12492	1.6
197.13268	13.6
198.13968	1.7
199.14848	18.0
201.12753	2.8
201.16417	12.8
203.14342	2.9
203.17969	2.8
205.15892	2.5
207.11702	2.5
208.12509	1.2
209.13222	6.2
211.14825	11.5
213.16386	12.4
215.14168	0.9
215.17911	3.2
217.15903	2.6
221.13269	2.6
222.13960	1.0
223.14832	5.8
225.16473	6.4
227.18022	5.6
229.15897	1.9
229.19481	1.7
231.17471	2.4
233.13297	1.5
235.14844	1.2
237.16373	4.7
238.17032	0.9
239.17984	8.2
240.18729	1.0
241.15938	1.2
241.19551	3.5
243.17537	1.1
247.14828	0.9
249.16550	1.1
250.17445	0.8
251.18071	4.9
253.19466	4.8
254.20229	1.6
255.21126	1.8
261.16556	1.2
263.17972	2.2
265.19562	4.1
267.21069	5.0
277.19565	2.2
279.21069	3.2
281.19653	1.0
281.22418	4.2
283.20657	1.8
291.21075	2.2
293.22614	2.0
295.23944	1.2
297.22025	0.9
305.22849	1.3
307.24277	1.3
309.22076	2.4
311.23764	1.5
317.22559	1.9
321.22162	1.0
331.24161	2.0
333.25824	3.5
335.23773	3.6
345.25610	1.3
347.27353	2.1
349.25232	1.6
363.26654	1.2
377.32236	2.2
387.30453	8.7
388.31128	1.1
405.31528	100.0
406.31918	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	405.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05512	10.8
57.07063	4.0
65.03933	1.8
67.05507	12.8
69.03445	0.9
69.07067	13.2
70.60844	2.7
79.05495	10.5
81.07057	24.0
83.04979	1.1
83.08621	6.1
85.06556	1.1
91.05478	15.9
93.07043	26.0
95.04960	2.5
95.08609	37.5
97.06525	2.3
97.10161	1.4
103.05438	1.1
105.07035	35.9
107.04939	1.4
107.08595	38.1
109.06506	2.0
109.10155	20.0
111.08089	2.1
115.05390	1.4
116.06181	1.4
117.07016	8.5
119.06162	1.2
119.08585	56.6
120.08984	1.1
121.06567	1.3
121.09307	2.0
121.10150	32.3
123.08069	3.6
123.11713	9.0
125.09612	3.1
128.06221	3.4
129.07008	6.3
130.07802	3.6
131.08578	32.3
133.10133	30.2
135.08087	5.9
135.11696	14.9
137.09613	3.1
137.13242	3.5
141.07004	2.7
142.07780	9.0
143.08575	20.5
144.09383	6.1
145.10129	85.7
146.10492	1.5
147.08022	1.5
147.11702	18.6
149.09578	2.8
149.13255	10.8
151.11174	3.0
153.07031	1.2
154.07796	1.1
155.08597	8.9
156.09354	12.7
157.10143	40.8
158.10927	6.5
159.08028	1.2
159.11697	48.3
161.09590	2.0
161.13277	12.5
163.11205	3.7
163.14787	6.6
165.12752	1.3
167.08565	1.8
168.09363	2.9
169.10146	12.8
170.10925	11.6
171.11705	33.7
172.12425	2.3
173.09615	1.7
173.13272	42.8
175.11182	3.2
175.14838	13.6
177.12808	3.1
177.16408	11.8
179.14316	1.1
180.09387	1.4
181.10133	3.9
182.10922	3.3
183.11708	24.1
184.12531	4.4
185.13269	58.7
186.13887	1.6
187.14835	55.2
189.12762	2.0
189.16389	8.5
191.14272	3.0
191.17932	3.4
193.10164	1.9
194.11086	1.1
195.11740	5.6
196.12476	2.8
197.13274	10.1
198.13983	1.2
199.14830	69.0
200.15117	1.2
201.12730	3.8
201.16386	31.6
203.14310	4.0
203.17961	3.1
205.15883	21.5
207.11690	2.3
207.17461	3.5
209.13235	3.8
210.13951	1.8
211.14819	11.3
212.15587	1.2
213.16367	14.9
215.14256	2.5
215.17955	6.5
217.15923	2.3
217.19551	2.3
219.17473	2.9
221.13271	2.1
223.14908	5.3
225.16434	6.8
227.14542	1.1
227.17906	6.4
229.15892	2.1
229.19557	3.0
231.17491	4.2
233.18996	1.8
235.14864	2.2
237.16420	5.2
238.17239	1.3
239.17969	6.5
241.19536	2.7
247.14873	1.7
249.16216	1.9
251.17912	3.6
253.19476	7.1
255.17537	1.7
255.21117	1.8
263.17871	1.7
265.19501	4.5
267.21060	4.3
275.18079	1.2
277.19418	2.0
279.21140	2.1
291.20963	1.5
293.22546	1.4
296.07632	1.2
303.21036	1.7
307.24088	1.6
311.23630	1.0
317.22742	1.3
319.23969	1.4
321.22134	1.0
321.25882	1.2
331.24149	2.1
335.23666	1.8
347.27130	2.0
349.25229	3.2
363.26816	1.9
375.30594	1.2
377.32224	2.4
387.30408	12.4
405.31519	100.0
406.31653	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	405.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05513	5.9
57.07070	1.8
67.05498	9.7
69.07069	8.9
70.21672	3.7
79.05495	5.6
81.07064	13.2
82.33092	0.8
83.08604	3.4
91.05484	7.9
93.07038	12.0
95.04944	1.0
95.08610	34.3
97.06536	1.2
97.10178	2.3
101.24776	1.1
103.05441	1.1
105.07030	18.8
107.08598	19.1
109.06539	1.5
109.10165	16.5
111.08084	2.5
117.07011	5.0
119.08588	36.8
121.06509	2.8
121.10158	12.8
123.08073	1.5
123.11691	5.5
128.06216	1.2
129.06976	1.9
130.07776	1.1
131.08566	9.3
133.06477	6.9
133.10136	36.5
135.08029	6.5
135.11696	7.5
137.09648	1.5
137.13264	1.8
141.06985	1.0
142.07738	2.2
143.08548	7.8
144.09344	3.3
145.06480	1.1
145.10133	29.4
146.07259	1.7
146.10506	1.3
147.08064	8.3
147.11696	13.0
149.09647	2.6
149.13284	2.1
151.11165	1.4
155.08569	2.3
156.09367	2.5
157.10139	11.6
158.10878	1.8
159.08076	3.8
159.11703	29.1
159.13017	1.6
161.09625	31.8
161.13243	7.2
163.14825	4.2
169.10181	3.7
170.10928	2.1
171.08031	2.0
171.11685	11.0
171.98083	1.0
172.12482	1.1
173.09659	4.5
173.13286	12.3
174.10371	2.0
175.11194	2.9
175.14774	5.5
177.12811	1.9
177.16374	2.1
181.10205	1.5
182.10800	1.3
183.11671	5.6
185.09601	2.1
185.13252	7.8
186.10291	1.1
187.11235	2.1
187.14821	19.2
187.16423	1.3
188.11935	1.5
189.12802	2.7
189.16422	6.1
191.14291	1.7
191.17964	1.6
195.11708	1.8
196.12453	1.2
197.13269	4.5
199.11223	3.9
199.14841	7.8
201.12769	4.3
201.16377	8.4
203.14325	100.0
204.14609	1.6
205.15977	1.7
207.11678	2.2
209.13286	2.2
211.11084	1.2
211.14864	3.3
213.16411	4.2
215.14375	4.2
215.17960	17.6
217.15988	6.2
218.26353	1.1
223.14827	2.2
225.12758	1.0
225.16394	3.2
227.14284	3.3
227.17969	3.3
229.15875	4.0
229.19682	1.5
235.14803	1.7
237.16408	2.4
239.17928	3.4
241.15825	2.8
241.19543	3.0
243.17393	2.2
251.17990	3.1
252.18535	1.2
253.15889	1.6
253.19511	4.1
255.17491	1.9
263.17953	1.4
267.17453	3.4
267.21051	4.4
269.19107	5.7
269.21964	1.0
279.21146	1.4
281.18985	1.2
283.20828	1.7
293.22580	1.1
295.20688	2.4
297.22418	2.0
311.23798	1.7
317.22287	1.2
321.22269	1.7
335.23648	7.0
349.25293	3.5
363.26672	1.9
365.47534	1.0
377.32150	1.2
387.30472	3.8
405.31531	77.5
406.31915	4.3
422.02176	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	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24084	0.8
55.01878	4.4
55.05300	0.8
55.05513	10.1
57.03438	4.8
57.07084	4.7
61.74280	0.9
67.05508	6.8
69.03412	1.1
69.07065	12.5
71.08608	2.1
71.59572	1.4
79.05507	5.7
79.05885	1.1
81.07061	8.3
83.08626	10.3
91.05482	1.9
93.06340	0.7
93.07031	6.3
93.81236	0.8
95.08624	7.4
97.06540	1.3
97.10186	5.5
100.94666	0.8
104.94852	1.0
105.07027	2.1
107.08589	5.7
109.10149	4.7
111.08067	1.2
111.11750	1.5
113.00021	100.0
119.08594	3.0
120.61021	0.9
121.10127	5.6
123.11713	1.6
131.08621	1.2
133.10118	1.5
135.11679	2.8
137.13202	0.8
143.08568	1.1
145.10179	1.3
147.11681	1.4
149.13229	1.5
159.11787	1.4
169.02623	90.9
185.13228	1.0
197.13153	1.0
199.14857	1.4
219.21031	1.8
237.20102	0.8
237.22122	5.3
395.18170	0.9
405.35141	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	405.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.4
57.07081	2.4
65.03928	1.1
67.05503	12.7
67.24144	0.9
69.03426	1.7
69.07066	7.8
71.58289	1.0
79.05502	9.4
81.07059	24.9
83.08597	3.2
91.05475	14.6
92.64376	1.0
93.07049	23.2
95.04965	3.3
95.08609	32.7
97.06544	1.2
97.10168	1.9
100.63876	0.9
103.05477	1.5
104.52469	1.1
105.07035	28.5
107.07865	1.7
107.08595	30.7
109.06496	3.0
109.10162	13.1
111.08067	2.7
115.05441	1.7
117.06997	5.6
119.08587	31.6
120.38598	1.0
121.06539	1.0
121.10162	16.8
123.08051	3.0
123.11705	7.0
125.09635	4.0
128.06241	2.3
129.07024	7.9
131.08578	22.3
133.10132	13.4
135.08081	1.9
135.11699	9.0
137.09639	3.2
137.13187	1.9
141.07013	2.8
142.07802	4.6
143.08568	20.6
144.09378	1.8
145.10132	32.6
147.11682	14.2
149.09709	1.2
149.13225	5.2
151.11234	1.7
153.06950	1.2
155.08588	6.5
156.09349	5.8
157.10120	20.6
157.62665	1.1
158.10910	2.1
159.08049	2.2
159.11702	16.9
161.09708	1.6
161.13280	10.4
163.11264	1.2
163.14868	6.1
165.12729	1.7
168.09303	1.6
169.10101	10.1
170.10910	4.9
171.11700	25.6
172.12305	2.5
173.09590	2.0
173.13269	16.8
175.11212	1.1
175.14850	9.2
177.12724	1.5
177.16396	3.9
179.14290	1.4
181.10233	2.7
182.10893	1.8
183.11691	10.3
184.07365	1.6
184.12537	1.6
185.11618	1.5
185.13274	29.3
187.14824	31.3
189.12837	1.4
189.16522	5.2
193.10167	1.9
193.15923	1.2
195.11742	6.3
196.12463	1.6
197.13289	10.0
199.14804	15.2
201.12802	3.0
201.16380	13.8
203.14261	1.2
203.17903	3.2
205.15883	2.6
207.11690	1.9
209.13293	3.6
211.14868	10.2
212.15497	1.9
213.16386	14.0
215.14383	3.0
215.17995	3.7
217.15936	2.6
221.13130	1.7
223.14810	4.4
225.16411	6.1
227.18002	6.1
229.15892	3.5
229.19473	1.9
231.17506	2.5
235.14912	2.3
237.16364	4.9
239.17940	5.7
241.15833	1.5
241.19501	5.0
249.16411	2.2
251.18010	5.8
253.19533	6.0
255.21211	1.9
261.16458	1.3
263.17926	2.0
265.19519	4.0
267.21066	3.4
269.18900	1.2
277.19592	1.9
281.22647	3.1
291.21149	1.7
293.22641	1.3
307.24515	1.1
309.22235	5.9
317.22726	1.4
321.21973	1.5
331.24420	1.3
335.23715	4.4
345.25919	2.4
347.27292	2.8
363.26767	2.7
377.32117	2.6
387.30533	12.9
405.27444	3.6
405.31500	100.0
406.27182	1.4
406.31668	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	405.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28471	1.2
53.03937	1.7
55.01865	4.9
55.05511	6.7
57.03433	3.2
61.02928	2.9
63.94382	1.3
65.03936	1.3
67.05502	7.1
69.03430	12.9
69.07073	6.6
70.06580	4.8
70.99300	2.7
71.05018	3.0
72.08158	1.3
73.02911	2.6
77.84019	1.2
79.05483	3.9
81.03413	6.7
81.07056	8.6
83.04962	4.2
84.08130	4.7
85.02424	2.7
85.02907	42.8
85.06544	6.0
86.03242	1.7
86.09658	1.3
87.00824	4.2
91.03951	2.8
91.05492	1.6
93.07062	7.3
95.04947	2.7
95.08582	2.3
97.02902	12.8
97.06523	6.5
99.04453	5.8
99.08086	4.5
101.06020	12.4
105.01842	4.3
105.07040	2.3
107.08577	5.6
109.02868	5.5
109.06496	1.4
109.10180	3.2
111.08083	9.5
113.05963	2.7
115.05499	1.5
117.07050	2.0
119.08582	2.5
121.06532	2.7
121.10145	12.7
122.06812	1.8
123.08041	1.9
127.03924	13.3
127.07558	19.0
128.04266	2.7
129.05470	4.6
135.11716	5.9
139.07549	2.0
139.11191	30.2
144.01180	1.4
145.04973	11.7
145.10091	4.9
147.04446	2.1
153.12772	7.9
157.12242	2.2
163.03920	1.8
163.11212	7.2
167.07069	3.8
172.08270	1.4
181.04991	4.9
181.12245	16.3
199.13298	100.0
200.13544	1.6
207.06477	2.1
208.06903	3.4
223.13264	1.8
225.07935	1.4
225.14879	2.5
225.97202	1.5
227.16353	2.1
259.11212	2.7
285.03943	2.5
295.06238	1.5
325.16403	1.9
352.50446	1.4
355.09183	2.1
369.27402	2.2
379.03809	1.6
405.16702	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	405.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54714	0.9
53.03930	2.0
55.01867	1.5
65.03951	8.1
66.59758	1.2
67.05492	4.2
69.03405	3.1
69.07057	1.8
70.06567	1.9
70.77371	1.0
70.77719	2.5
79.05498	7.4
81.03419	5.6
81.07042	1.4
82.04194	3.4
85.02927	8.7
87.00846	1.8
91.05477	4.2
93.03413	2.6
93.07065	1.0
94.04169	1.6
95.04945	3.8
97.02887	3.3
97.06519	2.8
103.05449	1.5
105.04548	1.0
105.07026	1.6
107.04966	18.9
108.02079	1.3
109.02867	2.3
109.06522	2.6
110.03662	3.6
111.04492	1.2
115.05461	5.8
116.58250	1.0
117.07014	3.4
119.08635	1.6
121.06499	1.2
121.10188	1.0
122.03633	3.5
123.04441	2.3
124.05239	2.8
125.06030	4.4
127.03929	3.8
128.06242	3.5
129.07008	9.1
131.04962	2.1
131.08546	1.0
133.06488	2.8
135.04433	1.1
137.05988	38.8
138.03140	2.9
141.06975	1.1
142.02579	2.5
143.04910	5.0
144.05772	2.0
145.06473	5.0
146.03502	1.3
147.04410	1.4
147.08022	2.9
149.05891	1.3
151.03920	20.2
151.05086	2.0
152.04701	1.3
153.05434	4.5
155.04945	1.2
155.07086	1.4
157.06477	8.9
159.08058	1.6
160.05217	2.7
161.06024	5.5
161.09692	2.3
165.05486	1.1
166.02597	1.1
167.07053	32.3
171.04408	6.0
171.06534	3.6
172.05193	7.9
173.05962	3.0
175.07568	5.9
176.04803	1.5
181.04973	100.0
182.05240	1.7
183.06514	1.6
183.28331	1.2
187.07631	5.3
189.05411	2.5
189.09128	7.6
190.06238	1.3
191.06970	4.7
195.06512	2.2
200.04646	3.8
201.05435	2.0
203.07028	13.1
203.08728	1.4
204.07671	1.1
205.08582	4.5
206.05769	2.2
207.08211	1.1
207.10120	1.3
215.07021	1.2
218.05690	6.1
221.07994	7.8
221.09821	1.0
231.08206	1.1
233.08104	53.6
235.09610	1.6
245.08116	1.9
248.08270	1.6
249.09042	2.6
251.09227	2.3
263.09161	9.2
265.08621	1.6
277.08521	3.6
286.71973	1.1
293.07953	3.1
294.08688	1.1
297.11301	1.1
301.07126	1.4
305.08060	1.3
309.11258	2.9
322.08582	1.0
325.10806	1.5
337.10742	5.9
338.11069	1.4
339.12146	1.6
341.13803	1.5
342.10880	1.4
343.11938	1.4
351.12292	3.3
357.13260	10.8
369.13373	5.2
375.14499	2.1
387.14407	25.3
397.21625	0.9
405.17102	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	405.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01862	15.4
55.05503	11.6
56.11504	4.4
57.03426	8.6
61.02905	7.9
67.05501	11.9
68.99780	13.6
69.03436	31.9
69.07058	8.7
71.04984	6.0
71.59029	5.8
73.02923	5.5
79.05482	18.6
81.03410	19.4
81.07051	14.6
83.04976	11.1
85.02908	31.5
87.00848	22.3
91.05490	31.6
93.07062	23.2
93.67760	5.5
95.04971	13.4
95.08604	14.9
97.02900	15.3
97.06546	6.7
103.03976	6.1
105.01914	5.9
105.07049	45.1
106.77336	4.3
107.04964	13.1
107.08617	21.4
109.06503	10.0
109.10169	4.5
111.04433	15.0
114.64952	3.8
115.03918	5.1
115.05476	7.1
117.07008	17.0
119.08606	48.3
121.06503	4.0
121.10145	13.4
121.53255	4.0
123.08044	6.5
127.03893	7.1
128.06221	7.6
129.07008	10.3
130.07745	6.7
131.08592	44.5
133.06496	6.6
133.10132	95.0
135.08070	5.6
135.11714	13.5
137.05988	38.9
142.07770	11.5
143.08611	26.2
144.09212	4.4
145.06476	6.7
145.10153	44.1
147.08052	4.6
149.05930	5.0
149.09641	6.1
151.03876	12.6
155.08527	11.9
156.09349	12.8
157.06479	5.9
157.10127	33.4
158.10916	8.3
159.02924	4.9
159.08110	11.7
159.11726	17.1
161.06050	6.1
161.09647	5.7
161.13170	6.4
163.87694	4.3
167.07120	10.9
167.08485	4.8
169.10117	12.4
170.10933	5.7
171.11687	35.9
172.05212	17.3
173.09625	8.1
173.13280	38.0
175.07532	5.6
175.11227	5.2
179.08475	7.4
181.05005	27.1
181.10173	11.1
183.11766	12.1
184.12383	6.8
185.13274	47.0
187.14806	32.7
193.10118	9.6
195.11806	8.1
197.13243	33.5
198.10413	4.9
199.11182	6.0
199.14871	37.3
200.04657	7.9
201.16309	5.5
203.06985	5.9
207.11652	5.4
209.13324	5.7
211.14793	16.6
213.16385	8.3
215.14319	26.3
218.05765	13.3
221.13200	6.8
223.14720	7.5
227.14297	5.5
229.15761	7.1
233.08122	100.0
237.16368	6.4
239.14296	6.7
241.15773	9.9
244.09723	8.9
263.09219	13.8
265.15924	13.8
283.16980	25.1
301.18033	13.1
312.62122	4.5
343.80106	4.9
345.10727	6.9
375.14694	4.8
387.13748	23.7
387.18771	22.8
405.08936	5.0
405.19003	26.9
405.31665	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02061	0.9
69.03421	1.5
69.07027	1.1
70.06593	9.9
70.91138	1.9
71.67334	1.0
80.65199	0.9
85.02911	8.2
86.09702	1.8
87.62714	1.0
89.03898	1.2
91.05493	14.6
95.04971	1.2
97.02867	2.8
107.69534	1.1
112.07601	2.1
112.11745	0.9
117.03378	1.5
119.04953	22.8
125.29626	1.0
127.03921	2.3
129.03362	1.1
135.04448	2.5
138.97308	1.0
145.02832	2.5
145.04929	1.8
147.04424	18.5
149.02393	1.6
152.07065	1.1
157.03999	1.6
162.07649	1.2
163.03926	11.3
164.04697	2.5
164.07007	1.4
175.03918	34.1
179.06987	1.7
180.08586	1.2
192.04207	10.8
196.09712	3.2
207.06544	100.0
208.06889	2.3
225.07591	36.8
242.10225	11.5
292.14154	1.3
405.16821	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	405.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01873	3.3
63.36440	1.2
65.03941	1.3
67.05486	1.7
69.03437	2.4
69.78892	2.2
69.79305	6.1
70.06570	2.2
77.75167	1.4
79.05479	1.9
81.03407	1.8
81.07053	2.3
85.02900	3.4
86.59092	1.5
91.05470	4.5
93.07011	1.7
95.04951	2.0
95.08624	2.7
97.02868	3.2
97.06541	1.7
98.20795	1.5
102.30696	1.4
105.07038	4.1
107.04961	2.1
107.08595	2.1
107.30685	1.3
108.08131	2.7
108.52260	1.6
109.10175	1.8
118.96633	1.6
119.08558	3.3
120.08920	1.3
127.03813	2.5
129.07042	2.1
131.08568	2.2
133.10078	2.0
137.05965	5.4
144.08148	1.6
145.10143	3.3
147.04410	2.3
151.03911	4.0
161.05956	1.9
167.07085	5.4
173.13170	1.5
181.04974	12.0
184.07649	2.0
187.14680	1.9
189.10287	3.2
197.07071	11.8
197.10861	1.9
198.09253	2.9
199.08688	3.3
199.14757	1.7
202.08595	2.4
207.09192	1.7
210.07838	1.9
211.08638	17.7
213.10254	3.8
225.04468	2.2
225.06578	16.7
225.10135	10.3
226.05127	1.8
227.08110	4.2
227.11740	3.5
228.10289	1.9
229.09744	2.5
233.08109	6.1
239.04466	3.8
239.08163	36.9
240.08899	3.1
241.09714	1.5
243.07683	3.6
245.12851	42.8
253.05902	1.9
253.09746	25.1
255.07695	3.1
255.11292	3.8
257.05676	3.8
257.09210	11.8
267.07620	17.1
269.09128	2.6
271.07346	2.5
271.10764	12.3
273.08609	2.3
281.09213	21.6
283.10831	3.7
285.08685	6.5
289.11868	9.6
299.06879	3.8
299.10281	42.9
301.11932	3.7
309.08694	38.5
311.10217	4.0
317.11377	4.2
327.09747	62.7
328.10104	2.5
329.11227	7.0
331.09204	2.0
337.07913	2.5
345.10825	100.0
346.11353	2.9
355.09308	5.8
357.13141	2.0
373.10309	76.2
374.10648	3.0
387.11630	2.4
387.14999	1.5
405.12866	15.7
405.18423	3.7
405.31458	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	405.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32230	3.1
63.83195	3.3
69.03438	3.3
70.06587	7.2
71.58939	5.5
72.08146	9.5
81.03414	8.6
81.07056	4.2
83.04982	4.0
85.02901	14.2
86.09697	10.6
91.05475	3.8
91.20672	3.6
95.04973	5.3
97.02876	4.7
98.97586	3.7
99.04497	4.1
99.10524	3.3
101.69996	3.4
121.02872	78.8
124.03941	7.0
125.04360	3.7
127.03905	9.4
130.98100	3.8
137.05972	10.2
139.03900	11.4
145.04987	5.1
157.08340	9.5
159.11371	4.3
169.04915	4.0
185.07861	8.7
201.12439	3.8
208.06989	5.4
243.10931	4.4
257.72479	3.5
265.07077	4.0
269.08353	4.7
283.08136	4.7
293.39200	3.7
319.13690	21.5
361.14694	74.5
405.13553	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	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72844	4.0
53.03957	4.7
57.03421	4.8
61.02892	5.2
69.03423	22.2
70.06597	20.7
70.69427	7.7
72.08147	7.0
78.08842	5.1
79.28869	4.9
81.03416	13.6
82.06574	13.3
84.04492	5.0
84.08147	9.8
85.02914	56.2
85.84014	4.5
86.06081	4.7
86.09718	12.1
87.00825	11.5
91.05495	15.2
95.05026	4.4
97.02913	22.3
99.04489	6.7
100.07620	10.3
105.01877	16.4
109.02876	8.4
119.04963	28.0
120.62567	4.4
121.06537	11.2
124.07304	4.4
125.68658	4.1
127.03934	29.9
139.67950	4.0
145.05020	11.2
147.04416	19.3
163.03918	8.6
175.03925	47.4
189.03917	7.7
192.04190	15.5
207.06558	100.0
207.08418	9.0
225.07573	44.1
302.12204	5.0
404.14465	6.2
408.60315	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	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82580	0.6
55.29107	0.5
56.04408	0.5
57.03443	4.0
57.27558	0.6
65.03948	0.8
66.61321	0.5
67.05498	0.7
67.92491	0.6
69.03419	1.2
69.41015	3.8
69.41430	1.2
70.06580	1.1
75.04470	1.9
81.03455	0.9
82.93190	0.6
84.20311	0.6
84.89429	0.6
85.02921	4.1
86.09689	0.8
87.00819	0.5
91.05486	100.0
92.05806	1.2
93.07067	0.6
95.01337	1.7
95.08589	0.7
97.02892	1.7
102.20515	0.6
105.07036	0.8
113.02377	1.2
121.06512	0.9
124.03995	1.1
127.03924	1.9
131.03406	0.7
137.05986	10.6
141.01845	5.2
145.02896	0.6
159.75826	0.6
167.07101	1.0
182.05476	0.7
192.88501	0.6
193.08621	46.9
194.08940	0.9
211.09663	14.2
224.00180	0.9
242.08156	13.7
243.08568	0.7
302.64935	0.6
369.11975	0.9
404.13922	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	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.2
67.05521	0.9
67.87518	0.5
69.03432	1.1
69.07058	0.6
70.06594	1.4
71.09814	1.3
71.45657	0.6
73.02911	1.1
75.04478	1.9
81.03407	0.7
84.04539	0.5
85.02910	3.9
86.09718	0.9
91.05487	100.0
92.05811	1.3
93.07079	0.8
94.22739	0.6
95.01318	2.5
95.08648	0.7
97.02898	1.5
105.07053	0.8
109.02885	1.6
113.02359	0.6
124.03968	1.2
127.03953	1.3
128.04283	0.9
136.07550	0.8
137.05984	10.1
141.01804	4.9
159.02948	0.7
177.05450	0.9
181.04936	0.6
190.27173	0.6
193.08620	49.8
194.08900	0.7
196.00504	0.7
207.89206	0.6
211.09663	18.7
224.00084	0.9
224.09061	0.6
242.08145	13.5
268.08194	1.3
324.70642	0.6
328.95932	0.6
369.11816	1.4
381.14584	0.6
404.13568	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	404.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15265	0.5
65.35227	0.4
71.58842	0.5
86.09711	0.5
106.02938	0.6
124.03947	1.2
130.06567	1.0
131.05585	0.6
149.06639	1.7
153.05232	0.9
153.36446	0.6
166.48721	0.6
185.02982	0.5
190.05594	0.5
202.09285	2.8
203.04044	0.6
219.33226	0.5
220.10324	1.9
221.05000	2.4
224.08969	1.3
242.10007	4.1
257.08655	1.3
260.09882	1.4
275.09747	2.5
287.11075	7.7
305.10944	1.9
333.11536	2.1
376.14554	1.4
404.15234	100.0
405.15881	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	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.01871	8.2
57.03432	6.2
61.02910	9.6
68.99772	3.2
69.03429	35.8
70.06589	11.7
71.37813	3.1
73.02914	6.5
81.03410	22.7
85.02911	100.0
87.00838	41.8
91.03980	2.9
91.05488	15.3
93.07057	2.4
95.04966	2.2
97.02897	31.0
97.06371	2.3
99.04446	10.5
100.49994	2.1
103.03951	3.9
105.01878	60.0
108.04471	5.2
109.02884	26.6
112.07565	3.2
119.04955	16.9
121.06517	40.0
124.87500	2.5
126.05453	2.9
127.03926	67.4
129.01857	5.7
145.04988	31.7
145.06218	3.1
147.02888	2.6
147.04411	18.9
159.02905	14.3
159.08131	2.3
162.07571	2.3
163.03917	2.9
163.07504	4.2
166.88412	2.2
171.02829	4.1
174.45309	2.7
175.03940	29.3
181.04958	2.5
187.07570	3.3
189.03912	14.1
192.04152	6.6
205.08589	4.5
207.06537	81.7
208.41580	2.3
225.07603	25.0
229.08580	4.9
231.05040	20.6
247.09689	3.8
249.06227	2.7
365.39465	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	404.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	12.3
53.69094	2.6
55.01864	11.2
55.05521	2.4
57.03433	6.8
57.07083	2.8
60.04517	3.0
61.02916	10.9
61.37410	2.8
67.05499	5.2
67.91788	2.4
68.99789	4.0
69.03127	3.0
69.03436	35.1
69.67327	18.2
71.04987	11.8
73.02908	8.5
79.05499	3.1
81.02977	3.5
81.03422	43.0
85.02911	100.0
85.03419	4.9
85.85326	2.9
86.09694	3.6
87.00369	3.8
87.00842	52.8
89.41970	2.5
91.05465	6.9
93.07072	4.7
95.08605	18.6
97.02902	63.6
98.06022	3.6
99.04487	19.3
99.08136	2.8
101.95052	2.2
104.98828	2.6
105.01876	49.7
105.07024	7.7
106.02969	3.8
107.04985	2.5
108.04466	11.1
109.02896	37.6
117.01833	5.1
117.07014	11.2
119.04916	3.3
119.08583	6.4
121.02883	23.5
124.03927	2.9
126.05528	6.2
127.03930	82.6
127.07528	4.1
129.01854	3.3
130.06566	20.5
131.08534	5.5
133.83148	2.9
135.08124	2.9
136.07555	11.6
138.52036	2.6
139.03925	6.6
145.04973	37.6
159.02882	23.7
159.11673	3.7
165.05467	4.5
181.05083	3.2
182.08109	3.0
207.13817	9.4
213.04004	3.4
231.05002	14.4
242.07687	2.6
358.16501	5.7
404.08929	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	403.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99335	1.0
53.03177	1.0
53.03940	1.1
55.05523	5.5
57.07056	1.3
67.05502	7.7
69.07056	4.2
70.71461	1.0
71.35926	1.1
77.18331	0.9
79.05494	7.0
81.07059	11.8
83.08596	2.8
86.86324	1.2
91.05476	9.1
93.07047	13.8
95.04987	1.3
95.08605	24.2
97.06522	1.8
97.10153	1.3
105.07033	18.8
107.08601	23.8
109.06525	1.1
109.10158	14.3
109.75087	0.9
111.06577	1.0
111.08080	2.5
117.07048	5.1
119.08592	28.5
121.05668	1.1
121.06503	3.5
121.10146	10.6
123.08057	2.2
123.11723	2.9
128.06226	3.2
129.07019	5.0
130.07805	2.0
131.08588	13.5
133.06512	1.4
133.10132	37.7
134.10480	1.6
135.08018	6.3
135.11702	3.3
137.09621	1.8
141.07030	1.4
142.07767	4.5
143.08568	12.0
144.09323	3.7
145.06470	1.9
145.10133	43.1
147.08061	11.4
147.11688	9.3
149.09634	2.1
149.13249	1.9
155.08574	2.6
156.09344	5.7
157.10143	18.3
158.10925	2.3
159.08102	6.4
159.11693	23.6
161.09624	28.5
161.13258	7.4
163.14868	1.4
167.08588	1.6
169.10110	6.6
170.10942	5.7
171.08049	2.4
171.11723	16.4
172.08752	1.4
172.12369	2.3
173.09602	4.8
173.13281	14.1
173.45824	1.0
174.10396	2.2
175.11201	4.0
175.14789	4.8
180.09203	1.4
181.10196	2.3
182.10909	2.7
183.11717	8.2
184.12486	2.9
185.09621	2.8
185.13274	17.5
186.10417	3.4
187.11180	4.1
187.14832	57.0
188.11903	1.4
188.15300	1.4
189.12782	2.9
189.16380	2.3
191.14198	1.3
193.10208	2.9
194.10941	1.4
195.11766	4.6
196.12457	2.4
197.09605	1.1
197.13237	7.9
198.13953	1.3
199.11208	7.2
199.13103	1.9
199.14839	15.2
200.15506	1.1
201.12749	26.1
201.16373	7.4
203.14328	77.7
204.14662	2.5
206.10876	1.2
207.11649	2.2
208.12495	1.2
209.13271	4.3
211.11314	2.6
211.14848	5.0
213.12767	2.1
213.16383	18.3
215.14328	4.1
215.17929	7.4
217.15825	8.8
217.19360	1.4
219.11876	1.9
220.12550	1.2
221.13306	3.2
222.14107	1.2
223.11296	1.4
223.14816	4.4
225.12744	2.2
225.16353	2.3
227.14351	2.2
227.17987	1.6
229.15880	3.8
233.13084	1.4
235.14749	1.8
236.15576	1.6
237.16418	3.2
239.14230	1.4
239.17929	1.3
241.15770	1.9
249.16496	2.6
251.14230	1.2
251.18025	5.6
253.15889	1.5
253.19379	2.1
255.17761	1.2
257.18958	1.3
261.16446	1.4
263.17990	2.8
265.19562	2.8
267.17566	1.4
267.21152	3.1
269.19138	1.8
273.16223	1.1
275.18054	1.7
277.15988	1.5
277.19522	1.7
279.17694	1.3
279.21078	2.3
283.20572	3.0
291.21124	1.5
293.19058	1.9
295.20685	2.9
297.22125	1.0
307.20520	1.6
309.22110	3.4
321.22113	1.7
331.24115	1.4
333.22101	5.3
333.25784	1.8
347.23706	3.4
361.25293	1.4
373.25189	1.3
375.30582	3.2
385.28745	6.7
390.51028	1.2
403.29971	100.0
404.30505	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	403.1966
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.05519	24.0
61.38414	11.9
68.49151	12.4
69.03430	16.5
70.26398	15.0
70.26743	46.0
72.08152	55.1
76.97563	12.9
81.07031	19.7
83.04957	13.2
85.02910	21.8
86.09699	40.6
95.08588	35.6
97.02915	18.8
98.21426	13.9
107.08636	17.4
109.06541	12.5
117.07005	14.0
119.08585	36.0
127.03868	15.2
135.08054	95.3
137.05977	23.8
143.06966	13.2
153.24767	12.1
159.11713	25.1
165.09152	26.9
167.85138	12.5
175.11185	100.0
179.10718	31.9
193.12265	25.6
223.06375	30.6
223.13304	59.4
241.07414	26.0
263.82761	13.4
279.35764	12.0
309.28168	13.1
390.87997	14.8
403.13568	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	403.1388
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
55.01622	2.3
55.01875	36.0
55.05527	2.3
57.79914	1.5
65.03934	6.3
67.05508	8.6
68.35152	1.4
69.03438	10.1
69.07061	2.2
70.06586	4.3
71.05001	2.3
71.40552	3.1
79.05497	4.2
81.03436	2.3
81.07053	5.3
81.89368	2.0
83.05018	1.8
84.08150	4.8
85.02903	11.1
85.43462	1.7
86.09721	4.3
91.05467	6.3
93.07045	4.6
94.04179	4.1
95.04973	4.6
95.08572	4.1
97.02885	7.8
97.06602	1.7
103.05470	19.6
103.52422	1.7
105.07017	5.4
107.04962	8.1
107.08600	4.3
109.02904	2.7
109.10167	9.3
110.03632	4.1
111.04430	4.7
113.06021	1.7
115.05496	3.0
117.07008	7.6
119.04922	2.5
119.08579	2.9
119.21674	1.9
121.06503	6.2
121.10169	2.7
122.03678	10.6
123.04416	3.2
125.05981	3.4
127.03908	5.6
131.04947	35.6
133.06485	4.2
135.08000	3.7
137.05986	100.0
137.09604	13.9
138.03014	1.9
138.09142	6.7
139.07503	2.5
145.06453	8.6
147.04378	5.6
149.05972	4.7
149.09703	2.1
151.03920	19.5
153.05472	8.0
155.10651	14.7
159.04393	8.0
161.06004	8.2
163.07591	6.0
163.11159	2.2
167.07079	24.5
171.06508	3.8
173.05994	7.8
175.03925	3.9
176.04710	2.7
177.05524	10.3
179.07036	4.1
181.04968	62.2
189.05473	6.3
191.07063	15.1
193.08566	2.2
194.05750	4.2
201.05553	2.0
205.06651	2.5
205.08575	4.7
205.12086	1.7
207.06529	7.2
208.07312	3.3
209.08040	6.6
219.06531	11.3
221.08051	7.2
223.09612	6.4
223.13278	6.1
233.06027	2.2
233.08159	8.2
241.14388	2.2
250.06221	3.5
251.06660	2.6
251.09160	33.2
278.05753	4.9
279.06567	2.2
289.10681	11.5
293.08136	3.1
298.08310	2.2
307.06647	1.7
311.09219	3.0
321.07495	2.0
325.07730	1.9
329.10349	2.2
339.08661	7.7
373.12769	9.0
385.09216	4.8
403.13885	54.2
415.27020	1.7
419.06271	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	403.1011
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.03952	2.6
55.05506	5.1
56.96558	3.4
59.27470	1.7
69.03427	6.3
69.07051	4.9
69.39771	19.8
70.06585	8.7
71.04996	3.2
72.07803	2.8
72.08163	33.4
72.50571	1.9
72.93785	1.9
73.87472	1.8
81.03423	2.3
84.04533	3.2
84.08133	2.8
85.02913	6.3
86.09711	55.9
91.05493	3.7
93.07032	3.8
97.02911	2.8
98.97578	6.1
105.06971	2.8
107.04988	2.0
107.08590	2.9
109.02883	2.6
116.98595	2.6
117.07033	3.2
119.04980	2.5
121.06493	6.3
124.03948	2.1
127.03913	3.7
129.01865	3.6
131.04988	2.0
135.08101	3.0
139.00316	2.4
143.11787	3.6
145.04953	2.6
147.04449	3.0
153.05461	2.4
157.13428	3.2
167.07127	10.1
171.11279	7.2
172.52011	2.0
175.11038	2.6
177.00714	2.7
181.04985	3.7
185.12920	3.7
187.53712	2.2
201.12502	3.3
205.12317	3.0
207.06537	2.7
215.05896	2.8
219.01823	3.2
223.13403	3.8
233.14949	8.0
237.02885	3.0
284.19839	2.8
317.09052	6.8
359.10611	20.6
385.14499	4.9
403.09982	100.0
403.15182	13.7
404.09982	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	403.1007
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
52.99533	3.3
53.92094	2.8
53.94028	3.0
55.05516	7.5
56.96561	7.2
67.48829	3.0
69.03412	9.3
69.07055	8.0
70.06596	19.0
70.91265	7.4
71.04977	4.9
72.08157	79.6
78.49081	3.4
79.05496	4.1
81.03395	7.4
81.07034	4.6
83.04973	4.3
85.02909	15.7
86.07673	3.2
86.09213	6.1
86.09713	100.0
87.00777	4.5
91.05483	10.0
93.07043	18.9
95.04973	8.6
95.08591	7.8
97.02892	6.5
97.06532	3.9
98.97583	8.4
99.04461	4.9
105.01882	3.1
105.07025	6.8
109.02859	6.6
109.06525	3.3
109.10123	4.0
116.98572	4.7
117.07007	6.0
119.04979	3.8
119.08571	4.5
121.06535	28.7
123.08098	5.2
127.03905	9.5
128.98611	3.8
129.01854	3.4
129.10228	4.7
135.08051	11.5
135.92337	3.4
137.06012	3.4
137.09639	4.5
143.11813	6.4
144.06497	3.7
146.46016	3.2
147.04424	7.4
155.10622	4.0
157.13414	9.0
159.11761	5.5
171.11266	8.3
173.12924	5.7
175.03899	4.5
175.10953	10.0
177.12759	5.5
179.10690	5.9
181.05011	4.8
185.12849	7.5
187.10872	6.5
189.12350	7.2
193.12280	6.3
195.04933	3.3
201.12415	16.1
205.12206	19.8
207.06543	9.1
215.10258	4.3
219.01778	7.1
219.13356	6.5
223.13338	11.8
223.95483	3.6
225.07643	3.6
229.11745	6.1
237.02820	11.8
241.07425	3.9
315.04370	3.4
317.09045	13.4
335.10141	14.6
339.08368	4.8
359.10797	16.3
403.09860	91.9
403.14755	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	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33207	0.5
56.93267	0.7
57.03434	0.7
69.03444	4.2
69.50957	1.5
69.51363	3.0
70.03755	0.8
76.63784	0.7
79.05501	0.8
81.03416	1.4
85.02913	1.3
97.02885	1.3
99.04415	0.7
99.32285	0.8
103.05475	20.7
123.08081	1.8
127.03923	1.8
131.04935	100.0
132.05258	1.3
133.06482	0.7
135.08018	0.9
144.70047	0.7
181.04900	0.6
230.12677	0.9
275.09149	1.3
293.10187	21.1
298.15115	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	402.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60218	0.5
57.07074	1.9
57.81061	0.5
59.10625	0.4
65.03942	1.0
69.03431	0.9
69.61559	0.6
69.61965	2.7
81.03410	0.5
81.07058	0.6
81.85583	0.5
85.02911	2.1
93.03422	0.5
97.02905	0.7
97.75385	0.5
98.20721	1.0
100.99187	0.4
105.07049	0.7
121.02877	2.6
124.25289	0.4
127.03878	0.7
145.10181	0.5
149.02354	100.0
150.02692	1.9
167.03459	1.4
190.05095	0.6
205.08694	3.5
223.09682	8.9
396.07172	0.5
402.28998	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	402.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
67.05485	0.8
69.03435	3.8
69.49681	4.1
70.03770	1.1
70.06551	0.6
70.27415	0.5
81.03441	1.3
85.02891	1.1
95.04982	1.1
97.02905	1.6
103.05476	18.5
107.04929	0.8
107.08551	0.7
123.08063	1.2
127.03906	1.1
131.04938	100.0
132.05269	2.0
133.10181	0.9
137.05911	0.6
147.04440	0.8
149.06018	0.9
163.11189	0.6
192.07921	0.7
196.24307	0.6
200.61600	0.6
275.09204	1.2
293.10205	22.9
294.10648	0.8
402.28699	0.6
403.14233	0.7
418.35968	0.6
420.07562	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	402.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02817	2.0
56.50941	2.0
67.55528	2.1
70.06586	2.2
70.67164	6.6
78.79551	2.5
85.02891	3.6
96.04562	2.5
96.95648	2.1
97.02877	2.9
115.05453	7.0
120.08102	2.8
130.06540	100.0
133.06508	12.5
148.07603	10.4
158.06023	80.3
176.07147	7.9
186.05563	7.7
204.06595	31.0
222.07646	66.8
363.57895	2.6
367.89572	2.4
402.11584	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	401.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.05504	11.0
65.03946	2.9
67.05508	16.4
69.07069	12.7
69.62429	18.7
71.04992	8.5
79.05495	21.3
81.07060	27.0
83.08601	3.4
91.05485	46.9
93.07055	39.8
95.04958	12.7
95.08618	20.7
103.05458	3.2
105.07037	100.0
105.15922	2.9
107.08604	36.4
109.06528	56.1
109.10145	16.7
111.08071	6.4
115.05457	7.7
116.06259	2.9
117.07015	22.7
119.08592	74.9
121.10137	14.9
123.08088	6.0
128.06209	11.4
129.07001	23.4
130.07779	11.1
131.08578	51.8
133.10144	72.7
135.08047	14.3
135.11693	22.4
137.09625	5.2
141.06989	9.8
142.07790	24.1
143.08566	50.1
144.09302	7.8
145.09044	5.5
145.10135	95.6
145.11295	4.7
147.08028	5.0
147.11693	19.4
153.07016	3.8
154.07776	4.7
155.08551	21.8
156.09366	12.6
157.10141	58.4
157.93837	2.5
158.10905	10.4
159.11713	38.7
161.09654	3.7
161.13202	5.9
165.06996	6.5
166.07759	5.7
166.69170	2.4
167.08594	9.7
168.09317	6.9
169.10115	22.9
170.10919	5.5
171.11691	24.3
172.12489	5.8
173.13271	42.7
175.14897	19.5
179.08553	8.9
180.09326	5.8
181.10175	15.7
182.10904	8.3
183.11681	25.2
184.12476	5.0
185.13258	17.9
185.32339	2.5
187.14832	39.0
189.12679	3.5
193.10121	11.1
194.10909	9.4
195.11742	20.3
196.12468	5.5
197.13322	18.6
199.14847	13.8
201.12697	7.8
201.16393	5.6
204.09601	2.5
205.10156	3.9
206.10855	9.3
207.11697	17.8
208.12483	5.2
209.13232	23.3
211.14819	8.4
213.12743	5.8
213.16130	3.4
215.14423	3.5
219.11746	3.2
220.12381	3.0
221.13324	14.4
223.14792	10.9
227.14336	3.6
227.72240	3.1
231.11555	2.9
233.13266	6.3
235.14821	8.0
237.16418	10.4
239.17804	3.5
245.13377	3.0
246.13994	4.0
249.16547	5.0
251.17970	5.5
263.17923	8.4
265.19489	7.0
275.17822	3.3
277.19498	3.5
277.88437	2.8
343.24246	4.5
358.26831	4.3
401.28354	34.9
402.72321	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	16.5
55.01879	18.5
55.05517	22.1
57.03437	11.2
57.07080	4.5
61.02915	17.0
65.03946	3.6
67.05514	14.4
68.99780	16.1
69.03436	72.6
69.07075	38.5
69.14669	3.1
71.01364	3.8
71.04990	11.2
71.43462	4.7
71.98972	3.3
73.02910	6.2
79.05483	24.2
79.29412	3.0
81.03419	55.6
81.07060	64.5
83.04991	8.5
83.08627	14.4
85.02911	100.0
85.03436	5.9
85.06575	4.0
86.09716	4.5
87.00838	47.6
90.28701	3.5
91.05480	22.3
93.07045	50.0
95.04971	12.9
95.08611	41.0
97.02895	51.3
97.06541	44.4
98.42325	2.8
99.04465	22.0
105.01875	30.5
105.07033	21.1
107.04928	3.5
107.08597	65.6
108.40636	3.3
109.02891	47.5
109.06540	14.1
109.10169	21.2
111.04460	6.4
111.08070	5.3
115.03934	9.1
117.07044	6.2
119.04955	3.4
119.08591	29.7
121.06543	7.0
121.10160	11.8
123.04406	26.4
123.08073	5.3
123.11733	7.1
125.06087	3.0
125.63030	3.0
127.03929	82.5
127.04793	5.6
129.01855	19.3
129.07014	5.1
131.08585	7.2
133.06512	4.8
133.10153	9.7
135.08081	5.7
135.11710	46.9
137.05998	3.7
137.09642	5.5
137.13274	5.9
139.07516	3.7
142.07857	3.4
143.08566	5.7
145.02905	4.6
145.04996	20.8
145.10135	15.7
147.02933	10.6
147.08124	3.6
147.11702	10.9
151.07584	6.4
151.11188	11.5
153.12749	44.5
155.08604	3.5
157.10167	9.4
159.02914	15.3
159.08084	5.1
159.11720	8.8
161.09685	4.4
163.11214	13.6
165.01804	4.6
165.12782	11.4
167.07150	6.5
171.11636	5.0
173.09662	3.9
175.11276	6.7
177.05563	4.1
177.12817	8.5
179.07022	3.2
181.12172	3.7
187.11264	4.7
189.03941	6.4
189.12651	6.0
197.13290	4.5
201.12843	8.8
205.12387	3.4
213.03928	6.3
215.14366	5.6
219.13751	6.5
225.12653	4.4
231.05055	9.0
243.13834	20.6
261.14874	25.7
267.85809	3.1
279.15948	4.5
297.16980	5.1
306.78961	3.7
315.18127	3.7
321.17453	3.5
332.31009	3.3
347.14911	12.2
365.16074	7.4
383.16949	6.8
398.84460	3.2
401.17929	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	401.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92450	0.8
69.03438	2.1
69.20177	0.8
69.51293	7.0
71.18670	0.8
71.32368	0.8
73.02888	0.8
77.00924	1.5
81.03413	1.1
82.99873	1.9
85.02911	2.8
97.02912	3.2
98.97607	2.2
101.00881	10.3
105.00401	1.0
109.02866	1.4
112.89599	9.4
113.00897	2.4
114.89394	2.1
116.98584	1.0
118.97470	1.2
119.01930	19.8
127.02443	3.3
131.01913	8.2
133.03545	0.8
136.98509	5.8
137.02966	2.3
139.02451	2.2
143.01921	19.2
145.03471	11.5
147.01430	1.7
149.03026	1.3
154.99571	1.2
155.01892	19.8
155.03099	1.5
157.03496	10.4
161.02979	15.5
163.04486	0.9
166.99646	1.5
167.01926	9.8
169.03555	2.4
171.05077	1.4
173.02983	25.2
175.04559	1.7
178.99561	2.4
179.01953	2.8
181.05020	1.4
185.02966	37.3
186.03159	1.0
187.04526	3.6
191.03981	1.0
197.00687	3.5
197.02991	15.0
203.04027	8.6
208.04483	0.9
209.03052	2.2
215.02150	1.4
215.03922	6.1
221.00679	2.6
221.05052	8.0
227.03989	8.5
239.01762	10.4
239.06128	3.3
245.05092	100.0
246.05302	2.7
257.02762	12.3
257.05145	5.8
263.06140	15.8
275.06146	26.3
293.07208	3.1
299.06561	1.1
305.07175	10.0
335.08322	1.8
365.09155	6.7
383.10309	1.3
401.06833	11.3
401.11673	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
55.01876	19.5
55.05504	11.1
57.03422	11.2
61.02927	5.5
65.03937	4.9
65.34135	2.8
67.05216	3.3
67.05513	34.8
68.99795	11.8
69.03434	42.9
69.07065	13.7
69.73587	18.3
70.06580	6.9
71.01354	5.3
71.04990	11.6
73.02916	5.5
79.05500	43.8
81.03426	64.0
81.07066	91.8
83.04980	16.4
85.02908	41.6
85.06549	8.4
86.09698	11.5
87.00838	23.1
91.05488	32.5
91.41043	2.8
93.07059	42.0
94.07393	3.0
95.01337	8.9
95.04971	44.7
95.08621	19.3
97.02875	16.4
97.06529	8.2
99.04478	15.6
101.06019	6.2
103.03944	12.6
105.01861	9.0
105.07042	47.8
107.04955	12.4
107.08598	43.3
109.02866	12.5
109.06525	46.4
109.10165	23.8
111.04428	4.6
111.08068	6.4
113.06017	5.7
115.03918	5.5
117.07026	10.3
119.04933	3.6
119.08593	85.6
121.02877	23.4
121.03656	4.2
121.06516	12.4
121.10152	25.3
123.04440	100.0
123.08096	13.1
123.11703	3.1
125.06016	8.2
127.03900	12.7
128.06219	6.1
129.01849	13.5
129.05458	4.9
129.06999	6.8
131.08589	18.3
133.06511	8.9
133.10132	22.7
135.08049	11.3
135.11688	21.6
137.05978	5.9
137.09647	9.4
141.05467	13.2
141.07042	3.1
142.07790	13.8
143.08545	15.5
144.09248	2.9
145.06549	5.7
145.10127	39.1
147.02855	7.2
147.04457	5.1
147.08018	8.4
147.11697	14.9
149.05971	9.3
149.09558	7.9
151.07549	21.5
151.11171	7.2
153.12717	3.3
154.07980	4.1
155.07071	5.2
155.08574	8.2
156.90215	3.0
157.10135	24.8
159.02888	6.0
159.08064	7.1
159.11682	24.6
162.85947	3.3
163.11232	10.6
165.05484	11.1
165.09114	4.5
167.07074	12.4
169.10123	9.6
171.08055	3.5
171.11795	7.2
173.09650	5.2
173.13263	5.2
175.07666	3.8
175.11218	10.5
177.12741	6.8
179.07101	17.7
179.08356	2.8
183.11726	7.6
183.30927	3.0
187.11211	5.3
189.03967	9.1
189.12769	6.4
197.08081	11.8
197.13275	6.8
201.12735	11.1
207.11652	6.0
215.09200	3.4
215.14339	7.6
219.13863	4.6
225.12787	12.2
237.14999	4.2
243.13823	15.3
261.14883	9.3
283.08054	5.4
305.37393	2.8
347.14960	5.7
383.16879	9.2
401.17935	3.7
419.53052	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	400.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
56.96562	0.7
57.03445	2.0
57.46368	0.3
61.02940	0.4
65.23871	0.3
69.03431	2.3
70.06582	0.9
71.01360	0.5
71.58685	0.3
72.08135	0.3
73.02914	0.8
81.03436	0.6
85.02906	2.8
86.09726	0.3
87.04481	0.3
94.04055	0.4
97.02908	2.0
98.97587	0.9
99.04454	0.3
107.04965	2.1
109.02879	0.4
110.07186	0.5
115.03963	1.5
116.98701	0.4
119.03564	1.4
122.02730	0.3
127.03968	0.5
133.04996	1.2
134.09663	0.7
136.06198	100.0
137.04613	0.7
137.06544	0.9
147.04437	0.4
151.21732	0.3
152.07083	1.0
152.10699	0.4
203.32796	0.3
219.01837	0.5
220.17012	0.6
237.02844	0.8
250.09418	0.6
268.10416	8.0
319.08542	0.4
349.56094	0.3
364.84534	0.4
400.14792	2.7
400.22961	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	399.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22858	1.7
53.03922	2.3
54.07186	1.7
55.01862	2.5
55.05512	19.0
57.07063	8.1
58.24957	1.6
60.04508	2.0
60.29473	1.6
63.23789	1.9
64.90144	1.8
67.05233	1.7
67.05513	21.7
69.07076	18.9
71.08644	3.7
71.22715	4.5
79.05495	15.0
81.07062	52.6
83.04974	4.0
83.08611	9.9
85.06526	5.8
85.10130	2.1
86.06052	3.3
91.05467	14.2
93.06462	3.2
93.07043	42.5
95.04984	4.0
95.08612	100.0
97.06535	2.9
97.10172	5.8
99.04460	3.9
101.06017	10.5
105.07039	23.8
107.08599	56.6
109.06533	3.7
109.10159	34.4
110.04728	2.0
117.07029	2.0
119.08588	23.1
120.94066	2.1
121.00700	1.7
121.09311	3.0
121.10146	43.4
123.08075	2.6
123.11715	12.9
129.05476	3.5
131.08562	7.5
133.10136	22.9
135.08060	6.6
135.11700	47.2
137.13237	6.3
145.10072	8.1
147.11697	29.0
149.09595	4.0
149.12047	1.9
149.13261	33.5
151.14804	1.7
153.09122	7.1
159.11674	11.4
161.13289	14.0
163.11179	4.5
163.14813	7.2
166.25621	1.7
167.10744	2.2
171.11714	2.5
173.13228	10.9
175.14795	5.9
177.12714	9.4
177.16377	2.6
181.12256	3.1
187.14885	3.6
189.16405	10.3
191.14308	13.3
191.17952	60.6
192.18385	2.1
195.13808	16.2
201.16379	2.6
203.17914	18.0
205.19476	6.3
207.13795	8.2
209.15381	30.4
209.44440	2.0
217.19571	12.7
231.21054	2.4
243.21014	3.1
249.18265	2.1
257.22766	3.1
275.19925	2.2
333.01550	2.4
399.32504	45.2
406.53613	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	399.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90926	0.7
51.02368	1.0
53.03938	2.4
55.01871	1.3
55.05484	0.9
56.96566	1.0
57.03443	8.0
57.07069	1.3
60.28312	0.9
61.02916	2.5
69.03435	11.8
69.60519	3.9
69.60928	1.8
70.06585	4.2
70.06917	0.9
71.01331	1.3
71.04987	2.0
72.08156	1.8
73.02918	1.3
79.05518	1.0
80.46138	1.1
81.03420	8.4
83.04929	1.0
84.08079	1.1
85.02428	1.6
85.02911	27.3
86.09702	2.6
87.00827	1.0
87.04463	2.1
87.73183	1.0
91.03964	1.3
91.05479	1.2
95.04945	1.0
97.02893	9.1
99.04464	5.2
101.06019	0.9
101.64874	0.9
103.05473	53.1
105.07035	1.8
109.02882	4.8
111.04461	1.6
114.62859	0.9
115.03914	1.3
117.05496	2.7
117.07018	1.0
121.02872	17.4
127.03928	9.8
129.05478	1.5
130.04166	1.5
131.04936	100.0
132.04420	3.7
132.05273	1.0
133.04759	2.9
133.84645	0.9
135.08015	1.3
139.03854	1.3
145.04988	2.9
148.05191	12.2
161.06023	5.3
161.09566	1.1
163.07553	46.4
175.07555	1.3
201.09097	2.6
237.11191	1.7
371.90332	1.0
399.12186	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	399.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01866	2.9
57.03433	4.8
59.05026	1.4
62.73811	1.4
69.03072	2.3
69.03437	45.2
70.06586	5.6
71.01369	2.0
71.04993	8.6
71.50816	1.8
73.02912	2.2
79.05495	2.9
81.03420	32.3
81.07046	2.5
83.01350	3.9
83.04984	2.4
85.02910	49.9
86.09700	4.0
87.00835	29.3
87.04468	3.4
91.05470	2.0
95.08590	3.0
97.02898	69.7
98.03209	1.5
99.04467	26.9
101.06035	1.6
105.01865	21.1
105.07029	3.9
107.08624	1.7
109.02883	14.8
109.10169	1.7
116.04976	9.4
119.08581	2.4
123.08078	1.9
127.03922	100.0
131.08620	1.6
133.10172	1.6
137.09692	1.7
145.04967	58.4
152.07094	1.4
171.02899	2.9
213.03963	3.7
231.05017	82.6
232.05275	1.6
249.06107	11.1
303.12952	1.3
399.14175	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	398.9764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	8.3
59.88309	0.3
59.91947	0.3
70.04365	0.8
70.04779	0.7
71.95264	1.4
98.97588	75.2
99.97900	0.4
104.21207	0.3
116.98629	47.9
123.29168	0.3
130.93326	0.8
131.00117	0.4
134.99669	17.5
140.00226	1.2
153.00711	1.6
158.01236	0.7
172.94350	3.7
177.01080	0.4
190.95424	3.2
197.95270	0.5
208.96465	1.2
212.84984	0.4
214.95367	2.0
232.96475	6.5
250.97557	3.0
256.96448	14.8
258.99759	3.3
261.03156	0.7
274.97519	100.0
275.97903	1.1
277.00851	4.3
282.99930	0.6
288.99026	0.9
292.98572	56.8
293.98892	0.7
297.99152	3.1
298.97537	0.6
301.01147	0.7
301.33615	0.3
307.00116	0.6
310.99567	0.6
316.00153	1.5
316.98825	1.4
374.98752	0.4
398.97693	1.4
404.63226	0.4
416.98755	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	399.06
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	4.0
56.96570	62.0
63.15663	1.7
69.03429	6.1
69.79054	8.1
70.06581	7.2
71.95258	3.3
80.57369	1.9
81.03420	2.9
83.73334	1.7
84.38538	1.7
84.96036	16.1
85.02899	11.8
97.02911	8.1
98.97594	100.0
101.06042	3.8
102.97059	2.3
107.04978	2.5
109.02866	1.9
110.97585	21.3
111.04486	2.5
112.99163	5.4
116.98628	70.8
119.01971	4.3
124.99161	1.8
127.03915	3.7
128.98618	30.0
129.05405	1.9
131.00194	11.0
131.01907	4.0
134.99663	28.3
136.06203	5.6
140.00183	2.1
140.03154	2.6
140.98599	5.3
143.00168	15.2
144.98134	5.3
146.99657	20.4
149.01222	6.2
152.98601	2.4
153.00677	3.4
158.99690	14.4
161.01230	33.6
161.02682	2.9
162.99161	4.9
165.00745	2.7
169.01816	2.3
170.99669	7.4
173.01268	2.6
173.02982	3.2
174.99226	2.0
176.99046	2.5
177.00703	21.5
179.02292	11.3
182.99651	2.2
187.02818	4.5
189.00681	9.4
191.02287	2.0
194.99719	9.0
195.01570	4.1
199.99968	2.2
201.00661	12.3
203.74586	1.9
207.01648	2.0
213.00740	61.8
213.02451	3.5
219.01775	55.6
228.05859	2.0
231.01755	42.6
231.03864	3.1
234.99026	2.5
236.02231	2.9
237.00824	3.1
237.02821	72.6
237.08475	4.0
242.03409	2.7
249.02594	2.4
255.01711	5.7
255.03931	11.2
260.04648	2.3
263.04025	3.6
273.03006	3.3
279.03809	7.7
281.03006	2.6
285.02814	3.5
291.01859	7.8
309.02814	3.0
321.02847	2.6
339.03638	21.8
345.98398	2.1
357.04813	31.4
358.05978	1.9
375.06198	4.2
393.08868	3.8
399.05988	50.3
399.11292	2.9
404.32230	1.8
417.07053	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	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.04499	0.8
53.93441	0.9
55.01867	2.9
57.03429	3.8
57.07064	2.4
59.05008	9.6
61.02916	2.2
65.69746	0.9
67.05500	3.1
69.03429	8.6
69.07063	1.0
69.26537	6.4
69.26948	2.0
70.06583	2.3
71.04993	1.6
71.63426	0.9
72.41346	1.1
73.02911	1.2
81.03431	4.6
81.07056	1.8
84.59164	0.8
85.02420	1.6
85.02908	18.8
85.20441	1.0
86.09697	1.6
86.11938	0.9
87.00836	7.8
91.05483	1.6
93.07043	2.0
95.04968	0.9
95.08588	1.3
97.02882	7.5
99.04464	2.4
101.43020	0.8
105.01865	10.5
107.08565	2.1
109.02877	5.4
109.10188	1.6
111.11663	1.0
115.11223	1.4
121.10173	1.2
127.03914	11.3
133.10143	1.9
133.12239	1.6
134.04642	10.1
135.03065	0.9
145.04971	5.4
147.04402	1.9
148.04750	1.5
152.05643	1.4
159.02888	2.0
165.02299	5.7
169.12282	1.3
173.44975	0.9
175.09808	1.5
181.05383	0.9
182.04974	100.0
194.04903	3.0
201.02341	1.0
205.05440	2.7
216.04755	2.1
219.06998	1.2
227.17506	1.0
231.05014	2.1
231.07002	5.2
248.09660	12.0
266.10712	77.5
267.11002	1.6
398.14978	27.8
399.14819	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	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75253	2.8
53.03934	3.5
55.01867	4.6
57.03434	4.1
57.07064	6.9
59.05002	41.6
61.02915	4.1
62.99448	3.0
67.03963	2.8
67.47202	2.5
68.99799	2.6
69.03439	28.4
69.63733	20.7
69.83102	2.4
70.06569	3.4
71.04999	4.9
73.02915	7.7
78.68274	3.2
79.05493	3.7
81.03440	18.6
81.07053	4.4
85.02909	66.3
86.09710	3.2
87.00844	27.5
91.05488	6.2
97.02900	18.2
99.04443	7.8
101.02329	3.8
105.01883	59.4
105.07012	4.8
109.02888	19.6
109.10130	4.1
115.11196	8.5
127.03926	44.2
133.10042	3.0
133.12225	7.1
134.04639	9.2
145.04964	15.7
147.04375	3.5
147.11723	3.8
159.02893	6.6
165.02306	3.4
182.04970	100.0
187.82968	2.8
205.05449	3.3
213.03831	3.8
231.04967	12.9
231.06985	4.0
248.09599	9.3
249.05954	5.5
259.30450	3.4
266.10724	69.2
317.76440	3.3
367.04166	2.9
383.98956	3.3
398.14853	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	397.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.4
55.89318	3.6
57.07078	24.6
67.05504	33.2
69.07072	35.9
71.08634	20.0
71.20029	8.9
79.05496	16.9
81.07059	67.1
83.08629	19.1
85.10191	11.0
91.05482	17.9
93.07056	34.6
95.08611	65.9
97.10189	19.9
105.07024	39.9
107.08602	32.5
109.10166	44.7
111.11741	8.0
119.08587	32.4
121.10130	23.1
123.11716	20.2
131.08600	6.5
133.10130	22.4
135.11717	46.4
137.13261	5.1
145.10132	6.0
147.11696	58.7
149.13289	22.9
151.14798	5.6
159.11687	6.6
161.13268	55.1
161.29810	4.4
163.14830	9.8
173.13283	5.6
175.14792	20.7
187.14908	8.2
189.16402	14.8
201.16385	5.3
203.17874	6.7
215.17998	11.2
217.19496	5.1
229.19464	4.7
243.21254	7.2
257.22742	8.2
315.30640	6.9
353.76489	4.1
360.07001	4.2
397.38324	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	397.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05513	19.6
57.07073	23.2
61.93188	2.0
64.45243	2.0
67.05503	37.4
69.06720	3.1
69.07070	38.2
69.40909	1.9
70.98283	6.0
71.08636	18.5
74.83492	2.0
79.05495	22.3
81.07054	65.4
83.08627	18.8
85.10184	12.4
85.79433	2.0
91.05479	18.1
93.07040	40.1
95.04955	2.5
95.08614	62.4
97.10197	13.9
105.07032	36.0
107.08606	32.7
109.10156	45.0
111.11737	11.7
113.30886	2.1
117.06995	2.9
119.08588	35.4
121.10147	23.4
123.11709	14.0
125.13325	2.9
131.08609	3.8
133.10110	25.1
135.11713	36.2
137.13272	6.1
145.10126	8.0
147.10503	3.8
147.11685	70.4
149.13268	21.8
151.14876	2.6
152.51448	2.3
159.11716	11.2
161.13263	54.0
163.14807	9.1
165.16415	3.2
173.13275	5.2
175.14857	17.9
177.16348	3.1
179.17915	3.1
187.14821	5.5
189.16354	10.0
201.16463	5.7
203.18025	12.0
210.60867	2.5
215.17978	13.7
217.19536	4.9
229.19496	3.9
233.22704	2.6
243.21136	9.9
257.22696	7.2
261.25748	3.9
275.27487	3.7
287.27350	9.1
301.28964	3.8
308.18677	2.1
315.30405	5.0
341.74963	2.1
358.18335	2.2
397.38327	100.0
398.38852	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	397.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05514	14.7
57.03446	2.0
57.07084	3.0
60.04526	2.1
62.03968	1.8
67.05520	20.0
69.07073	11.7
70.30926	7.2
71.08657	3.0
79.05499	21.8
81.07062	58.3
83.08635	9.4
91.05492	19.2
93.07052	50.2
95.04981	2.0
95.08616	57.2
96.08994	1.8
97.10170	3.4
97.25711	1.9
105.07041	51.3
107.08605	66.8
109.10164	20.0
117.07041	5.3
119.08590	56.5
121.06480	1.9
121.10163	34.6
123.11715	4.2
131.08600	10.3
133.09225	3.5
133.10146	39.7
135.11702	20.4
137.13303	3.8
139.07649	2.0
143.08612	5.0
145.10129	16.0
147.11703	38.3
149.13272	95.2
150.13651	3.0
153.09146	4.0
157.10130	4.9
159.11714	17.0
161.13274	100.0
162.13589	3.1
163.14845	57.8
171.11676	4.5
173.13318	10.8
175.14844	42.2
175.16260	3.0
177.16360	9.2
185.13326	3.1
187.14830	7.3
189.16397	45.9
191.17960	6.3
199.14871	4.1
201.16409	25.4
203.17973	38.4
204.18266	2.0
205.19524	2.2
213.16457	3.3
215.17986	15.7
221.15395	3.1
227.18034	8.8
229.19574	2.9
235.16949	5.3
241.19594	7.0
243.21284	4.9
247.17024	14.4
249.18510	2.8
255.21115	7.2
261.18552	6.9
269.22632	3.8
271.58325	1.9
273.18448	4.4
275.19836	2.4
287.20071	4.9
289.21521	3.7
301.21661	2.6
315.05273	2.0
315.23517	2.0
351.30496	39.1
352.30801	2.2
354.36465	2.5
379.30045	2.6
397.31018	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20255	0.8
57.52565	0.7
59.06149	0.7
69.03419	1.2
70.06590	3.2
70.46371	1.6
70.46735	1.9
85.02918	1.9
127.03971	2.0
147.04413	1.1
149.02116	20.5
185.02933	1.9
185.04349	1.6
193.17702	0.8
213.12410	1.0
227.05339	2.9
271.04160	5.4
311.07358	9.8
353.08472	34.3
354.08691	0.9
397.07437	100.0
398.07883	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	397.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14898	1.4
53.03954	8.1
55.01866	4.6
55.05501	3.1
57.03425	2.2
59.04988	1.9
61.02925	3.3
65.63234	1.5
67.05507	3.5
68.99786	4.9
69.03441	26.0
71.04986	2.2
71.14162	2.7
71.14501	2.1
74.50932	1.4
75.51785	1.3
79.05499	22.2
79.74404	1.5
81.03423	20.6
81.07059	11.8
83.04985	2.6
85.02921	15.1
87.00846	8.6
89.03967	1.9
91.05491	19.7
93.07052	58.7
94.91591	1.7
95.01368	2.0
95.04983	4.9
95.08601	7.2
97.02905	25.6
97.06538	3.1
99.04449	4.3
101.02383	2.8
103.03938	1.8
103.05474	2.2
105.07037	20.4
107.04943	3.9
107.08607	26.3
109.02874	14.8
109.06551	7.5
109.10210	1.8
111.04458	2.3
113.02345	3.9
115.03944	2.5
115.05448	1.9
116.04987	21.6
119.08611	6.9
121.06541	7.6
121.10155	100.0
122.10476	2.6
123.08077	4.7
123.11706	4.4
125.02351	11.3
127.03930	16.3
129.01860	8.4
129.06969	3.0
131.08612	7.4
133.07617	2.0
133.10146	3.4
137.05969	2.1
141.06946	1.9
143.03409	14.3
147.02966	3.1
147.04314	2.0
147.08035	1.9
149.09634	40.1
159.11774	2.1
161.04446	5.5
167.10670	4.0
185.09630	2.2
212.07025	1.9
213.03859	2.0
229.03433	6.1
230.08041	1.4
234.96931	2.9
235.16945	1.7
247.04527	19.2
252.97968	5.2
287.60211	1.5
293.13953	2.0
351.11584	1.6
397.14981	18.6
397.21585	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	396.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01872	7.0
57.03431	5.3
61.02921	6.6
68.99783	3.3
69.03438	40.5
69.23783	1.5
69.56595	12.5
71.04987	5.0
73.02934	3.4
81.03419	30.9
81.07063	1.9
82.03757	2.8
85.02906	100.0
87.00293	2.8
87.00832	50.1
91.05482	10.3
92.05810	4.1
93.07065	2.1
97.02900	34.6
98.20750	3.6
99.04464	15.6
105.01871	77.6
108.04508	2.4
109.02884	36.6
110.03186	3.1
117.01862	1.7
119.04937	19.4
119.93158	1.8
120.05278	13.8
127.03923	66.0
129.01830	2.9
133.10071	2.5
145.04962	30.5
145.06013	3.0
147.04413	65.2
148.04753	63.8
159.02927	12.0
161.56586	1.7
168.21663	1.5
171.02866	2.0
189.04001	2.4
197.78784	1.6
209.82626	1.9
213.03920	2.7
231.04993	22.4
231.90167	1.7
249.06099	5.6
357.86227	1.7
378.33652	2.2
407.76016	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	395.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.6
57.07085	19.9
67.05517	20.0
68.26846	3.4
69.07082	31.7
71.08632	11.5
71.59610	6.6
71.59980	4.0
72.78936	3.4
78.23442	4.0
79.05495	10.8
79.78025	4.0
81.07064	51.7
83.08620	10.9
85.10181	10.2
87.43771	4.2
89.06070	5.0
91.05498	18.9
93.07051	13.1
95.08613	30.8
97.10165	14.0
105.07041	29.1
107.08638	21.5
109.10165	23.8
111.11720	9.9
117.07027	12.7
119.08597	12.2
121.10160	9.4
122.16627	3.7
123.11723	3.9
129.06956	5.7
131.08577	18.1
133.08617	3.7
133.10139	29.5
135.11649	4.8
137.13280	5.6
143.08569	6.8
145.10132	52.4
147.11688	27.9
159.11693	38.7
161.13255	9.9
162.78650	3.8
171.11679	6.4
173.13298	18.8
185.13306	9.6
187.14891	8.0
199.14871	13.4
201.16425	5.1
208.22586	4.3
213.16389	10.7
255.21075	5.8
327.14215	4.1
395.36734	100.0
396.37131	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	395.2946
Annotation	Sargaol
Peak:m/z	Relative Intensity
53.03925	2.0
53.85477	1.1
55.05292	0.9
55.05512	8.4
57.07076	2.0
63.51780	1.0
65.03949	2.1
67.05504	15.0
69.07072	13.0
69.66595	1.0
69.95890	5.6
70.28802	1.0
70.85880	0.8
78.09726	1.0
78.59258	1.0
79.05497	16.4
81.07056	34.6
83.08614	4.3
87.51475	1.3
91.04963	1.9
91.05479	20.0
93.07050	29.9
95.04945	1.4
95.08616	28.4
97.10156	2.2
105.07034	61.9
105.07753	3.0
107.08595	44.1
109.06474	1.2
109.10164	15.4
117.07040	8.7
119.08586	53.9
121.10155	13.2
123.11709	4.0
129.07007	4.5
130.07849	1.7
131.08563	22.5
133.10129	55.9
135.11703	25.1
137.13191	2.7
138.97614	1.0
142.07742	1.5
143.08548	7.4
144.09348	7.6
145.02774	1.3
145.10138	24.2
147.04401	1.4
147.11702	27.9
149.05817	1.2
149.13281	12.0
153.09146	1.1
155.08614	1.7
156.09303	1.3
157.10123	9.2
158.10977	1.3
159.11702	77.0
160.12115	1.4
161.13261	69.8
163.14847	7.8
169.10103	3.3
171.11711	9.5
173.13274	26.2
175.14832	19.3
177.16435	4.4
183.11684	6.4
185.13210	5.2
186.05269	3.0
187.14799	12.7
189.16382	24.1
191.17989	1.4
197.13266	3.6
199.14841	6.5
201.16371	23.7
203.17952	10.9
207.13919	1.3
211.14871	3.8
212.15317	1.2
213.16389	13.9
214.59674	1.5
215.17963	9.9
225.16379	4.9
227.17923	6.5
233.15367	1.8
235.17001	2.9
239.18011	4.4
241.19502	10.1
245.15361	1.7
247.17001	4.4
249.18544	1.7
253.19542	7.3
255.21176	2.2
259.16956	4.1
261.18546	5.4
267.21207	5.4
269.22650	2.5
271.16846	1.5
273.18506	2.5
279.21045	3.6
285.18448	4.9
287.20059	4.3
293.22461	2.1
299.19974	4.9
301.21484	1.7
307.24103	1.6
313.21594	4.5
325.21729	1.5
349.28900	34.3
350.29080	2.5
377.28384	1.8
395.29419	100.0
396.29858	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	395.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.1
53.03938	1.5
55.05511	7.9
55.31228	1.0
55.65855	1.0
57.07066	1.3
65.03940	1.4
67.05164	1.5
67.05507	17.2
69.07072	8.7
70.40233	2.8
79.05492	14.3
81.07063	35.3
83.08614	3.2
91.04947	1.7
91.05482	16.2
93.07050	28.7
95.04962	1.4
95.08611	33.9
97.10170	1.1
105.07037	53.1
107.07864	2.0
107.08596	39.2
109.10168	12.4
117.07036	8.7
119.04933	1.1
119.08585	52.6
120.08900	1.1
120.35731	1.0
121.10143	13.4
122.68932	1.0
123.11700	4.1
128.06146	1.2
129.06981	5.6
130.07771	2.4
131.08580	21.7
133.10139	48.5
135.11703	23.4
137.13182	1.0
141.06970	1.5
142.07784	2.3
142.90453	1.0
143.08531	6.9
144.09380	5.9
145.10133	22.5
146.10724	1.2
147.04457	1.7
147.11702	28.7
148.12103	1.3
149.13272	14.5
151.14799	1.2
153.09087	2.7
155.08574	2.1
157.10110	8.8
158.10953	1.5
159.11702	69.5
160.12021	1.4
161.13264	69.6
162.13615	1.2
163.14835	6.1
169.10159	4.1
171.11729	7.9
173.13278	25.1
175.07713	1.0
175.11278	1.2
175.14851	16.6
177.16371	3.2
183.11696	4.5
185.13239	5.1
186.05203	1.2
187.14807	12.1
189.16412	23.5
191.17966	1.7
195.11639	1.1
197.13278	3.4
199.14812	7.0
201.16394	25.0
203.17950	9.8
209.13264	1.2
211.14862	2.2
213.16383	12.3
215.17952	9.3
221.15431	1.8
225.16508	4.8
227.17957	6.7
231.17398	2.0
235.16940	2.3
237.16370	1.3
239.17950	4.9
241.19547	9.7
243.13741	1.5
243.21046	1.5
247.16936	4.2
249.14558	1.1
249.18518	2.5
253.19482	7.9
255.21077	3.1
259.16971	4.4
261.18597	2.8
267.21130	5.3
269.22668	2.0
271.16888	1.4
273.18475	2.0
279.21100	3.1
285.18500	4.7
285.21695	1.2
287.20099	5.5
293.22726	3.0
299.20197	4.7
301.21680	3.3
313.21582	5.4
315.23187	1.4
325.21957	1.4
349.28937	35.2
350.29037	1.4
377.28284	3.6
395.29446	100.0
396.29907	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	395.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
53.06394	0.6
55.01872	1.4
55.05512	2.0
56.52254	0.6
57.03436	1.1
57.07065	1.5
61.02914	1.1
65.03931	1.5
67.01865	1.1
67.05502	2.9
68.99808	1.4
69.03436	7.7
69.07072	2.4
71.05006	1.4
71.59298	0.7
73.02938	0.7
77.03907	0.8
79.05492	6.4
81.03424	9.2
81.07066	4.7
81.89811	0.7
83.04975	3.1
84.08144	1.2
85.02906	6.6
87.00829	2.5
91.05485	17.1
93.07053	3.6
95.04958	3.8
95.08619	2.4
97.02891	5.2
97.06507	0.9
99.04427	2.3
105.07044	7.7
107.04967	4.3
107.08600	11.6
109.02879	8.2
109.06532	4.0
109.10157	4.8
111.04415	1.1
115.03983	0.9
115.05450	1.7
117.07027	2.2
119.04956	27.8
119.08614	4.3
121.06529	2.9
121.10141	10.4
122.07317	4.5
123.04486	1.3
123.08065	1.6
125.02358	1.8
127.03913	8.0
129.01843	1.2
129.07045	1.3
131.08606	3.8
133.06531	1.2
133.10139	57.5
135.04427	3.1
135.08080	6.0
135.11694	2.4
137.05988	2.8
137.09622	41.0
138.47054	0.6
143.08586	1.8
145.05045	1.0
145.06540	1.6
145.10115	3.5
147.04420	100.0
147.08051	2.4
147.11697	2.0
148.04816	1.9
149.09604	2.5
149.13254	6.8
151.07458	0.9
157.10098	1.1
158.07230	0.8
158.10899	0.9
159.08134	0.8
159.11720	1.6
161.05988	1.0
161.09615	1.6
161.13261	0.9
163.03825	0.8
163.07552	0.9
163.11208	2.9
163.14864	1.0
165.05481	2.0
165.09081	0.7
171.08060	2.5
171.11736	1.5
173.09595	1.8
173.13272	2.5
175.07539	0.7
175.11215	2.0
177.12718	1.1
185.09650	0.6
187.06030	2.4
187.07532	0.8
187.11240	1.3
189.12799	1.8
191.10623	0.8
191.14311	9.7
193.12358	1.0
197.08076	0.8
197.09717	0.9
199.07661	0.9
201.12831	0.8
205.12253	0.8
213.12680	0.8
215.10835	0.8
215.14462	0.8
217.08594	0.7
231.13795	1.8
233.15405	0.7
235.82019	0.8
255.13872	2.9
273.14902	4.1
291.08673	1.9
291.16025	1.1
353.19226	0.7
377.08310	0.7
377.15701	0.8
395.09830	1.5
395.16800	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	395.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.2
67.05508	3.8
69.03423	15.1
69.07078	53.2
70.06591	6.4
71.59635	4.6
79.05522	3.1
81.03412	14.9
83.92116	3.9
85.02928	18.6
87.00839	7.5
87.04432	2.9
91.05486	15.1
93.07017	6.0
95.08627	3.9
97.02896	11.1
102.04900	3.5
105.01913	8.2
105.07036	6.6
107.04902	3.3
109.02885	10.5
111.11745	22.2
119.04963	25.3
119.08619	3.4
121.08386	3.7
127.03909	11.1
129.12762	15.3
131.08611	4.1
141.82370	3.4
145.10132	6.0
147.04424	100.0
155.40677	4.0
164.07095	3.7
275.36676	3.9
287.81076	3.7
291.08731	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	395.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.4
69.03420	17.0
69.07078	53.9
70.06602	3.9
70.75548	8.9
71.04983	5.9
75.70309	3.5
79.05489	6.3
81.03425	17.4
81.07062	4.9
85.02915	27.3
87.00832	12.9
87.08147	3.4
91.05476	17.3
93.07067	6.8
94.90022	4.3
95.04979	6.2
97.02911	16.6
98.20805	3.6
99.04484	4.3
102.64874	4.3
105.01855	14.2
107.04961	9.1
107.08592	4.6
109.02872	11.8
111.11725	13.0
119.04932	27.7
119.08548	6.9
121.06564	5.0
127.03941	24.1
129.12784	34.4
145.05013	5.8
145.10141	5.6
147.04430	100.0
148.72621	4.4
159.11684	5.5
215.10698	4.8
220.94949	4.3
293.50919	3.9
344.40829	3.9
395.16562	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	395.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03436	0.8
59.04992	0.9
61.13303	0.6
65.03953	1.0
67.05508	0.7
69.03411	2.8
70.06591	2.0
71.01329	0.9
71.58797	0.9
72.08154	0.8
73.02919	8.4
78.79083	0.8
79.41615	0.7
81.03407	3.4
81.07030	0.9
83.01337	2.7
85.02907	2.1
86.09702	1.2
87.04460	5.4
91.05482	7.8
97.02893	2.7
99.04461	1.3
105.07088	0.8
107.04973	1.1
109.02859	2.6
115.03929	1.8
115.05443	2.9
117.05771	2.9
117.07008	2.4
118.06548	40.7
119.04944	13.4
127.03909	4.2
130.06538	2.6
132.08095	41.3
133.04971	35.0
133.08453	0.8
133.26456	0.8
142.06525	3.0
143.07318	4.9
144.08090	53.2
146.06018	81.1
147.04416	49.4
147.93710	0.7
148.04669	1.3
148.78697	0.7
154.06516	0.9
158.08405	2.1
160.07587	1.9
161.04482	2.3
163.03842	1.5
165.05463	1.2
170.06013	7.3
171.09209	4.8
173.13158	0.8
188.07076	100.0
189.07330	1.4
200.05553	2.6
217.09772	10.1
234.96872	1.7
246.06152	3.1
252.97971	2.0
266.66101	0.7
349.13977	15.7
377.13284	1.9
395.09509	1.9
395.14313	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	395.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	1.5
56.96569	2.1
60.95962	1.5
69.03430	2.0
70.06579	2.1
71.04987	1.8
71.58729	2.2
74.06076	5.6
81.03434	2.0
85.02911	3.9
91.05479	5.3
97.02924	2.4
119.04942	11.3
119.89503	1.4
120.07146	1.8
120.08066	2.0
127.03963	3.0
129.10237	1.8
136.06248	2.5
147.04414	44.6
147.07669	2.5
162.04137	15.9
165.05444	1.8
210.34322	1.6
218.51801	1.5
219.06258	2.1
234.98965	3.6
263.08978	14.8
289.03741	1.9
306.15994	1.4
308.89111	1.6
317.51505	1.7
381.46259	1.7
395.13257	100.0
396.13644	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	395.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96843	0.6
53.03943	1.1
55.01863	1.0
57.03419	0.9
61.02925	1.4
65.03936	1.0
67.01855	1.1
68.99793	1.9
69.03434	5.4
71.04990	1.4
73.02904	0.6
79.05534	0.7
81.03423	6.0
81.07092	0.6
85.02914	8.5
87.00844	3.0
88.44086	0.6
91.05041	0.6
91.05489	13.6
93.07035	0.6
97.02912	2.7
98.45843	0.6
99.04459	2.4
103.03951	1.6
103.05482	1.3
105.01913	0.8
105.07030	1.4
107.04983	0.8
107.08628	0.7
109.02903	6.5
111.04480	0.7
115.05477	2.6
117.07014	4.0
119.04956	27.4
121.06521	0.8
123.04478	0.8
127.03926	6.0
128.06219	1.4
129.01854	1.9
129.07007	4.0
129.64577	0.6
131.04950	1.8
131.08533	1.0
132.02097	0.6
135.08101	0.6
137.05995	3.6
141.07014	1.7
143.04854	0.6
143.08560	1.0
144.05762	1.2
145.06519	3.4
147.04427	100.0
148.04774	2.1
151.07573	0.6
152.06329	0.7
153.06979	0.7
157.06540	3.4
158.07269	1.1
159.08006	0.8
160.05231	1.6
161.05994	1.3
162.06821	0.9
163.07556	1.6
165.05508	1.7
165.06952	1.4
167.08592	2.1
169.06516	1.9
171.08112	1.1
172.05145	1.1
174.06808	1.7
175.07553	11.1
177.09114	7.5
180.05800	0.6
181.06555	1.0
183.07982	0.9
184.93929	0.6
185.09622	1.1
186.06807	0.7
187.07555	10.8
187.11201	0.7
189.03955	0.9
189.09149	6.6
191.07092	1.1
191.10638	1.5
195.08093	2.8
197.06100	0.7
199.07611	0.8
201.09132	6.1
203.06952	0.7
203.10667	1.7
205.08635	0.9
213.09172	3.3
214.00690	0.6
215.10631	0.8
216.07869	0.7
217.08643	1.3
223.07635	1.4
227.10728	4.4
229.08621	1.3
231.10135	3.4
237.09140	0.7
243.10236	1.1
245.11739	1.0
255.10219	5.1
266.57748	0.7
273.11237	4.8
291.08792	1.5
291.11972	1.0
358.60440	0.8
377.08438	0.9
395.09790	1.7
416.38165	0.6
418.30719	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	395.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01877	0.3
55.93299	0.2
57.03442	1.0
61.02941	0.3
65.03943	0.9
67.00258	0.2
68.99807	0.6
69.03419	1.0
70.06585	0.5
70.50105	0.2
71.05010	0.8
71.16316	0.4
75.80549	0.2
79.63219	0.2
81.03421	5.0
84.08113	0.4
85.02912	4.8
86.09696	0.2
87.00848	1.2
89.02372	0.2
91.05486	12.0
97.02906	1.5
98.21423	0.2
99.04472	1.9
109.02873	2.1
119.04949	27.9
120.05279	0.4
127.03921	7.0
129.01848	0.3
145.12143	0.2
147.04416	100.0
148.04756	1.7
153.01869	0.3
165.05455	2.1
185.04224	0.4
193.36264	0.2
232.07101	0.9
233.07877	0.6
249.07506	0.4
268.04938	0.2
311.60928	0.2
331.52997	0.2
351.10699	0.5
377.08765	0.3
395.09525	5.4
395.13254	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	395.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
57.03421	1.0
69.03436	1.7
70.06599	1.4
70.19788	2.7
70.20201	1.4
73.02947	1.3
73.25036	0.8
76.12068	0.8
81.03430	5.6
84.08160	1.1
85.02935	4.9
87.00850	0.9
91.05483	9.3
97.02901	2.4
99.04472	3.0
102.32614	0.8
105.07011	0.9
109.02897	2.9
117.74358	0.8
118.06582	1.8
119.04956	25.7
127.03935	6.9
132.08124	2.4
133.05022	2.3
142.75386	0.8
144.08116	3.1
146.05989	4.7
147.04425	100.0
148.04758	1.8
165.05484	2.0
179.51807	0.8
185.04285	3.6
188.03770	1.1
188.07080	6.3
189.04053	1.0
217.04829	1.4
232.07089	10.7
233.07713	6.6
282.10934	0.8
291.08762	1.2
349.53711	0.8
364.11475	0.9
378.15201	0.9
395.13300	76.0
396.13977	1.1
414.77237	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	395.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
57.03424	0.9
65.03931	1.3
65.40297	0.2
68.99770	0.4
69.03429	1.9
69.49104	1.8
71.04985	0.8
77.25599	0.3
81.03423	4.7
84.08129	0.5
84.23714	0.2
85.02911	3.7
87.00834	1.0
91.05485	11.1
95.08553	0.3
97.02907	1.8
98.20719	0.3
99.04476	1.9
105.07007	0.2
109.02895	3.2
119.04952	27.3
120.05171	0.3
127.03918	5.7
133.10069	0.2
145.10091	0.3
147.04417	100.0
148.04720	1.6
165.05499	2.1
179.03854	0.2
185.87883	0.2
185.90004	0.3
208.37672	0.2
249.07652	0.4
271.63428	0.2
291.08704	0.7
377.08340	0.4
395.09790	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	395.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
57.01546	0.1
57.03430	0.4
61.02924	0.4
65.03925	1.1
67.01873	0.9
68.99792	0.8
69.03436	2.6
70.48090	0.2
71.03668	0.3
71.04995	1.0
73.24491	0.2
81.03423	4.8
85.02911	3.0
87.00822	0.9
89.55952	0.2
91.05486	11.6
93.07052	0.2
97.02898	2.3
99.04469	1.5
105.01863	0.2
109.02884	6.0
119.04949	26.1
120.05276	0.4
127.03930	4.8
129.01833	1.0
145.05009	0.2
145.10133	0.2
147.04416	100.0
147.42853	0.2
148.04747	1.5
165.05478	1.6
233.11931	0.2
255.57019	0.2
291.08670	2.1
377.08530	0.8
395.09772	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	395.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.05507	0.8
57.03429	0.3
57.07054	0.3
65.03931	1.1
67.01861	1.1
67.05505	1.2
69.03435	2.8
69.07059	0.7
70.48925	0.2
71.04979	0.9
71.58539	0.4
79.05486	0.6
81.02982	0.4
81.03428	4.8
81.07061	1.7
83.08607	0.5
85.02901	2.7
87.00827	1.0
91.05489	13.0
93.07072	1.7
95.04960	0.3
95.08627	1.5
97.02901	2.4
99.04467	1.8
105.07032	2.2
107.08602	1.4
109.02888	7.3
109.10155	0.9
117.07053	0.3
119.04949	26.6
119.08578	1.9
120.05289	0.5
121.10134	0.8
123.11698	0.4
127.03924	4.0
129.01828	0.4
131.08592	1.2
133.10173	1.4
135.08026	0.4
135.11797	0.5
143.08527	0.4
145.10135	1.0
147.04417	100.0
147.11679	0.9
148.04736	2.0
149.13234	0.5
157.10161	0.4
159.11707	1.8
161.09584	0.3
161.13264	1.8
163.14781	0.3
165.05502	1.7
171.11690	0.3
173.09662	0.3
173.13289	0.6
175.14848	0.5
185.13254	0.3
187.07617	0.3
187.14871	0.5
189.16446	0.8
199.14851	0.3
201.16403	0.8
203.17950	0.3
213.16539	0.3
227.17975	0.4
231.06607	0.5
291.08652	2.0
312.55011	0.3
333.29410	0.3
342.00092	0.3
349.28818	0.5
350.20032	0.3
377.08698	0.6
395.09845	1.7
395.16483	0.4
395.29364	2.4
395.33572	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	395.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
53.48148	0.2
53.97868	0.2
56.62220	0.2
57.03445	0.2
61.02932	0.3
65.03942	1.0
67.01857	0.9
68.99786	0.4
69.03438	2.9
71.04982	0.8
79.57655	0.3
80.40513	0.2
81.02972	0.4
81.03430	5.1
85.02913	2.5
87.00838	0.7
91.05489	12.0
95.88171	0.2
97.02902	2.2
99.04462	1.4
109.02135	0.3
109.02892	7.2
119.04956	27.5
120.05253	0.4
126.20422	0.3
127.03933	4.5
129.01819	0.6
145.10107	0.3
147.04425	100.0
148.04749	1.7
165.05515	1.8
172.20868	0.2
291.08652	2.0
335.07755	0.3
367.12280	0.2
377.08606	0.7
395.09799	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	395.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43507	0.3
50.43883	0.3
53.03954	1.3
65.03932	1.2
67.01855	1.0
69.03436	3.1
70.00497	0.9
71.04982	1.2
81.03414	5.2
85.02902	2.5
87.00828	0.5
89.30318	0.3
91.05486	10.0
92.83916	0.3
93.38620	0.2
95.05014	0.3
97.02890	2.9
99.04459	1.5
109.02880	7.2
119.04949	26.7
127.03914	5.1
147.04410	100.0
148.04770	1.5
165.05490	1.9
174.45862	0.3
191.10820	0.3
291.08582	2.5
377.08630	1.0
395.09851	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	395.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
57.03424	0.3
60.84789	0.3
65.03931	1.0
67.01856	0.8
68.99784	0.4
69.03430	3.3
70.76887	0.6
70.77280	0.6
71.04980	0.7
81.03423	5.2
85.02911	3.6
86.78147	0.3
87.00825	0.8
91.05482	13.0
97.02887	2.6
99.04462	1.3
109.02884	5.7
119.04945	26.0
120.05278	0.4
127.03921	5.1
127.41299	0.3
129.01843	0.6
145.04941	0.4
147.04413	100.0
148.04706	2.1
165.05507	2.2
205.60359	0.3
212.30347	0.3
213.03862	0.4
215.80659	0.3
221.93456	0.3
291.08633	2.3
377.08972	0.6
395.09796	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	395.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
53.84187	0.2
56.56564	0.2
56.86597	0.2
57.03437	0.4
65.03944	1.2
67.01868	1.0
68.99784	0.3
69.03437	3.3
70.84361	0.4
71.05004	1.2
81.03421	5.4
85.02908	2.2
87.00834	0.9
88.36849	0.2
91.05485	12.4
95.04935	0.2
95.96540	0.2
96.64632	0.2
97.02894	2.2
99.04454	1.2
109.02885	7.1
113.26763	0.2
119.04949	29.0
120.05272	0.6
127.03923	4.2
129.01831	0.2
135.50645	0.2
145.06540	0.2
147.04416	100.0
148.04742	1.9
155.97493	0.2
160.84454	0.2
165.05489	2.1
165.94531	0.2
254.84145	0.2
271.29626	0.2
291.08704	2.4
309.09561	0.3
377.08615	0.6
395.09763	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	395.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	8.7
58.26774	8.6
61.13683	7.7
61.25171	8.2
69.07065	39.4
70.06575	12.8
70.53035	14.4
70.53387	20.8
79.05533	10.6
81.03413	10.2
83.58631	8.5
84.96030	10.0
85.02885	10.1
91.05473	29.0
97.02894	12.3
98.97593	40.3
109.02888	10.5
109.90827	8.5
110.97572	12.4
111.11736	10.9
116.98618	19.6
119.04943	23.5
127.03930	9.8
128.98624	8.3
147.04440	89.4
219.01761	15.6
237.02850	9.5
309.06589	20.8
327.07516	66.3
370.87277	8.0
395.07333	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	395.0863
Annotation	FL 120B'
Peak:m/z	Relative Intensity
56.96572	16.8
60.98917	1.0
66.26875	1.1
67.92429	1.0
69.03445	1.8
69.07088	1.0
70.98140	2.0
71.57789	2.3
73.02916	1.4
73.22959	1.2
84.96036	3.4
85.02910	1.9
85.18120	1.1
88.99174	1.5
97.02915	1.9
98.97591	100.0
101.00921	1.4
101.88881	1.2
110.97567	14.5
112.99115	8.0
116.98627	35.8
119.01946	1.7
122.41959	1.3
124.99097	5.8
128.98607	14.7
130.08621	1.2
131.00142	8.1
133.89049	1.1
134.99675	6.9
143.00197	11.8
143.01945	1.6
146.99652	10.0
149.01279	2.5
152.98639	1.8
155.00185	2.5
156.98007	1.3
157.01811	1.2
158.99673	44.7
161.01254	8.3
161.02991	2.8
165.00731	3.0
170.99670	5.8
173.01262	4.9
173.02803	1.9
174.99269	1.8
177.00735	33.2
179.02193	1.4
182.98160	1.3
185.01233	11.7
185.02748	1.9
187.00375	1.5
189.00768	10.0
191.02292	3.1
193.00137	1.7
195.01849	1.3
197.01274	2.6
201.00729	5.5
203.02278	8.7
207.01801	5.2
209.01178	1.7
215.02309	5.3
219.01785	51.1
220.02396	1.5
233.03259	2.4
237.02838	40.3
245.03282	6.4
245.05426	1.4
255.03848	1.3
257.03314	3.8
261.02820	4.5
267.03973	2.4
275.04346	4.5
279.03900	12.5
287.04434	5.1
291.09344	2.0
293.05432	4.8
295.03372	1.1
295.07062	4.1
305.05344	9.2
317.05084	5.4
321.04871	3.5
323.06473	4.3
335.06497	30.1
353.07544	21.9
377.07535	2.2
395.08832	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	393.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	36.6
56.26850	3.6
57.07084	21.9
67.05516	13.7
69.07076	39.3
71.08624	8.6
76.27522	3.6
79.05499	12.8
81.07064	48.7
83.08620	100.0
85.10166	4.0
91.05492	12.1
93.07044	9.6
95.08615	16.1
96.79299	3.3
97.10194	9.0
105.07034	11.3
107.08603	15.4
109.10162	6.5
117.07066	4.7
119.08549	6.6
121.10173	8.1
123.11756	6.6
124.30145	4.4
131.08572	10.4
133.10135	15.2
135.11708	5.4
137.13268	5.9
143.08485	7.3
145.10139	17.0
147.11707	12.3
149.13235	7.3
157.10156	23.1
159.11720	15.9
161.13283	5.5
171.11748	10.6
173.13313	7.5
185.13242	9.2
187.14874	5.5
201.16458	7.0
211.14883	6.4
213.16446	6.8
239.17952	7.2
241.19524	4.8
253.19609	10.3
279.86295	3.4
295.24142	19.2
300.76035	4.0
309.25854	12.2
393.35153	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.01853	3.8
63.00067	2.3
64.59637	2.5
65.03938	3.5
67.05463	3.6
69.03419	5.7
70.06586	4.4
71.39944	4.7
72.08160	19.0
81.03414	5.1
81.07069	16.5
84.04487	7.3
85.02893	5.3
86.09699	5.2
91.05488	21.8
97.02878	6.8
99.04446	3.9
102.05570	3.5
109.02867	9.9
109.06516	7.0
119.04960	20.6
120.08109	20.2
123.04440	31.2
125.05995	5.5
127.03905	5.9
129.38939	2.6
133.10114	4.1
136.07625	3.1
137.05994	100.0
137.07047	5.5
137.09572	2.6
138.05482	6.8
138.09158	2.5
147.04424	90.1
152.07083	11.9
161.09595	6.2
166.08662	7.2
168.10194	4.3
179.10693	51.7
182.46216	2.3
197.11745	54.9
201.12347	5.4
206.50987	2.6
216.08705	4.4
217.09164	4.9
229.11824	3.8
241.09102	5.4
242.07893	2.6
244.09454	3.2
256.08124	5.2
258.11295	9.4
285.57425	2.4
291.08569	3.2
301.11191	6.0
318.13428	3.3
362.12357	8.3
394.15317	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	393.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.1
55.05507	19.5
57.07066	14.0
61.04117	5.1
65.03918	6.2
67.05513	46.7
69.07065	22.6
69.34830	5.9
69.35134	52.1
71.08633	10.1
72.96719	5.6
79.05486	44.3
81.07066	70.2
83.05007	5.5
83.08614	11.9
85.06513	5.7
89.06021	9.9
91.05500	48.3
93.07061	88.3
95.04976	45.2
95.08619	68.7
97.06540	10.2
98.98469	9.5
105.07051	100.0
106.07340	6.5
107.08619	53.6
109.06508	12.0
109.10158	25.5
113.44945	6.2
117.07009	21.3
119.08598	89.3
121.06524	24.2
121.10168	37.8
123.08083	7.0
123.11736	13.4
128.06265	10.2
129.06998	18.1
130.07814	10.2
131.08585	37.6
133.10162	53.0
135.11749	28.1
142.07808	26.9
143.08585	21.8
144.09349	7.4
145.06558	7.2
145.10138	71.0
146.06934	5.1
147.08101	8.3
147.11713	23.8
155.01070	8.4
155.08594	15.7
156.09358	10.3
157.10164	56.1
159.11694	45.2
161.09645	21.7
161.13283	7.5
169.10136	25.0
171.11685	20.9
173.13274	24.1
175.11229	9.7
175.14807	9.0
181.10124	6.5
182.10924	7.3
183.11757	16.7
185.13319	13.9
187.14769	14.4
193.10194	9.7
195.11803	18.6
197.13376	9.6
199.14883	10.1
201.16415	10.4
209.13307	8.4
211.14836	12.4
213.16504	8.1
223.14862	9.0
235.15019	5.8
239.17900	7.0
241.19437	7.6
326.23859	6.6
357.36917	6.2
393.27716	14.6
393.35275	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25989	6.9
55.05512	14.6
57.07067	26.3
67.05511	41.2
68.83869	5.9
69.07078	28.7
71.08625	17.6
71.59264	4.7
79.05501	39.8
81.07066	96.6
81.27289	5.9
83.08605	17.0
85.10188	8.1
91.05491	56.2
93.07051	67.0
95.04979	38.4
95.08614	100.0
97.06504	7.4
97.10149	8.8
98.98457	28.0
103.48248	5.5
105.07032	89.6
107.08607	65.6
109.06550	11.1
109.10169	47.4
117.07040	18.8
119.08584	99.2
119.35137	6.1
121.06524	10.1
121.10147	40.5
123.08083	8.8
123.11737	28.5
127.68467	5.3
128.06221	10.1
129.07001	10.6
131.08577	40.6
133.10139	45.6
135.11681	22.4
137.13246	9.3
142.07755	14.4
143.08545	23.2
145.10109	51.0
147.11673	26.7
149.09644	7.1
149.13274	14.7
155.01071	51.5
155.08582	6.7
157.10121	44.2
159.11690	45.8
161.09546	12.2
161.13269	10.3
169.10143	17.4
171.11697	22.0
173.13254	26.0
175.11156	9.0
175.14815	17.0
183.11664	15.8
185.13326	13.6
187.14760	15.8
189.16350	8.0
195.11896	12.3
197.13248	11.0
199.14821	7.6
201.16452	13.3
209.13356	8.6
211.14793	12.0
213.16432	13.3
215.17955	8.5
217.19208	6.5
241.19559	7.6
393.27707	9.2
393.35251	46.8
417.91138	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.4
53.03940	8.5
55.01875	2.2
55.05514	18.7
55.69645	2.1
57.07068	10.1
65.03942	5.6
67.05506	28.9
68.89776	2.3
69.03418	3.7
69.07067	20.6
69.61956	14.6
79.05497	38.7
80.06308	2.3
80.54732	2.3
81.07063	57.6
83.04960	5.3
83.08617	8.6
85.06537	4.6
91.05483	57.6
92.05781	3.8
93.06462	4.1
93.07052	73.5
94.07368	3.5
95.04980	61.1
95.08616	52.4
97.06526	7.2
98.21468	5.1
103.05451	4.4
105.04533	3.3
105.07039	100.0
106.07333	4.8
107.04958	2.7
107.08601	48.7
109.06519	18.9
109.10162	23.0
115.05439	5.4
117.07021	23.4
119.08592	87.3
120.08858	3.2
121.06543	16.6
121.10158	31.4
123.08072	7.9
123.11720	9.0
128.06239	14.6
129.07054	19.7
130.07809	10.6
131.08582	46.6
132.09103	2.0
133.06509	6.2
133.10138	46.7
135.08058	6.4
135.11691	15.5
141.07024	8.8
142.07784	23.1
143.08588	35.9
144.09349	11.2
145.06461	4.5
145.10135	67.8
146.10478	5.9
147.08052	5.0
147.11691	23.3
149.09650	3.9
149.13298	2.4
153.06937	2.5
154.07774	5.7
155.01048	2.6
155.08623	13.4
156.09407	11.4
157.08928	4.2
157.10144	58.8
158.10751	8.4
159.08035	7.5
159.11713	45.8
160.12183	3.6
161.09619	18.7
161.13257	8.0
163.11189	3.8
165.07022	4.1
167.08578	7.2
168.09355	7.6
169.10150	22.7
170.10834	9.4
171.11671	26.3
172.12248	2.5
173.09695	4.4
173.13264	22.4
175.11174	10.6
175.14818	16.7
179.08565	5.5
180.09297	4.1
181.10147	12.5
182.10857	7.4
183.11700	20.1
184.12285	3.4
185.13295	13.1
187.11188	7.0
187.14803	8.0
187.49565	2.1
192.09415	2.7
193.10207	6.8
194.10876	4.8
195.11703	8.1
196.12473	4.5
197.13182	16.5
199.14888	6.4
201.16396	6.8
206.10861	5.8
207.11714	6.8
208.12543	2.8
209.13318	16.7
210.13690	3.1
211.11249	2.1
211.14818	8.9
213.16438	5.3
217.15852	2.6
221.13152	7.1
223.14795	9.1
225.16318	4.5
233.13310	4.0
235.14938	5.5
237.16354	3.6
239.14290	3.4
241.19600	2.6
249.16379	3.0
251.18053	4.0
253.15863	4.4
253.19444	2.6
265.19547	4.5
266.20261	2.8
283.20609	3.3
308.78256	2.4
375.26941	5.1
393.27737	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	393.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
55.01863	4.3
55.05513	100.0
57.03441	25.4
60.36559	2.5
61.02920	8.8
67.05505	3.8
69.03429	29.1
69.08556	2.3
70.06590	11.6
70.51418	6.6
70.51762	2.6
71.01358	2.7
71.04998	16.3
72.08157	5.2
73.02920	54.6
78.05347	2.5
79.05475	3.8
81.03418	3.9
81.07058	5.7
83.08622	69.1
85.02905	25.5
86.09705	4.5
87.04471	4.1
87.19846	2.4
97.02894	55.5
99.04407	2.9
101.09682	2.5
115.03943	29.7
125.02328	6.0
127.03934	4.8
131.00087	3.4
133.04977	34.8
160.67610	2.5
179.05516	5.7
290.44009	2.4
309.18069	4.8
393.11093	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	393.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05027	1.2
70.06576	1.3
70.44842	1.7
72.08125	0.4
87.85528	0.5
91.05505	0.7
98.20828	0.6
107.04938	1.5
108.05335	0.5
120.08109	0.8
124.03934	1.5
124.05025	0.6
125.04310	0.7
130.05003	0.7
149.04552	1.5
151.03905	0.5
172.06027	1.6
189.06490	0.9
201.06462	2.3
201.17783	0.5
202.07239	1.9
203.07996	1.7
204.08867	6.0
214.07286	0.6
215.08012	2.1
216.08812	100.0
217.09483	2.9
218.10408	5.1
225.06468	11.7
226.07207	3.7
227.08037	1.0
228.08936	0.9
229.09549	1.5
230.10410	10.0
240.08807	58.6
241.09393	2.5
242.10396	0.5
246.09892	7.3
255.09700	0.6
258.09918	3.0
268.08249	5.7
269.08530	1.3
270.09677	0.5
272.11517	3.7
283.09348	1.5
300.10931	56.5
301.11044	1.4
311.08771	1.0
315.11957	1.0
333.13065	3.6
343.11453	2.1
360.72690	0.6
361.12595	5.8
375.14133	4.8
393.15161	23.3
394.15585	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	393.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
57.03424	11.8
57.15899	3.0
61.02930	5.2
61.83494	3.0
67.05499	14.1
69.03422	23.9
69.55713	18.7
69.56123	7.1
70.06578	5.4
71.01363	4.1
71.04984	6.8
73.02909	3.7
81.03417	7.0
85.02904	12.4
85.06520	3.9
86.09698	6.6
87.00810	6.8
97.02895	4.3
99.04472	5.8
105.01856	9.4
109.10158	11.8
113.42333	3.0
126.01888	3.5
127.03917	8.3
127.11163	5.6
146.06137	3.6
161.07126	3.9
169.55260	3.2
188.08173	25.3
204.08771	4.5
214.06087	4.8
216.08871	39.7
220.58783	3.5
225.06549	3.7
230.10234	5.0
232.07176	12.8
240.08786	21.8
259.08279	67.2
300.10855	20.9
306.23416	4.0
393.14163	100.0
394.14075	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	393.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03405	2.1
54.83785	2.2
56.96569	27.1
57.03412	2.7
69.03416	7.2
70.04467	11.6
70.06571	2.8
84.96006	6.3
85.02895	6.2
97.02915	7.6
98.97583	34.7
101.00905	13.9
106.90060	3.1
107.04992	2.5
109.02906	3.5
110.07092	2.9
110.97572	5.9
112.99157	3.5
113.00880	5.6
115.02412	4.1
116.98629	22.7
119.01921	41.7
124.99126	2.7
127.03934	3.6
128.98608	10.2
131.01904	25.0
131.05556	6.9
133.03499	8.1
134.99678	8.5
136.06183	3.2
137.02962	3.6
143.00194	5.8
143.01898	58.7
144.02019	4.0
145.01747	4.6
145.03436	11.9
146.99651	6.2
147.01433	3.9
149.06610	11.2
155.01900	24.6
157.03470	5.8
158.99710	8.7
159.05042	5.4
160.02991	2.8
161.01231	6.6
161.02960	90.3
162.03032	3.3
162.99097	3.3
163.02840	3.3
165.00819	2.7
167.05630	2.6
171.03378	2.7
171.05054	3.7
172.95198	2.9
173.01526	4.7
173.02963	31.2
173.06607	32.5
174.99139	7.7
175.02914	2.9
175.04527	3.9
177.00717	9.2
177.06062	3.2
184.04628	3.7
185.03113	3.8
185.06610	35.2
187.04648	3.7
187.08156	5.3
189.00684	3.6
189.04344	4.8
191.07632	8.6
192.98688	2.6
193.00119	12.7
201.00768	3.5
201.06160	2.4
203.04066	10.2
203.07616	21.1
203.99677	2.3
205.00208	4.8
213.04370	4.4
215.07693	12.3
219.01830	10.1
221.05093	29.1
223.01234	3.9
227.07657	5.7
231.05229	4.0
233.08664	5.7
237.02788	21.0
248.99323	2.9
257.08813	3.5
274.97549	4.2
275.09793	39.1
293.10837	100.0
305.01764	3.7
309.08533	5.6
330.08521	3.5
333.01428	2.8
348.09772	2.8
351.06137	3.4
375.11426	12.9
393.12497	82.6
394.12918	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	391.336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97824	1.8
53.03943	2.1
53.10078	1.8
55.05503	9.0
56.42161	1.9
57.07069	7.3
61.45066	1.7
65.60378	2.1
67.05510	13.3
69.07069	11.9
69.25883	6.4
69.26307	13.9
71.08643	3.3
75.09602	1.9
79.05499	7.0
81.07063	31.2
83.08624	6.7
83.18043	1.8
86.09692	9.5
91.05498	9.2
93.07067	16.7
95.04979	3.0
95.08612	43.7
97.10185	4.3
98.20773	4.0
105.07058	19.8
107.08593	21.0
109.10159	16.1
117.07044	1.9
119.08593	25.2
121.10146	19.5
123.11686	9.7
129.07019	2.5
131.08562	10.7
133.10155	17.8
135.11714	8.2
137.13251	9.7
137.74390	2.4
142.07845	4.2
143.08580	7.2
145.10112	15.0
147.11705	10.9
149.02390	19.7
149.13306	8.3
155.08568	3.7
157.10139	14.1
159.11717	13.0
161.13264	13.0
163.14841	6.3
166.09351	2.2
168.09319	2.3
169.10135	7.7
171.11707	10.2
173.13251	7.8
175.14861	14.7
177.16344	2.3
181.10106	2.3
182.10985	2.0
183.11757	8.3
184.12555	2.8
185.13286	10.3
187.14877	11.9
189.16406	11.8
195.11778	4.3
197.13295	7.7
199.14795	7.5
201.16432	9.9
201.62471	1.9
209.13261	2.4
211.14728	10.7
213.16342	11.3
215.18031	4.6
217.19533	2.6
223.14777	3.3
225.16437	5.4
227.18030	5.4
229.19525	4.2
237.16472	4.4
239.17970	9.1
241.19487	12.0
243.20946	2.0
253.19537	19.9
255.21155	8.7
261.19281	2.0
267.21219	10.6
269.22632	10.0
295.24258	6.9
307.24585	5.6
321.25885	4.1
335.27414	2.9
348.28180	5.4
349.28839	2.0
391.33621	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	392.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26065	3.6
69.35742	36.4
79.27642	4.4
84.04530	5.2
86.09700	9.4
87.51264	4.0
98.21439	8.8
117.03703	4.5
124.00387	3.2
149.02373	26.4
150.02675	7.9
155.19423	3.9
157.64729	3.5
184.07553	3.7
217.83401	3.4
220.90863	4.1
226.04283	3.6
236.85741	4.3
237.21703	3.7
245.09383	4.6
266.36111	4.6
343.75897	3.9
351.89484	4.8
392.07730	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	391.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.05508	8.2
57.07064	2.1
57.51715	1.1
62.87749	1.1
67.05501	15.2
69.03432	2.3
69.07073	10.0
71.04958	1.3
71.08630	2.9
71.58813	1.5
72.64816	1.1
75.12971	1.1
76.91273	1.2
79.05492	10.8
81.07057	23.5
83.04915	1.1
83.08614	4.6
83.55047	1.2
91.05488	14.5
93.07043	20.7
95.04967	2.7
95.08604	39.8
97.06531	3.7
97.10138	1.5
99.08064	1.7
103.02911	1.3
103.05481	1.1
105.07030	30.8
107.08595	34.6
109.06484	2.9
109.10155	21.7
111.08062	3.5
115.37695	1.1
117.07009	6.8
119.08581	93.4
120.08936	1.7
121.06516	6.8
121.10152	19.8
123.08074	2.9
123.11730	6.0
128.06268	2.6
129.07010	3.4
130.07750	1.9
131.08577	26.4
133.06511	5.8
133.10121	29.0
135.08057	12.5
135.11688	11.3
137.09613	2.5
137.13246	1.8
141.06993	1.5
142.07803	4.1
143.08575	10.6
144.09303	1.9
145.06465	1.8
145.10121	34.0
146.07256	1.4
147.08032	14.0
147.11691	11.4
149.02341	11.5
149.09604	3.8
149.13260	7.6
151.11172	1.6
155.08546	3.2
156.09329	4.9
157.10115	11.6
158.10905	1.8
159.08073	7.2
159.11682	22.4
161.09624	19.9
161.12151	1.1
161.13249	8.9
163.14839	4.3
167.08549	1.5
169.10103	6.2
170.10870	2.4
171.08057	1.9
171.11688	9.9
172.08881	1.4
172.12448	2.0
173.09615	5.1
173.13254	24.4
174.10359	1.5
175.11191	8.2
175.14825	15.2
177.16423	1.7
181.10080	2.1
182.10954	1.6
183.11699	6.8
185.09702	3.7
185.13287	8.7
186.10368	2.2
187.11191	5.1
187.14825	18.9
189.12785	4.6
189.16386	5.6
195.11665	2.5
197.09570	2.2
197.13248	6.7
199.11176	8.4
199.14780	8.1
201.12801	10.0
201.14731	2.1
201.16414	19.0
203.14323	60.7
203.18004	3.7
204.14702	1.8
205.15770	1.4
209.13242	4.3
211.11346	1.5
211.14822	4.0
213.12758	3.0
213.16379	4.8
215.14355	7.8
215.17935	1.7
217.15883	14.7
221.13266	2.2
223.11049	1.3
223.14905	2.8
225.12755	2.9
225.16391	2.9
227.14290	4.1
227.17957	2.4
229.15858	5.5
237.16321	2.3
239.14285	2.4
239.17938	3.0
241.15898	2.9
243.17517	1.9
249.16322	1.7
251.17914	2.5
253.15982	1.6
253.19479	3.7
255.17363	3.7
261.16446	1.5
263.18011	2.0
267.17661	2.1
267.20999	2.2
269.19006	4.9
273.21164	1.4
279.17441	1.8
281.18921	2.9
283.20612	2.8
285.22153	2.2
293.22684	2.5
295.20651	1.9
297.21887	2.1
303.21060	2.0
311.23758	2.3
317.22687	1.7
321.22116	6.0
323.23685	1.9
335.23737	1.4
363.30505	1.6
373.28833	9.9
391.29929	100.0
392.30313	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.05510	16.6
57.07080	11.9
60.52905	3.7
65.03942	7.2
67.05509	26.9
69.07073	12.7
71.00283	7.6
75.16312	3.5
79.05502	26.3
81.07067	46.6
83.04984	6.8
83.08611	7.8
85.06551	4.3
91.05491	37.6
93.07053	35.7
95.04973	39.6
95.08625	28.1
97.06529	6.1
103.05476	7.2
105.07044	70.0
107.08608	29.4
109.06548	9.6
109.10172	15.2
115.05492	8.1
117.07037	17.1
119.08589	63.6
119.09372	6.9
121.06528	9.0
121.10149	34.7
123.08090	11.0
128.06247	10.9
129.07030	15.2
130.07784	6.3
131.08571	26.2
133.10089	23.2
135.08044	5.3
135.11726	6.7
141.07028	8.6
142.07793	14.0
143.08578	40.4
143.28996	4.5
144.09352	7.7
145.06480	4.5
145.10147	50.6
146.10527	4.1
147.08142	6.4
147.11714	12.1
149.02367	54.1
149.09583	5.4
149.13242	7.6
153.07033	6.1
155.08548	19.3
156.09370	15.1
157.10129	41.0
158.10910	8.0
159.08090	6.7
159.11710	26.5
161.09621	7.8
161.13275	5.1
163.11258	4.7
165.07079	7.4
166.07715	3.9
167.08601	10.6
169.10130	31.7
170.10930	7.9
171.11729	22.9
173.09627	6.3
173.13263	12.6
175.02818	3.9
175.11250	5.5
179.08607	14.2
180.09476	5.6
181.10130	20.4
182.10989	6.6
183.11732	21.9
185.13235	10.9
187.11266	8.4
187.14792	11.0
193.10194	19.3
194.10953	11.3
195.11723	18.8
196.12509	6.3
197.13277	11.6
199.11212	6.2
199.14838	11.0
201.12703	5.1
201.16255	4.6
206.10947	7.2
207.11690	15.0
208.12483	6.4
209.13309	21.1
211.11221	4.9
211.14879	11.1
213.16457	9.7
217.10338	3.9
219.11752	11.1
220.12636	4.1
221.13341	18.3
223.14920	12.4
225.16431	6.5
227.14340	5.2
230.10956	4.1
230.28789	3.8
231.11716	6.4
232.12418	8.9
233.13287	9.0
235.14885	7.7
237.16391	5.8
239.17957	5.1
245.13248	7.5
246.14169	5.6
247.14790	6.0
249.16504	7.8
251.17888	8.0
253.19623	4.3
259.14749	4.9
261.16299	5.1
263.17984	7.0
265.19608	6.1
272.15814	3.5
273.16492	8.6
274.16992	3.8
275.18063	4.3
282.19727	11.5
291.17465	4.8
297.18628	6.0
307.20779	4.3
373.25098	20.9
391.26266	100.0
391.33618	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	391.2328
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
54.78855	5.2
55.05508	12.9
67.05515	13.8
67.97210	5.3
68.61476	5.6
69.03422	7.0
69.07074	8.5
69.44920	42.4
79.05489	8.6
81.07056	23.6
85.02912	8.3
85.06529	16.5
91.05505	13.0
92.25214	6.0
93.07060	28.0
95.08618	46.5
99.08109	10.0
105.07024	23.5
107.08604	54.5
109.10171	22.4
110.09693	7.1
119.08562	38.0
120.08136	11.0
121.10132	22.8
125.09636	18.1
130.06416	6.9
133.10127	24.7
135.11710	28.5
137.09651	12.8
138.09146	19.8
147.11717	8.1
149.02345	17.5
155.10664	100.0
163.14842	44.7
175.14836	27.9
181.15921	8.2
193.15869	48.4
199.16917	18.2
211.16991	49.0
229.18019	58.8
292.09854	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	391.2327
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
51.29839	6.0
53.17896	5.2
53.86029	5.4
55.05518	16.3
65.03954	7.4
67.05495	16.3
69.03434	13.1
69.07087	7.4
71.04463	7.0
71.04762	9.2
81.03419	9.8
81.07064	36.5
83.05024	9.3
83.08650	7.6
85.02893	11.8
85.06544	21.6
86.09693	14.8
91.05503	46.1
92.05819	12.0
93.07050	29.2
95.04968	11.6
95.08617	53.2
97.02925	10.1
97.06528	7.2
99.04477	7.5
105.07055	26.7
107.04994	7.4
107.08598	55.3
109.10153	19.3
119.08605	44.8
121.10127	21.5
124.03948	11.6
125.09650	11.7
127.03961	9.7
130.06544	14.0
133.10118	36.6
135.11699	34.3
135.53069	6.2
137.09657	16.4
147.11707	10.3
149.02335	61.0
155.10693	100.0
157.07651	10.7
163.14803	43.0
175.14853	43.9
189.56975	6.1
193.15877	53.4
199.16920	15.7
211.16925	60.9
229.17953	69.7
241.09732	9.5
243.12477	7.0
257.09088	7.6
283.08566	8.5
299.10358	8.6
311.07886	6.6
317.11417	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	391.2326
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
52.37148	9.2
55.05513	19.2
57.07079	16.3
67.05498	15.6
69.03424	21.2
70.06583	25.1
70.42516	9.2
71.04998	15.9
71.05338	18.5
79.05470	19.5
81.03410	18.0
81.07048	34.6
83.04986	14.3
84.08133	11.8
85.02884	25.6
85.06573	13.2
86.09693	15.0
91.05473	34.5
93.07027	26.9
95.04959	17.1
95.08598	37.3
97.02900	17.8
99.04484	10.8
99.08063	25.9
105.07026	38.8
107.08601	59.2
108.65614	9.1
109.10136	14.4
111.08074	11.8
119.08572	39.7
120.08087	9.3
121.10152	31.8
123.08087	9.4
123.11681	16.4
125.09611	33.1
130.06480	21.0
133.10118	33.2
135.11662	29.9
137.06004	34.6
139.07544	9.6
149.02361	100.0
155.10588	12.1
157.07655	19.3
163.14845	64.0
173.75604	8.3
175.14806	44.5
179.10562	10.0
181.15828	15.9
187.32788	9.0
193.15918	23.3
201.55151	8.8
211.16931	59.0
229.17949	34.8
365.81812	8.4
373.18744	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	391.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28426	1.1
51.44066	1.2
53.03944	2.9
54.12556	1.1
55.01626	1.5
55.01878	24.8
55.05515	12.9
57.03433	3.1
59.04977	1.2
59.12098	1.2
65.03925	1.3
67.05509	17.0
67.72153	1.1
68.08047	1.2
69.03429	6.1
69.07072	4.1
69.26625	1.2
70.06594	2.8
71.05000	15.2
71.21792	1.9
73.02911	3.4
77.50296	1.5
79.05495	7.7
79.42411	1.2
81.03419	4.8
81.07074	6.5
82.40077	1.4
83.04990	17.3
83.08634	2.9
84.04512	1.2
84.08128	1.1
84.68751	1.1
85.02918	11.6
87.00832	5.2
94.06544	1.3
95.08585	2.0
96.91561	1.2
97.02894	4.2
97.10194	9.6
99.04453	1.8
99.08051	1.3
105.01860	2.6
107.04973	2.8
107.08595	7.8
108.05331	1.4
109.02874	4.5
109.10165	18.8
115.03902	1.4
124.07606	3.2
125.09643	100.0
126.09940	1.7
127.03905	7.4
127.11197	12.0
128.55559	1.3
130.06516	1.3
136.07578	1.5
137.02368	1.8
143.10712	1.9
145.05000	1.9
145.12263	2.8
149.02348	10.7
159.02922	1.6
167.03354	2.0
179.03438	1.5
187.44376	1.3
229.01552	1.3
272.30313	1.2
391.15787	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	391.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
55.01878	32.1
55.05516	23.2
57.03424	11.2
61.02917	4.9
66.36436	3.1
67.05512	21.9
69.03427	24.5
69.07050	5.1
69.98986	14.1
70.06585	4.7
71.04986	25.3
73.02923	24.4
79.05489	8.8
79.07165	3.3
81.03429	25.3
81.07060	10.1
81.54394	2.9
83.04975	14.2
83.08615	10.5
85.02910	54.8
85.06531	9.0
87.00829	20.6
93.07051	5.7
95.04955	8.0
97.02891	24.7
97.06525	4.6
97.10162	9.5
98.21404	4.4
99.04454	12.2
105.01849	10.4
105.07042	10.6
106.07370	4.6
107.04942	6.0
107.08592	11.6
109.02898	24.9
109.10150	28.1
110.96913	3.3
113.81824	3.7
117.01849	4.8
119.08583	4.6
121.06487	3.5
121.10161	4.5
125.05991	15.5
125.09644	100.0
127.03922	31.3
127.11198	31.6
129.01871	5.2
131.08553	4.3
133.06496	5.0
134.06877	3.7
143.10643	16.1
145.04988	13.3
149.02344	6.7
149.09651	19.1
159.02853	10.6
161.05971	13.5
162.06339	13.0
163.81158	3.4
167.10678	28.1
172.10374	3.3
194.08957	8.4
209.11719	6.0
227.12582	4.9
231.04997	4.2
233.11714	6.7
360.88022	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	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.3
55.05495	6.3
57.03442	5.3
66.39954	3.5
67.05486	9.0
69.03425	9.0
69.43639	21.5
69.44044	7.0
70.06590	8.6
73.02924	4.1
79.05493	9.8
81.03413	7.6
82.68215	3.7
84.04465	4.0
85.02904	27.2
86.09706	7.5
87.00845	3.6
89.66337	3.6
91.05449	5.6
94.06572	4.5
97.02907	10.2
97.10183	5.0
98.20786	7.2
103.05461	6.3
105.07041	46.4
107.04969	9.3
107.08629	5.8
109.02891	6.8
109.06479	4.4
109.10159	6.5
115.05463	12.0
118.04215	4.3
119.04944	6.8
124.07567	4.5
125.05930	4.3
125.09640	15.8
127.03928	10.0
127.11184	6.9
128.07111	3.8
133.06508	49.6
143.06010	3.8
145.04884	3.9
147.04408	4.9
151.07471	5.0
154.96210	3.6
161.05991	100.0
161.35643	3.8
167.06998	4.5
167.10721	5.2
168.07936	4.4
191.11803	4.9
193.08638	61.4
196.07393	4.3
211.09692	13.2
261.08060	3.5
298.25473	3.8
390.17953	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	391.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
67.05509	1.9
68.99838	1.3
69.49644	5.9
69.50062	2.7
70.06597	1.6
79.05521	1.4
81.07047	1.4
85.02895	1.4
91.05486	2.8
94.06546	1.9
97.02873	2.4
108.08152	1.1
110.68987	1.3
114.92641	1.2
120.04504	1.6
120.08131	2.4
121.02858	2.8
124.07584	1.4
130.06561	2.3
137.06052	1.3
138.05463	2.0
138.09155	3.3
146.06044	3.2
148.07596	3.8
149.02309	5.7
150.05449	1.2
166.05034	5.7
166.08684	9.9
168.06561	2.2
189.10347	1.9
197.07138	1.6
197.10762	3.1
198.07860	1.3
199.08707	5.0
201.10268	1.4
202.08612	1.7
210.07721	1.5
211.08696	16.5
211.12299	3.3
212.09435	7.5
213.10300	6.8
221.10770	1.9
222.09259	2.7
224.09341	3.1
225.06726	10.8
225.10211	35.7
226.11003	2.7
227.08110	2.0
227.11818	2.6
229.09714	3.8
239.08174	4.4
239.11813	21.9
240.08960	1.6
241.09781	6.5
241.13377	1.7
243.07718	5.9
245.12871	18.8
246.13054	1.2
249.10297	1.7
252.09013	5.0
253.09734	18.1
254.10477	4.3
255.11337	4.2
257.10547	2.0
257.12799	6.9
259.10757	1.2
267.11337	29.2
268.11935	3.5
268.59531	1.2
269.12811	2.5
273.12262	1.9
280.08398	1.8
281.09311	1.3
283.10886	4.4
285.12366	14.2
295.10831	20.9
297.12360	2.4
301.11758	5.3
313.11859	100.0
314.12186	3.5
315.13373	1.4
323.10385	2.3
331.12946	19.9
341.11340	15.9
342.11771	1.7
345.14294	1.3
359.12390	60.6
360.12650	2.5
373.13986	55.8
374.14276	1.9
377.52249	1.3
391.15140	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	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.8
64.92270	2.5
66.67719	2.6
67.05489	3.0
69.03407	4.8
69.64250	20.0
70.06580	3.5
76.47979	3.1
79.05487	6.7
81.03402	5.2
85.02899	18.2
91.05484	8.0
97.02908	4.5
98.21483	4.4
103.05485	5.2
105.07047	41.3
107.04932	3.4
109.02895	2.9
109.10191	2.9
115.05446	8.3
118.04169	4.2
119.04909	5.2
125.09630	10.4
127.03899	7.7
133.06497	42.6
135.68202	3.5
149.05995	3.7
161.06003	100.0
167.06961	3.1
168.07774	3.5
193.08626	55.2
196.07231	3.4
196.72560	2.8
201.89439	2.7
211.09639	11.7
248.35464	3.4
259.51154	2.7
260.60123	2.7
391.52551	3.1
397.41833	3.0
397.49887	2.8
408.95770	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	390.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28579	1.2
53.03942	3.2
56.10915	1.4
57.03439	2.0
69.03436	13.0
71.04963	1.3
71.96380	1.2
72.08163	1.8
78.02724	1.3
78.03460	11.3
80.05016	3.6
81.03430	18.0
85.02895	12.2
86.09699	2.6
96.04487	5.5
97.02933	6.7
99.04443	2.8
106.02927	60.9
107.04978	3.5
109.02882	12.1
124.03965	100.0
124.07665	1.6
125.04358	1.6
127.03896	7.5
137.81941	1.3
163.04010	1.4
192.06445	1.2
232.06038	4.8
250.07124	24.1
259.23108	1.2
268.08191	56.2
268.11115	2.7
390.13693	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	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78119	1.7
55.01881	4.2
57.03423	2.0
58.71820	1.7
65.03943	1.8
67.05477	2.1
68.98666	1.8
69.03431	6.3
69.07057	2.2
70.03331	7.1
70.03739	3.6
70.06578	3.8
71.04991	1.8
79.05494	4.1
81.03423	3.3
81.07050	3.1
82.07359	1.8
83.04993	3.4
84.08178	2.5
85.02917	7.5
85.61658	1.7
86.09713	2.0
88.03974	2.1
91.05491	26.2
93.07059	2.9
95.01321	2.3
95.04970	3.5
95.08598	3.2
97.02931	3.0
98.06880	1.6
105.03398	100.0
105.06994	1.7
106.02953	2.3
106.03715	2.2
107.04966	2.0
107.08617	6.2
108.08920	2.0
109.02869	1.8
109.10144	2.8
111.08090	1.9
119.08593	2.5
122.10522	2.7
123.04453	5.9
123.08098	2.2
124.03968	6.1
125.09667	12.6
126.01073	2.8
126.09974	5.1
127.03992	2.3
131.08557	2.6
135.11676	1.7
137.09654	2.1
141.01849	4.3
149.09630	13.4
150.09953	14.3
151.07614	4.5
151.11133	2.8
152.11548	1.9
153.09102	4.0
154.09431	3.2
163.03952	3.1
167.07068	2.0
177.09189	3.0
179.07047	26.1
181.04971	2.9
182.05402	1.8
191.14320	2.7
192.14670	4.1
197.08124	23.7
209.15359	10.8
210.15732	20.0
218.54359	1.7
219.31125	1.6
223.09506	3.0
228.16692	1.8
250.07288	1.7
268.08185	3.8
294.89417	1.9
299.10361	2.3
337.09094	2.1
369.28665	1.7
390.16016	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	389.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.4
55.05733	0.8
57.07065	1.5
61.30070	0.5
67.05503	7.6
67.64823	0.6
69.07066	6.6
79.05494	3.6
81.07066	9.8
83.08631	2.9
85.21699	0.5
91.05470	3.8
93.07045	7.3
95.08611	17.4
97.10155	1.3
105.07039	8.5
107.08599	10.8
109.10159	8.2
117.07023	1.9
119.08583	15.2
121.10142	8.7
122.99490	0.6
123.11716	4.4
128.06216	1.0
129.06958	2.5
131.08574	7.7
133.10143	8.8
135.11688	4.6
137.13232	1.5
141.07016	1.1
142.07770	0.8
143.08557	6.1
144.09337	1.0
145.10126	16.3
146.10570	0.6
147.11707	5.1
149.13274	3.9
154.07767	0.7
155.08527	2.4
156.09366	1.7
157.10144	8.7
158.10901	1.6
159.11700	9.5
161.13266	5.6
163.14856	2.6
165.07033	1.1
167.08597	1.6
168.09390	1.1
169.10156	6.0
170.10942	1.9
171.11696	6.2
173.13284	7.9
175.14838	3.9
177.16403	2.3
179.08591	1.0
179.96996	0.6
180.09346	1.2
181.10118	3.5
182.10930	0.9
183.11688	7.5
185.13280	6.2
187.14836	14.4
189.16399	4.3
191.18005	0.6
193.10103	2.0
194.10954	1.5
195.11656	5.5
196.12418	1.0
197.13272	5.7
198.13889	0.5
199.14845	6.0
201.16411	6.9
203.18004	1.5
207.11751	3.2
207.76929	0.6
208.12495	1.4
209.13287	8.1
210.14011	1.1
211.14787	6.5
213.16388	4.8
215.16138	0.6
215.17998	3.3
217.19566	0.7
219.11528	0.7
221.13274	3.1
222.14114	1.0
223.14867	5.0
224.15559	0.8
225.16400	6.1
227.17949	2.7
229.19609	0.7
233.13182	0.7
235.14874	3.4
236.15625	0.8
237.16388	7.3
239.17984	4.2
241.19539	2.0
247.14870	0.9
249.16362	2.6
250.17128	1.1
251.17950	5.9
252.18642	0.6
253.19516	3.5
255.21205	0.9
256.26300	0.6
261.16324	1.0
263.17975	2.8
264.18631	1.4
265.19495	5.0
267.21143	4.0
275.17810	1.1
277.19479	3.7
278.19943	0.6
279.21121	3.4
281.22702	1.6
291.21042	2.7
292.21872	0.5
293.22577	4.3
294.23450	1.2
295.24286	0.8
303.21066	0.7
305.22620	3.2
307.24185	1.4
317.22833	1.0
319.24216	5.2
331.24182	1.6
333.25766	4.9
346.26566	1.3
347.27368	1.3
359.27261	0.6
361.28735	0.6
374.29810	0.7
389.32047	100.0
390.32254	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	389.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	11.1
55.05521	11.4
58.03900	10.4
67.05485	14.5
69.03436	26.6
69.07059	16.3
69.61776	10.8
69.69117	59.7
70.06612	11.1
79.05488	23.3
81.03436	24.3
81.07050	24.2
82.01572	11.7
83.04989	16.1
85.02916	33.9
86.09711	45.9
91.05483	88.5
93.03405	11.4
93.07063	39.6
95.04969	10.5
95.08600	24.6
97.02885	43.7
97.06551	17.6
99.08137	15.3
105.07037	23.2
107.04972	39.3
107.08598	44.4
109.06499	21.7
109.10150	12.8
111.04477	13.9
117.07049	13.3
121.06510	35.1
121.10144	46.2
123.08073	19.7
125.09646	14.4
127.03959	63.2
131.08594	14.9
133.10155	24.7
135.07999	15.5
137.05984	26.4
149.06001	31.3
149.09656	36.7
149.13257	14.0
151.11211	25.1
163.03888	25.6
163.14784	23.7
167.07053	11.6
173.13284	18.2
177.05508	23.9
191.14337	49.6
209.08084	21.6
209.15334	84.6
227.16299	15.4
230.27513	11.0
237.10216	18.6
265.09723	46.2
267.11075	20.3
293.09146	66.4
295.10892	21.1
321.08780	24.8
339.09769	64.6
357.10867	14.6
371.12283	24.4
389.13342	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	389.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05519	8.5
57.07077	1.8
57.90142	1.0
65.86749	0.8
67.05508	7.4
69.07074	10.0
71.58521	1.2
72.68322	1.0
79.05489	5.2
81.07062	15.7
83.08619	4.1
88.03969	2.2
91.05470	9.7
93.07047	14.7
95.08614	23.5
95.24677	1.0
96.12404	1.3
97.10215	1.5
105.07034	19.8
107.08607	20.8
109.10160	16.5
110.93903	0.9
111.11765	1.4
115.05466	1.9
117.06994	5.1
119.08591	66.0
121.10146	17.2
123.11719	9.4
128.06242	2.2
129.06969	2.7
130.07814	2.2
131.08563	19.0
133.10136	31.0
135.11713	10.7
137.13295	2.2
141.07089	1.6
142.07768	3.6
143.08560	19.6
144.09346	4.5
145.10130	70.9
146.10512	1.5
147.11681	14.3
149.13260	8.6
152.71443	1.1
155.08554	3.2
156.09352	4.3
157.10147	17.1
158.10934	7.8
159.11703	36.3
161.13284	8.5
163.14844	9.4
165.07120	1.0
167.08562	1.6
168.09262	1.6
169.10159	8.8
170.10930	3.5
171.11693	17.8
172.12506	2.8
173.11752	1.4
173.13271	27.9
174.13852	1.2
175.14854	7.7
177.16377	6.9
181.10123	4.4
182.10886	1.9
183.11703	14.1
184.12479	2.0
185.13286	13.2
187.14835	100.0
188.15149	1.8
189.16389	19.0
191.17938	2.5
193.10155	1.9
194.11084	1.2
195.11646	6.0
196.12527	2.0
197.13223	5.8
199.14830	14.4
201.16396	24.6
203.17990	8.3
207.11789	1.9
208.12419	1.5
209.13261	6.6
211.14799	6.5
213.16396	18.8
215.17921	7.2
217.19589	3.7
221.13249	3.5
223.14893	8.0
225.16388	6.4
227.17957	9.7
229.19649	1.3
234.13908	1.7
235.14888	4.4
237.16367	7.0
239.17932	5.7
241.19499	3.4
249.16318	3.9
251.17944	5.4
253.19412	5.1
255.20966	1.0
263.17923	4.8
265.19547	5.2
267.21100	3.2
275.17981	1.1
277.19583	4.5
279.21106	4.0
280.39029	1.1
281.22833	1.6
289.19766	1.3
291.21179	1.9
293.22647	3.7
302.30634	1.6
305.22668	4.4
307.24213	1.2
319.24161	8.5
320.24881	1.1
333.25772	3.1
346.82776	1.2
347.27493	3.0
389.32053	98.7
390.32123	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	389.1807
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01871	10.4
63.29428	6.4
67.05496	20.1
70.06586	25.9
71.03705	12.7
71.04986	13.3
77.21291	6.1
79.05489	24.1
81.03418	8.8
81.07015	7.2
85.02888	15.5
85.06551	100.0
86.09705	25.1
89.06033	34.7
90.06336	6.9
91.05502	20.8
93.07057	20.4
95.04955	9.2
103.05482	19.5
105.07033	24.0
107.04951	68.2
107.08580	29.4
109.06544	16.8
111.04433	19.7
119.08569	20.1
121.06528	14.4
121.10185	15.6
123.04439	5.7
125.06026	11.8
131.04955	43.6
131.08580	58.1
133.08598	10.2
133.10139	9.4
134.08968	9.6
137.05916	6.3
137.09657	8.9
143.08611	7.8
145.10170	16.7
149.05960	8.0
149.09628	48.6
162.95918	7.3
163.07582	21.2
163.11209	20.9
165.09152	6.2
167.07085	10.9
167.10715	33.1
173.09651	9.1
173.12874	8.9
178.11566	6.9
180.02203	7.1
181.16034	6.0
189.12305	7.0
191.10690	56.9
209.11700	73.6
227.12802	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01865	1.8
57.03429	7.0
61.02931	2.5
69.03431	43.3
69.54980	11.4
71.05003	8.3
71.84247	1.5
81.03417	30.8
83.01329	2.9
84.08146	2.0
85.02911	50.9
86.49876	1.5
87.00360	2.5
87.00834	26.7
87.04459	5.3
91.05509	3.2
91.54052	1.7
97.02896	79.5
99.04459	25.1
101.02361	2.3
105.01868	21.4
105.07038	9.2
109.02870	10.1
115.03917	2.8
117.07007	3.3
122.87273	1.7
127.03926	100.0
128.04311	2.2
131.08566	1.8
137.05957	8.0
138.06311	3.0
139.39392	1.6
145.04967	63.2
164.15558	1.5
167.07068	2.7
173.11024	1.5
184.51537	1.4
204.14610	1.5
213.04091	2.3
231.02695	2.6
231.05005	51.3
249.06108	21.0
293.09186	2.9
339.09830	3.8
388.14691	4.0
389.13409	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	389.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.0
55.05511	2.3
67.05500	2.6
69.03439	8.5
69.07076	1.6
69.47307	7.6
69.47702	2.0
70.06583	1.2
71.04984	1.4
79.05486	3.7
81.03402	3.3
81.07060	3.1
83.04993	1.2
83.08609	1.5
84.08151	1.6
85.02895	2.5
87.36696	1.1
91.05504	2.3
93.07063	2.9
95.04971	2.7
95.08597	4.9
97.02899	2.2
97.06540	1.3
103.05460	3.2
105.07011	3.8
107.04941	8.0
107.08579	3.4
108.08075	1.7
109.06531	1.5
109.10159	2.6
110.05993	1.2
110.08346	1.1
113.01350	1.1
117.07001	1.5
119.04901	1.8
119.08618	5.5
121.02890	5.3
121.10173	5.7
121.64680	1.0
122.06062	1.9
123.04523	1.3
123.11729	2.8
129.06998	1.7
131.04939	6.5
131.08536	1.7
133.10133	4.4
135.07999	1.8
137.05959	2.8
142.07794	1.8
143.08565	2.3
145.06485	1.6
145.10114	3.9
146.06009	1.8
147.04422	1.3
147.11678	3.6
155.08611	1.1
157.10112	4.0
159.11681	3.3
161.09586	1.1
167.07170	2.3
169.06465	1.2
169.10168	3.0
170.08411	1.8
171.11681	2.4
173.13237	4.6
175.14795	4.9
181.04945	1.6
182.09666	1.4
183.11636	1.9
184.09908	1.4
185.07097	2.4
185.10788	3.3
185.13161	1.6
187.11172	1.2
187.14873	1.7
189.16345	1.8
195.09204	2.1
198.07834	3.3
199.08687	16.7
199.14850	2.9
209.10710	1.8
209.13133	1.5
211.08627	2.7
212.09486	4.4
213.06648	5.8
213.10229	15.6
214.07292	2.1
215.08144	1.9
219.10181	1.4
225.10228	1.5
226.07300	2.2
226.10980	2.4
227.08205	20.3
227.11761	11.2
227.14214	2.6
228.08710	2.3
229.09723	4.4
229.11908	1.2
235.17049	1.2
237.10281	3.3
237.82837	1.4
238.08429	1.3
239.08156	2.0
240.08807	9.1
241.06129	9.8
241.09717	35.9
242.10158	2.2
245.12886	7.7
253.09654	1.6
255.07643	3.4
255.11311	38.2
256.08603	1.3
257.09366	6.2
257.12585	1.1
259.10834	2.2
265.09772	3.0
267.11261	2.8
267.17404	2.9
268.08560	2.1
269.09225	11.0
270.09802	2.1
273.12289	5.0
283.10794	48.3
283.13986	2.3
285.18549	7.0
295.10696	7.4
297.08633	1.7
300.11218	2.2
301.08139	2.2
301.11777	5.5
311.10269	26.2
313.11862	7.8
329.11325	100.0
330.11621	3.5
339.06204	1.7
339.09625	7.3
340.76239	1.1
357.10815	70.7
358.11209	1.9
361.03503	1.1
371.12079	2.1
371.18729	1.6
389.13425	15.2
389.19684	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01871	6.5
57.03440	4.3
61.02935	4.8
68.99793	2.9
69.03436	30.3
70.75031	2.1
70.75372	0.8
71.01348	0.9
71.04999	4.4
73.02918	6.2
81.03424	25.0
85.02910	100.0
87.00295	2.0
87.00835	39.2
87.04505	1.0
91.03941	1.7
97.02899	28.0
98.06033	0.9
99.04460	13.7
101.02390	0.9
105.01877	59.9
105.07037	9.6
108.04484	2.2
109.02886	26.4
117.01855	2.2
126.05550	1.4
127.03925	68.1
129.01842	4.0
137.05998	2.0
145.04970	32.7
147.02919	2.1
159.02896	15.4
159.08063	0.9
177.03934	0.9
189.03949	2.8
206.79846	0.8
213.03957	3.4
213.09088	1.6
224.76273	0.8
224.78506	0.8
231.04999	19.2
248.07718	1.6
249.06105	6.0
388.15298	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	387.2015
Annotation	Macarangioside D
Peak:m/z	Relative Intensity
56.42931	10.7
57.88155	10.8
61.01242	11.5
67.53097	11.0
70.71741	30.8
80.20860	10.6
85.06558	12.8
95.08627	64.6
116.74638	12.1
119.08584	21.0
123.08086	48.7
126.20210	11.1
146.06047	14.5
147.11723	29.3
149.09650	31.7
159.11746	12.6
161.13228	23.9
189.12787	18.0
207.13805	100.0
209.57228	14.5
369.79736	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	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.04817	0.4
53.94660	0.4
55.01871	1.2
57.03419	0.5
60.04507	0.4
69.03426	3.3
69.07072	0.5
69.75842	0.9
69.76255	1.6
70.03738	0.4
71.01358	0.6
71.04990	0.5
73.02924	0.7
76.25945	0.4
79.05498	3.6
81.03421	2.6
85.02908	9.0
87.00837	4.1
91.05449	0.6
95.04958	0.7
97.02905	2.8
98.20725	0.5
99.04459	1.0
103.03989	0.7
103.05452	1.8
105.01874	4.5
105.07036	100.0
106.07356	2.0
108.04467	1.3
109.02881	3.5
110.60849	0.4
115.05493	0.4
117.01878	0.4
119.08601	2.8
124.10088	0.4
125.02367	0.4
127.03922	6.1
129.01854	0.8
131.08583	0.7
137.05989	4.2
138.06293	3.3
143.03413	1.1
143.08578	1.6
145.04967	2.9
147.02899	0.8
147.08060	1.6
157.10120	0.6
159.02928	1.3
159.08101	1.7
167.06987	0.7
169.42451	0.4
171.08046	1.2
181.04997	0.4
182.05244	0.7
185.09665	0.8
189.03989	1.2
189.09113	0.7
195.08052	1.0
207.13655	0.5
208.14180	0.5
213.09134	1.5
217.75188	0.4
220.70888	0.4
231.05054	1.3
231.10085	0.8
250.05457	0.4
271.83054	0.5
328.09406	0.5
358.13605	0.7
388.15039	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	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05510	20.0
58.05952	10.1
63.46851	10.1
67.05505	17.7
69.03433	17.0
70.64946	38.6
71.05003	17.7
79.05492	20.0
80.91619	9.7
81.07066	10.0
82.04921	10.8
82.49110	10.1
83.05027	13.7
85.02936	26.6
85.06546	29.2
86.09694	16.5
91.05482	39.4
93.07050	25.1
95.04977	13.7
95.08599	11.9
97.02895	32.2
97.06558	11.9
105.07027	31.6
107.08598	44.3
108.67460	11.9
109.10149	27.0
115.89101	10.3
117.07055	17.3
119.08595	55.7
121.06490	12.1
121.10145	14.6
123.04420	10.4
123.08125	51.9
127.03915	12.4
131.08566	43.8
133.06421	16.4
133.10152	18.4
134.65588	10.3
135.08044	12.5
135.11765	14.2
137.05922	11.7
137.09610	35.0
147.08080	25.1
147.11708	45.0
149.09615	31.6
159.11723	21.8
161.13329	27.6
163.11166	19.7
177.12758	13.4
189.12799	28.4
191.10693	16.8
207.13812	100.0
209.11705	26.3
225.14943	16.0
227.12848	16.2
244.17770	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	387.2015
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
51.82987	10.4
55.05507	10.8
55.89960	9.2
69.03416	14.9
69.46817	78.9
72.08157	10.0
75.65379	11.0
76.11453	10.1
79.05492	11.0
81.03386	12.8
85.02888	17.8
86.09702	16.4
91.05501	20.0
95.04977	15.2
105.07035	29.4
107.08581	33.6
117.07017	21.2
119.08588	55.9
121.06469	25.3
123.08077	55.5
131.08533	18.8
133.10147	12.8
137.09625	24.8
143.08635	14.1
147.11673	41.5
149.09618	17.5
159.11697	29.4
161.13237	33.5
177.09045	11.3
185.38823	10.3
186.53983	11.2
189.12711	17.0
207.13811	100.0
236.49779	11.6
308.24301	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	387.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.02387	0.3
53.03950	0.9
58.20524	0.1
65.03910	0.2
67.05498	0.2
69.03448	0.3
70.42126	0.5
75.96704	0.2
77.03936	0.3
79.05499	4.5
81.03426	0.8
81.07048	0.3
90.24912	0.2
91.05467	0.4
93.07056	0.7
95.04996	1.4
95.08614	0.4
103.05482	3.1
105.07038	100.0
106.07365	1.0
107.08615	0.3
109.10153	0.2
119.04957	1.6
119.08575	0.4
121.06528	0.4
121.10197	0.3
123.03024	0.2
129.07097	0.2
131.08571	0.2
133.10159	0.3
137.06012	0.2
143.08615	0.3
145.10156	0.5
155.08650	0.2
159.11688	0.2
173.13225	0.2
183.11823	0.2
185.13281	0.3
187.14861	0.7
195.00641	0.2
211.25476	0.2
303.21362	0.2
331.12778	0.2
387.30411	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	387.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.2
55.05502	11.8
57.03443	8.6
57.07066	8.0
67.05498	27.9
69.03431	49.6
69.07065	13.1
70.06588	16.0
70.72971	17.6
70.73306	11.9
71.04990	14.2
72.08153	46.2
79.05501	41.0
81.03415	25.3
81.07066	18.2
83.04983	12.4
85.02898	29.8
85.06549	88.8
85.62508	6.8
86.09710	24.9
91.05479	61.7
91.53090	6.4
93.07051	47.0
95.04967	27.2
95.08598	17.0
97.02904	88.8
97.06503	12.2
103.05476	16.2
105.07041	53.9
106.04185	21.3
107.04969	24.5
107.08561	42.1
109.02805	10.2
109.06534	16.1
109.10165	11.5
111.04472	11.4
115.03944	9.5
117.03358	17.6
117.07032	34.5
119.07803	12.1
119.08584	35.6
121.02845	38.4
121.06493	33.7
121.10144	40.7
123.08072	27.5
127.03908	25.1
129.06941	9.9
131.04904	17.5
131.08569	100.0
132.05663	10.9
133.06487	23.0
133.10115	18.7
135.04372	8.1
135.08084	15.2
135.11707	17.4
137.05949	42.4
137.09636	22.8
139.07564	8.0
145.02850	35.2
145.10132	32.7
146.03165	18.3
147.08081	17.1
149.05984	55.5
149.09616	73.7
151.07564	18.3
153.05495	16.1
159.08022	9.9
161.05997	16.5
161.09590	9.4
163.03886	8.7
163.07550	12.0
163.11200	35.3
165.09099	22.9
167.07083	39.4
167.10626	41.7
173.06100	9.1
173.09634	9.7
177.05455	70.8
177.12729	12.3
178.05827	35.8
179.07048	9.8
179.10599	7.7
181.12218	19.7
189.12721	10.0
191.10683	71.4
203.07034	8.8
207.06506	14.9
207.13824	58.6
209.11754	88.7
215.07162	8.8
225.14850	27.3
227.12794	59.1
252.09421	21.7
255.06654	7.8
316.09470	14.4
357.13452	10.2
369.13531	9.6
387.14740	33.7
387.20148	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	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03946	0.4
54.97191	0.3
55.01859	0.4
55.05489	0.4
57.03429	0.5
58.83739	0.3
59.23925	0.3
65.03931	1.1
66.04735	0.5
67.05499	0.8
69.03430	1.1
69.07066	0.3
71.36259	0.6
71.95445	0.3
72.08161	0.5
73.51552	0.3
78.04684	0.4
79.05502	1.5
81.03390	0.4
81.07045	0.9
82.04179	0.6
84.59000	0.3
85.02917	1.9
85.06552	0.3
86.09717	0.7
88.25276	0.3
91.05470	1.9
93.03420	0.4
93.07069	0.5
94.04191	3.0
95.04974	1.0
95.08622	0.4
97.02894	0.7
97.06522	0.6
103.05466	0.7
105.07047	0.7
107.04968	1.2
108.02161	0.3
109.06532	0.5
115.05468	1.6
117.07030	2.0
117.50578	0.3
119.08604	0.9
122.03658	8.7
123.04445	1.0
125.06020	0.6
127.03971	0.4
127.05393	0.3
133.10147	0.6
137.05986	100.0
138.03146	0.4
138.06328	1.3
142.02629	0.4
143.04919	2.4
145.06509	2.3
147.08046	0.8
151.03928	3.0
155.06049	0.7
161.06012	0.5
161.09647	1.3
165.09109	0.9
167.07050	13.3
171.04416	0.4
171.06625	0.5
173.05994	3.1
175.07570	1.0
177.12888	0.4
181.04971	13.0
189.12770	0.4
203.06981	1.8
205.08665	1.8
207.10007	0.4
207.13779	2.3
209.15431	0.5
221.08005	0.3
233.08098	1.8
235.09660	2.4
249.09340	0.4
250.06265	0.4
297.11328	0.3
309.08643	0.3
337.10709	0.4
355.11758	0.4
357.13324	13.3
358.13440	0.4
387.14407	24.0
388.14648	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	387.1265
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.02161	0.8
65.44795	1.3
69.03418	1.6
69.63934	5.7
70.06602	7.4
71.78233	0.9
72.08147	2.5
74.06058	1.1
79.05482	1.3
81.03396	1.4
84.04488	1.0
84.08150	2.0
85.02909	2.6
86.09712	5.1
90.29175	1.0
91.05482	2.0
93.07037	1.3
94.06571	1.2
97.02869	1.2
98.21422	2.0
105.07048	1.0
107.08587	1.0
109.02877	1.9
109.46217	1.2
112.28639	1.0
115.92683	0.9
117.06997	2.1
119.04961	1.6
123.08060	0.9
127.03930	1.7
129.10258	0.9
135.04385	0.9
137.05930	1.8
139.07309	3.3
139.08557	1.2
147.04378	2.4
167.07076	1.4
173.09096	0.9
174.05754	1.0
207.06573	3.1
207.11398	1.5
207.13770	1.4
223.81435	0.9
227.05338	2.1
271.04294	1.4
301.12576	10.2
325.12558	1.9
343.13663	47.5
369.11191	2.3
381.00882	1.1
387.12534	100.0
388.12582	2.6
395.87061	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	387.1055
Annotation	5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
52.20982	5.3
53.29566	6.3
56.96570	6.9
70.06600	13.2
71.59028	7.8
72.08147	7.9
86.09704	8.1
86.95199	4.8
89.57334	4.8
98.97589	15.6
116.98613	7.0
183.03371	27.9
201.04388	23.2
207.13757	19.2
219.01750	8.7
223.04292	7.6
225.04396	30.6
237.02786	18.2
243.05333	30.0
257.86127	6.7
280.75198	4.8
327.07706	29.9
345.08627	17.9
387.09897	100.0
387.26974	10.9
405.10693	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	387.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
54.76128	0.3
55.05513	0.4
65.03946	24.0
67.05508	0.7
69.03422	0.8
69.27257	2.1
69.27666	0.5
70.01621	0.3
70.06612	0.4
78.03444	0.8
79.05502	0.7
81.03424	0.7
91.05492	1.4
92.05010	9.7
93.05789	0.3
93.07043	0.8
94.04165	0.9
94.06588	1.9
94.07078	0.4
95.04926	0.4
95.07373	0.5
97.02864	1.2
97.06527	0.4
103.05462	0.7
104.05083	0.3
105.07030	1.2
106.06585	0.6
106.07360	0.4
107.04935	0.8
108.08121	3.9
109.06493	0.4
110.06063	0.5
115.05484	0.5
117.07018	0.6
118.06548	0.5
119.08581	0.6
120.04477	11.5
120.08120	2.3
122.03643	2.4
122.06039	4.8
123.04450	0.5
125.02384	0.4
128.06218	0.3
129.07008	0.3
131.04999	0.4
131.08585	0.5
132.08119	0.5
133.10133	0.6
134.05995	0.4
136.07582	8.2
137.05988	26.2
138.05414	0.4
138.06352	0.4
139.07477	0.5
143.04942	0.8
145.06494	0.8
145.10104	0.5
146.05959	1.5
147.09296	0.3
148.03943	100.0
148.07553	5.2
149.04274	1.3
151.03938	0.9
158.09714	0.4
160.07561	0.6
161.09674	0.9
162.05498	0.5
164.06973	0.4
165.09134	0.9
166.05013	35.5
167.05521	0.4
167.07100	5.7
169.07605	0.4
172.07591	0.3
173.06009	1.2
174.05531	1.2
179.08514	0.4
179.10428	0.3
181.04968	3.4
182.09709	1.7
183.09218	1.2
184.09935	1.9
186.09135	1.1
187.08788	0.4
189.45154	0.3
194.08234	0.4
197.10725	0.9
198.11533	0.8
199.12343	1.6
200.10704	0.5
202.08694	0.4
203.06902	0.6
205.08621	0.9
207.10133	0.4
209.10809	0.7
210.09164	1.0
210.11102	0.4
211.08728	0.9
212.09448	2.4
214.08585	0.5
222.07643	0.6
225.10271	0.8
226.11014	0.9
227.11807	4.6
228.10167	0.6
229.13287	0.4
233.08090	0.7
235.09743	0.7
239.08243	0.3
240.08972	1.1
254.10461	0.6
255.11317	18.4
256.11450	0.5
257.12830	0.9
259.10904	0.4
273.12396	1.9
283.10788	71.6
284.11060	1.8
297.12250	0.3
301.08398	0.5
301.11847	9.6
307.10709	0.7
325.11816	0.9
341.11264	2.0
357.13354	3.5
369.10815	18.9
370.11038	0.6
387.14612	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	386.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	4.4
57.67777	5.1
69.07059	5.6
70.99458	10.7
77.00594	18.3
85.02847	6.2
87.18463	4.4
89.06039	6.0
91.05779	4.5
95.01648	48.9
95.08581	5.2
96.65285	4.4
97.02915	4.7
105.03724	20.5
118.03230	5.5
121.03169	6.5
122.06376	9.9
145.06703	7.2
147.04733	39.6
165.05730	5.6
167.05545	9.3
169.03503	20.6
187.05949	5.7
189.09422	100.0
195.06720	4.8
279.14420	20.0
322.31042	34.5
345.61609	5.2
386.40057	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	387.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.3
62.98923	3.0
69.42026	23.1
77.29095	2.9
81.03419	3.6
85.02901	9.1
93.07048	3.5
98.97585	11.4
105.07028	5.9
112.89272	3.0
116.98625	4.2
121.10145	4.0
122.03683	10.1
122.77568	3.2
123.04413	3.8
123.08090	3.6
128.98665	4.3
134.99706	3.6
137.05983	100.0
147.08055	3.2
161.09642	5.5
167.07077	15.8
167.21748	3.1
171.11844	3.7
181.04927	15.4
202.08609	6.8
203.07031	4.0
207.13762	11.5
208.37560	3.5
208.69940	3.4
219.01764	4.6
237.02887	5.8
243.21213	3.2
267.47403	3.9
301.09644	12.6
304.30923	3.4
319.10580	18.3
357.13358	23.2
387.10202	16.3
387.14835	27.1
405.43579	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	385.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	12.8
55.05513	20.6
57.03436	16.5
58.50217	7.7
61.02919	15.4
64.36707	9.2
67.05532	11.2
69.03438	50.0
70.06587	32.1
70.52680	20.0
70.53040	15.1
71.01344	7.7
71.04990	20.6
72.08173	12.1
74.66940	7.5
75.14832	9.8
79.05505	24.1
81.03421	24.5
81.07084	19.5
83.05014	39.2
85.02908	91.2
91.05478	28.7
93.07042	30.9
95.05013	11.5
95.08615	11.3
96.07600	7.7
97.02917	33.9
97.06538	24.6
99.04448	14.6
103.03977	9.8
105.07060	45.6
107.04969	100.0
107.08604	29.6
109.02907	24.1
109.06542	39.0
117.07033	67.8
119.08592	34.8
121.06519	22.6
121.10158	23.8
121.22025	8.3
123.08086	32.9
125.06034	8.1
126.95322	7.0
127.03933	16.1
128.62117	8.6
131.08603	21.8
133.10146	9.7
135.08072	28.7
135.11732	13.3
137.06013	9.6
137.09581	8.3
141.01842	9.7
145.04991	16.0
145.10132	39.8
147.08060	25.5
149.09628	12.0
153.09100	10.0
159.08037	13.0
159.11743	29.1
161.06044	11.6
161.09637	10.5
162.04134	17.5
163.07579	20.9
163.11183	25.4
165.09151	21.1
177.09143	14.2
177.12758	9.3
187.11253	18.7
195.10196	26.0
205.08664	13.8
205.12302	74.7
209.08124	12.3
223.05878	10.6
223.13327	72.2
270.09106	8.4
324.61618	8.2
367.17419	37.3
385.10739	26.3
385.14447	13.1
385.19012	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	385.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91392	5.6
52.74772	5.7
53.03950	14.4
54.76738	4.7
55.05511	28.7
57.03432	13.7
60.79062	5.5
62.06087	12.3
62.41990	5.8
64.46563	6.5
67.05490	26.0
69.03430	44.5
70.06596	8.0
71.58412	6.3
71.58836	9.6
72.08141	12.1
79.05478	20.9
81.03419	28.6
81.07061	12.2
83.04980	8.1
84.08109	7.5
85.02896	31.5
85.06519	9.8
86.09681	22.2
87.04436	7.2
90.61257	5.0
91.05477	26.7
93.07063	33.4
95.04993	8.1
95.08596	61.2
97.02903	100.0
97.10167	7.8
99.04491	6.3
105.07011	30.1
107.04894	6.5
107.08616	50.8
109.02871	9.7
109.06540	7.9
109.10184	7.0
111.04465	6.3
111.08047	6.9
115.03947	9.7
116.07126	9.0
117.07039	92.1
119.08590	48.8
121.06500	24.9
121.10109	16.6
123.08067	62.0
125.09666	13.9
127.03905	19.0
130.06487	7.2
131.06894	9.9
131.08562	23.2
133.10170	13.0
135.08051	32.6
137.09583	14.1
137.14540	5.9
141.54724	6.8
147.08022	12.2
147.11682	44.4
149.09648	41.3
151.07556	7.7
153.09067	9.7
159.07909	9.0
159.11685	24.6
161.09590	6.4
161.13275	34.2
163.07568	19.8
163.11246	10.7
167.07040	9.3
171.11542	6.1
177.09116	20.7
177.12737	21.5
179.69829	6.0
189.11226	12.8
189.12718	39.3
195.10167	25.1
205.08578	12.9
205.12199	25.4
207.12080	11.1
207.13850	82.0
223.09697	7.8
223.13255	17.1
225.14697	7.2
227.12796	25.0
235.13338	7.3
243.06525	6.3
245.13867	44.4
256.10132	8.8
260.10199	7.9
273.72488	7.4
307.09381	9.5
325.10498	8.4
385.08960	14.7
385.14810	13.1
386.16049	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	385.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51546	0.7
53.03946	6.0
55.01875	0.9
57.03431	3.3
59.04515	0.9
67.05480	1.2
69.03432	5.1
69.08981	0.8
70.43488	1.3
70.43848	2.6
71.04991	1.5
78.08193	0.8
79.05499	7.4
81.03416	17.7
83.05001	4.2
84.90374	0.7
85.02925	5.1
91.05482	16.2
93.07045	12.2
95.04964	2.8
97.02900	4.4
97.06519	1.1
99.04448	3.3
100.34003	0.9
105.07033	2.9
107.04946	4.5
107.08593	8.3
109.02897	4.8
115.05477	2.1
117.07024	100.0
118.07344	1.5
119.08580	7.1
121.06524	5.7
121.10138	3.8
123.04391	2.1
125.05962	0.9
127.03906	3.5
131.08566	14.6
133.06522	2.4
133.10150	1.8
135.08058	17.1
143.08525	1.0
145.06491	1.6
149.09647	10.7
153.05431	2.4
159.08051	6.3
161.06013	2.2
163.07549	21.6
167.10683	0.8
177.09117	20.3
181.08502	1.1
187.07550	2.5
191.10672	1.7
195.10179	24.0
205.08621	9.3
209.11855	1.5
223.09737	5.9
225.07640	2.0
241.10712	5.2
367.13821	2.6
385.14859	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	385.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86406	1.2
53.03949	6.2
55.01865	2.9
57.03420	3.5
67.05492	2.3
69.03436	7.1
69.48074	6.9
69.48484	2.2
71.04972	1.4
72.18366	1.1
76.28561	1.3
79.05515	6.6
81.03418	20.6
81.07043	2.3
83.04971	4.2
85.02889	4.7
91.05489	18.2
93.07047	13.2
95.04969	2.8
97.02860	2.8
98.20744	2.1
99.04430	2.8
105.07037	4.5
107.04947	3.1
107.08600	6.7
109.02872	5.3
109.28669	1.4
109.41796	1.1
115.05434	2.9
117.07026	100.0
119.08597	10.4
121.06515	7.0
121.10143	3.8
123.04448	1.4
123.08060	1.1
125.05984	1.9
127.03928	5.7
131.08566	14.9
133.06511	2.8
133.10139	4.4
135.04454	6.3
135.08060	18.4
143.08527	1.6
145.06454	2.0
149.09628	10.5
153.05475	2.6
159.08073	7.7
161.05954	2.0
161.09688	1.6
163.07562	19.6
167.07036	1.4
177.09120	21.6
187.07516	3.3
195.10190	21.8
205.08600	16.3
223.09663	8.0
225.07513	2.0
241.10703	3.9
367.13782	3.4
385.14380	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	385.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09365	0.8
52.88779	0.7
53.03943	5.1
55.01871	0.9
55.05498	0.8
56.39556	0.8
57.03431	2.7
65.95636	0.8
67.05492	1.8
68.23707	0.7
69.03415	6.2
70.06588	2.3
71.04997	1.3
71.20302	1.6
72.08154	1.0
73.02908	1.4
79.05492	6.8
81.03416	18.1
81.07053	1.2
83.04996	4.3
85.02897	4.6
85.06524	0.9
86.09711	1.0
91.05494	15.4
93.07047	13.3
95.04968	2.6
97.02911	7.0
97.06534	1.1
99.04433	2.4
105.07035	3.0
107.04948	4.0
107.08602	9.4
108.83980	0.7
109.02868	6.0
109.06546	1.0
115.05481	1.9
117.07027	100.0
118.07310	1.1
119.08608	7.2
121.06517	6.4
121.10161	2.1
122.48083	0.8
123.04428	2.9
125.05960	0.8
127.03908	7.4
131.08572	13.4
133.06519	1.7
133.10194	1.4
135.08070	14.9
145.06479	2.3
149.09627	10.4
149.99947	0.7
153.05461	2.5
153.09158	1.2
159.08051	6.0
161.05978	1.3
163.07552	20.3
177.09117	19.7
181.08551	0.9
187.07607	2.6
190.17795	0.7
195.10201	22.1
205.08627	12.8
223.09615	6.2
225.07607	1.0
241.10741	5.9
267.99637	0.8
312.49957	0.8
320.44925	0.8
323.78577	0.8
349.12839	1.3
356.66156	1.0
367.13849	1.4
385.14734	2.2
385.31714	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	385.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	2.5
56.96569	34.2
69.03419	4.9
70.01661	6.2
70.06594	5.2
84.96054	12.0
85.02908	7.1
88.02206	3.3
97.02901	4.1
98.21503	1.7
98.97591	72.9
107.04968	33.5
108.18591	1.6
110.97581	25.1
112.07646	2.0
112.99157	3.1
116.98636	42.7
119.01923	2.0
123.04409	1.7
124.99142	2.8
125.30342	1.6
127.03946	2.2
128.98619	36.1
130.08629	3.1
131.00186	5.1
134.02678	2.4
134.99670	16.3
136.06201	4.0
136.29512	1.7
140.98602	2.6
143.00168	6.1
144.98036	2.0
146.99677	24.4
149.01302	3.9
152.98677	3.8
154.67651	1.8
155.00237	2.1
156.03313	4.6
158.99658	7.8
161.01257	13.4
161.02515	2.1
161.02951	1.6
163.00616	2.2
165.00719	2.6
170.99673	11.5
173.01274	2.8
174.04420	4.5
177.00761	12.7
181.01770	4.2
181.03375	3.3
186.04384	8.4
189.00714	8.3
199.02736	2.6
199.04492	2.2
201.00777	7.6
204.05463	7.7
205.01793	2.2
219.01779	52.0
220.69772	1.7
223.02768	2.3
228.45688	1.7
234.98972	2.0
235.02789	3.4
237.02840	100.0
251.04239	2.3
255.03891	8.6
307.04517	10.6
325.05957	84.6
326.02252	5.1
343.07004	16.5
344.03281	3.4
362.04047	1.7
367.00995	2.2
385.08139	22.1
394.52567	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	383.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01883	2.1
55.05512	15.4
57.03445	2.8
57.07069	5.8
65.03941	3.5
67.05508	37.6
69.07073	23.2
69.39554	17.7
78.98888	2.3
79.05492	22.3
81.07063	76.4
81.15799	2.0
83.04990	3.2
83.08630	13.6
85.06549	12.7
91.05477	28.1
93.07050	63.0
95.04977	5.2
95.08611	97.5
97.06507	3.2
97.10192	5.1
105.07039	68.8
106.06233	1.9
107.08600	68.1
109.06503	4.4
109.10165	70.1
111.08108	6.3
115.05522	2.4
117.07014	6.6
119.08591	100.0
121.06432	3.3
121.10152	62.8
123.08056	5.3
123.11709	19.1
131.08586	16.9
133.10141	52.7
135.08054	3.9
135.11700	38.0
137.09647	2.4
137.13245	10.9
142.07768	2.9
143.08553	3.8
144.09398	2.2
145.10146	18.6
146.10779	2.5
147.11696	40.1
149.13261	42.6
151.07605	3.3
151.14908	2.5
157.10107	7.9
159.11723	26.1
161.09630	2.9
161.13269	46.7
163.14830	27.6
165.09116	2.7
171.11700	3.5
173.13260	13.5
175.11281	4.4
175.14828	43.5
177.12877	2.5
177.16402	8.1
179.03442	4.0
179.14349	7.0
183.11755	3.7
184.29382	2.5
185.13301	8.6
187.14845	8.6
189.16359	19.3
191.14354	2.5
191.17949	68.4
193.15929	8.1
195.11539	2.5
199.14857	3.9
201.16298	11.3
203.14348	2.2
203.17969	20.3
205.19574	4.9
207.17381	2.7
213.16336	4.1
215.17937	9.2
217.19479	15.8
221.15427	7.9
231.21162	2.9
233.19090	2.9
241.19563	2.6
243.21074	2.8
255.21107	3.7
257.22650	5.1
267.21198	2.3
313.25424	2.6
365.32092	21.0
383.20407	17.7
383.25470	9.0
383.33102	80.9
384.33435	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	383.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.2
55.05507	20.3
65.03945	4.1
67.05508	37.5
69.07076	28.5
71.58918	7.0
74.22779	4.2
79.05501	26.7
81.07061	63.0
82.75323	3.9
83.08613	9.6
85.06540	14.0
91.05476	35.6
93.07046	51.4
95.04913	5.3
95.08614	100.0
97.10152	6.4
105.07039	63.6
107.08595	61.9
109.10164	51.3
117.07030	8.7
119.08585	91.2
121.10140	56.6
123.07996	6.5
123.11697	12.4
125.09626	5.1
129.07100	5.1
130.65233	4.7
131.08589	14.0
133.10109	39.4
135.11714	37.1
137.13229	13.7
143.08542	4.5
145.10135	15.6
147.11685	30.1
149.13274	34.1
157.10249	4.8
159.11681	28.1
161.13289	44.6
163.14862	24.1
167.71715	4.3
171.11678	9.1
173.13217	13.7
175.14859	42.7
177.16446	8.3
179.14223	4.8
187.14792	11.0
189.16475	20.7
191.17957	68.3
193.15935	5.2
201.16447	10.6
203.18019	21.8
213.16515	5.3
215.18025	8.7
217.19554	10.2
227.17822	5.4
257.22672	9.2
365.32190	20.8
379.37924	4.7
383.25504	6.5
383.33240	79.3
384.33243	5.7
401.17398	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03934	8.1
55.01865	3.5
55.05514	15.2
57.03434	4.6
57.07079	14.1
59.04984	7.3
59.32581	2.2
65.03933	3.1
67.05228	2.8
67.05512	33.2
69.03441	15.9
69.07059	9.1
69.32842	26.6
71.04993	5.8
77.03941	3.2
79.05498	33.9
81.07057	43.5
83.04974	7.3
83.08606	5.0
85.06532	7.4
91.05486	50.6
93.06467	5.0
93.07049	100.0
95.04968	23.4
95.08614	42.3
97.06522	17.6
98.21500	6.7
105.07035	78.9
107.04964	4.2
107.08598	45.4
108.05672	2.9
109.06521	27.1
109.10168	17.3
109.10794	3.2
111.08072	8.9
116.06200	3.4
117.07005	11.4
119.07796	3.9
119.08596	60.5
121.06514	13.8
121.10155	45.1
123.08079	33.9
123.11726	4.5
128.06232	10.4
129.07002	11.9
130.07776	4.1
131.08580	27.1
133.06491	11.4
133.10123	28.7
135.08067	19.6
135.11708	3.6
137.09605	13.6
142.07794	19.8
143.08601	19.2
144.09331	4.8
145.06488	2.8
145.10118	39.2
146.07269	3.9
147.08060	31.1
147.11711	22.1
149.09633	27.0
151.06439	3.8
151.07567	43.4
153.09167	4.0
155.08578	9.8
156.09358	5.9
157.10141	44.7
158.10895	2.8
159.08080	7.4
159.11719	15.3
160.08907	5.3
161.09583	20.3
161.13254	10.0
163.11237	7.2
165.09138	38.0
167.08606	4.9
169.10135	7.9
170.10878	5.6
171.11723	7.2
173.09627	10.5
173.13245	6.3
175.11229	21.6
175.14807	7.8
177.09132	16.8
178.09932	3.9
179.08485	3.5
181.10152	4.2
182.10770	3.0
183.11743	4.8
185.13235	23.8
187.11217	5.5
187.14862	3.6
189.12755	11.2
195.11629	4.1
197.09685	2.9
197.11638	3.3
197.13240	7.3
199.11240	4.9
201.12773	10.7
203.14322	28.3
207.11861	4.1
207.13809	14.2
209.13228	7.1
209.15312	6.7
211.14783	3.0
213.12817	5.1
215.14323	10.2
216.15041	3.4
219.13852	6.0
221.15364	68.1
225.16306	3.1
227.14316	6.7
229.12317	3.8
231.13850	6.2
233.15309	5.4
234.16156	13.4
271.16861	3.4
281.19070	5.5
286.19193	7.3
287.20074	9.4
303.19318	3.2
309.18649	4.2
313.21835	3.1
365.24670	11.5
383.25827	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.05518	14.6
57.03444	3.7
57.07075	13.0
59.04995	6.7
65.03931	4.0
67.05513	44.4
69.03440	10.4
69.07074	17.1
71.05003	6.1
71.59320	3.9
71.59727	3.0
79.05497	35.5
81.03408	4.5
81.07066	45.5
83.04996	6.7
83.08626	6.9
85.06556	9.4
89.06036	3.2
91.05484	47.0
93.07051	100.0
95.04975	24.6
95.08615	46.6
97.06538	10.0
101.19141	2.5
105.04533	2.8
105.07040	78.3
107.08603	56.6
109.06541	19.7
109.10168	29.7
111.08109	7.5
115.05461	2.5
116.06253	3.1
117.07085	12.8
119.08593	65.7
121.06518	17.1
121.10148	47.5
122.48116	2.9
123.08081	30.0
123.11712	4.1
128.06232	7.4
129.07024	12.9
130.07782	7.3
131.08563	29.9
133.06509	12.4
133.10126	40.1
133.82338	3.1
135.08072	26.5
135.11723	14.5
137.09648	12.2
142.07820	15.6
143.08560	20.6
144.09354	5.9
145.10136	39.2
147.08049	24.9
147.11705	22.9
148.08827	4.4
149.09610	34.0
149.13286	8.8
151.07545	40.1
153.09077	4.2
155.08597	7.5
156.09309	5.5
157.10146	37.6
159.08090	8.8
159.11699	23.2
161.09587	14.4
161.13275	16.6
161.59290	2.7
163.11223	9.1
163.14824	7.6
165.09154	40.2
169.10120	7.2
170.10846	5.3
171.11720	8.9
173.09657	13.0
173.11867	3.5
173.13301	10.5
175.11205	19.1
175.14864	13.3
177.09119	14.0
177.16454	3.7
178.09915	4.7
179.08522	2.9
181.10089	3.3
183.11700	7.0
185.09711	3.2
185.13297	12.0
187.11229	5.7
187.14847	3.8
189.12762	12.0
189.16475	6.5
191.14313	3.5
191.18025	4.3
195.11690	4.6
197.09660	3.5
197.13361	5.1
199.11218	6.4
201.12814	8.1
201.16457	3.3
203.14362	30.8
203.18037	5.5
207.12010	3.8
207.13741	12.3
209.13383	3.3
209.15375	3.9
211.11267	2.8
215.10840	4.5
215.14348	6.1
215.18123	3.2
216.15179	3.4
219.13895	8.3
221.15376	72.6
227.14325	4.5
231.13844	5.5
233.15431	7.8
234.16037	13.5
241.15639	3.0
265.15723	3.7
281.19211	3.3
283.20483	2.7
285.18628	2.8
286.19327	4.2
287.20114	5.2
299.20160	5.4
303.19675	8.7
365.24820	8.4
365.32214	6.1
383.25845	65.8
383.33267	13.7
383.37003	3.0
384.26312	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.30502	2.6
53.03938	7.4
55.05514	23.3
57.07062	10.2
59.04997	12.0
60.24159	2.7
65.03934	5.1
67.05515	47.2
69.03438	16.3
69.07059	8.5
69.56676	18.1
71.04998	5.3
71.08608	3.0
79.05495	35.8
81.07067	44.8
83.04960	7.1
83.08631	10.2
85.02924	3.1
85.06546	8.5
87.04527	4.0
91.04956	4.9
91.05490	52.4
93.06471	5.6
93.07053	100.0
95.04968	30.1
95.08617	43.3
97.06544	19.3
105.07037	91.1
105.07604	2.0
107.08598	63.7
109.06523	30.8
109.09570	3.1
109.10172	36.2
111.08067	10.5
117.07025	17.8
118.60683	3.2
119.04953	3.8
119.08591	61.1
120.09372	4.7
121.06522	17.8
121.10149	57.4
123.08078	33.8
123.11741	3.6
128.06215	7.0
129.07005	19.7
130.07770	7.3
131.08575	38.4
133.06474	8.1
133.10135	39.1
135.08080	30.1
135.11676	10.5
137.09653	11.8
141.06921	5.3
142.07823	21.7
143.08563	30.6
144.09357	8.4
145.06491	4.9
145.10143	45.2
147.08054	24.6
147.11693	25.3
148.08694	4.7
149.09613	33.3
149.13280	4.0
151.07553	38.6
151.11234	3.4
153.09134	3.2
155.08575	11.3
156.09351	12.1
157.10133	42.9
159.08061	13.4
159.11684	24.3
160.08824	4.4
161.09641	22.9
161.13257	11.0
163.11156	12.0
165.09137	39.6
167.08516	5.3
169.10156	9.2
170.10858	6.1
170.45688	3.0
171.11714	17.6
173.09618	13.6
173.13235	12.2
175.11174	22.5
175.14853	12.6
177.09164	16.5
179.08537	3.6
179.10649	2.9
181.10129	5.1
182.10992	4.7
183.11667	8.1
185.09615	3.3
185.13219	24.4
187.11154	7.5
187.14798	5.8
189.12750	12.7
191.14435	4.7
194.10913	4.0
195.11736	7.8
197.13307	7.6
199.14783	6.7
201.12753	11.4
203.14320	29.9
207.11821	5.3
207.13780	14.4
209.13310	8.5
209.15286	4.6
211.14780	6.0
213.12773	6.9
213.16283	3.1
215.14346	13.4
217.25444	3.7
219.13817	6.6
221.15364	68.2
223.14835	4.7
225.12778	3.3
227.14348	7.4
231.13828	4.4
233.15384	7.3
234.16187	18.9
255.17297	4.2
286.19308	3.9
287.20160	11.9
299.20068	7.9
303.19617	4.0
309.18451	3.4
337.25275	3.3
345.33072	3.0
347.23557	5.8
365.24783	16.2
372.31296	2.8
383.25806	87.7
384.26260	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	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73243	3.3
53.03945	10.2
55.01876	12.3
55.05511	15.4
57.03437	8.3
61.02932	5.4
67.05500	21.5
68.99794	8.2
69.03436	55.0
69.07060	7.0
71.04984	8.8
71.59645	5.8
73.02922	6.1
73.39067	3.5
79.05493	38.5
81.03420	27.1
81.07050	48.6
82.15071	4.0
83.04980	15.3
83.08547	3.8
85.02908	38.7
85.06583	4.2
86.09702	4.4
87.00837	26.6
91.05492	45.7
93.07054	88.4
95.04984	28.5
95.08616	38.6
96.98196	4.5
97.02879	26.8
97.06537	13.5
99.04453	9.4
103.05450	4.4
105.01830	5.8
105.07040	67.9
107.04944	14.1
107.08606	100.0
109.02921	6.7
109.06539	12.7
109.10136	20.1
111.04452	16.5
111.08136	4.1
115.03939	8.4
115.05468	4.3
117.07006	22.0
119.04971	5.7
119.08590	35.7
121.06525	18.6
121.10152	34.0
123.04465	7.4
123.08048	6.8
123.11744	8.3
125.05952	6.0
127.03909	9.7
127.11190	4.8
128.06166	4.7
129.01880	6.8
129.07004	8.9
130.07759	4.6
131.08568	24.9
133.02969	4.0
133.06534	11.0
133.10172	41.2
135.08076	14.6
135.11694	44.8
137.05983	9.3
137.09644	6.3
141.07025	5.7
143.08569	12.8
145.10135	31.3
146.06020	5.0
147.08089	6.9
147.11670	35.0
149.09637	10.4
149.13329	9.9
151.07654	5.0
151.11177	12.9
153.12698	5.6
155.08536	5.3
156.38014	5.0
157.10167	12.0
159.08095	11.9
159.11751	22.4
161.09703	5.2
161.13258	8.6
163.11197	29.5
165.12746	27.2
167.07072	5.8
169.10185	8.6
170.84546	4.1
171.11668	9.5
173.09558	8.2
173.13240	6.3
175.11191	13.1
175.14937	4.3
177.12808	20.2
183.11758	6.8
187.11227	7.5
189.12802	13.3
193.12177	10.0
193.15723	4.8
201.03989	6.4
201.12660	9.4
203.14348	6.7
205.12311	5.8
207.13832	7.5
215.14409	10.2
217.06436	4.6
219.13937	10.2
221.11847	4.5
221.15407	7.1
225.12758	5.4
233.15277	6.6
243.13818	38.6
249.07486	4.6
250.05855	4.8
261.14874	52.1
279.15961	12.8
291.02625	4.5
291.10278	7.1
293.50516	3.9
329.13571	5.1
347.14899	20.1
351.12314	13.3
352.13110	9.0
365.15991	18.8
372.19797	4.3
383.15457	25.2
383.52753	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	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01881	14.2
55.05512	13.6
57.03437	6.5
59.77432	2.0
61.02920	6.6
65.03922	2.7
67.05513	19.8
68.99781	7.4
69.03436	51.0
69.07061	7.5
69.79706	4.3
69.80127	9.0
71.01344	3.9
71.04988	8.2
73.02901	4.2
76.35298	2.2
79.05496	25.9
81.03033	2.9
81.03425	29.4
81.07056	47.1
83.04982	9.6
83.59527	2.8
85.02912	44.4
85.06561	2.4
87.00834	31.0
91.04964	3.4
91.05486	41.7
93.07052	95.0
95.04974	19.3
95.08617	34.7
97.02900	24.0
97.06553	7.4
99.04422	5.9
103.03931	5.4
103.05467	4.0
105.01878	9.8
105.07034	63.3
107.04974	11.6
107.08601	100.0
109.02879	10.2
109.06545	14.9
109.10159	15.2
111.04423	12.3
115.03925	6.8
115.05452	3.7
117.07030	13.7
119.04977	2.8
119.08591	36.3
121.06508	10.2
121.10152	30.4
123.04420	9.6
123.08083	12.1
123.11691	10.2
125.05990	5.9
127.03957	12.1
128.06213	3.9
129.01843	6.0
129.07018	9.0
130.07787	2.3
131.04921	2.8
131.08575	18.6
133.06479	9.7
133.10135	34.3
135.04482	3.8
135.08058	12.9
135.11699	42.5
137.06010	6.7
137.09598	6.7
137.13327	6.0
141.07024	2.5
142.07787	6.8
143.03371	3.1
143.08545	10.0
145.06505	4.6
145.10135	27.5
147.02898	4.0
147.08051	8.1
147.10632	3.9
147.11691	36.5
149.05984	5.7
149.09679	5.7
149.13240	6.0
151.11182	9.6
153.05438	3.8
155.08580	4.7
156.09319	3.3
157.06444	3.4
157.10143	11.1
159.02934	7.0
159.08098	6.4
159.11751	15.6
161.09607	5.5
161.13219	5.3
163.11183	32.1
165.12779	32.0
167.07141	3.9
169.10115	4.7
171.11685	5.3
173.09593	7.2
173.13263	4.2
175.07550	2.6
175.11186	11.7
177.12762	19.3
183.08035	3.4
183.11623	2.8
185.09654	2.8
186.08859	2.5
187.11224	4.9
189.03880	6.0
189.12755	9.7
193.12254	5.7
197.13271	5.7
199.11221	4.7
201.03938	5.8
201.09227	3.8
201.12761	7.9
203.10664	3.1
205.12245	4.7
207.13760	3.3
213.12737	3.4
215.14316	10.6
217.12366	3.1
219.01300	2.4
219.13805	10.0
225.12724	8.3
231.13686	3.6
233.15410	4.3
243.13779	33.0
261.14877	60.9
279.15939	14.1
321.17087	3.3
347.14938	16.6
365.15973	29.4
383.16974	20.5
384.17667	2.5
384.26917	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	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.01880	18.3
55.05509	14.0
57.03421	13.4
57.88869	4.0
61.02923	10.4
65.03937	7.3
67.05509	41.5
68.99789	11.7
69.03431	64.4
69.07066	9.3
70.06603	3.8
70.36913	13.6
71.04982	12.8
73.02888	4.7
79.05500	37.5
81.03420	56.4
81.07065	77.2
83.04987	21.3
85.02914	63.2
87.00834	32.3
87.04482	5.1
91.05484	42.4
93.07048	100.0
95.04991	35.2
95.08609	29.2
97.02904	31.8
97.06522	11.2
99.04455	16.4
103.03936	10.5
103.05473	4.0
105.01878	11.8
105.07038	79.5
107.04976	21.0
107.08604	94.1
109.02890	33.9
109.06532	37.8
109.10179	44.3
111.04448	18.8
111.08084	4.8
115.03929	9.7
115.05423	5.5
117.07029	15.2
119.05069	3.5
119.08590	59.8
120.69102	3.9
120.70110	3.7
121.02866	10.9
121.06551	18.3
121.10149	48.1
123.04441	41.5
123.08064	8.2
123.11680	7.5
125.05996	7.8
127.03934	25.1
129.01826	10.9
129.07037	14.8
131.08594	28.5
133.06511	16.0
133.10133	50.2
135.04425	4.7
135.08047	9.5
135.11710	49.5
137.06033	7.5
137.09599	14.1
141.05505	4.1
141.06920	4.2
142.07693	6.4
143.08623	18.0
144.09337	5.2
145.06520	7.7
145.10121	31.0
147.08037	5.8
147.11694	42.1
149.05945	14.3
149.09618	8.8
149.13274	8.7
150.80656	3.9
151.07536	8.6
151.11171	12.2
157.10147	11.8
158.07283	5.2
159.02832	7.4
159.08028	9.6
159.11717	21.9
161.09633	10.1
161.13300	9.5
163.07483	6.2
163.11180	23.1
165.12758	16.6
167.06989	7.6
169.10152	5.1
171.08055	4.8
171.11690	7.2
172.08949	3.8
173.09636	8.7
173.13290	4.5
175.07564	5.2
175.11198	15.5
177.09103	3.8
177.12793	17.3
183.08224	4.7
183.11679	10.7
185.09692	4.0
187.11221	7.0
189.03957	11.0
189.12718	13.8
191.14397	4.9
193.12280	8.4
197.13326	9.2
199.11208	4.8
201.12769	15.4
207.13867	5.1
215.14302	8.3
219.13815	12.6
225.12759	5.2
231.05022	5.2
243.13805	36.3
261.14807	36.3
279.15891	8.0
285.10239	6.6
319.49957	3.8
347.14856	12.4
365.16055	18.1
383.16925	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	382.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.7
57.07074	12.9
57.37642	7.0
58.74454	7.8
67.05496	32.8
69.07060	17.7
69.86109	41.1
78.81195	7.9
79.05487	12.5
81.07043	28.0
83.08609	10.3
91.05473	28.9
93.07042	30.1
95.08591	32.0
96.08971	7.6
105.07037	33.5
107.08580	26.3
109.10151	27.2
114.79396	7.1
117.07021	24.4
119.08565	22.4
121.10178	17.4
123.11687	8.7
131.08592	14.7
133.06494	24.4
133.10182	11.4
143.08482	8.8
145.10104	17.3
147.11630	8.0
157.10092	8.8
159.08115	7.7
159.11694	7.4
161.13300	7.7
169.10139	8.5
173.11671	7.0
181.10188	8.7
185.13193	10.7
197.13277	9.4
241.12080	11.0
297.18448	12.8
322.24609	17.4
362.43158	7.4
382.26276	100.0
382.35468	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	382.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98653	0.3
56.96286	0.5
56.96568	9.2
71.02281	0.7
71.95273	2.2
88.36710	0.3
98.97588	100.0
116.98628	65.2
131.00204	0.5
134.99666	25.6
140.00177	0.9
149.32864	0.3
153.00713	3.1
156.35796	0.3
158.01302	0.6
174.97691	0.5
196.94319	0.3
207.14839	0.4
216.98753	1.2
219.02068	0.4
234.99797	1.6
240.98634	5.8
241.00693	0.4
258.99783	70.2
259.99875	2.0
261.03006	1.0
273.01248	0.6
274.97693	0.6
277.00836	90.7
278.01053	3.3
279.01071	0.7
282.01331	1.5
283.00021	0.6
291.02390	1.1
295.01797	0.9
298.97739	0.7
299.98273	0.5
300.02429	2.6
301.01114	1.5
316.98944	0.4
317.99115	0.6
359.00192	0.4
360.00092	1.0
376.93304	0.3
382.99829	1.3
401.01044	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	383.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38803	6.0
56.96560	6.6
66.36235	5.4
67.05476	5.2
69.03426	6.9
70.06594	24.1
71.36696	8.0
81.03400	6.2
84.08174	6.8
85.02902	7.9
89.68697	6.1
90.05561	27.1
91.05894	11.4
97.02867	7.5
98.97592	26.2
102.40517	6.3
116.98631	20.2
130.06590	9.9
134.99556	8.2
147.04401	5.9
212.03104	6.2
220.07278	6.3
220.11827	18.8
221.12161	31.1
237.02721	7.7
275.08838	5.9
383.07428	100.0
383.13031	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	382.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
54.32440	0.5
55.01870	1.1
55.58243	0.5
57.03431	1.0
61.02915	1.6
68.99783	1.6
69.03430	1.8
70.02943	1.2
70.06640	0.6
71.32549	1.0
72.72123	0.6
73.02896	0.9
73.89998	0.6
79.05486	2.4
81.03424	7.3
82.02927	0.6
85.02921	5.2
87.00852	3.5
91.05491	1.3
97.02889	2.3
99.04430	1.2
103.03964	4.9
103.05459	5.9
105.01882	1.3
106.06569	4.6
107.04963	2.5
109.02890	6.7
112.03950	0.6
118.06543	1.9
126.05471	0.8
127.03950	2.0
129.01874	3.2
130.06541	13.8
132.08087	0.9
134.06027	7.8
142.06488	0.7
143.07285	0.6
144.08073	2.6
145.05002	0.7
146.06041	1.0
147.02892	1.5
158.06026	100.0
159.06403	1.2
160.07625	0.9
167.88632	0.6
172.07591	3.6
176.07079	17.2
186.05569	0.7
188.07054	2.7
189.03983	1.3
200.07086	5.0
213.22589	0.6
213.70714	0.5
214.08606	0.8
218.08058	0.9
242.08150	1.5
296.11307	1.0
338.12506	0.9
346.09152	0.8
364.10193	1.9
382.11316	13.0
383.11310	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	382.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01873	4.3
55.05506	2.6
57.03448	2.4
58.20337	1.6
60.04527	13.2
67.05508	3.5
69.03429	8.3
70.06596	7.8
71.04994	2.9
71.58353	2.4
72.08152	7.6
73.02925	2.7
75.16550	1.6
78.59178	1.7
79.05515	3.5
81.03416	8.1
81.07053	9.4
85.02909	17.3
86.05559	1.6
86.09720	8.3
87.00827	9.3
91.05489	3.9
93.07043	4.4
95.08595	2.4
97.02889	13.8
99.04464	4.9
99.08099	100.0
105.01880	7.0
107.08551	3.6
109.02913	6.8
110.07148	2.8
117.09145	6.3
119.04949	2.9
119.08569	3.3
121.10186	1.8
126.76440	2.0
127.03920	12.0
136.06206	4.1
145.04951	8.4
147.04404	6.8
148.04745	3.7
159.02806	3.0
167.10695	1.9
170.95985	1.9
185.11732	2.7
192.93500	2.0
202.15941	2.3
204.17468	14.9
220.11856	2.2
230.05405	1.8
231.05063	3.0
243.26846	1.9
364.01810	3.2
364.27228	2.0
382.11252	3.0
382.22971	2.2
382.28009	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	382.1715
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
51.55925	1.1
52.53583	1.1
53.03948	1.4
55.01871	1.5
55.05513	2.1
56.10982	1.1
57.07080	1.2
59.05004	1.3
60.04523	8.7
61.02941	1.1
67.05504	2.7
69.03433	8.0
69.07062	1.5
70.06587	4.2
71.04987	1.2
71.58990	1.4
72.08134	1.4
73.02898	1.9
79.05501	2.0
81.03410	5.5
81.07059	6.2
83.08612	1.6
84.08133	2.1
85.02490	1.6
85.02919	16.5
86.09706	2.7
87.00829	6.4
91.05490	1.5
93.07008	1.6
95.08623	1.5
97.02901	10.0
98.97584	1.5
99.04434	3.6
99.08102	26.2
105.01859	8.9
109.02875	3.5
110.07185	1.5
117.09163	6.0
119.04907	1.4
124.03939	1.4
125.09547	1.4
127.03931	10.5
129.10275	1.3
136.06198	100.0
145.04953	3.5
147.04382	2.3
148.04813	1.3
148.06201	2.9
159.06664	1.5
172.98938	1.1
173.02763	1.3
180.99461	1.6
185.08237	7.8
185.11784	1.7
202.05025	4.3
202.10909	9.9
204.11288	2.4
204.17497	2.6
220.11943	93.6
230.92996	1.3
231.05081	3.4
249.06078	2.7
250.11838	4.3
333.74896	1.4
346.25867	1.4
352.04962	1.4
364.26950	1.7
382.17218	30.5
382.27832	7.0
383.12787	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	381.0585
Annotation	Potassium lespedezate
Peak:m/z	Relative Intensity
51.53710	3.9
51.59226	3.6
57.49895	4.5
60.06604	4.2
69.64957	25.0
70.38366	3.9
72.08168	4.8
75.63003	3.9
81.07069	4.3
85.02911	5.7
85.51604	3.9
91.05495	8.6
97.27034	3.9
105.07015	4.4
131.08629	5.5
133.06473	4.3
147.04456	8.8
165.47906	4.7
219.00565	100.0
243.07622	4.4
267.07709	10.9
285.08698	8.0
313.08255	10.2
331.09204	11.3
381.05826	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25262	1.5
56.96565	28.0
57.03429	2.8
58.84097	1.4
67.77284	1.8
69.03423	3.6
70.06597	23.9
71.57786	2.2
71.95280	2.3
73.02903	2.3
81.03413	2.4
84.08150	2.1
84.96034	4.9
85.02919	8.8
88.95304	2.0
91.05457	1.6
91.76205	1.5
97.02892	6.7
98.97588	100.0
110.97588	12.9
115.00661	4.2
116.97813	3.1
116.98627	59.6
126.05554	1.9
127.03915	2.9
128.98602	18.0
130.08624	2.1
131.00108	2.9
133.01718	3.7
134.99675	28.3
141.10193	6.9
143.00212	4.8
144.98048	2.4
146.99652	15.1
147.04434	2.7
153.00742	3.4
154.03709	2.4
157.01694	5.3
158.99661	30.7
159.03290	2.1
161.01247	1.9
165.00755	2.3
169.09747	4.1
170.99675	10.2
175.02802	10.3
177.00735	41.9
177.02162	1.8
177.04236	4.0
178.05783	1.9
187.02711	2.3
189.00705	16.3
191.02293	2.4
193.00130	2.2
193.03865	3.5
195.00089	2.1
195.01773	4.3
195.05435	3.3
201.00648	10.6
207.01811	4.8
213.12399	6.3
217.03833	11.8
218.99753	3.8
219.01752	31.5
229.03833	2.3
235.03085	2.2
237.02832	29.0
248.95265	14.5
255.03912	8.5
261.02954	13.7
279.04007	10.1
291.03809	5.3
291.07376	2.7
309.08582	8.3
321.05051	3.7
321.08301	7.8
337.07877	2.4
339.09723	4.9
381.06918	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19722	5.1
62.82497	4.6
69.79385	24.9
96.70842	5.5
128.62386	5.3
134.45969	4.8
157.06270	5.0
181.48206	4.8
199.05199	5.1
212.26263	5.5
381.07898	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	380.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
60.04528	3.4
60.54001	0.5
68.03159	0.5
69.03428	1.1
69.54094	4.0
70.06615	0.7
70.70454	0.5
72.08151	2.3
79.05495	2.3
81.07069	8.2
83.05027	0.5
85.02911	3.5
86.09710	1.2
97.02918	0.8
98.21559	1.1
109.06538	5.3
116.98634	0.6
120.08115	3.7
122.79356	0.6
123.04465	4.3
127.03954	1.1
137.05988	100.0
138.05458	0.8
138.06403	1.0
145.05014	0.6
147.04466	0.8
165.05421	1.2
165.09151	0.5
177.05486	0.6
183.06551	46.6
184.06956	0.7
217.04898	0.6
219.14870	1.5
220.17311	0.6
258.11493	0.8
362.12094	0.7
362.25436	2.4
380.13492	1.7
380.26263	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	380.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.1
55.05506	13.5
57.07072	13.3
57.10666	6.1
59.05005	65.0
66.96043	6.2
67.05518	31.1
69.07065	29.6
70.34277	23.3
71.24836	5.5
79.05511	33.8
81.03432	6.8
81.07071	38.9
83.04982	6.8
85.02946	6.7
90.16228	6.8
91.05491	32.2
93.07040	19.9
95.04985	9.9
95.08610	39.7
97.06623	6.4
100.76665	8.1
103.05463	15.3
105.07041	100.0
106.07382	6.2
107.08581	24.8
109.10168	33.8
115.05462	14.1
115.11206	13.5
117.07020	20.9
119.05045	6.9
119.08544	21.0
121.10149	6.4
123.11724	36.2
129.07014	12.0
131.08559	15.0
133.06508	38.4
133.10133	12.5
135.08118	9.0
135.11658	13.8
137.09560	6.6
141.06996	9.5
143.08583	23.4
145.10150	32.2
147.11787	6.7
151.11183	9.5
155.08568	14.2
156.09346	6.8
157.10164	18.5
159.08038	7.2
159.11691	15.3
161.05994	46.6
161.09627	7.3
161.13297	7.3
163.07564	9.2
169.10144	18.5
171.11665	8.4
173.13263	6.7
173.15407	7.2
179.08588	6.6
179.10420	6.0
179.12109	6.3
181.10115	14.1
183.08041	13.1
183.11700	12.2
185.09706	11.6
189.05522	12.1
196.17247	6.1
197.13190	8.2
197.71672	7.8
201.08904	6.8
211.11139	9.4
239.17915	9.7
249.16350	12.1
255.21796	8.8
267.17480	21.0
285.18497	14.3
295.16867	26.2
313.17996	11.4
380.24310	24.6
380.34033	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	379.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23487	0.8
68.22729	0.7
69.80708	4.1
84.04486	1.5
89.03617	0.7
91.04969	1.2
91.05492	15.6
96.31296	0.8
105.07049	1.2
131.08502	0.9
147.04366	1.0
227.05270	1.4
254.12711	0.8
271.04224	2.8
293.10001	5.9
317.09967	1.0
335.11053	33.8
354.69168	0.8
373.60864	0.8
379.10025	100.0
380.10220	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	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31413	0.9
53.03939	1.5
53.91425	0.9
55.01869	2.6
55.05502	1.9
55.93507	1.2
56.05036	8.3
57.03428	1.2
60.04523	2.2
61.32763	1.0
67.05479	2.3
68.05022	2.1
69.03433	2.6
69.58820	3.7
69.59241	3.6
70.04081	55.2
70.06602	6.5
72.93755	1.6
75.83185	0.9
79.05508	6.2
80.68083	0.9
81.03421	5.4
81.07069	1.6
83.04977	2.1
83.08600	2.8
84.04040	2.0
84.04510	30.4
84.08136	2.4
85.02892	3.7
86.09687	1.5
88.03997	15.8
91.05487	34.9
93.07044	19.5
94.04031	1.3
94.06514	1.0
95.04941	2.9
95.05499	1.0
97.02890	1.4
105.07040	3.5
107.04979	3.4
107.08599	6.7
109.02875	3.4
109.06541	1.4
111.06693	10.7
111.08012	1.1
112.02139	1.1
112.03960	2.8
112.05103	1.2
113.07899	1.2
115.05463	1.1
116.07147	1.3
117.07016	33.1
119.04906	1.4
119.07797	1.3
119.08599	15.2
121.02858	2.0
121.06498	3.2
122.05999	2.8
123.04425	4.7
127.03870	1.6
129.09071	2.3
130.05008	70.1
131.08522	5.6
133.06487	3.1
135.08063	100.0
136.08389	1.4
139.06119	1.2
141.07042	1.0
145.06479	3.8
147.04355	5.3
149.09616	3.6
150.05464	1.5
151.28056	1.0
157.07213	20.8
158.97418	1.5
159.08044	7.4
161.05943	1.6
161.09634	1.4
163.07555	30.0
168.06525	3.7
170.08119	1.8
177.09109	9.6
180.06718	1.0
181.04930	1.2
181.07169	8.0
181.08588	36.9
182.09087	1.3
187.07555	3.0
195.10109	2.0
196.06105	3.4
204.08760	1.2
205.08612	22.3
216.08795	12.9
216.98058	1.5
218.10304	1.3
230.10426	1.6
234.98987	5.7
240.08807	3.0
246.11296	3.2
247.14445	1.2
248.12918	1.9
249.00438	1.0
258.09909	1.2
264.12296	4.7
274.10742	8.4
275.02054	1.3
286.09332	3.0
292.11774	18.5
293.12427	1.0
310.09442	1.4
310.12869	21.1
311.13312	1.3
333.15677	1.9
343.14072	4.8
361.15094	16.3
379.16391	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	377.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.8
60.06363	8.2
67.05499	19.0
69.03435	52.3
69.07079	90.0
70.06591	18.2
71.58860	10.0
79.05497	13.0
79.65387	8.0
81.03429	49.0
81.07056	25.8
81.52427	7.5
83.04981	16.4
84.08124	14.0
85.02905	34.2
87.00880	9.7
91.05481	18.2
91.31440	8.1
93.07040	15.6
95.04939	20.4
95.08603	13.2
95.92474	7.5
97.02915	15.9
99.04449	28.8
105.07021	16.3
107.04982	14.3
107.08630	9.6
109.02886	67.1
111.11725	36.9
121.06539	10.4
127.03926	100.0
129.12743	19.8
131.08582	11.7
132.05798	9.9
133.10126	10.7
136.07581	19.1
138.05536	10.4
143.08540	11.4
143.38495	8.0
147.04413	14.7
151.07640	9.7
159.11806	9.1
161.05919	9.5
164.07089	14.9
192.07820	11.6
231.05042	24.1
275.07813	8.6
327.08646	17.1
361.98901	9.3
362.89099	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	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03932	1.7
55.01861	0.7
55.05526	0.6
57.03441	7.9
59.05000	1.0
61.02924	3.1
69.03434	14.0
69.77461	2.6
70.06588	0.6
71.01370	2.4
71.04997	3.6
73.02896	2.1
75.04475	2.2
76.46830	0.4
81.03418	4.0
86.06074	0.5
86.15710	0.5
89.44003	0.4
98.21443	0.7
99.04457	5.1
117.05487	1.2
137.06003	0.6
138.21144	0.5
145.07619	2.4
147.04445	0.8
170.07129	1.7
172.08704	31.7
174.10274	0.8
184.97820	0.6
190.09764	1.6
198.06635	7.6
200.08212	5.8
214.09770	1.0
216.07703	17.8
218.09314	0.8
229.08585	1.0
243.08797	74.4
244.07037	1.1
244.09271	1.3
316.12811	0.6
327.09344	0.5
359.13486	2.9
377.14572	100.0
378.14859	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	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23835	1.4
51.08475	1.2
52.23595	1.1
55.01872	3.6
61.02928	5.2
67.05495	1.7
68.99792	8.4
69.03435	2.8
69.48032	9.3
79.05521	1.7
81.03429	5.5
81.90815	1.2
85.02909	6.9
87.00836	11.9
87.04464	1.4
88.34292	1.4
91.05505	4.2
95.04979	1.9
97.02899	3.8
99.04468	1.3
103.05473	3.4
105.07061	2.4
107.04987	2.9
107.28889	1.3
109.02867	1.4
115.05457	8.4
116.06251	2.3
117.07052	4.0
121.06532	3.1
128.06204	7.2
129.01823	6.5
129.07001	5.3
130.07800	1.6
131.04918	4.0
133.06461	1.4
135.04384	1.3
136.56441	1.1
137.05975	3.0
141.07005	13.4
142.07808	2.1
143.04929	4.1
143.08563	4.0
144.05727	11.8
145.06505	7.7
146.07263	2.3
147.02899	1.6
147.04416	3.2
147.08083	1.4
148.05229	4.5
151.07513	1.5
152.06209	5.9
153.07022	4.8
155.04889	2.7
156.05588	1.4
157.06508	5.3
158.07288	14.7
159.04475	2.7
159.08090	5.2
160.05225	4.2
161.05995	28.2
161.09637	3.4
162.06769	4.7
163.07545	2.4
164.08313	1.4
165.07063	5.9
166.07788	1.8
167.08598	9.9
168.05775	1.4
169.06491	11.4
170.07271	4.8
171.04439	4.5
171.08102	8.4
172.05214	5.4
173.06039	2.2
173.09630	3.9
174.06799	7.9
175.07564	17.6
175.11252	1.5
177.07022	2.1
177.09135	10.4
181.06462	5.7
183.08008	2.8
184.05190	2.1
184.08876	3.4
185.05998	8.3
185.09592	3.8
186.06795	11.2
187.07552	35.7
188.04721	6.9
188.08188	2.5
189.05492	9.6
189.09097	9.3
190.06226	3.6
191.07068	8.4
195.08063	13.0
196.08861	1.5
197.05983	5.3
198.06789	3.6
199.03941	5.1
199.07513	9.2
199.11269	2.7
200.04611	2.0
201.09116	88.1
202.09669	2.2
203.07051	2.4
203.10722	7.6
204.07799	2.3
209.09631	2.5
211.07562	4.0
212.08321	6.2
213.05553	1.8
213.09100	11.5
214.06262	11.8
215.07036	3.5
215.10719	5.9
217.05013	11.0
217.08537	1.3
223.07597	4.9
225.09102	1.6
227.07109	2.8
227.10690	43.6
229.08620	15.8
230.09073	1.8
231.10201	9.2
232.07310	26.7
237.09116	2.1
240.07961	2.1
241.08696	1.5
243.10194	4.7
245.08134	2.0
245.11765	4.0
255.10176	37.0
261.11188	2.0
273.11237	100.0
274.11481	3.7
291.12253	7.1
311.70441	1.4
317.10220	2.0
347.11243	3.0
377.12256	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	375.2381
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03949	6.9
55.01871	5.0
55.05519	19.5
56.98072	1.5
57.03439	9.7
57.07077	4.7
59.05001	2.1
61.02919	8.1
63.33194	1.4
67.05501	12.9
69.03435	29.6
69.07072	40.5
71.04992	11.3
71.59307	2.1
72.70634	1.6
73.02923	4.5
76.04009	1.5
79.05499	6.9
81.03422	15.0
81.07061	29.1
83.04980	8.6
83.08617	9.3
84.08159	2.6
85.02913	80.1
85.06554	25.3
87.04470	5.1
91.03954	3.7
91.05476	3.1
93.07038	13.6
95.05021	3.5
95.08611	46.1
96.05795	1.6
96.60638	1.6
97.02904	21.4
97.06546	4.2
97.10185	8.3
97.62698	2.1
99.04459	4.4
99.08095	20.2
100.08421	1.9
105.07063	4.1
107.08610	22.1
107.38380	1.5
109.02872	9.4
109.10168	17.8
111.08105	4.8
111.11724	7.2
113.09666	8.3
115.03945	2.0
119.08591	4.6
121.10152	32.6
122.03596	1.7
123.08071	2.5
123.11691	8.7
125.09633	7.8
127.03926	19.4
127.11186	2.2
131.08601	2.5
133.10130	2.8
135.11690	18.9
137.06000	7.7
137.13257	18.5
139.11201	8.5
141.06993	3.0
145.04953	9.9
145.10168	3.5
147.04379	2.1
149.13252	5.7
151.14810	6.4
153.12743	11.0
167.07083	3.5
177.16394	100.0
178.16769	2.5
185.13179	1.9
195.17477	39.7
203.07127	2.0
213.05438	4.2
213.18506	43.0
247.66429	1.6
315.09720	2.1
372.68100	1.7
375.10895	2.7
375.19443	3.2
375.23917	4.4
381.51431	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01892	1.2
57.03438	2.1
60.04520	2.1
61.02930	2.7
66.68443	0.8
69.03430	6.0
70.06601	4.6
70.18006	3.1
71.05002	1.0
72.08160	1.1
72.88780	0.7
73.02917	1.2
79.05489	0.8
79.64111	0.8
81.03424	3.4
82.06548	1.0
84.04514	1.2
84.08143	1.9
85.02911	22.9
86.09708	1.8
87.04495	0.9
87.27461	0.8
91.03955	1.5
91.05501	1.8
97.02910	6.4
99.04459	1.5
107.04897	1.0
109.02908	2.1
110.06046	0.9
115.05463	0.7
115.50420	0.7
116.07112	2.1
119.04912	1.0
120.08098	0.9
123.04494	1.1
124.03992	1.4
127.03952	6.7
128.06996	0.8
132.10213	0.9
137.05988	100.0
137.72493	0.7
138.06331	1.7
145.04982	5.9
147.04381	1.6
147.98962	0.8
151.07555	1.2
161.05873	0.8
163.03883	0.8
172.09879	0.8
179.07047	33.5
180.08685	2.2
181.05013	1.6
182.05397	0.8
187.10817	1.0
197.08072	2.9
212.74484	0.8
214.10846	1.3
215.10266	1.0
221.06113	1.8
221.08316	0.7
223.07536	0.9
249.05370	1.8
251.07118	1.3
267.06607	1.5
295.06204	4.9
313.07104	1.9
358.21997	0.8
376.13303	1.3
377.17865	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	375.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.8
55.01870	30.9
55.05511	28.3
57.03434	19.7
61.02914	16.2
65.03928	6.9
65.50645	6.3
67.05509	93.7
68.99788	7.4
69.03433	100.0
69.07073	54.2
70.06596	12.4
71.05006	21.8
71.59531	8.5
73.02917	7.7
79.05502	61.4
81.03426	89.3
81.07060	71.2
83.04971	17.4
83.08618	7.2
85.02901	86.6
85.06554	75.4
86.09715	21.0
87.00838	42.5
87.10043	8.5
90.74632	7.1
91.05477	62.6
93.07041	60.9
94.37318	7.1
95.04982	47.1
95.08617	68.1
97.02903	50.2
97.06548	13.1
99.04480	16.0
99.08091	22.5
103.03939	7.8
105.01879	16.4
105.07028	49.0
107.04975	30.0
107.08604	39.9
109.02918	33.0
109.06508	22.9
109.10149	58.0
111.04459	19.4
117.07043	24.3
119.08606	35.4
121.06538	31.0
121.10111	22.7
123.04432	48.5
123.08077	12.8
123.11689	7.5
125.09656	28.5
127.03925	65.6
129.06987	15.6
131.08546	36.2
133.06491	17.2
133.10170	26.0
135.08044	13.3
135.75685	8.2
136.07687	7.0
137.06001	31.3
137.09612	14.4
139.11215	12.5
143.08534	7.5
145.10135	24.7
147.08051	12.2
147.11713	16.7
149.02361	8.7
149.06134	8.2
149.09578	16.5
151.11194	17.2
155.10681	7.9
157.10143	9.2
159.02972	12.2
159.08076	18.3
161.09717	10.1
163.03856	8.6
163.11249	12.4
167.10678	13.8
171.11726	9.1
173.09628	17.8
175.11092	11.6
176.74553	6.5
179.07039	8.2
179.10750	10.6
189.03996	8.8
191.10730	11.0
193.12213	20.8
199.11205	16.7
211.13338	12.0
217.12271	47.2
231.05219	7.3
235.13368	26.9
253.14413	17.4
279.30035	7.5
321.13257	13.2
339.14615	7.6
375.12259	14.5
375.16446	21.3
376.66293	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	375.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53149	0.7
54.58721	0.7
54.68540	0.7
56.56119	0.7
65.03941	6.8
67.05514	0.7
67.78836	0.8
69.85310	3.2
73.62675	0.7
81.03443	0.7
92.05020	3.9
93.07030	1.8
94.06563	2.5
95.07339	1.4
95.08561	0.7
96.08142	3.7
98.20666	0.8
99.63053	0.7
108.08130	6.5
110.09691	4.6
116.04981	2.4
120.04485	7.8
120.08092	3.3
122.06081	3.5
127.03918	1.2
136.07588	2.2
137.05896	0.8
138.09167	6.6
144.04422	4.6
148.03946	100.0
149.04300	1.7
162.05508	3.6
166.05020	21.6
166.06422	1.1
166.08653	14.7
167.64682	0.7
172.03961	16.9
190.05011	8.3
198.11562	0.9
204.04688	1.6
204.06586	28.4
222.07718	1.0
227.11885	1.7
255.11327	14.6
273.12396	10.8
283.10800	14.0
301.11850	79.1
302.12228	1.6
319.12878	3.6
325.11942	1.5
329.18015	0.9
343.12823	13.5
357.14517	1.1
375.14859	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	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42263	0.3
53.03941	1.2
55.01878	0.6
57.03447	0.3
61.02933	0.4
69.03436	2.4
70.95820	0.6
73.02917	0.4
81.03427	2.6
85.02912	3.8
87.00835	2.2
97.02895	1.3
99.04484	0.6
105.01868	0.9
109.02884	2.8
111.39260	0.2
117.01863	0.3
127.03925	100.0
128.04282	0.7
129.01834	0.3
145.04982	1.0
159.02937	1.3
163.66623	0.3
190.75581	0.2
231.05080	0.4
376.26025	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	375.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
54.54929	0.3
55.01876	0.5
59.05003	3.1
65.03346	0.3
69.03436	3.2
69.07078	0.3
70.06614	0.4
71.26206	0.5
71.26538	0.5
73.02917	0.5
81.03416	2.9
85.02911	4.8
86.09711	0.4
87.04482	2.1
97.02901	5.5
99.04488	0.6
105.05520	0.8
105.07008	0.4
109.02881	2.3
118.08122	0.3
127.03922	100.0
128.04253	1.1
137.05989	1.1
145.04944	2.7
199.54686	0.4
221.39444	0.4
225.14043	0.3
231.08633	1.8
267.21832	0.4
279.29172	0.4
375.13953	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	374.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05502	4.7
57.02356	1.2
57.03427	3.4
59.97364	1.4
61.02938	1.2
67.05502	5.2
69.03421	6.3
69.06721	2.0
69.07072	29.4
70.06237	2.0
70.06597	16.9
71.04985	3.2
71.07747	3.2
72.08170	6.6
73.02925	1.6
73.06545	5.0
79.05489	9.5
81.03416	4.7
81.07044	5.0
83.04967	2.6
83.06104	2.1
84.04499	6.6
84.08152	5.7
85.02910	25.8
85.06535	2.4
86.06065	29.2
86.09707	24.5
87.10044	2.2
91.05469	3.8
93.07031	3.9
95.04970	3.6
95.08595	3.0
96.08119	9.9
97.02887	3.7
97.06532	4.9
98.06053	3.0
98.09698	8.6
99.04453	4.2
100.07589	3.4
100.11259	1.9
105.03381	2.5
105.07027	2.8
106.03719	1.5
107.04948	4.2
107.08583	3.1
108.04502	2.4
108.08120	5.3
109.06534	1.8
109.10159	3.2
110.07172	2.1
110.09731	1.7
112.07616	1.8
114.09180	1.8
115.07561	2.1
116.07125	2.1
116.10740	74.0
117.03340	1.4
119.08582	3.2
120.08118	1.7
121.02929	1.8
121.06523	1.5
122.06057	2.6
123.04468	1.8
124.03932	3.2
124.07587	7.0
125.09640	2.7
127.03912	6.0
128.07079	1.9
129.06554	2.6
130.06561	1.4
131.08667	1.8
132.10231	3.2
133.10159	3.1
134.09578	1.8
135.04381	4.6
135.09193	23.3
137.05992	5.5
138.09172	2.7
142.08652	9.5
145.02890	1.9
145.04926	7.6
146.05983	1.6
147.04411	2.7
147.11694	1.7
148.07545	1.6
152.07071	3.4
157.37166	1.4
159.10170	3.6
162.05492	1.4
163.03908	10.5
165.21242	1.4
166.08720	3.2
175.14700	1.4
177.07164	1.3
179.03406	1.9
188.09135	2.3
194.08185	2.7
194.15419	4.3
197.12991	2.0
199.18118	2.9
207.08395	2.0
207.22554	1.4
210.14890	1.8
212.05502	2.0
212.12898	2.5
212.16492	25.4
215.13875	2.8
230.17531	100.0
231.17867	2.0
243.08748	3.3
250.03206	1.3
268.08194	3.7
274.12854	1.8
300.10513	2.4
309.39188	1.6
310.07846	2.5
316.15652	1.4
339.22250	2.0
356.24316	1.7
374.12619	1.8
374.21658	6.1
378.32465	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	374.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71680	1.2
52.25492	1.1
55.01875	2.3
60.55120	1.2
67.05514	2.4
67.46238	1.4
69.03407	2.3
69.87543	2.1
69.87973	5.2
76.47329	1.4
79.05502	1.9
81.03436	2.4
85.02900	8.8
88.33862	1.3
91.05482	39.2
93.07034	1.3
95.04972	4.8
97.02882	2.1
98.21446	1.8
105.03413	2.5
107.04946	4.6
107.08622	1.6
115.05476	3.5
117.07020	100.0
118.07384	1.5
123.04426	3.9
127.03921	2.4
129.07030	2.7
130.06516	1.7
131.08574	66.2
133.02876	12.4
151.03908	5.3
159.08063	66.0
160.08409	1.5
161.02309	2.4
163.03868	2.2
171.14441	1.3
177.09128	37.9
179.03407	31.6
193.77237	1.4
195.10196	15.9
211.16211	1.3
212.09012	3.0
212.16574	2.0
226.10538	2.6
239.11736	2.0
240.08469	1.4
240.12099	3.5
246.83400	1.3
253.70375	1.3
254.10153	3.0
262.85913	1.5
267.11118	1.8
268.11569	3.6
296.11044	2.3
314.12158	10.0
374.10507	3.9
374.14417	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	374.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05502	4.7
57.02356	1.2
57.03427	3.4
59.97364	1.4
61.02938	1.2
67.05502	5.2
69.03421	6.3
69.06721	2.0
69.07072	29.4
70.06237	2.0
70.06597	16.9
71.04985	3.2
71.07747	3.2
72.08170	6.6
73.02925	1.6
73.06545	5.0
79.05489	9.5
81.03416	4.7
81.07044	5.0
83.04967	2.6
83.06104	2.1
84.04499	6.6
84.08152	5.7
85.02910	25.8
85.06535	2.4
86.06065	29.2
86.09707	24.5
87.10044	2.2
91.05469	3.8
93.07031	3.9
95.04970	3.6
95.08595	3.0
96.08119	9.9
97.02887	3.7
97.06532	4.9
98.06053	3.0
98.09698	8.6
99.04453	4.2
100.07589	3.4
100.11259	1.9
105.03381	2.5
105.07027	2.8
106.03719	1.5
107.04948	4.2
107.08583	3.1
108.04502	2.4
108.08120	5.3
109.06534	1.8
109.10159	3.2
110.07172	2.1
110.09731	1.7
112.07616	1.8
114.09180	1.8
115.07561	2.1
116.07125	2.1
116.10740	74.0
117.03340	1.4
119.08582	3.2
120.08118	1.7
121.02929	1.8
121.06523	1.5
122.06057	2.6
123.04468	1.8
124.03932	3.2
124.07587	7.0
125.09640	2.7
127.03912	6.0
128.07079	1.9
129.06554	2.6
130.06561	1.4
131.08667	1.8
132.10231	3.2
133.10159	3.1
134.09578	1.8
135.04381	4.6
135.09193	23.3
137.05992	5.5
138.09172	2.7
142.08652	9.5
145.02890	1.9
145.04926	7.6
146.05983	1.6
147.04411	2.7
147.11694	1.7
148.07545	1.6
152.07071	3.4
157.37166	1.4
159.10170	3.6
162.05492	1.4
163.03908	10.5
165.21242	1.4
166.08720	3.2
175.14700	1.4
177.07164	1.3
179.03406	1.9
188.09135	2.3
194.08185	2.7
194.15419	4.3
197.12991	2.0
199.18118	2.9
207.08395	2.0
207.22554	1.4
210.14890	1.8
212.05502	2.0
212.12898	2.5
212.16492	25.4
215.13875	2.8
230.17531	100.0
231.17867	2.0
243.08748	3.3
250.03206	1.3
268.08194	3.7
274.12854	1.8
300.10513	2.4
309.39188	1.6
310.07846	2.5
316.15652	1.4
339.22250	2.0
356.24316	1.7
374.12619	1.8
374.21658	6.1
378.32465	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	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.6
55.05525	2.4
57.03436	7.3
57.95525	2.4
62.06089	2.6
65.03934	3.2
67.05505	6.6
69.03435	18.1
69.07075	30.1
70.06586	10.0
70.37854	4.6
71.04984	5.0
72.08157	4.5
73.06549	3.6
79.05492	8.2
81.03414	14.4
81.07053	8.3
82.13016	2.9
84.04494	23.0
84.08153	4.3
85.02906	38.6
86.06075	20.2
86.09213	5.2
86.09713	82.0
87.00833	10.5
87.04444	2.8
87.10046	3.6
91.05487	100.0
93.07053	3.0
95.04992	5.0
95.08601	3.6
96.08124	6.6
97.02908	37.5
97.06554	3.4
98.09687	7.1
99.04462	13.5
99.08103	3.0
102.05541	11.1
105.01875	8.4
105.07017	4.9
107.08588	3.9
108.08110	7.1
109.02837	3.9
112.07614	3.6
116.10741	59.0
123.04467	2.6
124.07632	4.6
127.03914	43.4
129.06644	10.0
130.58058	2.5
132.10223	23.7
135.09193	44.6
135.10796	2.5
142.08659	6.0
145.04965	33.6
149.02354	19.4
151.11195	2.6
153.05391	3.3
159.10104	3.3
163.03949	16.8
167.07249	2.7
170.11736	5.7
173.04321	2.9
181.05054	5.9
190.48955	2.6
197.12920	13.4
212.16473	27.2
215.13968	28.5
225.12347	5.1
230.17535	73.2
231.05098	18.3
249.05986	7.4
265.81326	2.9
268.07953	3.0
296.91461	2.7
301.11380	2.8
310.07794	7.5
330.17917	2.9
365.94562	3.2
393.17014	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
53.03943	2.9
54.04260	1.3
55.01873	1.7
57.03437	2.1
61.02929	1.8
65.03947	2.1
67.72350	1.3
68.99806	1.3
69.03434	12.7
70.71986	2.3
70.72311	2.2
73.02920	2.1
81.03419	8.3
85.02911	43.6
87.00838	17.0
91.05489	100.0
92.05794	1.5
97.02895	14.9
99.04498	6.3
105.01879	29.5
105.07063	1.6
108.04482	2.8
109.02895	13.7
117.01851	1.5
127.03931	31.9
129.01842	2.0
145.04961	17.3
147.02911	1.9
157.06526	1.8
159.02869	7.6
175.07561	1.5
189.03990	3.3
213.04065	2.1
217.08690	2.5
231.04974	9.6
312.84045	1.5
321.09818	1.9
355.34781	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	374.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39345	0.4
53.03942	0.4
69.92532	0.4
70.06588	0.7
70.89141	0.8
70.89470	0.4
79.05492	2.0
81.03412	0.8
84.08135	1.3
85.02901	0.7
86.09702	2.5
86.30991	0.4
89.03400	0.7
89.03921	9.6
91.05478	0.5
102.40995	0.5
106.02898	0.7
107.04961	3.3
109.05267	0.8
110.06059	3.5
117.03394	11.3
120.04412	0.6
121.02863	1.0
124.03912	1.3
127.03940	4.6
129.10240	0.7
135.04422	22.3
136.04716	0.5
136.06226	0.5
137.04680	1.1
138.05519	2.9
145.02847	15.2
147.04427	0.5
148.03937	8.6
163.03911	100.0
164.04263	0.8
166.05003	8.6
177.05484	1.5
184.06050	1.1
194.04488	2.8
194.08153	0.5
195.02927	0.5
212.05556	35.5
268.08356	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	374.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
65.03954	0.4
69.81162	1.3
70.06574	0.3
79.05499	1.7
82.26583	0.3
86.09693	1.6
89.03924	10.1
89.04475	0.5
95.04934	0.4
97.15044	0.3
107.04977	3.3
109.05246	1.3
110.06053	3.5
117.03391	13.7
120.04475	0.8
121.02851	0.4
127.03901	0.7
135.04428	22.5
137.04730	0.9
138.05493	2.7
140.11371	0.3
145.02856	16.0
148.03938	7.6
148.05986	0.3
163.03914	100.0
164.04242	1.2
166.05005	9.5
177.05432	0.5
184.06039	1.2
186.05374	0.4
194.04523	2.6
195.02975	0.5
199.18147	0.5
202.43657	0.4
212.05553	37.6
213.05806	0.4
227.17546	0.3
357.06339	0.4
374.12198	0.9
393.11212	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	373.2222
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05516	7.1
55.41292	5.0
59.03373	5.4
64.64478	4.7
64.68118	5.4
67.05508	17.8
69.03437	15.6
69.07054	16.9
70.75127	15.8
79.05503	11.8
81.07063	21.6
83.05003	9.7
83.08608	8.2
91.05460	6.2
93.07049	7.2
95.04971	5.8
95.08605	28.8
97.02930	6.2
102.35081	5.1
105.07049	8.5
107.08598	19.6
109.02908	6.7
109.06538	7.4
109.10160	100.0
119.08604	41.4
121.10162	17.5
123.08073	14.2
133.10129	28.3
135.11714	96.0
137.05980	16.4
137.09639	18.9
147.04474	6.4
151.11206	14.6
151.14870	10.4
163.56131	5.3
167.07031	12.3
175.14862	38.5
193.15883	55.4
211.16969	45.9
225.50594	6.4
309.07480	9.0
364.71768	7.1
373.13831	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
54.08224	1.3
55.01875	2.6
55.05498	2.1
57.03423	2.4
61.02920	1.8
65.03947	1.8
67.05495	3.7
69.03430	12.1
69.07069	2.3
70.06596	2.3
71.04958	2.3
71.58840	2.0
73.02898	2.7
78.14346	1.4
79.05489	3.1
81.03416	7.9
81.07045	6.5
83.04942	1.5
83.06116	1.7
84.04492	2.1
84.08134	1.7
85.02913	27.6
85.06522	3.5
86.09709	16.2
87.00830	9.4
88.85504	1.3
91.05483	51.0
93.07047	5.4
95.04969	3.2
95.08599	8.0
97.02908	9.1
99.04472	2.8
102.37454	1.5
103.05441	2.1
103.78264	1.2
105.01866	9.0
105.07010	7.1
107.04921	1.8
107.08587	10.2
108.04475	1.6
109.02859	7.0
109.10148	2.5
115.05439	7.9
117.03402	2.2
119.08572	9.0
121.06436	1.4
121.10171	3.5
123.04406	6.1
125.09626	3.2
127.03931	13.5
130.06538	3.2
131.04929	2.1
131.08563	1.7
132.10210	1.9
133.06474	1.6
133.10132	6.3
135.11676	4.5
137.02336	3.7
137.05945	4.2
145.02922	2.3
145.04970	12.6
146.03609	4.0
147.04407	3.6
151.03897	2.7
157.07625	4.5
157.10068	1.4
159.02884	3.9
159.04408	3.6
160.05180	2.8
161.05994	14.7
163.14806	10.5
165.06947	2.6
169.10098	1.6
174.06750	1.9
175.07536	6.2
175.14830	6.3
177.05466	5.2
177.06995	6.1
179.08542	1.3
179.10680	1.7
181.06587	2.5
181.08484	2.6
181.15891	3.9
187.03912	2.1
189.05486	10.5
193.15820	4.2
194.07263	2.4
195.08070	1.7
197.05904	1.4
197.11684	1.6
201.05396	1.9
203.03249	1.7
205.04903	2.7
205.06548	14.0
210.06761	3.5
211.16939	5.7
217.16032	1.5
220.05170	8.7
221.05960	22.1
222.06677	6.1
223.07545	10.8
223.76720	1.4
231.05002	6.1
233.06013	4.2
234.06757	2.6
235.07523	24.6
236.07858	1.6
237.05618	1.6
237.09058	7.7
238.06285	6.1
239.07143	2.4
242.14864	1.6
243.13513	1.9
248.04672	6.6
249.05490	26.4
250.06171	6.5
251.07057	14.6
253.08583	3.8
263.07043	13.7
265.04935	3.0
265.08539	7.2
266.05740	15.4
267.06357	5.2
268.07199	3.1
271.04239	2.4
271.09616	1.8
276.04178	3.3
277.04938	14.4
278.05603	2.7
279.06522	4.4
281.08087	32.1
282.08719	2.0
283.06998	1.6
283.09695	9.0
291.06531	8.6
293.08203	2.2
294.05249	33.1
295.05750	3.4
299.09134	7.4
309.07571	100.0
310.07959	5.5
311.09106	4.1
319.18970	1.4
327.08563	15.5
329.57019	1.4
337.20117	2.2
355.08234	9.1
373.10571	2.4
373.18323	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	373.1284
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
51.02376	0.9
51.23619	0.6
51.70826	0.6
53.03947	1.4
55.01863	1.5
65.03936	3.0
67.05502	2.6
69.07091	0.6
69.97222	2.7
71.04982	0.6
79.05483	2.1
81.03417	5.5
81.07039	1.0
85.02915	0.8
91.05490	1.6
93.03404	0.7
93.07047	1.4
95.04976	1.4
97.02921	0.6
98.97591	2.4
102.01007	0.6
103.05511	0.9
105.03400	0.6
105.07026	1.0
107.04962	0.9
107.08617	0.6
108.02103	3.3
109.02883	0.9
109.06511	1.2
111.04449	1.5
115.05483	3.4
117.07056	1.1
119.04977	0.8
119.08599	0.9
122.03674	1.1
123.04420	1.1
125.06013	2.4
128.06203	3.4
129.07008	9.1
131.04945	2.0
135.04427	33.1
136.01595	1.1
136.45674	0.6
137.05984	19.4
141.05424	3.5
143.04944	6.7
145.02831	0.7
145.06512	1.5
147.08109	1.1
149.02350	11.3
149.03471	1.1
149.05972	2.2
151.03922	100.0
151.05031	10.0
152.04250	1.3
153.05420	3.0
155.04951	0.9
155.06079	0.9
157.06516	9.7
159.04428	2.7
159.08009	0.7
160.05240	1.5
161.06044	1.1
163.03981	1.3
165.05473	2.1
167.07039	1.7
171.04443	2.2
173.06000	2.5
175.07523	3.2
176.04704	1.0
177.00717	0.6
177.05469	1.5
183.79933	0.6
184.78415	0.7
185.06024	1.4
187.07561	8.6
189.05492	2.0
189.09177	0.9
191.07031	5.0
191.08568	1.2
201.05489	8.1
203.07031	13.7
205.08618	1.3
215.07114	0.8
218.07285	1.0
219.06474	1.7
219.08174	2.4
221.06131	1.1
221.08118	3.1
231.06575	2.2
231.49361	0.7
233.08063	1.8
235.07550	1.7
241.04939	1.1
246.06697	0.9
247.07625	1.2
249.09221	1.4
259.07605	1.5
261.09070	1.2
264.07913	1.5
265.08707	1.1
267.06595	1.2
267.10089	0.7
275.07034	1.1
276.07776	1.1
277.08597	2.4
279.10104	1.8
282.08966	0.7
283.06094	1.9
284.06815	3.8
287.07004	0.8
292.07413	1.1
293.08041	1.7
295.06396	1.2
295.09772	2.2
305.07983	2.4
306.08807	0.7
307.09692	2.3
309.08017	0.9
309.11215	2.9
310.08447	0.9
319.09628	5.0
325.10727	10.5
337.10782	7.7
343.11871	2.1
355.11789	9.2
356.12338	0.7
373.13220	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	373.1132
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.03944	2.7
55.01855	1.3
55.05502	2.1
57.03428	1.4
67.05500	2.6
69.03431	2.5
69.07064	2.3
69.17983	0.8
70.06580	4.9
71.04990	1.1
71.59373	1.1
72.08153	1.9
73.02915	1.4
77.03900	1.6
79.05491	3.9
81.03416	1.6
81.07076	4.6
81.91780	0.8
83.06117	1.9
84.04501	2.6
84.08162	1.3
85.02911	5.9
85.06550	2.8
86.09708	9.1
90.02513	0.8
91.05471	2.4
93.07043	2.4
95.01360	4.2
95.04961	7.0
95.08593	2.4
97.02894	1.4
97.06564	1.6
100.07598	1.3
100.11240	1.3
105.03397	100.0
105.07024	2.4
107.04995	1.4
107.08578	4.8
108.04471	3.7
109.10157	2.7
110.07180	2.0
111.04434	1.1
111.08151	1.1
113.02383	1.6
115.03938	1.0
119.08593	3.4
120.08090	1.6
121.10110	1.5
123.04469	5.1
123.08106	1.0
125.05899	1.0
127.03880	1.0
129.06645	0.9
129.10222	1.2
132.10222	2.2
133.10144	3.4
135.11678	2.8
137.05965	2.5
141.01811	3.5
145.02847	2.9
146.06049	2.9
149.09660	1.4
151.03915	1.7
151.07530	1.1
155.10664	0.9
161.06026	1.5
163.14905	2.0
164.07111	1.0
168.06514	2.8
172.03900	1.5
174.05502	1.8
175.14865	2.2
177.05463	4.4
179.03395	4.0
179.05457	1.3
179.07045	27.5
179.10651	1.8
182.15475	1.6
183.15744	1.3
191.05783	1.8
193.15878	2.8
196.14474	1.5
197.08107	11.7
197.11703	1.3
204.06601	2.7
206.08247	2.0
211.15184	1.5
211.16917	2.3
211.55278	0.9
214.15500	1.7
253.24170	1.3
294.05225	1.1
299.10370	4.6
309.07629	2.3
313.08157	1.1
331.12851	5.3
338.21497	1.6
354.30560	1.0
355.23602	1.8
373.13635	3.4
373.18402	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	373.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35536	1.0
55.01867	1.4
55.05514	7.6
59.74580	0.9
61.41016	0.9
65.03948	1.5
67.05499	2.3
68.99791	1.0
69.03432	3.9
69.07074	1.8
70.06578	1.7
71.58596	1.2
71.58983	1.3
71.70470	1.3
79.05510	1.4
79.76717	0.9
81.03419	2.0
81.07059	1.4
82.06606	1.5
83.04977	2.9
83.08639	4.8
84.08144	2.1
85.02910	2.9
85.06526	1.7
86.09707	5.4
89.03928	1.0
91.05485	10.4
93.07043	1.5
95.04970	2.8
95.08641	1.5
97.02910	2.8
97.06538	1.5
100.07632	3.1
100.11266	14.5
103.05437	1.8
105.01867	1.2
105.07028	4.2
107.04985	1.4
107.08598	2.8
109.02904	1.4
109.06526	1.0
111.04447	8.5
112.07613	2.1
113.13041	1.0
115.05478	8.0
119.04968	1.1
119.08588	2.1
121.02840	0.9
123.04433	7.4
126.09148	2.2
127.03933	1.9
128.07071	4.9
131.04945	2.2
133.06488	2.5
133.10144	1.5
133.18581	1.1
135.04463	1.2
137.02313	5.8
137.05971	6.7
139.03856	1.3
140.07059	2.2
143.04947	3.0
144.05627	1.1
145.04939	1.6
145.06537	1.3
146.03668	5.6
147.04440	3.3
147.11737	1.3
151.03893	2.1
159.04459	4.6
160.05212	3.6
161.05966	18.7
163.04007	1.1
165.07037	3.7
167.07063	1.5
171.55540	1.1
173.13293	1.9
174.06808	2.6
175.07544	5.2
176.06282	1.9
177.01973	1.2
177.05519	2.3
177.06993	6.4
179.03452	1.8
181.06548	2.3
182.15411	22.2
187.03893	4.0
189.05458	12.9
192.05801	2.0
193.06494	3.1
194.07304	3.1
203.03333	2.0
205.01370	1.8
205.04904	2.5
205.06526	15.2
207.08142	1.1
210.06816	3.5
210.14888	27.4
211.07541	1.9
211.09409	2.6
217.05016	1.4
220.05188	10.4
221.05971	20.6
222.06662	5.6
223.07487	12.6
227.17557	2.7
228.15935	8.9
231.03021	1.3
233.05957	5.0
235.07532	21.5
237.05496	3.5
237.09145	4.1
238.06294	6.7
239.07164	3.4
240.07803	1.2
245.18625	1.7
248.04706	7.8
249.05489	28.2
250.06158	5.3
251.07037	16.4
252.08022	1.6
253.08644	4.2
263.07095	16.2
265.05048	3.5
265.08606	8.6
266.05710	19.8
267.06628	5.9
267.11276	1.3
268.07355	3.5
269.09198	1.7
271.09543	2.5
276.04251	4.3
277.04956	15.1
278.05591	2.7
279.06451	6.3
280.07321	2.0
281.08096	29.3
282.08633	1.9
283.06332	1.8
283.09549	10.8
291.06461	9.2
293.08090	3.0
294.05219	29.7
295.05847	3.0
299.09140	11.7
308.67844	1.1
309.07581	100.0
310.08072	3.2
311.09174	5.6
313.11743	3.8
319.13998	1.1
327.08615	15.3
337.21295	11.9
355.08298	10.3
355.22302	10.0
373.09390	2.6
373.14020	10.8
373.18350	2.1
373.23297	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	372.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
53.68015	0.6
55.01867	0.8
55.05515	0.9
60.22373	0.5
65.03950	2.9
67.05487	0.7
69.03437	6.4
70.06592	1.6
70.56324	1.2
79.05528	0.6
81.03424	1.5
81.07053	0.7
85.02910	1.1
86.09705	1.2
87.00824	1.3
91.05489	100.0
92.05821	1.6
93.07066	0.6
95.05014	0.9
95.08621	0.8
97.02901	23.8
98.21341	0.6
103.05471	0.7
105.01881	1.5
105.03366	1.2
105.07039	1.8
108.08212	0.6
111.04453	0.7
114.10065	0.5
115.05447	0.6
117.07050	0.8
119.08636	1.6
119.21278	0.6
119.37857	0.5
121.10223	0.7
125.02384	0.9
129.07034	0.7
131.04959	0.8
131.08601	1.2
133.06537	0.9
133.10217	0.7
141.07011	1.5
143.03377	0.9
145.06522	1.8
159.08090	1.8
167.07146	0.9
169.06467	2.6
171.11736	0.5
177.05524	0.9
187.07550	5.5
215.07072	1.8
220.81265	0.6
253.20605	0.5
269.16440	0.5
313.11896	0.9
354.13715	0.6
373.14005	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	373.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05185	1.0
51.65195	0.9
52.13986	1.0
52.66521	1.2
54.28895	1.1
55.01871	1.4
55.05514	14.3
57.07082	2.2
59.84957	1.0
61.05308	1.1
61.91514	1.1
67.05504	3.3
69.03428	4.5
69.07072	2.8
70.06574	3.7
71.04982	1.0
71.58788	1.3
79.05498	2.6
81.03407	1.9
81.07063	3.3
82.06570	2.7
83.04992	5.4
83.08617	10.6
84.08144	2.9
85.02481	1.0
85.02911	5.9
85.06546	2.1
85.90672	1.0
86.09724	5.4
86.51847	1.1
91.05478	11.7
92.05778	1.3
93.07058	1.7
95.04995	1.6
95.08578	1.4
97.02901	2.5
98.09708	2.0
100.07626	12.1
100.11263	35.1
101.06004	2.8
103.05466	2.5
105.01849	1.3
105.07040	4.1
107.04974	1.5
107.08604	2.7
109.02929	2.5
109.06582	1.3
109.10172	1.4
111.04451	17.3
112.07600	4.2
115.05466	8.6
116.12009	1.0
117.03394	1.4
119.04892	1.8
121.49211	1.1
123.04435	8.6
125.05988	1.3
126.09156	3.8
127.03968	2.3
128.06311	1.6
128.07103	13.5
129.05486	2.5
131.04971	3.5
131.08571	1.8
133.06447	1.4
133.10201	1.6
137.02348	4.4
137.05960	7.2
140.07051	4.8
143.04945	2.4
145.05043	2.1
146.03624	4.1
147.04410	4.5
147.11708	1.6
149.47791	0.9
151.03896	2.8
153.05560	1.3
157.72946	1.2
159.04422	5.6
160.05183	2.5
161.05981	20.0
163.03946	1.5
163.07608	1.6
165.06949	2.5
167.03438	2.4
167.07100	1.9
174.06805	3.0
175.07562	5.6
177.05455	3.0
177.07001	5.1
181.06491	1.4
182.07198	1.2
182.15425	45.4
187.03914	3.6
189.05504	13.8
189.07065	1.6
192.05675	1.6
193.06490	2.3
193.14745	1.2
194.07275	1.6
195.02968	1.5
197.05945	1.1
199.07605	1.3
203.03458	1.6
205.01332	2.5
205.04916	3.0
205.06526	14.4
210.06758	2.5
210.14909	59.1
211.07594	1.7
211.09413	5.3
213.10185	1.5
217.04953	1.8
220.05252	11.4
221.04028	1.5
221.06015	24.2
222.06754	4.8
223.02432	2.7
223.07567	10.9
227.17622	3.6
228.16002	22.1
231.02890	2.7
231.05011	1.4
233.06033	6.4
234.06740	4.0
235.07558	20.5
237.05429	3.5
237.09160	4.6
238.06190	6.6
239.07091	3.2
239.11732	1.3
240.07762	1.1
245.18542	3.6
247.10179	1.4
248.04617	6.0
249.05489	25.4
250.06256	6.0
251.07010	11.4
252.07863	1.5
253.08766	3.8
261.05649	2.6
263.07150	13.0
263.97638	1.1
265.05182	2.9
265.08621	6.7
266.05780	15.3
267.06540	5.8
267.11328	2.3
268.07233	3.4
271.09671	2.2
276.04172	3.1
277.04926	10.4
277.11758	1.1
278.05728	2.5
279.06522	4.8
280.07260	1.3
281.08102	29.6
282.08777	2.7
283.09723	9.5
291.06522	7.9
293.08124	3.1
294.05228	28.6
295.05905	3.7
298.08517	1.4
299.09189	9.9
309.07602	100.0
310.07867	4.1
311.09235	4.7
313.11768	5.8
327.08627	15.3
337.21237	28.5
355.08151	12.3
355.22311	23.7
373.09708	1.9
373.14059	16.3
373.23166	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	371.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
54.43846	1.5
55.05518	13.0
57.07085	10.7
60.87594	1.6
67.05507	20.8
69.06721	2.6
69.07074	35.9
69.45226	5.8
69.45651	6.8
71.56893	1.8
79.05500	18.4
81.07066	67.2
83.05003	1.9
83.08611	11.6
85.06494	1.5
86.06091	1.8
91.05473	17.5
93.07054	62.6
95.04984	4.4
95.08616	100.0
97.06558	1.9
97.10175	5.3
103.05449	1.5
105.07037	31.6
107.08605	67.9
109.06497	2.2
109.10165	36.3
111.04428	2.0
111.08075	1.9
111.11723	4.2
117.07029	4.9
119.08587	56.3
121.06547	2.0
121.10156	51.4
123.08091	3.2
123.11729	35.1
126.28352	1.6
129.07053	4.4
131.08588	15.0
133.10144	35.1
135.08060	7.0
135.11710	50.2
137.13268	52.9
138.13588	1.8
139.07550	5.4
143.08575	5.3
145.10130	17.4
147.11705	27.0
149.13272	52.9
151.14819	6.8
153.09163	2.9
154.89824	1.6
157.10126	8.5
159.11723	15.5
161.09731	2.2
161.13263	23.7
163.14833	35.7
165.09181	2.7
169.10185	2.6
171.11739	6.3
173.13264	15.8
175.14839	36.5
177.14957	3.0
177.16408	32.4
185.13293	4.2
187.14847	18.8
189.16397	71.9
191.17978	3.5
193.12340	2.0
193.15932	2.4
199.14783	3.8
201.16409	30.6
203.18011	9.0
207.13741	1.7
207.17424	3.5
209.13354	1.7
209.15331	1.9
213.16418	4.5
215.17982	15.8
217.15860	2.4
217.19589	5.8
219.13818	2.1
221.15359	4.0
227.17969	5.9
229.19466	7.7
233.15445	4.4
235.16911	9.5
241.19531	7.8
243.21158	6.6
247.16888	9.1
249.18634	2.2
255.21176	5.2
261.18546	7.8
269.22711	5.4
273.18555	4.3
275.20132	2.1
283.24219	6.6
287.20081	3.6
301.21582	2.0
315.23297	3.1
325.28897	87.0
326.29239	2.9
353.24692	1.9
353.28430	3.8
371.26077	3.3
371.29517	64.5
372.29861	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	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03925	1.3
55.01863	1.5
55.05508	4.9
57.03431	2.0
57.07077	2.8
59.04996	2.4
67.05525	4.4
69.03436	19.2
69.07074	5.5
70.06596	7.6
70.41806	3.3
71.04987	2.3
72.08146	2.4
73.02895	1.6
73.04749	2.2
79.05504	4.6
81.03429	4.6
81.07057	5.9
83.04991	10.8
83.08613	1.9
84.08140	1.8
85.02913	12.0
85.06544	3.8
86.09694	2.9
87.04459	1.7
88.97903	0.7
89.06021	1.5
91.05377	1.6
91.05816	3.6
93.07065	5.3
95.04948	1.7
95.08595	9.3
97.02892	3.6
97.06536	1.9
99.04448	2.2
99.08128	1.8
100.07623	1.6
100.11247	3.1
101.03493	7.0
103.03948	8.0
105.07036	6.3
106.02883	1.3
107.04961	2.5
107.08599	16.1
107.09804	0.7
109.02883	2.4
109.06522	8.7
109.10158	3.7
111.04456	2.5
111.08086	10.4
112.08736	1.0
114.52308	0.8
115.05460	0.8
115.08688	1.2
116.06281	0.9
116.07087	2.4
117.06983	1.1
119.08576	5.3
121.02853	2.5
121.06490	3.0
121.10146	10.9
123.04422	2.0
123.08063	4.8
123.11702	3.4
124.03934	2.8
125.08745	1.8
125.09641	28.3
127.03942	5.6
128.07088	1.0
129.05438	0.9
130.06522	3.3
131.06900	1.8
131.08571	7.8
132.04469	2.2
133.10136	6.6
135.08057	20.9
135.11697	6.2
137.06007	2.8
137.09583	1.4
143.08540	1.9
145.04950	1.1
145.06500	0.8
145.10114	4.4
147.04385	0.9
147.06564	1.7
147.11668	3.1
149.09627	13.9
149.13237	5.0
150.10391	2.9
151.07509	1.2
151.11205	2.8
153.09143	9.1
153.58099	0.8
158.09305	1.2
158.10887	4.1
159.08072	1.0
159.11635	1.0
161.09612	2.0
163.11195	7.3
163.14813	5.0
165.12732	2.5
167.07088	2.3
167.10660	3.1
169.09750	3.7
169.66133	0.8
173.13278	25.1
175.03857	1.0
176.07037	1.1
176.11984	2.8
177.05664	0.9
177.07387	1.2
182.15407	3.4
189.08975	1.0
191.14319	100.0
192.06488	1.4
192.14622	2.7
209.15375	100.0
210.15047	3.7
217.08574	1.7
226.68216	0.8
250.06874	1.0
259.40448	0.8
268.08090	1.2
268.97736	2.0
285.00964	2.5
337.21390	1.9
353.19598	3.1
354.23904	2.2
355.07025	1.6
371.11002	16.2
371.16507	3.3
371.20566	25.3
371.26031	1.5
372.20975	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	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03951	1.9
55.01873	2.1
55.05511	6.1
57.03432	3.7
67.05495	4.1
69.03445	9.4
69.07062	7.9
70.06596	2.3
70.51205	5.6
79.05497	6.8
81.03429	5.1
81.07050	9.9
81.64584	1.7
83.04983	5.0
83.08618	2.6
84.08160	4.0
85.02911	21.6
88.63110	1.7
91.05466	19.5
93.07043	13.3
95.04969	5.3
95.08611	11.9
97.02892	8.4
97.06531	2.7
98.97571	4.1
105.07039	26.5
107.04975	7.1
107.08605	26.9
109.02862	4.5
109.06537	5.3
109.10175	8.0
111.04426	2.3
113.06010	2.3
115.05473	2.4
116.06222	2.6
117.07064	5.0
119.08595	24.6
121.06527	4.5
121.10156	16.3
123.04498	2.4
123.08060	3.5
125.06046	1.8
125.09659	1.7
127.03897	5.1
128.06259	2.5
129.05449	2.3
129.07011	6.0
130.07901	2.0
130.70895	1.6
131.08577	83.4
133.10162	18.8
135.08086	3.8
135.11699	5.8
141.41566	2.0
143.08595	11.6
144.09331	4.9
145.04854	1.8
145.06491	1.9
145.10133	24.5
147.04410	3.3
147.08041	2.0
147.11690	15.3
149.09650	8.4
149.13245	16.3
157.10255	2.4
158.10965	15.4
159.08147	1.7
159.11719	4.5
161.06012	2.3
161.09619	3.1
161.13300	11.6
163.14867	9.4
165.12730	2.1
167.07065	4.9
171.11734	5.2
171.85399	1.7
173.13283	100.0
174.13594	2.9
175.14822	6.7
177.12743	2.3
182.12399	1.7
185.13261	2.4
188.59541	1.7
189.12723	3.0
191.07091	2.5
191.14326	98.5
193.15897	2.5
203.08246	1.7
203.14391	5.1
209.15419	20.7
221.15370	12.3
228.15990	2.1
285.01251	2.0
294.10269	1.8
299.16379	2.1
317.17447	6.9
335.18323	3.2
353.19528	4.9
371.16614	3.1
371.20789	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
66.24682	10.7
69.03780	10.6
70.72871	28.7
83.76025	11.6
91.05488	11.8
93.07066	13.5
98.21596	10.0
107.08582	12.0
112.62479	9.9
114.52326	10.7
121.10163	19.3
124.05145	11.1
133.10138	100.0
135.08052	14.3
137.05991	62.3
137.09630	52.2
149.13274	20.4
159.08041	11.6
163.09392	9.8
167.07050	29.5
187.07585	12.2
191.14317	45.1
205.08710	15.4
209.15416	10.7
217.08580	48.8
239.07138	11.2
247.09778	12.2
249.09125	24.2
252.07877	11.5
261.09119	15.4
285.07605	34.7
293.11655	13.8
300.10031	19.1
301.10907	14.3
309.11264	13.4
321.11261	14.9
323.09277	11.5
343.61484	9.7
353.13824	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35219	3.1
55.05520	4.1
61.96146	2.9
63.49030	3.2
66.10378	3.0
67.05505	3.7
69.02845	3.3
69.50276	21.8
71.04981	4.3
79.05494	13.8
81.03423	3.6
81.07032	4.1
89.71831	3.0
91.05460	6.8
93.02888	2.9
94.04155	3.6
95.04995	4.1
96.98631	3.3
97.06599	3.6
104.82098	2.8
105.07028	5.2
107.04971	15.4
115.05450	7.5
122.03709	8.0
124.05202	4.6
128.06212	5.6
129.07028	12.1
131.04904	5.6
131.08562	14.5
133.10068	2.9
137.05994	100.0
139.50388	3.8
144.05728	10.9
145.06459	5.0
147.04411	4.5
149.05989	4.3
151.03973	3.3
151.07512	5.8
153.89398	2.9
156.05725	23.9
157.06488	4.9
159.08081	19.6
160.05162	5.4
163.03915	4.7
167.07054	52.5
172.05171	6.6
173.05894	5.4
174.06871	7.1
175.07526	12.9
177.05496	11.0
179.06990	3.9
184.05141	5.1
187.07587	22.6
189.07129	6.5
189.08907	6.0
190.07767	3.2
191.08719	4.4
197.06023	4.7
202.06252	10.8
203.06856	5.3
203.08592	8.0
205.06607	6.3
205.08453	6.8
206.07228	6.2
206.83650	3.2
211.07597	4.8
212.72797	3.4
215.08690	4.9
217.08611	75.5
218.07272	12.7
219.08061	7.2
219.10109	6.0
221.09653	10.5
223.07533	3.7
226.06212	7.2
231.08107	7.3
232.08992	3.9
233.09579	17.2
234.06802	10.2
235.07553	16.5
239.07068	23.9
240.07773	3.7
241.08594	23.5
242.05632	5.9
246.06776	7.5
247.07498	6.2
247.09700	31.1
248.08356	7.2
249.09148	22.5
250.06081	3.5
250.09937	7.3
251.07053	10.7
252.07768	8.5
255.06496	4.0
257.08200	4.1
259.88925	3.3
260.08334	5.0
261.09097	28.0
262.06210	7.2
263.07169	15.4
264.07413	3.9
265.08719	3.4
266.09393	7.4
269.08133	11.6
271.06082	6.3
277.08609	19.8
278.09430	19.8
279.06442	4.2
279.10330	5.1
280.07199	5.3
281.11862	8.3
283.09711	5.6
285.07611	38.7
286.08243	7.9
289.08493	11.3
291.09955	4.3
293.08487	5.0
293.11676	24.9
295.09653	6.0
300.09924	47.3
301.10678	22.5
306.08926	11.0
307.09512	9.0
309.11200	19.7
311.08923	4.5
313.10709	12.2
321.11264	40.6
323.09152	9.4
326.11487	15.1
327.12064	3.9
338.11472	10.2
341.13797	14.6
353.09689	5.8
353.13824	66.0
354.13849	3.9
371.15143	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52492	2.3
69.74908	2.4
70.01004	14.0
71.04979	2.4
78.34008	2.3
79.05486	10.2
81.07063	3.9
91.05463	8.7
94.04179	5.4
95.04992	3.1
107.04951	14.9
115.05431	6.7
115.56055	2.8
119.05051	2.6
122.03637	7.9
123.04476	2.9
124.05177	3.9
128.06215	6.5
129.06996	14.1
131.04930	4.9
131.08569	7.1
133.10127	5.6
135.04416	4.7
137.05981	100.0
137.09552	2.9
138.06290	2.9
141.06976	6.8
144.05701	9.6
149.06020	4.0
151.03874	8.9
151.07516	4.2
156.05721	21.2
156.35834	2.7
157.06479	9.8
158.07291	3.2
159.08002	17.1
160.05228	3.1
161.05904	2.9
162.14049	2.6
167.04933	2.7
167.07033	38.8
169.06500	4.4
172.05161	4.7
174.06770	4.6
175.07491	11.6
177.05496	8.2
186.06830	7.4
187.07492	15.9
189.07037	5.7
189.09068	6.8
190.07816	4.8
191.08517	4.8
191.14410	4.2
193.10130	3.3
202.06165	5.0
202.07919	4.1
203.08560	7.3
205.06448	3.8
205.08609	5.4
206.07310	6.6
207.08176	3.7
211.07574	4.1
215.06934	6.1
215.08743	5.0
217.06555	4.9
217.08611	67.6
218.07184	13.5
219.08032	7.4
219.09993	4.9
221.09666	7.6
223.07561	5.0
224.04680	3.4
226.06302	6.7
231.08133	6.3
232.08836	5.0
233.09659	15.2
234.06773	12.7
235.07536	12.1
237.09114	3.7
239.07036	16.1
241.08656	18.1
246.06728	7.3
247.07561	6.4
247.09657	24.5
248.08255	6.5
249.09142	21.4
251.06944	6.3
252.07756	10.5
255.06313	3.0
257.08005	6.5
260.08273	5.6
261.09109	30.7
262.06277	3.4
263.07098	11.5
263.10721	4.4
264.07840	3.6
265.08734	5.5
266.09296	6.5
269.08047	6.6
271.05920	5.8
276.07788	4.1
277.08621	16.1
278.09470	15.9
279.10077	4.5
280.07245	4.9
281.11722	6.2
285.07593	46.2
286.08441	4.4
289.08600	9.9
291.10080	4.1
293.08823	3.8
293.11676	20.3
294.08890	6.9
295.09714	6.1
298.08279	4.5
300.09903	45.6
301.10645	17.1
306.08908	5.6
307.09567	9.2
309.11151	19.4
313.10690	10.7
321.11295	35.2
323.08990	5.2
326.11606	14.9
327.14450	23.8
338.11478	6.1
341.14008	6.6
353.13852	56.2
371.13040	84.7
372.13553	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	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76294	2.5
60.78487	2.5
60.86518	2.2
63.47831	2.6
65.03957	2.7
67.05519	4.0
69.03438	5.9
69.81991	3.8
69.82396	9.7
78.04726	2.7
79.05506	12.7
81.03416	3.3
81.07055	4.1
84.08150	21.5
84.08624	3.2
85.02940	5.5
90.49680	2.1
91.05032	2.2
91.05472	11.7
93.07071	4.5
94.04182	4.2
95.04957	5.8
95.08620	4.8
97.02926	3.7
99.61866	2.7
105.07059	4.1
107.04954	25.0
107.08596	3.3
109.06528	6.7
115.05472	5.9
117.07021	2.7
119.04950	2.9
121.06548	2.7
121.10194	2.6
122.03658	11.4
123.04432	4.2
124.05206	3.4
128.06244	4.7
129.06996	15.3
131.04950	3.5
131.08562	14.4
132.05745	2.8
133.06448	2.4
133.10146	5.0
137.05989	100.0
137.35611	2.3
141.07007	4.4
143.08575	3.0
144.05719	8.2
145.06512	5.8
147.04427	6.0
151.03946	3.3
151.07536	4.7
151.11188	3.8
156.05716	27.8
157.06430	6.4
158.07350	3.5
159.08066	20.1
160.05225	2.7
161.05992	3.6
163.03952	3.3
163.07555	3.3
165.05501	3.8
165.12737	6.1
167.07059	54.0
169.06502	3.2
172.05186	4.8
173.05997	3.1
174.06824	5.7
175.07535	14.6
177.05551	7.1
178.07756	3.2
179.08620	3.0
181.06642	4.1
181.08508	3.3
184.05191	4.1
185.06036	2.9
186.06836	3.7
187.07538	23.2
189.07115	4.3
189.09160	8.0
190.07764	4.9
191.07066	4.1
191.08621	3.5
191.14258	4.0
193.10097	2.7
197.05846	2.9
198.06807	4.2
199.07585	3.8
202.06274	10.5
202.07895	3.3
203.08655	13.3
205.06554	4.4
205.08577	7.9
205.10301	3.9
206.07277	6.4
207.08221	3.7
208.05113	2.2
209.15390	15.2
211.07579	3.7
215.06932	4.4
215.08769	4.2
217.06537	5.1
217.08607	75.9
218.07295	13.1
219.08078	5.7
219.10118	2.3
221.09636	9.3
223.07442	3.7
224.04778	2.7
224.08467	2.9
226.06361	7.3
227.07018	3.4
231.08073	9.4
232.08897	7.7
233.09644	14.9
234.06711	6.7
235.07530	14.6
236.08261	2.3
237.05540	3.2
238.09892	5.4
239.06989	19.6
241.08578	21.3
243.08263	3.1
246.06830	4.4
247.07437	5.4
247.09656	31.1
248.08292	5.3
249.09122	24.4
250.09930	5.2
251.07170	6.9
251.10567	4.6
252.07919	10.4
255.06589	5.1
257.07999	3.5
259.07620	2.6
260.08566	3.8
261.09125	28.8
262.06232	4.6
262.09787	4.5
263.07040	16.5
263.10730	4.2
264.07782	2.7
265.05167	2.8
265.08755	7.3
266.09518	3.9
267.10144	3.6
269.08145	12.1
271.06018	8.2
277.08664	20.1
278.09369	13.2
278.48203	2.3
279.06775	2.8
279.10147	5.5
280.07352	5.2
281.11798	10.7
283.09686	3.5
285.07620	49.0
286.08237	4.0
289.08630	8.9
290.09460	3.0
291.10223	4.5
292.11087	3.6
293.08478	4.3
293.11676	19.2
294.09033	3.7
295.09747	4.1
298.08447	3.2
300.09946	45.3
301.10730	20.1
306.08826	9.8
307.09628	10.6
309.11304	21.4
311.09094	3.3
313.10660	14.2
321.11221	36.5
322.11847	4.4
323.09207	7.2
326.11496	17.2
327.12051	3.5
333.00601	2.5
338.11557	9.3
339.12347	2.7
341.13919	13.8
345.34128	2.4
353.13892	56.0
371.15076	29.8
394.86298	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	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91473	4.2
52.41666	5.6
52.48786	4.8
55.05516	6.7
57.03429	9.7
57.07082	56.4
62.06066	6.0
65.00253	5.1
65.83300	5.4
66.65534	5.3
67.05495	5.9
69.03432	18.8
69.07066	8.0
69.44446	45.6
70.06588	35.0
71.05002	6.9
72.08138	5.9
73.02919	5.7
79.05499	9.5
81.03415	16.7
82.50258	5.0
84.08146	12.4
85.02908	33.3
85.06546	75.9
86.09706	8.3
91.05473	15.9
95.01344	7.2
95.04968	9.2
97.02887	12.1
98.06079	5.7
99.04395	5.1
105.01889	5.9
105.06985	4.5
107.04939	9.0
107.08574	5.7
108.42878	5.0
109.02883	7.1
113.02380	5.4
117.07078	5.7
119.08527	5.2
127.03935	13.3
136.06177	8.3
137.05994	7.8
141.01831	12.1
145.04970	6.5
149.05948	5.4
159.10170	100.0
166.08635	13.1
177.11234	62.4
208.09737	5.6
231.04987	5.3
282.09732	8.7
329.32529	5.8
353.14099	7.2
370.15289	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	371.1493
Annotation	Fragransol D
Peak:m/z	Relative Intensity
65.03923	3.2
71.04986	4.1
71.58591	2.6
79.05491	9.7
81.07057	6.2
81.59329	2.8
83.99874	3.0
85.02920	3.0
86.09668	2.9
89.54530	3.1
91.05463	11.0
93.07053	4.8
95.04970	6.0
103.05444	4.0
105.07050	4.2
107.04967	16.8
107.08632	3.6
109.06509	4.6
115.05435	3.4
116.06274	4.2
117.07051	3.4
119.08569	4.9
121.06535	3.2
122.03659	7.4
128.06187	4.8
129.07013	15.0
131.04926	5.1
131.08559	11.1
132.05667	2.9
135.04361	3.2
137.05986	100.0
141.06970	3.8
143.08583	2.9
144.05675	12.1
145.06403	4.3
147.06563	3.3
149.06000	5.3
151.07565	3.3
156.05710	19.1
157.06465	6.1
158.07349	2.9
159.08078	19.1
161.05896	4.4
162.05493	3.3
163.03926	5.3
167.07047	45.3
172.05171	6.1
173.05957	4.1
174.06787	4.3
175.07547	9.6
177.05498	5.7
178.07780	5.1
181.05109	5.2
181.06549	5.1
186.06798	3.7
187.07567	23.9
189.07094	3.0
189.09132	9.1
190.07796	6.1
191.07031	4.9
191.08675	3.4
193.10175	6.0
194.28101	3.4
198.06879	3.6
202.06224	6.7
202.07849	3.9
203.08630	6.4
205.06825	3.3
205.08612	7.0
205.10233	4.4
206.07277	7.4
207.08061	3.6
210.06975	3.0
211.07562	5.2
217.08618	64.2
218.07326	13.3
218.09126	3.9
219.08066	6.7
219.10149	3.4
221.09669	6.2
226.06146	4.8
231.08047	9.6
232.08917	5.8
233.05867	3.6
233.09673	17.7
234.06732	11.3
235.07567	9.7
237.05391	3.6
237.10278	7.4
238.09862	3.3
239.06908	18.3
241.08582	14.3
246.06911	7.1
247.07640	4.7
247.09697	22.8
249.09126	20.8
250.09869	4.5
252.07861	5.8
257.08121	6.1
259.07544	4.7
260.08459	4.0
261.09113	25.1
262.06131	3.0
262.09857	3.4
263.07095	12.4
263.10669	4.6
265.09592	9.4
266.09305	8.1
267.11111	3.5
269.08136	7.3
271.05978	4.9
275.07187	2.9
275.10672	3.8
276.07632	3.3
277.08646	19.7
278.09406	13.6
279.06735	4.8
279.10220	4.9
280.07358	7.5
281.11713	9.4
285.07608	39.5
289.08603	7.0
291.10068	6.2
293.08749	8.1
293.11792	18.3
295.09335	3.5
298.08249	4.1
300.09970	47.2
301.10748	15.4
306.08896	9.9
307.09592	7.3
308.06815	4.3
309.11154	21.6
311.09863	10.3
313.10779	11.9
321.11307	33.1
322.11960	3.6
323.09137	6.5
326.11578	18.1
327.12259	3.1
338.11600	6.1
339.12500	3.8
341.13837	8.7
353.10443	3.8
353.13962	50.0
371.11594	9.9
371.15158	23.2
373.78833	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32778	5.2
53.03935	6.1
55.01882	9.1
55.05518	42.5
56.21372	5.8
57.03448	43.1
57.07071	13.1
57.35915	5.3
60.60581	5.1
67.05511	100.0
69.07074	35.5
70.06584	6.5
70.66158	5.3
77.27908	6.1
79.05496	79.1
81.07067	89.4
83.08626	27.6
85.06542	17.3
85.10206	6.0
91.05491	57.3
93.07046	80.2
94.20967	5.1
95.04948	7.9
95.08614	74.6
97.06550	15.0
97.10206	10.8
105.07043	49.1
107.08609	82.1
109.06509	11.7
109.10170	50.2
111.08110	5.4
117.07042	16.8
119.08593	44.1
121.10166	59.3
123.08089	18.0
123.11725	9.4
125.09612	10.0
131.08557	28.3
133.10190	34.8
135.11673	46.3
137.09721	8.2
143.08548	10.7
145.10098	32.0
147.11713	47.8
149.13300	22.5
151.11223	12.9
157.10159	8.9
159.11742	23.2
161.13297	16.5
171.11708	15.9
173.13231	11.3
175.14847	8.3
179.14281	6.9
182.88536	6.2
185.13312	10.8
187.14847	29.9
193.05029	11.0
201.16400	5.8
203.17953	6.6
205.15892	19.1
221.19067	15.5
241.19557	12.5
246.67044	7.2
259.20554	43.4
277.21661	78.3
315.82626	6.1
346.99789	6.3
351.22488	4.5
351.25400	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36288	6.4
55.05512	36.4
57.03439	46.6
67.05508	92.4
69.07066	26.6
71.04993	13.0
71.59266	6.4
72.36009	5.0
79.05495	65.6
81.07063	94.1
83.04979	8.4
83.08617	21.2
85.06557	10.5
85.89699	4.6
91.05479	52.0
93.07053	100.0
95.05001	13.8
95.08614	93.0
95.09170	9.5
97.06541	15.7
97.10168	14.2
99.08132	10.2
105.07040	51.8
107.08604	73.7
109.06542	11.3
109.10159	37.2
111.08077	12.0
117.07040	11.7
119.08596	48.9
121.10146	59.2
123.08108	15.1
123.11743	8.9
125.09615	7.8
131.07048	13.7
131.08569	32.6
133.10168	40.9
135.11720	35.1
135.55452	5.4
137.09663	12.2
139.11198	6.6
143.08563	8.7
145.10091	26.4
147.11723	31.5
149.13303	19.4
151.11223	6.0
159.11707	21.2
161.13275	20.5
171.11757	7.2
173.13281	16.1
185.13264	8.0
185.88016	5.7
187.14862	26.1
193.62500	6.2
205.15930	18.6
221.19026	12.7
231.21021	6.0
241.19589	10.7
259.20578	33.7
277.21622	71.2
295.22733	9.6
309.03543	5.4
341.27335	6.1
351.25443	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30793	5.2
55.05496	5.7
69.03442	55.9
69.07072	7.5
69.51573	31.2
69.51991	12.5
77.88377	4.5
79.05499	15.8
81.03410	7.9
81.07069	7.3
83.04984	13.5
84.08152	5.8
85.02904	29.3
91.05470	15.5
93.07098	5.6
95.08612	14.9
97.02910	14.3
98.21447	9.6
105.07043	29.1
107.08586	15.6
109.02923	7.0
109.06553	7.9
119.08585	13.9
121.02843	4.9
121.06512	10.2
121.10154	7.6
123.08080	30.4
127.03896	7.9
131.08611	7.2
131.52629	4.7
133.06500	100.0
133.10130	39.2
135.11737	6.4
137.09628	15.7
145.10176	5.5
147.04497	7.7
147.08025	9.4
147.11700	7.9
149.09573	9.2
151.07558	28.5
158.10889	6.7
159.08038	5.9
161.09630	8.9
161.13300	13.2
163.11195	20.3
173.13246	6.2
174.10460	5.9
175.07504	4.5
176.22769	4.9
189.12750	68.5
191.14287	47.5
207.06621	12.2
207.13809	88.8
215.14339	6.4
243.13896	13.9
265.15930	7.7
337.10776	6.0
369.13385	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	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50491	6.1
55.05504	13.0
57.03424	5.7
69.03434	43.9
69.83289	6.1
71.05003	7.4
71.12809	11.9
73.08038	5.8
73.77744	5.2
79.05482	10.6
79.45194	5.2
81.07066	7.8
83.04977	18.4
84.48767	5.5
85.02910	36.4
91.05502	14.2
92.84122	6.6
93.07025	12.5
95.04980	10.9
97.02853	11.1
97.06551	11.2
104.67168	5.9
105.07030	11.9
107.08594	22.9
109.06534	7.3
117.07066	5.9
119.08603	25.4
121.06518	17.3
121.10139	14.7
123.08056	34.5
127.03902	6.6
131.08565	16.2
133.06512	84.8
133.10155	18.8
135.08084	8.7
137.09663	9.1
147.08052	6.5
147.11661	13.5
149.09616	24.4
151.07541	25.6
151.11259	29.7
156.09386	8.4
159.08046	13.6
161.09605	10.7
161.13313	8.9
163.11185	22.2
167.07004	5.9
171.11737	6.5
174.10454	31.0
189.12747	85.3
191.14310	44.2
207.13818	100.0
243.13951	7.8
369.19318	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	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24219	6.1
51.97264	7.0
52.00805	6.8
53.03963	9.9
55.01875	17.9
55.05507	14.4
55.51436	6.5
57.03433	10.5
59.15368	6.7
61.02935	14.7
67.05511	20.6
69.03431	48.9
69.07071	14.1
69.65618	33.7
69.66037	14.1
70.06588	17.9
71.04991	15.7
72.08170	11.5
73.02898	7.4
79.05495	26.7
81.03422	51.3
81.07067	15.4
83.04980	22.7
84.04489	8.5
85.02912	70.4
86.09713	11.1
91.05482	79.9
92.58858	6.1
93.07059	36.6
95.04961	49.2
95.08591	10.5
97.02869	23.2
97.06569	12.7
98.21461	16.2
99.04444	17.2
103.05446	17.4
105.07025	62.0
106.04213	13.0
107.04980	14.0
107.08585	24.0
109.02892	24.9
109.06528	20.1
109.10168	10.5
117.07001	19.9
118.04185	8.9
118.06571	9.9
119.04945	33.1
119.08567	52.0
121.02872	29.3
121.06509	31.4
121.10146	21.7
123.04433	18.1
123.08060	16.4
124.03966	7.7
127.03911	28.4
127.87382	6.6
129.07071	7.1
130.06557	70.7
131.04927	18.9
131.08582	23.5
132.05757	11.4
133.06514	36.9
133.10133	48.0
135.08070	23.7
136.07568	72.6
137.05978	15.4
137.09618	14.7
143.08635	12.5
144.08090	7.9
145.04903	11.3
145.06520	8.4
145.10182	15.2
146.06020	18.0
147.04411	33.3
147.08102	18.9
147.11740	11.6
149.06004	25.3
149.09630	95.4
151.11177	67.4
153.05487	19.4
156.09244	8.0
159.08063	21.1
161.05995	20.5
161.09642	18.7
163.07568	8.3
163.11153	35.1
165.09163	7.4
167.07098	13.2
171.11636	15.7
174.10417	33.7
175.03943	39.5
177.05466	56.3
179.07071	17.3
179.10696	20.3
188.07133	18.6
189.09076	12.3
189.12750	83.7
191.10681	13.4
191.14293	82.2
192.07915	8.6
205.12247	15.6
207.04784	10.7
207.06496	65.7
207.10406	8.2
207.13795	100.0
209.11771	9.5
277.08676	7.5
292.69733	6.8
298.19482	7.6
305.08081	10.2
310.10794	8.7
337.10736	35.3
351.10788	14.9
369.14755	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03945	0.7
55.01867	1.4
55.05513	0.9
57.03442	7.6
57.10534	0.4
60.85357	0.5
61.02924	1.6
65.03936	1.6
67.01884	0.4
67.05502	1.0
69.03439	3.1
70.06591	0.8
70.21408	0.5
71.01358	6.6
71.04988	0.5
71.59246	0.7
72.71777	0.5
73.02917	9.6
75.04481	0.9
77.56295	0.4
79.05486	1.2
81.03427	2.0
81.07043	1.1
83.01339	0.6
83.04980	1.0
85.02908	19.0
91.05486	100.0
92.05821	0.8
93.07041	1.7
95.01333	3.6
95.04974	0.8
95.08620	0.8
97.02908	7.5
97.06542	0.5
99.00811	2.0
99.04455	0.6
101.02393	2.4
103.03966	2.9
103.05474	0.6
105.03386	1.8
105.07043	2.4
106.04173	0.7
107.04964	0.6
107.08637	1.0
109.10175	0.7
110.58131	0.5
113.02369	8.0
115.03971	0.5
117.01847	0.6
117.05549	0.5
119.04977	1.1
119.07766	0.5
119.08598	2.1
121.02868	1.6
121.06510	1.1
121.10151	1.4
123.00811	0.8
123.04481	0.8
123.08092	1.2
127.03896	0.9
131.03423	4.2
131.04878	1.0
131.08626	0.6
133.06528	1.5
133.10117	1.6
135.08069	1.3
135.11740	0.5
136.07686	0.4
137.05988	4.1
137.09650	1.6
141.01837	7.7
141.05492	0.5
143.03427	0.7
145.04950	1.3
147.08066	0.7
149.06068	0.7
149.09621	16.3
159.02844	2.3
161.05994	0.8
161.09612	0.7
161.13255	0.7
163.11232	0.8
167.07191	0.6
169.04915	1.2
171.11684	0.5
174.10344	0.5
175.03926	0.9
177.05521	1.4
179.07086	0.9
187.06100	1.2
189.09164	0.7
189.12709	2.8
191.14442	3.7
193.08621	19.7
194.09137	0.5
197.04504	1.2
207.06557	1.4
207.13800	2.6
209.15437	1.8
215.05444	2.5
221.08188	0.6
233.06541	0.7
235.09692	2.7
249.05156	0.5
261.20847	0.4
333.09982	0.5
337.10800	1.1
351.10852	0.5
369.11679	1.1
369.19388	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	369.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11107	1.7
56.96572	52.6
69.03419	2.8
70.06606	2.3
70.13813	8.3
70.21519	1.9
71.95273	2.5
73.02908	2.0
74.97622	3.4
81.03428	2.0
84.96046	4.4
85.02910	7.4
86.09711	4.4
89.02201	1.9
97.02919	5.1
98.97591	41.3
98.98196	3.6
106.92592	2.1
107.04969	3.6
110.97587	5.9
115.63938	2.2
116.98651	25.0
119.01877	1.7
127.03937	8.5
128.98608	8.7
130.93304	4.6
131.00211	2.4
134.99681	16.5
139.91469	2.2
143.00215	3.6
144.98080	2.7
146.99655	5.6
148.94449	2.3
150.99216	5.2
158.99649	5.6
161.01227	3.4
162.99080	2.6
172.94398	22.1
173.01180	3.1
174.99239	4.0
175.52829	1.8
177.00745	7.0
182.99675	9.9
189.00789	3.8
190.95395	26.6
193.00212	8.6
197.01266	2.9
201.00737	29.7
208.96494	8.9
211.02916	2.5
214.95390	20.2
216.26569	1.9
219.01756	12.5
224.98967	2.2
225.00867	3.8
232.96477	100.0
237.02870	11.6
243.01904	9.1
248.95987	1.8
248.99196	5.7
250.94994	3.0
250.97542	56.5
255.64978	2.1
260.96033	2.0
261.02911	8.7
268.99841	5.3
279.04166	2.6
287.00812	12.6
304.03888	2.7
309.02768	2.6
328.03638	16.0
346.04843	77.3
364.05939	35.4
369.06262	2.7
387.06729	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.05518	27.7
57.07078	7.5
65.03951	3.9
67.05507	44.9
67.29230	2.2
69.03435	10.8
69.07077	23.5
69.29456	12.5
69.29889	12.7
70.13688	2.4
71.04997	7.5
79.05495	42.5
81.07064	57.4
83.04990	6.2
83.08637	13.8
85.06544	4.2
91.05486	69.3
91.06010	5.0
93.07055	84.5
95.04980	43.2
95.08611	67.1
97.06533	12.5
103.05497	4.8
105.04583	3.2
105.07040	99.2
106.07356	4.3
107.08604	61.7
109.06522	20.9
109.10165	46.0
111.08109	8.1
115.05433	6.1
116.06239	3.8
117.07010	29.4
119.08595	100.0
121.06487	9.9
121.10155	48.3
123.08116	10.6
123.11731	15.6
125.09622	2.9
128.06232	14.8
129.06996	18.8
130.07797	7.6
131.08578	62.9
133.09125	3.3
133.10141	64.3
135.08093	16.5
135.11693	24.1
137.09615	7.4
138.18860	2.8
139.11197	5.5
141.07031	7.2
142.07780	21.4
143.08578	45.4
144.09357	10.8
145.06483	3.5
145.10146	71.5
146.07278	6.3
146.10648	2.7
147.08083	12.2
147.11696	20.5
149.09618	13.8
149.13280	4.3
149.88947	2.6
153.07002	3.3
155.08586	13.9
156.09319	16.6
157.10147	59.2
158.10957	7.1
159.08075	3.7
159.11716	41.6
161.09636	48.7
161.13286	11.0
163.11221	4.6
163.14726	3.4
165.07034	4.8
167.08612	10.1
168.09293	5.3
169.10147	21.6
170.10890	8.8
171.11714	32.5
172.12489	5.2
173.09665	7.8
173.13298	27.1
175.11217	9.7
175.14862	18.2
177.12737	3.0
179.08614	11.6
180.09381	4.2
181.10115	12.7
182.10875	5.9
183.11703	23.7
184.12413	5.0
185.13297	17.5
187.11295	6.3
187.14824	14.7
193.10179	7.2
194.10895	9.1
195.11694	15.1
196.12428	5.1
197.13243	15.2
199.11226	5.9
199.14865	19.6
201.12756	6.0
201.16371	6.1
207.11723	5.7
208.12439	3.2
209.13306	25.6
210.14017	4.1
211.14905	12.1
213.12788	5.5
213.16316	5.7
215.14166	3.5
221.13254	3.0
223.14885	5.5
225.16423	4.4
227.14299	19.9
235.14928	4.5
239.18002	10.4
251.17946	6.0
253.19591	2.9
255.17526	8.4
257.18845	6.3
265.19629	6.7
267.17505	4.6
269.18958	4.4
283.20569	3.8
293.19058	4.0
349.25385	9.6
367.26398	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	367.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01869	1.5
55.05503	3.4
57.03425	2.4
60.37079	1.1
67.05503	2.7
67.61333	1.2
69.03439	18.1
69.07051	3.6
70.74101	2.3
70.74464	2.4
71.04991	1.6
73.02907	4.5
79.05505	10.6
81.03420	2.7
81.07050	4.3
83.04988	10.7
85.02911	17.1
87.04485	1.9
91.05491	7.9
93.07017	2.6
95.04977	3.4
95.08611	2.5
97.02901	11.4
97.06467	1.5
99.00767	1.6
99.04473	1.2
103.05460	2.6
105.07030	8.0
107.04958	1.5
107.08617	11.6
109.06513	2.4
109.10165	1.2
113.02366	4.7
115.03919	3.0
115.05476	1.1
117.07043	6.4
119.02327	1.2
119.08584	7.9
121.06530	9.3
121.10177	5.8
123.08050	3.0
131.08545	6.0
133.06502	100.0
133.10101	6.3
135.08069	8.3
143.03419	4.9
143.08510	2.1
145.10089	2.4
147.08057	3.4
147.11678	5.1
149.09586	4.5
149.13327	1.4
156.09351	1.7
158.10921	4.1
159.08051	3.8
161.04361	1.7
161.09575	6.1
161.13338	1.5
163.07559	2.5
163.11159	2.9
173.13297	7.1
173.78162	1.3
174.10420	1.6
176.12051	1.6
177.09142	1.5
188.07135	1.3
189.12778	22.4
190.05101	1.4
191.14320	69.9
195.10156	2.2
201.12560	1.3
207.13840	10.6
307.10760	2.3
367.17429	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01862	13.6
55.05516	25.4
57.03437	31.7
57.07068	4.6
65.03953	4.1
65.66650	2.4
67.05505	57.4
69.03431	4.1
69.07072	25.0
71.04988	9.4
71.21202	6.0
75.04491	3.5
79.05499	47.0
81.03398	3.2
81.07059	71.1
81.07520	5.1
83.04982	10.3
83.08605	12.9
85.06549	10.6
91.04948	5.2
91.05482	50.2
93.07051	66.3
95.04983	12.4
95.08603	46.4
97.06530	16.2
97.10191	7.6
99.08102	4.4
100.07663	3.1
103.04003	2.6
105.07037	60.4
107.04972	9.6
107.08607	41.9
109.06506	19.7
109.10172	23.7
111.08095	7.7
115.05450	4.2
117.07024	24.8
119.08598	49.2
121.06524	10.0
121.10160	24.5
123.08075	9.7
123.11720	6.7
125.09620	6.1
128.06258	3.4
129.07047	12.9
131.07074	3.0
131.08577	37.1
131.92892	2.5
133.10144	33.1
135.08046	15.1
135.11703	10.6
137.09654	7.7
139.07558	2.7
141.06961	4.4
143.08598	13.5
145.10146	36.1
145.62820	3.2
147.08003	3.7
147.11693	24.7
149.09631	21.1
149.13297	6.2
151.11226	7.1
153.09276	2.7
155.08467	4.4
157.06470	3.4
157.10133	11.7
159.08138	3.3
159.11711	30.4
161.09604	4.0
161.13286	10.6
163.11166	12.2
169.10234	4.8
171.11691	6.5
173.09698	2.9
173.13228	14.8
175.11185	4.7
175.14934	5.8
177.12808	6.2
183.11725	5.8
185.13316	17.7
187.11162	3.1
187.14848	7.0
189.12817	3.3
197.13345	5.9
201.16399	5.6
203.14355	9.7
205.12091	3.3
205.15971	3.8
207.13918	3.0
219.17407	31.4
229.19444	4.2
233.15588	2.8
235.07700	3.0
239.18050	8.0
247.20569	5.3
257.19040	21.6
275.20078	100.0
276.20496	4.0
279.19720	3.1
293.21216	14.8
349.23721	48.3
367.12277	4.8
367.24677	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	367.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01859	0.7
55.05508	2.1
56.05023	0.6
57.03428	1.3
60.33163	0.6
62.10970	0.5
64.18588	0.6
67.05515	1.4
69.03434	4.9
69.07070	1.4
70.06589	1.2
71.05029	0.6
71.59000	0.8
73.02916	1.2
73.14636	0.6
79.05515	3.5
81.03426	3.7
81.07037	1.5
83.04968	2.5
84.08138	0.8
85.02903	5.2
91.05482	6.4
93.07031	2.7
95.08604	1.1
97.02914	3.0
97.06507	0.6
99.04459	1.1
103.05471	0.7
105.07050	7.1
107.08591	3.3
109.02890	2.4
109.06537	1.2
109.10160	1.0
113.02355	0.9
115.03955	0.8
115.05433	0.9
117.07030	7.4
119.04901	0.6
119.08595	14.2
121.06503	1.8
121.10128	3.9
123.04398	0.8
123.08096	1.8
127.03913	2.2
129.07048	1.2
130.07770	0.7
131.08571	2.7
133.06512	5.6
133.10143	29.5
134.10492	0.7
135.08061	5.9
137.09560	1.2
141.07051	1.1
143.03461	1.3
143.08560	1.9
145.06502	1.3
145.10147	2.1
146.10902	0.9
147.08055	4.1
147.11717	7.4
149.08530	1.2
149.09634	13.4
156.09380	5.2
157.10063	0.6
159.08072	15.7
159.11693	1.4
160.08810	1.8
161.09634	2.4
161.13269	12.2
163.07602	1.9
163.11137	1.1
171.11736	4.3
173.09666	1.9
174.10426	34.3
175.10820	1.1
177.09090	1.8
187.11234	4.9
189.12766	100.0
190.13107	2.2
191.14305	4.4
195.10172	0.9
205.08685	1.3
207.13828	5.9
266.11356	0.6
367.13626	1.6
367.17606	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	367.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.1
55.01863	4.2
55.05492	2.3
57.03428	3.0
65.24393	0.9
67.05502	3.5
69.03433	19.4
71.04990	4.0
71.58920	1.3
79.05492	11.1
80.36424	0.9
81.03423	37.0
81.07058	3.9
82.65327	1.0
83.04990	6.2
85.02902	2.2
91.05480	26.9
93.07047	17.3
95.04955	4.0
95.08627	1.6
97.02889	10.3
97.06540	2.2
99.04461	8.0
105.07027	7.2
107.04966	4.5
107.08601	10.1
109.02880	17.4
109.06539	1.2
111.04435	2.5
115.05480	4.1
116.06268	1.7
117.07023	100.0
118.66109	0.9
118.96981	1.1
119.08593	9.7
121.06519	8.7
121.10149	3.7
123.04433	4.0
125.05952	1.1
127.03925	21.7
129.07005	1.4
131.08572	26.9
133.06465	4.2
133.10114	2.8
135.08058	22.3
137.06006	1.5
139.07536	1.2
141.07028	1.7
145.05013	1.8
145.06488	4.5
147.11646	1.2
149.09619	12.5
151.16096	1.1
153.05463	1.5
159.08063	13.7
161.05969	3.4
161.09644	2.5
163.07553	27.4
177.09114	27.8
179.10583	1.1
181.08704	1.3
187.07539	7.2
195.10152	16.7
205.08614	22.8
205.15826	1.5
223.09650	8.6
225.07475	6.8
241.10777	4.0
289.71292	1.2
303.12366	1.5
307.10699	1.6
321.13242	1.8
331.11807	1.7
349.12802	2.4
367.04514	1.5
367.14063	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	367.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
51.20124	0.7
53.03952	9.4
54.19890	0.7
55.01870	2.5
55.05519	0.9
57.03435	2.7
65.03947	0.7
67.05492	1.6
69.03436	15.6
70.98549	1.0
70.98880	1.0
71.04980	2.5
79.05502	8.4
81.03423	34.6
81.07069	1.1
83.04980	6.2
85.02917	3.7
91.05487	20.4
93.07055	14.5
95.01334	0.7
95.04982	4.2
97.02899	10.8
99.04469	5.4
103.05466	0.6
105.07049	6.7
107.04958	5.7
107.08604	9.1
109.02884	12.2
109.06522	1.6
111.04440	1.3
115.05482	3.1
117.07027	100.0
118.07388	2.2
119.08586	8.5
121.06503	6.4
121.10161	3.1
122.42377	0.7
123.04443	3.4
125.06007	1.7
125.09715	0.8
127.03069	1.2
127.03933	13.2
128.06259	1.2
129.07001	2.2
131.08574	16.8
133.06477	3.2
133.10147	1.3
135.04443	1.4
135.08063	19.0
141.07031	1.3
143.08565	1.1
145.04976	2.7
145.06473	4.3
145.10162	1.0
147.08112	1.3
149.06004	1.0
149.09634	13.0
149.31516	0.6
151.07625	1.2
153.05489	1.6
153.06664	0.7
153.09143	0.9
154.97952	1.0
155.08554	1.1
159.08075	11.2
161.05997	3.4
161.09601	1.7
163.07559	22.5
165.05501	1.4
171.08093	1.2
177.09116	22.2
179.06984	0.6
179.10701	0.8
181.08640	0.9
181.18018	0.7
185.09572	0.7
187.07536	4.3
189.05521	0.8
189.09306	0.7
191.10709	1.8
195.10178	19.3
197.09505	0.9
201.09146	0.8
205.08627	17.3
213.09113	1.1
223.09654	6.8
225.07539	12.2
225.09418	1.1
241.08556	1.0
241.10701	3.3
243.09959	0.8
249.11366	1.0
259.09540	0.8
271.09927	0.9
281.15073	0.8
307.11813	1.4
319.11844	0.7
321.13214	1.0
331.11676	2.2
349.12833	3.6
367.13916	12.7
367.18103	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	367.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03748	0.8
53.03954	11.2
53.46367	0.7
55.01869	3.3
55.05503	1.5
57.03444	3.9
60.04532	5.8
63.97245	0.8
67.05519	4.7
69.03074	1.3
69.03433	19.1
69.07052	0.9
69.45171	1.4
69.45589	4.1
70.06599	0.8
71.01301	0.8
71.04984	2.8
79.05495	10.3
81.03423	39.5
81.07071	1.8
83.04981	5.6
85.02906	3.5
91.05488	22.2
93.07049	14.2
95.04977	3.9
95.08593	1.1
97.02900	10.7
97.06534	1.2
98.91980	0.7
99.04463	6.2
105.07031	6.2
105.34428	0.7
107.04959	5.7
107.08606	9.9
109.02883	14.5
109.06542	2.6
111.04442	1.0
115.05437	3.4
117.07027	100.0
118.07355	1.5
119.04923	0.9
119.08603	8.9
121.06519	7.7
121.10154	3.0
123.04433	2.9
125.06016	1.5
125.09621	0.8
127.03928	17.5
128.06213	0.9
129.07033	3.4
131.04919	0.9
131.08583	19.5
132.08942	1.0
133.06490	3.3
133.10162	3.1
135.08069	22.2
137.06026	1.1
141.05443	1.0
141.07114	0.9
143.08568	1.7
145.04987	3.4
145.06499	3.0
145.10135	1.2
147.04445	1.2
149.06050	0.9
149.09636	13.0
153.05455	2.0
159.08073	11.4
161.06041	2.7
161.09639	2.1
163.07556	22.8
167.10660	0.8
169.06456	1.0
171.08134	0.7
172.99013	0.8
173.09631	1.2
174.44797	0.7
177.09114	25.5
185.05878	0.8
185.09569	0.9
187.07579	5.8
189.09053	1.3
191.10756	1.4
195.10179	20.4
195.11853	1.4
199.07486	1.1
205.08607	17.4
218.50008	0.7
219.10112	0.8
223.09637	8.6
225.07582	13.1
225.09540	1.2
241.10739	2.5
303.12265	1.4
313.10931	1.0
331.11957	1.7
331.26859	1.5
349.12952	3.4
349.28006	1.2
366.28180	0.8
367.13916	12.4
367.28928	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	366.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06609	26.1
71.59164	6.8
76.12400	5.4
81.07059	22.5
85.02911	13.7
88.40804	5.4
95.08621	13.6
99.68330	4.8
105.07050	33.5
109.02862	7.4
109.06509	47.4
123.08079	18.0
126.05635	6.3
127.03909	8.7
130.06540	9.1
132.08093	6.0
144.08128	10.3
146.06036	13.9
151.07550	16.6
156.08081	9.4
159.09253	4.7
169.08609	100.0
169.09918	8.6
187.09703	47.6
188.07069	12.1
229.09750	16.6
332.11288	9.6
349.13834	6.1
368.83517	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	367.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84547	0.1
56.96552	0.2
70.24028	0.6
82.99892	0.2
84.17399	0.1
98.97589	0.5
101.00894	1.3
103.44050	0.1
116.98647	0.4
119.01929	7.8
126.27620	0.1
132.50864	0.1
133.03461	0.2
134.99834	0.6
137.02965	2.7
140.98915	0.2
142.03593	0.2
153.00952	0.4
158.99876	0.9
165.99628	0.3
169.13696	0.1
175.03029	0.4
177.00966	19.7
178.01086	1.0
182.99947	0.5
192.98967	0.2
193.04126	0.5
195.02078	0.5
198.62003	0.1
200.02586	0.3
201.00928	1.2
217.04120	3.1
217.99086	0.2
219.02023	25.0
220.02124	1.4
221.01996	0.3
225.00868	2.3
227.99789	0.2
233.03519	0.2
234.99956	0.6
236.00108	0.5
236.97639	0.2
236.99770	0.3
238.40721	0.1
241.98930	0.2
242.03604	0.6
243.01993	7.3
244.02213	0.4
254.01140	0.2
256.95148	0.4
257.03159	0.1
258.99908	1.1
260.00052	1.1
261.03076	100.0
262.03229	5.0
263.03418	0.7
265.99185	0.3
266.03583	0.4
275.04660	1.7
277.01001	1.1
278.01138	1.4
279.00967	0.6
282.99966	1.5
284.00095	3.0
284.04663	3.7
284.99741	0.9
285.04962	0.3
288.07437	0.1
300.94180	0.2
301.01038	2.4
302.01181	4.3
303.00885	1.6
304.01205	0.2
324.94318	0.4
325.02475	0.2
326.01236	0.5
342.95245	0.8
343.02045	0.5
344.02228	1.9
345.01938	0.4
362.03253	0.6
367.02216	0.6
372.51746	0.2
373.01559	0.3
385.03183	5.1
386.03104	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	366.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01875	5.3
57.03444	6.8
60.04527	2.2
61.02924	7.2
67.05511	1.3
68.99785	2.5
69.03434	35.8
69.48561	7.7
70.06582	1.5
71.04994	3.3
73.02930	5.8
80.31982	1.1
81.02983	1.8
81.03425	25.6
81.07059	2.1
83.01340	1.7
83.04992	1.2
83.08633	1.1
85.02914	100.0
86.09727	1.7
87.00835	48.2
87.04455	1.5
91.03946	1.6
91.05481	3.1
93.07019	1.8
97.02281	1.6
97.02905	32.9
98.20779	1.9
99.04477	11.5
105.01878	77.9
105.07024	1.7
106.02185	1.1
107.08602	1.9
108.04444	1.5
109.02888	31.0
109.10146	1.1
114.63920	0.9
115.03915	1.7
116.45084	0.9
117.01848	2.2
117.07023	5.0
119.08566	1.6
127.03929	72.6
129.01819	2.9
131.08592	1.4
133.06439	1.0
133.10072	1.5
135.07986	1.0
136.06152	2.4
145.04976	28.4
147.02867	2.5
154.34563	1.1
155.72919	1.0
159.02913	11.9
159.08067	1.0
164.07082	1.8
165.01863	2.0
177.09190	1.2
182.08133	2.5
189.03937	3.2
189.12758	3.3
191.60464	1.1
195.10135	1.4
204.12410	1.3
206.74248	0.9
207.13708	1.9
212.20686	1.1
213.03929	3.3
231.04990	22.2
248.07744	1.3
249.06035	8.0
283.06076	8.2
292.24042	1.0
362.12329	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	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01875	8.6
55.05507	3.3
57.03431	6.1
61.02932	5.4
63.20943	0.9
67.05508	0.7
68.99792	2.2
69.03436	36.1
70.24805	2.9
71.04987	4.4
73.02917	5.3
73.73040	0.9
79.05494	0.9
81.03426	24.3
83.01347	1.0
83.08620	1.7
85.02911	100.0
86.03241	1.3
87.00837	44.6
87.04470	1.3
90.79043	0.7
91.03979	1.8
93.07050	1.2
97.02280	1.8
97.02901	29.8
98.21500	1.0
99.04460	13.8
105.01875	61.2
108.04491	3.1
109.02888	26.6
111.08166	1.4
115.03940	1.8
117.01865	2.7
117.07023	0.9
127.03925	65.6
128.04253	0.7
129.01854	2.4
135.11694	0.7
141.09131	1.6
145.04973	33.4
147.02931	2.2
151.07561	1.9
159.02914	11.7
171.02888	1.2
177.03970	0.7
189.03990	3.3
191.10732	1.8
209.11780	2.6
213.04068	2.7
213.65459	0.7
230.06561	1.0
231.05026	18.0
248.07692	1.7
249.06047	5.4
269.14157	1.0
295.11780	4.6
313.12836	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	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
52.91352	0.2
55.05506	1.0
57.07084	2.6
60.04513	0.4
61.49108	0.2
62.60505	0.2
67.05498	1.0
67.47139	0.3
69.07067	1.1
69.94514	1.3
79.05476	0.8
81.07066	1.5
81.50670	0.3
81.56071	0.2
83.04969	0.3
83.08653	0.3
85.06546	1.1
91.05499	0.7
93.07049	1.5
95.04945	0.6
95.08624	1.3
97.06496	0.3
97.10169	0.3
105.07034	1.1
106.05067	0.3
107.08586	1.3
109.06522	1.4
109.10170	0.5
111.04435	0.3
117.06995	0.4
119.08593	1.2
121.10150	1.0
123.08067	3.2
124.08862	1.8
125.06007	0.4
129.07057	0.3
131.08589	0.5
133.10123	0.8
135.08067	0.8
135.11674	0.3
137.05983	0.6
137.09581	0.5
138.06802	0.3
139.07527	0.5
142.07811	0.4
143.08556	0.6
145.10136	0.7
147.11734	0.7
149.09642	0.5
151.07553	4.0
151.11217	0.4
152.06458	0.3
152.08342	6.8
156.74777	0.3
157.10150	0.6
159.11694	0.5
161.09630	0.3
161.13345	0.3
163.34715	0.2
165.09122	9.8
165.12750	0.6
166.09949	0.7
169.10213	0.4
173.13214	0.2
175.11244	0.4
177.09109	0.5
177.12798	0.4
179.10674	2.1
181.10182	0.4
181.12251	0.5
183.11697	0.4
185.13271	0.5
189.12775	0.3
193.12300	0.5
194.13051	3.5
195.11812	0.5
195.13579	0.4
197.13208	0.7
207.12090	0.3
207.13794	1.5
235.16988	0.6
249.18526	0.7
263.20132	1.7
275.17981	0.3
291.19498	0.4
319.26358	1.1
347.25851	17.9
348.26141	0.6
365.26910	100.0
366.27261	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	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.8
55.05502	5.9
57.03435	12.9
61.02916	5.7
69.03432	45.0
71.05005	7.3
71.19943	6.3
71.20273	6.4
73.02910	6.8
81.03408	29.6
81.07078	5.8
85.02911	100.0
87.00831	40.2
91.05486	10.5
93.07061	11.9
95.08671	6.5
95.70679	4.6
97.02920	32.5
97.05560	4.8
99.04449	11.9
105.01876	67.9
107.08597	7.9
109.02894	33.4
117.07038	13.3
126.05525	6.2
126.95580	4.4
127.03923	78.0
145.04929	33.2
146.06068	5.0
159.02901	9.5
180.06345	5.8
209.11688	5.8
231.04997	24.2
234.23598	4.8
249.06194	7.5
263.56726	5.0
334.35718	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	365.2687
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
51.25332	0.4
51.78074	0.3
55.05443	2.1
57.07012	1.8
67.05437	2.0
69.06997	3.0
69.83454	1.1
69.83871	1.0
79.05417	1.7
81.06973	2.9
83.04925	1.0
83.08607	0.7
85.06448	1.1
85.06936	0.4
91.05398	1.4
93.07059	2.6
95.04919	0.8
95.08618	2.6
97.06473	0.9
99.08025	0.5
101.85296	0.5
105.06940	1.4
107.08604	3.0
109.06515	2.2
109.10068	1.2
111.04358	1.1
111.08047	0.9
119.08521	1.0
121.06448	0.5
121.10040	1.1
123.08092	5.2
124.08812	0.7
125.05905	1.3
131.08549	0.8
133.10106	0.9
135.07977	1.6
135.11620	1.2
137.05896	1.4
137.09554	0.5
138.06667	0.5
139.07497	0.6
145.10135	0.8
145.54379	0.4
147.11591	1.2
149.13190	0.5
151.07550	4.2
152.08330	3.8
157.10080	0.5
161.09596	0.4
161.13248	0.5
163.11064	0.6
164.08336	0.5
165.09126	14.3
165.12657	0.7
166.09819	0.8
170.94965	0.4
175.11076	1.3
177.09114	0.9
177.12770	0.8
179.10672	1.8
179.14188	0.8
181.12170	0.9
189.33167	0.4
193.12158	0.9
195.13762	0.7
208.14630	1.9
219.13620	0.5
221.15334	2.8
221.18996	0.4
249.18500	1.2
263.20044	0.8
291.19684	0.4
305.24731	5.7
319.26355	5.8
328.22217	0.4
347.25827	49.0
348.26044	1.8
365.26898	100.0
366.27310	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	365.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55186	0.9
67.05502	2.6
69.03446	2.2
70.05624	3.1
79.05484	2.8
81.03411	2.3
81.07043	1.4
85.02883	1.0
86.06076	0.8
91.05482	2.5
92.04993	0.9
93.07039	2.1
94.06570	3.7
95.04964	1.4
95.08570	1.3
98.21470	1.4
99.41908	1.0
99.86594	0.8
105.07024	2.8
107.08614	2.5
109.06541	1.1
112.38737	0.8
117.07069	1.6
119.08570	1.4
120.04476	1.0
121.06528	1.3
121.10154	1.2
122.06023	3.6
124.07617	1.6
125.02307	1.3
129.06955	1.0
131.08601	1.5
133.10149	1.5
135.11681	0.9
136.07553	1.4
137.02356	1.2
137.04684	2.2
143.08470	1.1
145.10121	2.0
150.05484	0.9
151.06314	7.9
152.07080	94.1
153.07387	1.1
154.50369	0.8
157.10104	2.3
163.11148	1.1
166.08649	48.4
181.01353	1.8
182.08142	2.2
182.09636	1.2
194.08144	100.0
195.08470	1.5
198.07701	2.0
199.02435	2.7
199.12276	2.2
210.09158	2.9
212.09195	90.0
213.10077	3.2
215.14404	1.2
227.08185	1.0
227.11780	9.1
240.08951	4.1
241.09724	7.2
243.13885	1.1
255.11292	22.8
256.11780	1.0
261.14990	1.4
273.12506	1.2
283.10748	3.2
301.11850	8.4
340.98996	1.0
365.06284	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48586	1.2
53.03942	3.2
53.83733	1.3
54.66606	1.2
55.01875	8.5
55.05258	2.6
55.05510	28.4
56.96544	1.3
57.03440	10.6
57.07068	1.6
65.03937	1.8
67.05506	31.7
69.03437	16.1
69.04562	3.3
69.07070	41.5
71.04994	2.6
71.58517	1.6
76.27703	1.3
79.05493	31.6
81.03426	8.2
81.07058	28.5
83.04974	5.7
83.08618	14.1
85.02901	1.6
85.06544	3.4
91.05485	21.7
91.79392	1.2
93.07049	23.3
94.69741	1.4
95.04980	10.7
95.08613	16.5
97.02890	18.8
97.06535	4.3
97.10157	13.1
98.97581	2.4
105.07038	15.5
107.04955	10.0
107.08592	18.2
109.06528	4.6
109.10154	10.1
111.04492	1.6
111.08096	1.9
115.05446	1.6
116.05358	1.2
116.55215	1.3
117.06996	8.3
119.08578	16.0
121.06522	4.7
121.10133	9.8
123.04459	2.3
123.08093	6.6
123.11653	1.6
125.09647	14.1
129.06995	2.9
131.04951	1.9
131.08585	8.6
133.06509	2.9
133.10127	8.8
135.08043	8.7
135.11717	3.3
137.09587	3.3
141.06850	1.9
142.07811	2.0
143.08603	3.2
145.06577	1.7
145.10138	8.5
147.08055	8.7
147.11681	5.0
149.09572	3.6
149.13260	3.3
153.09119	2.3
157.10129	4.3
159.08064	2.0
159.11705	6.1
161.09657	4.5
161.13293	2.1
163.11217	2.7
165.09058	2.1
171.10255	2.3
171.11705	4.0
173.13286	2.7
175.11203	3.1
177.12798	3.1
179.10725	1.6
185.13297	2.4
188.66516	1.3
189.11214	8.6
189.12694	2.5
195.11775	1.9
195.13734	2.0
203.05852	1.5
205.12239	3.2
217.85193	1.4
223.13289	25.1
223.15341	1.7
227.17995	1.8
245.19112	1.9
249.14833	1.9
263.20142	2.1
273.18491	16.0
291.19547	100.0
292.19943	2.6
296.00180	1.5
329.20956	1.8
347.05676	1.6
365.10474	5.6
365.23251	43.0
365.27972	5.4
365.32074	2.7
366.23572	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	365.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01879	5.2
55.05506	8.9
57.03424	9.1
59.32111	3.0
61.02940	4.3
65.03947	4.2
67.05492	11.9
68.99782	5.4
69.03075	3.7
69.03436	60.6
69.07061	3.8
69.52103	23.6
71.01348	2.7
71.04980	7.2
77.75237	2.9
79.05503	18.8
81.03429	33.9
81.07064	31.3
83.04974	11.2
85.02914	22.7
87.00830	12.8
91.05481	34.1
93.07053	91.5
95.04970	18.4
95.08599	20.3
97.02922	15.0
97.06518	6.2
97.16320	2.8
99.04439	6.6
104.99782	5.1
105.01838	4.1
105.07037	65.5
107.04944	8.2
107.08599	100.0
109.02859	11.9
109.06506	10.6
109.10148	5.5
111.04417	3.9
115.03907	5.6
117.07025	17.5
119.04970	5.4
119.08576	41.2
121.06499	17.8
121.10136	15.7
121.34585	3.8
123.04422	8.0
123.08060	15.6
125.02347	5.8
127.03918	10.2
129.01854	3.3
129.07010	11.4
131.04991	2.9
131.08574	27.6
133.06477	11.2
133.10121	36.7
135.08040	13.5
135.11705	51.3
137.02347	21.1
137.05963	6.7
139.03893	5.0
141.07004	3.4
142.07788	11.6
143.08574	13.5
145.06482	5.1
145.10144	40.0
147.04379	8.7
147.08066	14.8
147.11710	36.9
149.06020	4.3
149.09619	12.4
149.13248	5.3
150.46016	3.1
151.06354	4.6
151.07498	3.6
151.11108	3.9
152.07057	27.9
153.05392	4.4
155.08557	11.6
156.09349	4.8
157.06511	3.8
157.10106	17.2
158.07346	3.5
159.08052	11.7
159.11722	21.4
161.09612	11.9
161.13231	4.3
163.07545	4.7
163.11194	42.3
165.12733	11.9
166.08656	17.8
167.03429	8.2
169.10104	5.5
171.11690	9.2
173.09621	8.8
173.13252	9.3
175.11218	24.1
177.12799	7.4
181.01314	43.7
182.23573	3.3
183.11676	6.9
185.09613	6.8
187.11160	10.9
187.14763	6.3
189.12779	17.7
193.12297	14.5
194.08134	33.2
195.02946	3.7
197.13255	11.1
199.02376	40.7
199.11116	3.8
201.09174	5.9
201.12767	10.2
203.10776	6.5
205.12343	5.1
212.09204	37.9
213.03967	13.9
213.12640	5.8
215.14322	20.5
217.12228	7.7
219.13864	5.4
225.12737	8.5
231.05011	7.2
233.15219	3.4
243.13832	57.3
255.11253	10.3
261.14886	89.8
262.15179	3.7
263.07574	3.8
301.06982	4.6
321.16797	6.5
347.14954	51.7
365.11758	5.9
365.16019	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1136
Annotation	10-Hydroxycamptothecin
Peak:m/z	Relative Intensity
55.01862	1.6
55.05517	0.8
56.41280	0.5
57.03449	0.9
58.07708	0.5
59.83340	0.4
63.91645	0.5
65.03941	1.1
67.05500	1.2
69.07071	0.8
69.18419	0.5
69.45324	2.0
69.45757	2.3
77.79772	0.5
79.05491	1.4
80.44830	0.5
81.07053	1.9
83.08643	0.6
91.05476	1.3
92.04975	0.9
93.07047	0.5
95.04970	1.3
97.06615	0.5
99.02878	0.5
105.07018	0.8
106.06615	0.6
107.08611	0.6
109.06566	0.9
113.76340	0.5
117.05783	0.6
119.08595	0.9
129.07014	0.6
133.10155	0.8
145.10147	0.9
155.52118	0.6
157.10112	0.7
159.07037	0.6
167.07298	0.6
172.07582	1.3
173.13289	0.8
182.09627	0.7
191.07237	1.1
192.08249	0.7
193.07474	1.0
193.09007	0.8
194.09706	1.1
199.08650	1.0
204.06502	0.8
204.08138	1.0
205.09012	1.3
206.08171	1.0
206.09827	0.9
207.09187	2.5
209.07158	1.0
209.10869	0.6
210.07878	2.1
211.08572	2.5
212.09473	0.7
218.09891	0.9
219.09138	1.8
220.07954	0.6
220.09964	2.0
221.07182	2.2
221.10695	5.1
222.07877	0.9
222.11472	0.8
223.08730	2.2
223.12355	0.7
224.09410	1.3
225.10260	3.9
225.13866	0.7
227.08218	1.5
232.07579	1.0
232.09848	0.7
233.07091	0.7
233.10597	3.1
234.07825	1.8
234.11575	1.8
235.08609	8.7
235.12274	1.1
236.09357	4.3
237.10263	3.2
238.07469	1.2
240.08882	0.5
246.09099	0.9
247.08646	2.4
248.09407	6.0
249.06618	1.1
249.07298	0.7
249.10216	18.9
250.10985	5.4
251.11824	2.1
253.09763	5.2
253.13292	1.0
259.61954	0.6
261.10342	1.0
262.11053	1.7
263.08276	5.7
263.11823	6.0
264.08966	2.7
264.12625	0.8
265.09808	0.9
265.13376	1.3
267.11267	5.6
273.10266	0.8
273.18558	0.9
275.08328	1.1
275.11731	0.9
276.08881	3.6
277.06259	1.7
277.09735	20.3
278.10526	15.0
279.11240	7.7
280.08789	0.6
288.09116	0.8
289.67123	0.6
290.07022	0.6
291.07675	1.5
291.11224	8.6
292.08521	1.7
292.11966	1.1
293.09235	1.7
293.12854	4.6
294.09906	1.7
295.07187	5.1
295.10815	4.5
297.12231	0.9
302.08771	0.6
304.08429	1.5
305.09238	4.4
306.10123	1.1
309.12326	1.7
319.10675	3.5
321.08676	0.9
321.12375	16.1
322.09601	1.0
323.10306	5.8
337.11862	7.6
347.10284	1.9
350.09097	0.8
365.11353	100.0
365.23190	3.9
366.11707	3.0
383.12445	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	365.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90579	0.5
57.03406	0.6
60.04496	0.8
65.94054	0.5
67.05492	1.0
70.06606	0.7
70.29237	2.2
79.05480	0.8
81.07062	0.9
84.08121	0.8
85.02886	1.0
91.05438	1.1
93.07056	0.5
94.06539	0.5
95.08572	0.5
97.02862	1.2
107.08584	0.7
109.10184	0.5
109.17753	0.5
137.06026	0.6
145.10199	0.7
146.10631	0.6
171.00485	2.0
185.04233	4.2
188.92699	0.6
203.03160	100.0
204.03453	1.1
215.72714	0.5
240.34233	0.5
365.08450	27.1
366.08792	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	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02175	0.6
70.49125	0.8
70.89158	0.8
70.89482	1.2
98.28059	0.7
98.97601	0.9
101.00890	1.6
102.74368	0.6
119.01935	1.4
128.01385	0.6
143.01926	1.3
161.02979	2.0
173.03050	1.6
185.02994	1.2
185.04251	19.7
187.72127	0.7
199.08072	0.7
203.05296	45.8
221.04666	0.9
235.01120	0.9
245.05086	3.9
263.06342	0.7
365.10593	100.0
366.10992	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	365.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77252	0.3
53.02296	0.3
60.94220	0.3
69.52235	2.1
82.52958	0.3
86.78622	0.3
93.60740	0.3
98.21465	0.6
101.00846	0.4
103.85641	0.3
112.89591	0.3
117.93143	0.3
119.01917	0.8
131.01979	0.3
132.52368	0.3
135.62291	0.3
142.01788	0.3
143.01920	0.5
145.03503	0.3
149.88400	0.3
155.01953	0.5
161.02904	0.5
167.01945	0.4
173.02925	0.8
185.04248	22.1
191.99599	0.3
197.02895	0.4
203.05287	48.6
204.05637	0.3
221.04498	0.3
245.05093	2.7
263.06116	0.4
278.17444	0.3
305.07043	0.3
365.10599	100.0
366.11026	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	363.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92913	0.5
53.99580	0.5
56.96565	8.9
57.03430	0.9
61.02933	0.9
61.41632	0.6
69.03428	2.2
71.42346	0.9
71.95273	0.9
73.02899	1.3
81.03445	0.6
84.96030	2.4
85.02909	4.7
87.04470	0.6
97.02900	1.8
97.99203	0.6
98.97588	100.0
99.04443	0.6
110.97556	3.1
112.07600	0.7
112.99134	1.0
116.98624	42.1
119.01886	1.0
120.16058	0.5
127.03947	1.3
128.98611	4.0
131.00163	1.3
131.01854	0.5
134.99667	13.6
139.05862	0.5
140.00191	0.7
143.00172	1.6
146.99658	2.0
147.04378	0.5
152.98506	0.6
153.00749	0.9
156.69931	0.6
158.99664	46.5
161.01271	1.8
161.02979	0.8
167.92497	0.6
170.99669	1.5
177.00722	54.4
177.04169	1.3
186.04358	0.6
189.00760	1.8
191.03912	0.9
191.05893	0.6
195.01802	2.8
200.02344	2.1
200.04482	0.7
201.00780	1.9
201.04320	2.6
204.05426	0.9
205.05676	0.6
215.05893	1.5
217.03946	0.6
217.07428	0.5
219.01782	34.9
219.05318	1.0
237.02824	10.9
243.05315	2.6
255.03880	1.0
257.06982	1.1
258.07135	0.6
261.02814	0.8
273.02829	0.5
279.03989	1.2
303.07504	17.0
307.06946	0.7
321.04849	1.2
321.08557	17.4
321.12259	1.0
335.10172	0.8
344.10184	0.6
363.09201	7.1
363.13431	0.9
375.61081	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	362.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85095	4.1
56.96565	28.9
61.02900	4.7
69.03415	12.0
69.60604	5.6
70.88528	11.9
73.02916	7.4
74.74512	4.3
78.81242	4.3
80.17329	4.5
84.08102	6.2
85.02903	16.3
97.02893	11.3
98.97591	63.2
110.97569	10.1
112.99126	7.3
116.98640	28.3
119.01961	4.7
127.03913	9.2
128.98587	13.7
130.01764	4.6
134.99635	5.2
143.00125	5.7
146.99663	10.0
158.99628	13.4
161.02979	5.8
170.99692	6.4
177.00731	9.7
183.05017	4.7
188.02260	7.1
189.00679	14.9
191.03842	12.3
195.09138	4.8
200.02878	5.7
200.04544	8.2
216.01802	8.8
218.06943	4.9
219.01740	11.0
234.02942	4.6
237.02850	10.8
257.96979	5.0
272.06436	10.8
281.06903	5.2
309.93130	5.3
314.38800	4.6
362.04114	6.3
362.08438	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	362.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01871	3.5
57.03439	7.7
61.02930	13.6
64.80230	1.4
69.03080	1.6
69.03433	18.7
70.87090	3.4
71.04996	3.0
73.02906	2.8
81.03429	8.1
82.72465	1.4
84.43183	1.7
85.02913	100.0
87.04468	1.8
91.03931	4.8
91.05475	13.4
95.04949	4.9
97.02905	27.7
99.04436	4.7
109.02908	7.8
115.03970	1.9
119.04957	24.8
123.04427	14.9
123.06940	1.6
127.03102	1.6
127.03943	23.0
137.05989	64.1
145.04977	36.9
147.04413	9.1
157.06458	2.7
161.06029	2.0
163.06024	6.3
165.05504	38.6
183.06537	9.8
185.05989	5.2
189.05473	2.1
203.07033	9.1
223.06104	1.7
231.06490	4.5
241.17671	1.6
249.07654	12.2
269.39978	1.4
291.08743	4.1
334.22049	1.6
344.19016	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	362.085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73767	5.1
55.01896	4.9
56.96562	6.9
57.03446	13.0
61.02921	11.8
61.77606	4.7
67.46478	4.2
68.03906	4.0
68.54887	4.8
69.03445	35.0
71.58676	6.2
73.02935	34.8
81.03431	11.3
85.02912	80.8
87.04490	6.1
89.21655	4.3
91.03944	5.0
97.02907	27.8
98.97594	56.4
99.04392	6.3
99.97440	4.7
109.02874	8.7
110.01291	10.5
110.97588	21.7
112.89615	23.6
114.89356	24.2
116.89174	5.4
116.98640	14.7
119.01815	20.9
125.01781	8.4
127.03941	19.7
128.02357	5.1
128.98587	8.4
131.01791	7.4
140.98549	6.0
143.00224	7.3
145.04950	12.5
146.02325	11.9
146.99672	6.1
152.02388	8.6
155.02853	19.0
158.99689	30.7
161.01320	7.4
161.02834	14.6
166.82759	5.0
170.03427	8.8
170.99713	17.9
173.02972	6.8
177.00722	25.0
182.03342	22.7
182.99736	6.1
189.00726	18.0
191.03917	90.1
196.38210	5.1
200.04488	100.0
201.00761	20.5
205.99855	7.0
209.04996	13.4
219.01723	36.3
237.02803	29.0
243.01964	7.9
243.55815	5.0
255.03903	15.9
261.02826	23.6
272.06570	55.9
272.56717	9.3
279.03998	14.9
281.07050	67.2
281.57321	5.7
291.03769	5.0
321.05130	9.2
362.04636	8.6
362.08578	99.1
381.07111	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	34.4
67.05513	65.0
69.07077	35.7
70.98608	14.9
71.04992	95.8
73.06583	9.8
79.05491	71.9
81.07064	43.4
83.08605	16.6
91.05469	27.7
93.07046	73.5
95.08628	29.4
97.06509	12.5
97.10133	14.5
97.31519	7.6
105.07024	24.6
107.08599	57.0
109.10185	57.0
119.08572	29.8
121.10151	79.5
125.09614	25.1
129.05003	8.0
133.10144	15.8
135.04379	12.6
153.12706	41.6
155.10713	18.6
163.03969	44.3
164.04214	26.4
171.11786	8.6
173.11745	100.0
187.36386	7.1
189.11238	27.2
258.61426	6.9
265.64749	8.2
275.20175	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	361.1651
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
55.05517	2.0
56.96568	84.9
61.02911	2.0
61.66374	1.6
69.03429	3.1
69.56696	13.4
70.06605	3.6
71.95270	1.8
72.08160	3.7
72.96047	6.1
73.02892	2.5
73.54546	1.8
74.31518	1.9
74.97601	2.8
81.03424	4.0
81.15453	1.8
83.97615	2.8
84.08147	13.4
84.96036	4.4
85.02898	8.6
86.09707	15.7
92.68743	1.8
97.02882	4.6
98.97586	91.4
101.00877	3.8
110.97552	3.5
116.00218	2.3
116.98631	69.3
116.99454	4.2
119.01922	9.8
121.52094	1.8
126.02292	3.5
127.03912	3.6
128.98622	8.7
129.10246	6.0
130.93309	2.1
131.00191	2.2
131.01933	2.4
134.01233	2.2
134.99667	30.6
136.06215	2.7
140.03830	5.8
142.05424	7.5
143.00153	1.8
143.01926	2.8
144.03348	3.1
145.03436	4.0
145.05040	2.0
146.99666	6.6
149.01140	2.4
153.00737	3.0
155.01939	2.1
157.03503	2.1
158.04935	15.1
158.99626	2.9
160.06458	19.1
161.01282	2.8
161.03008	3.2
162.04469	2.0
164.95291	2.9
170.04922	8.4
170.99675	2.5
171.03247	5.4
172.94290	2.5
173.02904	2.3
174.99142	3.2
176.05992	3.5
178.07495	6.1
185.02997	2.8
188.05972	15.4
189.00682	3.2
189.04330	30.9
193.00357	2.6
198.97638	4.6
199.04607	2.0
200.04424	3.3
206.07011	31.3
207.05452	19.2
212.05981	2.6
216.98677	15.5
219.01718	2.7
221.05066	3.5
224.08064	40.9
230.07022	48.0
231.05571	3.4
234.99640	4.5
237.02905	4.2
240.98763	2.7
248.08087	100.0
249.02463	7.2
258.99728	9.3
264.54745	2.5
266.09082	8.5
267.03583	7.1
270.99774	8.5
271.09805	3.5
290.97147	2.3
292.98383	2.3
301.07733	2.4
301.14359	11.9
302.12698	2.1
319.09177	4.1
319.15433	97.4
337.16534	11.1
342.17114	4.0
361.09442	3.3
362.08490	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	360.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80043	6.4
55.01866	10.9
55.05515	60.2
57.01716	6.5
57.03426	6.7
58.44429	6.8
59.04999	64.1
62.15868	8.0
67.05496	100.0
69.06722	8.0
69.07071	98.2
70.15363	20.8
71.05006	67.4
71.47858	7.2
73.02914	8.5
73.90677	6.0
79.05492	69.4
81.03405	22.9
81.07053	51.0
83.05003	11.4
83.08610	36.8
88.18764	6.4
91.05473	26.1
93.07058	43.1
95.04959	30.4
95.08591	25.5
97.06548	51.5
97.10159	55.3
98.21483	9.4
105.07037	26.4
107.04939	15.6
107.08587	34.8
109.06526	14.5
109.10153	20.4
111.08078	16.5
113.06013	7.5
115.05529	8.8
115.07605	43.1
117.07006	13.3
119.08601	14.0
121.06470	9.5
121.10137	24.7
125.09612	48.3
131.08588	17.1
133.10130	14.0
135.04497	8.4
135.08101	9.3
135.11745	8.6
137.09615	17.6
145.10132	9.9
153.12752	8.4
159.11626	14.6
163.03918	11.1
164.04276	13.8
173.11765	19.0
177.12665	7.9
181.79843	7.5
189.11227	23.6
216.06450	7.0
223.13293	16.0
237.14836	15.3
273.18362	9.4
275.19897	12.7
325.19946	7.3
360.23685	9.9
382.53043	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	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
55.01865	12.6
55.05309	6.5
55.05515	75.9
57.03430	10.4
59.04790	5.1
59.05008	56.2
67.05507	94.4
69.03429	17.0
69.07069	100.0
71.05001	63.0
71.58945	8.4
73.02922	9.9
79.05495	62.3
81.03418	30.2
81.07065	65.6
83.04977	17.5
83.08641	37.3
85.06553	10.8
91.05481	46.0
93.07053	48.5
95.04979	31.8
95.08609	29.9
97.06548	52.8
97.10170	66.7
105.07044	30.9
107.04969	17.7
107.08587	35.5
109.06517	15.9
109.10152	18.7
111.08080	8.1
113.06035	5.9
115.07583	34.7
115.08253	6.1
117.06977	11.6
119.08575	24.2
121.06492	12.3
121.10149	20.0
125.09637	45.0
131.08566	14.4
133.10141	10.0
135.04416	9.6
135.08078	17.6
137.09590	15.1
143.08578	8.9
145.10098	6.5
147.08157	7.6
149.09518	7.1
149.13280	6.4
161.13318	7.2
163.03889	23.0
163.11160	6.4
164.04248	20.0
173.11778	14.9
185.13193	5.8
189.11229	24.9
189.12753	6.8
223.13289	23.0
237.14941	10.5
240.15570	5.5
273.18475	10.3
360.23712	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48952	0.9
60.04535	1.6
62.83016	0.9
64.19468	1.0
66.92377	0.9
67.01781	0.9
71.10524	1.8
85.02879	3.2
86.09681	1.1
102.83418	1.4
121.02862	3.2
133.02815	2.4
135.04399	3.0
147.43546	1.0
148.59103	1.0
149.02348	100.0
163.03909	67.2
164.04268	1.7
181.04976	32.7
193.01376	1.2
227.18896	1.0
274.56183	1.0
278.01138	1.0
353.56918	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	359.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	22.7
55.10877	4.1
56.22193	4.5
57.03437	5.2
57.07080	100.0
63.93568	4.4
67.05512	34.9
69.07072	22.2
71.06910	4.3
71.08650	82.5
71.09045	9.6
79.05469	9.3
81.07065	52.8
83.08634	24.7
85.10185	44.0
88.07631	10.3
91.05491	5.7
93.07030	12.2
95.08609	64.1
97.10152	26.6
105.03754	8.6
105.07061	8.0
106.08650	5.9
107.08592	7.2
109.10156	38.5
111.11726	12.7
119.08594	7.7
121.10130	13.2
123.11728	15.9
133.10155	5.3
137.13284	7.4
145.10126	6.6
147.11595	5.0
163.03918	12.0
165.82445	4.5
181.05023	9.7
181.47734	4.0
222.86984	4.3
237.61320	4.5
240.70888	4.9
267.26859	9.5
280.18796	4.6
285.27820	6.4
295.14420	4.3
296.29483	9.1
341.30573	68.7
359.37143	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84785	3.2
58.71912	3.5
69.03452	3.8
69.95975	13.1
71.06953	3.5
72.08154	27.0
84.08147	4.4
85.02916	11.2
86.09713	31.6
92.37222	3.8
97.02903	21.4
106.02924	15.0
123.04406	4.6
124.03970	17.4
127.03938	6.7
135.04413	3.4
137.06015	4.9
141.50215	3.2
147.04460	3.9
157.96848	3.8
163.03914	4.7
165.05347	3.6
168.59071	3.9
185.16530	13.5
206.06871	4.9
213.15999	8.9
218.28552	3.4
222.06342	15.9
224.07855	5.3
250.05885	13.1
251.56963	3.7
252.07239	5.4
268.08096	8.0
276.33630	3.5
278.05328	10.0
295.05844	4.9
296.06329	34.7
314.06940	4.2
328.08264	3.6
342.06982	5.4
360.10477	100.0
360.14340	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	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47200	1.5
65.03934	2.3
67.05519	3.7
69.03435	2.4
69.07072	1.9
69.39756	10.1
75.58001	1.3
79.05495	4.3
80.85561	1.4
81.07046	3.8
85.02910	9.5
86.09689	10.0
89.03928	10.6
91.05475	5.6
93.07037	4.1
95.04961	1.5
95.08607	4.1
97.02885	2.2
97.06496	2.2
97.93997	1.4
98.03367	1.4
105.07012	8.6
107.04948	6.8
107.07961	2.5
107.08607	26.3
109.10143	3.2
117.03379	11.6
119.08569	6.3
121.06512	1.5
121.10135	3.9
123.04443	2.9
125.09632	1.6
127.03934	2.9
133.10135	17.0
135.04420	21.4
137.05984	8.7
137.09647	2.8
145.02863	12.8
147.04509	1.8
148.03958	4.6
149.09624	2.4
151.03949	1.7
151.11197	7.0
161.05974	4.6
161.09676	7.5
163.03922	100.0
164.04268	4.4
167.10730	9.5
175.09337	1.7
179.10713	14.5
187.07697	1.5
197.11755	86.1
201.12370	2.8
221.06020	5.6
249.05495	2.5
251.07057	1.8
267.06351	2.4
281.07785	1.6
295.06232	7.4
295.09186	1.8
308.61331	1.8
311.12616	1.7
313.07004	2.0
329.13864	5.3
359.12277	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	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
54.96539	1.5
67.05495	2.8
69.03405	3.1
69.85056	9.3
81.03413	2.6
81.07066	2.7
85.02893	9.2
86.09700	5.7
91.05488	5.6
93.07048	6.8
95.04934	2.1
95.08604	2.1
97.02895	3.9
98.21523	1.8
105.07030	8.8
107.08604	18.5
109.02863	2.2
109.10130	2.3
119.08577	3.5
121.02866	4.5
121.06552	2.9
121.10072	1.7
123.04436	1.8
127.03926	2.6
129.10298	1.6
133.10138	20.3
135.04456	2.2
135.11705	20.7
142.45314	1.6
145.02713	2.1
151.11218	2.3
161.09654	9.2
163.03934	8.3
179.10677	34.2
197.11749	100.0
221.05957	3.9
249.05450	2.5
277.05103	1.6
295.06058	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.72379	0.7
55.01878	1.1
55.05502	0.8
61.02922	2.1
62.00072	0.6
67.05465	1.1
69.03427	3.9
69.07068	1.1
69.90821	1.3
69.91252	2.4
71.04981	0.9
73.02898	1.1
79.05475	2.8
81.03414	1.4
81.07044	2.0
85.02903	9.0
86.09710	2.3
89.03923	1.6
91.05466	3.7
93.07041	6.5
95.04977	1.1
95.08607	1.3
97.02871	2.1
105.07037	8.2
107.08602	35.2
109.02843	2.0
109.06499	1.2
109.10158	1.3
114.63007	0.6
117.03389	2.2
119.08577	4.9
121.10152	5.8
123.08071	0.7
123.11720	1.0
127.03912	2.0
131.08527	1.6
133.10133	17.6
135.04427	3.2
137.05974	1.6
137.09650	1.1
139.07596	1.2
143.08643	0.9
145.02844	2.2
145.05028	0.7
148.03978	0.7
149.09627	4.2
151.07542	1.5
151.11171	7.4
161.09610	6.2
163.03905	15.6
167.10677	12.9
179.10681	17.3
197.11745	100.0
198.12083	2.3
295.06107	1.6
301.62326	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	359.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10506	0.3
54.76774	0.3
63.02384	0.8
69.07068	0.4
69.26064	1.9
69.26488	1.6
70.50267	0.3
77.37651	0.3
78.80321	0.3
79.05482	1.6
79.05897	0.3
81.47909	0.3
82.89292	0.3
89.03923	11.3
89.04475	0.6
96.48477	0.3
105.07021	0.4
107.04964	3.4
109.02885	0.5
117.03391	13.6
123.04394	0.5
135.04428	23.8
143.04996	0.4
145.02856	15.2
156.14203	0.4
161.05986	0.4
163.03917	100.0
164.04243	1.2
285.05716	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	359.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01870	2.0
55.05481	0.6
67.05505	1.8
69.03419	1.3
69.07052	1.6
79.05491	3.7
81.03425	1.7
81.07050	2.1
85.02900	1.1
89.03920	10.9
91.05476	2.9
93.07041	1.4
95.04965	2.1
95.08617	1.5
103.05484	5.1
105.03464	0.7
105.04521	0.6
105.07032	3.9
107.04952	7.2
107.08559	1.1
109.02878	2.2
109.06531	0.8
110.16589	0.7
110.54032	0.7
115.05446	2.2
117.03391	12.7
117.07013	0.9
118.04157	1.8
119.04965	1.0
119.08665	0.7
120.04474	2.0
121.06517	2.3
123.04427	3.0
126.28569	0.5
130.04147	1.4
131.04013	1.0
131.04944	13.8
131.08607	0.7
132.05725	2.4
133.06502	2.7
133.10112	0.7
135.04430	25.0
136.04778	0.9
137.02388	0.9
137.05977	2.3
141.06969	1.2
143.04971	1.0
145.02861	15.7
145.03993	1.1
145.06511	1.4
147.04431	1.5
147.08061	0.6
149.05989	2.9
153.07037	2.2
155.08554	0.9
157.06497	1.1
159.04379	2.1
159.08075	1.5
159.11623	0.6
160.05170	1.0
161.05988	15.8
163.03915	100.0
163.07585	1.8
164.04263	2.0
165.06969	2.7
166.07750	0.6
167.07050	6.7
167.08467	1.3
169.06465	1.4
169.34985	0.5
170.07246	0.7
173.05988	1.0
176.04716	2.3
177.05499	1.8
178.07765	3.7
179.08554	2.4
181.06490	1.8
183.08043	1.1
185.06036	0.6
187.07547	6.2
189.07047	0.7
190.07799	1.2
191.07047	19.1
191.08649	1.0
192.07808	5.4
192.09328	0.9
193.06757	1.1
193.08614	5.8
193.10141	0.8
194.07274	1.9
195.08127	2.9
197.06056	1.2
197.09645	0.7
202.07838	1.8
203.08536	2.4
205.06500	2.0
205.08461	0.8
206.07294	2.5
207.08049	5.1
210.06752	1.8
211.07397	1.0
213.10283	0.7
215.08548	0.6
219.08047	1.7
220.08836	2.4
221.06046	4.5
221.09628	6.0
222.06786	1.9
223.07587	5.2
224.08354	1.2
225.05373	1.4
225.09006	1.3
225.10370	1.2
227.07036	0.7
231.08052	1.8
233.05923	1.0
234.06754	2.1
235.07472	4.5
235.11227	1.7
236.04703	0.8
236.08218	1.0
237.05475	5.0
237.09177	1.9
238.06284	2.4
239.07173	2.0
240.07756	1.7
241.09772	1.6
243.11130	0.6
245.09700	0.8
247.07718	1.5
248.08315	2.1
249.05522	5.6
249.09149	5.0
250.06364	3.4
250.08801	0.6
251.06938	5.6
252.07758	3.8
253.09476	3.8
253.12096	1.2
255.06290	0.7
255.11281	1.0
261.09164	0.8
263.07077	2.3
263.10666	1.8
265.04938	1.2
265.08661	1.1
266.05716	2.2
266.09311	2.1
267.06543	1.3
267.10172	2.5
268.07150	0.8
269.08383	0.9
277.05710	0.6
277.08514	3.2
279.06589	0.8
279.10135	1.6
280.07251	1.1
281.08435	8.3
281.11823	1.5
283.10864	3.1
285.07437	1.0
291.10101	1.1
294.08868	5.3
295.06183	2.4
295.09656	31.7
296.10385	3.2
297.11194	0.9
299.09814	1.1
299.12997	1.2
300.10208	1.4
309.08420	0.5
309.11349	6.6
313.10748	5.4
315.12369	2.1
323.12805	1.0
327.12323	43.6
328.12711	2.0
341.14111	3.9
359.15387	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	359.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
61.00282	0.3
63.02365	0.6
69.03412	0.5
69.07051	0.5
69.47288	2.8
74.28858	0.4
79.05505	1.9
80.07597	0.3
81.03432	0.6
89.03922	11.1
91.05493	0.4
95.04979	0.6
95.08633	0.4
107.04967	3.4
109.02894	0.6
115.05471	0.4
117.03391	13.0
123.04433	0.7
127.53044	0.3
135.04430	24.0
137.02394	0.5
141.07034	0.3
145.02866	13.5
145.03989	0.9
145.10095	0.5
158.88168	0.3
161.05940	0.9
163.03920	100.0
164.04272	1.5
178.59738	0.4
186.05466	0.5
187.03938	0.5
203.74905	0.4
249.05569	0.8
295.05991	0.9
295.13199	0.4
313.07004	0.5
327.12286	0.8
341.06683	0.4
351.39209	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	359.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
63.02390	0.6
70.50324	1.0
70.50661	0.5
72.89420	0.4
79.05502	2.2
89.03924	11.9
105.07057	0.5
105.16875	0.4
107.04965	3.5
109.02874	1.0
117.02605	0.8
117.03394	12.9
117.87334	0.4
123.04431	0.7
135.04427	24.6
145.02858	14.9
145.03995	0.9
163.03918	100.0
164.04289	1.6
175.03815	0.4
237.05687	0.6
249.39211	0.4
373.14328	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	359.0763
Annotation	Epiphyllic acid
Peak:m/z	Relative Intensity
50.35272	0.8
69.23978	8.3
77.03958	1.0
91.05490	4.3
98.21510	2.1
103.05475	2.8
105.03441	1.0
105.06994	1.4
110.06827	0.8
111.04451	2.1
115.05457	12.3
122.76416	0.8
123.04420	9.2
131.04948	1.9
133.06506	2.3
135.04417	1.6
137.02374	6.3
143.04942	3.1
143.52509	0.9
147.04411	13.7
152.06152	1.8
153.06992	0.8
157.02835	2.3
157.62779	0.9
159.04414	5.1
160.05212	2.8
161.05989	17.2
163.03958	2.4
165.06993	4.7
167.08604	1.9
175.03954	10.0
176.06262	2.2
177.05556	1.9
177.06963	7.5
181.06482	2.5
183.75414	1.0
187.03883	3.8
191.03340	0.9
193.06551	4.8
195.02814	1.2
195.08046	2.0
197.06029	1.5
203.03348	5.6
205.04910	2.7
205.06541	17.5
211.07533	2.8
221.05992	76.2
222.06461	3.0
223.07545	23.3
225.05598	1.2
231.02853	1.8
233.05981	8.3
234.06575	1.2
239.06982	9.3
249.05492	47.4
250.06094	2.9
251.07080	21.4
257.08115	2.3
261.05386	0.9
266.05780	3.8
267.06537	31.5
268.07220	1.8
269.08084	7.8
277.04980	19.3
278.05414	1.3
279.06577	10.7
285.07611	7.9
295.06027	100.0
296.06412	2.9
297.07520	6.2
313.07083	11.0
318.05182	0.9
341.06601	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	358.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75745	0.7
55.01866	1.2
55.05517	12.7
58.13891	0.8
58.85130	0.8
59.05012	1.1
60.04515	1.5
67.05489	3.1
69.07073	25.1
70.06584	3.9
71.04997	1.4
71.07343	0.9
71.12965	1.6
71.13313	0.9
72.08147	3.8
73.06550	5.0
79.05493	8.3
81.07058	4.6
83.04993	9.3
83.07350	1.0
84.08165	2.1
84.53119	0.9
86.05585	1.5
86.06075	26.3
86.09702	2.3
89.03915	1.4
91.05459	1.8
93.07037	3.4
95.04976	1.2
95.08607	2.1
96.08129	9.8
97.06532	3.5
98.06076	2.9
98.09174	1.1
98.09703	12.0
100.07610	1.3
101.06010	8.5
105.07021	2.8
107.08601	2.7
108.08129	3.2
109.06535	2.3
110.06038	1.0
110.09686	1.4
111.04473	8.0
114.09174	2.2
115.07566	2.2
116.10741	68.9
117.03392	1.6
119.08583	1.5
121.08855	1.4
122.09652	2.8
124.07632	4.3
129.05469	3.9
133.10146	2.5
134.09615	1.4
135.04413	2.7
135.10481	0.9
136.07547	1.1
137.05969	2.0
137.09627	1.1
138.09151	1.4
140.10699	1.0
142.08665	10.9
144.10208	1.0
145.02829	2.1
145.10121	1.5
147.04387	1.8
147.06506	0.9
147.11597	1.0
151.11238	1.4
152.10730	1.9
152.14427	1.1
154.08640	3.1
155.07010	3.8
155.38567	0.9
159.10190	3.0
159.11595	1.1
161.05984	1.0
161.09439	0.8
163.03923	10.6
164.10757	1.3
168.62762	1.1
170.15436	1.1
172.09732	1.9
173.08125	6.5
182.15350	1.9
194.15431	2.1
196.12355	0.8
197.11687	1.5
198.12097	1.9
201.16284	1.0
208.08459	1.0
208.13327	1.4
212.16479	29.1
221.06047	1.2
226.14391	6.6
229.26785	0.8
230.17531	100.0
231.17834	1.7
236.07692	1.2
244.15482	11.5
280.06870	1.1
284.06284	1.6
307.31097	0.9
308.06198	1.4
340.17517	1.4
340.21271	18.9
358.22241	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	358.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05514	8.9
56.05054	1.2
67.05499	1.7
69.07069	25.1
70.06589	2.3
70.81253	0.9
71.07372	1.0
71.10700	2.0
72.08147	2.7
73.06560	2.4
79.05499	7.3
81.03429	0.9
81.07051	3.6
83.04979	4.4
84.08134	2.1
86.05573	1.7
86.06072	27.0
86.09710	17.3
89.03930	2.7
91.05489	1.2
93.07055	2.0
95.04976	1.2
96.08118	6.5
97.06524	3.3
98.06063	1.8
98.09705	8.2
99.04481	1.1
101.06007	5.2
107.04960	1.0
108.08112	3.9
109.06527	1.4
110.09713	1.0
111.04472	7.0
114.09212	1.0
115.07570	2.5
116.10737	59.8
117.03398	3.1
117.11130	0.9
119.08588	1.2
121.08848	1.4
122.09664	2.8
124.07593	2.4
129.05460	1.5
134.09666	1.5
135.04427	6.4
137.05977	1.5
140.10690	1.0
142.08656	7.9
145.02861	3.6
145.10101	1.0
151.03963	2.1
151.11192	1.0
154.08606	1.1
155.07085	1.1
159.10193	3.6
163.03920	22.0
172.09750	1.5
173.08115	5.2
194.15347	2.8
199.17937	4.1
212.16473	19.7
219.93044	0.9
226.14449	1.8
227.17540	1.9
230.17523	100.0
231.17906	2.6
244.15414	9.1
250.86583	0.8
295.05865	1.5
340.21173	5.0
358.22238	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	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	45.2
56.05813	2.5
57.03426	8.3
57.07075	25.3
62.51658	2.6
65.03937	3.0
67.05179	3.1
67.05514	45.9
67.85847	2.3
69.06723	4.3
69.07072	67.1
69.24460	8.9
69.24883	17.8
70.06579	9.0
70.07385	3.3
71.05006	5.3
71.06945	2.8
71.08640	15.7
78.18597	2.4
79.05067	3.2
79.05500	31.3
81.07063	50.7
83.08622	41.7
83.37732	2.5
85.06557	2.9
85.10175	9.0
86.56364	2.7
88.07647	14.4
89.07978	3.1
91.05466	5.7
93.07045	43.6
95.08612	51.8
95.09220	2.9
97.02601	2.5
97.06533	20.9
97.10175	27.7
98.21507	5.1
99.08086	2.6
102.09183	4.3
105.07012	5.9
106.08649	7.6
107.08585	33.6
109.10148	27.6
111.08067	10.5
111.11730	8.9
119.08517	3.6
121.10143	53.6
123.11710	7.9
125.09634	6.8
125.13331	2.8
135.11694	42.9
137.13286	3.2
139.11139	3.6
145.10190	2.8
149.13252	18.6
151.07480	5.4
151.14832	4.4
153.12781	3.5
156.96179	2.6
163.14856	7.1
165.16359	5.3
167.14418	2.7
177.16425	5.6
191.17790	3.2
205.19502	2.7
247.24220	43.2
265.25256	31.3
286.10577	2.5
296.29816	2.7
339.28995	20.7
339.34482	4.7
357.35577	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	358.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65263	1.8
67.50576	1.7
69.60522	7.9
69.60949	4.4
82.57162	1.7
85.02907	2.2
109.82188	1.6
112.89614	27.6
114.89309	7.9
121.37630	1.8
154.77754	1.8
196.03720	100.0
196.09615	2.5
208.01234	2.2
246.29115	1.6
251.65649	1.9
296.66739	1.8
310.42493	1.6
358.09018	75.4
358.25351	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	357.3001
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03957	5.4
54.51762	3.7
55.01875	4.0
55.05519	67.2
57.03432	11.0
57.07087	43.6
59.71202	3.6
61.73249	3.8
62.94320	3.5
67.05511	71.3
67.05865	5.0
69.07075	83.4
70.06605	6.6
71.03773	3.3
71.04995	9.6
71.08633	19.6
71.60356	4.9
79.05515	50.9
81.07063	97.7
83.04964	5.4
83.08628	60.7
85.06551	5.3
85.10197	10.3
87.04480	8.5
88.07648	6.2
91.05500	10.5
93.07059	60.7
95.04999	6.1
95.08622	87.1
97.06545	25.1
97.10184	38.8
98.04572	3.4
102.09203	4.2
103.03986	3.8
105.07050	10.3
106.08691	5.3
107.08605	47.2
109.10159	50.7
110.83870	3.6
111.08102	14.7
111.08779	3.6
111.11741	14.1
115.07613	5.6
119.08561	8.2
121.10155	100.0
123.11728	15.6
125.09641	11.3
133.10104	5.6
135.11711	72.4
137.13307	7.3
138.70477	3.4
139.11172	4.6
143.08632	5.5
145.10175	4.9
147.11803	3.6
149.13266	25.0
151.14861	6.4
153.12752	4.9
157.10120	5.6
163.14877	12.9
165.16417	5.9
171.11761	5.6
177.16446	10.2
185.09706	4.5
191.18034	4.3
195.17606	4.6
247.24246	63.7
265.25314	53.1
339.28961	42.0
357.28842	4.7
357.35501	41.8
358.36859	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	357.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52300	0.7
55.01868	2.1
55.05507	1.2
55.69853	0.8
57.03434	3.5
57.07058	0.7
61.02905	1.2
65.03939	1.6
66.92779	0.7
67.05503	3.0
67.68571	0.8
69.03437	5.0
69.07074	1.7
70.06605	1.4
70.55941	2.0
70.56266	0.8
71.01369	1.5
71.04992	1.1
72.08143	0.9
73.02921	3.6
79.05492	3.1
81.03415	1.9
81.07051	4.5
83.04961	0.8
84.81193	0.7
85.02907	11.4
86.09706	1.2
87.04471	1.8
89.03925	2.1
91.05480	6.6
93.07050	10.8
95.04980	1.8
95.08621	3.5
97.02927	6.3
97.06543	1.8
101.02395	3.2
103.05486	1.5
105.07034	13.5
107.08601	37.6
109.02863	2.2
109.06458	1.5
109.10135	4.6
113.02380	2.6
114.58588	0.7
115.03948	1.6
115.05495	0.9
116.04993	6.8
119.08578	10.5
120.08133	1.0
121.06464	2.0
121.10139	6.6
122.03671	1.2
122.06035	1.7
123.04458	1.1
123.08078	1.0
123.11673	1.5
125.02387	2.0
131.04999	1.0
131.08591	2.4
133.06514	1.0
133.10139	34.0
135.04413	1.5
135.08070	1.3
135.11681	1.5
136.07542	1.4
137.05991	12.3
137.09625	2.3
139.07523	2.3
143.03412	2.8
143.08586	2.6
144.04445	13.4
145.04971	1.0
149.09619	5.3
149.13168	0.9
151.03897	1.8
151.07550	1.5
151.11200	8.5
153.06998	1.5
153.63292	0.8
160.05272	1.0
161.04439	1.8
161.05968	1.3
161.09647	12.0
162.05525	4.4
163.07573	1.9
165.05638	1.0
165.06963	1.1
166.08693	1.5
167.07079	1.6
167.10684	13.5
167.69102	0.9
172.03941	45.1
174.72270	0.8
177.12675	1.1
179.10690	32.9
181.06476	5.6
181.57239	0.8
183.08066	1.7
189.07025	0.9
195.08195	0.9
197.11743	100.0
198.12076	1.5
199.14909	0.9
204.06572	65.1
205.06718	2.2
207.08124	1.3
207.10106	2.0
208.05304	1.0
208.67589	0.8
209.06012	3.2
210.06795	1.1
213.05515	1.2
221.06001	3.4
223.07480	1.1
225.05431	0.9
225.11240	18.9
227.07008	4.4
229.04834	0.9
235.07585	2.3
236.04695	2.1
237.05467	4.6
239.12827	2.7
249.05426	1.2
250.06142	0.8
251.03369	1.4
253.08597	2.4
255.06500	4.3
265.04993	4.7
267.06546	3.3
269.04434	1.5
279.06552	1.4
281.08011	2.6
283.06015	28.9
284.06335	1.3
293.04510	2.9
295.05969	4.7
297.03879	2.3
307.05865	1.4
311.05493	5.9
327.12213	1.2
339.04932	1.2
339.08740	2.2
339.13550	1.0
357.06067	9.6
357.15088	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	357.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.2
55.01872	22.5
55.05507	23.1
57.03435	15.3
61.02920	8.5
65.03934	4.9
67.05168	7.3
67.05509	99.9
68.99784	14.2
69.03437	92.3
69.07069	17.9
69.89723	17.2
69.90128	10.9
70.06601	7.1
71.04974	4.9
73.02885	5.2
79.05488	53.3
81.03426	50.5
81.07056	66.7
83.04984	15.9
83.08628	7.9
85.02898	49.0
85.06541	20.8
86.09697	10.6
87.00829	23.6
91.05471	61.7
93.07061	42.7
95.04970	21.9
95.08618	42.5
97.02898	26.0
97.06533	10.1
98.20817	8.9
99.04445	10.4
99.08092	11.8
101.84015	4.9
103.03986	9.9
103.05490	11.5
105.01861	6.3
105.07022	53.8
106.04170	12.6
107.04949	21.1
107.08600	42.5
109.02876	17.5
109.06533	18.5
109.10162	38.5
111.04452	12.0
111.08105	9.5
115.05464	11.1
117.07063	15.0
119.04958	15.3
119.08595	16.8
120.18347	5.6
121.06502	27.4
121.10148	18.5
122.03614	6.1
123.04435	13.5
123.08090	9.5
123.11665	7.6
125.09608	14.0
127.03938	27.5
129.01874	7.4
129.07025	11.6
131.04929	14.7
131.08549	21.6
133.02882	7.3
133.06494	30.8
133.10121	32.5
135.08060	17.4
135.11699	16.3
137.05984	37.3
137.09622	24.2
143.08553	9.6
145.06418	8.4
145.10132	16.7
147.04419	24.9
147.08061	8.9
147.11707	7.1
149.02353	5.9
149.05997	48.1
149.09636	20.2
151.07529	11.7
151.11119	26.5
153.05464	11.9
157.06506	5.8
157.10004	7.9
159.02791	5.0
159.08035	10.1
161.06020	29.8
161.09630	12.6
162.06862	5.8
163.03931	7.3
163.11122	6.4
165.05544	7.8
167.07077	14.8
167.10730	6.3
171.11726	8.8
173.09576	7.3
175.07491	12.0
175.11142	8.9
177.05507	61.4
177.09125	10.3
179.07094	10.0
179.10683	20.1
181.06532	7.9
189.06992	5.6
189.12723	9.8
191.10629	5.0
193.12332	5.4
197.11769	32.7
199.11168	9.4
205.06664	7.4
217.12273	22.3
235.13348	21.6
237.05461	7.1
253.14462	7.4
255.06744	7.4
265.05127	8.1
267.06528	5.6
276.09143	4.6
281.08139	9.8
283.06039	23.7
285.51721	5.8
293.04654	9.3
295.06079	6.9
307.09662	6.8
311.05649	14.7
313.12518	17.1
321.13287	11.9
339.08621	10.6
339.14221	8.3
357.06708	9.7
357.11530	100.0
357.15381	9.8
357.20142	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	357.1335
Annotation	Horsfieldin
Peak:m/z	Relative Intensity
53.03938	0.4
54.51301	0.2
55.01855	0.3
65.03939	0.5
66.04739	0.3
67.05497	0.7
69.03424	0.4
69.07051	0.4
70.06590	0.3
71.02537	0.2
71.59914	0.3
79.05501	1.2
80.64830	0.2
81.03424	0.4
81.07053	0.5
81.52843	0.2
83.08620	0.2
85.02924	0.3
86.09699	0.2
91.05495	0.9
93.07047	0.7
94.04177	2.5
95.04956	0.6
95.08624	0.5
97.02908	0.2
99.04496	0.3
103.05463	0.2
105.07040	0.5
107.04954	0.6
107.08571	0.5
108.02074	0.3
108.08147	0.3
109.02898	0.5
109.06549	0.3
111.04449	0.4
115.05451	1.7
116.98540	0.2
117.07037	1.3
119.04975	0.2
119.08572	0.3
121.20283	0.2
122.03653	7.6
122.05978	0.2
123.04510	0.3
127.03963	0.3
131.04945	0.4
131.08603	0.3
133.10062	0.3
135.04436	0.4
135.08040	0.2
135.11703	0.7
136.07559	0.4
137.05984	100.0
138.06317	1.4
141.05464	0.5
143.04930	7.2
143.08482	0.2
145.02829	0.4
145.06487	0.6
146.51274	0.2
148.03935	0.7
149.13223	0.2
151.03923	13.4
151.05038	1.4
153.05476	0.3
157.06448	0.3
159.11685	0.3
160.05202	0.3
161.06030	0.3
162.05417	0.2
163.03955	0.3
166.04997	0.3
167.07082	1.9
172.03937	0.6
175.07565	1.6
176.03468	0.9
177.05461	0.2
181.06493	0.4
191.07080	0.3
203.07014	2.2
204.06505	1.1
205.06708	0.3
205.08578	2.7
207.08118	0.4
217.06516	0.2
218.07327	0.3
222.03998	1.7
222.07538	0.2
235.07681	0.7
237.05513	0.3
238.06323	0.3
249.05589	0.3
249.09178	0.2
251.07132	0.5
252.07516	0.2
253.08609	0.3
263.07101	0.3
265.05154	0.2
265.08612	0.3
267.06888	0.2
267.10147	0.2
279.06549	0.5
279.10266	0.2
281.08078	0.7
283.06174	0.4
283.10754	0.6
293.08063	0.3
311.05603	0.3
311.09805	0.3
321.11212	0.2
325.10580	1.0
327.12277	11.3
329.11578	0.4
339.08688	0.5
339.12802	0.4
357.13397	19.4
357.18338	1.0
358.13589	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	357.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73223	1.0
56.52678	1.0
63.62986	0.9
69.23792	12.3
70.06581	3.9
72.08154	1.9
75.14094	1.0
78.32584	1.1
82.74638	1.1
84.08147	1.4
86.09731	1.6
137.02382	1.3
152.06183	2.4
153.07010	6.7
157.25403	1.3
163.05452	2.7
165.07011	13.0
176.06206	3.1
177.05548	1.2
177.07030	4.6
181.06497	10.6
183.04427	2.4
191.04999	7.2
193.06552	7.6
195.04327	1.6
197.06015	4.7
205.06506	8.8
209.05975	11.9
210.06731	3.2
211.07578	11.8
213.05460	2.7
219.04425	4.8
221.05988	46.1
222.06468	2.6
223.03970	2.3
223.07605	5.5
225.05515	3.3
227.07095	2.7
229.04971	37.6
233.06084	5.3
237.05472	52.6
238.06059	3.4
239.07025	11.2
243.06578	1.8
247.03900	6.1
249.05481	33.2
251.07083	3.7
253.04968	3.6
255.06499	10.9
265.04959	40.7
266.05609	3.8
267.06528	27.2
269.04434	2.9
271.06015	1.5
275.03201	1.8
277.05096	5.5
283.06024	86.5
284.06320	2.6
293.04443	49.0
294.05090	4.3
295.06006	22.3
297.03967	9.2
303.03000	1.2
311.05493	100.0
312.05975	2.6
313.06989	2.5
321.03946	16.5
331.80099	1.3
339.05008	59.1
340.05344	1.5
357.06049	88.8
358.06311	3.5
358.14850	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	357.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81665	1.2
53.03951	15.6
55.01868	5.8
55.05513	2.0
57.03424	1.8
61.02906	1.6
65.03925	2.2
67.01862	2.6
67.05495	2.5
68.99810	7.4
69.03088	2.3
69.03435	35.2
70.69698	2.4
70.70052	3.3
71.01351	2.9
71.04985	5.7
73.55383	1.3
79.05506	3.3
81.03423	55.9
81.07084	2.2
83.04982	6.0
85.02921	15.2
87.00830	10.7
91.05470	5.8
93.03369	1.9
95.01320	4.0
95.04971	6.4
97.02899	17.8
98.20740	1.7
99.04469	10.3
103.05482	1.4
105.01891	1.4
105.07033	3.0
107.04948	1.8
109.02887	100.0
110.03677	3.0
111.04433	8.1
119.04919	2.5
121.02877	1.6
122.03599	1.5
123.04406	9.9
125.02344	8.5
127.03922	67.8
129.01840	3.9
137.02341	2.1
137.05960	8.1
139.03903	4.2
147.02867	2.1
147.04350	2.1
148.24617	1.3
151.03889	10.3
159.35159	1.5
161.05980	3.0
163.03935	3.7
165.05482	3.9
169.05086	1.5
171.04196	1.6
180.14456	1.7
181.55611	1.4
189.05467	3.3
193.04976	6.0
204.06522	1.5
205.05051	2.0
207.06468	1.9
213.03915	3.5
217.04996	1.5
222.89532	1.5
231.05022	2.3
235.06046	4.9
253.06979	2.3
271.08069	4.2
304.89252	1.5
325.10599	1.4
339.07443	2.2
357.08304	4.1
357.13358	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	357.0607
Annotation	Demethyltorosaflavone D
Peak:m/z	Relative Intensity
54.67538	0.8
69.23786	9.4
70.06604	1.0
77.20142	0.8
99.65784	0.8
108.01225	0.8
126.60480	0.8
139.05353	0.8
141.07022	1.9
152.06189	2.1
153.07005	6.4
155.04939	1.6
155.08505	1.4
163.05434	3.3
165.07002	14.1
169.06544	1.4
175.05374	1.1
176.06201	2.8
177.06975	5.3
181.06479	10.1
183.04395	1.1
183.08014	1.3
185.06004	0.9
191.04935	5.6
193.06488	7.1
197.05952	4.7
205.06476	9.2
209.05981	11.3
210.06775	1.4
211.07532	12.3
213.05553	2.1
219.04337	4.1
220.05112	1.3
221.05983	43.6
222.06548	1.7
222.24072	0.8
223.03885	1.5
223.07523	6.5
225.05466	3.9
227.07060	2.7
228.04315	1.3
229.04959	32.9
230.05327	1.5
233.06041	4.7
237.05484	52.9
238.06042	2.0
239.07100	10.2
241.05022	1.6
243.06572	2.2
247.03918	5.5
249.05475	31.7
250.06212	1.8
251.07100	4.9
253.04922	3.1
255.06561	12.3
265.04968	34.0
266.05539	4.5
267.06512	23.4
267.09387	1.0
268.07190	1.2
269.04437	2.7
271.06143	1.6
277.04984	6.0
283.06018	81.3
284.06329	2.4
293.04459	48.2
294.04996	3.1
295.06042	17.6
297.03891	7.6
303.02670	1.2
311.05499	100.0
312.05838	3.0
313.07086	3.2
321.03964	14.7
339.05005	60.3
340.05301	2.4
357.06046	86.9
358.06329	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	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
52.11333	2.6
55.01877	5.5
55.05517	41.5
57.03454	13.5
57.07081	18.8
64.03969	2.7
67.05508	84.2
69.07069	44.4
69.26553	4.7
69.26955	21.1
71.08627	7.2
72.08154	2.6
79.05497	30.4
81.07063	100.0
83.04984	3.5
83.08626	32.0
85.06530	4.7
91.05437	19.6
93.07054	35.5
95.08612	91.7
96.08613	2.7
97.06531	14.5
97.10191	17.0
99.08083	3.3
105.07024	17.6
107.08604	23.8
109.06478	4.5
109.10164	42.9
111.08083	6.2
111.11716	7.2
119.08588	18.4
121.10147	29.0
123.08081	3.0
123.11703	21.7
125.09648	2.6
129.05486	8.5
133.10129	19.6
135.11688	16.7
137.13245	10.8
147.11682	14.4
149.13309	12.0
151.14795	6.4
161.13251	13.5
163.14830	14.9
165.12843	2.8
165.16437	4.6
167.14355	3.7
175.14850	10.5
179.17989	3.0
189.16412	5.3
203.17955	2.7
206.78455	2.5
245.22649	40.7
263.23694	42.1
337.27368	29.8
355.06873	3.3
355.24146	5.6
355.28287	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	356.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01864	6.7
57.03428	7.2
61.02928	8.4
68.99789	2.7
69.03435	39.0
70.06586	5.6
71.04972	4.7
71.31416	3.1
73.02906	5.3
73.04751	1.8
73.06574	15.4
74.04710	1.8
81.03422	23.6
85.02912	100.0
86.22842	1.7
87.00838	51.0
91.05785	2.6
91.26658	1.6
97.02906	31.5
99.04448	12.7
105.01877	80.7
109.02886	27.3
117.01832	2.6
127.03922	69.8
129.01837	2.4
145.04967	24.8
147.02821	1.8
159.02911	10.5
160.50412	1.9
181.06493	4.0
185.05931	4.6
189.03967	3.0
205.06395	2.4
209.06035	3.4
213.03825	2.4
221.05977	6.7
229.04977	19.2
231.04974	20.5
234.99002	2.0
237.05460	9.2
249.05721	8.0
265.04953	9.6
267.06500	3.9
283.06052	10.2
289.77481	1.8
293.04449	7.0
295.05997	2.1
311.05493	10.9
311.98087	1.5
321.03949	2.2
322.38324	1.5
339.04953	14.4
356.01349	4.1
357.05994	7.3
378.22797	1.8
379.79355	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	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.83629	4.4
55.05508	40.7
57.03451	8.3
57.07067	10.7
63.25473	4.3
67.05507	78.1
68.55524	4.9
69.07077	47.6
69.90741	19.3
71.08634	7.8
79.05478	29.4
81.07062	100.0
83.08619	42.3
85.44918	4.3
91.05473	22.6
93.07060	31.9
94.67703	4.1
95.08057	6.1
95.08613	89.7
97.06552	5.3
97.10189	23.4
105.07024	17.1
107.08593	19.6
109.10158	47.6
111.08114	8.1
111.11694	8.4
119.08562	15.4
121.10160	34.0
123.11710	19.2
133.10097	17.4
135.11693	16.8
137.13171	7.9
138.39667	4.4
147.11713	12.6
149.13213	15.5
151.14804	7.3
151.35451	4.3
152.92973	3.9
161.13252	18.1
163.14819	10.3
165.16331	8.7
175.14798	14.7
189.16406	6.4
206.25813	4.1
245.22693	59.9
258.13388	4.2
263.23688	52.7
337.27368	31.4
355.28375	11.5
356.35126	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05266	2.7
55.05517	30.4
57.03429	7.5
57.07067	10.9
58.13404	2.6
59.13599	2.3
65.03944	2.2
67.05507	77.9
69.07070	42.6
69.66679	2.6
70.84029	6.7
71.08635	8.3
71.99628	2.4
72.08170	4.3
79.05489	33.6
81.07059	100.0
83.05007	4.5
83.08618	31.4
85.06531	4.3
85.10186	3.3
91.05482	20.8
93.07043	30.2
95.08607	82.0
97.06544	11.4
97.10172	24.0
99.08096	4.0
104.51736	2.2
105.07026	15.4
107.08598	23.9
109.10153	50.6
111.08089	6.8
111.11739	5.7
119.08561	17.0
121.10152	33.4
123.11721	24.8
133.10123	20.1
135.11722	15.9
137.09624	3.7
137.13284	11.6
139.11232	2.8
147.11691	13.5
149.13234	18.5
151.11177	3.0
151.14832	8.3
161.13258	16.7
163.14778	16.3
165.16376	7.4
175.14850	10.3
179.17972	5.5
184.16844	2.3
189.16440	8.0
194.59464	2.5
245.22664	54.0
245.66838	2.7
263.23703	53.5
265.25140	2.4
337.27426	28.8
338.34119	3.0
355.28525	4.9
356.35226	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	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
51.16926	0.5
52.01960	0.6
55.05515	11.0
56.05028	2.0
57.05812	2.1
57.06826	1.0
57.07082	14.1
58.02959	1.5
58.06604	15.1
58.39809	0.7
60.04520	2.1
63.89614	0.7
65.03937	0.7
67.05507	7.9
69.07074	21.2
70.02946	2.9
70.06590	7.8
70.77707	1.0
70.78075	1.4
71.04990	2.5
71.08640	8.7
71.17465	0.7
71.56232	0.6
72.04510	2.3
74.06082	2.7
79.05502	2.3
81.07063	14.0
82.06584	1.9
83.04989	1.5
83.08622	12.2
84.08152	6.1
85.06537	1.0
85.10179	4.4
86.06071	4.8
87.06844	1.5
88.45054	0.6
88.84711	0.6
93.07029	2.0
95.08614	17.3
96.08154	1.0
96.08945	0.7
97.06548	1.3
97.10168	8.5
98.06109	0.8
98.09684	1.6
100.07648	0.8
105.07062	1.1
107.08589	1.2
108.08119	0.8
109.06509	0.9
109.10179	8.0
111.11731	4.7
111.48633	0.6
112.07616	0.9
119.08585	1.0
121.10148	0.7
123.08085	1.1
123.11710	4.7
125.13274	1.2
126.09111	0.7
133.42375	0.6
135.11743	0.6
137.13213	1.5
151.14795	0.7
166.33421	0.7
172.77423	0.6
268.30164	1.5
294.31598	2.9
306.31522	3.4
307.30038	2.9
308.33154	4.2
318.31485	1.1
326.34201	4.2
336.32602	13.7
337.31247	1.5
354.33682	100.0
355.33911	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	355.2845
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
53.03943	5.0
55.05516	71.5
57.03443	28.5
57.07071	12.4
60.81078	1.7
62.85720	1.7
65.03951	3.8
65.09811	1.7
67.05507	89.2
68.05839	3.6
69.03397	1.7
69.07073	87.8
70.06595	3.1
70.97387	4.3
71.04989	6.6
71.08630	5.2
73.04736	2.8
79.05501	32.6
79.05954	2.2
81.07063	100.0
82.07410	4.2
83.04994	3.3
83.08624	60.4
84.27070	1.7
85.06541	4.8
88.07632	4.4
91.05408	13.3
93.07050	29.4
94.07392	2.4
95.04971	2.4
95.08612	87.2
97.06548	11.7
97.10174	35.3
105.07033	15.9
105.58765	1.9
107.08597	18.9
109.06525	2.5
109.10163	36.4
109.96424	1.8
111.08102	6.5
111.11711	9.5
119.08586	14.1
121.10145	20.4
123.08080	2.5
123.11709	17.1
125.09615	3.2
133.10155	10.9
135.11702	15.1
137.09598	3.0
137.13298	3.4
139.11163	2.6
147.11737	9.9
149.13283	10.2
151.11171	3.0
153.12767	3.7
161.13260	7.2
163.14801	8.6
165.12759	3.3
167.14276	2.8
175.14853	3.2
181.15755	2.6
189.16452	2.3
205.15724	2.1
245.22610	5.5
263.23688	11.9
278.80225	2.2
285.01053	3.1
337.27371	7.0
355.06830	2.6
355.28430	98.7
355.33948	32.8
356.15482	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	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01876	4.6
57.03431	4.6
61.02916	6.2
61.43527	1.2
61.77492	1.2
64.87238	1.4
68.99809	1.4
69.03436	33.9
70.07853	1.3
70.54562	4.4
71.05010	3.1
73.02937	7.9
73.64639	1.3
81.03429	23.3
85.02915	100.0
87.00845	44.3
91.03964	2.1
97.02908	28.6
97.84990	1.3
99.04454	15.3
101.02387	1.4
105.01881	71.1
108.04467	2.2
109.02897	25.8
112.36941	1.4
115.03847	1.4
117.01876	1.6
119.54719	1.3
127.03933	72.3
129.01860	4.9
136.59573	1.3
144.89174	1.4
145.04974	32.0
146.07570	1.4
147.02933	1.9
159.02914	13.1
181.53523	1.4
182.77115	1.3
189.03993	3.9
189.35504	1.4
213.03958	1.8
231.05009	17.9
249.06194	4.2
315.67245	1.4
354.14545	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	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01873	5.4
57.03438	5.3
61.02923	6.4
69.03437	38.5
69.44248	7.7
69.44675	7.0
71.04996	5.1
72.68148	1.8
73.02917	4.3
75.10618	1.9
81.03416	21.3
81.03850	1.9
85.02912	100.0
87.00835	47.1
87.01345	3.6
93.07034	1.8
97.02896	29.9
98.21462	4.3
99.04447	14.5
101.02384	1.8
105.01878	76.5
109.02888	25.7
117.01840	2.3
126.05487	2.5
127.03927	69.1
129.01863	2.9
144.57779	2.1
145.04980	32.9
159.02881	11.4
189.03946	4.3
231.05046	22.2
249.06094	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	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.7
55.93526	7.4
57.03433	4.2
60.20684	1.4
64.18143	1.3
66.20435	1.1
67.05499	2.4
69.03423	3.6
69.95361	6.2
70.06580	5.2
70.51780	1.1
71.04995	6.9
71.06895	1.2
71.93041	1.3
72.00581	1.2
72.93797	3.5
72.98155	1.2
73.02908	5.0
73.04739	1.5
81.03406	3.6
84.08144	4.9
85.02901	5.0
85.06532	6.0
86.09689	1.7
88.30556	1.2
90.94840	1.9
91.05800	3.8
95.04984	7.9
97.02890	5.2
97.06538	1.8
98.81443	1.2
101.02383	18.1
105.03418	1.7
109.02891	2.2
111.08072	2.7
113.06008	100.0
117.07020	1.7
121.02901	6.9
121.53236	1.2
127.90683	1.0
131.04921	4.0
131.07042	32.7
132.95923	1.8
136.06264	1.2
139.07530	5.7
144.95901	1.5
146.06020	17.9
157.08592	7.6
158.05881	1.6
158.97420	1.6
165.75287	1.3
165.97137	13.4
174.05516	5.7
175.09686	4.2
181.96594	1.7
183.98209	9.0
188.07080	8.8
192.06500	8.4
194.97398	3.5
199.97884	1.6
201.99242	2.1
205.08676	2.2
210.96883	11.6
211.97600	1.5
212.98521	2.8
215.97050	1.6
227.97220	12.3
228.97939	8.5
233.96159	9.4
242.57751	1.2
246.96889	2.1
251.97229	6.2
252.97943	4.3
255.96585	1.5
259.97635	4.2
263.97150	2.5
265.98718	2.6
277.98816	4.7
278.99359	2.5
289.98798	2.0
293.98227	1.3
337.00085	3.7
354.00372	19.4
355.01175	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	354.1184
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
52.03568	0.4
53.03929	0.5
55.01890	0.4
59.51073	0.3
61.02918	0.6
67.05520	0.5
69.03438	2.4
70.06567	1.0
71.04959	0.3
71.10896	0.8
73.02899	0.9
75.34196	0.3
79.05489	0.5
81.03413	1.1
85.02905	3.1
87.04450	0.6
91.03924	0.5
91.05457	2.9
94.06567	5.2
95.04960	0.9
97.02882	1.6
101.22044	0.3
101.60120	0.4
105.03362	0.6
107.05000	0.3
117.05761	0.6
118.06539	6.9
119.04916	0.4
122.06028	4.9
127.03900	0.9
134.05998	1.0
136.07623	0.5
145.05109	0.5
146.06012	19.0
147.04445	0.6
147.06783	1.1
150.05499	1.5
160.05078	0.7
162.05516	1.0
164.07076	7.2
164.31189	0.3
174.05513	100.0
175.05894	1.9
176.07094	1.3
188.07103	1.3
192.06552	53.2
193.06841	0.6
234.07550	0.4
234.98967	0.6
336.10797	1.6
354.11847	45.5
355.12302	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68890	2.3
55.05513	15.8
57.03435	5.3
57.07075	4.5
59.22745	2.5
67.05506	90.3
68.32260	2.6
69.07083	16.0
69.89951	11.1
73.85566	2.3
76.11571	2.4
79.05498	52.9
81.07062	100.0
83.08619	9.8
85.06571	4.3
91.05482	26.1
93.07049	62.6
95.08611	72.0
97.10193	4.6
105.07040	17.6
107.08602	44.3
109.10159	38.5
117.07047	8.4
118.45925	2.6
119.08588	20.6
121.10136	35.0
123.11714	22.7
124.77409	2.7
131.08582	25.5
133.10139	15.2
135.11731	31.5
137.13269	8.0
145.10179	14.1
147.11703	11.7
149.13257	22.2
151.14894	2.6
159.11684	17.7
161.13254	9.8
163.14809	12.1
173.13278	21.0
177.16422	5.8
187.14838	8.9
201.16393	2.9
205.15974	3.7
233.22661	6.0
243.21114	27.6
261.22168	96.5
262.22446	3.2
279.23175	5.7
311.09769	3.0
335.25836	5.9
353.26923	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.77817	1.9
53.03944	3.3
55.05517	17.3
57.03448	4.8
57.07085	6.3
62.69548	2.2
67.05509	93.3
68.06459	2.0
69.07076	20.0
69.55562	3.8
69.55973	11.8
71.04993	3.3
77.99533	2.3
79.05495	44.7
80.80993	2.3
81.07065	100.0
83.08619	9.2
85.50095	2.3
91.05491	23.9
93.07053	51.9
94.48795	2.1
95.04975	6.0
95.08617	68.8
97.06549	6.1
97.10146	2.6
97.24067	2.2
99.08082	3.7
105.07037	22.5
107.08609	40.7
109.06522	6.5
109.10168	34.0
117.07009	11.4
119.08595	18.7
121.10159	30.1
123.11728	22.5
131.08582	21.8
133.10146	14.8
135.11700	26.2
137.09624	3.0
137.13278	6.2
145.10141	18.9
147.11674	13.1
149.13284	22.1
151.14828	2.9
153.12732	3.2
159.11716	16.8
161.13246	12.0
163.14839	12.1
173.13274	18.8
175.14816	5.3
177.16389	6.1
180.93091	2.7
184.30559	2.4
185.13258	2.3
187.14841	7.8
189.01727	2.4
191.14372	2.2
201.16336	4.2
210.18494	2.7
243.21111	21.9
261.22162	86.9
262.22452	3.6
263.95969	2.3
279.23193	3.8
325.14456	3.2
335.25916	10.0
351.19577	2.5
353.27319	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03956	2.5
55.01902	0.9
55.05514	16.3
57.03446	6.5
57.07073	3.9
62.25706	0.6
65.03953	2.9
67.05511	100.0
68.63162	0.6
69.07074	15.1
71.05003	2.8
71.08640	1.6
71.59271	1.0
75.04480	1.5
79.05499	41.1
81.07064	96.7
82.07413	1.6
83.04987	1.4
83.08625	7.8
85.06559	2.3
91.04903	0.7
91.05051	0.4
91.05488	22.2
93.07053	52.4
95.04990	1.9
95.08614	76.0
97.06540	2.9
97.10164	3.6
99.08109	1.8
105.07045	17.2
107.08605	32.2
109.06548	1.0
109.10167	34.3
111.08078	2.6
113.09659	1.2
117.07030	8.9
117.54215	0.9
119.08601	12.8
121.10153	27.8
123.08096	1.6
123.11717	19.9
125.09666	1.3
131.07591	0.9
131.08582	18.1
133.10152	12.9
135.08084	0.8
135.11703	21.9
136.12073	0.7
137.09625	2.4
137.13278	7.4
139.11189	1.7
145.10138	13.5
147.11697	9.8
149.13274	17.1
151.11221	1.0
151.14807	2.0
153.12692	0.7
159.11693	12.2
161.13280	7.9
163.14845	10.7
165.12712	1.3
165.16408	0.8
171.85811	0.7
173.13281	12.6
175.14827	3.2
177.12781	1.1
177.16409	4.8
179.14337	1.6
187.14827	8.9
189.16359	1.1
191.14444	0.9
201.16420	2.7
205.15758	1.1
215.17947	0.9
219.17520	1.3
233.22638	3.4
243.21115	18.8
261.22165	72.1
262.22476	2.2
279.23203	6.3
311.34525	0.7
317.24677	0.9
335.25836	9.2
353.26987	16.9
354.27417	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
55.05512	13.8
57.03437	4.9
57.07082	3.4
60.00791	2.0
61.70904	2.2
67.05511	80.2
69.07072	11.1
69.90726	9.4
69.91145	3.1
70.20598	1.7
70.71043	1.9
71.04973	2.7
73.93878	1.8
79.05497	43.7
81.07065	92.2
83.08621	7.2
84.70367	2.0
91.05482	22.4
93.07050	56.1
93.27812	2.1
95.05000	2.8
95.08613	61.0
97.06539	2.7
97.10167	4.1
99.08080	2.6
105.07043	15.1
107.08601	39.1
109.10169	32.2
111.08115	2.6
112.78674	1.9
113.09669	1.7
114.62549	1.9
117.07021	9.7
119.08614	12.6
121.10145	31.5
123.11739	21.6
131.08563	18.3
133.10147	14.5
135.11697	31.4
137.13286	6.2
145.10147	13.6
147.11707	10.3
149.13264	19.3
159.11713	14.6
161.13272	10.4
163.14789	12.8
164.45319	2.0
173.13293	14.9
175.14871	2.4
177.12816	2.3
177.16496	4.7
187.14870	10.7
228.74998	2.1
233.22614	5.5
243.21121	26.5
261.22159	100.0
262.22629	4.4
265.32037	1.8
275.04581	1.9
279.23105	2.6
293.58200	2.0
335.25665	5.3
353.26962	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	3.6
55.05518	15.7
57.03430	5.7
57.07070	5.5
64.10810	2.1
65.03951	2.4
65.06276	1.7
67.05508	100.0
69.07076	15.8
71.05000	2.6
71.38651	3.0
79.05055	3.2
79.05494	38.9
81.06574	4.4
81.07060	91.9
83.08626	7.3
83.90734	1.9
91.05475	18.1
93.07050	48.7
95.04984	2.6
95.08612	72.5
97.06507	2.7
97.10175	2.6
105.07039	20.2
107.08598	36.0
109.10159	35.0
117.07016	6.7
119.08563	14.5
121.10153	27.1
123.11711	21.2
125.09577	2.7
127.81766	1.9
127.89685	2.5
131.08562	17.8
133.10117	14.2
135.11690	25.9
137.13249	9.1
145.10104	13.5
147.11682	12.5
149.13277	17.7
159.11734	13.6
161.13234	8.5
163.14868	11.0
173.13275	16.4
177.16412	5.9
187.14818	10.3
201.16351	2.3
233.22676	2.2
243.21101	23.1
261.22162	85.3
262.22412	2.0
271.39859	1.9
279.23355	4.8
297.30527	2.0
335.25879	9.0
353.26901	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23171	2.2
51.38921	2.0
53.03933	4.9
55.05510	14.4
57.03419	5.5
57.07077	4.6
60.09973	1.9
65.03935	3.6
67.05506	91.4
69.07070	11.1
69.52719	11.6
69.53120	3.1
71.04969	2.5
71.08612	1.8
77.03884	1.7
79.05492	45.1
81.07059	100.0
81.61030	1.8
83.08614	7.1
83.37140	1.9
85.06537	2.3
91.05479	23.9
93.06461	4.0
93.07043	66.0
95.04939	2.9
95.08611	67.9
97.10153	4.8
97.75382	2.1
98.21509	3.4
103.25766	2.1
105.07026	18.2
107.08601	40.8
109.06521	1.9
109.10165	33.7
110.27100	2.2
111.08067	2.4
111.11708	2.3
117.07044	9.4
119.08566	15.8
121.10141	34.4
123.08060	2.4
123.11711	18.5
127.51652	1.7
131.08571	20.1
133.10144	11.4
135.11702	27.2
137.09671	3.1
137.13260	8.5
138.36438	1.8
140.11099	1.8
145.10126	16.4
147.11697	10.0
149.13275	21.2
159.11688	13.0
161.13248	8.9
163.14828	14.1
173.13295	15.9
175.14845	3.2
177.16405	7.3
187.14909	11.2
187.16447	2.0
201.16359	2.3
204.35052	1.9
233.22682	3.9
243.21016	21.4
261.22150	88.9
262.22495	3.6
279.23273	2.4
335.25662	7.0
353.26898	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.34682	2.4
53.03943	2.9
55.05509	10.8
57.03428	4.4
57.07077	3.8
65.03959	2.6
67.05508	98.4
69.07061	11.6
69.86375	9.9
71.04971	2.7
79.05491	40.1
81.07064	94.4
83.08624	6.6
85.06517	3.6
91.05466	17.1
93.07045	49.6
95.04946	3.3
95.08614	71.6
97.10148	2.7
105.07062	13.8
107.08606	34.5
109.10161	39.1
112.39160	2.6
117.07025	8.2
119.08566	10.8
121.10148	31.7
123.11715	23.6
131.08580	19.0
133.10109	13.5
135.11707	23.4
137.13235	9.1
145.10132	15.6
147.11687	11.8
149.13290	19.9
159.11702	18.0
161.13283	12.0
163.14803	12.1
173.13246	19.0
177.16437	4.1
187.14853	9.6
191.14307	3.5
233.22795	4.0
240.95468	2.4
243.21103	24.8
261.22171	100.0
262.22711	4.2
279.23270	8.9
303.49939	2.9
317.24744	4.1
335.25943	17.5
353.26947	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	353.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.9
55.05502	1.8
57.03425	1.7
63.22178	0.6
67.05492	1.7
67.40498	0.7
69.03082	1.1
69.03433	16.4
69.07072	15.2
70.84464	1.0
71.04984	1.3
73.02921	1.4
79.05486	2.6
81.03403	2.0
81.07066	5.6
83.04990	2.8
83.08593	1.6
85.02428	0.8
85.02910	12.3
85.06543	1.4
91.05478	2.8
93.07054	3.9
95.08625	6.5
97.02872	2.6
97.06550	1.0
105.07024	4.6
107.04951	0.9
107.08606	9.2
109.06509	2.6
109.10174	0.8
111.08100	4.6
115.03917	0.7
117.07053	0.8
119.08601	4.4
121.06525	2.2
121.10166	5.9
123.08093	4.3
127.03901	2.7
129.06972	0.7
131.08571	8.8
133.06483	0.8
133.10139	7.4
135.08063	14.8
135.11713	3.4
143.08548	1.9
144.09360	0.7
145.10138	3.5
147.11679	4.1
149.09630	7.0
149.13222	2.5
158.10907	3.6
161.09579	0.7
163.14821	4.4
170.78276	0.6
171.11574	0.8
173.13275	17.1
191.14314	100.0
192.14677	1.8
209.15434	0.7
353.19601	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	4.1
55.01857	1.3
55.05263	1.6
55.05511	24.0
57.03190	1.1
57.03443	17.9
57.07083	2.8
65.03931	4.1
67.05507	98.3
69.06713	2.1
69.07070	21.9
70.20079	2.2
70.20432	2.9
71.04997	8.0
71.08614	1.1
74.36981	1.1
77.45011	1.0
79.05493	37.6
81.03437	1.3
81.07059	100.0
83.04983	2.1
83.08630	13.1
85.06547	5.5
91.04893	1.2
91.05483	20.5
93.06467	2.2
93.07049	38.6
95.04967	3.2
95.08609	70.1
97.06535	4.5
97.10185	5.7
98.42941	1.3
99.08065	3.4
105.06387	1.3
105.07035	15.3
107.08601	20.0
109.10157	28.7
111.08080	3.4
117.07010	3.5
119.08578	12.1
121.10134	17.8
123.08083	2.9
123.11709	11.4
125.09580	1.1
131.08549	6.8
133.10135	9.6
135.11679	11.6
137.09595	1.7
137.13316	2.3
142.04477	1.0
145.10167	5.7
147.11690	7.4
149.09679	1.1
149.13249	5.6
159.11697	3.9
161.13243	6.1
163.11186	1.1
163.14862	3.1
173.13284	3.3
175.14839	3.0
177.16362	1.4
179.14316	1.7
180.13123	1.0
181.78625	1.1
187.14824	3.4
200.05080	1.0
201.16437	1.0
201.96777	1.0
212.01425	1.1
243.20984	2.0
261.22171	8.3
279.23538	1.7
335.25781	2.0
353.26886	44.3
354.27371	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	353.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	10.6
55.01859	4.3
55.05506	8.8
64.53122	1.7
65.03939	2.6
67.05500	9.9
67.41457	1.5
69.03430	15.7
69.07067	13.6
71.04989	8.1
71.59535	2.0
79.05135	1.7
79.05498	21.4
81.03423	52.3
81.07059	46.5
83.04985	12.1
83.08589	1.7
85.06551	3.3
91.05497	12.6
93.07051	47.3
95.04965	9.6
95.08612	10.7
97.02885	8.2
97.06540	9.8
99.04447	9.8
103.05496	3.5
105.07035	20.2
107.04940	5.2
107.08595	29.5
109.02885	47.2
109.06532	9.6
109.07159	1.8
109.10137	9.1
110.03661	9.2
111.04461	13.3
111.08065	2.9
117.07011	4.2
119.08616	10.0
121.06516	11.6
121.09322	2.2
121.10155	30.9
123.04424	6.4
123.08076	3.8
124.05188	2.4
125.02377	11.8
125.05988	2.5
125.97961	1.8
126.03133	2.3
127.03923	22.7
127.07587	2.3
129.07010	1.9
131.08537	3.6
133.06462	1.9
133.10117	5.1
135.08051	5.9
135.11702	8.5
137.05891	3.7
137.09586	6.4
145.10130	17.8
147.04407	6.3
147.11691	3.7
149.05974	4.8
149.09593	7.7
151.07509	3.4
161.05949	4.5
161.09601	5.2
163.07521	3.2
163.11191	41.0
165.09145	3.7
167.10684	11.0
169.08630	8.7
169.09932	2.4
172.03874	3.0
173.09566	4.4
179.10693	2.9
181.12219	9.8
185.11784	1.5
189.09035	2.1
191.00142	1.7
191.07074	3.7
191.10670	24.9
192.07718	2.0
201.08994	2.3
207.10201	1.7
209.11803	9.7
215.14279	1.6
227.12723	4.5
229.12120	2.7
237.10272	9.4
251.11790	1.7
257.11740	1.8
265.09668	6.4
266.53745	1.9
275.07166	1.7
279.11108	3.3
291.15747	3.0
293.09100	5.6
293.13806	5.0
317.14044	2.7
321.11237	2.0
325.11783	4.4
329.12381	1.7
335.10410	3.3
335.14810	7.8
353.11356	13.2
353.15897	100.0
354.16333	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	353.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38166	0.8
69.03345	0.9
69.06995	1.0
70.97169	1.3
71.70221	0.7
72.31232	0.7
78.04635	1.1
79.05364	4.8
81.03297	1.6
81.06973	1.6
89.66823	0.7
91.05333	2.3
93.06934	1.4
95.04859	1.2
95.08532	1.3
102.04598	1.2
103.05331	5.0
105.03318	0.9
105.06874	3.1
106.35285	0.6
107.04813	8.5
107.08475	1.6
109.02788	1.2
110.05473	0.7
115.05359	1.7
117.06910	1.3
118.04161	4.0
118.87184	0.9
119.04831	1.6
119.08489	1.1
121.06325	1.3
123.04263	1.9
124.05086	0.9
125.05923	0.8
128.06117	1.4
129.06894	1.6
130.04008	2.7
131.04942	9.7
131.08516	1.0
132.05573	2.6
133.02705	1.0
133.06334	2.3
133.10040	0.9
141.06937	1.2
143.47597	0.7
145.06325	1.2
145.09984	1.1
146.03456	1.0
147.04440	3.8
148.05109	1.8
152.04585	1.1
159.04274	1.6
159.07921	2.6
159.11551	0.8
159.34045	0.7
160.05144	0.8
161.05937	1.8
163.07494	1.1
167.04745	1.7
167.07053	23.8
168.05696	1.0
169.06416	0.8
171.07887	2.4
173.06003	1.4
175.07463	2.0
176.04709	6.4
177.05289	1.2
178.07619	1.3
179.06963	1.5
179.08560	0.8
184.05113	1.2
189.06984	6.3
190.07788	9.0
191.07033	52.4
191.08560	2.5
192.07564	2.9
199.07558	8.1
201.06938	0.8
202.07837	4.8
203.08562	7.6
204.09167	2.0
205.06412	0.9
205.10016	3.3
207.08086	3.7
214.07677	0.9
215.08591	10.8
217.06339	1.9
218.07301	14.8
219.06258	0.8
219.08037	7.7
220.08682	1.2
221.09583	1.6
229.06454	5.9
230.07133	1.6
231.08087	8.7
232.08876	7.0
233.09605	24.8
234.06741	1.2
234.10179	1.9
234.70921	0.7
235.07549	8.3
237.10063	1.0
242.07259	1.6
243.07971	5.2
244.08688	1.6
245.05937	2.0
245.09619	0.8
246.06772	10.9
247.07529	5.9
247.32423	0.7
248.08237	2.0
249.09209	5.2
250.09874	3.8
251.06873	0.8
257.06097	4.6
258.06616	2.3
259.07538	5.5
260.08334	9.1
261.09113	34.1
262.09814	4.3
263.06989	9.1
263.09790	1.1
263.52490	0.7
264.07605	0.8
265.12167	1.1
271.07474	1.5
272.08218	1.1
273.05698	1.1
273.09061	4.4
274.06287	10.6
275.06949	6.0
275.10611	2.8
276.07648	1.7
277.08612	7.0
278.06494	1.2
278.09354	12.7
279.10193	1.3
287.07031	1.1
288.07858	3.4
289.08609	62.5
290.09311	14.6
291.06479	4.2
291.10059	3.6
292.07208	2.0
292.10657	1.1
293.08868	1.2
293.11746	9.7
294.12448	0.9
295.09607	1.4
303.10098	2.8
305.08084	2.1
306.08881	15.5
307.09494	4.5
321.11218	100.0
322.11703	6.5
323.09103	2.4
325.14288	1.9
338.11533	1.7
353.13901	47.8
354.14371	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	352.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	14.3
56.05024	9.6
57.07078	6.1
58.02955	10.1
58.06605	6.4
60.04529	5.1
67.05507	57.8
68.05016	3.8
69.07068	20.6
70.06595	56.4
70.19426	12.9
72.66959	3.9
79.05496	30.9
81.07066	45.5
82.06579	20.0
83.04974	3.5
83.08606	8.2
84.04499	6.1
84.08138	6.3
91.05468	13.5
93.07047	36.3
94.06567	12.0
95.07347	3.6
95.08611	25.6
96.08122	19.4
97.10102	4.5
98.06055	4.8
105.07024	12.0
107.08573	14.1
109.10159	24.3
114.12808	9.5
117.07068	3.9
119.08606	7.7
121.10121	8.2
126.12798	50.6
127.77429	4.0
131.08585	4.3
133.10144	5.7
135.11658	6.7
145.10143	4.6
147.11671	4.9
154.12263	12.1
156.13889	4.2
161.13307	6.0
166.15970	35.4
180.13889	7.5
206.68097	3.6
212.16478	44.4
220.16986	14.4
240.15923	8.8
252.17000	3.7
252.19580	71.3
253.20006	3.8
287.31683	3.4
303.23236	5.4
334.27380	10.7
335.29520	7.5
352.28442	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	353.1022
Annotation	Rubiginone D2
Peak:m/z	Relative Intensity
53.03951	3.2
53.72892	0.8
67.05496	2.8
69.07092	0.7
70.97176	1.1
74.54010	0.7
77.03924	1.9
79.05064	0.7
79.05499	9.4
81.03419	0.8
81.07055	2.3
91.05475	2.1
93.07040	3.1
95.04994	3.9
95.08593	2.9
97.06526	0.7
101.80708	0.6
103.05482	1.3
105.03400	3.2
105.04531	1.3
105.07038	2.5
107.08582	2.2
109.10153	1.4
115.05475	2.9
117.07072	1.1
118.66839	0.6
119.08584	1.5
121.10154	1.6
123.11715	0.8
131.04915	1.4
131.08543	0.7
133.10139	1.0
135.04430	72.7
135.11743	1.4
136.04767	1.3
140.83374	0.7
143.04910	1.9
145.10133	1.2
147.04424	6.7
147.11731	1.3
149.02394	2.6
150.03185	0.7
155.04877	0.9
157.10150	0.9
159.04457	3.4
159.11754	1.1
161.05981	5.2
161.13339	0.8
163.03922	100.0
164.04205	1.3
169.63159	0.7
173.01157	0.7
173.05972	6.4
175.03925	9.5
185.06012	0.7
191.07111	0.7
191.08591	3.0
201.05498	8.2
203.08549	1.0
213.05560	0.8
215.75705	0.7
219.08089	6.0
220.08636	0.7
220.90828	0.7
247.07562	3.9
249.09070	5.8
250.76012	0.7
259.07578	7.1
262.06329	0.8
275.07050	1.1
277.08566	6.7
287.07056	1.7
305.08084	3.6
307.06274	1.8
307.09677	12.8
316.07623	1.6
317.04422	1.4
317.08109	21.6
318.08591	0.8
323.09161	0.8
335.09164	32.5
336.09479	1.3
353.10275	4.7
353.14178	1.1
353.24435	2.1
353.53979	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	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.3
55.01871	9.9
57.03445	6.5
61.02917	8.9
67.05515	4.9
69.03438	47.9
69.07071	21.0
69.93739	6.7
69.94156	11.5
73.02909	9.0
79.05502	4.7
81.03424	27.7
81.07054	8.8
85.02914	100.0
85.06556	6.1
87.00835	51.4
91.05504	7.6
93.07034	12.1
95.04993	3.5
97.02904	45.4
97.06564	5.0
99.04466	12.9
103.03939	5.3
105.01874	56.5
105.07049	4.0
107.08598	7.8
108.04491	3.7
109.02892	33.7
111.08087	15.4
119.08592	2.9
123.08095	3.4
124.07623	3.5
124.76999	3.0
126.05557	4.4
127.03937	76.4
129.01863	6.4
131.08559	6.8
135.08099	5.4
137.09584	4.4
145.04970	36.9
147.02905	3.8
147.08064	8.1
149.09717	3.3
151.07645	3.0
153.09128	12.5
159.02884	14.4
159.08073	5.7
165.09189	7.1
175.40918	2.8
177.09105	16.9
180.06654	4.2
181.06975	3.1
189.03979	7.5
195.10191	28.4
198.07539	4.2
211.59853	2.9
214.08485	2.9
231.05005	21.7
249.06096	6.8
281.10284	3.8
299.11505	4.5
363.02042	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
53.03953	10.1
55.01866	4.8
55.05512	28.3
57.03439	25.4
57.07072	3.2
64.99897	1.6
65.03937	6.0
67.05508	94.2
69.03433	1.6
69.07073	21.1
70.21337	1.4
71.04998	10.3
71.08624	6.2
71.17564	2.0
79.05497	100.0
81.03436	1.4
81.07060	95.3
83.04987	5.4
83.08625	9.8
85.06545	3.2
86.05574	1.3
90.82236	1.4
91.04910	2.0
91.05487	69.1
93.07049	87.0
95.04975	13.0
95.08611	53.9
97.06524	6.7
97.10172	4.9
99.08097	5.7
105.04537	3.7
105.07040	41.1
107.04930	1.5
107.08600	39.6
109.06517	5.9
109.10171	18.8
111.08095	3.4
115.05460	2.3
117.07013	10.6
119.08588	35.1
119.09889	1.8
121.09306	3.1
121.10150	42.8
121.56075	1.4
123.08104	2.8
123.11721	3.2
125.09604	1.7
128.73798	1.4
129.07002	6.3
131.08572	19.0
133.10138	29.5
135.08109	1.6
135.11697	29.6
137.05986	7.3
137.09648	2.6
139.11200	3.0
141.96820	1.5
143.08589	4.2
145.10123	14.1
147.11707	16.6
149.13257	8.6
151.11230	4.5
157.10176	4.5
159.11702	10.3
161.13271	9.9
163.11115	3.0
163.14799	2.0
165.12737	1.8
171.11775	6.5
173.13281	6.2
175.14882	4.7
177.12863	2.0
179.14383	9.4
185.13326	5.2
187.14812	1.5
195.11771	1.9
199.15059	1.6
228.05724	1.9
231.17525	1.7
240.82179	1.6
241.19484	3.8
259.20544	18.0
277.18463	1.5
277.21622	8.8
336.09076	1.7
347.54684	1.7
351.25378	52.9
352.25592	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.05519	19.0
55.41145	1.8
57.03440	7.9
57.07081	3.6
65.03954	2.9
67.05509	54.1
69.07077	21.3
70.03370	9.9
71.04991	4.7
71.08645	2.7
77.03896	1.8
79.05495	64.4
81.07065	56.7
83.04997	3.6
83.08632	8.5
85.06553	4.6
89.93505	2.1
91.05484	61.6
93.07052	92.0
95.04993	8.9
95.08609	40.2
95.09157	3.3
97.06552	3.6
97.10185	2.8
99.08108	4.6
105.04541	2.2
105.07034	60.7
107.08600	58.4
107.09275	4.3
109.06554	4.0
109.10168	18.2
111.08107	2.0
115.05513	2.9
117.07011	16.3
119.08589	52.4
121.06569	2.4
121.10157	39.9
123.08112	3.1
123.11749	4.3
123.83986	2.0
129.07022	10.9
131.07681	3.9
131.08571	27.0
133.10147	47.3
135.08051	3.5
135.11705	41.4
135.12689	3.1
137.09615	2.3
143.08553	9.8
145.10124	27.7
147.04459	8.1
147.08055	3.1
147.11697	48.1
149.09724	4.1
149.13277	30.8
156.09363	2.2
157.10126	12.2
159.11728	21.8
161.13274	36.0
163.11240	4.1
163.14803	11.9
171.11676	13.9
173.13316	11.5
175.11290	2.8
175.14847	20.8
175.16113	2.3
177.12828	4.3
183.11668	2.9
185.13266	15.1
187.14818	4.2
189.12848	5.0
199.14932	7.9
201.12978	3.1
213.16379	4.6
215.18016	3.3
217.19597	3.5
231.17654	4.5
231.21060	9.4
241.19537	38.5
259.20587	100.0
260.20956	2.7
277.09906	2.8
277.21823	14.7
333.24368	8.1
345.92871	2.0
351.25497	67.3
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
53.03945	5.3
55.01860	2.4
55.05299	1.8
55.05516	18.4
57.03418	5.6
57.07064	4.2
65.03933	3.4
67.05506	48.4
69.07063	14.9
71.04988	3.7
71.08627	3.3
75.04473	3.1
77.03924	2.1
79.05064	3.2
79.05496	53.6
81.03394	3.7
81.07057	47.4
81.28452	1.9
83.08607	7.6
85.06509	4.1
91.05484	64.0
93.07047	78.2
95.04958	6.6
95.08611	40.6
97.06507	4.2
97.10145	3.5
97.42149	1.7
98.21564	2.5
99.08088	8.0
103.05493	2.1
105.07034	66.1
107.08603	43.1
109.06504	2.8
109.10137	15.2
113.09621	2.5
117.07011	14.4
119.08590	58.5
121.10139	36.3
123.11709	2.6
125.63708	1.7
128.06204	2.9
129.07007	10.6
131.08574	23.8
133.10135	49.9
135.08022	1.9
135.11702	36.5
137.09618	2.1
143.08556	12.2
145.10101	27.2
147.04381	6.4
147.11691	47.3
149.09569	3.8
149.12148	2.8
149.13260	24.3
151.11110	2.2
156.09344	1.8
156.44911	1.8
157.10161	11.4
159.11714	23.1
161.11981	2.8
161.13278	38.0
163.11140	3.4
163.14818	6.7
169.10349	2.0
171.11673	12.1
173.13321	10.6
175.14806	19.6
177.12787	2.4
179.14246	2.5
185.13284	16.1
187.14818	4.1
189.12733	4.4
189.16411	2.5
191.14340	2.1
199.14771	9.4
203.14241	2.3
213.16428	5.5
215.18018	2.9
231.17456	5.2
231.21092	6.7
241.17146	3.5
241.19482	30.7
259.20578	100.0
260.20795	2.4
277.21570	7.7
333.24463	2.7
351.25378	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01863	2.7
55.05511	16.7
57.03429	5.9
57.07071	2.3
65.03934	3.1
67.05507	48.6
69.03398	2.6
69.07070	15.7
71.05008	2.8
71.17847	4.5
73.43359	1.8
79.05499	69.0
81.07060	57.5
81.07523	3.9
83.08627	7.7
83.86507	1.8
85.06547	3.7
91.05486	51.9
93.07049	98.8
95.04983	6.0
95.08608	39.1
97.10179	4.0
99.08106	2.8
105.07035	59.7
107.08601	54.0
107.65032	1.9
109.06545	2.1
109.10171	15.0
113.09663	2.0
117.07018	17.5
119.08578	55.8
121.10149	43.6
121.11025	2.4
123.11714	4.4
129.06996	9.9
131.08557	24.2
133.10136	49.3
133.11072	2.7
135.08054	2.8
135.11703	51.5
135.12712	3.3
143.08588	10.5
145.10132	25.1
147.11696	54.2
149.09619	3.4
149.13261	29.2
151.11214	2.3
157.10161	7.3
159.11708	18.8
161.13263	34.6
163.11235	3.3
163.14847	10.9
171.11691	14.3
173.13292	9.3
175.11240	3.0
175.14815	16.9
185.13251	10.6
187.14908	2.9
199.14868	9.5
203.14407	2.8
213.16383	5.6
217.15900	2.4
217.19484	2.0
221.15367	2.3
231.17590	4.2
231.20967	9.6
241.19530	35.1
259.20593	100.0
277.21704	14.1
333.24316	9.7
351.25351	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90550	3.0
53.03948	4.8
55.05516	17.6
57.03430	13.3
57.07058	3.6
65.32036	2.5
67.05508	52.5
69.07059	15.9
69.45364	12.6
69.45780	8.7
79.05064	4.6
79.05498	71.9
81.07066	67.4
83.08617	10.5
85.04125	2.6
85.06517	5.0
91.05489	56.9
93.07053	100.0
95.04974	5.9
95.08616	45.6
97.06542	2.8
97.10146	3.9
98.21535	6.0
99.08089	5.6
105.07039	50.6
107.08607	59.1
107.53889	2.9
109.06530	3.5
109.10168	14.2
111.08067	3.7
117.07011	12.6
119.07790	4.4
119.08596	56.1
121.10143	47.2
123.11685	4.1
129.06978	9.5
131.08594	19.0
133.10133	48.7
135.11703	43.2
143.08572	11.5
145.10129	27.0
147.11696	51.4
149.09589	4.6
149.13292	31.2
157.10156	10.0
159.11774	17.2
161.13264	45.5
163.11255	4.2
163.14818	10.2
168.89694	2.8
171.11742	15.1
173.13277	11.5
175.11183	4.9
175.14818	16.2
179.14273	3.5
183.71294	3.3
185.13300	14.5
187.14925	4.8
189.16493	3.9
199.14859	8.2
213.16411	7.4
217.19533	6.9
231.21066	9.2
241.19521	33.6
259.20605	91.1
277.21591	17.6
277.99075	3.0
333.24127	7.7
351.25366	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67357	1.9
53.03939	5.8
53.05076	2.1
55.01883	1.8
55.05514	20.3
57.03441	9.0
60.89633	1.6
65.03939	2.1
67.05504	55.6
68.82644	1.9
69.07068	16.6
70.14689	3.6
70.15092	4.1
71.04983	4.2
75.04465	1.8
79.05495	65.1
81.07059	61.5
82.07384	2.0
83.08592	7.4
85.06522	3.7
91.05479	53.5
93.07044	100.0
94.07389	1.8
95.04951	6.7
95.08044	3.1
95.08611	43.8
97.06503	2.9
97.10146	2.4
99.08082	2.2
105.07029	57.7
106.07346	1.9
106.09145	2.0
107.08598	52.1
109.06502	3.6
109.10147	12.5
117.07030	9.7
119.07792	2.8
119.08583	42.3
121.09303	3.4
121.10149	47.6
123.08032	3.9
123.11677	5.2
128.06224	2.0
129.06984	6.6
131.08569	23.5
133.10138	48.1
135.11702	48.9
143.08612	8.8
145.10153	23.5
147.11687	43.5
149.09584	3.4
149.12184	2.3
149.13263	23.8
157.10091	7.9
159.11708	16.6
161.13246	24.8
163.11157	3.7
163.14818	3.5
171.11708	12.1
173.13315	9.4
175.11240	2.0
175.14853	11.2
177.12718	2.1
177.16249	1.8
179.14352	2.0
185.13268	10.5
187.14882	2.6
189.12653	2.9
199.14813	5.8
213.16451	3.3
217.15816	2.1
231.17534	2.0
231.21059	4.7
241.19489	28.4
259.20587	79.6
260.20844	3.4
264.29453	1.8
277.21631	13.0
299.07550	2.3
333.24231	7.0
351.25351	58.4
352.25916	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.02355	0.5
55.05510	0.8
56.08680	0.5
58.68347	0.5
60.91274	0.6
67.05497	1.5
69.07052	1.1
70.01546	2.0
75.30645	0.6
79.05510	1.3
80.94898	0.6
81.03416	0.8
81.07076	1.3
91.05470	1.5
93.07044	1.7
95.04928	0.8
95.08612	1.0
105.06993	1.3
107.08631	0.8
109.10136	1.0
113.84474	0.6
117.94987	0.6
119.08615	1.1
123.11787	0.6
133.10072	1.1
135.04329	0.8
136.38875	0.5
147.04448	0.9
149.02271	0.8
153.21913	0.6
177.12749	0.9
185.13274	0.5
249.10374	0.6
271.13983	0.7
325.96460	0.7
333.20190	1.3
351.21432	100.0
352.21667	2.0
352.25073	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01873	2.7
55.05508	15.5
57.03432	7.6
66.10740	2.0
67.05510	46.0
69.07076	13.2
71.22294	2.8
71.22641	2.3
79.05495	58.0
81.07059	50.4
83.08611	5.8
91.05485	58.7
93.07053	79.6
95.04979	5.1
95.08611	30.1
97.06548	2.4
98.30465	1.9
99.08115	4.0
105.07038	64.0
107.08599	47.9
107.09290	3.4
109.06561	3.2
109.10172	13.2
111.08091	2.6
113.09679	3.3
117.06989	10.6
119.08594	58.5
121.10156	38.4
123.11720	3.1
129.06973	9.6
131.08572	22.6
133.10149	45.4
135.11713	37.0
137.09683	1.9
143.08577	12.4
145.10117	24.0
147.11694	52.5
149.09615	4.5
149.13274	24.7
157.10161	8.4
159.11687	20.6
161.13281	36.8
163.14862	9.2
165.12889	2.7
168.33937	2.1
171.11714	13.0
173.13287	11.4
175.14801	15.4
177.12759	4.6
185.13284	12.9
187.14812	3.7
189.12759	2.6
199.14824	7.9
201.16318	2.5
213.16391	6.6
217.19597	2.8
231.17441	3.8
231.21080	7.5
241.19524	34.3
259.20584	100.0
277.21628	9.4
333.24466	4.0
351.25299	63.8
360.37082	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	351.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39986	0.3
52.35174	0.3
55.05514	0.7
56.05038	2.3
58.99600	0.6
62.89856	0.4
63.75548	0.4
67.05499	1.6
69.81637	2.0
70.06602	0.6
79.05499	0.7
81.01028	0.4
81.07065	0.9
82.06602	2.0
83.07371	1.0
83.80659	0.5
84.08148	100.0
87.02695	0.6
91.05495	0.8
93.07032	1.3
95.08622	1.1
98.21474	0.7
101.04252	25.9
104.98342	1.2
110.06112	0.5
115.05804	0.7
121.02879	0.4
121.06537	0.9
125.04244	1.4
127.05800	2.7
128.07086	0.7
129.10251	0.8
130.08653	5.9
138.09120	0.4
147.11305	1.7
159.03043	0.7
177.04045	19.1
182.99640	0.5
187.02420	2.3
201.00702	0.5
205.03520	6.9
205.05272	0.6
206.15472	0.8
270.09818	5.7
288.10880	24.9
289.10962	0.6
305.13513	0.9
333.13052	3.5
336.42014	0.4
351.14087	51.3
352.14294	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	351.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14183	1.3
56.16687	1.3
56.96564	18.0
57.03426	1.8
69.03430	5.3
70.16403	5.2
79.62688	1.5
84.08135	2.2
84.38356	1.6
84.96027	5.0
85.02911	8.0
97.02877	3.7
98.97592	68.4
107.04968	8.2
110.97571	11.5
112.07562	1.6
116.98635	25.5
124.99213	1.8
128.98645	10.0
129.02280	2.5
130.08667	1.6
131.00195	2.8
134.99666	7.2
140.98643	2.2
143.00188	3.1
145.01723	3.6
146.99654	5.0
147.03325	5.5
152.98662	2.1
158.97427	2.0
158.99667	23.3
161.01241	4.7
163.02815	5.7
165.04343	3.2
170.83685	1.5
170.99660	6.4
177.00746	17.8
182.99603	2.4
185.83202	1.6
189.00725	6.3
189.04390	5.3
195.01753	1.6
198.04085	1.3
200.02286	1.7
201.00763	5.9
207.01793	1.6
207.05455	6.8
213.04510	1.5
216.98068	1.5
219.01762	19.3
231.01851	3.6
231.05431	2.2
234.99022	7.8
237.02840	29.2
261.00543	3.4
291.07562	24.7
305.03186	4.7
309.08566	57.1
310.09268	1.7
351.10403	100.0
352.10684	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	351.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19905	0.6
56.96285	1.2
56.96567	18.1
61.02948	0.8
69.03413	0.9
70.06593	0.9
70.16979	1.4
70.17371	1.3
71.95256	0.9
74.97611	0.8
84.08134	0.8
84.96045	3.8
85.02907	2.0
86.97579	0.6
97.02908	0.9
98.21461	0.7
98.97590	100.0
110.97571	9.6
112.99132	1.8
116.98628	42.3
118.99123	0.7
119.01946	0.7
124.99120	0.7
127.00643	1.3
127.03949	1.0
128.98602	10.2
129.02214	1.2
131.00175	2.3
134.99675	11.4
140.00252	1.5
140.98579	0.8
143.00223	2.2
144.98105	2.1
145.01700	2.4
146.99675	4.1
147.03319	4.2
149.01221	1.2
150.99123	0.9
152.98616	2.4
158.99664	34.9
161.01237	2.3
162.99104	1.7
163.02783	1.9
165.04361	2.7
170.99667	3.0
171.03296	2.3
173.02962	0.9
174.99254	0.9
175.02817	1.1
177.00728	27.9
182.99670	1.2
189.00722	2.8
189.02603	1.1
189.04361	10.5
191.02238	0.8
193.03824	1.0
195.01849	1.0
200.02275	0.8
201.00761	3.9
201.04340	1.3
207.01759	1.3
207.05344	2.6
213.06081	0.9
219.01781	14.6
219.05258	0.7
223.12073	0.6
224.99289	1.2
230.95665	0.7
231.03516	0.8
231.05464	2.0
234.99004	0.8
237.00403	1.3
237.02823	23.5
243.05402	0.9
255.03819	0.9
258.10629	0.6
261.02890	0.7
291.07507	24.6
292.08072	0.8
309.08569	66.6
310.08817	1.2
332.10114	2.4
351.09705	29.2
352.09830	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	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	5.3
57.03429	1.8
58.99866	1.2
61.02934	1.5
65.30482	1.1
65.59885	1.5
69.03423	2.6
70.06611	3.3
70.98119	2.1
71.44890	1.6
74.97630	1.5
81.03416	2.0
84.04512	1.8
84.08154	3.2
85.02931	4.8
88.99174	2.6
97.02882	1.4
98.06011	1.5
98.97588	7.6
101.00896	8.9
103.02462	2.5
110.97620	2.0
113.00900	2.9
113.03506	1.4
115.02456	8.5
116.98648	3.4
119.01935	17.6
121.01691	4.1
121.03490	1.4
127.04004	1.5
128.06987	1.6
128.98613	3.0
129.04024	2.8
130.08652	2.2
131.01907	7.4
133.03487	31.0
133.05058	2.0
134.99644	2.2
135.03207	1.4
136.84424	1.2
137.02957	1.5
143.01956	6.8
145.03503	5.6
146.99673	3.7
147.05052	16.9
149.02968	2.9
151.04497	3.3
153.04010	4.3
155.01857	6.7
157.03474	4.2
158.99620	2.0
159.05064	3.1
161.02988	8.1
163.02724	2.0
165.00771	2.0
165.06148	4.7
169.03452	2.1
170.99690	3.1
171.05022	19.3
173.02986	18.0
175.04604	2.8
175.06273	2.0
177.00790	1.8
183.05075	4.5
185.03001	2.7
185.06604	1.8
188.12877	2.0
189.00699	5.4
189.06146	16.3
189.13179	2.2
189.15981	1.4
191.04016	12.4
197.03062	1.4
199.04587	1.4
201.00677	2.2
201.02493	1.6
201.06071	12.6
203.04080	4.8
203.07610	3.2
207.01820	4.0
207.05092	1.4
207.07173	3.9
213.06111	1.8
217.00435	1.8
219.01700	2.6
219.03539	3.0
221.05174	6.6
225.06142	5.8
225.08090	2.2
231.01683	1.7
231.07260	1.8
237.02861	2.9
243.07115	2.2
245.05089	2.0
249.02676	2.2
249.08357	6.2
251.06235	3.0
261.08347	6.7
263.06232	1.7
273.08179	2.1
287.05295	4.5
289.07599	2.0
291.09256	31.7
309.10422	6.1
319.05167	4.3
333.06693	1.9
351.06903	100.0
351.12070	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96698	2.7
70.60090	9.2
83.89736	2.8
98.97572	12.3
111.16792	2.8
112.89636	18.0
114.89333	4.0
116.89137	3.4
116.98612	4.0
158.99696	4.3
201.00655	5.4
203.03975	5.4
219.01794	4.4
249.03064	3.2
256.84076	3.3
291.09155	3.8
315.03217	5.4
325.45172	3.2
351.06866	100.0
351.12488	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	350.2692
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
53.03944	4.3
55.01873	1.6
55.05267	1.6
55.05518	30.0
56.05045	8.8
57.03429	2.2
57.07076	8.8
58.02968	10.7
58.06594	5.1
58.25986	1.3
60.04522	4.8
65.03939	2.6
67.05510	47.3
67.81825	1.2
68.05019	1.8
69.06719	2.7
69.07076	35.4
69.93345	3.2
69.93741	3.4
70.06593	21.4
71.04991	2.6
71.08638	32.0
72.08159	4.5
78.55549	1.4
79.05058	2.8
79.05502	45.8
80.05025	6.5
81.03427	2.5
81.05804	4.0
81.07063	51.6
82.06586	20.7
83.04998	2.6
83.08634	13.6
84.04507	6.6
84.08147	32.5
85.06544	1.8
86.06077	3.3
86.09728	4.0
86.80844	1.3
88.11277	82.4
91.05486	31.0
93.07053	30.3
94.06577	41.2
95.04975	6.2
95.07355	5.3
95.08614	40.9
96.04472	1.8
96.08144	18.9
97.06538	3.7
97.10177	7.7
98.06046	1.4
98.09707	1.4
103.05431	1.9
105.07021	25.8
106.06561	6.6
107.04958	3.8
107.08603	25.3
108.08137	7.9
109.06538	3.9
109.08932	2.3
109.10172	14.7
110.06054	1.8
110.09697	10.0
110.10380	1.5
111.06893	1.3
111.08176	1.8
112.07612	9.1
112.11324	1.2
114.09196	4.0
117.07050	5.4
119.08586	14.4
120.08126	3.6
121.08866	1.7
121.10138	11.7
121.95712	1.2
122.09694	5.0
123.08096	2.7
123.11737	6.3
124.07633	1.5
124.11238	17.8
125.09622	1.5
129.06998	1.9
131.08589	8.1
132.08072	2.8
133.10135	10.9
134.09708	1.5
135.08182	1.9
135.11737	7.4
136.11238	5.6
137.09628	3.6
137.13252	1.7
138.09140	1.6
140.10692	1.8
143.08600	1.9
145.10114	8.3
147.11743	5.9
148.11238	1.7
149.13251	4.1
150.12772	2.5
151.09671	2.3
152.10730	9.1
152.14311	1.9
156.13899	5.0
159.11746	5.2
162.12781	3.0
163.11203	2.8
163.14839	1.8
164.14389	7.3
170.15427	5.3
171.11913	4.0
173.13306	2.6
180.13857	7.8
184.17004	3.7
185.13312	2.0
190.15987	1.9
198.18588	4.9
206.15556	2.7
208.13367	1.7
211.92622	1.4
212.16483	34.4
212.18338	2.0
212.20102	3.5
218.15631	1.9
220.17041	5.7
226.21770	2.1
232.16983	2.0
232.34096	1.4
238.18144	4.7
240.16006	4.5
240.23256	2.2
245.22704	2.9
250.18138	1.7
252.19609	25.3
264.19623	1.7
268.26373	1.8
280.19296	4.5
291.23303	2.6
292.22723	18.5
300.23239	2.1
303.23215	2.2
315.23245	1.8
332.25909	13.3
337.29492	1.4
350.26990	100.0
350.34055	61.5
351.27051	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	350.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01875	3.5
55.05512	14.9
56.05040	2.5
57.03434	2.9
58.99586	2.2
60.43067	2.1
65.03952	2.2
67.05509	15.0
69.03433	6.8
70.06594	15.2
70.17558	8.9
70.29762	1.9
71.04994	5.8
73.17602	2.0
79.05495	23.6
81.03427	8.0
81.07057	7.0
82.06588	13.8
83.04980	12.2
84.04517	3.0
84.08146	9.8
85.02912	6.1
85.06554	9.4
86.09721	3.7
87.02692	8.6
87.04481	2.3
91.05480	11.4
93.07062	18.7
95.08601	8.1
97.02902	6.2
98.06116	2.3
99.04456	13.6
100.07624	32.7
101.04252	20.9
102.43226	2.2
104.98333	13.3
105.07064	3.7
107.04961	7.8
107.08596	27.1
109.02889	8.9
109.10152	2.4
110.03257	3.2
111.04462	7.7
116.07063	2.8
117.07018	14.9
119.08610	2.2
121.06544	10.8
123.08046	2.4
125.04235	6.9
125.09642	8.5
127.03882	3.2
127.05786	3.4
128.07086	29.3
129.05484	7.4
131.08679	2.0
135.08064	24.6
135.11693	7.4
143.10678	2.5
144.06543	4.0
145.01468	3.5
146.08128	16.3
153.09123	42.7
156.07697	4.1
159.02975	6.8
171.06828	8.6
171.10179	100.0
177.04051	13.5
187.02498	23.5
188.07080	32.1
189.09262	2.2
205.03534	23.6
206.08919	2.5
221.01457	2.1
241.76578	2.0
266.13998	2.8
268.15585	5.5
332.09854	20.0
350.11993	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	350.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01882	3.9
55.05511	18.9
56.05027	7.1
56.64901	1.4
58.99585	3.1
67.05505	16.3
67.73128	1.7
68.05525	1.8
69.03440	3.7
69.07079	1.9
69.20673	1.6
69.46894	3.0
69.47299	12.2
70.06598	11.6
78.96796	2.4
79.05486	16.1
81.03433	9.7
81.07063	8.8
82.03770	2.5
82.06581	34.8
83.04983	18.8
84.04488	1.8
84.08150	13.5
85.01128	2.8
85.02905	3.0
85.06535	3.7
86.09703	4.0
87.02702	17.9
91.05467	16.2
92.05800	2.4
93.07049	22.6
94.04256	1.6
95.04965	3.5
95.08598	18.1
97.01121	4.9
98.06069	5.6
99.02676	3.2
100.07625	63.2
101.04248	100.0
102.96770	3.1
104.98323	26.1
105.07042	3.7
107.05017	3.4
107.08591	2.4
108.08103	1.7
109.02884	10.1
110.03210	4.0
110.07138	2.1
111.02695	6.2
111.04430	11.7
113.08362	3.1
115.05812	2.3
116.75249	1.6
117.07020	6.7
118.07370	9.4
118.99908	2.5
119.04924	1.6
119.08581	2.5
120.08059	1.9
121.06509	17.7
122.07314	3.4
123.08104	2.4
125.04225	19.3
127.03915	4.6
127.05776	16.3
128.07086	85.7
129.05476	15.5
130.06551	1.7
131.08606	2.5
135.08081	2.2
142.66167	1.7
144.06580	6.7
145.01404	5.8
146.08122	43.9
147.04442	3.7
153.03690	7.1
156.07727	2.3
159.03000	15.8
161.06007	2.8
163.07487	2.2
167.24893	1.6
177.04051	61.0
177.09178	2.4
187.02481	41.3
188.07071	4.0
204.05225	3.9
205.03526	65.3
215.86641	1.8
246.07959	2.2
266.13968	4.9
268.15546	14.8
274.11118	1.7
314.08478	3.7
332.09830	49.2
332.13705	3.3
350.10706	18.8
350.17719	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	349.2741
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.11978	0.5
55.05517	6.1
57.07075	1.8
59.04985	0.5
67.05513	6.3
69.03455	0.5
69.06719	0.8
69.07075	11.1
69.27283	1.3
69.27686	3.5
71.04993	1.5
71.08638	0.6
79.05498	4.4
81.07068	8.9
83.05001	1.2
83.08620	3.8
85.06530	0.6
91.05477	2.4
93.07053	4.9
95.04954	0.6
95.08613	7.3
97.06541	2.3
97.10203	1.0
98.21461	0.8
105.07045	3.6
107.08617	5.3
109.06532	9.8
109.10169	3.6
111.08093	3.1
119.08585	4.7
121.06511	0.5
121.10177	3.8
123.08083	62.4
123.11716	1.3
124.08353	0.6
131.08604	1.1
133.10075	2.5
135.08072	4.6
135.11719	1.8
137.09602	3.4
145.10170	2.1
147.11722	2.0
149.09680	1.3
149.13274	1.3
151.11253	0.7
159.11722	1.4
161.13284	1.5
165.12816	0.8
173.13243	0.7
175.14845	0.7
179.14328	12.3
191.14301	0.5
199.43008	0.5
211.85968	0.5
233.18974	0.8
275.20020	2.6
281.21140	0.8
289.25305	1.3
293.21143	16.5
303.27124	0.8
307.22733	0.8
331.26440	3.6
349.27411	100.0
350.27893	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.63400	0.5
53.03930	0.5
55.05523	3.7
57.03434	0.6
57.07083	5.6
61.13628	0.4
66.29793	0.4
67.05513	5.8
69.07072	4.5
69.71101	0.5
71.04988	0.7
71.08630	2.7
71.39050	1.0
74.33504	0.4
79.05492	4.5
81.03420	0.5
81.06647	0.6
81.07066	7.1
83.08614	1.2
85.06527	2.6
91.05480	3.9
93.07047	5.4
95.04948	1.8
95.08616	7.3
97.06491	1.3
97.10134	0.7
99.08061	1.4
105.07027	5.0
107.08593	4.7
109.05785	0.9
109.06527	19.2
109.10167	3.3
117.07013	1.0
119.08587	5.5
121.10142	4.0
122.07273	1.5
123.08081	26.4
123.11671	1.0
129.07002	0.8
131.08545	2.4
133.10121	2.9
135.08073	3.5
135.11679	1.0
137.09595	0.8
143.08563	1.8
144.09341	0.6
145.10112	3.1
147.11671	2.0
149.09642	0.8
155.08517	1.0
156.09290	0.7
157.10133	1.6
159.11734	2.0
161.13251	0.9
163.11238	0.5
163.14708	0.5
165.12749	0.9
167.06396	0.5
167.14397	0.7
169.10147	0.5
171.11714	0.9
172.62080	0.5
173.13338	1.0
177.16328	0.8
179.14323	100.0
180.09422	0.5
180.14674	1.1
183.11800	0.6
185.13222	0.8
187.14745	0.6
189.12733	0.6
193.15877	2.6
195.11687	0.7
275.20126	1.3
331.26343	2.1
349.27451	74.8
350.27841	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.25239	1.2
52.29153	1.1
52.78041	1.3
55.01866	1.6
55.05514	8.2
57.03430	2.4
57.07071	1.9
67.05502	9.6
68.12218	1.1
69.06785	1.1
69.07069	13.2
70.18761	2.8
70.19147	2.7
71.04996	2.8
79.05508	7.0
81.07060	13.1
83.08607	4.2
85.06525	1.4
91.05478	4.5
93.07063	9.3
95.04944	1.4
95.08618	9.4
97.06527	3.1
105.07028	6.7
107.08595	11.3
109.06522	12.8
109.10143	4.8
111.08056	2.2
117.06996	1.5
119.08602	7.6
120.09046	1.2
121.10150	5.2
122.07195	1.3
123.08074	73.0
123.11666	2.8
128.15944	1.2
131.08592	1.9
133.10101	5.6
135.08064	7.2
135.11673	2.3
137.09589	4.6
145.10175	2.8
147.11682	4.2
149.09595	2.4
159.11728	2.8
173.13266	3.0
177.12709	1.5
179.14304	4.6
206.39146	1.5
275.20111	4.9
281.13614	1.4
293.21115	19.9
331.26358	3.1
349.24170	4.2
349.27368	100.0
350.27838	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01875	10.0
55.05263	3.1
55.05515	46.0
57.03438	14.2
57.07073	2.3
59.71298	1.7
59.86406	1.8
64.37859	1.9
65.03945	3.6
67.05512	57.1
69.03417	6.5
69.07072	38.1
71.04993	3.7
71.60579	2.4
71.88548	1.6
73.61848	1.6
77.03918	2.3
79.05499	100.0
81.03422	7.2
81.07061	60.1
83.04997	18.0
83.08630	13.1
85.06548	2.5
91.05487	41.6
93.06464	3.3
93.07053	61.0
95.04983	25.4
95.08618	46.2
97.06528	6.9
97.10183	14.8
99.08081	1.9
105.04559	1.8
105.06380	3.8
105.07040	46.3
107.04962	23.1
107.08601	66.9
109.06542	4.8
109.09460	2.6
109.10162	38.1
111.08105	5.3
111.11709	1.9
117.07026	15.5
119.08591	32.8
121.06522	4.5
121.10159	27.0
123.04452	8.6
123.08066	8.1
123.11704	8.6
125.05977	3.2
125.09644	14.1
128.06227	2.8
129.06958	9.1
131.08583	23.0
133.06458	2.1
133.10136	25.3
135.08066	8.6
135.11703	14.3
137.09665	2.3
137.13242	2.0
139.04691	2.1
140.96466	1.9
141.05434	5.4
141.07007	2.4
143.08569	9.3
143.37628	1.8
144.09348	3.9
145.10139	27.1
147.11703	21.7
149.09634	41.9
149.13269	11.8
150.10002	1.7
153.09145	2.6
153.12775	2.2
153.44348	1.7
155.08540	6.8
155.10666	2.2
157.10184	12.3
159.11705	41.7
161.09555	4.5
161.13255	8.5
163.11223	4.3
163.14867	6.6
165.12886	1.9
167.08600	2.0
169.08853	1.7
169.10065	8.4
169.12373	2.5
171.10362	2.2
171.11720	9.9
173.11865	3.5
173.13269	11.3
175.11284	1.9
175.14825	7.0
177.09131	2.9
177.16409	4.2
183.11746	9.4
185.13342	4.4
186.13922	1.9
187.11121	2.7
187.14853	12.9
189.11208	5.0
189.16457	3.8
191.14328	2.2
191.17944	3.8
195.11818	2.2
197.13248	12.1
199.11217	2.0
199.14835	6.9
201.16380	3.5
203.10696	2.5
209.15372	3.7
211.14818	6.2
213.12718	1.9
213.16415	3.9
225.16423	7.7
227.18024	2.4
229.19519	3.9
239.17992	8.3
242.66971	1.8
253.19540	12.7
255.21077	2.2
257.19104	7.7
267.21057	4.8
267.42645	2.0
275.20065	39.3
279.21112	2.7
295.20642	2.9
331.22610	3.1
349.23804	30.0
349.28836	37.0
350.23907	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01865	3.7
55.05515	11.2
55.19543	1.4
57.03440	37.2
57.07078	2.6
65.03940	2.1
67.05165	2.4
67.05507	29.6
69.03425	3.3
69.07061	7.1
69.95220	6.1
71.05000	2.9
79.05057	2.8
79.05494	37.3
81.03446	1.9
81.07063	28.1
83.04982	3.2
83.08617	6.2
85.06532	9.4
91.05489	45.7
93.07050	38.3
95.04958	5.3
95.08609	20.9
97.06552	2.8
97.10181	3.6
98.21410	1.8
99.04476	6.3
99.08107	1.7
105.07035	32.7
107.04960	3.7
107.08599	20.3
107.36882	1.7
109.06528	8.9
109.10168	6.3
111.08076	4.0
117.07011	17.0
119.08584	26.8
121.06480	3.3
121.10163	11.0
123.08073	5.6
123.11734	2.9
129.07014	3.4
130.06567	1.6
131.08566	18.9
133.10138	16.8
135.08078	4.3
135.11725	8.8
137.09593	3.2
145.10123	12.8
147.11707	8.1
149.09579	2.9
149.13260	2.4
153.12741	2.2
157.10168	3.3
159.11777	7.8
161.13301	3.5
171.11763	2.3
173.13261	4.2
174.12782	3.7
175.14796	3.3
179.14276	2.1
183.11572	1.7
185.13280	5.5
197.13289	2.4
198.34048	1.8
201.16388	8.6
203.14265	3.7
209.15390	1.5
219.17455	100.0
222.61722	1.7
257.19028	4.4
263.46896	1.6
275.20007	15.7
288.16202	1.6
349.23892	15.6
349.27713	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	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01859	5.0
55.05299	1.8
55.05518	20.8
57.03441	43.5
57.07069	2.5
57.28043	1.5
65.03934	4.1
67.05511	51.5
69.03421	1.9
69.07076	22.2
70.97987	1.7
71.04993	6.4
79.05500	58.5
81.03420	2.3
81.07064	55.4
83.04974	5.0
83.08648	9.2
85.06551	6.4
91.05489	88.1
92.05788	1.9
92.67322	1.6
93.07054	69.4
95.04977	9.8
95.08617	47.1
97.06541	9.7
97.10181	4.8
99.04491	2.2
99.08086	3.4
103.05503	3.1
105.04539	1.9
105.07043	93.2
107.04961	7.2
107.08609	37.5
109.06537	10.0
109.10148	10.2
109.72697	1.7
111.08101	4.7
115.05500	3.6
117.07033	41.5
117.83563	1.5
119.08590	72.1
121.06526	5.1
121.10143	18.9
123.08083	6.4
123.11732	3.5
125.09656	4.1
128.06256	5.4
129.07007	19.3
130.07814	4.1
131.08580	49.2
133.10141	45.3
135.08083	6.0
135.11673	9.3
137.09671	1.9
141.07025	5.7
142.07773	3.8
143.08592	21.0
144.09262	1.9
145.10135	61.3
145.11273	3.2
147.08032	2.2
147.11713	36.6
149.09674	12.7
149.13228	3.4
155.08546	4.2
156.09299	2.4
157.10152	19.6
159.11708	59.2
159.13034	3.4
161.09608	4.3
161.13272	18.5
163.11208	6.9
169.10135	12.0
171.11703	11.8
173.13275	24.9
175.11186	4.7
175.14816	7.7
177.12781	3.3
183.11678	11.4
185.13266	30.8
187.11234	2.7
187.14847	4.4
191.14490	2.5
195.11668	2.1
197.13277	10.3
199.14806	2.8
201.12723	3.3
201.16469	5.4
203.14339	17.5
211.14896	5.1
213.16393	2.6
215.17990	2.7
219.17513	26.2
221.15379	3.3
229.15846	2.8
229.19531	7.0
237.81161	1.6
239.17960	23.3
247.20607	2.2
257.19037	45.1
258.41592	1.8
275.20108	56.8
277.18073	3.7
284.60281	1.9
331.22784	4.7
349.23807	100.0
350.24121	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	349.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.66701	0.7
55.05496	0.8
56.50607	0.6
57.03420	0.6
60.86621	0.7
65.03931	0.9
67.05509	5.8
69.03429	0.8
71.59077	0.6
75.89747	0.6
79.05492	3.1
81.03423	1.5
81.07057	2.9
91.05479	5.9
93.05809	1.1
93.07043	4.3
94.06596	3.4
95.04967	4.7
95.08614	1.5
105.07043	3.5
106.06561	0.7
107.08576	1.3
108.08131	5.9
109.02890	1.7
109.06487	0.9
112.07569	1.2
117.07008	2.0
119.08591	2.5
121.94890	0.6
122.06036	12.9
123.08038	0.9
124.07621	0.8
126.05515	2.4
127.03955	0.7
129.06984	0.8
130.06493	0.7
131.08583	1.7
133.10167	1.2
136.07588	100.0
137.05884	1.0
137.08298	1.3
139.06329	1.4
140.07033	3.1
145.06403	0.7
145.10118	1.6
147.11725	1.0
150.05513	4.1
152.07082	2.6
154.08640	5.7
159.08047	1.5
159.11743	1.6
164.07065	12.3
164.08377	0.9
168.06595	2.1
169.64934	0.6
175.11235	0.8
182.08157	16.8
196.09709	61.6
197.10025	1.1
212.09195	4.4
214.10751	63.1
215.11133	1.0
257.19025	1.5
321.04187	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	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	8.1
55.01879	13.7
55.05268	3.4
55.05516	53.8
56.96568	1.7
57.03439	16.1
57.07086	2.1
65.03928	1.8
67.05511	54.0
69.03426	4.0
69.07074	24.1
69.48671	7.0
69.49104	6.6
71.04984	7.6
73.65292	2.0
75.15022	1.5
77.03921	2.2
79.05502	100.0
81.03415	6.3
81.07062	48.1
83.04984	27.6
83.08630	14.0
89.16540	1.5
91.04906	2.1
91.05488	49.6
93.07050	69.6
95.01312	2.8
95.04981	13.4
95.08609	28.6
97.06538	8.4
97.10171	17.3
98.20803	3.9
99.08115	1.9
103.05465	2.7
105.07034	44.4
107.04967	32.2
107.08603	68.7
109.06506	7.7
109.10166	27.2
111.08112	4.3
115.05524	1.9
117.07033	15.6
119.04924	2.0
119.08601	24.4
121.06496	5.7
121.10165	25.0
123.08041	6.7
123.11734	4.1
124.78777	1.7
125.09628	16.5
129.06985	3.2
131.08577	21.4
133.10139	24.3
135.08054	8.3
135.11699	7.3
137.09624	3.0
141.06958	2.1
143.08551	2.9
145.10162	16.7
147.11699	16.9
149.09631	54.5
149.13303	2.3
153.09131	3.4
157.10089	3.5
159.11696	10.3
161.13242	5.6
163.11212	4.2
163.14842	3.3
169.10130	3.5
169.12230	5.3
171.11757	5.6
173.11745	5.5
173.13260	7.7
175.11409	2.0
177.12776	2.8
179.14363	4.1
183.11728	2.4
185.13297	3.0
187.11249	2.7
189.11191	6.8
191.14334	3.0
197.13284	3.8
209.15382	5.8
229.19447	4.1
247.20697	3.8
257.18988	6.7
261.66498	1.8
275.20105	42.2
275.70901	2.1
287.60056	1.8
349.13181	2.5
349.23801	35.3
349.27692	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	349.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	16.6
54.43337	1.5
55.01868	2.4
55.05506	2.3
57.03439	2.3
65.73891	1.5
67.05497	1.9
69.03418	4.7
70.30995	6.2
72.26276	1.8
79.05496	12.3
81.03426	59.4
81.48813	1.8
83.04981	10.5
91.05476	22.4
93.07049	18.6
95.04950	4.7
97.02899	4.9
99.04489	1.9
105.07021	8.5
107.04959	7.9
107.08633	9.2
109.02890	100.0
109.06548	2.8
111.00755	2.8
111.04457	6.6
115.05462	6.9
117.07027	95.6
119.04951	2.9
119.08587	10.6
121.06522	7.5
121.10138	3.0
123.04420	4.6
125.06061	2.9
127.03928	21.8
129.07001	6.4
131.04919	3.1
131.08589	15.1
133.06500	6.5
135.04456	2.9
135.08051	17.1
135.74312	1.9
141.06976	2.4
143.08562	4.2
145.06439	2.8
147.04388	4.9
147.08060	3.6
149.09590	12.3
151.03914	3.8
151.07632	1.9
153.05458	3.3
157.06612	2.4
159.08047	9.2
161.06006	9.9
163.03909	2.1
163.07562	20.5
169.10194	1.9
171.08176	2.9
173.06065	1.8
175.03903	3.1
175.07507	4.3
177.09129	17.9
179.08623	2.7
181.06548	2.1
183.08055	2.7
185.05966	2.5
187.07573	3.0
189.05475	2.3
191.07104	1.7
195.10132	19.5
203.07037	5.8
205.08626	9.0
207.06468	9.1
207.08237	2.0
211.07536	2.0
223.09689	2.0
225.08987	9.0
237.11197	2.3
243.10236	4.0
250.68477	1.7
253.08629	8.1
257.11639	2.0
267.10172	4.0
269.08148	2.4
271.09702	6.7
285.11240	6.4
287.09082	2.4
289.10742	7.1
295.09723	4.4
303.12323	2.5
313.10611	11.3
331.11871	13.3
349.12753	18.4
349.16806	2.3
349.18179	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	349.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05508	0.9
66.80764	0.8
67.05516	1.8
69.03436	1.2
70.12097	0.7
71.59335	0.9
72.94558	0.7
79.05492	1.1
81.03436	5.3
81.07034	0.9
91.05482	2.2
93.07054	1.9
94.06597	1.1
95.04972	1.4
105.07019	1.1
107.05064	0.9
107.08584	1.4
108.08176	1.0
109.02888	6.6
111.04433	0.9
117.07045	4.8
119.04947	0.9
119.08558	1.4
122.06041	2.3
127.03936	2.3
131.08575	2.3
133.06496	1.3
135.07990	0.9
136.07593	15.4
139.90018	0.7
145.10146	1.5
149.09587	0.9
150.05521	0.8
154.08611	1.1
159.08099	0.9
161.05890	0.9
164.07082	1.8
177.09044	1.5
179.79469	0.7
182.08170	2.2
185.04247	2.5
196.09705	11.2
203.06920	0.9
214.10759	10.8
308.08646	1.1
313.10745	0.9
349.12607	100.0
350.12827	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	348.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.0
59.31805	6.8
63.67860	7.7
69.03407	7.8
70.06586	8.8
70.88393	15.6
84.74729	7.2
92.85201	6.9
112.89610	34.0
114.89326	19.2
152.09026	7.4
169.20076	8.3
176.20987	7.9
246.06610	8.8
276.07870	7.7
348.06888	100.0
348.10648	72.7
349.11044	9.1
370.41220	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	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.7
61.64312	4.8
67.05515	65.4
69.07069	13.8
71.08636	7.1
79.05499	21.0
81.07059	43.5
83.08621	19.8
91.05499	14.7
93.07063	27.3
95.08628	19.6
97.10182	11.3
98.21506	12.8
99.08139	6.4
105.07072	12.0
107.08603	17.6
109.10172	56.5
118.33195	4.9
119.08622	9.5
121.10204	6.1
125.09638	9.9
133.10191	11.0
135.11732	9.7
137.09624	6.5
147.11702	9.0
149.13292	13.0
155.10692	14.2
159.11751	7.6
161.13312	5.9
173.11765	100.0
189.11212	10.4
195.13799	22.9
212.06219	6.5
213.14903	14.5
275.20581	4.9
277.21744	32.6
295.22717	13.4
348.05881	5.9
349.07693	5.1
349.24097	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	348.2747
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03941	1.1
55.05526	3.5
56.05041	2.8
57.03448	0.8
60.04531	100.0
65.03950	1.1
67.05510	12.5
68.05038	0.9
69.03427	0.9
69.07076	3.5
70.06590	1.6
71.05001	0.7
72.04532	1.3
74.06083	2.9
79.05504	8.2
80.05032	1.9
81.03438	2.1
81.07061	11.8
82.06593	2.5
83.04990	1.3
83.08616	1.0
84.04515	0.9
84.08196	0.6
85.02897	0.8
85.06564	1.7
85.91179	0.5
86.06075	0.9
90.05574	1.5
91.05484	7.9
93.07051	8.3
94.06593	2.1
95.04958	1.2
95.08623	8.2
96.08154	1.4
97.03610	0.6
97.06519	1.0
99.08079	0.7
100.07648	0.6
102.05538	0.9
105.07047	4.0
106.71227	0.7
107.04964	0.8
107.08589	4.4
109.02897	1.1
109.06514	0.9
109.10194	3.3
112.07639	1.0
115.95721	0.6
116.07150	0.6
117.07049	2.1
119.08597	3.7
121.06542	0.6
121.10155	4.5
122.09633	0.7
123.11752	1.2
125.09688	0.9
129.07071	1.1
131.08607	2.9
133.10109	3.0
135.11736	2.9
137.13237	0.7
143.08545	0.6
145.10182	1.8
147.11749	2.0
149.13277	1.0
157.10313	0.7
159.11710	1.4
161.09782	0.8
161.13277	0.8
171.11662	1.1
173.13289	1.0
185.13303	0.7
217.19565	0.9
241.19548	0.7
258.22031	0.8
270.24231	0.7
276.23291	4.5
294.24280	6.5
312.25302	12.0
330.26401	31.9
331.26663	1.2
348.27478	64.6
349.27881	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	347.2219
Annotation	Ceriopsin E
Peak:m/z	Relative Intensity
51.88931	3.6
53.03940	4.6
55.05503	16.4
56.96561	11.4
57.03439	4.9
57.07081	5.7
58.10404	3.7
67.05504	24.4
68.31601	4.2
69.03465	5.3
69.07066	34.3
69.30663	40.7
70.06589	5.2
71.61364	4.1
77.97515	4.2
79.05480	17.4
80.93274	4.3
81.03414	10.0
81.07056	37.8
83.04980	4.2
83.08617	8.2
85.06548	5.9
88.07619	6.1
91.05488	34.6
93.03350	5.1
93.07064	30.9
95.04977	13.1
95.08619	43.9
97.06531	5.2
103.05414	7.0
105.07021	54.1
107.04927	6.7
107.08593	31.2
109.06506	13.4
109.10147	37.6
111.04455	5.7
115.05462	10.3
117.07027	32.2
119.08586	36.3
121.06475	10.7
121.10133	15.9
123.04424	5.2
123.08054	9.8
123.11709	12.8
125.05979	6.9
129.06985	9.9
131.08588	22.4
131.09433	4.9
132.10179	4.0
133.06474	12.0
133.10115	20.2
135.08067	25.3
135.11781	6.4
141.05519	6.4
141.06956	6.3
143.08537	22.3
145.06499	13.1
145.10110	25.7
147.08014	5.6
147.11662	7.1
149.09537	4.1
149.13266	10.3
150.11290	5.3
151.07518	6.7
155.08524	7.0
157.10098	13.8
159.08084	9.0
159.11708	18.1
161.13295	8.3
163.07545	11.9
163.11243	5.2
165.12727	4.4
167.08485	6.9
169.10098	9.3
171.08072	6.0
171.11662	9.2
173.05975	6.4
173.09561	4.0
173.13223	10.6
175.14828	6.9
177.09105	8.4
181.10130	9.1
183.11702	12.1
185.09515	6.0
185.13216	9.2
187.07520	5.7
187.14783	5.2
189.16444	5.5
191.07022	5.9
191.14383	5.2
195.11713	7.0
197.13260	7.8
199.14806	9.1
201.09216	6.3
205.11899	5.1
205.15871	5.6
211.14722	7.6
213.12561	5.0
223.14806	5.6
224.65280	8.3
227.10620	6.3
229.12335	4.9
233.65591	7.3
241.12296	5.4
241.19547	13.1
245.16734	5.9
251.17999	11.9
269.19077	22.1
277.19592	8.6
287.20114	20.1
292.15155	4.2
297.18530	13.7
311.19919	4.7
315.19644	28.6
329.21237	22.0
329.87036	4.2
347.05389	5.7
347.22086	100.0
347.26230	16.9
347.33466	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25380	0.7
53.42759	0.7
55.05499	1.2
61.72702	0.6
67.05504	1.0
69.03433	0.9
69.07069	1.1
70.06553	0.7
71.59637	0.9
72.66063	0.6
79.05495	1.1
81.07067	1.7
91.05478	1.7
93.07040	1.4
95.04997	0.9
95.08604	1.5
97.06538	1.5
105.07013	1.9
107.08612	1.4
109.10120	0.9
114.09166	0.7
117.07010	0.7
119.08557	1.3
121.10201	1.0
133.10165	1.1
136.07539	0.7
143.08592	0.8
147.04367	0.7
147.11717	1.0
148.07646	1.0
157.10118	0.9
165.09111	0.7
168.08110	1.3
171.09137	0.7
185.10863	0.8
195.09268	0.7
196.07562	0.7
197.07191	1.2
198.07939	1.1
199.08667	2.2
211.08659	5.1
212.05806	0.6
212.09393	4.0
213.10266	2.3
223.08839	1.0
225.06644	4.7
225.10150	3.5
226.07344	2.8
226.11034	1.2
227.08179	11.3
227.11792	2.4
237.10240	3.9
239.08157	31.5
240.08971	19.4
241.09763	8.7
253.09784	6.5
254.10539	12.8
255.11349	9.5
256.11996	0.8
273.12421	5.1
281.09143	1.2
283.10864	1.0
285.08771	8.8
287.13852	1.4
291.06601	0.8
297.12402	1.0
299.10300	64.9
300.11053	16.3
315.13409	100.0
316.13770	2.8
347.15082	1.7
347.23459	1.1
347.27249	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	347.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01876	8.5
55.05514	100.0
57.03433	10.7
67.05494	3.9
69.03434	29.8
70.06600	3.9
71.04987	5.8
71.57792	3.7
73.02918	6.5
79.02633	3.1
81.03413	8.2
81.07043	4.3
83.04986	4.5
83.08622	69.1
84.08138	6.1
85.02911	40.5
86.03256	5.4
86.09716	7.2
87.00832	9.6
87.04468	9.1
95.04950	3.3
97.02891	29.1
99.05611	4.0
101.09662	4.0
105.01849	7.9
105.75732	3.0
107.04948	4.5
107.08554	3.1
108.05286	4.0
109.10086	3.1
115.03940	50.6
121.06495	3.0
123.04425	3.6
125.02325	7.3
127.03925	6.8
130.00467	3.4
133.04985	10.9
136.06219	3.1
142.08679	3.3
147.04437	4.2
151.07652	3.4
159.05936	9.0
161.04489	25.2
167.10707	7.2
184.33006	2.6
201.03995	6.8
219.05023	3.9
232.99480	3.9
233.64253	3.1
247.04535	3.9
269.04514	4.0
303.13763	17.1
329.11298	3.4
347.12964	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	347.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68812	1.9
53.03939	5.0
55.01875	8.7
55.05516	100.0
57.03446	11.4
61.49295	1.8
69.03434	19.6
70.00545	7.7
70.06599	3.4
71.01331	3.0
71.05003	4.3
73.02912	4.0
77.31813	2.0
81.03430	5.1
83.08627	62.7
83.09116	3.9
84.08153	3.5
85.02917	25.1
86.09721	2.8
87.00806	8.3
87.04471	3.5
91.05473	2.4
97.02903	17.9
101.09657	3.0
105.01869	6.0
105.07085	2.0
115.03942	52.4
125.02361	6.0
127.03905	2.0
133.04967	11.9
133.06569	2.0
143.03366	2.1
145.04907	2.0
147.04419	2.4
161.04466	18.4
171.02992	2.9
173.58179	2.2
179.05542	3.3
201.03987	5.6
219.05058	5.3
247.04518	4.4
278.05850	1.8
347.12897	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	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.24953	0.5
51.34246	0.5
53.03943	0.6
55.01883	2.6
57.22770	0.6
63.90615	0.5
65.03947	3.6
67.05511	4.6
68.05022	0.9
69.03438	0.6
71.32857	0.9
79.05473	0.6
85.02934	0.8
91.05463	0.6
92.05011	15.2
94.06551	1.6
95.04939	2.5
96.04488	2.2
103.76483	0.5
108.04472	1.1
110.06061	1.4
120.04480	7.4
122.06059	2.9
134.06000	0.8
136.07585	1.1
138.05508	11.5
144.08058	0.6
146.06018	1.4
148.03960	1.4
151.65749	0.5
153.06769	0.5
155.07304	0.8
156.08186	0.9
158.06131	0.6
162.05499	0.9
164.07069	8.5
166.05005	9.3
167.07245	0.7
168.08078	1.2
169.08829	0.6
170.09674	2.4
172.07582	1.1
176.07100	1.2
177.42490	0.5
180.08165	1.1
182.08195	7.1
182.09680	0.7
183.06773	1.5
184.07635	1.1
184.11172	1.5
185.10777	1.0
186.09158	1.1
187.12271	0.7
196.07608	2.5
197.08376	0.8
198.07645	0.9
198.09203	9.4
199.08617	4.0
200.09450	1.7
201.10249	1.3
208.05984	1.8
210.09177	1.4
212.10919	2.5
213.06618	1.8
213.10245	9.6
214.08638	2.5
214.10936	1.3
215.08217	1.6
223.08464	0.6
224.07091	1.3
226.06680	0.9
226.08693	16.6
227.08125	5.9
227.11618	2.6
228.08923	1.5
229.09691	1.2
231.11337	0.8
237.10262	0.7
238.08646	2.0
239.11787	0.8
240.10294	3.8
241.09734	27.9
242.08234	0.8
242.10455	3.8
250.93333	0.5
251.08252	0.7
255.11276	6.6
256.09653	2.8
257.09320	0.9
258.11224	2.1
259.10770	5.2
260.11584	1.9
265.09726	2.2
266.08075	1.1
267.11349	2.4
268.09717	7.4
269.09204	7.6
273.12259	1.6
275.10284	0.9
283.10773	5.8
284.09137	2.0
286.10727	6.2
286.85074	0.6
287.10263	15.0
293.09247	1.1
301.11871	16.2
311.10257	6.0
319.12817	5.2
329.11340	5.2
347.12384	100.0
348.12927	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	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	29.6
57.03436	9.7
62.20683	5.4
67.05500	79.6
69.07071	23.3
70.99831	17.4
79.05486	40.0
81.07063	56.5
83.08632	20.3
91.05486	23.7
93.07037	37.8
93.64880	5.4
95.08627	35.4
97.06509	7.1
97.10181	24.0
98.21393	7.1
105.07055	19.6
107.08595	48.8
108.07694	6.1
109.10154	64.9
111.08064	7.6
117.07004	6.7
119.08593	21.8
121.10154	20.9
125.09643	21.0
128.89719	7.3
131.08600	13.0
133.10153	21.3
135.11682	10.5
135.61443	5.7
137.09592	6.5
144.10410	5.4
145.10138	6.2
147.11716	16.5
149.09592	10.3
149.13249	18.7
155.10703	24.2
159.11681	15.0
163.11209	7.6
173.11743	100.0
177.12755	10.2
189.11223	14.3
195.13789	37.7
211.40404	6.0
213.14851	18.1
228.17857	6.3
257.19031	7.5
275.20111	56.0
293.21207	11.3
319.06088	22.5
326.76395	7.9
347.05527	25.0
347.97046	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	347.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
56.96571	11.0
57.03431	1.7
61.78048	1.4
67.05466	1.7
69.03430	8.2
70.06593	3.0
72.08155	2.1
73.02929	2.1
74.06071	1.6
81.03385	3.3
84.04520	2.8
84.08128	4.1
84.96054	2.6
85.02914	14.3
86.09703	6.2
87.04452	3.5
96.04484	2.0
97.02905	11.1
98.97598	18.3
101.00904	12.2
108.08099	2.8
109.02884	2.5
110.44659	1.2
110.97554	2.0
116.98620	9.8
119.01932	33.6
123.04431	6.4
126.05538	3.1
127.03925	6.7
128.98625	5.8
129.10246	2.4
130.04985	2.6
130.89722	1.4
131.01865	3.6
134.99663	3.9
136.06192	11.9
137.02956	3.3
137.07832	1.4
138.05498	9.2
143.01909	80.9
144.02098	1.9
144.06570	2.0
145.01711	1.5
145.03470	2.1
146.99669	2.4
147.07680	1.9
149.01242	1.6
152.07031	1.9
155.01956	2.6
158.99675	5.7
161.02971	100.0
162.03094	2.7
163.02704	1.4
163.04120	1.5
169.04865	1.6
170.99638	2.5
173.01440	2.0
173.02974	3.1
174.04434	2.7
175.04533	2.6
176.05220	6.4
177.00705	4.2
184.04611	4.6
186.04382	4.0
190.95290	1.5
191.02264	1.8
201.00763	2.7
201.04359	1.8
203.04027	46.8
204.05499	2.4
208.04839	1.5
219.01791	5.5
221.05020	6.8
227.07645	3.1
228.05421	2.5
237.02863	8.6
245.05070	2.6
245.08900	1.5
254.12369	1.8
279.07657	2.0
284.13504	2.0
287.06635	2.9
287.09729	18.4
305.10696	2.8
313.02295	1.5
321.08716	1.7
347.12805	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	345.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.2
56.05034	4.4
56.96557	8.5
57.03433	13.0
61.02928	24.0
61.97156	3.2
67.00530	3.3
69.03434	54.8
70.06605	9.5
71.58575	5.4
72.08157	7.2
73.02924	38.9
81.03413	9.4
85.02422	6.8
85.02911	100.0
87.04477	4.4
91.03983	14.9
94.93008	10.2
97.02902	36.8
98.97582	14.9
99.04455	7.1
101.00891	9.7
101.02393	8.1
109.02898	8.9
110.97541	3.6
111.02943	4.3
112.89607	17.7
114.89344	5.2
115.03922	4.6
116.98600	3.8
119.01927	21.4
122.07147	5.9
127.03925	47.7
128.98608	4.3
129.02933	4.9
131.01889	12.8
136.07475	3.9
136.43590	3.4
143.01895	23.3
144.03433	4.0
145.03471	13.0
145.04971	12.7
146.99666	4.7
147.04248	4.1
153.03960	12.3
155.01923	30.8
157.03476	6.6
158.99768	4.0
161.02977	24.9
162.04526	6.3
162.45554	4.0
166.05048	4.1
167.01820	6.9
169.03522	5.3
173.02940	30.8
173.06657	8.8
174.03119	4.4
174.04506	16.6
175.04666	5.1
177.00818	5.8
183.05028	36.3
183.55157	4.1
184.84082	3.4
185.02948	29.4
187.04442	8.1
191.03986	4.3
192.05536	5.6
197.02921	4.6
201.00735	14.5
201.02444	7.0
202.89117	21.4
203.04039	16.6
215.04045	7.6
219.01849	10.6
221.05043	5.7
227.04056	4.8
234.06604	38.5
234.56894	5.8
237.02809	4.3
245.05133	41.3
246.05420	7.2
255.02029	3.6
255.07150	16.7
257.05045	6.7
261.02859	5.0
263.06189	6.1
264.07715	40.5
264.58041	7.3
273.02933	4.2
275.06207	11.6
284.83698	14.2
305.07272	10.6
344.99805	19.1
345.05621	5.5
345.09137	17.8
345.15381	4.3
346.08920	4.3
347.08142	11.3
365.09311	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	344.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.8
60.04546	4.6
61.02913	5.7
69.03438	15.0
71.59771	3.8
73.02895	3.6
78.10258	2.9
81.03410	8.9
85.02415	4.8
85.02911	59.7
86.06055	5.1
90.10139	3.1
91.03949	4.4
97.02914	17.0
99.04443	4.0
103.05495	4.1
105.07043	22.0
109.02863	8.8
109.34518	3.1
110.86822	2.6
116.10720	5.0
124.05247	34.5
127.03912	11.0
133.06511	21.6
137.06000	37.0
145.04965	23.3
145.58224	3.4
151.73871	2.6
157.30994	3.1
165.09126	100.0
165.10507	6.0
177.77209	3.1
237.95415	3.1
265.40039	3.4
326.23251	4.1
344.24228	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	11.3
55.05522	78.3
56.96571	11.8
57.03430	25.9
67.05506	72.8
69.07057	32.0
69.54140	10.1
71.60184	22.7
71.60561	12.7
74.06099	15.7
74.51801	11.0
78.23429	12.0
78.41650	10.4
79.05505	89.5
81.03416	13.5
81.07061	100.0
83.04971	28.4
83.08618	54.5
86.06061	32.1
87.54263	13.0
91.05490	61.1
93.07058	71.8
95.04971	18.3
95.08639	66.0
97.06580	14.7
97.10193	63.2
105.07026	44.2
107.08568	40.7
109.06470	18.0
109.10133	22.0
111.04395	12.0
116.10744	54.1
119.08604	43.6
121.10126	42.2
123.08070	35.3
123.11793	13.7
125.09618	61.9
125.34935	13.7
131.08562	33.4
133.06502	14.4
133.10158	19.0
135.11641	16.0
145.10043	18.3
147.11610	16.1
151.07576	12.5
157.10080	22.4
157.73163	11.9
159.11783	19.0
182.08183	14.0
183.11656	12.2
189.11208	74.9
213.30383	14.0
273.18488	39.7
291.19586	37.4
309.20682	20.3
326.23248	13.8
344.14157	13.8
344.24335	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
53.86321	1.0
55.01892	1.4
56.05055	1.1
56.96565	4.7
57.03436	3.0
60.04527	2.6
61.02925	4.1
69.03432	10.0
70.03992	1.7
70.04389	2.5
70.06591	4.2
70.11904	0.9
73.02922	1.7
81.03411	4.1
84.08157	2.4
84.96056	1.3
85.02917	30.3
86.09711	1.1
87.04491	2.6
89.71177	1.1
91.03971	1.0
91.05485	17.1
95.04998	1.2
96.04511	1.4
97.02904	13.3
98.20804	1.7
98.97599	6.8
99.04485	2.2
103.05436	1.0
107.04959	3.0
109.02878	2.5
110.97587	1.8
112.07607	2.6
115.03922	1.3
116.98627	3.9
119.04961	43.5
121.04008	1.1
121.06500	1.3
123.04467	5.2
127.03935	6.3
128.98586	1.7
131.00104	1.2
134.99643	1.7
136.07597	90.3
145.05008	5.7
146.09560	1.1
146.99634	1.9
147.04399	3.8
147.17999	1.1
148.07500	1.3
156.03429	1.2
158.06651	4.6
158.99681	1.8
159.16519	0.9
164.07114	3.0
165.05473	9.7
176.07727	3.6
177.00740	2.1
178.08620	1.3
182.08153	100.0
183.08534	1.7
186.04445	2.1
188.07724	2.1
189.00638	1.3
200.55090	1.0
202.17966	1.1
204.05426	1.7
215.05135	1.7
219.01749	2.3
224.09221	4.6
233.06169	6.3
237.02763	2.5
251.12473	7.3
263.12488	4.0
269.13519	3.6
270.13367	1.1
281.13522	13.5
308.11249	2.4
326.08661	1.1
326.12491	1.1
344.13257	3.2
367.55585	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	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
61.02922	1.6
65.57044	0.5
67.98276	0.5
69.03433	3.9
69.66264	3.4
73.02891	0.5
81.03419	1.4
85.02909	15.9
90.76023	0.5
91.03947	0.6
91.05487	5.7
97.02909	2.9
99.40665	0.5
109.02908	0.8
109.76178	0.5
110.76642	0.5
119.04959	17.6
123.04436	2.1
127.03906	2.9
132.04297	0.6
145.04977	3.3
146.00935	0.5
147.04420	100.0
148.04755	0.9
165.05489	50.8
180.08693	0.9
182.08139	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	344.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.9
57.03443	0.8
61.02909	0.8
69.03419	2.8
70.06578	2.2
70.75999	2.0
72.08158	0.9
81.03402	0.9
83.65423	0.7
84.04500	0.8
84.96009	0.7
85.02921	3.9
90.91446	0.6
91.42793	0.7
96.04493	0.7
97.02891	2.2
98.06052	2.5
98.97594	3.7
103.54404	0.7
107.04949	2.0
109.02834	1.2
112.07615	14.2
113.38905	0.7
116.07050	0.8
116.98619	1.8
122.04619	1.1
127.03925	1.0
136.06198	1.0
136.07579	2.4
140.05606	3.0
144.05032	0.8
145.04964	0.9
146.99641	0.7
152.05635	0.7
154.03418	0.9
156.03383	0.9
158.06642	31.8
162.28156	0.7
164.07077	1.1
166.05002	1.0
170.06616	3.1
172.04594	2.0
174.04445	2.0
176.07716	20.7
177.00800	1.1
182.08145	2.1
186.04390	1.8
188.07700	14.1
204.05432	1.2
211.09467	0.7
215.05165	14.4
219.01842	1.5
225.10843	10.5
233.06209	47.2
234.06403	1.1
237.02785	1.2
239.12471	1.6
243.11887	5.6
251.12437	50.5
252.12575	1.6
256.07797	2.0
263.12433	28.9
264.12369	0.7
269.13477	26.0
281.13486	100.0
282.13702	2.4
290.89127	0.7
292.15094	1.8
295.15140	1.2
304.15076	1.7
310.26364	0.7
344.13297	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03942	6.0
55.01861	7.4
55.05519	19.0
57.03416	8.2
57.07077	9.7
59.04997	6.0
64.11477	2.2
65.03925	3.1
65.52814	1.9
67.05508	29.9
69.03424	8.5
69.07061	10.1
69.94489	9.4
71.05000	18.7
73.30171	2.2
79.05502	28.1
81.03426	3.5
81.06643	3.0
81.07072	33.4
83.04989	5.4
83.08628	4.8
85.06530	5.4
91.05492	37.8
93.06473	3.6
93.07056	69.8
95.04363	3.0
95.04974	55.8
95.08613	100.0
96.08978	1.8
97.06548	14.0
98.21420	2.1
103.05466	3.5
105.04626	1.9
105.07041	81.2
107.04963	5.6
107.08604	66.8
108.05716	2.3
109.06524	14.1
109.10159	30.9
111.08089	2.6
115.05457	5.8
117.07018	28.7
119.08590	40.2
121.06504	16.3
121.10146	28.4
122.07254	2.6
123.08065	26.2
123.11716	5.6
125.05977	2.3
127.51659	1.8
128.06210	2.8
129.06990	7.3
130.07776	12.4
131.08588	11.5
133.06493	5.9
133.10124	20.7
134.33820	1.9
135.08058	28.1
135.11720	21.1
137.06007	2.8
137.09624	4.7
142.07762	3.2
143.08556	10.9
145.06508	2.2
145.10133	78.0
146.10448	2.9
147.08026	12.2
147.11658	7.0
149.09625	6.1
151.06413	3.4
151.07552	41.8
153.09085	6.2
155.08534	4.1
156.09355	3.3
157.10159	11.8
159.08141	2.9
159.11682	10.2
160.08856	1.9
161.09645	8.4
161.13258	5.9
163.11211	61.6
165.09105	16.5
169.10178	5.2
171.11681	7.1
173.09578	4.2
173.13281	5.1
175.11209	5.3
175.14954	4.4
177.09123	5.2
179.07101	3.3
179.10716	2.5
181.12221	4.6
183.11690	3.2
187.11176	7.3
187.14825	4.1
189.12769	10.0
189.16420	21.9
191.14299	5.0
191.18002	3.4
195.11610	2.2
197.13330	3.4
198.10651	2.1
199.14838	3.0
201.16383	6.2
203.14333	8.1
207.10173	5.1
207.13852	3.2
209.13371	3.8
209.15300	3.6
215.14322	3.3
217.12302	2.8
221.15398	30.4
223.14842	2.0
225.12782	2.1
227.18004	2.8
233.15463	4.6
235.16931	3.9
241.15767	2.1
245.15417	2.4
259.16959	2.7
263.16440	7.0
286.19177	5.7
297.25739	10.9
310.56525	2.0
325.21729	11.2
331.09274	2.2
343.22665	74.3
343.26242	8.9
344.23077	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	5.5
55.01860	5.8
55.05515	15.1
56.63686	1.7
56.83576	1.8
57.03449	8.9
57.07062	8.4
58.24787	1.8
59.04992	8.1
65.03929	2.6
67.05508	31.1
69.03429	10.8
69.07067	5.1
69.62637	13.3
71.04998	20.9
77.03941	1.9
79.05502	29.1
81.03411	3.3
81.07062	36.5
83.04975	8.4
83.08604	2.7
85.06543	7.1
91.05482	37.5
92.56431	1.9
93.07047	76.9
95.04973	58.1
95.08613	87.8
97.06543	19.3
103.05488	4.1
105.07037	91.4
107.04963	4.6
107.08598	54.6
109.06511	21.2
109.10142	6.2
111.08104	2.4
115.05455	10.2
116.06208	2.2
117.07022	35.0
119.08581	36.1
121.06521	18.8
121.10159	17.7
122.07279	2.4
123.08080	31.5
123.22311	1.8
125.06041	2.0
128.06216	4.8
129.06996	5.8
130.07799	19.1
131.08585	11.7
133.06491	7.3
133.10146	16.3
135.08084	29.4
135.11685	19.3
137.05971	4.6
137.09608	7.5
141.07013	2.5
142.07806	4.2
143.08571	14.4
144.09348	3.0
145.06493	4.1
145.10129	100.0
147.08078	13.9
147.11667	8.7
149.09647	8.3
151.07555	58.4
153.09108	3.8
155.08571	4.4
156.09348	3.7
157.10133	12.2
159.08075	4.5
159.11707	9.3
161.09590	9.5
161.13258	4.5
163.07510	3.7
163.11183	59.4
165.09119	21.8
169.10172	5.2
171.11703	7.9
173.09624	7.3
173.13287	6.4
175.11163	6.2
177.09129	8.1
179.07054	5.8
179.08554	3.5
181.10202	2.3
181.12285	3.5
183.11707	2.9
185.09586	2.4
185.13252	4.2
187.11176	7.4
189.12694	10.3
191.10704	2.4
191.14256	4.1
195.11781	3.1
197.13286	5.6
199.11136	2.5
203.14299	12.6
207.13817	8.4
209.13278	2.4
209.15292	3.7
213.12842	3.5
215.14279	4.4
217.12383	5.1
219.36626	1.8
221.15373	35.4
223.14819	2.9
225.12886	3.5
225.16331	1.8
231.14040	2.0
233.15437	4.7
240.23256	3.1
243.13806	2.9
247.16988	2.8
251.14250	3.0
259.16931	3.2
263.16449	8.2
269.15430	3.2
274.19534	2.7
286.19281	2.9
307.20691	3.4
325.21646	13.9
343.22690	92.1
343.26920	4.7
344.22943	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	7.1
55.01865	5.8
55.05513	29.6
57.03429	13.5
57.07064	12.2
59.04993	9.0
60.04485	5.1
67.05505	33.9
69.03428	13.5
69.07060	9.7
71.05003	22.8
71.58496	4.3
79.05500	35.0
81.03400	8.4
81.07073	38.1
83.04956	7.9
85.06531	6.8
91.05475	50.6
93.07058	91.6
95.04978	64.8
95.08613	93.1
97.06533	20.2
97.10134	3.7
105.07036	100.0
107.04914	4.3
107.08608	65.1
108.05704	4.0
109.06515	15.8
109.10131	8.1
115.05474	8.8
117.07028	35.3
119.08599	36.6
121.06494	15.0
121.10139	24.7
123.08063	30.3
128.06226	6.7
129.06995	7.7
130.07773	21.0
131.08565	16.3
133.06502	6.1
133.10149	19.0
135.08058	39.9
135.11690	16.1
137.09622	7.5
143.08540	8.6
145.10130	94.9
147.08026	15.5
147.11739	8.3
149.09633	11.5
151.07545	55.8
152.25285	4.3
155.08578	5.0
156.09348	7.1
157.10114	11.8
158.10995	4.0
159.08028	5.0
159.11699	5.8
161.09601	11.6
161.13309	7.4
163.11183	83.2
165.09157	21.6
166.45370	3.6
171.11720	9.8
173.09578	8.3
173.13293	7.4
177.09140	6.9
181.10144	4.5
183.11705	6.7
187.11165	10.2
189.12799	15.5
195.11719	6.9
197.13275	5.9
203.14302	13.9
207.10167	5.5
207.13799	6.8
209.15274	6.0
215.14151	4.7
217.12183	6.9
221.15401	35.4
240.23207	7.3
241.15695	4.1
247.84911	4.1
263.16455	9.7
269.15433	5.1
286.19312	7.7
325.21667	11.9
343.22714	94.3
343.26447	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	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01865	2.7
55.05498	2.2
57.03427	4.1
57.07067	1.5
61.02916	4.1
67.05490	5.2
69.03129	1.3
69.03436	17.3
69.07069	2.7
69.93452	2.9
69.93867	4.3
70.06588	2.6
71.04974	2.7
72.93784	2.2
73.02914	2.2
79.05479	4.6
81.03429	7.3
81.07060	11.4
81.83636	1.3
83.04994	7.2
84.08087	1.3
85.02431	1.9
85.02913	34.4
86.09709	2.7
87.04462	2.7
90.94836	1.7
91.03960	2.0
91.05482	5.5
91.58344	1.4
93.07050	9.7
95.04981	19.6
95.08589	1.9
97.02882	12.9
97.06533	4.6
99.04485	1.6
105.07018	8.8
107.04974	1.6
107.08617	11.9
109.02866	4.5
109.06541	2.3
109.10223	1.3
111.04414	1.4
114.05331	1.4
115.05459	1.2
116.07056	1.3
117.07011	2.6
119.08632	6.4
121.06516	4.0
121.10153	11.9
123.04472	1.6
123.08048	2.8
125.06002	12.4
127.03909	8.0
129.06999	1.4
130.07788	3.8
131.08560	1.5
132.95850	2.8
135.11742	6.7
144.95842	1.7
145.04935	7.3
145.10135	20.6
147.08009	2.1
158.97459	10.7
161.09633	1.8
162.96971	2.3
163.03946	2.5
163.11197	100.0
164.11531	1.5
165.09140	2.5
175.11185	1.5
176.98543	2.5
177.04926	1.3
181.04977	2.3
181.12247	20.2
183.10127	1.7
216.97971	5.3
223.13348	3.0
234.99028	20.9
253.00021	2.7
293.04736	1.6
311.05396	5.3
343.08395	21.3
343.13168	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	343.1178
Annotation	ISOTECTORIGENIN TRIMETHYL ETHER
Peak:m/z	Relative Intensity
50.78092	0.3
52.39558	0.3
55.05507	0.4
58.10785	0.3
67.05494	0.6
69.07052	0.6
71.05016	0.3
71.60237	0.4
79.05531	0.4
81.07055	0.7
91.05434	0.5
93.07043	0.5
95.04964	0.3
95.08626	0.8
103.05444	0.5
105.03393	0.3
105.07028	0.7
107.04960	0.8
107.08588	0.9
108.37744	0.3
109.10178	0.7
117.52713	0.3
119.08595	0.3
121.06509	2.5
121.10136	0.5
123.04405	0.4
131.05020	0.5
131.08562	0.3
133.10161	0.6
135.04431	0.7
137.05969	0.6
149.06026	0.4
151.03900	3.5
159.11607	0.5
161.02391	0.4
161.06073	0.3
163.03896	1.4
166.36798	0.3
168.04239	0.5
169.06529	0.4
176.04713	0.4
177.05496	0.7
178.06306	3.4
181.04982	0.7
186.06763	0.3
189.16290	0.3
197.05995	0.8
201.05470	0.5
203.06963	0.3
204.04204	0.5
209.06059	0.6
211.07474	0.3
214.06244	5.5
215.07047	0.9
225.05470	2.2
226.06325	1.1
227.07002	0.6
229.05101	0.7
229.08733	0.7
239.07043	2.4
241.08598	1.4
242.05746	5.5
242.08215	0.3
243.06421	0.5
253.04984	13.8
254.05701	0.9
257.08105	5.5
267.06516	4.8
269.04486	0.5
269.07959	0.3
270.05164	1.9
279.06531	0.8
281.04480	1.9
281.08173	1.1
282.05331	1.1
282.08710	0.5
283.06107	0.6
285.07605	17.7
286.07959	0.4
287.12781	0.7
295.06061	2.7
296.06616	0.4
297.07434	1.7
298.04764	6.8
299.09076	0.4
309.07751	0.6
310.08377	1.3
311.08975	1.7
312.09863	0.4
313.07071	65.2
314.07306	1.7
325.21954	0.4
327.08768	1.7
328.09427	18.4
329.09875	0.6
343.11777	100.0
344.12109	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	343.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99203	0.3
53.03946	0.5
65.03941	0.6
67.05500	0.4
69.03435	0.5
70.06609	0.4
70.38329	0.4
71.18443	0.4
71.18755	0.5
79.05518	1.9
81.03407	1.0
81.07040	0.6
85.02919	0.5
86.09707	1.0
89.03925	9.5
91.05474	0.5
95.04945	0.7
107.04968	3.3
109.02869	0.5
111.08240	0.3
115.39503	0.3
117.03385	11.3
135.04431	20.9
137.02336	0.5
137.06013	0.5
139.06345	0.4
140.04718	0.5
145.02859	14.3
145.64032	0.3
147.04385	0.4
148.03951	1.1
149.34969	0.3
163.03918	100.0
164.04283	0.8
166.05060	0.5
181.05002	5.1
186.05464	0.5
196.06133	0.4
219.19717	0.3
283.06091	0.9
301.11667	0.5
325.09509	0.4
343.11545	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	343.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05502	0.5
57.03436	0.5
59.41857	0.3
63.43959	0.4
65.03918	0.6
67.05485	0.7
69.03423	1.3
69.07050	0.4
70.25018	1.5
79.05496	2.1
81.03423	2.9
81.07044	0.9
81.42307	0.4
85.02898	1.7
88.15598	0.4
89.03924	8.0
91.05452	0.4
95.04964	1.1
97.02874	0.7
97.06532	0.4
100.11263	1.7
107.04948	2.7
108.02081	0.5
109.02892	1.4
109.10133	0.5
110.03660	0.6
111.04475	0.5
112.11842	0.4
117.03387	12.0
121.10182	0.5
127.03908	0.8
128.00156	0.4
135.04427	21.6
135.11710	0.4
137.05991	0.8
138.09171	0.4
140.04689	3.0
145.02859	12.5
145.03990	0.8
145.10136	0.4
155.07053	0.6
157.09993	0.4
163.03920	100.0
164.04279	1.0
171.06538	0.6
181.04970	19.6
199.06036	1.1
215.44580	0.4
240.08798	0.4
269.09265	1.5
325.09055	1.8
343.08127	0.9
343.12238	0.6
343.30756	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	343.1176
Annotation	MUNDOSERONE
Peak:m/z	Relative Intensity
53.03929	1.0
55.05515	1.4
55.39272	0.6
57.03414	0.6
65.03929	0.8
67.05511	1.4
67.70597	0.6
69.07055	1.3
71.58497	0.7
77.71343	0.6
79.05489	4.2
81.07053	2.7
83.08614	0.6
91.05476	2.4
93.07043	2.5
94.04210	1.3
95.04970	4.5
95.08611	4.5
101.40427	0.6
103.05447	1.6
105.03428	0.8
105.07044	4.0
107.04977	1.7
107.08593	2.5
108.05749	1.9
108.08917	0.8
109.06518	4.3
109.31937	0.6
111.08105	0.8
113.96394	1.1
116.97204	1.3
117.07062	0.8
118.04168	1.9
119.08590	2.2
121.06506	3.9
121.10140	1.0
123.04452	1.0
123.08105	0.7
124.05242	4.5
125.06015	1.0
131.04962	1.3
131.08577	1.8
133.06496	3.6
133.10144	1.5
135.04416	2.8
135.08043	1.0
136.05151	1.1
137.05984	25.7
139.07556	12.3
145.10149	1.3
146.03670	3.6
147.04445	1.9
148.05200	0.9
149.05995	1.1
150.06779	1.0
151.03912	27.6
151.07533	5.9
153.05547	1.0
155.07124	1.3
157.10124	1.5
159.11717	2.9
161.05989	100.0
162.06750	3.5
163.03908	1.8
164.04657	0.8
165.05479	1.3
165.09119	2.6
167.07068	15.5
169.10162	0.8
171.11656	0.8
173.13272	1.3
175.03802	0.6
176.04694	1.2
177.05469	10.9
178.06244	0.8
179.07042	5.5
181.04985	1.0
183.11794	1.0
185.13286	1.0
189.05478	8.5
191.07042	22.3
192.07820	40.5
193.08591	4.2
195.06587	0.8
209.05777	0.7
219.06593	1.1
242.62195	2.5
251.07005	0.6
253.08594	0.8
269.64740	0.8
279.20987	1.2
294.08936	1.9
297.22107	1.2
312.10260	0.8
315.12262	6.8
325.10605	2.1
325.21503	0.8
328.09595	0.9
341.33572	0.7
343.11780	41.6
343.22696	6.1
344.12173	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	343.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	33.9
57.03441	1.9
64.16261	1.0
65.97513	1.1
69.03413	3.3
69.72829	0.9
70.06585	1.5
70.32201	3.1
71.95274	2.6
73.02893	1.6
77.29648	1.0
81.03403	1.3
84.08117	2.5
84.96027	3.4
85.02905	2.7
89.29504	1.0
97.02889	2.2
98.21362	1.3
98.97586	100.0
110.97572	25.3
112.99133	4.0
116.98621	59.3
124.99157	1.3
128.98607	29.3
130.93303	6.0
131.00146	4.5
134.99673	21.3
135.01260	1.0
140.00191	1.5
142.01772	2.5
143.00153	3.3
143.99651	1.6
146.99641	12.2
149.01228	2.4
150.98163	3.6
152.98596	1.1
153.00684	2.4
158.01208	1.7
158.04871	1.4
158.99677	3.2
161.01215	2.9
163.02751	1.4
163.04916	1.0
168.99210	17.6
170.01294	1.1
170.99620	4.3
172.94339	3.3
174.95924	1.0
177.00746	2.4
181.06064	1.9
182.08208	1.2
182.99669	2.1
187.00281	75.4
189.00676	10.0
190.95432	5.2
198.00685	1.0
201.00560	5.3
202.03926	1.7
205.01340	40.4
207.01736	2.2
211.00270	7.7
214.95416	1.1
223.00372	4.8
223.02171	1.5
224.08008	2.9
229.01338	45.5
231.01791	2.3
232.96446	4.0
241.01334	21.7
243.02972	1.5
247.02409	9.0
249.02867	4.8
253.01347	6.3
259.02365	3.1
271.02313	2.8
283.02301	1.9
290.97174	1.9
301.03424	5.5
307.07056	2.4
318.96518	2.7
319.04520	12.5
320.15631	3.9
337.05508	4.3
343.04529	18.0
343.08362	1.0
361.05600	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48462	12.0
55.05507	27.8
55.50337	12.3
55.50664	11.4
56.00629	12.5
67.05511	85.5
69.07062	46.7
71.11974	24.6
79.05492	60.6
80.71085	11.6
81.07053	100.0
91.05485	45.0
93.07031	62.0
95.04959	18.9
95.08598	42.5
97.06519	24.7
105.07047	43.3
107.08601	49.1
109.10184	32.8
117.07027	29.2
119.08557	48.8
119.49182	12.5
125.09599	13.7
131.08559	19.5
133.10170	39.9
135.11745	16.1
142.04694	12.8
145.10077	19.7
147.11749	18.6
159.11734	27.6
189.16457	13.7
204.50862	13.7
257.19043	18.3
275.19992	42.3
310.75266	13.4
321.10770	14.1
342.37250	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.0
55.05262	5.3
55.05516	67.5
56.05048	2.9
59.05003	3.0
60.04529	55.6
60.67794	2.9
65.03941	3.1
65.85879	3.3
67.05515	27.2
69.03425	4.4
69.07082	28.3
69.30406	3.1
69.51516	8.9
69.51929	13.1
72.04494	4.2
79.05507	33.5
81.07063	25.0
81.74096	3.1
82.34597	2.7
83.04988	4.1
83.08633	37.1
83.39524	2.5
88.07162	3.2
88.07645	34.9
91.05472	20.2
91.16508	2.6
93.07057	25.5
94.06574	3.3
95.04974	7.1
95.08630	18.0
97.06537	4.7
97.10181	77.3
98.21559	3.2
105.07024	18.5
105.77477	3.0
107.08602	100.0
109.10148	6.6
111.08051	3.7
117.06987	6.5
119.08578	9.3
121.06539	3.2
121.10140	7.4
125.09646	80.4
131.08598	3.4
133.10139	14.2
135.08070	15.6
135.11702	6.6
138.45396	3.1
142.41022	3.6
145.10126	18.7
147.11708	8.5
149.09671	5.0
153.09096	18.7
157.10106	3.6
157.12230	7.7
159.11787	6.4
161.13290	3.3
163.11194	3.5
173.13194	3.2
177.66568	3.4
203.12794	86.7
239.17937	4.8
257.19037	11.8
265.08514	3.8
275.20099	44.2
280.10724	3.2
280.26251	6.1
289.21686	13.4
296.24673	3.2
298.27368	12.8
300.66882	3.3
307.22742	5.9
311.12735	6.5
342.17047	6.3
342.30093	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	343.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	6.9
69.67265	7.7
77.97194	1.1
98.21519	1.5
98.97597	33.7
100.49928	1.4
103.16769	1.2
116.97823	1.6
116.98635	26.4
124.88969	1.2
134.96356	1.3
134.99660	7.7
153.00816	1.5
174.97684	5.2
176.97437	3.5
177.01001	6.9
192.95476	1.6
192.98784	5.4
194.98495	2.8
198.86018	1.1
198.97714	1.9
216.95581	1.7
216.98764	18.3
217.04105	1.4
217.98909	2.4
218.98528	11.8
219.02036	10.0
222.97998	1.6
234.96390	6.9
234.99855	27.7
235.99995	4.0
236.99533	15.5
240.98938	5.8
243.02086	1.5
252.97482	6.5
253.00951	2.0
258.96613	6.4
259.00000	37.1
260.00140	3.5
261.00101	2.8
261.03131	14.6
262.03336	1.8
264.99045	3.4
270.99844	2.1
273.98645	1.9
274.97571	1.6
276.97620	18.4
277.01056	24.4
278.01190	3.9
279.00656	3.6
283.00006	65.1
284.00189	5.1
294.98795	2.0
300.97614	36.3
301.01117	100.0
302.01279	9.2
303.01038	1.9
316.98819	1.4
317.98914	1.6
318.98666	54.5
319.02100	6.1
319.98874	1.8
324.02710	2.3
325.01007	11.5
336.99619	1.4
342.00336	2.6
342.98611	10.7
343.02203	56.8
344.02374	6.3
360.99689	27.0
361.03387	10.5
366.03735	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	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38605	1.2
51.07421	1.4
53.03951	1.5
55.05514	7.5
57.07077	14.4
58.63143	1.2
60.44386	1.5
61.02922	2.7
67.05495	1.4
67.88155	1.4
68.76678	1.5
69.03435	5.1
70.06591	4.7
70.83627	3.8
71.04987	1.9
72.08146	1.7
81.03412	5.7
81.07046	1.7
83.08630	3.8
85.02909	17.3
86.09708	2.9
89.06037	34.9
91.03972	1.5
95.04987	1.4
95.52219	1.6
97.02888	4.6
99.04457	1.5
100.07581	2.7
101.09655	13.0
107.07079	39.2
109.02863	2.6
127.03871	2.9
128.07065	2.6
130.06609	1.5
140.04703	3.8
145.04924	2.2
163.03911	3.5
163.13310	100.0
181.04967	19.8
325.09225	2.7
343.12732	6.5
348.14526	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.5
55.01875	18.6
55.05499	39.4
57.07082	20.2
57.19425	14.8
67.05515	74.4
67.62754	14.7
69.07060	42.1
70.75672	47.0
72.08140	17.6
79.05491	65.5
81.07057	100.0
83.04992	21.4
91.05470	41.7
93.07029	64.0
95.04964	16.8
95.08620	68.3
97.06538	20.9
105.07011	37.1
107.08595	57.1
109.10110	32.1
111.08137	16.8
117.07011	16.9
117.07753	14.6
119.08599	42.3
121.06494	16.1
121.10094	18.3
128.01923	15.5
131.08521	33.9
133.10143	38.8
135.11719	28.6
145.10138	15.8
147.11668	13.5
149.13182	30.4
159.11707	16.2
165.64873	16.3
173.13179	19.3
174.18684	13.9
181.12219	24.9
195.13753	20.0
211.44887	14.4
273.02075	13.1
275.19983	39.8
296.09952	16.6
304.03787	16.7
342.16824	24.2
342.37329	35.0
343.88098	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	342.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40137	1.1
53.81829	1.3
56.96571	64.1
69.03445	2.3
70.06579	2.3
70.13516	2.2
70.13918	3.0
71.95248	1.4
72.96046	4.6
74.97616	1.9
76.84877	1.3
77.90717	1.4
81.03432	1.3
83.97643	2.1
84.96041	2.7
85.02917	1.3
86.09710	5.5
91.70481	1.1
98.97598	6.2
116.98606	2.1
124.00788	1.3
124.14491	1.4
126.02289	3.1
128.98595	3.9
130.93289	2.0
132.10149	1.6
140.03825	5.0
142.01762	1.2
142.05411	5.6
144.03343	2.3
146.99615	1.3
158.04884	10.5
160.06494	14.9
170.04921	5.9
171.03299	5.0
172.94368	1.8
176.05927	3.1
178.07532	1.6
186.01909	2.4
188.05943	11.3
189.04387	15.7
190.95424	1.5
206.07001	24.9
206.99940	1.3
207.05507	6.1
207.07315	1.4
224.08075	25.0
273.14767	1.3
301.14349	16.9
302.12674	2.3
319.15427	100.0
337.16434	13.2
342.09732	3.1
342.17096	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	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79966	1.5
57.03429	6.2
69.03419	3.4
69.43093	9.9
69.43508	2.4
70.06586	3.3
71.04984	2.3
72.51845	1.7
79.05456	1.5
81.03418	2.7
81.07050	4.5
85.02914	14.0
91.05796	1.8
94.29327	1.5
97.02892	3.8
98.20692	3.1
99.08097	13.6
109.02827	1.8
109.06554	3.0
117.09138	100.0
124.55708	1.7
127.03915	4.5
127.07557	5.3
134.06050	2.5
162.05571	8.5
162.12772	2.8
163.03978	7.8
163.09645	10.0
222.06372	2.4
280.06720	2.2
296.06265	2.6
342.06796	3.6
360.02786	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	342.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84066	1.7
55.05506	2.3
56.06483	1.4
57.03437	2.0
57.07100	2.3
58.62048	1.5
69.03421	4.2
69.22082	1.4
70.06578	4.3
70.83479	4.2
81.03379	2.2
85.02911	9.1
97.02877	3.9
100.07608	6.4
110.07159	6.7
111.04439	1.4
111.06693	2.1
112.05106	3.4
116.98647	1.5
117.09142	12.5
119.04945	1.4
123.99497	1.4
127.03904	4.3
132.08063	2.3
145.05019	1.4
151.07520	2.2
163.09630	2.4
180.06329	100.0
180.55171	3.4
181.04932	3.0
181.06519	1.7
182.99709	1.9
193.10886	15.9
198.04422	2.3
198.96927	19.6
201.00729	3.4
210.13504	30.1
211.93991	5.2
215.97160	12.2
216.05449	2.4
216.97928	13.5
226.09189	1.5
239.97246	5.7
276.97809	2.9
280.06717	2.2
324.10434	2.3
342.00586	9.9
342.09564	81.0
343.00952	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	342.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75648	0.7
67.05492	1.0
68.31190	0.7
69.07043	0.9
71.58452	0.9
72.61000	0.6
79.28623	0.7
81.07050	1.0
91.05453	0.9
93.07024	0.8
94.07380	0.8
95.08601	2.9
96.08942	1.1
102.38638	0.6
105.07030	1.3
107.08587	3.1
108.08939	1.0
109.10151	1.4
115.05466	9.8
119.08584	3.3
120.08926	1.4
121.10149	0.7
122.10515	0.8
126.84843	0.8
130.06567	1.2
133.10158	1.4
142.06528	100.0
143.06845	1.2
144.04448	5.9
164.70219	0.6
169.07623	1.3
187.14929	0.8
196.65831	0.7
197.07114	35.0
200.15059	0.9
225.06599	71.4
226.06966	1.1
296.24606	1.9
342.21719	0.7
342.25156	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	341.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72924	0.2
55.01868	0.1
68.05034	0.2
69.03420	0.3
70.94436	0.2
70.94772	0.3
77.03907	0.2
89.06030	0.2
91.05479	0.2
93.03411	0.3
95.04907	0.2
96.04511	0.2
97.02909	0.2
103.05465	1.0
111.04442	0.5
118.06539	0.8
120.04499	0.3
121.02885	0.3
125.02361	0.6
127.03931	0.3
128.04994	0.3
130.06534	100.0
131.06882	1.3
137.05983	1.1
138.05516	0.5
138.09789	0.1
139.03906	4.5
140.07126	0.1
144.08072	0.1
146.06000	1.5
151.02672	1.5
154.05020	0.3
158.85909	0.1
163.03951	0.3
166.05009	17.1
167.05435	0.2
175.07600	0.2
187.07581	0.4
188.07089	1.0
192.13490	0.1
194.04346	0.3
212.05553	13.7
213.05850	0.2
217.08623	0.3
225.00270	0.1
227.07152	0.2
231.08211	0.2
255.06708	0.1
263.10751	0.2
270.08939	0.2
271.09677	0.4
276.07840	0.2
291.10187	0.7
295.10791	0.2
308.10437	0.1
311.13034	0.2
323.12735	0.2
341.07144	0.2
341.10834	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	341.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75056	1.1
53.22006	1.0
55.01868	1.5
55.05499	5.1
56.01396	3.5
56.96550	4.8
57.03434	1.5
57.07074	1.8
61.02917	1.7
63.31664	1.3
69.03413	3.8
70.00639	3.7
70.06583	3.8
71.04990	1.1
72.08135	3.5
73.02927	1.2
73.04767	3.6
73.06568	6.2
74.02446	18.6
74.06073	1.4
74.20707	1.0
81.03401	2.2
84.04506	8.8
84.08137	2.2
85.02914	7.2
87.04454	1.2
88.03976	1.5
90.09200	31.8
91.05397	10.4
95.04954	2.7
97.02883	3.8
98.06046	3.4
98.97577	5.7
102.05547	36.2
107.04932	1.4
109.02850	2.1
110.07162	1.2
114.05476	1.4
116.07079	1.6
116.98618	3.4
119.04946	18.5
121.02834	1.5
121.06525	2.2
127.03942	3.6
128.98586	2.1
134.99638	1.4
136.05209	7.3
137.06013	3.0
145.02841	2.2
147.04378	2.8
151.07553	100.0
152.07957	2.3
158.99628	1.6
163.03941	1.8
177.00662	1.8
177.05479	4.8
179.03435	7.2
180.06361	4.5
182.99657	1.2
194.11656	2.7
221.05940	1.7
224.12839	6.3
237.02800	3.4
239.04181	1.5
249.05482	2.0
251.04927	1.4
252.12224	5.6
277.04977	1.7
295.06049	3.2
305.09134	1.4
323.10056	1.5
341.06516	5.0
341.20795	3.9
342.11508	5.4
342.36823	1.2
359.02939	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	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
55.01889	0.3
55.86277	0.3
57.03458	0.4
61.02932	0.6
69.03455	0.9
69.07795	0.3
69.62585	2.0
70.06633	0.4
73.02924	0.3
73.04784	0.4
79.05499	0.4
81.03439	0.9
84.08149	0.4
85.02915	2.5
89.03950	0.7
91.05817	1.1
93.07105	0.3
97.02912	1.8
98.21500	0.5
98.57056	0.3
99.04504	0.5
105.03434	0.6
107.04943	0.6
109.02901	0.6
111.05598	0.4
117.03385	0.5
117.45893	0.3
123.04436	12.1
127.03897	0.5
133.02867	8.7
135.04408	1.8
136.06190	0.8
137.02348	0.8
140.33821	0.3
145.04976	0.5
147.04419	2.3
151.03911	3.8
159.04361	0.4
163.03943	0.7
165.07080	0.3
175.03926	0.8
176.06200	0.4
177.07024	1.0
179.03404	100.0
180.03737	1.1
195.02919	0.4
205.06476	3.1
209.06012	0.4
213.09299	0.3
221.06003	4.8
223.07588	1.5
233.05977	1.8
235.21223	0.4
239.04022	0.7
239.07010	1.1
249.05484	5.5
250.06265	0.8
251.06998	3.2
261.05450	0.4
267.06497	1.9
269.08051	0.5
277.05020	2.6
278.05438	0.5
279.06564	3.4
285.07373	0.5
295.06000	8.1
296.06494	0.8
297.07486	0.9
313.06964	1.2
314.63312	0.3
323.05530	0.4
329.90463	0.3
332.96634	0.3
341.06454	10.4
341.12280	0.6
359.02896	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	340.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.6
55.05497	12.3
57.03429	6.0
67.05179	3.0
67.05511	57.1
69.03429	4.0
69.07052	13.0
69.96187	4.8
69.96609	11.8
79.05493	19.1
81.07060	52.6
82.07393	4.9
82.52700	2.5
83.04982	31.0
83.08595	3.3
85.06532	8.5
91.05477	33.7
93.07062	27.3
95.04966	6.4
95.08633	16.3
99.08096	3.3
105.07033	40.8
107.08590	42.4
109.06507	10.0
109.09455	4.6
109.10166	55.5
111.08090	2.8
113.14909	2.9
115.07629	3.1
117.07017	4.4
119.08582	7.0
121.06511	3.0
121.10125	6.6
123.08095	3.2
123.11703	15.4
131.08560	8.5
133.10135	100.0
147.01538	2.8
149.09644	5.9
151.07533	4.4
151.11188	95.0
161.09537	4.0
163.11238	3.6
177.09151	5.4
179.10701	10.8
183.13844	28.5
252.15884	3.1
263.20251	2.8
273.18454	4.1
291.19479	7.3
305.21042	5.1
340.11847	4.3
340.23343	3.4
340.28903	5.0
340.39468	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	340.988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63753	0.5
54.81763	0.5
54.87046	0.6
56.96323	1.0
56.96571	10.0
58.20571	0.6
69.59079	2.7
69.59487	1.0
71.95253	1.4
85.50391	0.6
98.20813	1.3
98.97590	70.1
99.97959	0.7
114.95590	1.0
116.98631	40.7
132.96597	1.6
134.99664	13.2
140.00201	0.7
141.72235	0.5
156.96629	1.6
174.97675	15.9
177.00899	0.9
185.46738	0.5
190.95621	1.9
192.98735	11.8
198.97556	3.2
208.96759	1.3
210.99759	0.7
214.95634	6.3
216.98718	42.9
217.98862	1.2
219.02014	1.2
221.01776	0.8
232.96698	18.3
233.96872	0.8
234.99763	57.3
235.99951	1.9
238.95750	0.8
240.00272	0.8
240.98795	1.7
247.95355	0.6
249.01349	1.5
250.97784	11.0
253.00821	1.6
256.96689	16.2
257.96835	0.7
258.01437	1.7
258.99777	12.3
261.03189	0.7
274.97739	42.8
275.97900	2.1
277.00864	14.6
278.00949	1.1
280.96811	2.1
282.58554	0.6
289.96506	1.1
292.98740	10.8
293.98959	0.8
297.99426	1.1
298.97760	64.0
299.97928	3.4
316.98816	100.0
317.99036	5.5
318.99261	0.8
331.00360	0.6
332.00656	0.6
334.99945	2.8
340.00461	2.6
340.98810	18.7
341.98883	1.0
358.99872	44.5
360.00092	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	340.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.1
55.05507	5.1
56.01383	3.7
56.96573	21.9
57.03438	4.7
58.06591	4.5
58.74097	2.4
61.02918	6.3
65.03938	2.4
69.03430	11.7
70.06593	19.6
70.75974	7.4
70.98115	4.1
72.08160	59.2
73.02930	3.2
74.02454	17.1
74.42652	2.3
75.09235	6.2
79.57158	2.2
81.03411	4.2
83.65251	2.7
84.04498	8.4
84.08154	20.2
84.96038	4.2
85.02913	27.8
86.09735	2.6
87.04435	2.8
88.99150	3.4
89.10804	40.6
91.05433	13.2
94.25675	2.5
97.02913	12.6
98.06034	6.6
98.97585	40.2
100.07574	3.4
101.00917	3.0
101.07204	2.5
102.05554	40.1
107.00193	2.9
107.06083	3.2
109.02875	3.9
110.07159	8.8
110.97523	3.1
116.98613	19.7
117.03396	3.3
119.01884	4.7
119.04961	19.6
127.03894	9.3
128.98587	13.2
131.00146	2.6
134.99681	8.4
136.05138	3.5
136.06198	3.2
136.07541	3.9
137.06018	3.9
143.00136	3.9
143.58990	2.7
145.01758	3.4
145.02768	13.7
145.04903	2.6
146.99651	18.8
147.04407	5.2
151.07552	100.0
152.06969	3.6
155.08205	3.8
156.07779	2.8
158.99667	7.3
161.02933	3.2
163.02753	5.2
165.00659	12.8
172.94243	6.3
175.04413	3.0
177.00760	6.8
177.04079	3.9
177.05505	32.4
183.05045	2.3
186.99248	2.7
190.95442	13.2
194.03592	3.2
201.00700	6.8
205.00221	16.4
208.96404	3.9
213.00842	3.3
219.01807	10.6
223.01263	12.1
223.14462	7.3
224.12744	4.2
226.07259	3.1
229.00160	2.8
230.98521	8.8
234.11252	18.5
237.02773	10.3
238.03169	2.9
247.01208	9.6
248.99364	2.9
249.58214	2.5
251.13966	10.5
252.12331	5.6
274.97528	11.4
292.98517	6.9
316.98621	5.0
334.99911	3.8
340.05731	5.7
340.22281	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	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01870	4.4
55.05513	3.8
57.07082	1.4
58.39785	1.2
58.94719	1.0
65.03949	1.2
67.05500	6.7
69.03442	2.5
69.07069	12.6
71.04991	13.0
71.14151	1.3
75.62996	0.9
78.89070	1.0
79.05499	12.1
81.03409	5.7
81.07046	3.2
82.03744	1.4
83.04532	1.1
83.04985	6.0
85.02925	1.9
85.06541	8.2
85.30640	1.1
86.09712	100.0
89.03915	1.8
91.05497	11.0
92.05802	1.2
93.07048	12.5
95.04990	3.5
95.08617	1.9
97.06541	1.5
99.08129	2.4
100.11263	8.8
103.05466	1.5
105.07036	15.1
105.43964	1.1
106.07352	1.2
107.04964	6.6
107.08607	17.9
109.02869	2.2
109.06528	3.5
111.04451	6.6
115.05498	1.3
117.03398	5.3
117.07048	5.6
118.03726	3.9
119.08578	10.8
121.06535	8.1
121.10153	11.0
123.08101	1.6
127.03967	1.5
128.10716	4.9
129.06992	3.8
130.07796	1.2
131.08572	23.2
131.89754	1.2
132.10213	31.8
133.10191	1.5
135.04414	4.3
135.08052	1.7
135.11646	1.5
137.05975	1.7
137.09613	5.1
145.02861	9.1
145.06529	3.8
145.10129	15.6
146.03195	10.3
147.08073	5.5
147.11713	3.6
147.49081	1.1
149.05978	4.4
149.09633	37.7
155.08644	1.3
156.10202	1.7
158.28786	1.2
160.11607	1.2
161.06046	1.2
161.09668	1.9
163.03903	4.8
163.07568	3.4
163.11209	17.5
165.09161	5.0
167.07016	2.0
167.10686	46.2
167.12109	2.6
173.09633	4.7
177.05490	12.9
178.05853	20.4
179.10649	1.7
182.15483	2.1
187.07603	1.9
191.10681	32.1
197.16165	1.0
206.15352	2.0
208.13362	1.1
209.11746	33.8
209.16516	1.6
210.14926	8.7
227.17628	1.8
234.18483	1.0
238.10567	1.8
238.14552	2.6
252.16089	1.4
256.15445	2.1
258.18521	4.8
262.09286	1.3
262.36496	1.2
276.19565	16.5
276.72787	1.3
294.20630	10.5
304.18982	3.5
309.11145	1.2
322.09964	5.0
322.20169	16.4
340.09219	2.0
340.21176	8.5
343.30798	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	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13802	1.1
53.03940	4.0
55.01870	6.4
57.03439	6.1
57.41201	1.3
58.59034	1.3
61.02922	5.3
68.99792	2.9
69.03432	33.4
69.58969	8.4
70.06592	1.3
71.04988	4.1
73.02924	6.7
74.64499	1.1
81.03418	22.7
84.07593	1.3
84.62489	1.2
85.02911	100.0
87.00836	45.3
97.02904	34.8
98.20752	2.6
99.04469	13.0
105.01875	86.4
108.04481	1.3
109.02882	28.0
111.78255	1.2
115.03992	1.7
117.01871	2.0
117.03359	3.3
118.03716	3.5
121.94273	1.1
127.03927	80.3
129.01837	2.6
131.83530	1.3
145.02927	7.8
145.04965	31.7
146.03186	9.9
147.02867	2.4
149.06018	1.7
159.02901	12.6
177.04094	1.8
177.05441	7.1
178.05914	13.3
189.03961	4.1
213.03885	2.3
231.05009	21.1
249.06087	5.2
283.91983	1.3
322.09943	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	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01886	3.7
57.03433	6.6
57.07072	3.4
61.02925	7.6
66.83543	2.4
69.03436	36.4
70.06590	12.5
71.05005	5.9
71.05450	6.1
72.08154	5.1
73.02912	3.3
79.05522	2.7
81.03433	15.6
84.04522	2.8
85.02913	96.9
87.00838	42.7
91.05453	2.7
93.07085	2.7
97.02905	39.5
99.04469	10.8
102.05559	4.8
105.01878	100.0
109.02894	19.2
110.06052	5.6
110.07180	7.7
111.04461	3.2
116.07110	10.2
119.04942	4.0
127.03926	64.6
130.06509	3.1
132.04462	4.7
132.08162	2.6
136.04863	2.4
136.05084	3.1
136.06204	38.3
136.07271	4.0
136.07652	4.0
144.94940	2.6
145.02925	4.3
145.04962	36.4
147.04427	15.4
148.04776	3.6
151.07617	6.4
156.07689	4.6
159.02919	11.3
160.07571	11.2
163.03949	7.4
164.07062	6.9
165.07465	3.8
177.05444	6.6
178.05861	6.2
178.08621	12.5
179.03416	11.0
180.03802	5.4
182.08177	5.4
183.08485	7.3
189.04025	3.3
202.08572	3.1
203.03424	5.3
204.03848	4.0
205.06563	5.9
221.06013	11.5
223.07582	5.5
231.05043	22.6
233.06059	3.6
242.25427	3.1
249.05910	28.5
251.07080	5.6
267.06458	5.6
277.05002	6.4
279.06509	10.3
295.06039	20.3
340.08249	3.3
341.06598	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	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51577	2.6
53.03936	6.9
55.01876	5.5
56.70232	2.5
57.03426	6.0
61.02931	7.8
69.03434	47.4
70.06596	5.7
70.87433	6.3
70.87766	3.7
71.04996	7.9
72.08146	3.7
73.02928	4.0
81.03427	28.4
85.02911	100.0
87.00834	45.2
97.02900	51.6
99.04482	21.8
102.05527	3.1
102.59480	2.7
105.01871	73.1
109.02876	25.0
119.04950	3.0
123.04425	3.3
127.03925	92.9
137.02341	5.8
145.02946	3.4
145.04965	51.1
146.03195	5.7
147.04460	16.9
159.02925	9.0
175.03944	7.0
177.05495	7.4
177.07019	7.5
178.05841	4.0
189.04001	4.1
205.06493	19.9
211.07680	3.2
213.04138	3.2
221.06047	37.3
222.06541	3.2
223.07581	9.8
228.27757	3.2
228.35556	2.8
231.05005	35.4
233.06056	8.1
239.07016	7.2
249.05582	46.4
250.06252	5.5
251.07050	23.7
261.05457	4.2
266.05347	3.8
267.06534	13.6
269.08148	4.4
277.05045	21.6
279.06592	22.0
280.07574	3.2
295.06039	49.6
296.06653	3.6
297.07794	4.7
301.03995	3.3
313.07068	7.1
323.05469	4.0
340.05051	3.9
341.06549	84.7
341.10693	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03938	4.7
55.01868	2.7
55.05515	18.8
57.03435	7.2
57.07069	7.2
59.04988	1.9
65.03941	3.5
67.05511	100.0
67.59264	2.4
68.69418	2.2
69.07073	14.7
71.05022	2.6
71.08647	2.3
71.58954	3.9
79.05498	46.3
81.07063	98.4
83.04995	2.8
83.08627	7.9
85.06544	4.4
85.75951	2.1
86.09716	5.3
91.05481	25.2
93.07050	67.7
94.29848	2.5
95.04984	4.2
95.08613	95.7
97.06518	3.9
97.10178	4.7
98.31122	1.9
99.08121	3.9
105.07034	25.4
105.85423	2.1
107.08600	48.6
109.06514	3.1
109.10162	51.4
110.96904	2.0
117.07044	7.6
119.08607	22.4
121.10162	49.1
122.06042	9.6
123.11718	23.3
131.08577	20.3
132.31490	2.6
133.10132	19.2
135.11703	36.4
136.07617	5.6
137.09717	2.8
137.13272	5.6
139.11151	2.9
145.02951	3.2
145.10141	25.3
147.11700	19.5
148.07489	2.4
149.13249	21.1
151.11165	3.4
156.09282	2.5
159.11722	22.2
161.13341	5.3
163.14821	7.2
165.12779	2.5
172.03957	8.5
173.13292	18.4
175.14848	3.2
185.13287	2.8
187.14847	6.1
199.14742	2.5
201.16521	2.8
204.06531	10.8
219.21046	3.3
229.11969	2.4
229.19534	31.7
247.20584	87.3
265.21579	6.1
283.16907	9.4
315.92072	2.4
321.24112	11.5
339.13181	5.7
339.25797	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	339.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01863	0.9
55.05507	2.6
57.03427	1.6
61.02919	1.0
65.03926	0.7
65.48133	0.5
67.05168	0.7
67.05508	12.1
68.99786	0.9
69.03432	22.2
69.03810	1.1
69.07049	1.3
71.04995	1.0
71.08472	0.5
71.59298	0.7
73.02180	0.4
73.02917	0.7
78.04688	0.5
79.05495	5.7
81.03425	7.4
81.07058	4.0
82.01929	0.5
83.05016	0.9
83.08624	1.3
83.54270	0.4
85.02914	5.1
85.06540	0.6
87.00822	1.9
89.03919	7.8
91.05482	6.1
93.07059	5.4
95.04982	2.7
95.08617	2.9
97.02902	2.3
97.06523	0.9
99.04461	1.7
99.08043	0.6
99.91038	0.5
103.04008	0.6
103.05486	1.0
105.07032	5.1
106.04158	1.7
107.04930	2.1
107.08588	3.2
109.02888	3.0
109.06510	1.8
109.10159	5.2
110.28706	0.4
111.04440	1.1
111.08086	5.4
113.06004	0.7
115.03934	0.4
115.05479	0.9
117.03385	25.5
117.07025	1.7
118.04174	0.6
119.04945	1.1
119.08582	2.7
121.06499	1.6
121.10139	2.4
123.04432	1.1
123.08068	0.8
125.09608	0.6
127.03918	1.3
129.01857	0.9
129.07018	1.4
131.04922	0.9
131.08582	2.9
133.06508	2.3
133.10149	1.9
134.03636	1.8
135.04430	1.9
135.08063	1.8
135.11760	0.6
137.05986	1.8
137.09601	1.8
139.11198	0.6
143.08572	1.1
145.02853	57.2
145.10181	2.2
146.03204	0.7
147.04430	1.1
147.08046	1.0
147.11668	0.7
149.05995	8.9
149.09612	3.6
157.10089	0.9
159.08096	1.1
161.05995	1.9
161.09608	1.5
163.03856	0.8
163.11176	1.6
171.08076	0.7
171.11615	1.1
173.09612	0.9
175.07484	0.9
175.11192	1.3
177.05481	100.0
178.05856	1.3
179.10707	1.2
186.05559	0.8
187.11101	0.6
189.12689	1.2
191.10638	1.1
193.12209	0.7
195.06487	1.3
196.96686	0.5
199.11215	0.9
205.06494	2.0
207.13867	0.5
215.07196	0.7
217.12277	3.0
233.05998	0.7
235.13297	4.1
246.31058	0.5
250.06293	1.2
251.07030	0.6
253.14395	0.8
275.07108	0.6
279.06244	0.6
279.08899	0.8
281.04373	0.9
307.09625	1.0
321.09698	5.5
321.13354	3.5
339.08679	3.8
339.11658	1.2
339.14581	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	339.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86579	0.2
53.03944	0.8
54.66832	0.3
55.01862	0.4
55.05505	0.3
63.02375	0.4
65.03944	2.1
67.05515	2.5
69.03436	1.9
69.07069	0.3
69.63927	0.6
69.64334	1.1
77.03925	0.5
79.05502	2.0
80.05029	0.4
81.03423	4.2
81.07057	0.6
83.76463	0.3
85.02916	1.1
89.03928	3.8
91.05487	2.3
92.04994	0.5
93.05785	0.9
93.07059	3.2
94.06576	5.3
95.04955	1.1
95.08590	0.3
96.04487	0.4
99.04456	0.7
103.05477	1.9
105.03358	0.3
105.05772	0.5
105.07016	0.8
107.04970	0.4
107.07383	0.4
107.08601	0.7
108.08143	2.5
109.02860	1.6
111.04467	0.3
114.81281	0.3
116.04987	12.3
117.03386	4.5
118.06544	1.6
119.07294	0.7
119.08589	0.3
120.04464	0.7
120.08107	6.3
121.06520	0.4
121.10145	0.3
122.06036	94.1
123.06347	1.0
127.03922	0.6
131.08533	0.4
132.04451	0.7
132.08099	0.8
133.06409	0.3
133.10086	0.3
134.03595	0.4
134.06018	0.6
135.04440	0.4
135.11674	0.7
136.07584	61.1
137.07951	0.7
138.05521	4.7
144.04451	23.4
145.02850	11.3
145.04767	0.5
146.06013	4.2
147.04359	0.3
147.11697	0.6
148.03937	0.6
148.07582	12.3
149.05974	1.6
149.13290	0.8
152.07066	1.7
153.07288	0.3
156.04454	0.4
158.06038	0.5
158.09717	0.5
160.03952	1.1
162.05510	7.7
164.07059	0.4
166.08723	0.5
170.06071	0.4
172.03941	78.3
173.04312	1.1
174.05539	5.4
176.03461	0.4
176.07112	0.7
177.05479	19.6
177.12724	0.7
186.05464	0.5
189.04233	0.4
190.05003	1.2
195.06541	0.7
204.06569	100.0
205.06816	1.9
207.09174	0.6
208.09933	1.0
209.10814	0.5
216.06647	0.5
218.08167	0.4
221.07265	0.6
221.10831	0.6
221.33882	0.3
222.03925	0.5
222.07857	0.8
223.12195	1.3
225.10342	0.4
230.08096	0.4
234.09181	1.0
235.08653	0.8
236.09433	2.9
237.10364	1.3
248.08159	0.3
249.06657	0.3
250.06419	0.3
250.11006	0.6
251.11830	5.0
252.12512	0.4
253.09805	0.5
263.08066	0.3
264.08969	1.3
265.09674	0.7
267.07800	0.4
267.11151	0.4
268.11981	0.4
275.06903	0.3
277.93228	0.3
279.11316	5.7
280.11926	0.3
281.09006	0.8
281.12241	0.3
295.10587	0.3
296.11533	0.4
307.10797	2.3
309.08521	0.7
311.13879	4.5
321.09753	3.2
324.11157	0.3
325.11783	0.3
339.08978	2.2
339.13388	28.2
340.13602	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	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.67836	0.2
53.03943	1.5
55.01881	0.5
57.03441	0.9
61.02918	0.7
62.01586	0.3
63.02398	0.8
65.03941	0.2
66.16242	0.2
67.05512	0.7
69.03436	5.8
69.53035	1.5
69.53455	0.4
71.05000	0.5
73.02969	0.2
78.04736	0.3
79.05492	0.3
81.03421	10.4
81.07064	1.1
85.02905	4.1
86.77236	0.2
89.03400	0.5
89.03924	7.8
91.05485	0.7
93.07050	0.8
94.32625	0.2
95.04982	0.5
95.08629	0.7
97.02905	1.8
99.04449	1.5
103.05447	0.4
105.07011	0.5
106.04171	0.6
107.04942	0.4
107.08604	0.3
109.02887	4.3
109.06531	0.3
109.10141	0.4
115.22646	0.3
117.03385	25.1
117.07007	0.3
119.04990	0.4
119.08588	0.6
121.06493	0.5
122.06043	0.5
127.03899	1.9
131.08609	0.4
133.10139	0.4
134.03642	2.0
135.04439	1.6
137.05971	0.4
137.09650	0.5
145.02850	56.7
146.03174	0.8
147.11610	0.3
149.05989	7.8
156.60820	0.3
162.03175	0.4
163.03853	1.2
172.04028	0.4
177.05476	100.0
178.05777	1.5
178.85594	0.3
180.53403	0.3
186.05482	1.1
195.06511	2.6
204.06522	0.7
205.06537	0.4
247.16937	0.3
266.84290	0.3
307.09637	0.4
319.78613	0.2
321.09708	10.2
322.10147	0.2
327.50375	0.2
339.10971	2.7
339.23102	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	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.43878	0.5
53.03950	2.8
55.01863	0.6
57.03418	1.0
67.05518	0.6
67.19647	0.5
69.03141	0.5
69.03439	6.4
69.38435	3.8
71.04990	1.2
73.02897	0.8
75.10551	0.4
77.71804	0.4
79.05484	1.1
81.03423	24.2
81.07055	0.8
85.02907	6.5
89.03912	8.6
91.05476	1.5
93.07018	1.2
97.02892	2.0
99.04450	2.0
103.05482	1.0
105.07047	0.7
106.04175	0.5
107.04954	1.3
107.34141	0.5
109.02886	7.2
117.03381	28.0
118.04230	0.6
119.04910	1.0
122.06020	1.2
127.03913	1.8
129.06990	0.5
131.04935	1.9
131.08505	0.7
134.03618	1.9
135.04407	2.1
136.07619	0.7
145.02850	59.2
146.03151	0.7
147.04417	1.1
149.05986	8.6
163.03937	1.0
167.07076	2.5
172.03955	1.1
176.04688	0.9
177.05473	100.0
178.05766	1.1
185.06000	1.0
186.05467	1.0
189.06992	0.6
190.07846	1.3
191.07019	3.9
191.08429	0.9
192.07790	1.0
194.05803	0.6
195.06519	3.3
202.07779	0.8
203.08537	0.8
204.06349	1.1
205.06445	1.0
205.10069	0.8
215.08559	1.5
218.07272	2.5
219.08009	4.0
219.51688	0.5
231.08138	0.7
233.06050	0.5
233.09590	2.0
235.07524	1.0
236.04712	0.5
236.08261	0.6
243.08063	0.8
246.06760	1.1
247.07544	3.5
248.08258	1.1
250.06120	1.0
257.06094	0.5
259.07498	0.9
261.09113	2.9
263.07095	0.8
264.07922	1.5
265.08487	0.7
275.07016	6.2
276.07770	1.2
277.08582	1.0
279.10095	2.0
284.84872	0.5
289.08676	1.3
292.07291	1.7
307.09616	10.6
308.10358	0.5
311.09717	0.7
321.09634	20.8
322.10004	0.9
339.08807	1.9
339.12701	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	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.8
55.01880	0.6
55.05518	0.3
55.91850	0.2
57.03431	0.9
58.70396	0.2
58.97263	0.2
61.20066	0.3
65.03947	3.6
67.05503	0.9
68.99795	0.6
69.03433	6.4
70.73191	0.8
71.05016	1.3
77.59072	0.2
79.05495	0.6
81.03426	15.6
81.07095	0.4
83.01298	0.3
83.04980	0.7
85.02915	4.7
87.00829	1.7
89.03928	0.8
91.05489	100.0
92.05812	1.2
93.03417	0.3
93.07061	0.6
95.01328	0.3
95.04993	0.7
97.02904	2.3
99.04472	2.8
102.61061	0.2
103.05499	0.4
105.01868	0.6
105.07062	0.7
107.05001	0.4
109.02888	12.3
111.04473	1.0
117.03385	2.4
117.06987	0.5
119.08643	0.3
121.02850	0.3
121.06499	0.5
122.06046	0.4
123.04471	0.7
125.02360	0.7
127.03927	8.8
127.05370	0.4
129.01903	0.3
131.08560	0.3
133.06451	0.3
134.03638	0.3
135.04439	0.6
136.07672	0.2
137.06023	0.6
139.03963	0.3
143.08594	0.3
145.02855	5.3
145.06529	0.4
147.04465	0.7
149.06023	1.1
149.09654	0.3
151.03934	0.9
161.05984	0.4
163.03893	0.5
164.07092	0.4
165.05469	0.3
171.08090	0.6
177.05481	9.6
181.06578	0.4
189.05501	0.7
195.02943	0.3
205.06532	0.3
207.06583	0.3
208.15112	0.3
213.03967	0.8
217.08591	0.3
223.90614	0.2
231.05083	0.5
233.05971	0.3
235.06073	0.6
253.07420	0.3
268.30359	0.2
275.06992	0.3
307.09702	0.5
321.09744	1.7
339.08249	0.9
339.12128	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	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28904	0.2
53.03944	1.0
55.01870	0.3
55.05519	0.3
57.03440	0.5
61.02922	0.5
61.35911	0.3
63.02392	0.4
67.05500	1.2
69.03435	4.9
69.07080	0.7
70.30267	0.3
70.63013	0.6
73.02909	0.5
78.04675	0.4
79.05500	0.6
79.35586	0.2
81.03420	8.4
81.07056	0.9
83.04967	0.4
83.08639	0.3
85.02905	4.0
89.03922	7.0
91.05473	1.5
93.07050	1.7
95.08603	0.7
97.02885	1.1
99.04465	1.0
103.05457	0.7
105.07040	0.9
105.26701	0.3
106.04207	0.5
107.04919	0.5
107.08645	0.4
109.02884	3.0
109.10169	0.4
111.04449	0.6
117.03386	23.3
118.03623	0.3
119.04917	0.5
119.08594	0.5
121.06540	0.3
121.10136	0.5
122.06026	1.5
124.05227	0.3
127.03920	2.0
131.04842	0.3
131.08589	0.5
133.10124	0.4
134.03654	2.0
135.04420	1.2
136.07579	0.5
137.05984	0.4
145.02852	56.5
146.03200	0.7
147.04427	0.6
147.11700	0.5
149.05995	8.1
159.11670	0.4
160.05194	0.7
163.03922	1.3
169.10048	0.3
172.03957	1.0
175.03804	0.3
177.05479	100.0
178.05762	1.4
180.55586	0.3
186.05516	1.3
193.88976	0.3
195.06566	2.3
203.03320	0.6
204.06642	1.6
205.06404	0.5
233.05995	0.4
237.10297	0.5
251.07956	0.3
279.06494	0.4
307.09283	0.6
321.09686	7.5
324.71008	0.3
336.47479	0.3
339.09814	1.6
339.17899	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	339.1076
Annotation	4-Methylumbelliferyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.11940	0.5
53.03954	4.1
55.01864	1.2
55.05517	0.6
57.03444	1.1
59.90750	0.6
63.02373	0.8
67.05499	1.5
69.03082	0.6
69.03434	7.9
70.50201	1.4
70.50565	1.0
71.04992	1.3
79.05481	1.6
81.03423	26.3
81.07037	1.5
85.02917	5.7
88.03214	0.5
89.03915	8.3
91.05477	2.1
93.07037	1.0
94.06563	1.2
95.04958	1.4
97.02901	3.5
97.71336	0.5
99.04446	2.2
103.05450	0.9
105.07026	1.1
106.22000	0.5
107.05018	0.9
108.08109	0.9
109.02133	0.7
109.02889	15.5
111.04443	1.3
116.04982	4.9
117.03392	26.2
119.04929	0.8
120.08112	2.6
122.06039	29.8
123.04413	0.8
125.02371	0.6
127.03922	4.4
131.98213	0.6
133.10104	0.6
134.03592	1.9
135.04413	2.1
136.07584	19.8
137.02309	0.9
137.05957	0.7
137.07921	0.6
138.05458	0.8
144.04453	8.7
145.02858	57.3
146.03157	0.9
146.06032	1.4
147.11687	0.6
148.07607	3.5
149.05997	8.9
151.03914	1.8
162.05527	2.8
163.03893	1.8
172.03952	25.6
174.05527	1.8
177.05482	100.0
178.05806	1.0
186.05539	1.0
189.05449	1.0
195.06499	2.8
204.06584	29.9
205.06514	1.7
210.21962	0.6
213.03906	0.7
234.09250	0.7
235.05946	1.0
237.10248	1.2
251.07240	0.6
251.11812	2.0
279.11240	1.9
297.07562	1.3
311.13867	1.6
321.05930	0.9
321.09705	17.9
322.10165	0.7
339.08942	3.6
339.13403	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	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03947	0.5
55.01867	0.4
57.03438	0.6
58.56156	0.3
61.02945	0.4
63.02379	0.4
69.03430	1.4
69.07068	0.4
69.66081	0.3
69.76273	1.7
70.06602	0.4
71.04995	0.9
73.02935	0.4
79.05493	0.4
81.03425	4.1
85.02910	1.8
89.03918	7.7
91.05476	0.7
97.02923	1.6
99.04456	3.7
103.05505	0.5
105.01871	0.3
105.07034	0.4
109.02905	1.9
117.03387	24.8
121.06507	0.4
127.03905	1.7
134.03654	1.8
135.04449	1.8
137.05986	0.6
145.02853	57.0
146.03154	0.7
147.04413	0.3
149.05978	8.0
163.03908	1.1
177.05479	100.0
178.04964	0.3
178.05920	0.7
180.06587	0.4
186.05484	0.8
188.08275	0.5
195.06535	7.1
321.09769	3.4
322.13904	0.9
339.11102	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	339.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72594	0.6
53.93639	0.6
55.01872	0.9
55.05481	0.6
55.15067	0.6
56.96549	0.9
57.07088	0.6
57.91670	0.6
67.05508	0.8
69.03426	2.5
69.43491	0.7
70.06603	3.1
71.05013	0.8
71.57601	1.0
71.57954	0.8
78.67855	0.6
79.05515	1.4
81.03416	1.1
81.13792	0.7
82.06582	0.8
84.08160	0.9
85.02921	2.7
87.71860	0.7
89.03921	4.3
90.73330	0.6
95.01328	2.8
97.02921	1.3
98.97566	1.1
103.05479	1.4
105.01862	1.0
107.04975	2.3
109.02907	1.1
110.06059	0.8
116.98620	1.0
117.03383	6.2
119.04966	1.6
120.08102	1.0
121.02885	2.3
122.06029	0.7
123.04429	2.6
130.06544	1.1
131.04948	2.1
131.06816	1.1
132.04416	1.6
133.04797	1.4
135.03391	1.0
135.04424	19.0
141.01820	1.1
145.02846	8.4
145.06528	0.7
147.04417	26.6
148.52437	0.7
149.02341	4.3
149.05960	1.0
158.06050	0.9
159.04424	1.1
159.06369	1.6
161.05942	1.6
163.03917	95.5
164.04318	1.9
164.07085	1.0
165.06995	0.9
171.04454	0.7
173.05945	1.1
175.03976	5.4
176.07166	0.8
177.01909	3.9
177.03954	1.8
177.05501	6.6
177.06987	1.1
179.03421	3.7
179.62077	0.7
185.05913	1.0
187.03929	2.6
189.05527	1.4
191.03392	1.5
193.04846	1.0
203.03406	100.0
204.03741	1.9
205.04997	2.9
209.06018	1.1
213.00758	0.8
215.03447	4.7
219.02997	1.5
221.06155	0.7
229.05017	2.7
231.02905	11.2
233.04510	3.8
237.05515	1.0
253.94321	0.8
261.03955	6.7
265.04904	1.2
279.05057	7.1
285.12332	1.2
291.04956	6.0
293.04431	1.7
296.67639	0.9
303.13354	1.7
311.05566	1.1
321.06134	1.0
321.14435	1.0
339.04108	1.6
339.07172	2.6
339.10812	1.1
352.57651	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	339.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03704	1.1
53.03950	16.7
55.01877	7.7
55.05479	1.5
57.03432	2.2
58.60154	0.9
65.03940	1.6
67.01865	1.2
67.05497	3.7
68.17390	0.9
68.99805	5.1
69.03436	16.8
71.01357	2.0
71.04977	2.3
79.05482	3.9
81.03423	94.0
81.07062	1.8
83.04989	2.6
85.02910	11.0
87.00851	5.3
89.03907	4.4
91.05489	4.7
93.03412	1.2
93.07037	1.6
95.01315	3.1
95.04972	6.0
95.08614	1.9
97.02901	17.3
99.04467	7.1
101.02351	1.8
101.62894	1.0
103.05468	1.7
105.07016	5.6
107.04945	4.0
109.02889	100.0
109.06498	1.0
110.03665	1.6
111.04428	6.7
113.02381	1.1
115.05456	2.1
116.79208	0.9
117.03390	11.0
118.82194	0.9
119.04905	2.7
121.02871	4.4
121.06549	1.0
122.06042	2.8
123.04432	7.0
125.02362	9.7
127.03932	28.1
133.06470	3.2
134.03676	1.8
135.00745	1.3
135.04471	5.2
136.07588	2.1
137.02284	2.4
137.05974	3.4
139.03857	1.5
144.04361	1.0
145.02863	26.6
145.06578	1.1
147.04453	5.5
149.02345	3.2
149.06007	7.1
151.03915	11.4
153.01840	1.2
161.05963	4.3
163.03932	4.2
165.05489	3.1
171.02901	2.0
172.03915	2.5
175.03845	1.2
177.05492	52.1
179.07027	1.9
189.05527	7.0
191.03395	1.2
193.05032	2.6
195.02962	1.7
195.06552	2.0
204.06573	2.7
207.06537	2.7
213.03966	7.0
217.04974	3.7
233.06104	1.1
235.06039	10.7
250.06296	1.2
253.07045	3.9
265.09619	1.2
278.05731	1.3
311.13129	1.0
311.23978	1.0
321.06375	1.5
321.09760	8.3
339.06891	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	339.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29337	8.8
56.96561	17.7
58.72057	9.5
67.05509	19.5
69.03441	11.3
70.06598	25.6
70.33320	30.2
79.23901	9.0
81.03402	11.9
81.06976	7.8
84.04523	13.1
84.08186	10.9
85.02905	17.8
87.96951	8.8
89.03876	9.4
90.15418	8.3
91.05512	13.9
93.07072	10.2
95.08619	15.6
97.02880	25.8
98.20800	12.1
98.97578	28.3
105.07048	11.0
105.80700	8.4
110.06045	9.9
110.97468	10.8
111.04443	10.1
117.03375	25.1
122.06027	10.8
123.04419	11.4
136.06184	15.3
136.07613	43.7
138.05495	9.2
145.02827	32.5
147.04399	24.7
152.07098	31.4
163.03923	25.9
164.07066	30.2
165.44215	9.7
166.08698	15.7
177.05431	58.9
179.03406	100.0
179.69171	8.7
182.08139	16.6
203.03542	21.2
210.96982	8.9
213.00742	21.1
218.97327	9.9
232.09300	9.7
237.02864	19.1
237.05330	14.0
271.84479	9.6
275.13727	10.5
276.12213	13.3
303.13373	31.7
311.05627	16.4
321.14383	26.7
334.63037	10.6
339.04541	61.0
339.15405	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	338.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
55.05508	1.1
57.03429	1.3
58.06590	3.6
67.05483	0.7
69.03422	3.4
70.06599	17.6
71.05009	1.2
71.58395	0.9
71.58770	0.9
72.04508	1.3
72.08160	55.8
73.07677	1.6
75.04170	1.2
75.09250	1.1
80.05894	0.8
81.03428	2.8
81.07037	1.8
84.04491	2.4
84.08153	10.3
85.02913	9.1
86.09686	2.5
87.00824	2.7
89.03921	2.7
91.05492	1.7
93.07070	1.0
95.08601	1.1
96.08951	0.8
97.02908	3.9
98.09679	4.9
99.04460	0.9
99.10456	0.8
100.07619	17.5
105.01913	4.0
105.07038	1.4
107.08598	0.8
109.02879	2.3
110.07174	0.9
110.09691	10.8
117.03387	11.8
117.07067	1.0
119.04952	1.4
120.08063	1.1
121.06520	1.0
122.06001	1.4
127.03923	4.7
127.12318	3.5
128.10750	4.0
130.04997	0.8
130.06517	2.8
132.04391	1.0
134.06013	1.0
135.04417	1.6
136.07545	1.3
137.05977	2.0
142.40913	0.8
145.02855	51.8
145.04755	1.6
146.05951	0.8
147.04430	2.3
148.07581	1.9
149.06001	6.7
159.02934	1.6
160.62019	0.9
162.16042	2.0
163.03905	2.5
171.11293	4.2
176.03506	1.3
176.07088	2.8
177.05487	100.0
178.05830	1.3
179.03395	3.4
187.14401	1.4
191.09441	1.8
203.03418	2.6
206.11806	7.8
231.04913	1.1
234.11270	94.4
235.11565	1.6
237.05515	1.2
267.13483	3.1
283.98343	0.8
284.11023	0.9
286.36166	0.8
293.04422	0.9
311.05484	1.2
321.18109	16.0
338.20770	58.9
339.05035	2.3
339.21152	1.3
359.63361	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	338.1237
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
52.98974	0.9
53.03941	2.7
55.01863	1.3
57.03441	2.1
58.06601	1.1
61.02923	3.2
66.51289	0.8
69.03439	9.7
70.06586	6.8
71.04988	2.0
71.59316	1.4
72.08164	9.2
72.48689	0.8
73.02905	1.8
79.05482	1.0
79.55284	1.0
81.03412	5.3
81.80730	0.9
84.04523	1.2
84.08172	2.0
85.02910	34.0
86.09715	2.0
87.00824	1.2
88.55447	0.8
91.03947	1.2
91.05466	1.5
97.02893	10.0
99.04443	1.7
100.07604	1.9
102.05437	1.1
103.05456	1.8
104.04963	1.8
105.01854	1.6
109.02881	2.8
110.06041	1.7
118.06518	3.1
119.04952	1.4
120.08114	11.2
127.03936	6.6
129.74274	0.9
130.06538	100.0
132.04460	76.5
132.08041	1.4
134.05992	1.4
135.04445	2.0
136.07581	2.5
140.07092	1.1
141.09137	2.2
144.08055	5.8
145.02873	9.2
145.05006	5.1
146.06042	5.4
147.04428	7.2
148.07588	27.5
158.06029	27.8
158.08078	1.3
162.09174	1.1
163.03877	3.2
164.07088	3.4
172.07588	7.7
174.05519	4.5
176.07086	50.8
177.05501	13.5
178.09941	0.9
179.03383	2.9
182.08186	1.5
188.07079	3.4
190.08629	1.6
200.07074	4.0
203.03452	2.7
218.08089	7.5
224.07172	0.9
234.11281	11.4
242.08061	1.6
244.21239	1.0
287.31326	1.1
302.10303	1.6
320.11078	1.1
321.18073	2.5
333.34421	1.0
338.12399	2.1
338.16611	0.9
338.20755	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	337.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.9
61.12812	1.3
63.26106	1.8
65.03936	6.9
67.05508	2.4
67.54308	1.9
71.57895	1.8
73.02927	2.3
79.05488	2.3
80.05000	1.6
81.07053	3.7
85.02901	2.3
91.05475	3.5
92.05013	9.9
96.08152	10.5
96.30016	1.8
105.03417	9.1
106.06525	1.6
108.08160	1.5
122.06081	4.3
123.04429	1.9
124.07609	7.3
126.09164	15.5
138.05473	3.7
138.09132	4.0
142.06604	1.6
144.08076	1.6
148.03922	4.1
150.05531	2.4
150.09125	2.1
152.03456	1.6
152.07086	51.0
155.15813	1.3
156.08179	1.5
157.10239	1.3
158.73709	1.5
159.11568	1.6
163.03929	1.8
166.05017	100.0
176.03481	16.6
180.06570	3.5
182.04535	16.0
194.04495	12.0
198.07753	6.8
198.39095	1.6
199.08665	3.2
200.10756	3.2
209.10930	2.3
211.08774	1.8
212.09492	5.1
215.08188	2.9
225.10329	3.6
227.08211	2.2
227.11829	5.5
228.10246	5.6
229.13293	3.8
233.09259	4.1
239.08253	1.5
240.08955	5.5
241.09645	2.7
243.11238	2.1
245.09415	1.7
253.09718	5.9
255.11317	8.0
257.09207	5.1
257.12836	3.8
259.07175	5.9
261.12201	2.6
270.10150	2.1
271.10846	16.8
272.09174	3.1
273.12347	6.8
283.10791	73.4
284.11075	1.9
289.11777	11.5
301.11868	67.3
319.12900	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
57.03434	2.2
65.03944	7.3
67.05496	3.0
69.03441	2.3
70.06584	3.8
70.90520	3.3
72.08135	2.6
73.02940	2.4
79.05496	3.5
85.02885	4.1
91.05489	1.8
92.04992	11.6
95.04985	1.8
96.08127	9.5
105.03395	13.4
107.08646	1.6
108.08062	2.2
110.06015	1.9
120.04452	2.0
122.06024	4.6
124.07638	7.1
126.09166	14.3
132.08014	1.5
134.84052	1.5
138.05502	3.3
138.09134	3.8
148.03941	5.0
150.05524	4.2
152.07076	55.3
164.03416	1.8
166.05011	100.0
171.09225	2.4
176.03427	16.9
178.04927	1.8
180.06580	4.7
182.04514	17.0
184.09892	2.2
194.04491	11.2
198.07797	5.1
199.08594	5.2
200.10843	3.3
211.08630	3.0
212.09465	4.6
215.08220	3.4
215.29515	1.5
225.10197	3.8
226.08748	2.0
227.08147	3.9
227.11783	7.1
228.10153	6.1
229.13387	2.1
233.09233	3.0
239.08099	3.0
240.08936	6.0
241.09718	3.8
242.10358	1.7
253.09723	4.3
255.11241	7.6
257.09222	4.1
257.12918	3.1
259.07147	7.2
261.12469	3.4
270.09940	4.1
271.10715	16.8
272.09192	4.9
273.12329	3.5
283.10785	76.0
284.11127	2.2
288.11008	2.8
289.11880	13.7
301.11850	57.2
319.12915	83.2
357.75208	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	337.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.6
55.05511	3.2
57.03443	2.3
59.97019	1.4
65.03930	7.3
67.05502	1.9
69.03420	3.5
69.07059	2.0
70.06593	11.7
71.58876	1.8
72.08158	4.9
72.93798	1.6
74.41858	1.5
79.05494	4.2
80.05028	2.0
81.03413	1.7
81.05817	1.5
81.07044	2.6
83.51097	1.5
84.08148	3.6
85.02927	2.8
86.09719	3.0
91.05489	3.3
92.05018	10.5
93.07076	1.7
94.04163	1.7
95.04968	2.4
95.08642	2.3
96.08147	10.3
97.02908	3.2
105.07021	2.0
114.09248	2.2
119.04972	2.7
120.08138	1.8
122.06049	6.0
124.07619	7.9
126.09180	15.9
127.03840	1.7
130.06555	2.5
133.06433	2.0
136.07529	2.0
138.05571	2.0
138.09145	5.5
140.07051	2.0
146.05995	3.3
147.04416	5.5
148.03932	4.6
150.05527	3.2
152.07083	54.3
152.08279	3.5
156.08049	2.5
158.09592	1.6
163.03903	2.1
164.03542	2.8
164.07079	2.7
166.05009	100.0
168.06569	2.5
169.07623	2.4
170.08231	2.3
176.03458	16.4
182.04530	18.2
194.04501	12.3
198.07829	3.1
198.14336	1.6
199.08592	4.8
200.09149	1.5
200.10844	4.1
209.10854	2.2
211.08722	3.0
212.09464	4.4
215.12233	1.5
225.10249	4.3
227.08167	5.3
227.11765	7.6
228.10287	5.0
229.13383	4.8
233.09218	4.6
240.08954	4.5
241.09773	2.7
242.10880	1.8
244.08328	2.5
245.09265	2.5
253.09775	5.1
255.07689	1.8
255.11290	7.4
257.09225	5.9
257.12817	3.7
259.07175	4.0
259.09882	1.6
260.98447	1.6
261.12357	2.1
270.10129	3.7
271.10785	15.5
273.08920	2.2
273.12354	5.3
283.10794	81.9
284.11169	2.4
288.10934	2.8
289.11789	13.2
301.08405	3.7
301.11838	63.9
305.11615	1.5
319.09756	2.9
319.12900	81.7
320.13156	2.0
337.07977	3.2
337.20404	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	337.092
Annotation	Aspergillusone B
Peak:m/z	Relative Intensity
68.82339	1.7
70.06602	3.4
70.51939	5.7
78.52663	1.6
85.02920	1.6
91.05486	2.1
93.07039	1.8
93.68158	2.0
95.04981	3.2
105.07070	2.1
117.43035	1.5
119.08566	2.1
129.07056	2.4
131.08543	2.0
136.07579	2.0
145.65166	1.7
147.08073	2.2
151.03922	16.9
157.06470	4.0
158.07260	2.0
160.05264	2.3
161.06039	2.1
171.04472	3.0
174.06818	3.6
175.07590	11.3
177.05501	4.1
184.05183	3.8
185.06009	6.7
186.06813	3.0
187.03940	2.6
188.04736	2.8
189.05486	5.3
189.09187	3.7
199.03859	1.9
199.07579	6.3
200.04677	3.4
201.05400	2.3
202.06271	4.3
203.07060	25.0
205.05064	4.3
207.06471	2.0
212.04724	2.1
213.05467	8.0
214.06326	8.3
216.04140	3.9
217.04973	5.8
217.08607	20.4
227.07063	16.4
230.05821	20.2
231.06537	26.6
233.04570	4.4
241.04976	4.2
245.04433	5.4
245.08119	59.5
255.06552	19.0
257.08078	6.0
258.05234	5.0
259.06049	66.4
261.04129	1.8
263.05597	2.1
272.06833	2.2
273.07593	100.0
274.07898	2.4
283.06018	9.5
291.08527	8.0
301.07095	92.7
302.07663	1.8
319.08240	2.0
319.12582	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	336.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03464	1.4
55.05514	1.8
56.05039	7.3
68.05025	2.2
69.03444	0.7
70.06602	13.8
70.61342	2.5
71.07383	10.0
72.08163	75.5
76.77563	0.8
84.08167	1.0
86.06063	1.6
87.09231	2.1
88.07639	74.9
98.06078	1.6
110.09698	12.7
113.10794	3.0
125.10761	2.7
126.09172	47.4
143.11810	100.0
145.02834	5.6
152.07019	0.9
157.09764	1.3
169.09744	7.2
177.05525	9.4
186.12457	1.0
191.09393	1.8
194.08182	4.3
206.11823	7.9
277.15588	1.1
307.16202	0.9
336.19165	24.8
337.19446	1.2
352.91174	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	337.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96295	3.2
56.96568	63.1
70.98125	22.6
71.45798	1.7
71.57083	3.3
71.95263	3.4
72.08136	2.2
84.96033	8.5
85.02889	4.9
86.06061	2.3
88.99155	12.8
91.83876	1.9
96.60264	1.8
98.97590	100.0
107.00156	2.2
110.14120	1.9
110.97588	37.1
112.99142	11.9
116.98627	33.5
119.19466	1.8
121.68666	2.0
124.95483	7.0
124.99123	2.4
128.98604	34.1
131.00188	8.9
133.01704	6.6
134.99663	6.6
140.98576	5.3
142.80893	2.0
142.96555	6.1
143.00179	7.1
144.98109	3.3
146.99655	33.5
149.01218	4.9
151.02756	3.0
152.98531	3.0
156.98094	6.4
158.99693	17.7
160.97620	2.4
161.01317	3.5
162.99062	2.5
165.00778	11.7
170.96010	11.8
170.99680	7.5
172.97533	2.6
174.99152	31.3
175.02760	4.9
177.00677	11.1
184.97621	7.9
188.97101	25.6
189.00737	17.6
190.98581	2.1
191.02287	3.2
193.00194	21.0
201.00896	2.9
202.98703	10.1
205.00235	9.0
206.98151	8.8
207.01779	11.9
212.97137	6.0
217.00209	19.5
217.03792	3.9
219.01813	33.0
220.99680	4.5
223.01230	3.0
223.04805	2.4
230.98138	30.5
235.01225	13.4
237.02846	35.1
244.99698	18.1
247.01276	5.0
248.99223	8.5
249.02943	2.1
263.00793	38.5
277.02307	17.4
277.05948	22.7
277.09061	2.7
281.01758	5.3
295.03711	3.6
295.06976	64.2
320.23599	1.9
332.10266	3.9
337.04391	3.8
337.08142	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	337.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80179	2.4
56.96567	71.1
60.63579	2.3
70.22662	4.2
70.23051	5.3
70.98125	29.8
71.95266	5.2
73.02956	2.6
83.04649	2.2
84.96049	10.4
84.96476	2.0
85.02908	3.1
86.09748	2.3
88.99158	13.9
97.02913	2.9
98.20856	2.7
98.97588	100.0
110.97562	29.4
112.99149	9.4
115.00666	3.0
115.03961	2.0
116.98619	35.6
124.95490	6.8
128.98618	40.8
131.00185	9.0
131.01974	2.0
133.01736	4.9
134.99661	11.0
140.98599	7.1
142.96542	7.2
143.00140	4.0
146.99640	25.3
152.98764	2.9
156.98094	9.3
158.99629	17.5
161.01208	5.7
165.00703	17.4
170.95985	14.3
170.99661	7.6
174.99162	26.0
175.02827	7.5
177.00755	11.0
179.54552	2.2
184.97638	8.8
188.97102	30.6
188.98781	2.9
188.99095	2.5
189.00717	25.3
191.02260	3.0
193.00241	19.3
201.00754	3.7
202.98627	15.4
203.02271	2.2
205.00153	10.3
206.98180	8.8
207.01776	14.4
212.97086	6.0
217.00177	15.8
217.03766	2.3
219.01842	30.7
220.99684	5.8
223.01315	4.8
226.98715	2.3
230.98154	30.3
235.01233	10.4
237.02834	30.9
244.99664	19.1
247.01299	5.2
248.99188	12.9
249.02852	3.2
263.00754	50.2
267.03915	3.7
277.02350	16.4
277.05997	21.2
281.01883	7.0
295.03525	5.2
295.07001	58.4
295.10248	3.4
309.08328	2.3
313.30258	2.0
314.09656	2.7
332.10333	7.0
335.66650	2.1
337.04446	4.9
337.08014	23.0
355.08737	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	336.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.7
56.05040	62.7
56.54344	1.4
57.03426	5.1
61.01155	55.5
68.05024	4.6
69.03429	7.2
70.06576	3.3
70.98305	2.4
71.04991	6.5
72.08165	9.7
73.73649	1.3
74.02444	1.6
74.06055	1.5
75.02712	1.5
81.02972	2.4
81.03426	32.0
84.08115	1.8
85.02908	12.8
88.07655	9.6
92.73585	1.2
97.02879	4.1
98.05413	2.9
98.06062	61.3
99.04462	9.6
104.05338	100.0
105.05675	1.6
109.02893	21.8
125.10702	1.4
126.09180	6.3
127.02968	1.8
127.03929	43.8
133.03206	4.7
143.11792	13.0
144.06572	47.4
146.06358	61.9
150.05885	8.0
150.77019	1.6
174.05846	23.2
177.05531	4.4
186.07622	4.3
192.06857	5.4
217.81151	1.5
224.05518	1.3
246.09802	3.0
253.29135	1.4
258.72461	1.4
270.09625	2.3
288.10858	6.7
318.10141	8.8
336.11087	8.9
336.19162	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	336.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05506	0.9
65.03932	1.7
67.05507	21.3
68.80822	0.3
70.06596	0.6
70.94115	0.6
70.94456	0.6
72.80166	0.3
79.05476	0.9
83.04986	6.8
91.05488	0.6
93.03407	3.4
93.05766	0.4
93.07023	0.8
94.06571	20.2
95.04976	2.0
95.53649	0.3
97.06529	0.6
105.03376	0.8
111.04447	3.8
119.21866	0.3
121.02876	0.5
122.06034	100.0
123.04435	0.8
123.06401	0.9
125.06036	1.4
127.07533	0.6
127.49890	0.4
136.07591	7.0
137.05989	2.1
139.03903	17.3
153.05455	2.4
157.10185	0.3
162.05473	0.4
162.09145	0.3
165.05499	1.3
167.01976	0.5
167.03400	10.3
167.55029	0.3
183.06554	0.5
185.04485	4.8
188.10696	1.6
190.08676	0.5
197.08128	2.0
199.06029	12.0
202.12222	0.5
212.10681	0.9
213.09145	0.8
216.10236	1.3
230.07887	0.5
230.11740	1.7
241.08469	0.5
244.09703	1.2
258.11295	3.6
261.92725	0.3
268.53909	0.3
276.12390	0.7
286.10788	3.2
304.11856	8.6
318.13446	0.7
336.14459	2.7
337.10843	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	3.8
55.05516	23.5
57.03440	24.9
57.07061	2.5
65.03939	5.3
67.05506	96.3
69.07072	23.0
69.28980	13.9
71.04989	2.3
79.05496	48.4
81.07059	87.6
82.07379	1.9
83.08627	10.1
85.06520	2.4
91.05482	23.7
93.07045	55.1
95.04967	5.7
95.08611	70.1
97.06525	3.4
97.10190	3.6
98.20714	2.8
99.08112	1.4
101.81203	1.2
105.07033	18.2
107.08596	27.7
109.06531	1.7
109.10159	27.2
111.08101	2.0
117.07027	5.5
119.08580	12.9
121.10143	20.6
123.11726	10.4
131.08563	7.8
133.10149	9.8
135.11700	17.8
145.10147	8.1
147.11717	6.3
149.13287	7.8
151.14803	1.4
159.11700	4.9
161.13249	5.8
163.14821	2.5
165.94556	1.2
173.13269	4.1
175.14871	2.0
177.16312	1.5
187.14789	1.5
199.42796	1.3
237.20392	1.6
243.21118	5.5
261.22198	7.6
317.24716	1.9
335.25824	100.0
336.26160	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	2.9
55.05518	16.5
57.03441	20.1
57.07070	2.2
65.03930	2.2
67.05508	70.2
69.07070	14.9
70.05990	5.2
71.04990	3.1
79.05061	2.5
79.05497	35.6
81.07064	71.9
83.04980	1.7
83.08612	6.5
85.06551	1.5
91.05481	16.9
91.20065	1.1
91.58753	1.0
93.07051	41.5
95.04974	2.9
95.08614	55.2
97.06531	2.3
97.10161	3.4
99.08095	1.1
100.63801	1.3
105.07043	13.2
107.07875	1.3
107.08601	25.8
109.10165	22.1
111.08106	2.2
117.07021	5.0
119.08585	12.0
121.10161	19.8
123.11717	9.5
129.05499	2.4
131.08572	10.6
133.10133	7.1
135.11710	17.8
137.13205	1.9
145.10124	8.1
147.11691	8.6
149.13295	10.9
159.11674	5.6
161.13258	9.1
163.14830	3.9
165.12820	1.6
173.13255	5.8
175.14862	2.4
177.16414	2.2
187.14799	2.6
195.48067	1.5
223.59167	1.3
243.21109	8.7
261.22180	11.5
279.23083	2.2
317.24820	3.9
335.25812	100.0
336.25967	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	5.6
55.05264	1.7
55.05513	25.7
57.03189	1.9
57.03440	24.5
57.07067	3.6
65.03934	4.7
67.05508	90.7
69.03426	1.5
69.07075	19.9
71.04992	2.3
71.19930	1.7
79.05498	47.6
81.07061	77.6
83.04974	1.4
83.08635	8.4
85.06545	1.8
89.80103	1.4
91.05485	24.8
93.07047	53.6
95.04951	3.9
95.08612	64.0
97.06534	4.0
97.10169	1.9
98.98447	2.2
103.33908	1.3
105.07034	13.6
107.08606	25.1
107.29308	1.3
109.06532	1.7
109.10155	24.7
111.08060	1.6
117.07025	3.1
119.08615	10.8
121.09313	1.7
121.10146	22.4
121.97871	1.2
123.11673	10.9
131.08563	11.0
133.10117	8.2
135.11714	12.8
139.31427	1.4
145.10130	5.8
147.11681	5.1
149.13228	7.7
159.11732	3.8
161.13229	4.1
163.14827	1.7
173.13202	3.2
187.14708	1.5
207.14325	1.4
238.53586	1.5
240.92012	1.3
243.21069	2.0
252.89865	1.4
261.22159	5.9
335.25812	100.0
336.26093	2.1
344.98141	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	335.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
53.56766	0.5
55.01849	0.6
61.36307	0.5
65.03950	0.6
67.05507	3.6
69.03425	1.3
70.06601	3.6
77.03946	0.6
79.05492	1.6
81.03416	1.2
81.07056	1.1
85.02896	0.7
88.05585	0.5
91.05489	6.2
92.05017	0.6
93.05817	0.8
93.07049	4.7
94.06575	5.3
95.04951	2.8
98.06054	0.9
98.21501	1.3
100.11272	0.8
103.37193	0.5
104.05009	0.7
105.04544	0.9
105.07032	0.6
107.04871	0.5
107.08604	0.6
108.04486	2.2
108.08117	2.8
109.06538	0.8
111.08106	1.0
112.07612	1.0
113.04424	0.5
113.70125	0.5
117.07010	0.5
122.06044	14.6
123.04435	3.6
124.07600	0.5
125.04717	0.6
126.05523	3.2
127.03862	0.7
133.10106	0.5
136.07588	100.0
137.06003	2.1
137.08089	1.2
138.05502	0.8
140.07066	8.9
141.05449	0.5
150.05519	5.1
150.09123	0.8
154.08615	3.1
157.83716	0.6
164.07088	1.4
168.06583	6.8
176.08774	0.5
180.06577	0.8
182.08131	5.1
185.09602	0.5
187.17743	0.5
196.09705	27.7
197.08147	0.8
198.07603	2.1
200.09198	44.1
201.09593	0.6
202.53464	0.4
211.46474	0.5
239.83412	0.6
275.14017	1.4
303.13461	0.9
319.84329	0.5
335.15967	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
65.03941	3.7
67.05508	5.4
67.35036	0.7
69.03452	0.7
69.07072	100.0
70.84560	1.2
78.09870	0.5
79.05505	1.2
80.05007	1.3
81.07061	4.2
82.06567	0.7
85.02851	0.5
91.05493	1.0
92.05016	4.1
93.05816	1.0
93.07083	1.5
94.06579	3.9
95.04987	1.7
96.08145	1.2
97.05910	1.0
97.06535	16.9
97.07133	1.0
108.04485	1.2
108.08149	0.8
109.06535	1.9
110.06105	0.7
117.07032	1.1
119.03689	1.0
119.08651	0.9
120.04484	1.1
121.05284	0.8
122.06048	9.1
124.07626	2.3
125.06016	1.4
130.06586	0.9
131.07373	1.2
131.08566	0.6
132.08125	0.6
134.06085	1.3
137.06007	2.9
138.05513	5.9
140.07060	6.0
143.08569	0.6
144.08037	2.8
145.08910	3.5
145.10039	1.2
146.09680	3.5
147.06787	1.1
148.03946	2.3
150.05511	73.7
152.03362	0.9
152.07127	1.0
156.08159	0.7
157.08916	2.3
158.09680	1.1
159.10464	1.3
160.07571	0.7
161.08356	3.6
162.09198	2.0
164.03465	1.3
165.04303	0.6
166.05013	29.0
168.06627	1.6
171.06863	0.6
172.07576	2.1
172.11220	4.0
173.08406	2.1
174.09183	1.7
174.12794	5.2
176.03432	7.3
178.05049	2.3
184.07646	0.7
185.08452	1.8
186.07668	1.1
186.09206	1.0
188.10789	1.7
190.08719	1.1
190.12289	4.3
194.04485	3.8
198.07869	1.3
200.07213	1.5
200.10765	7.0
202.12318	6.7
204.10379	1.0
206.08281	0.9
213.10176	1.4
216.10158	3.1
218.08429	1.4
218.11772	27.8
226.08868	0.8
228.10211	16.8
229.13405	1.4
234.11249	3.1
243.07574	0.6
243.11484	1.2
244.09787	2.7
245.12990	2.0
245.81895	0.6
246.11264	22.8
254.08163	0.9
255.11444	1.4
256.09790	1.3
257.09329	1.3
261.12436	1.2
269.09305	0.6
270.10226	0.7
271.08212	0.8
271.10727	4.3
272.09161	4.0
273.09882	0.7
273.12170	3.2
274.10703	3.0
287.10294	7.4
288.11304	0.7
289.11865	9.0
290.10336	1.6
291.13474	0.8
299.10284	5.8
317.11331	26.9
318.09625	0.9
335.12378	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
62.11847	0.8
65.03934	4.6
67.05510	5.7
69.03409	1.2
69.07076	100.0
69.84610	0.9
71.59549	1.1
79.05483	2.0
80.05014	2.0
81.03408	1.4
81.07039	3.5
82.06613	1.0
82.71978	0.8
91.05495	2.4
92.05007	4.0
93.05814	1.6
93.07058	1.9
94.06573	4.8
95.04971	1.7
96.08161	0.9
97.06541	15.9
108.04543	1.2
109.02876	1.5
109.06529	0.9
119.03704	1.2
119.08564	1.8
120.04450	1.0
121.05270	1.4
122.06044	11.4
124.07590	2.2
127.03915	1.6
129.07002	1.1
129.58241	0.8
131.07320	1.3
134.06030	1.0
137.05981	1.7
138.05504	5.1
140.06107	0.9
140.07069	6.5
142.08652	0.8
144.08064	2.0
145.08856	2.7
145.09970	0.9
146.06015	1.2
146.09596	1.8
148.03925	2.8
150.05519	91.0
152.03476	1.9
157.08936	1.7
160.07634	1.1
161.08368	3.8
162.09122	2.6
164.03479	1.0
166.05016	34.3
167.07362	1.2
168.06606	1.3
172.07628	1.5
172.11221	3.6
173.08362	1.7
174.09134	2.4
174.12814	3.5
176.03450	8.6
178.05043	1.7
180.02837	1.2
185.08382	1.3
186.07628	1.0
188.10881	1.4
190.12288	4.3
194.04466	4.5
198.07771	2.1
200.10796	4.5
202.12357	4.5
206.11751	1.2
213.10135	1.6
215.11850	1.2
216.10089	2.8
218.11751	16.2
226.07387	2.6
228.10222	9.3
234.11298	2.4
241.09752	1.8
243.11313	1.7
244.09857	1.4
245.12775	1.4
246.11295	13.9
256.09662	1.6
257.09174	1.0
269.09222	1.1
271.07800	1.6
271.10803	8.7
272.09100	3.5
273.12360	3.2
274.10660	1.9
287.10281	35.0
288.10901	1.4
289.11856	5.9
290.10303	1.0
299.10266	6.2
317.11359	28.1
335.12308	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	335.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
56.96300	1.5
56.96566	26.6
57.03418	2.0
58.99857	1.6
59.04978	1.2
66.37325	1.1
69.03419	2.3
69.19733	1.0
70.06587	3.2
70.25516	4.8
70.98122	9.4
70.99802	1.2
71.04984	1.5
72.08142	2.4
73.02910	1.2
74.62103	1.3
74.97615	1.4
77.00899	1.2
81.03400	2.5
82.47432	1.3
82.99836	1.9
83.04979	1.2
84.96007	3.1
85.02932	7.7
88.07629	2.0
88.99146	5.1
97.02895	7.8
98.97584	25.9
99.99950	1.2
100.99165	1.6
101.00879	20.1
103.02407	1.7
105.00358	1.1
107.00188	1.6
107.04931	2.1
108.08107	2.2
109.02859	2.5
110.97556	3.7
112.99129	1.8
113.00864	5.9
115.02413	5.3
116.98621	14.4
119.01925	40.1
121.01663	1.7
123.05560	15.4
126.09179	1.4
127.02413	2.1
127.03873	2.6
128.98589	7.9
129.03961	3.5
131.00157	3.6
131.01909	26.6
131.05563	9.2
133.03471	7.1
134.99644	4.9
137.00800	1.5
137.02946	4.5
143.01901	76.7
143.11768	2.8
144.98079	2.4
145.01721	2.6
145.03461	9.5
146.99652	6.5
147.01381	1.6
147.05051	4.0
148.97630	1.3
149.01163	2.2
149.02950	2.9
149.06578	12.6
154.96495	1.8
155.01900	30.7
155.05531	3.1
156.02657	2.3
157.03441	4.4
158.99648	4.9
159.05014	4.2
161.02962	94.0
162.99075	1.4
163.02805	2.9
163.04453	2.1
165.00768	7.9
167.05539	1.9
170.99593	1.6
171.05017	2.7
172.97597	10.2
173.01485	1.2
173.02975	25.4
173.06601	33.4
175.02859	2.1
175.04495	5.2
177.00752	6.4
177.06021	3.8
184.04591	3.3
185.02960	3.9
185.04903	2.1
185.06601	35.5
187.04533	1.7
187.08119	8.2
189.00769	2.1
190.98677	23.8
191.00368	1.2
191.02235	3.9
191.03978	1.5
191.05939	2.8
191.07614	10.6
197.01172	1.2
197.06569	2.8
199.08118	1.9
202.01775	2.1
203.04025	10.5
203.07639	18.7
205.00209	5.8
205.03738	1.4
205.09279	1.4
208.99739	8.2
209.06729	1.9
214.98619	2.1
215.02182	1.6
215.04044	1.4
215.07648	14.8
217.09187	1.9
218.98161	6.6
219.01682	7.9
220.02832	14.2
221.05087	28.6
223.01195	4.2
227.07632	5.3
231.01576	2.2
231.04353	1.2
232.99692	18.3
233.03111	1.7
233.08701	5.5
234.99054	2.9
237.02760	10.9
238.03906	8.5
244.57932	1.4
245.05019	1.9
247.01216	1.6
251.00871	7.3
257.08698	7.2
275.00610	6.5
275.03574	3.4
275.09799	45.9
276.09836	1.6
289.05881	4.8
293.02106	6.0
293.10818	100.0
307.07019	2.5
307.12491	1.4
309.08521	2.0
316.12320	3.2
317.13110	1.6
335.11804	57.0
336.11798	1.5
353.07523	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64804	2.3
53.03960	1.9
54.57077	1.6
55.05513	2.7
57.07071	2.8
60.92014	2.0
65.03928	2.0
67.05499	5.2
69.03429	4.7
69.07066	2.2
69.93629	9.0
70.06591	6.0
79.05498	3.8
80.05026	3.1
81.03427	2.2
81.07060	3.5
82.06555	3.1
82.49647	2.0
83.01308	1.8
84.04508	7.2
84.08121	2.6
85.02907	4.4
85.04834	2.2
86.09708	1.8
86.16420	2.1
91.05473	13.6
91.51947	1.8
92.05811	2.2
93.07053	4.1
94.06544	5.4
95.04965	8.2
95.08631	3.7
97.06516	4.2
100.07636	1.9
103.03176	1.6
103.05541	1.8
105.07046	4.0
108.04478	2.7
109.02883	3.2
109.05276	2.3
110.06053	2.2
117.07060	1.9
118.06520	4.5
119.08586	3.8
120.08096	2.4
122.06065	10.3
124.03962	2.2
124.07582	5.0
126.05526	12.7
127.03883	2.7
129.07018	2.6
130.04979	2.8
131.08562	4.2
133.10165	2.1
134.09601	2.6
135.06889	2.3
136.03938	2.2
136.07605	17.1
137.06003	1.7
138.05534	5.2
140.07063	4.9
143.08563	1.8
144.08104	4.1
145.06482	3.1
145.08456	2.4
145.10117	3.0
146.06017	13.3
147.06331	9.8
148.07571	4.1
150.05527	5.8
152.03500	2.0
154.04988	15.4
156.07979	2.4
157.10094	2.0
160.07571	4.0
160.09421	1.8
161.05991	2.2
161.09621	2.4
162.05528	3.4
162.09143	4.7
163.08636	2.5
164.07101	13.5
166.05029	5.4
168.06555	6.4
170.09706	4.3
172.11269	2.5
174.09192	4.4
182.08223	5.9
184.07594	6.8
186.09207	6.5
187.12396	3.1
188.07074	20.5
189.07417	22.5
190.08678	3.7
192.02837	2.5
197.10721	3.6
198.09181	6.1
199.08711	4.1
200.10736	7.2
201.10210	4.5
202.08614	4.5
202.20088	1.8
205.09787	2.0
206.10066	3.4
212.07053	7.7
213.10162	3.8
214.08783	5.0
215.11829	5.8
216.10219	3.4
225.10292	7.9
226.08821	9.3
226.10623	3.1
227.08176	5.8
227.11729	2.5
228.10365	3.4
229.09756	7.7
230.08145	3.6
233.09106	1.9
234.07629	2.2
239.08229	3.8
240.06598	7.0
240.08820	1.9
241.09805	3.7
243.11293	10.3
244.09637	6.6
245.12798	2.4
253.09746	8.2
254.08134	6.1
255.11209	2.0
256.09769	2.7
257.09192	17.2
260.08032	2.3
271.10773	48.6
272.00970	2.1
272.09164	6.4
275.10342	9.8
281.09225	4.0
282.07693	2.6
287.10284	29.3
288.10886	2.6
289.11884	34.1
299.10266	33.5
300.08676	6.1
317.11349	100.0
317.21069	2.5
318.11832	3.2
335.12384	74.1
335.22534	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	334.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46692	0.2
60.05557	0.3
65.88017	0.2
68.28575	0.2
70.96616	0.6
71.52700	0.2
74.02425	0.4
77.03915	0.3
91.05501	0.3
102.29798	0.2
103.05453	1.0
118.06550	1.1
130.06532	100.0
131.06874	1.3
132.08083	0.8
143.07295	0.4
144.08089	26.6
146.06027	4.4
154.06566	0.4
156.08076	0.3
159.09151	0.3
170.05984	0.4
171.09224	0.5
173.10730	0.4
188.07071	8.4
188.87590	0.3
200.07153	0.8
205.09727	4.9
217.09740	5.9
235.54649	0.2
249.94183	0.3
251.91716	0.3
256.09930	0.5
257.10748	1.0
317.12872	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	335.0741
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.66806	4.4
54.78253	4.4
59.42047	4.2
70.87670	8.1
70.88018	6.9
112.89621	35.4
114.89310	5.2
121.38244	4.9
257.09052	5.3
327.87634	4.9
333.69406	5.0
335.07361	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	335.0741
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
55.46107	5.7
56.96568	18.8
64.81214	5.8
69.03432	6.2
71.22527	8.7
83.59927	5.5
85.02910	12.2
89.03711	5.7
95.06988	6.1
97.02917	26.7
98.97606	32.5
101.00913	15.2
103.35923	6.4
106.47198	6.4
108.15823	5.7
110.97576	7.9
111.49632	5.4
112.89600	8.9
116.98653	12.6
119.01932	11.4
123.05565	100.0
128.98586	6.8
131.01929	9.7
143.01923	12.7
145.03490	11.0
155.01859	10.0
158.99762	6.7
160.06226	5.8
161.02989	14.8
173.02948	12.5
175.04529	6.9
177.00757	9.7
182.00066	5.7
185.02951	11.3
203.04042	15.1
213.00749	5.9
215.04037	7.6
219.01625	8.8
221.05078	7.0
230.05533	17.8
237.02809	8.1
245.05150	12.7
263.05847	8.2
335.07477	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.14
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.9
65.03940	0.5
69.37982	0.5
69.59208	2.9
70.06583	2.2
84.04509	24.3
85.02892	0.7
86.09692	0.7
91.05482	9.6
102.05561	0.8
109.02920	1.0
115.05432	1.2
117.05768	0.9
117.07056	1.2
118.06548	18.2
119.77676	0.5
122.75094	0.5
127.03996	0.5
130.05006	4.6
130.06470	2.3
132.08105	7.5
135.37216	0.5
142.06519	2.8
143.07285	1.7
144.04485	0.5
144.08087	11.7
146.06013	56.4
157.13412	0.5
159.09186	13.6
160.07581	0.8
164.07071	0.6
169.07570	0.6
170.06013	5.8
177.05544	0.7
187.08780	0.8
188.07076	100.0
189.07434	1.3
205.09724	19.8
208.47327	0.5
225.10229	10.1
225.15033	0.5
271.10815	3.9
287.10312	0.7
289.11838	1.0
299.10382	0.8
317.11346	5.6
334.13989	5.0
335.12500	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	334.1552
Annotation	Cyclo(-Phe-Trp)
Peak:m/z	Relative Intensity
57.76162	0.3
70.97153	0.8
74.02444	0.7
74.41297	0.3
96.94193	0.3
103.05474	1.0
117.06963	0.4
118.06517	0.8
130.06540	100.0
131.06889	0.9
132.08112	1.1
139.15176	0.3
139.38303	0.3
142.32001	0.3
143.07263	0.5
144.08096	28.1
146.06006	4.1
154.06540	0.5
154.25774	0.3
171.09210	0.4
182.49916	0.3
188.07069	9.2
200.07069	0.6
205.09743	6.1
217.09732	5.8
239.92297	0.3
257.10736	1.0
317.12836	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
56.86518	0.6
60.63718	0.6
67.05500	1.1
69.07056	0.9
69.34242	0.7
70.06600	0.9
70.86261	1.4
70.86597	1.0
70.92145	0.6
72.93793	0.7
79.05463	1.5
80.48940	0.6
81.07069	1.4
88.07639	1.0
91.05484	1.8
93.07044	1.9
95.04945	0.9
95.08606	1.6
98.98469	14.6
100.98889	1.0
105.07043	2.6
107.08587	1.7
109.06528	0.9
109.10114	1.0
113.96400	1.6
117.07030	1.3
119.08577	3.7
121.06487	0.7
121.10140	1.2
131.08507	0.8
131.97464	1.3
133.10124	1.6
135.11708	0.6
145.10149	1.3
149.02388	1.3
154.99046	1.0
159.11688	1.5
173.13261	1.1
176.98958	1.7
195.09915	2.4
231.10553	0.7
241.19806	0.8
259.20856	0.8
333.20374	100.0
334.20560	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	333.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01867	2.6
55.05513	17.4
56.96560	2.2
57.03439	23.6
57.07063	5.1
65.03937	2.5
66.87281	1.2
67.05173	2.4
67.05510	30.2
69.03417	1.6
69.07069	13.2
69.82482	4.3
69.82887	3.0
79.05497	30.9
81.07066	31.7
82.48476	1.5
83.04952	2.1
83.08622	5.2
85.06535	2.4
88.07642	2.8
91.05487	52.0
93.07050	33.0
95.04964	3.8
95.08610	24.1
97.06529	2.4
97.10157	4.0
98.97858	1.9
98.98479	23.6
103.05477	1.4
105.07038	94.8
107.08589	16.6
109.10155	7.4
113.96387	1.8
117.07026	20.8
119.08589	42.2
121.06470	1.7
121.10140	12.7
123.11678	3.9
124.23453	1.3
125.09607	2.5
128.06142	1.8
129.05475	4.9
129.07018	10.4
131.08571	27.1
131.97449	1.6
133.10138	64.8
135.08119	1.6
135.11702	9.8
139.11183	2.2
141.06892	1.4
143.08559	9.1
145.10141	11.2
147.11700	46.5
149.13255	6.0
157.10095	5.7
159.11700	24.5
161.13254	7.3
169.10194	1.6
171.11699	7.7
173.13284	26.2
175.14749	3.0
176.98901	1.6
185.13306	13.8
187.14864	4.4
199.14803	8.5
213.16417	2.9
217.15981	1.7
224.65729	1.5
231.12878	1.6
241.19569	20.6
243.51160	1.5
259.20612	15.3
315.23099	2.8
333.24249	100.0
333.31448	6.6
334.24573	2.4
351.18094	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	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03942	3.4
55.01868	3.6
55.05511	6.4
57.03436	8.0
57.07079	16.3
59.04999	13.5
61.02921	8.7
63.16842	2.0
67.05505	13.0
69.03437	32.3
69.07069	12.9
69.90580	9.3
70.06607	2.5
71.04987	6.2
73.02927	5.2
79.05498	2.9
80.75343	1.7
81.03438	15.2
81.07052	7.5
83.04979	3.8
83.08613	6.0
84.08176	2.4
85.02909	83.0
85.06539	12.8
86.09693	3.1
87.04450	3.5
91.03959	6.1
91.05484	8.7
93.07039	8.5
95.04973	4.7
95.08612	57.8
97.02908	27.2
97.06513	8.3
98.20767	1.8
98.98460	11.4
99.04450	6.6
99.08097	16.8
105.07022	2.1
107.04965	2.1
107.08590	10.3
109.02901	12.1
109.06539	11.3
109.10166	22.8
111.08099	14.7
111.11752	2.3
113.09654	63.2
119.08553	3.0
127.03928	16.2
127.11208	45.2
129.04668	2.3
131.08569	2.0
133.10156	2.3
135.11688	18.1
137.13277	2.2
145.04976	20.3
147.04393	3.0
153.05453	2.5
153.12764	100.0
155.14323	8.7
171.13837	51.0
173.12964	1.8
177.12767	2.7
213.14958	2.5
226.11043	2.4
227.11876	3.6
247.74240	1.9
270.09949	2.9
272.11627	3.2
273.12314	2.6
301.11795	22.7
333.14355	5.7
333.19193	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	333.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
57.03420	0.6
69.03426	1.0
70.06587	1.6
70.16434	1.8
71.04988	0.6
71.76085	0.5
73.02914	0.7
75.32382	0.5
79.05498	0.5
81.07095	0.4
83.04976	0.5
84.08134	0.6
85.02893	1.0
86.09695	0.9
97.02910	0.4
98.20773	0.6
98.98481	6.8
109.02901	0.6
109.10168	0.5
119.08601	0.5
120.08089	0.6
123.04501	1.0
123.05527	0.5
129.10313	0.4
131.68657	0.4
147.04442	0.5
157.08594	1.3
158.97375	0.8
162.15596	0.4
167.07210	0.4
169.04997	0.7
171.09970	2.5
176.98886	0.6
182.20848	0.5
183.08121	0.5
216.97931	0.7
225.11160	0.7
229.98203	0.5
234.99002	3.7
248.53336	0.4
295.19589	0.4
297.12732	0.5
315.09659	0.9
333.15213	100.0
334.15585	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	333.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.1
55.05503	0.6
56.96560	0.6
57.03444	30.7
57.90431	0.5
68.99795	1.2
69.03425	1.5
69.28382	2.6
69.28813	2.5
82.15182	0.5
85.02905	5.7
91.05487	7.2
93.07063	1.1
95.08598	0.8
98.20708	1.2
98.98483	6.1
99.79397	0.5
100.98891	0.5
103.03931	0.7
104.99775	4.0
105.07037	1.9
107.04951	2.0
107.08473	0.5
109.10200	0.5
113.02383	6.7
115.03966	0.6
117.05506	2.0
117.07082	0.6
119.04958	21.9
119.08606	1.0
119.84859	0.5
121.02908	2.9
121.06522	7.3
121.10136	0.8
125.02368	2.1
131.03421	1.0
131.04947	0.8
133.06491	1.7
133.10205	1.3
143.03412	1.9
145.06500	9.7
147.04425	100.0
148.04774	1.0
148.98625	0.6
153.01833	14.2
155.06107	0.6
159.11699	1.0
166.99780	7.6
168.35329	0.5
171.02914	26.9
171.04396	1.4
173.06020	2.4
176.98871	0.6
177.09163	2.8
181.01340	28.9
185.00845	3.0
185.04588	1.1
185.06007	2.0
189.05519	1.2
199.02391	13.4
201.05518	0.7
213.05571	4.7
231.05002	24.2
241.04958	2.2
245.07991	0.9
259.06039	2.1
269.04568	2.6
273.07614	19.9
274.08084	1.1
287.05545	1.6
291.08667	9.0
301.07156	1.5
333.09717	9.6
333.13486	0.7
333.24387	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	332.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24256	0.6
51.83586	0.7
52.63749	0.6
55.05513	3.9
56.05017	1.2
57.03413	0.7
60.04522	1.1
61.91439	0.6
62.06101	1.5
67.05490	2.6
67.94845	0.7
68.64465	0.9
69.07071	24.0
70.02930	2.0
70.06595	1.7
70.15495	1.3
70.15903	2.3
72.08165	3.7
73.06535	2.0
74.06071	1.2
79.05489	1.8
81.07047	2.5
83.04971	1.3
84.04491	3.4
84.08144	1.7
85.02911	6.7
86.06064	5.9
86.09695	1.8
91.05466	0.8
93.07051	4.5
94.06572	0.7
95.08611	18.7
96.08138	5.3
97.06544	3.3
98.09706	5.4
98.98455	4.4
99.04456	3.6
100.07635	0.8
105.07040	1.3
107.04973	1.1
108.08121	3.6
110.09666	2.8
111.08094	1.9
115.07528	1.9
116.10735	26.5
121.06496	2.4
122.09653	4.3
122.88435	0.7
123.05503	0.9
123.08126	0.8
124.07587	0.9
128.07117	1.2
128.10725	1.0
136.11206	1.4
138.09059	0.8
139.07561	1.2
140.10664	1.3
141.09111	5.1
142.08621	5.8
142.54655	0.7
146.06076	0.8
152.14655	0.8
154.12242	1.4
159.10161	1.7
170.09578	1.3
173.12900	3.2
182.11798	2.5
187.14522	1.1
200.12830	100.0
212.16458	19.6
218.13873	11.0
230.17580	3.4
281.90170	0.7
296.18509	2.3
314.19620	24.9
332.13550	1.0
332.20691	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	332.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66711	0.6
55.01870	1.4
55.05510	3.3
56.05035	1.2
57.03429	0.9
60.04527	1.2
61.47283	0.6
62.06073	2.2
63.38655	0.7
67.05511	3.6
69.07074	23.8
70.02957	1.3
70.06582	1.2
70.92960	1.7
71.04967	0.6
72.08152	4.0
73.06556	2.3
74.06089	1.2
78.18993	0.7
79.05479	1.4
81.03431	0.9
81.07061	2.5
82.06570	1.2
84.04497	2.7
84.08145	1.9
85.02907	7.7
86.06097	4.8
86.09706	1.9
87.04462	0.8
88.86211	0.6
91.05487	1.6
93.07060	4.3
95.04951	0.8
95.07351	0.8
95.08617	17.5
95.09225	1.1
96.08122	5.2
97.06554	3.6
98.06061	0.9
98.09700	4.8
98.98472	4.4
99.04454	3.4
100.07616	0.7
101.05997	0.8
105.06956	0.6
108.08121	2.9
109.02878	1.4
109.08885	0.8
110.09672	2.3
111.08115	0.8
114.09095	0.6
115.07576	1.6
115.30779	0.6
116.10740	24.5
121.06497	2.7
122.09685	3.5
123.08057	0.7
126.09177	0.6
128.07069	2.2
139.07520	1.2
140.10713	1.7
141.09122	4.8
142.08632	5.2
154.12265	1.0
159.10213	1.4
164.10713	0.9
170.09673	0.6
173.12883	2.1
182.11766	1.8
200.12831	100.0
201.12553	1.4
212.16469	18.4
218.13892	8.5
223.07700	0.7
230.17490	3.6
240.10138	1.2
269.70087	0.6
296.18475	1.5
314.19629	22.4
332.20706	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	332.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16340	0.6
62.53285	0.6
64.80978	0.6
70.70757	0.8
70.71092	1.0
73.16754	0.6
73.98740	0.6
74.24281	0.6
76.78357	0.6
79.05523	0.6
97.02848	0.8
98.98485	4.4
112.64727	0.5
115.05450	1.4
118.06531	1.0
128.07103	1.3
130.06541	64.8
142.06529	3.5
143.07283	0.6
144.08107	4.8
145.07640	1.1
146.05963	1.1
150.23959	0.6
154.06526	34.6
156.06808	0.9
159.09193	1.7
163.03876	0.7
167.07361	0.7
169.07640	5.7
171.09192	62.9
172.09592	0.9
189.06616	1.8
197.06984	0.8
203.08060	0.8
215.08179	11.3
217.08891	2.3
218.09706	3.6
232.11313	0.9
242.09537	0.7
243.09172	6.5
244.09976	5.5
245.10754	15.5
256.09988	8.3
257.10764	100.0
258.11533	45.9
259.12326	50.5
259.16357	1.0
260.12628	1.1
267.66693	0.6
271.12271	1.1
332.13983	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	332.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85687	3.8
71.79416	0.7
81.03413	1.1
91.05441	0.7
98.21386	0.9
98.98463	2.7
105.20281	0.7
109.02872	2.4
110.03268	0.6
113.47708	0.6
115.05440	1.3
118.06536	1.7
130.06538	62.0
142.06529	1.9
143.06172	0.7
144.08063	3.4
145.07605	1.2
146.06041	1.0
154.06525	34.8
156.06865	0.9
159.09193	2.3
167.07378	0.8
169.07635	5.9
171.09190	63.5
189.06679	1.2
197.07124	1.4
215.08154	10.5
217.08824	1.5
218.09758	3.8
228.10141	3.2
241.08832	0.8
242.09625	1.3
243.09157	6.6
244.09955	5.4
245.10771	16.0
256.09982	9.7
257.10757	100.0
258.11536	41.4
259.12323	44.9
260.12711	1.0
269.10654	1.0
314.10919	0.9
315.11258	1.0
332.14050	7.1
345.48343	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	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93960	0.5
51.60558	0.5
53.03967	0.6
53.26267	0.5
55.01863	0.6
57.03430	0.9
57.69498	0.5
61.02920	2.4
65.03926	0.9
67.05496	2.4
69.03432	7.0
69.83497	3.2
73.02919	2.0
79.05489	1.3
81.03436	2.7
81.07035	0.6
85.02912	7.5
86.09737	0.5
87.04457	2.0
91.03951	0.9
93.05795	0.6
96.08132	0.7
97.02908	3.6
98.97579	1.6
99.04489	0.8
106.06573	4.1
107.08772	0.6
107.42581	0.5
108.08121	100.0
109.02868	1.1
109.08468	0.6
112.89602	0.8
114.89320	0.8
123.06830	4.5
124.07598	15.2
127.03898	1.4
134.06024	15.6
136.07584	14.5
145.04977	0.9
152.07072	77.0
153.03375	0.5
153.07355	0.9
154.08624	1.6
170.05032	0.7
170.08122	14.0
177.00752	0.7
212.07616	1.0
314.12332	41.3
332.07312	11.0
332.13403	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	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03941	1.0
55.01860	0.6
56.67599	0.3
57.03430	1.6
61.02926	2.3
65.03925	0.7
67.05513	2.5
69.03432	6.8
71.01373	0.4
71.04994	0.6
71.11071	0.6
71.11404	0.4
73.02917	2.2
79.05493	1.5
80.04980	0.5
81.03399	1.7
81.07047	1.1
85.02904	7.5
87.04468	1.3
91.03959	0.6
93.05787	0.9
94.06542	0.5
96.08111	1.1
97.02896	4.1
98.92872	0.4
98.97601	0.5
99.04478	0.4
106.06559	4.9
107.07328	0.4
108.08115	100.0
109.02866	1.7
109.08454	0.9
117.15919	0.4
118.06490	0.4
123.06811	4.6
124.07590	16.2
127.03862	1.8
132.05263	0.4
134.06017	17.5
136.07574	12.1
137.08391	0.5
149.60695	0.3
150.05534	0.5
152.07062	83.8
153.07442	0.4
154.08618	1.5
170.08112	18.2
237.06499	0.4
243.74979	0.4
314.12320	38.7
315.12604	0.5
332.07629	4.2
332.13397	52.0
333.05792	0.4
333.13449	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	331.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	10.6
57.03426	9.3
57.07081	96.3
64.03228	2.2
67.05219	2.0
67.05515	25.4
69.07079	17.9
71.08637	63.6
71.09562	3.7
71.09907	2.6
77.31576	2.2
81.07067	34.2
83.08634	26.8
85.10187	38.0
91.05486	2.7
93.07057	4.5
95.08613	54.3
96.32938	2.0
97.10167	12.7
98.98476	100.0
99.11725	3.5
109.10167	23.4
110.06803	1.9
111.11731	4.8
114.22015	1.9
116.99522	2.4
123.11732	13.1
125.13273	2.6
127.03904	4.5
137.13280	4.8
138.06290	2.6
165.16380	2.2
174.99208	5.1
176.98935	7.1
192.10233	4.5
193.10609	5.5
215.52934	1.9
218.61700	2.0
221.22765	2.7
239.23691	16.2
257.24750	6.1
313.27393	51.8
331.04590	2.0
331.17398	5.1
331.26636	2.1
331.33957	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	332.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05249	3.0
58.12285	3.5
67.05494	3.9
69.03407	4.0
70.88304	8.2
79.15250	2.8
85.02898	9.8
96.71144	3.0
99.82394	3.3
104.10749	15.3
108.08128	93.7
112.89623	5.4
114.89299	4.3
120.31730	3.2
123.06754	4.9
124.07610	14.4
134.06058	19.9
136.07613	10.8
136.94025	3.3
152.07086	100.0
168.25574	3.4
170.08144	30.8
183.76541	3.8
238.67285	3.2
314.12354	33.0
332.07410	80.1
332.13422	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	332.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54434	0.9
51.37220	0.8
53.03942	1.2
55.01854	1.4
56.96570	1.2
57.03424	2.4
58.38935	0.9
61.02910	2.9
65.03934	0.9
67.05492	3.1
69.03427	8.3
71.58820	1.0
73.02905	2.6
79.05506	1.4
81.03396	2.7
81.07037	1.0
81.50809	1.0
85.02913	12.6
87.04465	3.0
91.03944	1.3
97.02920	5.2
98.97598	2.2
98.98479	11.2
99.04435	1.3
100.81997	1.0
106.06545	4.0
108.08127	100.0
116.98645	1.0
123.06840	4.2
124.07606	15.8
127.03883	3.1
128.98628	1.3
134.06033	16.0
136.07600	13.4
145.04962	2.0
152.07082	79.9
154.08656	1.8
161.02805	1.0
170.05190	1.2
170.08133	16.0
177.63333	1.0
191.03925	1.2
200.21692	1.1
227.60854	0.9
235.67812	1.0
276.13547	0.9
314.12363	40.5
329.08386	0.9
332.07321	15.0
332.13406	58.2
333.05930	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	331.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.05521	14.8
57.03436	5.6
57.07082	100.0
67.05511	31.6
69.07072	12.2
70.06586	4.9
70.11205	9.3
71.06918	2.0
71.08640	65.0
74.01859	2.1
75.04474	4.4
79.05486	3.0
81.07072	38.4
83.08630	27.9
85.10189	32.0
88.07629	6.1
89.06008	2.9
91.05466	3.1
93.07038	3.7
95.08616	61.5
97.10175	13.4
97.20254	1.8
98.20782	2.7
98.98476	91.1
100.02312	2.0
104.33909	1.9
105.07038	3.5
107.08544	3.2
109.10168	29.9
111.11749	4.1
121.10171	3.1
123.11723	13.1
127.03902	3.0
137.05962	3.4
137.13300	4.6
151.14821	2.7
158.25269	2.4
176.98967	5.4
185.13304	2.3
192.10236	3.5
193.10608	4.1
221.22693	2.4
239.23697	20.7
257.24680	9.1
261.65826	1.8
264.18600	1.9
276.11771	1.8
278.94559	1.9
310.84634	2.0
313.24072	3.8
313.27444	57.7
313.32831	3.9
331.17337	3.6
331.26416	4.3
331.34003	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	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36150	1.8
55.05494	6.7
57.03420	6.3
57.07079	71.3
67.05508	22.6
69.07071	9.6
70.06596	8.7
70.32836	1.7
71.08636	42.2
71.59567	2.7
72.86720	1.7
75.04475	2.3
79.05482	3.0
81.07059	24.0
83.08627	17.4
85.10181	27.1
88.07635	12.0
89.07967	3.1
93.07030	2.7
95.08618	37.9
97.10176	8.8
98.98472	100.0
99.11739	2.5
102.09180	3.3
106.08662	5.3
109.10168	23.2
111.11767	1.9
112.21871	2.0
118.23452	1.7
119.80412	1.8
121.10149	2.6
123.11688	8.2
137.05992	3.6
137.13248	4.4
139.40854	2.3
140.74065	1.9
151.14854	2.0
174.22095	1.9
174.99229	2.5
176.98949	6.6
192.10190	7.5
193.10623	12.1
239.23708	10.1
257.24814	6.2
313.27386	43.2
313.32999	7.9
331.17285	8.1
331.34012	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.227
Annotation	Turricolol E
Peak:m/z	Relative Intensity
51.43981	1.0
51.63746	1.0
53.03940	1.7
53.90306	0.9
55.01868	3.7
55.05507	4.4
57.07066	1.5
65.03948	1.6
67.05167	1.7
67.05508	22.2
69.07075	9.9
70.65408	2.9
71.08613	1.2
72.93775	2.2
74.21728	0.9
75.84118	1.0
79.05500	10.8
81.03419	17.0
81.07061	17.9
83.08612	3.0
85.02919	1.1
90.94782	1.6
91.05487	6.3
93.07057	16.1
95.04971	48.9
95.08615	15.0
97.06530	3.0
97.10194	1.7
98.98471	100.0
100.46176	1.1
100.98887	2.2
105.07040	11.3
107.04985	2.4
107.08601	21.8
109.06510	4.5
109.10165	31.7
111.11827	1.1
115.05478	1.5
116.99519	2.1
117.07015	2.3
119.08585	12.4
121.06522	3.4
121.10157	15.8
123.04438	27.1
123.08083	3.7
123.11717	4.1
125.05988	5.1
127.03928	3.4
129.07024	2.6
131.08568	5.4
133.06462	1.4
133.10124	6.3
135.08070	3.1
135.11702	15.4
137.05988	5.5
137.09612	1.3
137.13245	2.4
138.06380	2.5
139.16904	0.9
140.01060	1.2
141.05461	14.4
141.07028	1.6
143.08562	3.9
145.06433	1.8
145.10133	7.7
147.08066	3.2
147.11736	6.6
149.09618	2.8
149.13255	6.0
151.07544	2.6
151.11211	1.5
155.07114	1.0
155.08563	2.4
157.06520	1.5
157.10135	4.4
159.06662	1.6
159.08084	3.8
159.11685	4.6
161.09610	4.9
161.13336	2.2
163.07538	2.1
163.11189	1.3
163.14876	2.1
165.09201	1.8
169.08701	1.5
169.10149	2.5
171.11722	2.7
173.09631	1.4
173.13225	1.7
174.99239	4.9
175.07529	1.9
175.11267	1.4
176.07907	1.6
176.98959	8.0
177.07825	1.1
177.12787	1.4
177.16385	1.7
181.08549	1.2
183.08105	1.2
183.10239	1.2
183.11757	3.7
185.09660	1.5
185.13272	3.7
187.11180	2.1
187.14836	4.7
189.16393	14.3
191.10614	1.0
191.14250	1.8
191.17967	13.3
192.10184	5.3
193.10541	9.5
195.11713	1.3
197.13251	2.6
199.11139	2.0
201.16406	2.1
203.10600	1.4
203.17946	4.5
205.15924	1.5
211.14873	2.8
213.12781	3.1
217.12248	2.0
221.11653	5.4
223.13260	1.6
225.12729	2.6
229.15874	1.2
231.13893	4.0
235.14986	1.7
239.14305	2.7
249.14902	3.1
253.15906	2.0
257.15411	3.4
267.21072	4.3
275.16479	2.8
277.19525	3.5
281.10034	2.5
285.22211	1.2
295.20618	20.4
313.21628	33.4
329.11932	5.6
331.13495	7.4
331.17426	6.6
331.22650	42.0
331.26254	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	331.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92393	2.9
53.03938	13.4
55.01861	12.5
55.05515	54.8
57.03434	16.1
61.02924	3.9
67.05506	25.3
68.99789	12.4
69.03080	3.8
69.03437	70.9
69.07067	16.6
70.52682	3.0
70.53030	8.8
71.01351	7.6
71.04995	30.5
73.02924	4.2
79.05493	22.7
81.03423	59.3
81.07058	30.0
82.04212	5.1
83.04979	24.8
83.08633	27.7
85.02903	38.1
85.06520	4.8
87.00853	16.4
91.05489	28.5
93.07056	32.4
95.04969	13.6
95.08615	31.0
97.02902	37.4
97.06535	8.5
98.20870	3.9
98.98478	100.0
99.04449	15.2
99.08076	9.7
103.05460	4.2
105.01859	3.6
105.07016	17.9
107.04944	7.5
107.08600	10.8
109.02896	28.5
109.06520	12.2
109.10159	7.2
111.04450	12.2
111.08080	53.6
113.09650	28.0
115.03970	14.8
117.07022	8.8
119.04960	3.7
119.08583	11.4
121.06498	12.9
121.10137	7.2
123.04417	5.9
123.08072	19.4
125.02428	3.4
125.09623	4.6
127.03918	52.9
129.01880	4.9
129.07030	5.5
131.08626	3.5
133.06529	4.3
133.10168	5.1
135.04414	3.2
135.08064	25.1
137.05969	22.1
137.09622	8.7
139.07550	25.5
139.11179	5.2
141.09100	33.5
143.08566	3.0
145.06490	3.0
145.10129	5.2
147.08110	7.2
149.06021	4.4
149.09599	6.4
151.07553	34.6
153.09096	10.8
158.07280	4.0
159.02914	3.4
161.05946	4.5
161.09592	5.1
163.03850	3.5
163.07539	6.5
163.11154	5.5
165.07051	6.8
165.09096	10.9
167.10687	3.4
173.09714	3.0
176.98936	10.4
179.08424	3.4
179.10707	7.0
181.06528	4.7
181.12238	4.2
182.88637	2.9
185.06026	3.5
185.11766	5.4
189.09120	6.8
191.10712	18.5
192.10150	3.6
195.08078	7.9
197.11720	3.3
207.10229	5.7
209.11751	48.5
210.06836	7.3
227.10661	7.5
227.12808	8.9
231.04921	4.7
238.06310	5.4
241.04956	3.8
253.08455	4.6
255.10162	8.4
271.09698	8.3
285.11209	4.1
287.12842	8.0
295.09009	3.6
295.11841	29.9
299.13971	3.1
304.78552	3.2
313.12866	6.8
331.11752	13.8
351.98267	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	331.1175
Annotation	2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.66793	0.4
51.15409	0.4
53.00301	0.4
56.52910	0.4
66.04707	1.6
67.01855	0.8
70.76805	0.7
71.26499	0.4
79.05502	0.5
81.03416	0.5
84.46765	0.5
85.26933	0.4
91.05493	2.3
94.04196	0.5
95.04922	0.6
98.98475	22.6
100.98871	0.8
103.90613	0.5
107.01342	2.3
116.99546	0.6
119.04932	5.6
122.03595	0.6
123.04451	1.6
125.02341	1.0
137.06035	0.6
138.03159	0.4
147.03261	0.6
147.04420	11.4
150.03139	29.5
151.03842	1.0
153.01813	2.4
163.03955	0.8
167.03397	1.6
168.04185	12.0
174.99222	1.0
176.98917	1.7
178.02635	9.8
181.62105	0.4
183.06543	0.6
192.10158	1.5
193.10567	2.0
196.03685	28.4
197.04086	0.5
199.02351	4.5
211.06033	100.0
212.06415	1.5
214.04742	9.3
214.06606	0.8
304.78223	0.4
316.09317	0.5
331.11774	45.7
331.17996	1.4
332.11978	1.1
352.46893	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	331.0814
Annotation	Dryopterin
Peak:m/z	Relative Intensity
50.46922	0.6
51.02383	0.9
51.44890	0.8
53.03957	1.1
58.38379	0.7
60.37963	0.6
63.62064	0.6
67.05505	2.3
69.30035	5.1
69.30442	1.7
69.76239	0.7
77.03922	2.3
79.05470	2.0
81.03471	0.7
83.22421	0.6
89.03923	5.1
91.05486	1.4
95.04964	7.0
98.21485	1.6
98.98476	41.3
100.98870	1.3
105.03404	5.7
105.07040	1.3
107.04951	1.8
117.03395	8.3
119.08623	0.8
123.04439	92.1
125.77113	0.7
127.03919	1.1
131.08539	1.1
133.02863	42.2
134.03603	1.0
135.04420	18.7
137.02342	3.3
145.02849	11.1
145.10138	0.7
147.04402	0.9
151.03915	26.7
151.05128	1.4
152.04713	4.2
161.02226	0.8
163.03920	100.0
164.04277	1.0
167.39035	0.6
174.99178	1.6
175.03932	1.7
176.98897	3.5
181.04993	2.0
191.03445	11.9
192.10173	1.2
193.10504	1.0
203.03351	1.7
209.04454	4.4
211.07552	1.2
225.05270	0.8
233.13217	0.7
239.07004	0.9
257.08069	0.8
264.65781	0.6
267.06454	1.5
285.07523	2.1
295.06088	0.7
313.07098	34.4
315.05063	1.7
331.08157	13.1
331.11731	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	331.0812
Annotation	Dryopterin
Peak:m/z	Relative Intensity
50.01582	0.7
51.02372	1.1
53.03944	0.6
55.01859	0.8
58.14360	0.6
64.64691	0.6
65.03931	0.9
66.12253	0.7
67.05494	2.1
77.03924	1.4
78.04704	1.5
79.05492	1.6
79.38664	0.6
89.03936	4.4
91.05473	1.4
93.79286	0.6
95.04976	4.9
98.20768	1.3
98.98472	24.7
105.03368	4.7
106.04219	1.0
106.32900	0.6
107.04964	2.8
109.02859	0.8
110.03664	1.6
116.57906	0.7
117.03393	5.4
123.04432	100.0
124.04735	0.7
133.02861	29.9
134.03702	3.6
135.04424	18.3
137.02345	4.2
139.03931	1.2
145.02867	8.3
147.04413	2.0
151.03914	20.2
152.04729	4.4
153.05428	0.7
161.02336	1.6
163.03911	75.6
174.99202	0.7
175.03917	2.0
176.98938	2.4
181.04987	3.4
188.75810	0.6
191.03392	12.5
203.03386	1.2
209.04474	17.6
209.06464	1.0
215.17674	0.7
220.84996	0.7
255.06540	0.8
267.06485	1.4
285.07599	1.8
295.05872	1.1
313.07065	28.5
314.07416	0.8
331.08130	37.2
331.11227	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.05508	9.0
56.05017	1.1
57.03434	2.7
57.07065	2.5
65.38451	1.0
67.05506	16.8
69.03424	1.6
69.07064	7.5
69.90448	1.2
71.04986	1.7
71.08627	1.4
71.22504	2.5
79.05505	9.0
81.07061	15.7
83.04967	4.5
83.08604	5.1
87.04458	8.4
91.05486	7.8
93.07041	9.6
95.04972	2.2
95.08625	8.0
97.06529	1.7
97.10186	1.9
98.98467	92.9
100.98869	3.3
101.05969	2.2
105.07018	4.2
107.08621	5.9
109.06563	1.5
109.10172	7.0
111.08066	1.6
115.05450	5.3
116.99503	3.2
119.06921	1.2
119.08570	4.3
121.10169	3.9
123.11693	2.4
125.09615	2.1
133.10124	2.1
135.11729	2.6
137.05983	35.3
137.09550	1.3
139.11169	4.7
140.01086	1.3
143.04929	22.1
147.11687	2.8
149.13268	1.5
151.07535	2.2
155.10684	2.4
160.05232	1.4
161.13083	1.1
163.07594	1.7
172.13374	2.3
173.11787	7.5
174.99243	3.5
175.07558	13.6
176.98912	4.3
177.07855	14.9
189.11238	1.6
192.10193	100.0
193.10521	2.4
195.08063	2.2
207.08043	3.6
211.13353	2.5
213.54384	1.5
221.57896	1.2
224.08376	1.7
227.10771	1.3
235.07484	1.3
259.20706	1.2
267.10141	1.7
270.28027	2.0
277.21643	8.1
285.85724	1.2
295.22641	4.0
299.12726	5.5
330.16995	51.0
330.30112	11.3
330.33603	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	331.0813
Annotation	Dryopterin
Peak:m/z	Relative Intensity
51.11953	0.7
53.03932	1.2
55.01887	0.8
58.49142	0.7
65.03937	1.4
67.05496	3.2
70.15975	3.4
76.66463	0.8
77.03941	2.2
79.05496	2.4
81.07030	0.9
89.03922	6.4
91.05492	2.0
93.07059	1.3
95.04984	5.5
98.98473	73.4
100.98888	3.0
105.03389	5.8
107.04961	4.0
109.02917	0.8
110.03654	2.2
116.99510	2.2
117.03385	7.9
119.04882	1.0
121.10167	0.8
123.04433	100.0
127.03931	1.7
133.02859	32.3
134.03630	2.2
135.04431	19.0
137.02362	4.7
137.05969	1.4
145.02872	7.7
147.04414	2.2
149.06084	0.8
151.03915	15.9
152.04727	5.4
153.05463	1.8
161.02388	1.5
163.03917	86.8
164.04268	1.0
174.99251	3.1
175.03874	2.0
176.98907	4.8
179.03445	1.2
181.05014	2.7
190.04958	6.3
191.03415	19.5
192.10220	1.5
193.10541	2.2
209.04469	6.8
221.06038	1.0
228.77176	0.7
239.07053	1.7
250.85167	0.7
267.06546	1.2
285.12384	3.6
295.06094	1.3
313.07074	45.3
314.07666	0.8
331.08118	17.2
331.12216	2.4
331.16687	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	330.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43096	0.8
53.03945	3.1
55.62629	1.0
57.03442	1.9
64.44450	0.8
69.03432	9.3
69.07059	1.0
70.06590	5.3
71.04966	0.8
71.58433	1.2
72.08149	2.5
73.02913	2.5
78.03460	14.0
79.05479	1.2
80.05033	2.3
81.03418	18.1
81.07040	1.0
84.08147	2.4
85.02908	11.3
86.09720	2.5
87.04458	1.3
91.05439	1.2
95.04982	1.2
96.04493	4.4
97.02890	4.9
98.98470	100.0
99.04459	3.8
100.98891	1.8
106.02923	61.6
109.02892	13.4
111.05605	1.1
115.05487	1.3
116.07096	1.4
116.99512	2.4
117.41932	0.9
119.96852	0.9
121.06470	1.0
122.03541	1.3
122.06061	1.0
124.03960	88.2
125.04262	1.0
127.03916	8.8
136.07603	1.0
137.05983	12.3
140.07104	1.6
143.04887	7.0
150.05475	4.8
150.09120	2.3
151.07538	1.7
152.07111	1.1
153.05453	2.4
166.05009	1.1
167.07065	1.1
168.06575	7.9
168.10158	1.3
174.99306	4.4
175.07559	5.0
175.99678	1.1
176.98982	5.3
177.07837	3.1
187.14418	2.0
192.10205	28.3
223.04224	1.0
232.06038	2.3
247.97806	0.9
250.07127	30.5
251.07388	0.9
267.10178	1.7
268.08197	23.8
269.08212	1.0
284.98367	1.7
299.12866	1.2
305.39328	0.9
315.03494	1.0
329.98270	3.1
330.11786	5.3
330.17032	13.1
331.09985	1.2
331.17371	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	330.1339
Annotation	CHEBI:67373
Peak:m/z	Relative Intensity
52.31626	2.0
54.53370	2.2
60.04524	5.2
63.11316	2.2
67.28704	3.0
70.06583	4.5
70.74680	5.5
71.04999	3.1
79.05515	4.4
81.07058	2.8
89.03912	2.8
91.05508	4.1
93.07050	3.0
96.08115	3.2
98.98476	84.0
103.05498	3.5
107.08609	3.4
109.02903	3.3
117.03388	25.4
121.06503	3.5
123.04424	2.5
127.03946	3.7
135.04485	3.0
137.06004	7.2
143.05023	2.3
145.02864	53.4
149.05988	8.1
174.99255	6.0
175.07614	2.7
176.98914	3.5
177.05495	100.0
192.10175	19.2
198.05917	2.1
312.12375	4.7
312.25360	2.4
330.17114	7.5
330.26364	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	330.1912
Annotation	Gabapentin enacarbil
Peak:m/z	Relative Intensity
55.01874	3.9
55.05507	3.9
56.68710	1.0
61.28637	1.2
62.06092	6.2
67.05513	1.5
69.07070	31.7
69.80530	2.5
69.80931	3.5
69.83427	1.1
70.02941	1.3
70.06567	1.5
72.08158	27.9
73.02923	3.2
73.06551	4.4
74.84222	1.0
79.05486	2.6
80.52439	0.9
81.07047	5.9
83.08632	1.1
84.08160	2.7
86.06073	35.1
86.06599	1.9
86.09702	7.8
88.04020	2.0
91.05481	3.9
93.07031	2.0
95.04986	1.5
95.08589	1.5
96.08134	3.7
97.06539	3.8
98.06059	2.1
98.09707	4.8
98.20803	1.4
98.98471	40.7
99.04493	2.9
100.07616	1.8
101.02394	8.2
107.04931	1.4
107.08641	1.9
108.08118	2.7
109.06520	12.6
111.08081	7.0
112.32782	0.9
115.05474	1.8
115.07600	2.0
116.10741	21.2
119.04964	1.7
121.08894	1.7
122.03680	1.3
124.07625	2.0
126.05552	1.4
134.09660	3.1
136.07634	3.3
137.05997	17.3
138.05431	1.1
141.09091	2.6
142.08627	4.1
143.04959	6.4
145.05000	1.2
151.07545	2.0
152.10738	3.0
154.08736	1.4
159.10059	1.2
163.03854	2.0
164.10855	1.3
170.11797	9.2
171.14949	7.3
174.99223	2.0
175.07553	5.3
176.98911	2.5
177.07866	3.6
180.10248	2.2
182.08138	1.8
185.16516	3.9
192.10205	41.0
192.11926	2.3
198.11267	85.6
199.14478	3.7
203.58528	0.9
204.92265	1.1
212.16536	3.3
213.16023	1.8
216.12325	100.0
267.10291	1.3
299.12674	2.4
312.18036	16.1
315.08408	1.7
330.16470	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	329.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
56.05035	0.7
57.07070	1.8
57.70220	0.5
67.05513	0.8
69.07072	1.0
70.40672	0.4
70.78667	0.9
70.79007	0.6
71.08646	0.5
79.05499	0.7
81.07058	1.5
83.08637	0.5
84.08147	48.7
91.05475	0.6
93.07027	0.6
95.08597	1.4
97.06541	4.5
98.98471	100.0
100.98885	0.6
107.08616	1.1
109.10180	0.7
116.99532	2.6
119.08598	0.7
121.10139	0.8
129.10280	0.7
130.08630	4.2
133.10086	0.4
137.06041	0.5
140.01100	1.0
143.08560	0.4
145.10106	0.6
147.11319	1.9
157.10037	0.5
161.13316	0.4
173.13255	0.4
174.99243	7.5
176.98917	3.7
192.10220	2.4
199.07532	0.4
211.07640	0.5
243.06648	1.1
252.99770	0.6
266.24811	5.7
285.11252	0.6
329.24911	0.5
329.28122	6.7
330.17065	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	329.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.7
57.03448	1.2
57.07078	3.7
67.05514	7.3
68.64176	0.6
69.07072	9.0
70.06620	0.8
71.05041	0.5
71.08643	2.1
79.05505	5.9
80.62910	0.5
81.07071	8.5
83.04989	0.6
83.08624	5.2
85.10168	0.7
88.07659	1.2
91.05519	1.3
93.07062	5.5
95.08618	5.7
96.67847	0.5
97.06554	3.4
97.10177	3.4
98.98474	100.0
100.98891	0.8
105.07034	1.0
107.08607	4.1
109.10177	2.8
111.08129	1.2
111.11727	0.8
116.99519	2.3
119.08636	0.7
121.10159	9.1
123.11715	2.0
125.09692	0.9
133.10101	0.8
135.11708	7.0
137.05992	2.4
137.13237	1.9
138.46968	0.5
139.11183	0.6
140.01065	1.0
143.04951	1.1
145.10211	0.6
149.13251	2.8
163.14816	1.4
174.99232	8.4
175.00655	0.8
176.98938	4.3
179.30602	0.5
192.10225	4.8
219.21098	8.1
237.22137	6.9
252.99789	0.7
255.23326	0.7
267.94205	0.5
307.29706	0.5
311.25751	2.9
311.31476	0.7
312.32770	0.6
329.16046	0.7
329.24631	0.6
330.17062	2.1
330.33704	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32090	1.1
53.03918	1.3
55.05508	7.7
57.03432	1.8
67.05505	19.1
69.07069	5.5
70.71405	1.7
70.71730	2.1
71.04991	1.6
72.87061	1.1
74.54156	1.3
79.05498	16.4
81.03416	2.5
81.07065	11.4
83.08614	3.4
86.70901	1.3
91.05479	11.5
93.07046	12.8
95.04976	5.0
95.08614	11.2
97.06530	2.5
97.10175	3.8
98.98468	100.0
105.07041	8.8
107.08600	9.2
109.06532	2.1
109.10164	9.8
111.08073	1.7
117.07044	1.7
119.08601	6.8
121.10133	5.9
123.11717	1.9
125.09665	2.3
129.37883	1.1
131.08577	2.8
133.10139	5.9
135.08099	1.3
137.09630	4.1
137.37029	1.3
145.10083	3.5
147.11668	5.5
155.10645	1.3
157.10147	1.6
159.11670	2.2
172.13292	2.1
173.11761	3.3
174.99228	8.1
176.98943	3.5
190.08675	2.0
193.12184	1.4
265.08673	3.5
275.20135	5.3
297.11224	2.2
328.15381	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	329.1382
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
53.03910	0.6
54.07957	0.7
55.01873	2.4
62.64690	0.6
67.05502	1.7
68.17416	0.7
69.03440	1.3
69.07065	0.7
69.54482	4.0
69.54906	1.0
79.05499	3.0
81.03426	0.8
81.07066	1.7
91.05485	2.9
93.07033	1.1
94.04149	0.6
95.04932	0.8
97.06534	0.7
98.90559	0.6
98.98475	100.0
100.98902	0.7
103.05474	5.7
105.07038	9.4
107.04953	1.3
107.08601	0.7
109.06528	2.5
115.05448	4.2
116.99477	1.4
118.04188	0.6
119.04912	1.0
121.06517	2.2
121.10194	0.7
122.03693	1.0
123.04437	2.2
129.07010	1.1
130.04126	1.2
131.04929	7.3
131.08566	1.1
133.06493	5.5
133.10190	0.7
137.05988	13.9
137.07033	0.7
141.07027	2.2
143.06059	0.9
145.06500	1.2
146.03650	4.8
147.04433	2.7
149.05997	4.6
151.07579	2.8
152.06215	2.0
153.06984	1.3
154.07907	1.0
157.06544	0.9
159.04402	0.9
159.08057	1.5
161.05997	69.3
162.06770	5.5
163.07553	6.9
165.07005	3.3
166.07813	2.0
167.08545	4.8
169.06580	3.4
172.11037	0.7
173.06030	0.7
174.99243	7.7
176.98860	3.5
177.05618	0.9
177.07034	3.8
178.07779	1.5
179.08574	2.1
180.09340	0.8
181.06522	2.3
181.10197	0.9
182.07303	2.2
183.08064	0.7
187.07558	15.9
189.07031	1.8
190.07782	4.9
191.03415	0.9
191.08493	1.0
192.05704	0.6
193.06607	0.7
194.07274	3.2
195.08095	9.8
196.38876	0.6
197.05917	0.6
202.07806	1.3
203.08578	2.1
204.09239	0.8
205.06541	5.0
205.10143	6.3
207.08026	4.4
208.05275	0.8
208.08844	1.9
209.05997	0.8
209.09633	1.1
210.06781	4.6
210.82123	0.7
211.07492	0.9
215.08580	2.3
218.07307	5.5
219.08086	2.0
221.06049	2.7
221.09618	0.8
222.06755	3.7
223.07568	14.7
223.11241	2.5
224.08276	1.2
225.09099	2.0
233.06038	1.3
233.09673	8.9
234.06708	1.5
235.07549	3.5
236.08269	2.8
237.05461	2.0
237.09106	1.9
238.06281	4.0
238.51289	0.6
239.07028	1.2
247.07605	2.1
249.09250	1.1
250.06276	10.8
250.09863	1.6
251.07059	42.0
251.10677	6.2
252.07520	2.2
252.99721	1.0
253.08624	4.5
255.06543	1.8
261.09100	5.6
263.07034	1.9
264.07788	4.5
265.08566	1.6
265.12424	0.7
266.09180	0.6
267.06561	1.1
267.10065	0.8
268.07483	0.9
269.08197	0.8
269.11707	2.0
270.08896	2.3
278.09372	1.3
279.10187	14.9
280.11063	0.8
281.08215	1.1
283.09692	13.1
285.11246	3.1
293.11737	2.2
296.10382	1.2
297.11240	62.8
298.11691	2.7
311.12817	9.2
315.08823	0.6
329.13910	26.3
330.14215	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	328.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.05503	2.2
57.03434	1.7
57.45144	0.8
59.05004	23.9
60.04533	7.2
60.41215	0.8
61.02917	0.9
65.03934	0.9
67.05510	1.8
67.10002	0.6
67.13168	0.7
69.03432	1.4
69.07075	1.7
69.24244	5.1
69.24668	3.0
70.06602	3.9
71.04977	1.2
72.08157	6.0
73.06559	44.4
73.82442	0.9
76.02217	2.0
77.00615	4.9
79.05500	3.1
81.03417	2.5
83.04970	1.0
84.08110	0.6
85.02906	6.7
86.09708	11.7
88.04010	4.6
91.04967	0.7
91.05467	3.6
93.07042	2.0
95.04947	1.6
97.02906	2.1
98.98470	100.0
100.40553	0.7
100.98857	0.9
104.03496	1.1
105.07021	1.6
106.05036	8.2
107.04965	8.3
107.08610	2.0
109.02884	2.9
112.07579	0.8
116.07105	7.2
116.99508	2.8
117.07023	12.8
117.09147	5.1
119.04918	0.8
119.08579	1.2
120.08105	2.9
121.02837	1.7
125.05968	0.9
127.03929	1.1
130.05017	2.2
131.08578	2.7
131.10732	3.6
135.08089	4.3
136.07556	0.8
138.05460	3.8
138.09123	1.1
145.06473	0.8
147.04408	1.2
148.04788	1.1
148.07594	1.1
149.05971	1.2
149.09680	2.5
149.11732	25.3
153.05525	0.8
159.08069	1.9
162.02238	3.0
163.07535	4.0
165.01897	2.8
166.05054	2.6
166.08652	1.9
167.30209	0.8
174.99249	9.2
176.98985	3.2
177.09102	3.3
180.03270	5.5
181.04955	7.6
184.09694	1.3
185.16531	2.9
187.07555	1.0
190.08672	0.9
193.01295	5.3
195.10211	1.9
205.08656	2.8
213.15965	1.2
246.11340	1.2
252.99704	0.9
264.12427	1.4
265.08658	1.1
281.86673	0.8
282.13412	1.4
292.11679	1.4
297.11398	1.0
310.12814	5.4
328.14682	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73736	1.1
53.01099	1.0
53.17321	1.1
55.01873	3.4
55.05514	26.8
57.05585	1.1
57.34306	1.0
67.05510	10.9
69.03424	3.5
69.07071	15.2
70.76678	1.4
70.77020	2.4
71.05009	1.7
76.38420	1.4
79.05487	19.4
81.07052	10.6
81.11600	1.2
83.04972	2.6
83.08624	21.0
86.06048	3.9
90.74795	1.2
91.05479	9.7
93.07058	8.1
93.09566	1.3
95.04974	1.8
95.08609	4.7
97.06535	3.7
97.10176	38.0
98.98473	100.0
105.07030	10.2
107.04945	1.5
107.08604	44.9
109.06548	1.8
109.10161	2.6
111.08107	1.9
116.10735	9.5
116.99506	2.9
117.07054	1.8
119.08598	4.3
121.10182	1.1
123.11683	1.6
125.09641	34.5
131.08546	2.9
133.10124	5.1
135.08060	2.7
135.11740	1.2
138.62886	1.0
143.10687	2.0
145.10129	5.3
147.11676	4.4
149.09673	3.4
153.09082	2.3
161.13287	1.8
171.10127	3.5
173.13284	1.8
174.99242	7.0
176.98921	3.1
180.27406	1.1
183.11812	1.3
189.11237	46.1
199.41609	1.2
211.34814	1.1
233.06035	1.2
237.09157	1.8
239.18001	1.5
257.19073	5.5
265.08615	4.7
275.20078	30.0
293.21234	2.0
297.11273	1.8
328.15591	6.5
328.24722	6.9
329.21265	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	328.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
53.16529	1.4
55.01862	2.8
55.05505	2.9
56.05006	1.6
57.68222	1.2
58.06595	4.2
59.05004	2.5
60.04255	2.0
60.04531	32.5
64.73649	1.5
67.05501	3.2
69.03440	1.9
69.07062	2.0
70.06590	4.7
70.96280	2.4
72.08142	2.2
73.06557	2.5
76.02218	3.6
77.00620	7.4
79.05481	7.7
81.03408	4.8
81.69675	1.5
83.04979	2.6
84.04496	6.0
85.02934	1.6
86.09712	8.4
87.04461	1.7
88.04003	15.1
91.05489	17.2
93.07066	7.7
95.04972	5.8
98.98475	100.0
102.05499	3.0
103.03947	6.0
105.07066	2.2
106.05043	21.3
107.04970	13.6
107.08587	4.4
109.02886	2.7
116.07093	2.9
116.99525	1.7
117.07035	32.9
119.08627	7.4
121.06532	4.0
122.06021	1.6
122.83519	1.4
123.04429	5.6
123.08076	3.6
130.05013	17.9
131.08578	13.7
133.06433	1.4
133.10133	2.4
135.08076	36.8
138.05501	3.1
145.06517	3.7
147.04422	1.9
149.09636	4.7
159.08058	15.9
161.09656	3.6
162.02177	3.2
162.05815	3.8
163.07561	29.0
166.04984	2.6
166.08646	2.5
168.06541	2.2
169.06441	1.4
174.99225	7.6
176.98999	3.4
177.09122	11.4
180.03191	7.0
181.04895	2.7
181.08629	18.3
185.16382	1.6
187.07536	5.4
195.10246	2.9
205.06786	3.2
205.08621	27.1
216.09807	1.4
218.11674	1.9
220.13383	2.1
223.09566	1.5
237.09009	3.0
246.11316	2.8
264.12332	16.1
265.08572	4.5
280.10956	1.7
282.13315	4.1
292.11853	8.6
310.12863	12.3
328.15002	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	328.1392
Annotation	Sesbanimide A
Peak:m/z	Relative Intensity
53.03944	3.5
55.05496	2.8
59.05004	2.2
59.52895	2.3
60.04532	53.0
67.05494	3.4
70.02964	4.2
70.06596	6.5
70.97555	5.4
72.08141	2.8
77.00631	6.0
79.05495	17.6
81.03426	7.1
82.36861	2.2
83.04958	4.1
84.04504	12.8
85.02908	2.4
86.09702	4.7
88.04005	30.1
91.05488	35.6
93.07048	19.1
95.04972	6.5
97.30606	1.8
98.98476	100.0
102.05553	5.7
103.03964	17.5
105.07036	8.2
106.05036	37.8
107.04958	22.6
107.08601	10.6
109.02888	5.8
109.06522	2.7
115.05464	4.4
116.07114	4.1
116.99491	2.7
117.07031	63.8
119.08601	19.7
121.06503	7.6
122.06007	4.0
123.04430	13.1
128.39655	2.0
130.05016	39.0
131.08583	29.0
133.06458	5.5
133.10135	9.6
135.08069	74.1
141.07127	2.6
143.08615	2.6
145.06491	8.4
149.09634	9.4
159.08046	23.3
161.09621	10.0
162.02214	3.7
162.05797	3.4
163.06282	4.5
163.07564	63.2
166.08798	3.4
168.06589	3.6
174.99229	9.5
176.99025	2.8
177.09140	27.2
180.03275	5.2
181.05077	3.2
181.08606	34.6
187.07593	15.4
193.96617	2.3
195.10233	6.5
205.08623	73.9
218.11784	6.8
223.09764	2.6
236.23477	2.3
237.09134	2.4
246.11266	8.4
246.18143	2.4
264.12347	25.2
265.08597	4.2
282.13330	6.9
292.11926	14.6
300.00909	2.3
310.12872	23.8
328.14752	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	328.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
53.35066	0.8
55.01881	1.2
58.99590	6.8
59.86646	0.8
65.03957	1.3
67.05494	1.8
70.06590	10.7
71.42181	1.3
72.08158	7.1
76.01898	0.5
76.02229	22.5
77.00632	58.1
79.05497	25.4
84.08148	1.2
85.02911	1.0
86.09712	10.1
87.72285	0.8
88.03999	0.8
94.03262	1.7
95.04990	1.7
98.06029	0.8
98.98472	100.0
100.08492	0.8
102.00169	1.1
104.03468	17.5
105.07008	0.9
107.04961	80.6
109.02874	0.9
116.07100	10.6
116.99483	1.7
120.01154	7.2
121.06584	1.1
124.02781	0.9
129.26456	0.9
130.05006	13.0
138.05515	3.9
149.06003	7.9
162.02211	30.5
166.05045	2.5
166.08633	2.9
174.99223	7.7
175.99619	1.0
176.98993	3.6
180.03264	63.3
185.16467	2.4
213.15988	1.6
222.06883	1.0
237.08981	1.8
265.08673	3.1
297.11139	1.8
300.05893	2.0
328.15387	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	328.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	13.5
59.14949	0.4
69.03442	0.5
70.06587	0.7
70.66608	1.0
70.66943	0.7
71.95252	0.9
73.77193	0.4
81.03441	0.4
81.21664	0.4
85.02882	0.9
86.09705	1.0
94.92658	0.5
97.02890	0.9
98.97578	23.5
98.98451	8.4
107.44390	0.4
110.97575	1.0
116.97810	0.8
116.98630	12.5
117.60926	0.4
126.02240	0.6
130.93309	2.9
134.99690	3.8
140.03847	1.1
142.05370	0.7
144.03291	0.9
148.94391	0.6
153.37141	0.4
154.93382	1.5
158.04926	0.9
159.41962	0.5
160.06421	1.6
164.55731	0.5
166.07292	0.8
170.92807	0.4
172.94357	28.3
176.05946	0.5
190.95407	25.9
196.94334	0.6
198.95879	0.5
201.00471	0.7
208.96446	6.8
210.97136	0.5
214.95399	26.5
216.96947	1.0
231.98058	0.9
232.96466	100.0
233.96838	0.6
246.98146	0.5
250.97531	49.4
255.98022	2.4
260.94507	1.1
268.98984	0.5
273.99036	0.7
274.97458	0.7
278.95816	1.3
287.97122	2.1
304.03772	1.3
305.98077	1.6
322.04767	0.6
328.03720	13.4
328.10062	0.8
328.15225	0.8
346.04865	66.8
347.05231	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	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
55.05524	3.6
56.28448	0.5
57.07063	1.7
58.11658	0.5
59.05007	0.7
63.02062	0.5
67.05508	4.4
69.03440	0.6
69.07075	9.1
69.79279	1.3
69.79691	2.1
71.05006	1.3
71.08630	1.5
79.05497	3.2
81.03410	1.4
81.07064	19.5
81.99603	0.5
83.04977	0.9
83.08621	3.6
85.02931	0.6
85.06534	3.3
85.47932	0.5
86.57673	0.6
87.03275	0.5
91.05494	2.5
93.07057	6.6
95.04978	1.5
95.08615	13.5
97.06550	1.3
97.10186	1.0
98.98471	100.0
99.08116	1.7
100.11282	0.7
105.07043	3.5
107.04971	0.9
107.08594	6.7
109.06561	0.7
109.10155	4.8
111.04429	0.6
111.08080	3.9
111.11720	1.3
116.99512	1.0
117.06992	0.8
119.04913	0.6
119.08605	2.0
121.10141	3.3
123.04402	0.8
123.08025	1.0
123.11702	4.8
125.09659	0.7
129.06978	0.7
130.06523	0.7
133.10126	1.1
135.08035	0.9
135.10788	0.7
135.11639	3.1
136.07574	1.3
137.05995	1.3
137.13240	2.9
139.11208	0.8
145.10133	1.1
147.11697	1.8
149.13274	2.8
153.12801	1.2
155.14354	1.0
156.13852	0.7
159.11639	0.9
163.11230	1.2
163.14795	1.0
165.07024	2.4
165.12743	0.9
174.06749	2.8
174.99251	10.7
176.06279	1.8
177.07042	1.2
177.16422	1.1
183.13783	0.6
189.07024	0.7
190.07712	1.3
191.08667	2.9
193.06555	1.3
194.07292	0.6
195.08125	1.2
199.07495	0.7
204.05737	0.8
205.06520	2.6
211.07428	0.8
219.08061	4.6
221.05983	38.7
222.06432	3.4
223.07555	3.5
225.10248	0.7
233.06030	0.8
237.09030	4.5
239.07008	3.6
247.07646	2.4
249.05490	26.1
250.06125	4.6
251.00096	1.3
251.07050	3.8
253.04964	0.6
253.09814	0.7
263.07208	1.0
265.08594	4.2
267.06500	3.7
268.07339	11.2
269.07755	0.8
275.80505	0.5
277.04962	11.4
278.05469	1.2
279.27155	0.7
281.04599	0.8
281.08679	1.4
283.09692	2.4
291.26868	1.4
295.06030	67.4
296.06256	3.8
309.07764	2.4
309.27966	1.6
327.08987	4.7
327.12543	0.8
327.19797	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	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05512	3.0
57.07077	1.3
67.05509	4.5
69.03422	1.3
69.07073	6.7
69.49131	4.4
71.04987	0.9
71.08607	0.8
78.90804	0.6
79.05494	3.4
81.03440	1.0
81.07062	15.1
83.04979	1.3
83.08637	3.0
84.08152	1.4
85.02923	1.4
85.06556	3.1
91.05474	2.6
93.07055	5.9
95.04970	1.5
95.08607	10.0
97.06545	1.6
97.10178	1.1
98.98471	100.0
99.08098	2.2
105.07041	2.8
107.04997	0.7
107.08604	3.2
109.06532	0.9
109.10165	4.5
111.08117	3.2
111.11737	0.7
111.22905	0.9
116.99518	2.1
117.07046	0.7
119.08561	2.3
121.10154	3.4
123.11730	4.8
125.09668	0.9
133.10149	1.0
135.08051	0.7
135.11700	2.3
137.06015	2.2
137.13257	2.4
145.06485	0.9
145.10138	0.9
147.04425	0.9
147.11688	1.3
149.13283	2.6
151.07605	0.7
153.12793	1.0
155.14316	0.6
161.13344	0.7
163.03943	0.7
163.11201	0.6
163.14876	0.8
165.05585	0.8
165.07022	1.7
165.12762	1.4
168.55588	0.6
171.11665	0.7
174.06796	1.8
174.99229	9.4
177.16460	0.7
184.47006	0.6
187.11299	0.7
190.07747	0.7
191.08511	1.6
193.06581	1.2
195.08144	0.9
205.06512	1.5
209.89709	0.6
219.08113	2.9
220.99968	0.6
221.05983	24.7
222.06560	1.3
223.07538	2.1
233.05956	1.3
237.09093	3.0
239.07129	2.4
247.07602	1.8
249.05461	17.3
250.06245	2.9
251.00089	1.3
251.07108	2.6
253.09715	1.2
265.08591	3.6
267.06671	2.0
268.07318	7.3
269.18958	0.6
277.04953	7.9
281.04614	0.6
281.09009	1.5
283.09848	1.8
291.06641	1.2
291.19623	0.8
291.26913	1.4
295.06021	43.1
296.06430	1.8
309.07883	1.9
327.09271	4.4
327.19641	0.9
327.23248	1.0
335.14307	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.9
55.05498	6.3
57.07071	2.6
61.15351	1.7
65.03926	2.4
65.72566	1.5
67.05501	15.4
67.83576	1.7
69.03437	1.7
69.07063	8.1
69.45258	14.8
71.04998	2.6
77.03931	2.6
79.05495	8.7
81.07064	14.2
83.08624	3.3
84.14459	1.9
91.05485	21.9
93.07041	36.3
94.78738	1.5
95.04975	48.3
95.08612	27.7
97.06523	8.1
98.98473	100.0
103.05439	2.0
105.04519	3.2
105.07031	33.3
107.08598	20.3
109.06513	7.0
109.10168	12.4
117.07005	8.1
119.08577	31.0
121.06496	7.6
121.10140	18.0
123.08075	7.0
123.11694	4.4
128.06194	4.3
129.06985	5.6
130.07777	3.4
131.08575	14.4
133.10136	22.2
135.08075	4.8
135.11696	1.9
137.09538	2.0
142.07773	7.6
143.08531	9.8
144.09375	4.3
145.10153	22.9
147.08034	3.1
147.11700	4.9
149.09615	3.4
152.06218	15.1
153.06961	15.4
155.08565	3.4
156.09355	5.0
157.10135	15.2
158.10938	2.3
159.08093	3.0
159.11716	18.9
161.09622	6.2
161.13171	2.5
163.11162	2.1
168.05696	6.1
169.10124	8.0
170.10968	2.8
171.08101	2.1
171.11652	9.6
173.09657	2.6
173.13272	6.6
174.99219	9.9
175.11241	2.0
175.14926	10.5
179.08603	2.0
181.10118	4.5
182.10829	2.2
183.11685	5.1
185.13185	3.8
187.11198	3.8
187.14830	7.9
193.10199	2.4
194.10931	2.8
195.11783	1.9
197.13249	6.3
199.14818	6.0
201.12672	2.3
209.13304	4.8
211.14919	4.7
213.16411	1.9
215.14346	2.0
217.15907	3.4
225.16403	2.8
228.09390	4.2
233.03630	20.2
235.14906	1.9
250.99919	2.5
251.04686	6.8
291.20926	2.7
309.22290	3.3
327.07816	57.7
327.23221	9.5
328.08005	2.4
337.69360	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	327.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
53.99873	0.5
55.01892	0.9
55.05513	2.4
57.07082	1.0
58.40475	0.5
67.05505	3.5
68.34444	0.4
69.03429	1.2
69.07074	6.2
71.05003	1.0
71.08637	0.9
71.59692	0.6
75.97266	0.4
79.05502	2.8
81.03413	0.6
81.07061	11.9
83.08625	2.0
85.02909	0.5
85.06544	1.7
90.97611	0.5
91.05501	2.0
93.07053	4.1
95.04996	1.0
95.08618	6.8
97.02902	0.5
97.06560	0.7
97.10227	0.7
98.98473	78.2
99.08105	1.2
100.11288	0.9
105.07016	2.6
107.04981	0.8
107.08607	3.1
109.06516	0.7
109.10158	3.7
111.08108	2.6
111.11764	1.1
116.99507	2.3
119.08601	1.3
121.06518	0.6
121.10170	2.1
123.04440	0.8
123.11716	2.7
125.06072	0.5
125.09684	0.7
133.10164	0.7
135.11703	1.4
137.06009	1.8
137.13278	2.0
145.06482	0.7
145.10103	1.2
147.04475	0.6
147.11656	1.1
149.13283	1.2
153.12729	0.5
155.08612	0.6
155.14276	0.6
161.13295	0.5
163.11191	0.6
165.05656	0.8
165.06993	3.8
165.09106	0.5
165.12749	0.8
166.07825	0.6
167.08578	1.2
173.06015	1.1
173.09636	0.7
174.06749	3.1
174.99232	8.2
175.07494	0.5
176.06216	2.1
177.06987	0.6
178.07739	0.7
181.06540	0.7
185.95726	0.6
189.07011	0.7
190.07849	2.2
190.14346	0.5
191.08553	3.7
193.06517	2.0
194.07341	1.4
195.08093	1.3
197.05942	0.9
199.07628	0.9
203.04947	0.7
204.05708	0.8
205.06566	3.0
211.07555	1.0
219.08055	6.9
221.05989	59.5
222.06604	2.2
223.07571	4.7
225.05440	0.6
233.05957	1.2
235.07564	0.5
237.09137	6.2
239.07082	4.3
246.77220	0.5
247.07527	3.1
249.05484	39.8
250.06267	7.0
251.00172	1.7
251.07098	3.9
253.05112	0.6
255.20627	0.5
263.07040	1.2
265.08582	5.8
266.05789	0.7
266.09189	0.6
267.06500	4.3
268.07312	17.9
277.04977	17.9
277.08093	1.0
283.09641	2.7
291.06479	1.2
291.26849	0.7
295.06027	100.0
296.06329	2.4
299.05643	0.6
309.07614	3.5
309.27774	0.6
327.08640	4.8
327.19342	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	327.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67855	0.6
56.96572	0.9
71.16465	1.5
71.16803	0.8
72.78474	0.7
76.53042	0.6
77.01638	0.8
85.02934	1.6
93.84686	0.7
98.98474	100.0
101.72163	0.7
102.08340	0.6
116.99511	2.7
127.03905	1.1
174.99237	12.0
182.99652	4.2
200.33885	0.7
201.00714	5.6
219.01781	0.8
222.95200	0.8
251.00047	1.9
266.09085	0.8
327.04730	13.4
327.12274	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	327.0479
Annotation	Gliotoxin
Peak:m/z	Relative Intensity
67.94559	4.1
69.03389	4.1
69.97076	18.5
94.93026	5.0
98.98479	7.2
112.89609	12.8
114.89375	9.0
213.03764	5.4
250.89549	8.3
286.60767	4.9
319.25085	5.3
327.04724	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	326.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48727	0.8
56.96569	3.7
69.03427	1.2
71.16888	2.0
77.33240	1.0
79.78180	0.8
91.67119	1.0
97.02903	9.7
98.97598	13.7
98.98473	3.2
101.00887	1.8
108.73260	0.9
113.03503	8.8
116.98645	10.9
119.01942	8.1
134.99689	5.5
137.02940	1.1
142.03511	1.4
147.50562	1.3
147.80574	1.0
158.99965	1.8
177.01001	14.4
178.01089	2.7
179.00764	1.3
193.99219	1.2
194.15387	0.9
206.61928	1.1
216.99010	1.2
217.04066	2.1
217.98990	4.9
219.02026	22.2
219.03970	1.8
220.02132	4.0
220.07954	0.9
221.01729	2.4
223.01750	2.4
223.98042	1.3
225.00853	2.1
235.00000	2.2
236.00128	10.9
236.99864	2.2
240.99054	1.1
241.99045	4.5
242.99548	1.5
243.01958	8.3
244.02295	1.7
254.01213	2.1
256.96753	3.7
258.96524	1.0
258.99939	4.2
260.00137	23.6
261.00259	4.1
261.03082	100.0
262.03262	9.2
263.03067	2.2
274.97589	1.9
276.92230	1.9
277.01120	3.7
278.01172	15.8
279.00955	4.2
282.99908	4.8
284.00131	59.8
284.96497	2.0
284.99768	10.9
288.92169	1.3
291.98615	1.1
292.99744	1.4
301.01028	5.0
302.01196	82.4
302.93588	3.2
302.97333	1.8
303.00873	12.3
303.04047	1.1
308.98096	1.5
311.46124	4.2
311.95935	2.7
318.93231	1.6
320.02304	3.9
320.46747	1.7
325.02826	1.7
326.01089	4.8
330.93103	1.2
344.02277	20.8
345.02039	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	325.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33821	1.7
53.03947	3.1
55.05515	13.9
57.03427	7.0
57.07078	11.9
58.83907	1.7
60.46774	1.5
63.61000	1.6
65.03920	4.1
67.05508	100.0
69.07073	13.3
69.32513	1.8
70.98109	1.7
71.04984	8.2
75.04494	2.4
79.05498	76.8
81.07063	98.8
83.04980	4.2
83.08615	7.3
84.59804	1.7
85.06542	8.3
91.05487	39.0
93.07052	90.5
95.04966	6.2
95.08614	60.9
97.06522	5.7
98.20673	2.8
99.08095	8.3
105.07032	25.7
107.08607	50.0
109.06525	2.6
109.10168	38.3
111.08138	2.0
113.09660	5.7
117.07018	14.7
119.08600	22.3
121.10152	65.2
123.08070	3.4
123.11724	26.3
125.09649	4.6
131.08577	30.4
133.10146	29.2
135.11708	73.9
137.09598	2.8
137.13229	7.8
139.11160	2.6
145.10146	20.9
147.11690	16.5
149.09631	4.4
149.12160	3.4
149.13255	32.2
151.11220	2.5
157.10146	2.6
159.11691	27.4
159.65617	2.1
161.13304	4.5
163.03931	3.6
163.11246	3.0
163.14655	2.2
173.13269	17.0
177.12772	2.7
187.14835	6.4
189.16379	2.1
193.04933	2.4
205.15897	5.3
205.19499	17.4
210.64125	3.1
215.17973	69.1
233.19029	89.7
251.20087	2.7
307.22708	5.8
325.23578	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46249	1.7
51.60276	1.4
53.03952	2.1
55.01889	1.9
55.05517	14.5
57.03442	8.7
57.07072	6.3
64.20721	1.3
65.03949	4.1
67.05511	94.0
69.07078	10.9
70.20404	1.8
70.20763	6.5
71.04983	6.1
74.87879	1.6
79.05499	61.2
81.07064	100.0
83.05020	3.3
83.08611	7.2
85.06551	6.6
91.05495	31.0
93.07053	77.4
95.04984	4.2
95.08615	65.5
95.09238	2.4
97.06524	4.7
97.09321	1.8
97.10168	3.3
98.20786	2.5
99.08078	8.6
105.07040	22.0
107.08602	47.4
109.06534	4.2
109.10168	39.8
111.08125	2.9
113.09612	2.6
117.07005	13.3
119.08584	21.7
121.10155	53.5
123.08076	3.5
123.11711	28.9
125.09602	3.2
131.08569	22.9
133.10139	21.8
135.08110	3.2
135.11700	58.4
137.09631	3.5
137.13283	5.2
139.11201	3.8
143.08575	1.6
145.10146	19.0
147.11708	14.8
149.09587	4.1
149.13277	25.7
151.11160	1.8
157.10068	2.2
159.11702	19.7
161.13307	4.2
163.03926	3.4
163.11206	2.9
163.14774	1.9
173.13295	16.8
177.12820	3.2
179.53207	1.4
187.14825	4.9
189.16463	2.2
196.61104	1.4
205.15933	3.0
205.19565	16.0
215.17973	53.9
233.19022	73.5
251.20099	7.3
254.39137	1.4
307.22778	11.8
325.23874	20.5
331.78232	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	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03943	4.0
55.05516	12.6
56.50204	1.5
56.96545	1.5
57.03441	7.5
57.07074	9.3
65.03947	2.5
67.05508	100.0
67.89820	1.2
69.07068	14.1
69.50102	9.7
71.05004	7.6
79.05495	56.5
81.07061	95.2
83.04986	2.6
83.08604	7.6
85.06547	6.7
91.04964	1.8
91.05488	25.3
93.07049	76.7
95.04959	3.2
95.08611	58.2
97.06539	4.9
97.10151	4.2
99.08112	7.2
105.04437	1.3
105.07029	21.4
107.08608	40.6
109.06554	2.6
109.10162	36.2
111.08073	2.6
113.09660	2.7
117.07043	12.3
119.08591	17.8
121.10155	52.8
123.08099	2.2
123.11713	28.0
125.09613	2.9
131.08566	25.2
133.10138	19.9
135.08080	2.6
135.11700	55.1
137.13254	5.9
139.11203	2.2
145.10127	20.2
147.11708	14.4
149.09621	4.6
149.13260	24.2
151.11185	4.9
153.12714	1.2
159.11720	22.2
161.13277	2.8
163.11145	2.7
163.14851	2.9
173.13292	16.8
175.14822	2.0
177.12761	3.5
187.14868	5.8
189.16382	2.6
191.14366	1.4
191.17969	2.5
204.80585	1.4
205.15933	2.4
205.19537	14.0
215.17970	53.1
233.19009	72.0
234.19388	3.3
235.20457	1.7
251.20093	8.7
281.25211	1.3
288.55533	1.5
307.22675	9.2
325.23734	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	325.1399
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.52630	0.3
56.96569	3.5
57.03445	0.6
61.02913	0.5
69.03424	1.5
70.06583	0.7
71.58880	0.4
73.02933	0.7
81.03443	0.4
84.00124	0.4
84.08126	0.5
85.02905	2.7
86.09700	0.4
91.05470	0.6
97.02902	1.3
98.97594	3.4
107.04953	0.4
109.00060	0.4
109.02872	0.6
110.97581	0.9
116.98653	2.4
118.06550	4.1
119.01907	0.4
127.03929	1.8
128.98592	0.8
133.07611	4.6
134.99669	0.6
145.07617	100.0
146.08472	1.9
146.99696	0.7
147.09204	1.2
152.07042	0.4
158.99658	0.8
161.02943	0.5
162.24344	0.4
163.08678	58.2
164.09024	0.6
167.01936	0.5
174.99152	0.6
177.00732	0.9
183.05080	0.4
185.03046	0.5
193.00235	0.6
194.11670	0.4
201.00696	0.4
203.02223	0.6
203.04210	0.4
211.02869	0.4
219.01749	0.6
227.04062	0.4
234.56155	0.4
237.02739	0.7
248.96008	0.7
278.95932	0.3
281.18668	0.4
312.58008	0.4
325.13965	73.9
326.14380	1.2
344.03354	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01860	2.5
57.03447	3.0
58.22569	0.6
58.39963	0.6
61.02934	1.0
69.03088	0.9
69.03436	14.9
71.01328	1.5
71.05003	4.0
71.31561	1.1
71.31924	0.6
73.02921	1.2
81.03423	18.8
81.07063	1.0
85.02902	2.8
91.05482	1.2
97.02888	0.7
99.04471	6.5
117.05486	1.6
118.06551	5.1
123.67799	0.7
127.03924	1.0
133.02840	1.2
135.04469	1.4
145.07637	7.1
145.08699	1.4
147.09175	8.3
149.02377	3.4
162.07866	1.2
163.03929	16.4
163.08682	1.0
173.07115	11.1
175.08693	6.4
191.08170	100.0
192.08632	1.0
203.08287	0.9
231.11292	0.7
233.09064	1.1
271.10544	0.7
289.11777	2.3
307.12894	31.2
320.89444	0.9
325.07339	1.3
325.13956	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.3
53.03958	2.1
55.01884	2.3
57.03445	3.1
59.04997	0.5
61.02914	0.9
67.05499	0.5
69.03436	15.6
71.01345	1.1
71.05000	5.2
73.02914	0.9
79.05480	1.1
80.19487	0.3
81.03426	21.2
81.07052	0.5
85.02890	0.9
85.27287	0.3
89.03918	1.3
91.05495	1.4
93.07059	0.6
95.08607	0.5
97.02901	0.4
98.20782	0.6
99.04468	6.7
105.07030	0.7
107.04929	0.6
107.08590	0.5
109.02892	1.4
116.04995	0.6
117.03418	1.4
117.04771	0.3
117.05471	1.7
118.06553	5.0
119.08618	0.4
121.06554	0.3
121.10114	0.5
127.03880	0.5
129.31985	0.3
133.02921	0.3
135.04410	2.9
137.02411	0.3
137.06006	0.4
145.02863	2.0
145.03818	0.3
145.07623	6.8
147.08110	0.3
147.09174	7.8
151.07544	0.5
159.09192	0.4
161.09619	0.3
162.07861	1.2
163.03926	16.6
163.08667	1.0
163.11403	0.3
173.07130	12.1
175.07152	0.4
175.08691	6.5
181.04965	1.2
187.08693	0.6
190.07448	0.4
191.08171	100.0
192.08488	0.9
200.09471	0.3
205.06560	0.9
205.09743	0.6
215.11803	0.6
231.11368	0.5
233.05992	0.8
233.09271	0.9
251.07256	0.7
271.10901	0.6
279.06631	2.7
289.11728	1.4
297.07697	0.5
297.11087	0.3
307.05478	0.9
307.08423	1.4
307.12903	32.3
308.12909	0.3
325.07162	3.0
325.13965	22.3
326.14322	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68818	0.5
52.66830	0.6
53.03952	1.9
55.01867	2.9
57.03440	3.0
58.07778	0.7
61.02929	1.5
69.03433	16.5
69.25246	6.0
71.04996	5.0
73.02927	1.2
79.05499	0.9
81.03425	17.5
81.07068	1.0
85.02911	1.7
87.04446	0.6
91.05489	1.9
93.07082	1.3
99.04468	5.9
105.07045	0.8
116.04945	0.8
117.05520	1.8
118.06549	5.6
119.08620	0.7
133.10173	0.7
135.04442	0.8
142.06541	0.6
145.02800	0.7
145.07614	8.2
147.09189	7.3
149.02338	1.0
149.09618	1.8
162.07860	0.8
163.03915	7.5
163.08693	1.4
163.11118	0.8
170.05946	0.8
173.07140	10.8
175.08698	5.8
191.08167	100.0
198.05522	1.3
205.09750	0.8
225.06619	3.5
225.10275	0.6
233.09250	1.0
253.06093	1.7
289.11765	2.1
307.12885	32.5
325.08264	7.5
325.13892	23.7
326.14023	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	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.13296	0.2
53.03941	1.1
55.05516	0.4
57.03440	0.5
61.02935	0.8
67.05515	0.6
68.10095	0.3
69.03436	4.2
69.07064	0.7
71.04990	0.8
71.41677	0.2
71.58612	0.2
73.02145	0.3
79.05491	1.5
81.03428	5.5
81.07053	1.1
83.08607	0.4
85.02918	2.5
86.09749	0.3
89.03923	6.5
89.06048	0.3
91.05476	1.1
93.07043	1.0
95.04978	0.6
95.08599	0.7
97.02905	1.7
99.04430	0.5
103.05476	0.7
105.07020	0.7
107.04975	2.2
107.08614	0.4
108.08122	0.3
109.02904	1.8
109.06514	0.7
109.10139	0.4
109.60804	0.2
111.04451	0.3
111.08069	0.6
115.05495	0.4
116.05012	0.4
117.03392	9.1
117.07075	0.3
119.08572	0.5
121.02878	0.3
121.10068	0.3
122.06057	0.5
123.04341	0.3
123.08069	0.4
124.07580	0.5
127.03965	1.7
129.06976	0.3
130.08922	0.3
131.04939	0.7
131.08574	0.3
133.10153	0.4
135.04434	17.5
137.06000	2.9
141.06950	0.4
144.04483	0.4
145.02863	12.6
145.06505	0.3
145.10059	0.3
147.04381	0.4
147.08061	0.7
151.07545	0.8
163.03920	100.0
164.04283	1.1
169.06516	0.8
172.03935	0.3
173.13275	0.3
175.07556	1.8
181.04961	2.4
183.41708	0.2
187.07582	0.3
189.09048	0.3
190.05055	1.5
191.08214	0.7
236.47122	0.2
237.05582	0.3
247.07657	0.3
289.18036	0.4
297.12204	0.3
307.08127	3.8
307.13287	0.4
325.09140	1.9
325.14740	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	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13296	0.2
53.03941	1.1
55.05516	0.4
57.03440	0.5
61.02935	0.8
67.05515	0.6
68.10095	0.3
69.03436	4.2
69.07064	0.7
71.04990	0.8
71.41677	0.2
71.58612	0.2
73.02145	0.3
79.05491	1.5
81.03428	5.5
81.07053	1.1
83.08607	0.4
85.02918	2.5
86.09749	0.3
89.03923	6.5
89.06048	0.3
91.05476	1.1
93.07043	1.0
95.04978	0.6
95.08599	0.7
97.02905	1.7
99.04430	0.5
103.05476	0.7
105.07020	0.7
107.04975	2.2
107.08614	0.4
108.08122	0.3
109.02904	1.8
109.06514	0.7
109.10139	0.4
109.60804	0.2
111.04451	0.3
111.08069	0.6
115.05495	0.4
116.05012	0.4
117.03392	9.1
117.07075	0.3
119.08572	0.5
121.02878	0.3
121.10068	0.3
122.06057	0.5
123.04341	0.3
123.08069	0.4
124.07580	0.5
127.03965	1.7
129.06976	0.3
130.08922	0.3
131.04939	0.7
131.08574	0.3
133.10153	0.4
135.04434	17.5
137.06000	2.9
141.06950	0.4
144.04483	0.4
145.02863	12.6
145.06505	0.3
145.10059	0.3
147.04381	0.4
147.08061	0.7
151.07545	0.8
163.03920	100.0
164.04283	1.1
169.06516	0.8
172.03935	0.3
173.13275	0.3
175.07556	1.8
181.04961	2.4
183.41708	0.2
187.07582	0.3
189.09048	0.3
190.05055	1.5
191.08214	0.7
236.47122	0.2
237.05582	0.3
247.07657	0.3
289.18036	0.4
297.12204	0.3
307.08127	3.8
307.13287	0.4
325.09140	1.9
325.14740	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	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03947	2.1
55.01869	1.1
55.05495	0.4
57.03426	1.0
61.02932	0.4
63.02376	0.4
67.05495	0.8
69.03434	6.0
69.07064	0.7
71.04988	0.7
71.59709	0.5
71.82362	0.3
72.09404	0.3
73.02899	0.5
79.05505	2.0
81.03423	17.4
81.07062	1.2
85.02910	5.9
89.03920	7.5
91.05480	1.5
93.07041	1.2
95.04971	0.7
95.08614	0.9
96.37189	0.3
97.02901	2.1
97.06512	0.5
99.04460	2.3
105.07048	0.6
107.04963	2.9
107.08570	0.8
109.02889	6.4
109.06503	0.4
109.10138	0.4
117.03387	9.6
117.07022	0.7
119.08559	0.7
121.10172	0.4
123.08053	0.6
127.03899	1.8
131.08580	0.4
133.02881	0.4
133.10074	0.3
135.04422	19.6
135.08049	0.7
137.05969	0.4
145.02858	14.5
145.07590	0.4
145.10080	0.4
145.88655	0.3
146.03117	0.4
159.08055	0.4
161.06033	0.4
163.03912	100.0
164.04233	1.3
181.04961	2.4
191.08138	4.3
201.05609	0.3
203.11127	0.4
205.06464	0.4
219.08249	0.3
232.18248	0.3
233.05977	0.4
237.02609	0.3
237.09044	0.5
247.07701	0.4
251.07135	0.7
264.08151	0.3
265.08374	0.5
278.85345	0.3
279.06451	2.2
293.07977	0.6
307.08194	14.8
307.12915	1.0
325.06421	1.7
325.10541	0.7
325.14072	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	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01882	0.6
55.05510	1.8
56.05033	0.5
57.05829	0.4
57.07074	0.8
67.05511	3.4
67.07610	0.4
69.07071	10.5
69.07449	0.5
70.64757	1.3
74.02454	0.5
77.93876	0.4
79.05493	3.8
81.07063	7.8
83.04967	3.2
83.16837	0.5
85.06515	0.5
86.09710	100.0
91.05480	8.9
93.07050	12.3
95.04990	2.1
95.08630	2.0
105.07034	12.9
107.04945	1.0
107.08604	3.4
109.06528	9.6
109.10176	1.6
111.08066	3.3
117.06976	0.8
119.08591	4.3
121.10181	1.1
123.08064	0.8
128.10696	4.4
129.07008	1.2
131.08563	4.1
132.10211	30.5
133.06523	1.3
133.10138	17.3
135.08020	0.5
142.07794	0.5
146.75565	0.4
147.08060	0.6
147.11696	12.7
149.09628	1.6
149.13289	1.0
151.07562	2.9
151.11189	42.6
155.11914	0.5
156.10219	1.3
157.10194	0.5
165.12715	2.1
167.14264	0.7
175.11200	5.2
193.12263	5.5
200.78973	0.5
210.14984	0.8
222.14967	1.1
260.20087	6.3
278.21167	27.6
279.21432	0.6
288.19861	0.5
306.20639	6.1
324.12680	0.5
324.21707	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	324.2897
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
51.82098	0.6
53.35846	0.7
55.05511	4.8
57.07080	1.2
62.06089	100.0
67.05170	1.3
67.05503	18.8
69.07070	7.6
69.34461	6.1
69.34876	1.6
70.33272	0.7
73.13346	0.9
79.05483	3.2
81.07056	13.7
83.08611	3.0
88.01408	0.7
91.05475	2.9
93.07036	3.1
95.08601	14.0
97.10196	1.4
98.06055	1.4
105.06999	1.3
107.08596	1.8
109.10133	5.5
119.08565	1.7
121.10115	2.2
123.11668	2.0
133.10110	1.9
135.11649	1.1
179.17897	1.1
185.04166	0.7
217.61555	0.9
220.46783	0.8
245.22725	1.6
263.23657	1.9
297.81125	0.9
306.27863	3.2
307.26270	2.4
317.43918	1.0
324.28946	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	325.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20396	0.7
55.01867	2.8
55.05521	0.9
57.03425	2.3
61.02917	1.7
67.05490	1.3
68.61017	0.8
69.03434	7.7
69.07059	1.3
71.04975	1.3
71.58987	0.8
73.02908	2.0
79.05508	3.7
81.03437	4.9
81.07066	3.6
83.04967	1.2
84.08137	1.5
85.02932	3.7
85.06549	1.0
91.05470	3.1
93.07037	2.3
95.04969	2.5
95.08615	1.0
96.43015	0.7
97.02885	2.5
97.06532	1.0
99.04475	1.0
105.03358	1.0
105.07022	2.0
107.04961	2.0
107.08586	1.6
107.53578	0.9
108.08118	0.8
109.02910	1.1
109.06536	1.2
109.10112	1.3
111.04485	0.9
115.05467	1.9
115.49949	0.7
117.03429	0.7
117.07005	1.8
118.06590	0.8
119.04962	0.9
119.08562	1.4
120.04475	1.8
121.02855	0.7
121.06529	1.0
121.10158	1.5
123.08081	1.6
124.94517	0.7
127.03915	3.5
130.02888	1.6
130.04999	1.7
130.06506	1.5
131.08575	2.0
133.02873	5.4
133.10205	1.0
135.04404	5.3
135.08086	1.2
135.11676	0.7
137.06003	0.9
137.09599	1.0
142.06531	2.7
146.06073	0.8
147.04398	1.2
147.08054	0.8
147.09157	0.9
149.02354	9.6
149.09621	2.7
151.07582	1.4
152.04977	0.8
152.14346	3.4
153.09077	0.9
157.10141	1.3
161.09634	1.0
163.03922	58.4
163.11124	1.3
169.07602	3.1
170.06023	14.4
173.07162	1.1
175.11186	0.9
181.04988	1.0
182.06111	0.9
191.08191	10.9
194.34328	0.7
196.07625	0.8
197.07098	16.5
197.08723	1.4
198.05504	12.7
201.05502	1.2
209.07050	1.0
215.03481	1.2
223.08684	1.4
225.06609	42.2
226.05000	1.3
235.08713	1.1
238.07376	0.8
250.07513	2.8
251.08322	4.3
252.05405	0.9
252.08437	0.8
253.06123	20.1
253.08981	1.1
253.09949	1.3
264.15930	1.0
279.07535	2.7
281.18661	2.0
289.17880	0.9
297.08618	1.2
307.13007	2.8
307.18985	2.0
325.08209	100.0
325.16467	3.9
325.20947	3.1
326.08578	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	323.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.3
55.01871	18.4
55.05514	46.9
57.03448	6.5
57.70022	4.3
60.41158	3.9
62.06089	12.6
67.05511	85.7
69.03434	8.7
69.07079	29.5
71.04992	4.7
71.60482	7.2
74.66552	4.1
79.05499	64.8
81.03389	4.4
81.06580	6.0
81.07065	100.0
83.01343	7.4
83.04542	5.7
83.04987	63.0
83.08616	14.2
85.06541	9.8
91.05486	62.9
93.07054	64.6
95.04993	17.4
95.08619	52.3
97.06542	11.4
97.10195	8.7
99.08099	4.7
105.07033	59.4
107.04960	13.9
107.08595	61.1
109.06538	21.8
109.10170	70.2
111.04427	9.0
111.08091	16.1
114.12106	4.0
117.07030	13.8
119.08583	29.0
121.06506	22.0
121.10149	20.0
123.04456	5.8
123.08041	10.6
123.11717	16.2
125.09634	5.0
129.07014	10.5
131.08563	21.5
133.06502	18.7
133.10143	97.7
135.08051	10.6
135.11713	14.9
137.06010	4.7
137.09557	9.3
139.07542	10.7
143.08534	9.7
145.10112	18.3
147.08086	13.8
147.11710	8.3
149.09660	20.2
151.11182	77.2
155.08643	4.4
157.10161	8.5
159.11714	9.5
161.09601	19.7
161.13269	7.8
163.11244	6.9
165.12830	5.9
170.51555	3.9
171.11722	13.4
173.09544	3.7
175.11241	8.3
177.09114	14.1
179.10760	11.4
181.08572	6.0
183.13849	29.3
185.13293	5.7
189.12776	6.7
193.12283	6.0
227.17836	5.3
245.19032	18.4
245.89668	4.7
255.17497	10.0
262.75537	4.7
263.20108	15.9
273.18460	51.2
291.19604	73.4
305.21082	20.8
323.22406	41.5
323.26041	11.5
348.27689	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	324.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.8
61.02928	2.0
69.03419	5.6
69.32676	15.3
81.03421	8.2
83.04981	1.7
85.02916	10.9
97.02897	5.7
98.21515	3.4
109.02932	2.3
117.05769	2.0
117.07008	5.2
119.57531	1.9
121.02880	3.2
127.03933	3.5
129.06992	9.8
130.06548	9.7
132.08092	8.8
135.04425	2.2
137.02345	2.9
143.07318	17.5
144.08092	100.0
145.08463	2.1
156.08093	19.2
157.08908	3.9
158.06056	2.7
158.08360	3.6
158.09657	63.4
160.07571	11.4
162.09164	25.9
163.03938	9.7
167.07304	3.9
168.08098	14.1
170.09662	3.8
172.07509	3.3
174.09158	9.8
180.08096	1.7
181.08888	1.6
182.09644	4.6
184.07584	17.4
186.09149	52.7
196.07564	4.7
196.11224	3.0
198.09041	3.2
204.10222	42.4
205.06670	1.8
210.09189	2.4
214.08698	2.2
222.09145	1.9
224.10873	4.1
228.10245	2.8
240.10210	5.6
252.10144	4.2
270.11273	7.5
275.21503	1.5
288.12335	40.6
306.13373	29.9
324.14551	2.7
328.89511	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	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03074	6.3
51.25373	6.7
64.03043	7.3
64.63354	7.7
69.55221	31.6
69.55647	20.0
94.92995	52.7
98.97530	9.7
101.00885	16.8
112.89618	74.3
114.89343	43.6
119.01935	9.7
142.68779	6.8
143.01924	67.8
155.01918	23.1
161.02934	67.2
161.99522	9.1
173.02969	42.9
191.04118	7.3
203.04050	41.0
206.88530	8.4
248.89694	76.1
263.06104	11.3
323.07373	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78195	2.5
53.03935	7.9
55.01882	16.9
55.05257	3.4
55.05513	42.7
57.03433	7.6
57.07077	6.2
65.03930	5.4
67.05510	82.0
67.43178	2.4
69.03418	7.6
69.07074	34.4
71.04991	7.1
71.58881	2.3
73.06551	3.2
79.05497	60.3
81.03420	6.9
81.07062	88.6
82.08148	2.5
83.01340	3.4
83.04985	36.6
83.08625	13.1
85.06534	7.4
91.04972	4.3
91.05491	62.0
93.07047	66.8
95.04979	18.8
95.08605	48.5
97.06515	8.2
97.10187	6.0
99.08080	3.3
105.07037	48.3
106.81404	2.5
107.04981	14.9
107.08601	54.1
109.06536	15.2
109.10165	47.1
111.04444	11.5
111.08093	14.6
115.07536	3.6
117.07036	13.3
119.08582	31.0
121.06525	21.4
121.10156	18.8
123.04439	8.2
123.08060	10.1
123.11703	14.2
125.05962	4.5
125.09645	6.1
127.07576	4.3
129.06992	9.5
131.08540	13.6
131.45634	2.7
133.06523	20.6
133.10139	76.1
135.08055	13.7
135.11671	15.8
137.06007	4.4
137.09627	8.7
139.07535	13.3
142.07718	2.8
143.08563	16.0
145.06467	4.1
145.10139	15.1
147.08090	14.7
147.11739	14.9
149.09641	20.5
149.13268	3.8
151.07614	5.2
151.11191	63.3
155.56503	2.4
157.10152	8.8
159.08011	3.1
159.11684	7.6
161.09663	16.6
161.13306	4.5
163.11159	7.4
165.09145	4.0
165.12706	4.8
167.10706	2.6
169.10175	5.5
170.95134	2.6
171.11664	9.5
173.13362	5.3
175.11209	12.3
177.09120	9.7
177.12749	5.4
179.10648	17.6
181.08633	3.4
181.12215	3.0
183.13843	18.7
185.13268	4.5
189.12798	7.3
199.11113	6.4
203.14326	5.0
205.14613	2.8
207.13777	4.9
211.13371	3.4
213.12790	3.1
223.13194	4.0
227.18031	6.2
229.14243	3.3
245.19127	21.0
255.17444	6.0
263.20074	26.1
273.18524	46.5
291.19553	100.0
305.21265	13.9
305.60709	2.6
309.09811	3.3
323.07626	6.0
323.11316	3.9
323.22266	40.2
324.12247	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	322.2741
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03957	1.2
55.05499	3.6
60.15274	0.9
62.06094	100.0
64.65325	0.9
67.05513	15.6
69.07065	3.6
69.91299	1.7
69.91705	4.0
75.29977	0.8
79.05501	10.0
79.31786	0.8
81.07060	14.1
83.08601	1.7
91.05505	5.2
93.07056	10.6
93.25779	0.9
95.08612	13.7
98.77416	0.9
102.54467	0.9
105.07021	4.1
107.08605	6.5
109.10172	6.4
117.06951	1.5
119.08590	1.4
121.10168	5.3
123.11730	2.5
131.08591	2.5
133.10185	1.3
135.11662	3.4
145.10117	1.7
147.11624	1.5
149.13274	1.5
159.11635	1.3
161.13228	1.4
163.14786	1.6
177.16417	1.4
205.07060	1.0
228.19547	1.0
243.21063	3.3
261.22214	4.8
304.26443	3.0
305.24780	2.4
322.27448	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	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.1
57.07074	1.9
58.77134	0.7
60.04517	1.1
60.66964	0.8
62.06092	100.0
67.05513	17.6
69.07076	4.4
70.02967	0.8
70.76773	1.8
71.08607	0.8
79.05501	11.8
81.07059	20.2
81.07523	1.4
83.08640	2.0
85.06509	1.1
85.10188	1.1
91.05489	6.6
93.07047	15.0
93.07626	1.1
95.05011	0.9
95.08614	15.3
97.06535	0.9
97.10190	1.2
98.06059	0.9
105.07030	5.2
107.08594	9.0
109.10158	5.0
117.07059	2.5
119.08599	3.8
121.10123	6.4
123.11742	1.3
131.08540	4.1
133.10181	2.2
135.11684	5.1
137.13304	1.3
144.10211	0.8
145.10172	3.2
147.11671	1.5
149.13327	2.6
158.11803	1.5
159.11726	1.9
161.13350	1.7
163.14894	2.7
173.13361	1.5
177.05540	1.6
177.16396	4.3
186.14987	1.0
187.06006	0.7
187.14796	1.0
200.16512	1.2
216.16615	0.8
219.21223	1.2
231.35889	0.8
234.11452	1.1
238.18170	0.8
243.21118	6.0
261.22180	5.1
265.16983	0.7
279.05475	1.7
304.26422	2.2
305.24899	3.2
306.69910	0.9
307.04913	1.7
322.07175	4.9
322.21588	1.4
322.27423	20.4
322.30939	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	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99181	0.6
55.05524	4.2
57.07076	0.9
60.04521	1.7
60.08263	0.6
62.06094	100.0
65.03965	0.8
67.05506	17.6
69.06741	0.8
69.07062	3.5
71.08638	0.9
71.35471	0.9
72.08118	1.0
79.05499	12.3
81.07062	20.3
83.08637	2.4
85.06561	1.2
91.05486	6.7
93.07052	14.6
93.07609	0.7
95.04996	1.2
95.08610	16.1
97.06574	0.8
97.10184	0.9
98.06059	0.9
105.07024	4.2
107.08604	8.4
109.06499	0.8
109.10153	6.1
117.07107	0.9
119.08627	3.1
121.10157	9.3
123.11771	2.8
130.08672	1.1
131.08583	4.3
133.10127	3.3
135.11708	4.5
137.09731	0.7
144.10316	0.9
145.10124	3.4
147.11725	1.5
149.09608	0.9
149.13313	2.8
158.11836	1.4
159.11768	2.3
161.13341	2.1
163.14911	2.2
165.16229	0.7
173.13298	2.2
177.05547	1.1
177.16484	3.0
186.14909	1.1
187.14899	1.0
228.11946	0.9
243.21126	5.7
261.22144	7.1
304.26529	3.1
305.24774	1.2
322.07312	1.8
322.21579	1.6
322.27454	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	322.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28651	0.9
50.65147	0.9
54.12360	1.0
58.06593	2.3
70.06606	8.0
70.98576	1.0
70.98908	1.1
72.08163	92.8
84.08154	6.3
88.78967	0.9
89.03916	1.3
100.07628	15.8
110.09686	1.8
112.11219	6.3
113.07122	5.4
117.03390	11.0
126.09190	1.1
129.13857	6.0
134.03627	1.4
137.05988	6.7
145.02866	52.2
146.16559	1.4
148.72015	0.9
149.06012	5.1
155.11812	28.1
170.75742	1.1
171.14964	4.4
172.14403	5.7
177.05490	100.0
178.05864	1.2
191.09518	2.9
206.11775	16.7
219.08824	1.2
234.11278	76.7
235.11722	1.4
251.13919	13.6
304.20206	1.3
305.18619	26.3
322.21289	77.2
323.21722	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	322.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
54.03477	1.5
55.05503	3.6
56.05034	7.5
56.96563	5.7
57.03444	1.0
58.58035	0.7
58.99888	0.9
61.02932	1.2
68.05039	2.5
69.03433	2.3
70.06596	14.8
70.59223	1.6
70.59573	1.6
71.05002	1.8
71.07379	7.9
72.08163	100.0
78.09435	0.7
80.04965	1.0
81.03433	1.1
81.07050	1.3
84.04537	2.5
84.08150	3.2
85.02898	4.7
86.06085	2.3
87.09219	1.8
88.07639	55.2
97.02910	2.2
98.06049	3.5
98.09693	1.4
98.97594	8.7
100.07638	1.9
101.00905	1.2
102.00961	1.1
108.08121	0.8
110.09682	8.7
113.08392	1.3
113.10778	1.0
114.09180	1.5
116.98624	7.1
119.01922	4.3
119.02732	0.9
120.02016	2.1
122.07133	1.0
123.04458	3.1
123.05465	1.0
125.10786	2.4
126.09167	57.7
127.03931	1.4
128.98642	1.7
131.00180	0.8
131.01917	2.5
132.02072	3.0
134.99680	2.6
135.04501	1.5
136.00760	0.8
138.05531	2.1
142.03305	0.8
143.11807	86.0
144.12190	0.9
145.02878	2.7
146.99721	0.9
156.02060	2.1
157.09769	2.4
158.99641	0.9
160.07629	1.1
161.01274	0.8
161.02928	1.5
161.48833	0.7
163.03922	6.4
169.09732	16.5
173.03000	2.3
174.03140	7.3
174.99300	1.0
175.02646	2.0
177.00763	1.6
177.05493	4.8
180.06506	1.6
180.17453	0.7
181.04996	0.9
186.03189	1.2
186.12419	2.6
191.02400	1.0
192.10202	24.5
192.11909	1.6
193.00186	0.9
201.02484	3.4
202.02625	11.1
203.02243	2.4
205.00377	0.9
214.02733	2.6
219.01785	1.4
219.03583	7.0
220.03682	28.3
221.03299	4.5
221.05225	1.2
232.03665	3.0
234.11304	3.1
238.02959	1.2
241.06390	1.3
250.04855	1.1
251.14081	1.1
262.04666	2.0
263.13821	3.9
293.15033	1.2
298.94168	1.6
305.15146	1.2
305.18463	1.2
322.06671	1.8
322.17664	41.4
322.21213	3.7
323.06290	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	322.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86205	0.5
55.01884	0.6
55.05519	2.5
56.05046	3.3
58.53372	0.5
58.99588	0.8
61.15986	0.5
67.05519	2.3
69.03423	0.9
70.06602	1.2
71.59471	0.6
72.08164	8.7
75.18516	0.4
79.05497	1.9
81.03433	1.4
81.07057	1.9
82.06580	1.1
83.04980	1.0
84.08144	1.3
91.05495	3.4
92.05841	1.3
93.07059	4.0
95.08615	2.3
96.08121	0.9
98.97593	0.8
99.02671	1.0
100.07629	100.0
101.04251	29.5
101.04943	0.8
101.06033	4.4
101.07969	0.7
102.96715	0.6
104.98329	1.6
105.07038	0.6
109.02901	0.8
111.24336	0.4
112.11234	0.6
113.07144	0.5
117.03403	1.2
117.07045	0.5
118.08630	3.1
121.06533	1.5
123.08048	1.0
124.07613	3.7
125.04222	2.9
127.05794	3.2
133.10144	0.5
137.06038	0.8
145.02856	4.8
149.06094	0.5
155.11810	2.0
159.03029	2.4
160.07680	0.6
177.04059	24.2
177.05521	8.5
178.05829	0.8
187.02490	4.1
190.93317	0.5
204.05182	1.0
205.03539	22.9
206.11826	2.1
234.11272	6.7
240.16003	1.0
245.33981	0.5
251.13948	0.9
286.09283	0.9
304.10388	4.8
305.18704	2.1
322.11444	8.1
322.21286	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	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03942	1.7
55.01853	2.2
55.05520	12.1
57.03440	9.1
57.07079	3.9
57.22602	0.7
57.60963	0.7
65.03951	0.9
65.10059	0.6
67.05505	13.0
69.03423	1.0
69.07074	7.6
71.04976	1.4
71.08628	2.8
71.58720	0.7
79.05113	0.9
79.05498	8.8
81.03393	1.0
81.07061	14.4
81.71093	0.8
83.04988	10.4
83.08614	3.6
85.06550	3.8
91.05041	0.9
91.05490	9.0
93.07059	11.6
95.04949	2.9
95.08610	13.6
97.02965	0.9
97.06520	2.7
97.10166	2.7
99.04449	1.2
99.08111	1.4
105.07046	6.7
107.04969	8.1
107.08585	7.1
109.06528	20.0
109.10172	3.8
111.04475	5.6
111.08069	2.6
113.00048	1.2
114.17844	0.7
115.05479	0.9
117.07021	3.5
119.08589	8.2
121.06521	2.0
121.10149	5.9
122.07298	1.3
123.08079	55.2
123.11722	1.3
125.06005	1.0
125.09653	1.0
128.06276	0.9
129.07011	1.5
131.08589	5.1
133.06479	2.1
133.10114	4.1
135.04301	1.0
135.08076	7.9
135.11676	1.8
135.75511	0.8
137.08606	0.8
137.09618	4.2
139.11156	0.9
143.08545	1.0
145.10132	3.9
147.08032	1.7
147.11668	3.4
149.09619	3.2
149.13239	1.7
151.07515	0.9
151.11182	1.1
155.08551	1.9
157.10191	1.2
159.08026	3.8
159.11679	2.9
161.09595	2.4
161.13239	1.3
163.07492	1.1
163.11168	1.8
169.10136	0.8
171.11703	1.5
173.09619	1.5
173.13202	1.0
175.11191	1.1
175.14922	0.9
177.09117	0.9
177.12727	2.8
179.14325	57.1
187.11185	1.3
187.14806	2.6
189.12799	1.1
197.13173	1.7
199.11118	1.2
201.16399	1.2
205.15883	2.7
215.14313	1.9
217.12454	1.0
233.15402	6.6
237.74402	0.9
242.82201	1.0
243.17361	1.2
249.14836	0.8
261.18530	3.1
261.22037	1.2
265.18018	16.9
271.16968	3.9
289.18030	8.1
303.19922	1.1
303.23038	4.0
307.44009	0.9
313.02963	0.8
321.05981	1.0
321.24240	100.0
322.07001	2.1
322.24579	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	321.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01853	2.2
55.05520	12.1
57.03440	9.1
57.07079	3.9
57.22602	0.7
57.60963	0.7
65.03951	0.9
65.10059	0.6
67.05505	13.0
69.03423	1.0
69.07074	7.6
71.04976	1.4
71.08628	2.8
71.58720	0.7
79.05113	0.9
79.05498	8.8
81.03393	1.0
81.07061	14.4
81.71093	0.8
83.04988	10.4
83.08614	3.6
85.06550	3.8
91.05041	0.9
91.05490	9.0
93.07059	11.6
95.04949	2.9
95.08610	13.6
97.02965	0.9
97.06520	2.7
97.10166	2.7
99.04449	1.2
99.08111	1.4
105.07046	6.7
107.04969	8.1
107.08585	7.1
109.06528	20.0
109.10172	3.8
111.04475	5.6
111.08069	2.6
113.00048	1.2
114.17844	0.7
115.05479	0.9
117.07021	3.5
119.08589	8.2
121.06521	2.0
121.10149	5.9
122.07298	1.3
123.08079	55.2
123.11722	1.3
125.06005	1.0
125.09653	1.0
128.06276	0.9
129.07011	1.5
131.08589	5.1
133.06479	2.1
133.10114	4.1
135.04301	1.0
135.08076	7.9
135.11676	1.8
135.75511	0.8
137.08606	0.8
137.09618	4.2
139.11156	0.9
143.08545	1.0
145.10132	3.9
147.08032	1.7
147.11668	3.4
149.09619	3.2
149.13239	1.7
151.07515	0.9
151.11182	1.1
155.08551	1.9
157.10191	1.2
159.08026	3.8
159.11679	2.9
161.09595	2.4
161.13239	1.3
163.07492	1.1
163.11168	1.8
169.10136	0.8
171.11703	1.5
173.09619	1.5
173.13202	1.0
175.11191	1.1
175.14922	0.9
177.09117	0.9
177.12727	2.8
179.14325	57.1
187.11185	1.3
187.14806	2.6
189.12799	1.1
197.13173	1.7
199.11118	1.2
201.16399	1.2
205.15883	2.7
215.14313	1.9
217.12454	1.0
233.15402	6.6
237.74402	0.9
242.82201	1.0
243.17361	1.2
249.14836	0.8
261.18530	3.1
261.22037	1.2
265.18018	16.9
271.16968	3.9
289.18030	8.1
303.19922	1.1
303.23038	4.0
307.44009	0.9
313.02963	0.8
321.05981	1.0
321.24240	100.0
322.07001	2.1
322.24579	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	321.1448
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
57.03430	3.3
67.05509	9.0
69.03430	1.8
70.00327	5.9
70.06602	2.5
71.01356	4.6
71.05004	7.7
72.08159	1.8
73.02923	7.5
79.05494	2.4
82.06601	2.9
83.05022	1.8
85.02911	9.2
89.06021	2.5
91.05466	1.9
93.07050	1.8
94.06563	11.5
95.04950	3.3
96.08149	2.1
97.02901	2.6
98.21455	2.2
99.00858	1.7
103.38393	1.4
105.89333	1.5
107.07333	1.7
108.08125	6.2
110.06088	3.2
110.09682	1.9
113.02360	4.6
120.08112	5.5
122.06022	7.9
131.03427	2.3
134.06056	2.3
136.07600	4.3
138.05507	25.3
138.09152	5.6
141.01820	5.3
145.07631	2.5
145.08620	13.7
148.07600	5.5
156.06596	10.3
158.09698	2.7
162.05528	2.1
166.08647	10.8
169.08904	1.9
170.09682	1.7
173.07104	3.7
174.07930	4.5
174.09245	1.8
177.05498	2.3
184.11266	4.2
186.09167	3.5
187.09903	1.9
189.10248	5.0
194.09698	2.3
195.09206	3.5
196.09950	13.2
197.10770	3.9
202.08633	6.2
202.10991	5.8
203.03445	3.9
203.11838	5.6
206.08432	26.5
209.07079	2.2
209.10796	2.7
210.11513	3.4
211.08534	2.3
211.12296	17.3
212.10745	4.7
213.10242	1.9
214.08688	5.8
215.09499	5.3
220.09978	4.5
221.10831	12.3
221.12758	2.2
223.08691	9.3
224.09422	9.4
225.10033	1.8
227.08186	6.0
227.11806	1.6
229.09575	1.6
229.13449	2.6
230.11798	4.4
232.09729	3.9
232.12105	1.6
237.10245	5.6
238.11076	9.3
239.08206	3.1
239.11812	32.4
239.14136	2.8
240.10228	1.5
241.09836	2.5
244.12163	4.4
252.08958	3.8
254.10361	2.3
257.12857	12.2
258.11176	8.1
267.08408	3.2
267.11307	65.3
272.11710	4.2
275.13849	10.9
276.12320	11.0
278.14572	1.7
285.12366	100.0
290.12744	3.0
293.15027	2.2
303.13412	60.7
304.11728	7.5
321.14563	30.2
340.34680	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	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65651	0.5
53.03954	0.7
67.05510	8.4
71.31381	1.3
79.05495	0.5
81.07064	0.5
91.05486	1.5
93.05830	0.5
93.07063	1.2
93.97045	0.5
94.06573	9.3
95.04968	0.7
99.74117	0.4
100.12376	0.4
108.08130	0.7
110.50148	0.4
118.06501	0.5
122.06042	30.3
130.06520	0.7
136.07590	58.2
140.07095	0.9
146.06026	1.2
164.07082	100.0
182.08147	72.5
183.08546	0.6
188.07063	1.0
195.80789	0.5
243.11227	0.5
259.14294	0.8
283.82294	0.6
286.10687	0.6
304.11771	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	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
60.04523	2.2
65.03931	1.3
67.05511	14.7
69.03431	7.4
69.07088	1.0
69.77979	5.5
70.02966	4.7
70.06577	2.1
71.05000	1.3
72.08138	1.9
78.04761	1.0
79.05497	1.4
81.03403	6.0
81.07070	1.1
84.08146	1.7
85.02879	2.9
88.03985	2.2
91.05481	23.3
91.49540	0.9
93.07043	2.3
94.06573	14.6
97.15231	0.9
98.21437	1.8
102.05544	21.8
105.06995	1.6
107.04949	1.2
108.08157	1.3
109.10108	1.2
111.04430	1.4
117.03385	1.4
122.06033	56.6
128.04916	2.8
131.08556	1.2
132.04449	2.0
132.95804	2.8
135.08066	1.9
136.07581	71.7
137.05988	1.2
140.07152	1.0
145.02835	3.8
146.06012	93.8
147.06322	1.6
148.06041	4.5
162.05566	1.6
164.07071	100.0
171.08017	1.3
174.05510	16.1
174.96927	2.2
177.05484	5.7
179.70303	0.9
182.08130	70.9
183.08443	1.8
205.08517	1.1
236.87151	1.1
243.07649	2.5
244.09763	1.3
258.11188	1.8
261.08731	1.5
275.10251	4.7
303.12866	1.3
304.11829	2.0
321.10068	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	320.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05505	4.8
55.28252	0.7
57.07071	1.1
60.04512	2.4
62.06093	100.0
67.05510	12.2
69.03448	0.9
69.07088	4.6
70.02944	0.7
71.04987	0.8
71.08619	0.8
71.60210	0.9
74.84888	0.7
76.85826	0.7
79.05500	13.6
79.05907	1.6
81.03408	1.2
81.06622	0.9
81.07061	15.9
83.04969	1.7
83.08611	1.7
85.06524	1.4
89.03944	0.9
91.05482	14.4
93.07052	23.0
95.04950	2.4
95.08609	11.6
97.06512	1.6
97.10193	1.5
98.06031	0.8
99.08094	1.1
105.07037	15.7
105.19347	0.7
107.08606	15.0
109.06542	1.0
109.10160	5.0
117.07010	3.4
119.04939	0.8
119.08593	16.9
120.08902	1.3
121.10144	11.4
123.11705	1.7
129.06985	2.2
130.06538	9.0
130.08618	2.4
131.04919	1.3
131.08557	5.4
133.02901	1.1
133.10126	10.3
135.08063	1.0
135.11693	11.8
142.06532	1.1
143.08562	2.8
144.10202	2.3
145.10124	5.5
147.04398	8.3
147.11682	7.7
149.13272	8.2
157.10136	2.3
158.06044	1.2
158.11902	0.8
159.11699	4.3
160.05255	5.0
161.02306	1.1
161.13271	8.0
163.11070	1.0
163.14847	4.6
171.11682	2.4
172.13365	2.3
173.13286	2.5
175.03903	3.2
175.14836	11.8
176.04752	0.9
177.05380	0.8
177.12743	1.4
177.16431	1.4
185.13242	2.1
186.14842	1.1
189.12723	0.9
191.03426	3.7
198.14891	1.8
199.14827	2.2
203.14400	1.0
212.16504	1.1
216.53824	0.8
217.19543	4.9
226.17967	1.0
231.21178	1.8
238.18008	1.2
241.19594	8.4
259.20572	15.6
275.06924	1.3
277.21790	0.9
293.07938	1.3
302.21857	1.2
302.24863	3.1
303.23129	1.9
320.05981	4.5
320.09390	1.2
320.25891	39.7
321.07587	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	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22421	0.6
52.41914	0.6
59.42384	0.5
65.03945	0.7
67.05505	10.1
71.04234	0.8
71.04588	1.2
72.08152	0.8
79.05482	1.2
81.03421	1.0
81.07052	0.6
89.78086	0.6
91.05479	2.9
93.05801	0.7
93.07044	1.2
94.06567	10.1
95.04998	1.2
105.03346	0.7
106.65096	0.6
108.08105	0.7
109.02918	0.7
114.63701	0.6
118.06526	0.7
119.04947	3.6
122.06034	39.1
123.04449	0.7
126.05547	1.0
130.06548	1.4
130.08615	1.1
132.08130	0.7
135.35077	0.6
136.07585	62.3
140.07063	1.4
144.08098	1.5
146.06085	3.2
146.07117	0.8
147.04422	12.2
155.70006	0.7
164.07076	100.0
165.07440	1.3
177.05435	0.9
182.08138	60.4
183.08563	0.6
188.07094	2.4
208.87767	0.8
242.11786	1.0
247.02214	0.7
258.11392	1.2
259.14401	3.0
286.10748	1.2
303.13287	0.8
304.11746	1.8
334.13806	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	320.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
51.77321	1.0
53.03952	1.2
55.05514	5.2
57.07064	1.2
60.04533	2.3
62.06094	100.0
67.05510	12.3
69.07075	4.4
69.72322	0.9
70.93789	2.0
73.21883	1.1
79.05499	13.0
81.03419	1.8
81.07066	16.3
83.08644	3.0
85.06546	1.9
91.05486	14.5
93.07047	20.3
95.04950	1.9
95.08611	9.8
97.02882	1.5
97.06537	1.2
105.07038	12.9
107.08600	15.8
109.06555	1.3
109.10183	4.4
115.05473	1.0
117.07069	2.1
119.04932	1.8
119.08593	13.6
121.10160	13.4
123.08055	0.9
123.11731	1.3
129.06995	1.9
130.06558	8.7
130.08676	2.3
131.08589	5.9
133.10132	11.2
135.11699	12.5
136.93126	1.0
142.06538	1.6
143.08580	3.5
144.10196	2.1
145.10112	5.0
147.04414	9.5
147.11720	9.0
149.13274	6.6
157.10069	1.7
158.06023	1.6
158.11769	1.3
159.11725	3.8
160.05251	4.0
161.13286	9.7
163.14864	5.3
164.66927	1.0
171.11743	3.2
172.13351	1.5
173.13303	2.3
175.03949	2.9
175.14844	10.9
177.12805	1.8
184.13243	1.1
185.13335	1.8
186.14946	1.3
191.03442	2.9
199.14929	1.9
217.19563	4.1
231.21046	2.3
239.85294	1.0
240.19643	1.4
241.19489	9.9
259.20612	15.2
275.07178	1.0
284.20831	1.3
292.22699	1.0
302.24817	2.0
303.06552	1.7
303.23087	1.9
320.05936	6.5
320.09229	1.6
320.22772	2.1
320.25894	37.9
321.07663	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	319.2271
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
50.58284	1.9
53.03937	5.5
55.01866	4.2
55.05508	16.3
56.71124	2.2
57.03440	3.9
57.07059	7.6
62.06075	3.9
65.03929	2.6
67.05513	32.2
69.03415	9.5
69.07076	32.6
71.04987	4.7
71.59884	2.1
71.60308	3.2
79.05504	31.0
81.03411	9.7
81.07066	56.3
83.04973	7.1
83.08624	13.2
85.06529	5.2
91.04964	3.1
91.05490	50.7
93.07058	60.0
95.04971	20.6
95.08057	4.7
95.08613	61.6
97.06535	6.2
97.10151	5.8
103.05446	3.0
105.07035	57.0
107.04952	4.0
107.08603	50.2
109.06503	10.1
109.10162	35.9
111.08052	3.0
111.11716	5.9
115.05432	3.4
117.07014	13.4
119.04959	3.0
119.08592	50.9
121.06496	13.6
121.10151	21.6
123.08068	7.0
123.11716	20.7
125.05922	2.1
125.09652	2.6
128.06190	2.1
129.06985	11.9
130.06523	10.4
130.07733	3.2
131.08592	28.1
133.06488	6.1
133.10123	26.5
135.08070	15.3
135.11684	13.5
137.09583	4.3
137.13258	23.6
139.07542	2.5
141.07053	2.8
142.07765	6.0
143.08575	17.5
144.09352	2.9
145.10130	26.9
147.04433	4.5
147.08057	8.0
147.11691	16.1
149.09624	14.7
149.13257	13.9
151.11156	3.0
153.12761	3.2
155.08450	5.4
156.09322	4.5
157.10155	18.7
159.08029	4.4
159.11691	23.0
161.09624	6.3
161.13248	14.3
163.11162	6.5
163.14793	8.1
165.09100	3.7
165.12709	3.0
168.09406	2.6
169.10092	6.6
171.11702	15.7
173.09608	6.1
173.13295	13.7
175.11241	5.5
175.14790	6.4
177.09111	4.3
177.12729	5.7
179.14259	3.0
181.10155	3.3
183.11690	9.4
185.09514	3.3
185.13266	9.8
187.11195	7.3
187.14830	8.0
189.12822	4.4
191.03375	4.7
191.10715	4.3
191.14362	2.3
193.12198	6.7
195.11687	5.0
197.13226	5.9
199.11227	3.6
199.14813	8.6
201.12752	4.4
201.16426	3.7
203.14301	3.2
205.12155	3.1
209.13295	6.0
211.14824	3.4
213.12685	6.5
213.16440	4.0
215.14221	2.7
217.12195	3.3
217.15849	3.5
219.13748	3.0
221.95628	2.4
223.14906	3.2
223.16840	3.0
225.16370	3.6
227.14398	4.6
227.17972	2.7
233.19293	2.5
239.17947	2.9
243.17337	3.0
245.15343	5.5
253.19563	3.9
255.05077	2.2
255.21129	14.9
259.20673	4.4
265.19482	11.0
271.20624	10.3
273.18112	2.4
273.22000	11.1
283.20551	32.7
289.21698	23.3
291.06531	2.8
291.23148	3.1
301.21631	53.5
319.06110	5.1
319.10196	5.1
319.22668	100.0
320.09280	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	319.1542
Annotation	Zearalenone
Peak:m/z	Relative Intensity
56.96567	68.7
59.41368	1.1
66.26449	1.1
68.03417	1.0
69.03425	2.4
70.06586	1.3
70.18033	4.3
70.99850	2.1
71.95243	2.1
72.08170	1.3
72.96032	4.6
74.97599	2.1
83.97606	1.8
84.08137	1.9
84.09608	1.1
84.96025	3.4
85.02897	3.8
86.09696	7.5
97.02882	2.3
97.99190	1.2
98.97570	13.0
101.00880	5.7
106.29900	1.0
109.02876	1.2
110.07207	1.0
110.97567	3.1
113.00888	1.0
114.66946	1.2
115.00670	1.6
115.02406	2.9
116.98617	4.9
119.01936	11.7
119.67007	0.8
126.02270	3.6
126.33186	0.9
127.00616	1.1
127.03977	1.7
128.98630	6.7
131.01920	3.0
131.50755	0.9
133.01695	1.1
133.03490	7.8
134.99635	2.6
137.02959	2.5
138.05516	4.8
138.06422	0.9
139.05875	6.5
140.03859	6.3
142.01704	1.5
142.05409	5.3
143.00195	1.4
143.01898	3.4
144.03319	3.3
145.03474	3.3
146.99661	2.8
147.03275	1.6
151.04562	1.6
155.01903	1.5
156.06505	2.2
156.98070	1.9
157.03497	2.1
157.06874	2.9
157.10814	2.7
158.04919	8.9
158.99632	3.2
159.05040	1.8
160.06458	14.2
161.01202	1.6
161.02960	3.8
161.04803	1.0
163.04546	1.6
169.03503	1.3
170.04857	5.9
171.01503	1.5
171.03299	2.7
171.04974	1.6
173.02954	3.4
174.99165	12.8
175.00887	6.0
175.02802	3.2
175.04495	2.4
176.05992	2.6
177.00735	3.1
177.06129	2.5
178.07501	2.1
185.03003	1.7
187.04515	3.0
188.05933	10.8
189.00926	1.4
189.02484	4.9
189.04358	13.5
193.00229	14.5
193.01886	2.3
193.03738	2.0
199.04510	2.1
201.02422	1.1
201.06108	1.1
203.04102	1.7
206.06987	25.4
207.05409	6.9
211.04521	1.4
217.01956	16.4
219.01747	3.1
221.05083	2.4
224.08041	28.0
224.10249	1.7
235.03000	8.6
237.02812	3.0
245.05057	1.9
248.08174	1.3
251.04469	2.6
259.03159	2.1
259.06689	7.6
277.04205	7.0
277.07474	2.0
294.96384	2.3
295.05594	1.4
301.14349	14.6
302.12601	1.6
319.03479	2.4
319.09201	4.0
319.15414	100.0
337.16479	11.5
338.12784	1.8
342.16992	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	319.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.3
65.03602	0.9
65.03938	10.1
67.05492	1.4
69.95406	2.6
79.05499	3.2
80.05003	1.2
81.05785	1.8
81.07060	2.0
82.06607	0.9
83.08604	0.8
91.05466	0.7
92.05010	10.9
94.06545	1.8
95.04988	1.0
96.04487	1.2
96.08137	9.0
97.06535	1.1
98.06041	0.8
104.16352	0.6
105.06995	0.7
107.08595	0.7
109.06570	1.2
110.06059	1.2
118.06495	0.7
120.04493	1.9
122.06034	2.2
124.07593	7.1
126.08298	1.1
126.09169	16.5
128.69058	0.6
131.08549	0.7
132.08057	1.3
133.70496	0.7
134.05991	0.8
138.05513	2.0
138.09137	4.6
144.08081	1.5
145.07686	0.8
146.06009	1.3
148.03943	4.7
150.05499	2.9
150.09145	1.7
150.33138	0.8
152.07080	50.5
157.07555	1.0
157.08818	1.0
158.09679	1.3
164.03464	1.9
166.05011	100.0
167.05330	1.0
167.07353	1.3
168.06685	0.7
169.07632	0.9
170.08340	0.7
170.09666	1.0
170.75024	0.7
171.09090	1.4
172.07693	0.8
173.07103	1.1
174.05563	0.8
174.09085	0.8
176.03433	16.0
177.95743	0.7
178.05002	0.9
181.07643	0.9
182.04507	18.9
182.09688	1.3
184.07562	1.1
184.09972	2.4
184.11348	0.8
185.08449	1.2
185.10846	1.0
188.07132	1.6
194.04518	9.9
196.09946	0.7
197.07030	1.6
197.10756	0.9
198.07867	2.7
198.09427	1.1
199.08607	3.7
199.12318	1.8
200.09203	0.8
200.10817	4.9
201.10284	0.8
209.10745	1.8
210.07674	1.1
211.08669	2.6
211.12308	0.9
212.09306	6.4
213.10243	2.4
215.08168	2.3
215.11746	1.5
225.06583	1.3
225.10196	5.3
226.11049	1.7
227.08183	2.5
227.11801	9.6
228.10420	5.2
229.06165	1.4
229.09772	1.4
229.13353	2.5
231.07779	0.8
233.09171	4.5
237.10249	2.0
239.08089	2.0
240.08806	7.3
241.06114	1.3
241.09760	4.2
242.10506	1.9
243.11281	4.9
245.09251	2.0
245.12811	0.9
253.09758	7.3
254.08165	2.7
255.07703	0.7
255.08374	0.8
255.11292	8.5
257.09280	4.6
257.12842	3.6
259.07144	6.8
261.12372	4.4
265.09689	1.0
270.10034	3.1
271.10788	19.9
272.09067	2.7
272.11636	2.3
273.08768	2.6
273.12344	10.5
275.14127	1.3
282.19391	0.8
283.10788	66.8
284.11377	1.6
288.11044	1.8
289.11844	11.7
291.13419	0.8
301.11844	66.6
302.12439	1.3
319.12903	73.4
320.13171	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	319.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28209	0.5
53.88234	0.4
60.04504	0.5
67.05516	1.0
67.32626	0.4
69.03432	1.3
69.07040	0.8
70.06601	1.7
70.98376	1.1
70.98730	0.5
71.04970	0.7
75.88936	0.5
78.99246	0.4
79.05505	1.0
81.03412	1.3
81.07068	0.8
83.04951	0.6
84.38597	0.5
85.02908	2.0
86.09705	6.9
87.10035	3.9
93.07067	0.9
95.08600	0.7
97.02909	0.9
97.06517	0.6
105.07043	0.7
107.04961	1.4
108.05289	1.1
109.02908	1.4
117.06911	0.5
118.06559	1.2
119.08590	0.6
127.03910	1.2
128.04196	0.8
128.10696	3.9
129.11089	4.0
130.06525	1.1
132.08093	1.5
135.04430	0.6
139.07602	0.5
144.08098	1.0
145.07616	0.7
146.06023	3.6
151.07561	0.8
156.10188	0.6
157.07550	0.8
157.08670	1.6
158.09679	0.7
158.97437	0.6
166.05070	0.7
167.05222	0.6
167.07281	0.6
169.07704	0.6
170.08308	0.6
171.09213	1.8
174.09187	0.8
175.11255	0.5
183.09151	1.3
184.09998	2.2
185.07088	0.7
188.07053	3.7
197.07141	0.6
197.10788	0.7
198.07883	1.6
199.08670	2.4
199.12297	2.0
200.10722	1.0
205.07408	0.6
209.10751	0.9
210.11566	0.5
211.08714	3.4
211.12170	0.5
212.05569	0.5
212.09427	4.3
213.10231	4.2
225.10260	3.6
226.11037	10.5
227.11809	14.0
228.10237	5.4
237.10419	0.6
241.09839	0.6
254.10516	1.1
255.11317	7.8
257.09186	0.6
257.12939	0.8
270.09991	20.2
271.10706	3.1
272.11575	17.5
273.12338	10.5
275.13864	1.6
283.10760	6.9
301.11841	100.0
302.12180	2.2
319.12927	30.8
320.13187	0.8
330.00198	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	319.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12172	1.0
56.96572	67.2
58.99846	1.1
69.03425	2.5
70.01376	4.2
70.98124	2.4
70.99856	1.2
71.95251	1.7
72.08168	2.8
72.96034	4.3
73.02941	1.0
74.87882	1.0
74.97626	1.7
77.00892	1.5
83.97632	2.5
84.08125	1.2
84.96043	3.8
85.02905	3.7
86.09715	7.1
97.02930	4.4
98.97604	11.2
101.00898	5.9
102.97015	0.9
110.20116	1.2
110.97548	3.3
112.00757	1.0
115.02410	1.2
116.98610	3.9
117.02133	1.0
119.01925	10.1
124.00737	1.7
126.02274	3.8
127.00714	1.3
127.03916	1.0
128.98579	4.6
130.01712	0.9
131.00227	1.5
131.01889	3.5
133.03474	7.6
134.99686	1.9
137.02933	1.8
138.05530	4.4
139.05838	4.1
140.03870	5.5
142.01765	1.1
142.05379	6.4
143.00139	1.1
143.01923	3.6
143.03778	1.1
144.03308	2.7
145.01787	1.3
145.03485	3.0
146.99660	1.6
147.01372	2.0
151.04597	1.8
155.01910	2.4
156.06561	1.5
156.98193	1.9
157.01701	2.0
157.03499	3.8
157.06949	1.4
157.10890	1.2
158.04930	11.4
158.99657	2.6
159.05042	3.3
159.06406	1.5
160.06490	14.0
161.02994	4.8
163.04535	1.1
165.00755	1.4
165.20634	1.0
169.03522	2.1
170.04903	5.9
171.01427	1.4
171.03314	3.2
171.04936	2.1
173.02951	3.1
174.99159	5.1
175.00877	4.8
175.02760	4.1
175.04446	2.2
176.05966	3.0
177.00839	2.2
177.06073	2.2
178.07584	4.4
185.02873	1.9
187.04536	3.2
188.06006	10.3
189.02483	4.1
189.04379	15.4
190.95558	1.2
191.04085	1.0
193.00194	4.2
193.01866	1.6
193.03633	1.2
197.03058	1.2
199.02837	1.4
199.04517	1.6
201.00656	1.1
201.06216	1.3
203.03993	2.4
206.01541	1.5
206.05162	1.9
206.07030	27.0
207.05426	7.0
211.04590	1.1
217.01967	9.5
217.03854	1.1
219.01790	2.9
221.05118	3.2
224.02586	2.3
224.08066	33.5
231.03554	1.6
235.02945	6.3
237.02878	2.8
245.05063	1.9
248.08028	1.7
259.06735	8.4
277.04089	6.5
277.07629	4.6
291.16074	1.1
294.96280	1.2
295.06262	1.1
301.14355	16.7
302.12744	1.7
319.10257	10.8
319.15433	100.0
337.07742	1.7
337.12134	1.6
337.16486	11.8
342.16882	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01879	4.7
57.03412	5.6
58.45508	2.6
61.02932	10.4
62.26123	2.6
67.05521	3.3
69.03433	19.5
70.06601	41.0
71.58746	3.9
73.02933	4.9
79.27960	2.2
81.03411	7.4
81.07035	3.7
83.06119	2.4
84.04509	7.2
84.08160	5.3
85.02912	100.0
86.09708	31.9
87.05597	4.4
91.03957	4.2
91.05494	4.6
93.07058	7.4
94.37128	2.3
95.04989	3.2
96.28019	2.3
97.02901	25.9
97.58521	2.6
97.94611	2.4
98.06028	2.7
99.04489	5.2
103.03934	4.0
103.05471	3.1
105.07060	3.3
107.04960	12.2
109.02898	8.3
110.07169	12.0
111.08089	3.0
121.06522	73.3
125.07184	2.5
127.03949	22.8
130.06560	3.1
138.05496	21.2
138.09135	2.8
143.11783	14.7
145.04967	33.6
152.72948	2.7
156.06546	6.2
156.08031	31.6
156.10211	7.9
159.08041	5.8
163.06020	5.1
166.05049	3.7
171.11473	2.8
180.08710	5.4
187.07573	18.5
188.67900	2.6
205.08603	8.3
229.08653	4.4
232.97224	2.7
247.09680	5.3
253.12926	3.4
266.83154	3.2
273.53366	2.6
288.10681	3.9
300.10608	6.0
301.11627	4.1
318.11868	7.7
318.15466	3.3
318.21600	7.7
318.30203	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	319.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43939	5.0
62.55063	5.2
66.75018	5.2
67.10575	5.5
70.04462	23.7
83.97523	5.0
86.52635	6.1
98.97628	7.7
101.00813	7.0
112.89618	64.3
114.89313	10.6
151.11154	8.4
158.99692	6.1
272.57529	6.7
319.10577	100.0
319.13715	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	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01875	0.6
55.05511	0.7
55.97180	0.5
57.03426	1.8
60.04525	1.6
67.05497	1.0
69.03439	2.8
69.07066	0.9
70.06599	5.2
71.04986	2.3
71.58740	0.6
72.04523	0.7
72.08174	3.6
75.14334	0.5
81.03424	15.4
81.07073	0.8
83.05013	0.5
84.08157	0.8
85.02917	6.2
86.09712	100.0
91.05502	1.5
92.05782	0.5
93.07030	0.8
95.04986	0.9
97.02896	1.7
99.04471	4.5
100.07620	2.3
105.07086	0.5
109.02887	12.6
112.07639	1.0
113.05902	0.6
114.05558	1.4
118.82497	0.6
120.08069	0.6
121.06524	4.8
127.03929	19.9
128.10730	47.6
131.08569	0.6
132.10205	5.6
133.06444	0.4
134.49800	0.5
138.05479	3.0
156.06616	1.4
156.10214	12.5
159.11331	1.3
174.11333	3.1
178.32430	0.6
219.13443	0.8
237.09128	0.7
256.72610	0.6
258.09708	1.0
258.13522	0.8
259.16431	0.6
288.10568	1.2
291.05106	0.6
300.10791	1.9
300.14566	3.6
301.11639	1.3
318.11816	5.6
318.15439	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19436	0.7
53.03936	1.8
55.01877	0.8
57.03423	2.2
60.04519	2.2
67.05541	0.9
69.03422	3.5
69.07074	10.6
69.76189	3.2
69.76618	2.0
70.06583	2.9
71.04986	1.8
72.04498	2.0
79.59093	0.8
81.03426	12.0
82.03779	0.8
85.02905	5.9
86.09711	100.0
92.42420	0.8
97.02885	1.8
97.05244	1.0
98.20744	1.6
99.04449	4.7
101.74573	0.8
109.02878	8.8
110.06055	1.0
117.97278	0.7
121.06527	1.8
126.09181	1.7
127.03071	1.6
127.03926	15.3
128.10728	76.5
132.10182	2.7
138.05521	1.3
138.09119	3.2
151.14342	0.8
156.06702	0.9
156.10214	25.9
173.12837	1.0
174.11244	3.6
199.00063	0.8
241.09395	0.8
254.10060	1.9
300.14288	2.1
318.11743	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
57.03452	1.0
60.04523	1.8
61.73685	0.7
67.26244	0.8
69.03435	2.7
69.07082	6.3
69.23660	7.3
69.24058	1.4
70.06606	2.2
71.04993	2.3
72.08158	2.7
72.48177	0.6
81.03416	12.2
85.02921	4.4
86.09711	100.0
91.33180	0.8
93.67568	0.8
97.02882	1.5
98.21542	1.6
99.04481	4.4
107.04974	2.2
109.02888	11.2
109.81010	0.7
109.86335	0.8
127.03923	16.8
128.10725	66.0
132.10211	3.9
132.42444	0.8
134.23352	0.7
138.05441	1.0
156.10191	12.2
159.11319	3.7
166.05061	1.6
166.66113	0.8
173.12915	0.8
174.11340	2.7
251.39369	0.8
283.09637	1.0
286.92383	0.7
300.14566	2.2
301.11896	1.3
318.09808	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	318.0586
Annotation	Plakortamine A
Peak:m/z	Relative Intensity
53.56145	5.3
53.97782	4.5
54.95280	4.7
56.96558	9.7
62.89024	4.6
69.03416	6.4
71.57798	5.6
72.96308	6.3
85.02901	7.1
97.02892	7.6
98.97578	8.3
112.89619	58.5
114.89355	8.9
126.95861	4.9
135.56653	4.7
150.99519	5.0
156.03581	16.1
193.18849	6.3
198.52274	5.3
228.05658	6.8
293.05450	6.4
295.11856	5.5
318.05911	100.0
318.09366	13.7
319.10168	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	318.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01869	2.1
55.05502	2.9
56.05036	62.1
60.26955	1.9
61.01155	61.7
68.05037	11.0
69.03437	29.2
70.06585	7.2
71.04990	3.1
71.57825	3.0
72.08126	2.0
73.02940	2.0
81.03422	28.7
84.04504	3.9
84.08126	1.9
85.02901	9.2
86.09692	4.1
97.02890	5.8
98.06064	92.5
99.04446	8.5
101.04252	2.6
102.05537	3.6
104.05337	100.0
107.04941	4.7
109.02894	22.8
110.05994	2.4
113.55179	1.7
121.02888	1.8
127.03934	18.5
129.03647	3.3
138.05496	17.9
138.10251	2.5
139.03885	4.0
144.06564	36.7
146.06357	64.2
150.05779	4.4
156.06549	7.0
156.08064	27.9
156.10181	2.8
157.03180	6.7
165.54140	2.0
173.04518	2.3
174.05843	18.0
181.13969	1.8
204.06084	2.0
245.51294	1.9
252.08620	3.9
270.09717	15.1
293.55527	2.2
300.09024	12.1
318.09531	17.9
318.29855	2.9
319.12912	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	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.99313	1.3
53.03955	2.3
55.01880	1.5
55.05499	5.7
56.96560	4.0
57.03445	1.7
57.07068	2.1
61.02919	1.6
67.05515	13.3
69.03424	9.4
69.07077	12.8
70.06577	4.4
71.04993	4.2
71.59177	2.0
72.08157	2.6
73.02926	1.5
75.84934	1.2
76.06268	1.2
79.05499	11.3
81.03426	13.4
81.07058	13.3
83.04979	4.1
83.08624	2.6
84.04510	3.0
84.08130	3.0
85.02906	5.3
85.06524	1.4
86.09709	5.7
87.10058	1.4
91.05479	12.5
91.74957	1.2
93.07057	9.0
95.04977	27.4
95.08630	11.3
96.06883	2.8
97.02922	3.5
97.06528	5.4
98.97609	3.3
99.04472	4.1
105.07033	18.5
105.65514	1.5
107.04942	5.4
107.08575	9.5
109.02871	2.2
109.06542	3.4
109.10165	9.9
111.04434	2.3
111.08076	2.2
113.06059	1.6
115.05456	1.3
115.27841	1.3
116.07050	1.6
116.98637	2.1
117.07056	3.7
118.11217	1.3
119.04965	1.8
119.08598	10.3
121.06495	6.7
121.10135	6.6
123.05575	1.5
123.08099	2.8
123.11697	1.9
125.06136	1.7
125.07114	11.7
127.03940	4.0
128.06293	2.4
129.07019	6.2
131.08583	13.2
133.06512	3.9
133.10168	11.0
135.08069	3.7
135.11739	1.6
137.05975	2.6
137.09636	3.5
138.05513	4.7
140.07123	1.5
141.07001	3.5
142.07791	2.5
143.08601	8.6
145.06516	3.6
145.10123	12.6
146.99641	1.7
147.08022	3.7
147.11705	4.0
149.09627	2.7
151.07573	3.3
153.06667	2.6
155.06871	10.5
155.08521	6.7
155.10605	2.5
157.10165	8.8
159.08049	2.8
159.11696	7.6
161.09673	3.2
161.13251	3.1
165.06911	1.5
165.09103	2.1
167.08609	2.3
169.10121	7.0
171.07741	6.1
171.11723	5.9
173.09662	3.8
173.13271	5.4
175.11156	1.7
175.14821	2.8
177.09146	1.6
181.10179	3.6
182.10924	2.6
183.11652	6.6
185.04213	9.6
185.13330	7.8
187.11230	3.0
187.14876	5.6
193.10162	1.6
195.11703	3.7
197.13303	4.6
198.07953	2.1
199.08702	1.4
199.11208	2.3
199.14833	2.4
201.12828	2.6
201.16415	2.0
203.05309	5.6
203.14409	3.1
205.15881	2.3
207.11746	3.7
209.13274	2.4
211.11162	1.5
211.14873	3.7
213.12785	2.8
213.16374	2.9
215.14357	2.0
217.12619	1.6
217.15746	1.6
223.06361	1.3
225.10423	1.9
225.12772	2.8
227.14241	1.9
229.04955	3.2
229.15886	3.0
237.02898	3.3
239.03406	10.2
239.14258	1.4
243.11409	2.1
243.13765	1.9
243.21159	1.6
251.17944	1.4
253.09818	4.0
253.19588	5.9
255.17683	1.8
257.18997	2.4
263.17975	2.6
267.02951	3.3
269.18869	2.1
271.10883	4.3
271.20621	4.9
275.05515	1.7
281.19016	11.9
285.04007	7.9
287.10202	10.6
287.20361	1.8
289.11835	2.2
299.05527	1.7
299.10327	13.3
299.20108	18.6
302.04236	2.3
317.11993	100.0
317.14886	4.1
317.21115	56.6
318.12161	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	317.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
55.01876	0.3
55.05497	0.5
55.72676	0.3
56.96540	0.3
65.03922	0.3
67.05505	2.2
68.99786	1.0
69.03417	0.5
69.07072	0.5
71.58739	0.5
77.98136	0.3
79.05501	0.7
81.03430	0.3
81.07066	0.8
82.02959	0.5
87.81821	0.3
91.05510	0.4
93.07050	0.4
93.71223	0.3
94.06565	3.4
95.04993	1.5
95.08613	0.9
97.06509	0.4
103.05473	3.0
105.07040	1.1
107.08589	0.6
109.10140	0.3
112.07610	0.4
115.48887	0.3
118.06534	0.3
119.08598	0.4
121.02880	7.0
121.06521	0.3
121.10188	0.4
122.06047	6.6
128.06204	0.4
129.06998	0.7
130.06540	0.3
131.04938	16.7
131.08562	0.5
133.10127	0.6
134.06027	0.6
135.06818	0.5
135.11693	0.3
136.07593	2.5
138.03108	0.5
140.07063	1.4
143.08510	0.4
144.08099	0.5
145.06476	0.6
145.08923	0.3
145.10086	0.5
146.06006	0.5
148.07567	0.5
150.05495	3.5
153.01802	0.4
153.07047	0.9
154.06543	0.3
155.03699	0.6
155.04913	6.1
155.05962	0.4
155.07069	0.9
155.08481	0.5
156.08188	0.3
157.10222	0.4
159.09230	0.4
160.07629	0.7
163.03915	1.7
164.07097	0.3
166.02605	0.4
167.07283	0.4
168.06567	2.5
168.08011	0.7
169.08830	0.4
170.06027	0.4
170.09680	1.3
171.09151	0.6
171.11702	0.3
172.07587	2.1
172.09900	0.4
172.11276	0.3
173.08466	0.6
173.10747	0.8
174.11612	0.5
181.04968	14.6
182.02017	0.4
182.08174	2.5
182.09625	0.5
183.06807	0.6
183.09109	0.6
184.03801	0.4
184.07666	0.8
184.09840	0.5
184.11237	0.8
185.10733	5.0
186.09230	0.7
187.07477	1.6
187.12329	2.1
188.09364	0.6
188.12740	0.3
189.10213	0.4
196.07605	1.6
196.09732	0.5
196.11365	0.5
197.04463	4.4
197.08409	0.9
197.10751	1.2
198.09221	6.4
198.11133	0.5
199.08614	2.6
199.12328	2.6
200.03181	0.8
200.09344	0.9
200.10919	0.6
200.13132	0.7
201.10240	7.2
201.13916	1.0
202.14734	0.3
209.06013	1.7
211.08437	0.5
211.10196	0.7
211.12149	0.5
212.07657	0.3
212.10901	3.7
213.06836	0.4
213.10219	9.4
213.13794	0.7
214.07436	1.0
214.10820	1.9
215.07082	0.9
215.11816	6.1
216.10258	0.4
218.08138	0.9
222.09119	0.6
223.08661	1.0
224.07220	0.5
224.09317	0.4
225.08025	0.4
225.10229	5.9
226.08623	1.2
226.10986	0.9
227.08171	6.1
227.11720	3.1
228.08926	0.9
228.12531	2.7
229.09836	4.4
229.13345	2.6
230.14128	0.7
239.09552	0.6
239.11792	1.9
240.10187	1.3
240.12450	0.4
241.09746	13.1
241.13417	4.5
242.08275	0.8
242.10504	19.5
243.11307	7.3
244.09775	0.5
244.11923	1.6
245.13068	0.5
247.10808	0.5
253.04996	1.1
253.36003	0.3
255.11292	2.3
256.09891	0.8
256.12088	16.5
257.08630	1.8
257.10651	0.7
257.12863	14.5
258.11206	2.7
258.13684	3.5
259.10541	0.5
267.11285	1.8
269.09241	0.8
271.12213	2.3
271.14743	0.6
272.12659	1.6
273.12473	0.4
274.13135	0.8
281.12845	0.4
284.11566	6.9
285.07547	1.2
285.12363	3.3
286.13098	0.7
287.10245	3.4
289.15445	6.0
299.13898	1.2
299.19998	0.5
300.12439	0.5
301.11761	0.6
302.12595	5.2
317.14984	100.0
318.15359	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	317.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
60.88584	0.3
67.05498	2.4
71.00830	0.5
71.51029	0.3
79.05492	0.8
81.07036	0.5
83.04979	0.5
91.05518	0.3
91.95989	0.3
92.04975	0.3
92.30630	0.3
94.06573	3.5
95.04966	1.6
97.06559	0.3
106.06563	0.6
107.07365	0.4
108.08143	0.6
109.10139	0.4
110.06009	0.3
112.07590	0.3
119.08606	0.3
120.01872	0.3
122.06036	6.8
134.05927	0.3
135.06807	0.9
135.07919	0.4
136.07584	2.7
140.07080	1.2
141.07031	0.3
143.08475	0.3
144.08089	1.0
148.07573	0.3
150.05525	3.6
150.09126	0.4
152.07031	0.4
155.07335	0.4
155.08531	0.3
156.08102	0.5
158.06030	0.5
158.09653	0.3
160.07576	0.7
164.07022	0.5
168.06584	1.8
168.08066	0.8
170.09663	1.6
171.10484	0.4
172.07552	1.5
172.11217	0.5
174.09187	0.5
180.08046	0.3
182.08138	2.0
182.09604	0.5
183.09064	0.5
184.07599	0.6
184.11247	1.0
185.10735	4.3
186.09201	1.0
186.11464	0.5
187.08653	0.4
187.12355	1.7
196.07603	1.0
196.09744	0.4
197.04434	0.6
197.08430	1.2
197.10620	1.4
198.07646	0.6
198.09206	7.1
199.08574	3.1
199.12315	3.0
200.09375	0.8
200.11031	0.5
200.13101	1.0
201.10251	7.6
201.13904	1.0
202.14583	0.6
210.09250	0.6
211.08289	1.6
211.10150	0.9
211.11862	0.3
212.10841	4.7
213.07005	0.5
213.10205	11.1
213.13759	0.6
214.07449	0.9
214.10785	2.0
215.08078	0.3
215.11797	5.9
218.08165	0.9
222.09222	0.6
223.08667	1.0
224.07184	0.6
224.10872	0.3
225.08014	0.4
225.10211	5.8
226.08612	1.3
226.11003	1.0
227.08165	5.9
227.11714	2.8
228.08914	1.4
228.12535	2.5
229.09760	4.3
229.13309	2.3
230.11911	0.5
230.14131	0.8
237.10339	0.3
239.09412	0.8
239.11841	2.0
240.10268	1.7
241.09740	13.1
241.13406	4.6
242.08305	0.8
242.10497	18.1
243.11298	7.9
243.14215	0.4
243.14812	0.4
244.09761	0.5
244.12068	1.3
247.10786	0.4
255.11325	2.6
256.12079	16.2
257.10489	0.9
257.12851	14.0
258.11240	3.3
258.13702	3.1
259.10977	1.0
267.11313	1.5
269.09177	0.7
270.10135	0.4
271.11533	0.3
271.14478	1.2
272.12790	1.1
274.13467	1.1
281.12863	0.4
284.11557	7.3
285.09531	0.4
285.12357	3.6
286.13104	0.4
287.10199	2.7
289.15512	5.6
299.13931	1.0
300.12195	0.7
302.04437	0.4
302.12650	5.0
317.14969	100.0
318.15338	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	317.1384
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
53.03936	1.0
55.01861	3.7
56.92056	1.1
59.86382	1.2
65.03939	2.8
67.05499	2.3
69.03425	3.8
69.71970	3.2
69.72375	3.0
70.06565	2.0
78.86733	1.0
79.05490	3.6
81.03416	1.4
81.07051	4.1
85.02886	2.3
86.09710	1.8
91.05483	31.5
93.07036	3.6
94.04179	3.4
95.04970	6.1
95.08596	2.5
97.02879	1.5
97.06522	2.1
101.65916	1.0
103.05470	4.5
105.07042	3.2
105.90530	1.1
107.04945	4.2
107.08620	2.0
109.02901	1.5
109.06522	4.1
109.10098	1.3
111.04524	1.4
115.05447	3.2
117.07014	1.4
119.04944	15.8
119.08597	2.7
121.06508	13.6
122.03657	8.3
123.04422	13.2
123.08120	1.4
123.40629	1.2
125.06048	1.3
128.06223	4.4
129.07001	17.0
131.04907	4.5
131.08534	2.5
135.04402	4.8
136.05173	2.0
137.05978	100.0
138.06303	1.2
139.11206	1.4
141.06984	1.9
145.06483	3.1
147.04405	16.9
147.08018	7.3
149.05984	27.7
149.09584	1.6
150.06741	3.6
151.03970	1.9
151.07552	62.5
152.06229	2.5
153.07004	2.9
155.08572	3.3
157.06497	11.2
160.05212	1.8
161.05998	5.0
163.07542	3.7
165.07013	12.9
165.09186	1.9
167.08580	6.9
169.06485	2.3
175.07544	36.1
175.09013	2.1
177.06987	1.5
177.09042	1.5
178.07785	5.4
181.06519	2.5
182.07237	3.2
183.08078	4.5
189.09195	2.2
193.06499	9.0
193.08542	2.4
193.10185	4.9
194.07263	1.7
195.08075	10.9
196.05132	1.3
197.05975	4.6
198.08012	1.5
203.08565	3.1
206.07303	1.5
206.60997	1.0
210.06737	8.0
211.07527	9.7
212.08356	1.2
213.09050	6.5
215.01904	2.9
221.06036	11.1
221.09541	7.3
223.07510	4.0
224.08441	1.3
225.05603	1.8
225.08986	5.9
227.07054	1.8
227.10701	3.5
237.09206	1.2
238.06305	3.2
239.03444	1.3
239.07001	11.1
239.10686	2.5
240.07697	1.5
241.08444	5.9
249.09097	5.0
253.08397	8.4
253.12177	7.6
255.06653	1.6
255.10258	2.0
256.07291	1.8
258.08890	4.8
267.03036	1.3
267.10129	2.0
270.09012	2.4
271.09647	32.3
273.11227	15.2
281.11710	4.2
287.10062	5.2
299.10184	2.5
299.12933	14.7
299.20193	2.2
317.07831	1.3
317.10767	6.5
317.14142	3.9
317.21204	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	317.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01861	3.7
56.92056	1.1
59.86382	1.2
65.03939	2.8
67.05499	2.3
69.03425	3.8
69.71970	3.2
69.72375	3.0
70.06565	2.0
78.86733	1.0
79.05490	3.6
81.03416	1.4
81.07051	4.1
85.02886	2.3
86.09710	1.8
91.05483	31.5
93.07036	3.6
94.04179	3.4
95.04970	6.1
95.08596	2.5
97.02879	1.5
97.06522	2.1
101.65916	1.0
103.05470	4.5
105.07042	3.2
105.90530	1.1
107.04945	4.2
107.08620	2.0
109.02901	1.5
109.06522	4.1
109.10098	1.3
111.04524	1.4
115.05447	3.2
117.07014	1.4
119.04944	15.8
119.08597	2.7
121.06508	13.6
122.03657	8.3
123.04422	13.2
123.08120	1.4
123.40629	1.2
125.06048	1.3
128.06223	4.4
129.07001	17.0
131.04907	4.5
131.08534	2.5
135.04402	4.8
136.05173	2.0
137.05978	100.0
138.06303	1.2
139.11206	1.4
141.06984	1.9
145.06483	3.1
147.04405	16.9
147.08018	7.3
149.05984	27.7
149.09584	1.6
150.06741	3.6
151.03970	1.9
151.07552	62.5
152.06229	2.5
153.07004	2.9
155.08572	3.3
157.06497	11.2
160.05212	1.8
161.05998	5.0
163.07542	3.7
165.07013	12.9
165.09186	1.9
167.08580	6.9
169.06485	2.3
175.07544	36.1
175.09013	2.1
177.06987	1.5
177.09042	1.5
178.07785	5.4
181.06519	2.5
182.07237	3.2
183.08078	4.5
189.09195	2.2
193.06499	9.0
193.08542	2.4
193.10185	4.9
194.07263	1.7
195.08075	10.9
196.05132	1.3
197.05975	4.6
198.08012	1.5
203.08565	3.1
206.07303	1.5
206.60997	1.0
210.06737	8.0
211.07527	9.7
212.08356	1.2
213.09050	6.5
215.01904	2.9
221.06036	11.1
221.09541	7.3
223.07510	4.0
224.08441	1.3
225.05603	1.8
225.08986	5.9
227.07054	1.8
227.10701	3.5
237.09206	1.2
238.06305	3.2
239.03444	1.3
239.07001	11.1
239.10686	2.5
240.07697	1.5
241.08444	5.9
249.09097	5.0
253.08397	8.4
253.12177	7.6
255.06653	1.6
255.10258	2.0
256.07291	1.8
258.08890	4.8
267.03036	1.3
267.10129	2.0
270.09012	2.4
271.09647	32.3
273.11227	15.2
281.11710	4.2
287.10062	5.2
299.10184	2.5
299.12933	14.7
299.20193	2.2
317.07831	1.3
317.10767	6.5
317.14142	3.9
317.21204	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	317.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.5
53.03943	2.9
55.05527	6.7
56.05038	6.6
56.38532	1.4
56.96567	2.4
57.03442	35.9
57.07076	15.6
58.06590	1.5
58.07410	1.4
60.04528	28.4
61.04855	3.7
67.05510	22.3
68.99815	1.4
69.03436	3.9
69.06718	2.1
69.07074	25.4
69.32843	2.0
69.33246	11.7
70.06601	6.3
71.08641	7.0
74.06093	14.1
75.06405	1.7
79.05506	10.0
81.07067	27.5
83.04984	3.6
83.08612	5.3
85.02915	5.8
85.10191	1.9
88.07635	38.1
88.08148	2.6
88.09436	1.5
89.07973	5.8
91.05486	14.4
93.07045	17.8
95.04983	5.7
95.08613	35.2
97.02872	2.6
97.06536	6.6
102.05540	2.1
103.05469	26.5
104.99734	3.3
105.03395	5.1
105.07040	20.1
106.08666	13.9
107.08589	15.2
109.06504	4.9
109.10158	31.4
111.04414	8.6
111.08092	1.7
113.02357	7.0
116.07126	1.3
117.05515	4.4
117.07044	5.1
118.64706	1.5
119.08592	28.9
120.06578	1.9
121.06532	4.5
121.10171	12.9
123.08061	5.5
123.11707	9.2
125.02381	3.2
128.06230	3.5
129.07011	26.0
131.04938	100.0
131.08588	8.4
132.05307	1.3
133.06459	1.9
133.10129	15.6
135.08073	3.5
135.11710	5.2
137.06067	1.4
137.09615	13.5
137.13258	8.7
139.07574	2.9
141.06999	3.4
143.08594	5.2
145.06468	2.5
145.10127	11.2
147.08040	5.1
147.11707	8.0
149.13219	2.8
151.11172	7.0
153.01843	13.4
153.09143	1.6
154.94092	2.7
155.08495	2.4
155.21831	1.2
156.09319	2.1
157.03481	1.2
157.06520	6.9
157.10086	6.9
159.08122	2.8
159.11691	10.2
161.09625	9.3
161.13249	8.0
163.07570	1.8
165.09126	3.9
166.99803	9.8
169.06520	5.5
169.10172	2.5
171.02893	34.4
171.11705	4.4
172.95300	5.8
173.06000	2.3
173.09668	3.4
173.13290	6.7
175.07553	1.4
175.11177	2.0
175.14870	2.5
181.01334	30.0
181.12251	2.2
183.11708	3.6
185.00829	4.8
185.13420	3.1
187.11183	2.1
187.14960	2.9
189.12764	4.1
189.16411	2.6
190.96268	2.5
197.06007	11.5
197.13304	5.2
199.02380	22.8
199.07558	1.4
199.11331	1.8
199.14836	1.8
201.12793	3.9
201.16310	3.3
203.10672	2.7
205.12259	2.5
205.15971	1.6
211.14915	1.9
213.16440	2.9
215.14268	3.9
215.17958	3.2
216.18555	1.5
217.12267	5.2
225.05466	2.0
225.12807	2.5
229.12256	2.4
229.19467	2.5
231.05002	25.6
231.13795	4.9
233.15601	1.6
235.13428	2.0
239.18079	3.5
243.06592	5.2
243.13887	6.6
245.98686	1.5
253.05070	1.5
253.19669	3.3
257.08093	26.5
257.10638	2.5
257.19174	3.1
261.14859	5.3
270.28024	2.3
271.06128	3.8
271.20673	4.1
271.28296	5.8
275.09073	12.1
275.20084	7.9
281.18976	3.9
281.26770	1.6
285.07684	2.8
298.98853	1.6
299.20056	13.6
299.27844	2.3
302.04413	2.5
316.28488	12.8
316.32123	26.2
316.99487	2.4
317.06552	3.5
317.10278	7.9
317.17767	8.0
317.21136	39.0
317.24866	2.2
317.28802	50.9
317.32483	24.9
335.18860	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	317.102
Annotation	5,4'-Dihydroxy-6,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.01856	0.5
55.05510	0.4
59.07535	0.2
60.34579	0.2
65.03909	0.6
67.05493	0.5
68.47538	0.2
68.99435	0.3
68.99787	3.7
69.03425	0.4
70.04194	0.3
79.05470	0.3
81.03403	0.9
84.02113	1.0
84.69648	0.3
91.05475	2.0
95.04949	1.1
97.02850	0.4
98.03685	0.5
104.64804	0.2
107.04951	0.6
107.08586	0.3
108.02060	0.4
109.02872	0.7
111.04433	1.1
118.63754	0.2
119.04951	3.6
121.10131	0.3
123.04420	0.9
125.02347	0.4
126.03133	0.7
127.03906	0.5
131.04948	0.3
133.10107	0.4
136.01520	0.4
137.02303	0.5
139.00197	0.5
139.03847	0.2
147.04420	7.2
151.03899	0.4
153.01779	0.3
154.02632	2.7
157.04973	1.0
164.01006	0.3
164.22672	0.3
165.04237	0.3
166.99815	0.4
169.04948	0.8
182.02106	13.8
183.11618	0.2
185.00836	0.6
197.04462	100.0
198.04706	1.1
200.03168	14.9
289.18222	0.3
317.10223	33.1
317.21310	0.8
318.10477	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	317.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31120	13.2
54.08440	12.7
56.96563	24.3
59.05043	13.6
65.12763	12.7
65.64597	12.1
69.03412	19.3
70.06581	36.8
71.04961	12.7
71.36820	26.9
72.18532	13.0
81.03384	18.9
81.07061	31.2
83.06090	19.1
84.04498	33.5
84.08120	32.6
85.02903	37.1
86.09711	100.0
95.04952	16.5
97.02884	40.4
98.97576	36.2
109.02877	14.9
109.06515	15.1
113.07067	15.8
116.07033	13.8
127.03932	26.6
129.10326	15.4
132.10196	26.8
137.05945	30.1
141.06532	14.4
179.07053	15.6
189.00613	13.5
189.12354	19.4
191.05815	15.0
191.07564	16.7
191.18507	14.2
206.01274	13.3
215.07727	15.9
223.87393	13.7
237.02750	21.3
257.51199	13.9
299.17032	27.2
317.09763	86.6
317.12405	46.0
317.21182	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.05518	4.6
56.05042	3.6
56.51941	0.3
57.03451	0.9
57.07078	1.6
60.04530	100.0
65.03951	0.4
67.05509	9.1
68.05046	0.6
69.07075	5.7
70.06599	0.8
71.03774	0.5
71.04094	0.6
71.08631	0.6
72.04524	1.8
74.06082	2.8
78.58639	0.5
79.05504	4.4
80.05031	1.0
81.03410	0.5
81.07058	7.1
82.06607	1.5
83.04988	0.6
83.08627	3.8
85.10205	0.5
86.06040	0.7
90.05568	1.2
91.05501	2.3
93.07053	3.0
94.06596	0.5
95.04977	0.5
95.07307	0.6
95.08616	7.6
95.09171	0.7
96.08144	0.5
97.06511	0.4
97.10167	1.5
100.07610	0.9
102.05586	0.5
105.07035	1.3
107.08599	2.4
109.06502	0.5
109.10179	3.4
110.09666	0.5
111.08131	0.8
112.07562	0.6
119.08598	1.3
121.10152	1.9
123.08104	0.5
123.11727	1.0
133.10139	0.8
135.11723	1.0
137.13272	0.5
156.17459	0.5
197.28473	0.3
211.05219	0.4
233.50366	0.4
234.22136	0.4
236.85164	0.4
237.21916	0.4
250.25359	1.2
262.25317	1.8
268.26373	0.6
280.26361	11.9
280.29309	0.9
298.27420	11.3
316.28470	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	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03951	0.5
53.89841	0.4
55.05518	4.5
56.05041	4.0
57.03448	0.8
57.07077	1.5
60.04532	100.0
64.87266	0.3
67.05168	0.6
67.05509	8.5
69.07069	5.2
70.06615	1.0
70.93586	0.3
70.93900	0.7
71.08640	0.8
72.04521	2.4
74.06091	2.1
79.05495	3.4
80.05024	0.8
81.03429	0.6
81.07069	7.4
82.06591	0.9
83.04987	0.6
83.08631	2.8
84.08155	0.5
86.06078	1.0
90.05576	1.3
91.05487	2.3
93.07053	2.7
94.06589	0.7
95.04969	0.8
95.08613	7.3
96.08138	0.6
97.06543	0.5
97.10186	2.1
98.06059	0.4
105.07043	1.0
107.08592	1.5
108.08099	0.5
109.10164	2.9
112.07584	0.9
116.07100	0.4
119.08594	1.3
121.10160	1.6
123.11716	1.3
125.09615	0.4
126.09198	0.4
131.02132	0.3
133.10153	1.0
135.11731	0.9
147.11687	0.4
190.08272	0.4
210.44102	0.4
217.59357	0.4
245.22554	0.4
250.25290	1.1
252.26918	0.4
260.59378	0.3
262.25299	1.5
263.23801	0.5
268.26584	0.4
280.26376	12.5
298.27426	14.4
316.28497	37.5
317.28680	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	315.134
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
50.87689	0.7
52.06208	0.7
53.03948	1.8
64.13615	0.7
65.03939	1.0
67.05499	2.3
69.03425	1.4
69.07063	0.8
69.79447	0.8
70.06599	1.2
71.20776	1.3
76.04299	0.8
78.04715	1.3
79.05515	5.4
81.03422	1.3
89.03895	1.1
91.05472	4.0
91.32857	0.7
92.06264	2.6
93.07042	1.5
94.06573	7.7
95.04972	2.1
95.08612	1.3
96.04486	0.8
96.08118	2.6
103.05443	1.1
104.04996	9.8
105.05799	1.2
105.07040	1.0
106.06567	3.6
106.96166	0.7
107.07351	1.3
108.08193	0.9
116.04945	0.8
117.03422	0.7
117.05768	1.0
118.06563	5.1
119.07333	5.3
119.08559	1.0
120.05691	1.8
120.08112	2.7
121.06464	1.0
121.08961	0.8
122.06038	5.9
122.09618	1.7
123.04432	0.9
123.06841	0.8
124.03963	1.7
124.07610	12.2
125.09554	0.8
127.03896	0.8
131.08607	1.0
131.71983	0.8
134.05981	1.0
135.04390	1.9
136.07587	2.0
138.05505	2.8
145.02846	1.6
146.06052	3.6
147.06790	10.5
148.03888	0.8
148.07556	2.5
150.05511	4.1
150.09160	0.9
152.07129	4.5
160.07542	0.8
162.05515	2.7
163.03905	4.3
164.07080	4.1
166.08624	3.4
168.06587	20.8
170.09706	0.8
171.09222	1.3
171.13260	0.8
177.05400	1.2
178.05782	1.1
180.06567	17.3
182.09673	1.7
184.09872	1.2
184.11337	1.5
185.10693	1.3
186.11560	1.1
192.06569	38.5
192.10220	3.0
193.07339	5.0
194.08151	9.3
197.05978	1.0
198.09248	1.6
199.08669	1.2
199.12321	3.7
210.09238	1.7
211.09995	1.1
212.09341	1.4
212.11050	0.9
213.10242	11.9
213.88269	0.9
214.11124	1.6
215.11792	1.0
225.10201	1.1
227.11839	8.6
228.12585	3.3
238.08627	0.9
240.08923	1.2
241.09752	33.8
242.10396	2.1
243.11334	1.7
244.13315	2.2
245.12874	1.1
252.12590	1.8
254.10620	1.4
255.06686	0.9
255.11292	14.1
256.12164	2.7
259.14346	3.6
269.12808	2.3
270.11237	2.9
273.12329	8.8
283.09769	0.9
285.12463	1.0
287.13959	11.0
297.04077	0.8
297.12329	2.4
298.10730	1.5
299.10297	4.4
300.06027	0.9
300.11066	28.7
315.13400	100.0
316.13733	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	316.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.5
56.05036	1.4
57.03431	1.1
60.04511	1.7
62.06085	2.7
67.05513	4.2
69.07056	1.2
69.21588	0.5
70.02947	1.1
70.06580	1.4
71.08638	15.8
71.59767	1.0
71.88508	0.5
72.08151	2.6
72.93552	0.5
77.44199	0.6
78.61758	0.5
79.05482	1.2
81.07075	3.6
83.04977	0.6
84.04503	2.5
84.08170	1.2
85.02911	9.0
86.06077	2.8
86.09703	1.2
87.76414	0.5
88.04004	0.5
91.05482	1.2
93.07055	4.7
94.06564	0.9
95.07343	0.7
95.08617	22.3
96.08137	3.6
96.08672	0.6
97.06541	1.3
98.09709	5.7
99.08096	5.9
100.07631	0.9
103.03963	0.7
105.06998	0.8
107.08581	1.1
108.08150	3.3
110.09695	3.3
111.08106	1.4
116.10742	25.9
121.06532	2.7
121.08927	0.6
121.10177	0.8
122.09689	6.6
123.08088	1.2
126.09171	1.0
128.07088	0.7
133.10127	1.2
136.11234	1.7
140.10693	1.1
141.11487	0.5
142.12256	1.7
143.10684	24.5
147.08041	0.5
154.12311	1.1
154.15935	1.3
164.10715	1.0
166.15942	0.9
168.17401	0.7
182.08289	0.9
182.11836	3.6
196.17020	2.7
200.12834	100.0
201.13106	1.4
214.18039	44.4
215.18335	1.2
218.13893	13.0
223.20276	0.6
228.29320	0.7
241.44540	0.5
298.20142	11.5
316.21185	16.7
317.21011	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	315.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
56.96572	1.3
57.50350	0.9
69.03442	1.8
70.06604	2.5
71.05009	2.4
71.37659	1.9
72.08164	1.7
74.22783	0.9
79.05521	1.0
81.03422	1.0
81.07059	0.9
81.68582	0.9
84.08126	1.9
85.02911	4.4
86.09698	0.9
89.03939	0.9
91.05461	1.0
96.04503	1.0
97.02927	1.0
101.00906	1.7
111.04479	1.1
116.98676	1.1
119.01926	5.8
120.08177	1.1
127.03951	1.4
129.04036	1.6
131.01978	2.9
138.09135	0.9
139.05077	1.7
143.01921	1.9
143.05573	1.8
144.35533	0.9
145.07130	1.4
147.05176	0.9
153.05267	2.9
153.06505	1.6
155.01910	1.8
156.25064	0.9
159.05098	1.1
161.03030	2.7
169.06125	2.4
171.05081	1.5
173.03192	1.5
183.07745	1.3
187.08215	1.4
189.06128	2.7
193.06206	1.2
195.05112	1.1
195.07771	0.9
213.06111	7.8
223.07091	2.7
225.06120	2.4
231.07144	1.2
244.03081	0.9
251.06198	1.4
255.07303	1.1
297.06824	1.7
297.18536	1.1
299.85693	0.9
300.06064	0.8
315.10541	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	315.0864
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
51.49154	0.1
53.00327	0.1
53.03943	0.1
62.01603	0.1
63.02393	0.3
66.40387	0.1
67.05533	0.2
68.40871	0.1
68.78765	0.1
69.64749	0.8
70.95544	0.1
77.03967	0.2
79.05496	1.5
89.03922	7.6
91.05503	0.5
93.36130	0.1
95.04962	0.2
103.05476	0.2
105.03451	0.2
105.07005	0.3
107.04967	3.3
107.05684	0.2
115.05471	2.6
116.30267	0.2
117.03387	10.2
120.04449	0.7
123.04443	4.4
131.04955	0.4
131.56119	0.2
133.06516	0.4
135.04428	22.5
136.04767	0.2
137.02406	0.2
143.04938	3.3
145.02858	14.2
149.05940	0.2
153.05479	0.9
158.06036	0.2
158.86652	0.1
161.05998	8.2
163.03917	100.0
164.04247	1.2
167.03429	0.5
177.05492	0.2
186.05443	0.3
187.03946	0.3
195.02859	0.2
205.04970	2.3
205.06639	0.3
210.09154	0.2
213.03848	0.3
227.11853	0.7
240.08844	0.2
241.09752	0.9
251.07239	0.3
255.11333	2.2
269.07928	0.2
279.06656	0.3
283.10812	1.3
315.08624	1.2
315.13364	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	315.0864
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
53.03954	0.2
55.05506	0.3
63.02380	0.4
69.95184	0.2
70.84147	0.7
71.34872	0.2
79.05498	1.5
81.07063	0.3
89.03923	8.0
91.05467	0.7
93.07057	0.2
95.04964	0.5
101.60954	0.2
103.05531	0.2
105.07019	0.6
107.04969	2.9
109.10157	0.3
114.37640	0.2
115.05466	2.6
117.03393	11.1
123.04433	4.4
133.06548	0.4
135.04430	21.8
143.04944	3.3
144.48494	0.2
145.02855	13.8
149.05948	0.2
153.05455	0.9
161.05991	8.5
163.03914	100.0
164.04292	1.2
186.05528	0.3
187.03938	0.4
205.04993	2.5
211.07565	0.3
223.07616	0.3
233.06117	0.3
251.07063	0.4
274.86545	0.3
279.06534	0.6
297.07489	0.3
315.05334	0.3
315.08472	1.8
315.19620	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	314.139
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.02375	0.5
53.03940	1.4
55.01873	0.6
57.47937	0.4
59.01841	0.3
63.02369	0.5
70.06580	1.1
71.58897	0.4
72.08141	0.5
72.78918	0.3
77.03931	0.7
79.05486	0.6
81.03409	0.8
86.06020	0.5
86.09701	1.3
89.03918	5.7
91.05489	8.3
91.15409	0.3
92.05824	0.4
93.07052	10.9
95.04986	2.5
103.05485	9.0
105.04501	0.9
107.04943	1.6
109.02908	0.7
117.03391	20.7
119.19437	0.4
120.08089	2.8
121.06516	49.2
122.41160	0.4
123.08105	0.4
124.10123	0.4
134.03596	0.7
135.04454	1.8
136.05214	0.4
145.02856	51.8
148.93005	0.4
149.05991	6.1
151.03882	0.6
151.07545	0.8
152.18265	0.3
161.19066	0.4
163.03946	1.2
164.03415	0.6
176.60439	0.4
177.05482	100.0
178.05818	0.4
186.05583	1.5
194.08171	1.2
222.06432	0.7
224.07994	0.6
250.05905	0.5
252.07492	0.5
284.06375	0.5
296.06439	0.7
298.10727	0.8
314.07562	2.1
314.13940	25.7
314.17090	1.0
315.14337	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	314.1386
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.02380	0.4
51.62927	0.3
53.03945	1.8
55.01857	0.3
57.48654	0.3
62.06080	0.4
71.58895	0.3
77.03944	0.5
78.60237	0.2
79.05483	0.4
82.80956	0.3
86.06075	0.3
87.37502	0.3
89.03918	5.8
91.05484	9.0
93.07053	12.3
95.04980	3.0
102.04715	0.3
103.05479	9.4
105.04501	0.7
106.04177	0.4
114.23400	0.3
117.03387	20.2
119.04903	0.5
121.06512	57.0
134.03635	1.4
135.04419	1.7
136.05209	0.5
137.02298	0.3
145.02853	54.2
149.05988	6.4
152.07060	1.6
158.05916	0.3
162.03082	0.4
163.03918	1.8
177.05478	100.0
178.05809	0.9
186.05513	0.5
194.08180	1.3
198.11258	2.2
216.12337	0.7
220.09746	0.3
314.10574	1.2
314.13864	26.3
315.14346	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	314.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.30092	0.4
56.96559	5.0
57.03430	1.0
61.01135	0.8
61.02925	0.8
66.00105	0.4
67.01889	0.5
67.05491	0.9
69.03432	3.8
70.06593	7.4
70.40367	0.9
70.40728	0.9
71.04998	0.9
72.08161	0.5
73.02907	1.1
80.19222	0.4
81.03400	1.2
81.07062	0.6
84.08105	0.6
85.02899	5.6
86.06059	0.7
89.06033	0.9
93.07063	0.5
95.06089	3.4
97.02895	44.0
97.99160	0.4
98.20818	0.6
98.97590	9.6
99.04494	0.5
103.02194	0.5
108.08108	8.7
109.02866	0.8
110.97585	1.3
112.07584	0.9
112.08753	0.7
115.08690	1.1
116.07079	2.4
116.98630	6.5
119.01823	0.7
119.03564	0.9
121.06519	1.1
123.06818	0.6
124.07605	1.1
127.03920	1.6
128.98619	1.2
130.93204	0.4
134.06033	1.2
134.09666	2.4
134.99683	3.1
135.05423	0.7
135.06613	0.6
136.06190	100.0
137.04567	0.7
142.01727	0.7
143.01645	2.6
145.01700	0.5
145.04994	0.7
146.99678	1.0
148.06175	1.0
150.07762	1.7
152.07045	5.9
152.10712	4.7
153.00713	0.7
157.09692	0.6
158.99678	2.0
159.03252	1.1
160.02776	0.7
161.01300	0.8
161.02736	1.9
164.05704	5.6
172.94353	2.3
177.00722	1.6
178.07227	2.5
179.03723	2.5
185.08969	0.5
190.03682	0.5
190.95419	2.8
199.11925	1.4
202.03781	0.5
204.05420	0.9
208.96475	1.2
211.14417	2.4
214.95366	0.9
216.96886	0.6
217.13034	1.4
219.01776	1.3
220.08191	0.5
232.04922	0.5
232.96451	4.2
237.02934	1.4
246.97989	1.3
248.07768	0.7
250.97488	1.9
264.99124	0.9
270.21738	1.0
272.95926	0.6
278.07101	0.9
290.94696	1.8
290.97394	0.8
296.08102	3.8
296.11163	0.6
298.10971	0.5
309.08615	0.6
314.09097	5.9
314.12262	14.2
314.15771	0.8
314.18698	3.1
315.07581	1.9
323.36798	0.5
333.08453	0.6
337.08218	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.7
57.03441	22.8
57.07079	71.6
59.26873	0.7
67.05174	0.9
67.05508	14.4
69.07069	12.8
69.90804	3.5
71.04968	1.4
71.08635	48.8
75.04463	1.3
79.05502	1.7
81.07057	18.9
83.04964	0.8
83.08623	15.5
85.06511	1.3
85.10184	24.8
89.06033	4.1
91.05494	0.9
93.07035	2.1
95.08614	26.8
97.10181	9.1
99.11732	1.3
103.07597	2.4
107.08578	1.9
109.10162	12.8
111.11716	1.8
113.13258	1.2
117.09195	1.0
121.10135	1.4
123.11736	5.8
137.13258	2.5
221.22711	1.5
239.23705	4.6
257.24768	6.5
272.16129	1.0
275.26013	1.0
296.10245	0.8
313.27380	100.0
314.14038	0.9
314.27728	2.4
330.56079	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05307	0.9
55.05516	9.8
55.14651	0.8
57.03444	21.0
57.07081	61.4
67.05174	0.9
67.05511	13.9
69.07074	11.0
71.04974	1.4
71.08639	39.2
71.59176	0.7
73.36399	0.8
79.05479	2.7
81.07066	20.8
83.05009	0.8
83.08629	13.0
85.06517	1.0
85.10191	22.4
89.06047	3.5
91.05487	1.2
93.07049	2.8
95.08615	24.6
97.10187	6.2
103.07578	1.7
105.07008	1.0
107.08581	2.2
109.10175	13.0
111.08121	0.8
111.11737	2.2
117.09133	1.4
119.08591	1.5
121.10189	1.1
123.04417	1.0
123.11724	5.0
125.13222	1.1
133.10159	1.6
135.11665	1.0
137.13257	2.7
142.07819	0.9
146.96457	0.8
151.14839	1.3
165.16414	1.0
177.06915	0.8
185.13202	0.9
190.11305	0.7
206.06900	1.0
234.06337	1.2
236.07967	1.7
238.09450	1.3
239.23775	4.9
254.76741	1.0
257.24756	6.3
264.07504	1.2
266.08963	2.4
273.41904	0.7
296.09952	6.0
298.10770	1.1
313.27417	100.0
314.13831	1.8
314.27832	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.8
57.03440	19.8
57.07079	54.1
60.08162	0.8
67.05168	1.0
67.05505	12.7
69.06718	0.8
69.07070	10.5
69.33766	4.7
71.04988	0.7
71.08633	36.0
75.04495	0.8
78.38792	0.5
79.05486	1.1
81.06577	0.8
81.07058	15.3
83.08621	12.5
84.42645	0.5
85.10185	20.7
89.06044	3.2
91.05446	0.5
93.07067	0.9
95.08610	21.0
97.06563	0.7
97.10165	5.9
99.11732	1.1
101.05977	0.8
103.07564	2.3
104.82637	0.6
107.08567	0.8
109.10163	10.3
111.11705	1.5
113.13265	0.5
117.09178	0.9
121.10142	0.6
123.11694	4.2
125.13265	1.1
135.11688	0.8
137.13269	1.8
145.10039	0.8
151.07478	0.5
151.14868	0.7
153.11212	0.6
165.16411	0.7
165.17867	0.6
191.03564	0.6
206.97453	0.5
221.22757	0.6
239.23703	4.6
257.24710	5.4
296.09814	0.6
313.27380	100.0
313.36386	4.1
314.27725	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	313.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	12.1
55.01869	13.6
55.05513	51.4
57.03444	36.3
65.03933	4.2
65.53122	2.2
66.77848	1.8
67.05509	35.3
68.99792	3.8
69.03072	4.5
69.03433	80.6
69.07072	30.5
69.93636	12.0
71.04996	25.2
79.05501	29.4
81.03423	73.7
81.07059	45.1
82.04193	27.1
83.04987	56.2
83.08620	20.3
85.02911	34.9
85.06556	6.6
87.00829	5.6
91.05483	32.1
93.03410	2.6
93.07048	46.8
95.01315	3.5
95.04980	23.3
95.08610	48.6
97.02896	25.3
97.06536	17.5
98.20804	3.6
99.04450	6.5
99.08095	9.7
103.05473	4.2
105.07027	21.0
107.04948	11.7
107.08559	14.2
109.02884	9.1
109.05864	2.4
109.06498	12.1
109.10168	7.4
111.03172	2.5
111.04452	18.7
111.08083	92.6
113.02332	2.3
113.09667	16.8
115.03948	4.3
115.05455	4.1
117.03427	2.2
117.07027	15.1
118.06502	4.7
119.04922	3.8
119.08601	12.0
121.06518	14.6
121.10162	6.1
123.04408	11.0
123.08078	28.5
125.09608	4.6
126.05502	9.8
127.03921	5.0
127.07565	14.6
128.06174	2.1
129.07007	4.6
131.08549	4.7
133.06488	6.0
133.10190	3.0
135.08055	29.0
135.11703	4.2
137.02336	18.2
137.03363	2.9
137.06018	11.1
137.09607	9.8
139.07541	100.0
139.08617	5.0
139.11168	4.6
141.09108	69.1
143.08578	3.9
145.02814	5.1
145.10136	7.3
147.04396	5.3
147.08083	9.3
149.05927	3.3
149.09602	7.3
150.06688	2.2
151.03944	5.5
151.07550	53.8
153.09097	5.2
154.05055	12.5
155.10764	2.8
160.05261	3.1
161.09560	4.4
163.03989	5.2
163.11174	5.6
163.72520	2.7
165.09151	8.6
167.10643	3.6
173.09592	5.5
177.05528	3.1
177.07086	3.9
178.05890	5.3
179.10687	3.9
181.06522	4.1
181.12241	4.6
189.09097	6.1
191.10649	23.4
205.06549	7.2
207.10158	7.1
209.06023	4.6
209.11749	91.7
221.05969	11.8
223.07545	15.3
233.06123	5.2
239.03444	5.7
249.05435	12.0
251.06995	14.9
252.07762	13.3
267.06531	4.3
269.08057	13.4
269.14084	3.2
277.04984	6.3
280.07370	4.6
285.07547	4.5
295.06485	15.4
295.11749	81.6
298.08289	2.7
313.07031	15.1
313.10928	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	313.0708
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
55.01875	1.4
67.05482	1.2
70.79665	0.9
71.01379	1.0
71.58482	0.9
76.19777	0.8
79.05518	1.6
81.03414	2.8
81.07055	2.1
91.05479	1.9
93.07042	1.2
95.08620	1.9
105.07014	1.3
107.04980	0.9
107.08629	0.9
109.02863	4.3
109.06506	1.1
109.10106	0.8
113.05939	0.9
115.05466	0.7
117.03388	0.9
120.08108	3.3
121.08450	2.7
123.04415	2.5
131.04930	2.3
137.02328	4.8
137.06085	1.3
145.02902	0.8
151.03896	1.2
151.07536	1.1
152.06198	3.6
153.07013	2.2
155.08519	0.9
159.04433	1.9
160.05205	17.4
161.05978	3.0
163.03862	1.5
165.06998	7.1
166.07677	1.0
167.08560	3.4
175.03981	1.1
176.06226	6.8
177.05571	1.5
177.07013	12.9
178.05814	1.2
178.14201	0.8
181.06487	12.2
181.10458	0.9
193.06468	1.8
194.07295	1.3
195.08095	8.3
197.06007	2.3
199.07553	1.5
205.06505	47.5
209.09993	1.8
211.07602	2.1
221.05986	31.0
222.06654	1.2
223.07547	100.0
224.07907	2.3
225.10178	0.9
233.05984	25.0
234.06763	4.7
237.05530	2.0
239.03339	2.3
239.07092	3.5
249.05472	34.4
250.06265	2.8
251.07053	88.5
252.07301	1.6
253.04927	1.0
257.08395	0.8
267.06528	8.4
267.11176	1.0
268.07361	1.1
269.08093	42.5
277.04980	22.0
277.08066	1.0
285.07541	1.4
295.06036	57.7
296.06354	1.0
313.07031	13.0
313.11612	6.1
313.17740	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	313.0708
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
55.01864	1.6
55.05499	1.1
61.66836	0.6
68.99767	0.7
69.03421	1.6
70.87136	1.4
74.28111	0.7
81.03419	2.8
81.07080	1.2
83.08632	0.6
85.02893	2.5
91.05468	1.4
91.28561	0.7
93.07014	0.9
95.04983	0.8
97.02893	0.7
105.07034	1.0
106.03660	0.8
107.04993	0.7
109.02858	4.9
123.04459	1.7
129.07019	1.0
131.04929	2.6
133.06485	1.0
137.02362	3.6
147.04420	2.2
151.03973	0.7
151.07561	0.9
152.06194	3.5
153.07239	0.9
155.08627	0.8
159.04459	3.3
159.11702	0.9
160.03920	1.4
160.05215	21.5
161.05942	4.0
163.07617	0.7
165.07022	4.9
167.08575	3.8
169.06544	1.2
175.03973	0.9
175.05518	0.7
176.04904	0.7
176.06232	5.4
177.05606	0.7
177.07022	14.0
178.07716	0.9
181.06494	15.2
193.06505	1.5
194.07300	1.2
195.08060	7.7
197.06024	2.5
199.07602	2.5
204.21214	0.7
205.06503	41.6
206.06981	1.0
211.07541	2.3
221.06004	30.0
222.06693	1.4
223.07556	100.0
224.07924	1.1
233.05992	21.4
234.06775	6.4
237.05539	1.2
239.07019	2.3
249.05492	23.5
250.06180	2.9
251.07063	88.6
252.07408	1.3
252.19458	0.8
253.08878	0.7
266.08975	1.6
267.06427	4.2
268.07224	1.3
269.08112	55.3
273.21759	0.8
277.02145	1.4
277.05005	17.2
283.05957	1.3
284.06763	0.9
295.06036	54.0
296.09879	1.5
313.07135	19.3
313.10709	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	313.0705
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.02361	0.9
53.03936	1.2
65.03930	0.8
67.05501	2.3
77.03932	2.8
79.05492	1.6
81.03433	0.5
89.03920	7.5
91.05475	2.1
95.04975	3.1
97.42784	0.5
98.20794	1.4
105.03408	5.7
107.04957	2.2
107.08611	0.6
109.02901	0.6
110.03611	0.8
114.77090	0.5
117.03389	7.6
119.04948	0.8
123.04431	100.0
124.04818	0.6
131.04927	0.8
133.02859	32.5
135.04422	19.5
135.05339	0.5
135.77000	0.5
137.02354	7.4
137.03398	0.8
145.02847	8.8
147.04419	0.9
151.03903	17.3
152.04692	2.7
161.02344	1.4
163.03914	56.0
164.02899	0.5
164.04234	0.9
165.07043	4.6
169.06499	0.7
173.02359	0.8
175.03912	3.1
177.06981	0.9
185.02452	0.8
187.03923	0.9
191.03401	54.3
193.06476	2.9
195.08073	0.7
197.06003	1.5
204.04160	1.7
205.06490	0.9
211.07620	2.0
215.07181	0.5
221.06001	7.6
223.07527	1.8
225.05496	0.7
239.07050	4.1
243.06511	1.3
249.05463	5.6
251.07108	1.9
253.04982	0.6
267.06543	7.4
269.07983	0.9
277.04977	0.7
285.07635	2.0
295.05997	13.2
313.07062	65.2
314.07394	0.9
317.42279	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	313.0708
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
53.04499	0.3
55.01869	1.0
56.71853	0.3
69.72312	1.9
81.03426	0.6
92.33807	0.4
93.03408	0.7
103.45178	0.3
109.02882	0.7
111.04436	1.4
117.06992	0.5
123.04473	2.5
129.03386	0.4
131.04944	0.4
137.02336	2.7
139.03934	0.7
147.04424	9.5
152.06219	0.8
153.07031	0.7
155.08574	0.7
157.02905	2.9
160.05215	1.9
165.05757	0.6
165.07022	8.3
167.08560	1.2
167.99532	0.3
169.06461	0.7
174.04776	0.4
175.03947	9.2
175.05429	0.8
176.06215	2.3
177.05582	0.7
177.07002	6.2
177.08459	0.7
178.05811	0.6
179.04939	0.5
181.06491	2.1
183.08014	1.1
189.39186	0.4
193.06503	6.3
195.08073	1.6
197.06094	2.0
203.03386	3.0
203.05002	1.3
204.08147	0.7
205.06517	10.3
206.07193	0.5
211.07567	3.8
220.05145	0.7
221.05997	100.0
222.06477	2.5
223.07562	17.0
224.04683	0.7
224.08005	0.4
225.05441	0.4
231.04301	0.4
233.05952	3.1
234.06714	0.8
236.04834	0.5
236.06964	1.7
238.06099	0.7
239.07056	12.5
241.08537	0.4
242.05937	0.4
243.06575	0.6
248.04698	0.5
249.05492	59.2
250.06073	3.0
250.08664	1.2
251.07074	12.9
252.07671	0.4
257.08109	3.7
266.05759	4.1
267.06546	37.6
268.07193	2.2
269.08075	5.2
277.04984	22.3
278.05530	0.6
285.07611	9.2
295.06039	89.2
296.06393	1.6
296.09396	0.7
313.07132	4.1
313.10727	0.5
320.73007	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	313.071
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.01594	0.4
51.02380	0.7
53.03942	1.0
54.93463	0.3
55.01878	0.5
64.12447	0.3
65.03934	0.5
65.83125	0.3
67.05511	2.1
69.46982	0.3
71.53883	0.6
74.04851	0.3
77.03931	2.6
79.05487	1.3
81.03421	0.9
81.07068	0.8
81.80637	0.3
89.03925	5.8
91.05490	2.7
93.07033	0.4
95.04980	3.1
95.08615	0.4
105.03401	3.7
105.04519	0.5
105.06989	0.3
107.04968	1.6
107.08620	0.5
108.86273	0.3
109.02869	0.6
110.03672	0.9
117.03388	5.6
119.04959	0.9
120.63274	0.3
121.06480	0.3
123.04440	100.0
124.04770	0.4
129.03319	0.4
131.04958	0.8
133.02863	9.6
135.04430	13.8
135.11723	0.4
137.02367	7.1
137.03409	0.4
141.07071	0.4
145.02849	4.6
145.03969	0.4
147.04416	2.0
150.03087	0.5
151.03908	4.7
152.04706	1.6
152.05876	0.3
155.08592	0.4
159.04475	0.4
160.05202	0.3
161.02336	0.9
163.03922	30.8
165.07025	3.9
169.06494	0.6
173.02350	0.5
175.03925	4.9
177.07062	0.6
178.14227	0.3
181.06514	0.7
183.08049	0.5
187.03943	0.5
191.03412	50.8
192.03799	0.4
193.06465	2.6
195.08127	0.7
197.06010	2.0
203.03378	0.7
204.04156	1.5
205.04907	0.8
205.06552	1.6
211.07567	1.8
221.05992	7.2
222.06752	0.5
223.07535	2.4
225.05424	0.8
233.06116	0.5
239.07092	3.1
243.06508	1.5
249.05504	5.5
250.06334	0.5
251.07082	2.9
253.05092	0.5
266.08838	0.4
267.06525	6.6
268.07361	0.4
269.08020	0.9
271.06021	0.8
277.04977	1.5
285.07642	1.6
295.06046	11.2
308.14087	0.3
313.07074	61.5
314.07391	1.4
329.14978	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	312.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
54.54380	0.2
55.01863	0.3
56.96563	2.7
57.03428	0.5
61.02918	0.6
62.38655	0.2
64.39606	0.2
69.03428	2.2
70.98118	0.5
71.02233	0.5
71.04987	0.2
72.45603	0.2
73.02917	0.5
81.03420	0.8
84.08150	0.5
84.96020	0.2
85.02902	3.2
86.09724	0.2
87.04475	0.6
88.99146	0.3
95.06083	0.6
97.02905	1.4
98.97591	5.0
99.04454	0.4
105.87003	0.2
109.02870	0.4
109.05129	0.8
110.07106	0.2
110.97555	0.2
116.98629	2.2
119.01831	0.2
121.02589	0.2
124.35817	0.2
127.03888	0.7
128.98599	0.6
130.08685	0.4
133.05101	8.0
133.06114	0.4
134.99669	0.8
136.06184	0.3
145.05057	0.3
146.99664	0.6
150.07756	100.0
151.08066	0.8
158.01373	0.2
165.00702	0.2
172.94351	0.3
174.97699	1.2
176.41165	0.2
189.00658	0.7
192.98669	0.6
193.00177	0.3
198.97614	0.4
207.01790	0.4
209.12868	0.5
211.01122	0.3
213.54672	0.2
216.98663	4.1
219.01918	0.4
234.99759	5.6
235.07570	0.4
265.08572	0.3
268.20245	0.5
295.09796	0.9
300.05994	0.2
312.05588	0.5
312.13028	25.0
313.13403	0.6
330.07068	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	312.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
62.22161	0.3
66.77220	0.5
69.03426	0.8
70.06593	1.0
71.57987	0.5
73.02910	0.7
78.04691	0.5
79.05488	0.6
81.03447	0.6
85.02910	1.1
89.03918	6.7
90.91407	0.4
91.05466	0.8
96.62138	0.3
97.79984	0.5
99.04487	0.4
106.04196	0.5
107.04955	0.7
117.03383	25.5
117.07003	0.6
121.02870	0.7
132.04448	1.4
134.03638	1.8
135.04410	1.2
135.07976	0.4
136.07620	0.5
137.05994	1.1
145.02852	60.7
145.06494	3.5
149.05984	8.8
149.07101	0.6
150.05504	1.3
152.07053	0.4
162.05513	0.9
163.03870	0.4
175.07681	0.5
177.05481	100.0
178.05798	0.6
186.05611	0.8
191.67599	0.3
194.07175	0.5
205.06534	1.2
221.05943	0.5
222.06654	0.5
223.07591	0.6
233.06152	0.6
235.07568	1.3
237.09131	1.4
251.07101	0.6
263.07205	0.8
265.08499	2.0
284.06592	0.5
295.06512	0.7
295.09613	4.2
312.05600	0.6
312.12396	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	312.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01854	0.3
60.45675	0.3
63.02372	0.4
68.47933	0.3
70.06573	0.5
70.74412	0.2
70.93867	0.6
78.04723	0.4
82.64664	0.3
89.03918	7.5
90.77393	0.3
91.05495	0.8
92.92149	0.3
95.04986	0.4
103.05452	0.5
106.04169	0.5
107.04949	0.7
107.08582	0.3
109.02876	0.5
111.04483	0.4
117.03382	27.8
117.06992	0.8
119.04974	0.5
121.02869	0.8
131.08632	0.4
134.03662	1.9
135.04437	1.3
137.06013	0.3
139.05772	0.4
144.04445	0.5
145.02849	60.5
145.06494	4.6
146.03197	0.6
147.04379	0.7
149.05983	8.5
155.06038	0.6
162.05510	1.4
163.03889	0.6
165.07019	0.7
173.13318	0.6
175.03932	0.4
175.07489	0.6
177.05473	100.0
178.05772	0.8
186.05516	0.4
188.07050	0.6
193.06552	0.5
205.06474	1.3
221.05991	6.9
223.07565	1.5
235.07550	0.6
239.07095	0.9
249.05481	4.1
251.07013	1.1
257.07980	0.3
263.06992	0.5
265.08591	1.0
266.05673	0.5
267.06607	2.3
269.08136	0.7
277.04987	1.7
284.06281	0.4
285.07513	0.6
295.02841	0.5
295.06003	7.0
295.09613	1.9
312.09238	0.3
312.12247	2.9
312.16281	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	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.1
55.05518	34.2
57.07071	19.6
67.05503	28.2
69.07075	78.2
70.21311	17.9
71.08639	11.8
79.05502	25.3
81.06582	6.1
81.07064	100.0
83.08641	30.7
85.06558	15.7
91.05486	19.2
93.07063	32.3
95.08607	90.3
97.06563	10.5
97.10177	19.3
98.20774	4.6
99.08094	10.8
105.07027	10.9
107.08601	29.0
109.10171	54.2
111.08080	25.1
111.11729	18.4
117.03465	5.5
119.08648	6.0
121.10146	20.0
123.11703	39.0
125.09668	8.9
125.13317	4.8
131.08665	4.9
135.11717	14.6
137.13278	20.8
145.02867	19.7
145.10091	5.8
149.13278	26.0
167.14275	6.9
177.05537	20.9
181.06516	5.0
237.05457	6.8
259.24576	4.7
265.04858	7.2
283.06009	18.0
293.28339	22.6
295.09744	8.3
311.05386	26.8
311.09216	3.5
311.20135	6.0
311.23669	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	312.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04295	0.8
53.03956	1.1
56.15165	0.7
61.01155	31.9
62.63927	0.7
67.05504	0.9
68.99764	1.0
78.03801	0.8
79.05502	31.7
86.02435	1.9
86.30740	0.8
89.03910	0.8
90.12003	0.7
95.04989	1.0
95.45069	0.8
98.21511	1.9
103.05486	5.7
104.01698	14.5
104.03476	15.6
104.46441	0.7
107.04965	100.0
107.08589	0.8
117.03399	2.0
129.00082	13.1
130.05017	10.3
131.04938	30.0
137.02356	2.3
145.02873	3.8
146.02722	23.1
149.05998	6.9
163.03937	0.9
164.03780	84.8
166.03307	0.8
177.05522	7.3
284.06512	0.8
295.09668	1.5
312.05710	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	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77610	0.7
53.03933	1.6
55.01855	2.4
55.05514	63.1
57.03442	20.9
57.06791	1.0
57.07079	29.0
67.05503	8.3
69.07071	64.3
70.52615	0.7
70.83987	1.0
70.84315	1.7
71.04983	1.4
71.08632	17.7
73.02907	2.2
73.06526	0.8
79.05508	5.9
81.07056	13.9
83.04992	1.6
83.08622	58.8
85.10175	7.1
91.05539	1.0
93.07044	9.1
95.08615	9.5
97.06536	5.1
97.10175	39.6
98.10532	0.8
105.07047	1.1
107.08611	6.6
109.10159	3.7
111.08087	2.3
111.11710	12.9
111.97810	0.8
115.07552	0.8
121.10141	7.6
123.11729	1.7
125.09616	1.2
125.13297	2.0
135.04420	1.0
135.11644	5.4
139.11230	1.4
149.13242	3.1
153.12717	1.1
153.16304	0.8
163.14766	0.8
191.70386	0.8
219.21017	2.5
237.11194	1.6
295.09772	1.1
306.88889	0.9
311.25815	100.0
312.26248	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	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.1
55.05518	34.2
57.07071	19.6
67.05503	28.2
69.07075	78.2
70.21311	17.9
71.08639	11.8
79.05502	25.3
81.06582	6.1
81.07064	100.0
83.08641	30.7
85.06558	15.7
91.05486	19.2
93.07063	32.3
95.08607	90.3
97.06563	10.5
97.10177	19.3
98.20774	4.6
99.08094	10.8
105.07027	10.9
107.08601	29.0
109.10171	54.2
111.08080	25.1
111.11729	18.4
117.03465	5.5
119.08648	6.0
121.10146	20.0
123.11703	39.0
125.09668	8.9
125.13317	4.8
131.08665	4.9
135.11717	14.6
137.13278	20.8
145.02867	19.7
145.10091	5.8
149.13278	26.0
167.14275	6.9
177.05537	20.9
181.06516	5.0
237.05457	6.8
259.24576	4.7
265.04858	7.2
283.06009	18.0
293.28339	22.6
295.09744	8.3
311.05386	26.8
311.09216	3.5
311.20135	6.0
311.23669	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03935	1.4
55.05517	60.8
57.03188	2.0
57.03446	23.4
57.07081	28.1
67.05511	10.9
69.07075	68.6
70.76445	2.6
70.76800	1.1
71.04993	1.5
71.08285	1.4
71.08638	15.3
79.05502	7.6
81.07064	16.9
83.05003	2.7
83.08627	60.6
85.10197	6.5
91.05470	1.8
93.07053	8.4
95.08611	9.0
97.06545	5.5
97.10181	42.3
99.08109	1.1
105.07045	1.7
107.08597	7.6
109.10180	5.1
111.04424	1.4
111.08086	3.5
111.11728	11.5
121.10162	8.2
123.11717	1.7
125.09668	1.9
125.13285	2.9
135.04471	4.6
135.11691	6.4
149.09647	1.6
149.13292	2.7
153.05473	1.9
153.12758	1.2
161.09656	4.3
173.41553	0.9
191.10745	1.6
209.11697	6.0
219.21111	1.2
226.04453	1.1
235.29686	1.1
237.11240	5.5
237.22179	1.4
241.93745	1.0
255.12434	1.2
274.27414	1.0
281.13223	1.0
295.09457	1.3
311.07373	1.5
311.19980	3.2
311.25836	100.0
312.26184	1.8
321.74655	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03919	1.9
55.01867	1.6
55.05513	57.9
57.03151	1.0
57.03440	23.0
57.07077	29.5
67.05508	10.5
68.00567	0.8
69.07071	67.8
70.94998	1.8
71.04979	0.9
71.08278	1.5
71.08636	18.2
72.53953	0.8
73.02892	1.6
79.05486	7.0
81.07066	12.2
82.70988	0.8
83.04979	1.5
83.08624	56.8
85.06554	1.1
85.10192	6.1
91.05515	1.0
93.07030	6.8
95.08600	6.9
97.06528	5.6
97.10176	41.9
105.07038	1.2
107.08607	5.2
109.10154	3.5
111.08098	3.2
111.11726	12.1
115.07585	0.9
121.10161	6.9
123.11697	2.0
125.09667	2.3
125.13273	2.0
135.11684	7.0
137.13307	1.2
138.25487	0.8
139.11165	2.0
139.14900	0.8
149.13242	2.8
163.14784	1.7
177.06963	0.8
209.11806	0.9
219.21089	1.4
237.11150	0.9
237.22195	1.4
245.05357	0.7
311.25812	100.0
312.26089	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	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.2
55.01864	8.4
55.05306	4.9
55.05519	57.0
57.03431	20.2
57.07077	36.1
67.05505	50.4
68.99787	6.4
69.03435	4.4
69.07071	92.6
71.04984	5.6
71.08619	12.8
71.20961	6.7
72.08144	5.9
72.72849	4.3
79.05490	35.0
81.07063	55.5
81.76382	4.4
83.04984	10.7
83.08629	49.4
91.05489	42.4
93.07052	100.0
95.04977	60.1
95.08613	92.5
97.06541	34.1
97.10191	22.9
101.61087	4.8
105.07043	83.4
107.08596	60.6
107.30576	4.5
109.06520	12.7
109.10141	37.5
111.04445	7.6
111.11697	9.5
117.07012	15.2
119.08585	84.3
121.06497	14.2
121.10162	61.9
123.08068	16.9
123.11716	22.8
128.06216	6.9
131.08595	23.9
133.10162	43.3
135.04424	87.4
135.08034	11.5
135.11679	21.4
137.13249	5.6
142.07774	7.3
143.08546	12.6
145.10132	40.8
146.07349	5.5
147.11714	17.6
149.13350	7.4
153.05417	8.2
157.10136	36.2
159.11678	45.9
161.09628	99.8
161.13258	15.4
163.11247	9.0
169.10117	16.7
171.11708	21.3
173.13286	10.5
175.14812	10.7
177.05521	6.4
177.16438	25.0
179.08542	4.8
181.05072	5.5
183.11685	11.9
185.13293	7.8
189.16409	15.2
191.10689	4.9
195.11697	6.1
197.13231	15.2
197.63951	4.7
199.14792	8.5
201.16370	11.7
209.11728	41.1
209.13400	6.5
211.14832	7.8
213.16483	7.0
215.17824	5.1
222.08754	4.9
223.14754	6.9
237.11237	43.2
237.16385	5.4
239.18147	4.4
241.19514	4.7
255.12112	7.2
255.21115	8.3
267.21106	4.7
293.22644	8.1
295.09436	5.8
311.07397	11.3
311.16376	40.0
311.20212	10.7
311.23318	21.0
311.25821	43.4
311.31494	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	311.2369
Annotation	Desogestrel
Peak:m/z	Relative Intensity
50.92373	0.5
53.03956	0.8
55.05516	3.3
59.04998	0.5
65.03954	0.8
67.05508	3.5
69.03420	0.8
69.07056	2.6
70.68277	0.8
70.68609	1.5
79.05505	4.2
81.07063	4.1
83.08617	2.8
89.41888	0.6
91.05499	4.5
93.07048	7.9
95.08605	11.1
96.70451	0.6
97.10175	0.7
105.07026	4.2
107.08604	11.4
109.06531	1.5
109.10175	4.3
111.08083	1.9
115.05426	1.0
117.06988	1.6
119.08583	7.1
121.06501	3.0
121.10156	4.6
123.08035	0.7
123.11716	0.8
128.06215	1.5
129.07037	3.3
131.08571	3.6
133.06529	0.9
133.10139	4.8
135.08046	4.0
135.11717	1.1
141.06979	1.4
142.07758	2.4
143.08559	9.4
144.01526	0.7
144.09367	1.2
145.06517	1.4
145.10132	5.8
147.08063	5.1
147.11674	2.2
149.09593	0.8
155.08560	2.7
156.09283	1.7
157.06506	1.8
157.10133	12.0
158.10983	1.6
159.08099	4.3
159.11732	6.9
161.09593	3.3
161.13324	1.0
167.08533	1.2
169.10118	3.5
170.10966	1.4
171.08057	8.6
171.11705	10.1
173.09660	4.0
173.13269	4.7
175.11206	0.9
175.14789	1.9
179.08517	1.1
181.10103	2.8
183.11717	4.8
184.08711	0.7
185.09637	12.1
185.13255	3.3
185.14931	0.6
186.10362	0.7
187.11206	0.8
187.14847	2.2
189.12679	0.9
193.10147	3.1
195.11702	1.9
197.13220	3.4
198.10660	0.7
199.11145	4.9
199.14822	4.6
201.12770	2.9
203.14334	13.7
208.12485	2.7
209.13297	1.6
211.11186	1.8
211.14769	1.1
213.12772	2.8
213.16379	5.4
215.14331	5.0
217.15973	0.9
223.14833	7.3
226.13536	7.3
227.14313	1.4
229.15836	1.4
237.16444	2.0
239.18016	1.6
240.15250	1.0
241.15887	38.5
241.19652	1.5
242.16339	0.8
251.17924	0.7
255.17412	2.7
265.08594	0.8
265.19531	1.0
269.22675	1.1
278.20306	0.9
283.24124	1.0
290.68854	0.8
293.22650	5.5
296.21216	1.5
311.20419	4.2
311.23688	100.0
312.23920	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03946	7.4
55.01871	11.9
55.05515	29.3
57.03434	6.3
57.07083	8.9
67.00788	5.1
67.05510	67.7
69.03455	8.7
69.07071	54.4
69.15647	5.2
70.49302	6.4
70.49634	16.5
71.08634	7.8
79.05489	45.1
81.07056	100.0
83.04984	12.6
83.08620	21.8
91.05488	41.9
93.07055	63.0
95.04975	12.2
95.08614	71.9
97.06536	19.5
97.10154	14.2
99.08080	10.7
105.07029	44.6
107.08593	40.7
109.06561	11.4
109.10133	34.4
110.70451	5.6
111.08105	14.3
117.07006	10.9
119.08605	42.1
121.10149	25.8
123.08036	8.2
123.11716	23.0
125.09645	15.4
131.08562	13.6
133.10156	35.4
135.08092	10.7
135.11694	16.6
137.09634	10.7
145.10141	15.4
147.11731	16.3
149.09647	15.5
149.13277	11.4
151.11195	7.1
157.10095	7.8
159.11687	8.6
160.05190	9.2
163.14830	6.8
173.13274	8.3
177.12775	7.6
183.11761	9.4
239.17928	7.1
247.20763	8.4
257.19012	15.0
275.20132	91.4
283.05972	14.9
293.21106	25.7
311.05441	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	310.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.03439	1.4
57.07071	2.4
60.04520	1.3
61.02934	1.4
64.18360	1.2
67.05181	1.5
67.05512	18.5
69.03411	4.1
69.87373	5.9
70.06606	6.8
71.04997	37.8
72.08147	1.9
73.81604	1.2
81.03403	2.0
85.02905	10.0
85.06555	10.8
88.03980	1.4
91.05487	1.9
95.04978	4.9
97.02909	3.5
102.17368	1.2
113.06017	100.0
115.38563	1.1
119.04930	1.8
120.08072	2.2
121.06523	1.7
131.07047	34.9
131.08540	1.6
135.08057	2.0
136.07562	2.4
137.06099	1.3
145.04961	1.7
147.04369	2.0
148.04752	3.2
166.04947	1.4
263.07092	1.6
293.08029	2.4
310.06909	5.3
310.10184	2.3
310.17685	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	311.074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07846	0.5
56.96553	0.7
69.03429	1.2
71.50505	0.5
85.02885	1.5
97.02882	1.2
102.03766	1.0
115.62553	0.5
119.08537	0.5
127.03932	0.8
137.06047	0.7
149.02113	24.5
149.07454	2.2
185.02699	3.3
185.04341	7.9
209.03101	0.6
227.04114	0.9
263.04144	0.7
311.07401	100.0
312.07703	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	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.86394	1.6
53.03938	4.2
55.01864	3.1
55.05516	25.7
57.03438	3.2
57.07079	24.7
57.84882	1.5
59.04988	4.8
64.16151	1.4
65.03932	5.0
65.93438	1.6
67.05170	2.7
67.05508	38.6
69.03434	8.9
69.06721	2.8
69.07075	47.0
71.05000	5.5
71.08639	14.5
79.05499	34.8
81.03423	10.1
81.07062	88.2
81.22280	2.0
83.04990	8.9
83.08620	26.7
85.02898	3.7
85.06554	9.1
85.10193	5.1
91.05486	29.2
93.07050	36.8
95.04964	5.7
95.08612	81.0
97.02882	4.6
97.06539	7.1
97.10172	14.8
99.08101	3.0
105.07027	28.0
107.04969	3.0
107.08607	35.4
107.93340	1.4
108.44987	1.5
109.02887	4.1
109.06532	9.6
109.10164	49.4
111.08097	8.8
111.11739	9.1
113.06021	1.8
117.06995	2.2
119.04952	28.2
119.08590	20.7
121.06552	2.2
121.10142	24.0
123.08083	11.9
123.11722	24.5
125.09624	2.8
125.13279	2.1
127.07570	5.1
129.30251	1.8
131.08598	6.0
133.10138	19.0
135.11729	16.4
137.09641	4.4
137.13277	13.7
139.11189	4.3
141.09090	3.3
143.08578	2.4
145.10153	5.2
147.04419	100.0
147.11697	18.1
148.04739	2.9
149.09639	3.0
149.13243	11.9
151.07547	4.1
151.11171	6.6
151.14809	2.8
155.10666	2.0
157.10141	5.0
159.11655	2.0
161.13271	9.3
163.14815	5.9
165.05481	1.7
165.12753	8.8
165.16400	3.3
171.11755	3.0
175.11238	2.0
175.14890	4.8
177.16403	3.8
179.08499	2.0
183.13876	1.8
185.13306	2.8
189.16435	4.1
191.17975	2.9
197.06061	1.8
203.17900	5.0
213.16388	2.1
217.19536	3.5
221.06026	5.9
231.13863	5.2
235.07626	2.4
237.16373	2.0
258.72897	1.5
263.07037	5.2
266.05835	3.0
273.18607	2.6
273.25760	15.0
277.04822	1.8
281.07993	2.3
291.08606	6.1
291.19592	5.5
291.26791	15.8
293.08264	1.7
309.03882	3.4
309.07608	11.8
309.12064	3.8
309.22092	3.2
309.28040	19.7
310.07123	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	309.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01876	7.8
55.05512	26.2
57.03429	4.9
57.07077	12.1
59.05001	27.5
65.03934	2.9
66.94816	1.1
67.05172	1.7
67.05508	28.6
69.03434	7.9
69.07070	65.9
71.04983	5.4
71.08617	5.1
71.59148	1.4
72.77509	1.1
73.06560	1.2
79.05489	19.5
81.03426	9.5
81.07057	75.8
83.04978	3.4
83.08132	2.2
83.08618	31.0
85.02901	5.1
85.06544	13.0
85.10190	1.7
86.28690	1.2
86.83061	1.2
89.06012	1.4
91.05488	23.1
93.07050	32.0
95.04993	5.7
95.08610	65.1
97.02892	6.5
97.06539	9.6
97.10172	8.9
99.04446	2.2
99.08076	7.2
105.07035	14.1
107.04945	4.1
107.08606	26.6
109.02888	3.6
109.06541	6.3
109.10156	28.6
111.08085	26.1
111.11698	4.4
113.09660	2.2
117.03406	1.4
117.07038	2.9
117.09138	4.1
119.04955	26.0
119.08580	15.3
121.06510	2.8
121.10156	16.8
123.08094	7.5
123.11716	32.2
125.05898	1.3
125.09657	3.9
125.13249	3.7
127.03935	2.0
127.07541	3.1
129.06985	2.0
131.08562	2.9
133.10144	9.6
135.08063	2.4
135.11694	13.1
137.05949	1.4
137.09589	3.4
137.13284	10.5
139.11189	4.8
142.07697	1.4
143.08562	2.9
145.02820	2.9
145.10103	4.8
147.04414	100.0
147.08064	2.9
147.11667	8.6
148.04680	2.4
149.09566	2.8
149.13268	11.5
151.11194	3.8
151.14859	2.4
153.07027	1.5
153.12775	6.2
157.10149	2.1
159.11665	3.0
161.09662	2.0
161.13255	4.8
163.11235	1.9
163.14833	8.0
165.05460	4.1
165.06909	1.2
165.12753	6.8
167.14272	2.4
169.12198	1.7
171.11694	1.6
171.13831	1.4
175.14832	1.6
177.05473	3.5
177.16376	3.8
179.14308	2.3
181.15775	1.6
191.04939	1.4
191.17929	2.9
193.16000	1.7
195.11896	1.3
203.17996	3.0
205.06700	1.7
207.04437	4.5
209.18988	3.1
217.19559	3.3
220.05252	1.8
221.06013	7.5
225.05595	1.3
227.17938	1.4
231.13832	2.7
234.06769	1.5
235.03859	1.7
235.07585	2.4
237.05463	2.3
245.83986	1.6
247.20657	2.3
249.05476	3.6
249.09261	1.2
249.18579	1.5
253.04990	1.6
253.09450	1.4
263.03488	3.5
263.07050	3.2
265.05106	1.8
266.05820	2.7
273.18524	3.8
273.25781	5.7
277.05099	1.8
277.08707	2.5
279.26935	1.5
280.65567	1.3
281.04410	12.1
281.08917	1.4
291.02872	1.8
291.08627	6.0
291.19565	4.9
291.26794	16.7
294.05109	1.8
309.03912	57.6
309.07706	16.8
309.11246	1.8
309.20673	3.8
309.24170	1.6
309.27847	20.3
309.31201	1.8
310.04309	4.2
310.07498	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03947	4.4
55.01872	6.2
55.05262	1.9
55.05515	31.1
57.03424	4.4
57.07080	17.5
59.05005	28.5
65.03944	2.6
67.05509	33.7
69.03429	9.7
69.07071	80.1
69.41510	8.4
69.41920	2.2
71.04985	9.6
71.08633	6.5
73.06549	3.5
79.05497	23.4
81.03419	9.2
81.07062	100.0
83.04985	4.4
83.08137	2.5
83.08623	40.7
85.02909	4.3
85.06537	11.1
85.10191	3.3
91.05480	22.5
93.06465	2.1
93.07054	35.4
95.04977	7.3
95.08611	78.3
97.02903	7.5
97.06546	12.7
97.10168	10.4
98.21502	2.3
99.08102	8.3
105.07034	23.4
107.04961	7.7
107.08600	40.0
109.02879	2.7
109.06488	7.4
109.10159	39.4
111.04460	1.5
111.08083	33.4
111.11723	6.8
113.09674	1.6
113.18177	1.2
117.06995	2.9
117.09136	4.9
119.04945	20.9
119.08575	15.5
121.06497	2.6
121.10140	23.0
123.08101	8.2
123.11714	36.6
125.09637	5.7
125.13279	3.0
127.03847	2.0
127.07550	1.9
129.07022	1.7
131.08592	6.2
133.10129	9.5
135.08073	1.7
135.11711	16.9
137.09602	3.3
137.13269	12.5
139.11186	5.7
141.06902	1.7
145.02881	2.0
145.10121	5.6
147.04419	85.1
147.08041	2.6
147.11699	14.1
148.04732	1.8
149.09647	3.0
149.13274	15.6
151.11220	2.5
151.14819	2.4
153.12747	9.3
159.11652	2.4
161.09648	2.9
161.13268	5.5
163.11212	3.1
163.14830	9.0
165.05498	3.0
165.12785	9.9
167.14325	1.7
171.11679	1.7
171.13777	1.7
173.13222	1.9
175.14856	2.2
177.16443	5.1
179.14388	3.3
179.17908	1.9
189.09250	1.3
189.16385	3.5
191.17891	1.3
193.15907	1.5
203.18015	1.7
207.04437	2.2
209.19070	2.1
213.16310	1.2
217.19569	3.7
219.21265	1.2
220.05211	1.8
221.06003	6.1
225.05524	2.3
231.13924	1.3
231.17613	1.2
234.06734	1.5
235.07465	2.9
237.05450	3.0
245.19273	1.6
247.20570	1.4
247.24266	1.7
249.05363	3.2
249.18506	3.1
253.04877	2.0
255.17374	1.9
263.03369	3.6
263.06921	2.8
265.05023	2.0
266.05789	3.6
273.18472	6.1
273.25726	7.0
277.04984	1.7
277.08585	1.4
279.26849	1.8
281.04514	13.3
291.02982	3.6
291.08606	4.8
291.19769	6.2
291.26834	19.5
294.05212	2.5
309.03928	62.5
309.07642	16.0
309.20761	6.3
309.27905	25.6
310.04315	6.8
310.07465	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	309.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01874	3.0
55.05515	21.6
57.03434	3.7
57.07085	15.2
59.04993	3.7
65.03927	2.5
67.05509	29.0
69.03436	7.9
69.07072	38.4
71.04995	4.9
71.08636	7.6
71.21288	2.5
75.23538	1.3
75.24030	1.2
79.05499	27.6
81.03421	10.1
81.07063	68.3
83.04989	6.3
83.08627	17.7
85.02898	3.7
85.06553	5.2
85.10196	4.4
91.05481	26.8
93.07050	23.8
95.04978	4.8
95.08613	56.9
95.09237	2.0
97.02914	3.8
97.06525	5.2
97.10178	9.2
98.15434	1.1
98.98448	1.6
99.08095	3.7
101.05966	1.4
105.07045	20.2
107.04962	3.1
107.08597	31.0
109.02866	2.9
109.06514	10.3
109.10165	27.2
111.08099	7.0
111.11726	7.8
113.06044	1.4
117.07019	3.3
119.04951	26.7
119.08573	15.0
120.05296	1.3
121.06457	1.5
121.10141	15.7
123.08092	12.5
123.11711	18.1
125.09612	2.9
125.13289	2.8
127.03922	1.9
127.07593	2.5
131.08586	4.5
133.06569	2.0
133.10159	9.7
135.04396	1.0
135.08069	1.6
135.10898	1.2
135.11736	10.5
137.05998	5.3
137.09648	4.2
137.13266	7.4
138.29388	1.4
139.11197	4.0
141.09102	2.3
141.12804	1.6
143.08632	2.0
145.10101	7.0
147.04419	100.0
147.11693	12.7
148.04749	2.4
149.09636	3.7
149.13297	8.7
151.07565	4.9
151.11130	1.4
151.14848	4.0
153.12769	2.0
157.10194	3.2
159.11729	2.8
161.09694	1.5
161.13275	5.5
163.11191	1.3
163.14867	4.8
165.05521	3.0
165.12779	5.5
165.16374	1.3
169.08694	1.2
171.11728	2.6
173.13326	1.5
175.14774	2.5
177.16446	4.1
179.17796	1.5
185.13345	1.7
187.53723	1.4
189.16380	2.8
191.18016	2.1
203.17888	1.9
213.12822	1.3
213.16524	1.6
217.19600	2.8
221.06026	3.5
227.17874	1.6
229.19656	1.4
231.13858	3.7
235.07568	2.3
237.16380	1.5
247.24347	1.3
263.07071	2.9
273.18448	4.6
273.25803	8.4
281.07996	1.6
291.08771	7.0
291.19534	7.2
291.26788	7.6
294.05222	2.4
309.04004	2.8
309.07632	12.1
309.12085	3.9
309.20728	3.8
309.28152	9.1
310.07690	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	3.2
54.02060	1.3
55.01871	4.0
55.05262	2.1
55.05513	29.2
57.03438	29.8
57.07073	6.3
59.04996	1.2
65.03928	2.8
66.92462	1.2
67.05508	78.2
69.07072	41.5
71.04984	3.5
71.08623	3.0
71.16024	2.0
71.16354	1.5
73.01876	1.1
79.05496	26.9
81.03425	2.1
81.07059	100.0
83.04974	4.0
83.08627	19.8
85.06539	3.5
91.05487	22.6
93.07050	24.8
95.04951	5.1
95.08611	75.9
97.06517	5.6
97.10175	9.9
99.08110	3.1
103.10497	1.2
105.07048	16.4
107.04933	2.5
107.08603	15.8
109.06505	4.7
109.10160	33.6
111.04433	3.1
111.08120	3.1
111.11718	3.1
113.06008	2.2
113.09613	2.0
117.07007	2.4
119.08582	17.5
121.10152	13.6
123.08046	3.9
123.11708	11.9
125.09637	2.0
129.05487	5.2
131.08572	4.8
133.10143	15.6
135.08093	1.9
135.11717	13.3
137.09590	4.4
137.13239	5.4
139.11168	1.3
142.07762	1.9
143.08585	3.3
145.10101	3.4
147.04413	2.6
147.11699	10.1
149.13295	4.4
151.11163	2.1
151.14798	4.1
153.12752	2.0
157.10162	3.9
159.11705	2.5
161.13278	6.6
165.12709	1.6
171.11789	1.7
175.14818	2.7
185.13239	2.4
187.14850	1.4
189.16429	2.5
193.15967	1.2
199.14859	1.4
213.12717	1.7
216.16138	1.9
217.19514	14.9
225.16653	2.0
231.13818	3.1
235.20578	7.3
240.84258	1.3
247.16130	1.6
263.06931	1.2
291.19556	6.5
291.23032	1.4
297.69479	1.4
309.24261	98.2
310.07184	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.64995	2.6
53.03932	5.6
55.01870	4.3
55.05515	21.7
57.03419	7.5
57.07069	3.6
58.17280	2.4
64.65663	2.2
67.05510	35.2
69.07075	19.2
70.79356	4.7
71.04977	4.4
78.60265	2.5
79.05495	35.9
81.03407	4.6
81.07064	46.2
83.04957	2.7
83.08607	7.9
84.34687	2.6
91.05481	39.1
93.07054	66.8
95.04969	58.8
95.08044	4.2
95.08604	40.5
97.06535	19.5
103.05450	5.5
105.07037	83.0
107.08606	38.9
109.06514	10.9
109.10168	19.3
115.05424	4.7
117.07023	15.0
118.32101	2.5
119.07698	2.4
119.08585	58.5
121.06495	9.4
121.10148	96.8
123.08079	13.7
123.11706	8.5
128.06239	9.0
129.06981	15.2
130.07805	4.9
131.08575	38.7
133.10141	46.9
135.08035	4.2
135.11708	12.2
141.06970	6.1
142.07790	18.6
143.08577	33.2
144.09337	10.9
145.10143	45.7
147.08023	6.6
147.11722	12.5
149.09734	3.6
155.08601	11.9
156.09320	10.0
157.09149	2.8
157.10152	31.3
158.10857	5.2
159.08064	5.1
159.11723	35.8
161.09642	13.6
161.13255	9.0
165.06943	4.1
167.08549	3.8
168.09329	5.2
169.10153	24.6
170.10838	7.3
171.11681	24.0
172.12376	3.5
173.09647	4.5
173.13293	20.4
175.11305	3.7
175.14854	8.7
179.08583	6.0
181.10078	8.1
182.10902	3.8
183.11726	16.4
184.12456	3.6
185.13307	19.3
187.11185	11.2
187.14824	14.5
193.10097	9.9
194.10893	4.6
195.11635	10.2
196.12625	3.7
197.13333	14.8
199.11110	2.6
199.14749	12.7
201.12704	4.7
201.16336	3.5
206.10883	3.1
207.11736	7.2
209.13235	9.6
211.11244	2.3
211.14833	14.8
213.16364	6.8
215.14394	3.1
220.12447	3.0
221.13257	8.1
223.14751	5.8
225.16379	10.9
227.14215	3.2
235.14822	7.0
237.16388	3.0
239.18024	5.7
241.15891	3.2
249.16272	3.5
253.15863	9.0
253.19560	2.4
265.19534	6.0
281.22702	6.8
291.21011	10.6
309.22092	100.0
310.07028	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.39890	2.3
51.45543	1.7
53.03936	12.7
55.01871	10.3
55.05512	50.7
57.03442	15.4
57.07069	7.5
59.04975	2.6
65.03936	2.7
67.05169	3.6
67.05509	57.6
69.03445	11.8
69.07071	34.9
71.05005	10.8
71.08628	2.9
71.58821	4.0
79.05496	87.3
81.03422	17.8
81.06576	4.5
81.07061	91.1
83.04975	10.5
83.08627	25.8
85.02916	3.5
85.06551	10.2
86.96928	2.4
87.50648	2.2
91.05488	45.6
91.16576	2.0
93.07050	100.0
95.04976	26.0
95.08611	56.2
97.02911	2.1
97.06538	23.7
97.10178	34.5
98.68674	2.1
99.08088	6.4
105.07039	36.6
107.04952	9.6
107.08602	40.8
109.06522	22.9
109.10159	26.1
111.04495	2.9
111.08078	5.9
111.11707	4.0
113.06012	16.8
117.07021	12.0
119.04961	8.7
119.08582	30.7
121.06532	8.9
121.10145	41.4
123.08088	29.7
123.11707	15.2
125.09634	32.2
127.07462	2.3
128.06259	3.0
129.07014	6.0
131.08563	19.6
133.06458	3.8
133.10155	16.0
135.08078	10.3
135.11687	12.7
137.09645	10.7
137.13277	5.2
139.11185	4.0
141.07008	3.1
143.08546	13.9
145.06470	4.2
145.10149	13.9
147.04422	31.7
147.08058	4.8
147.11697	9.0
149.09624	8.5
149.13260	5.9
151.11087	3.6
153.09164	4.2
157.10127	7.9
159.11725	9.1
161.09702	5.7
161.13258	5.1
163.03911	7.0
163.11217	5.5
163.14856	5.3
165.09114	6.0
167.10727	2.6
171.10237	2.9
171.11667	6.2
173.13211	3.8
175.11191	4.7
177.12811	3.5
179.10600	2.0
182.11005	2.1
185.13287	4.3
189.11259	16.8
190.48894	2.5
199.14842	5.8
201.12738	3.2
203.14449	3.0
205.08360	2.5
213.12825	2.4
213.16444	2.9
217.15854	7.9
219.13823	5.5
221.06058	3.9
221.15324	2.8
223.13300	3.4
231.13869	6.3
235.17030	2.6
245.19005	3.8
255.17491	4.5
273.18475	27.3
273.25912	2.6
274.73929	2.1
291.19577	39.8
309.07571	5.7
309.20718	21.6
309.25333	3.0
309.28491	3.6
310.07330	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.67438	2.9
53.03943	9.3
55.01880	16.9
55.05262	4.2
55.05516	62.5
57.03441	49.8
57.74860	3.5
59.04997	3.8
62.15242	2.9
63.44259	3.2
67.05508	51.4
69.03421	10.0
69.07069	20.9
70.57624	9.8
71.05000	5.7
73.54710	3.1
78.88417	3.0
79.05499	59.8
81.06583	5.3
81.07059	93.8
83.04978	8.0
83.08614	22.4
85.06532	7.6
88.51070	3.2
91.05483	48.1
93.07053	42.6
95.04977	20.4
95.08601	26.2
97.06525	15.7
97.10175	41.8
99.08071	8.6
103.11004	3.1
105.07027	35.6
107.04964	43.1
107.08598	29.1
109.06531	36.8
109.10137	13.2
111.08067	5.1
115.05437	4.3
117.07021	42.4
118.82195	3.3
119.04929	9.3
119.07782	5.6
119.08590	72.6
121.06493	12.2
121.10130	13.2
122.07174	2.9
123.08071	20.2
123.19704	3.1
125.09642	31.5
128.06163	3.4
129.07027	16.5
131.08586	24.8
133.06482	6.0
133.10133	14.9
135.08080	16.4
137.09589	6.4
141.07063	3.4
143.08546	14.7
145.10117	38.1
147.04428	25.1
147.08066	37.9
147.11681	5.6
149.09648	8.8
153.09059	4.6
155.08559	4.2
157.10149	21.0
159.08025	8.5
159.11678	14.8
161.09682	16.5
161.13197	5.2
163.11188	6.0
167.08530	6.0
171.11673	11.1
173.09703	4.6
173.13219	5.4
175.11186	4.8
183.11594	5.1
185.13297	7.8
189.11246	19.1
191.14235	4.6
195.11725	3.7
199.14828	6.4
201.12755	4.3
203.89169	3.4
213.12569	4.2
217.15918	5.1
219.11945	3.5
219.13748	15.5
223.13231	3.6
227.18100	4.6
231.13831	6.6
249.14874	12.3
255.17439	7.9
270.64798	3.6
273.18488	67.1
291.16492	6.7
291.19577	100.0
309.04059	7.5
309.15015	15.1
309.25653	5.2
310.07028	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	7.5
53.22389	2.9
55.01874	19.1
55.05516	28.5
57.03423	5.5
57.07080	10.8
58.28716	3.2
58.43851	3.4
65.03957	4.2
67.05515	78.0
69.03436	3.2
69.07072	32.8
71.04993	10.2
71.17989	6.9
71.88510	3.3
79.05499	47.0
81.03436	10.1
81.06577	6.4
81.07063	100.0
83.01342	5.1
83.04987	12.8
83.08624	16.2
85.06541	11.3
91.05485	58.5
93.07056	40.0
95.04977	15.2
95.08605	48.3
97.06543	10.2
97.10165	6.9
99.04507	3.9
99.08099	5.5
105.07034	47.4
107.04973	11.6
107.08598	51.3
109.06519	11.2
109.10170	86.3
111.04453	7.8
111.08088	10.0
115.05499	3.4
117.07036	10.5
119.08602	27.1
119.54941	4.0
121.06496	9.3
121.10143	15.5
123.08066	16.6
123.11705	8.0
125.09695	4.7
127.07633	4.7
129.07060	6.0
131.08551	16.7
133.06474	7.5
133.10150	88.3
135.08066	9.1
135.11707	8.7
137.09610	7.7
139.07533	3.6
143.08607	7.3
145.10133	12.8
147.08061	7.1
147.11687	11.9
148.60295	3.1
149.09616	6.7
151.11203	54.0
155.08606	3.3
157.06862	3.3
157.10162	10.7
159.11729	7.7
161.09622	15.0
161.13232	4.8
165.09154	3.3
167.10609	4.1
169.10205	4.5
169.12241	11.8
171.11737	7.6
172.03268	3.7
175.11200	7.0
175.71465	3.6
177.09119	3.7
185.13304	7.2
187.11215	4.3
201.26152	3.5
203.14333	4.3
213.12770	4.6
213.16566	3.8
217.12338	4.0
227.09721	3.8
227.18018	3.8
231.13824	11.0
235.13165	4.1
245.19101	12.4
255.17438	6.5
263.07037	4.7
263.20105	11.8
273.18506	30.9
291.19601	57.4
293.08127	9.7
309.09824	3.8
309.20831	21.8
309.25247	10.0
310.07074	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	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01885	3.0
55.05510	8.4
57.03437	29.3
57.07080	2.4
63.14213	1.6
64.96805	2.0
65.03934	3.3
67.05513	28.0
68.20183	1.7
69.03456	3.5
69.07070	7.5
69.52739	13.5
71.04987	5.1
74.10846	1.6
79.05498	22.2
81.07069	14.6
82.63860	1.5
83.08612	4.5
85.06553	29.2
90.06802	1.5
91.05491	13.5
93.07042	13.9
95.04976	34.8
95.08606	11.2
96.99802	1.6
97.06542	7.2
97.10201	2.4
105.07046	10.0
107.04970	3.5
107.08575	11.5
109.06521	37.8
109.10183	3.3
113.06015	100.0
117.07038	6.2
119.04974	2.0
119.08600	8.4
121.06504	2.6
121.10150	5.8
123.08111	2.9
123.11680	1.6
124.42747	1.7
128.06331	2.0
129.07018	5.8
131.08560	9.4
133.10146	5.9
135.08064	30.1
135.11746	4.4
143.04332	1.7
143.08617	5.0
145.10190	6.3
147.04437	6.6
147.08084	4.3
147.11726	2.1
149.09676	3.2
149.13277	3.0
157.10162	5.5
159.11748	3.8
161.09653	5.8
171.11687	1.8
173.13284	2.3
177.12704	1.7
185.13321	2.8
189.12762	1.9
199.14865	2.2
203.95105	2.2
214.64098	1.7
217.15878	11.4
227.17938	2.5
231.13828	3.7
244.09558	1.8
273.18564	12.6
291.19534	42.6
309.14883	5.7
309.21426	4.2
309.25745	2.0
310.07120	2.4
323.54965	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.38665	1.5
53.03958	1.7
53.89133	1.3
55.01877	6.5
55.05515	27.1
57.03439	2.3
57.07100	1.6
59.05007	1.7
65.03933	1.8
67.05511	19.3
69.03425	3.5
69.07069	12.6
71.05074	3.0
77.73341	1.3
79.05495	17.6
81.03413	2.9
81.07064	22.7
83.04986	3.9
83.08617	14.8
85.06540	2.2
85.98630	1.5
91.05492	9.6
91.60738	1.2
92.46956	1.5
93.07061	12.1
95.01318	1.7
95.04974	5.8
95.08610	14.0
97.06539	2.9
97.10181	23.0
105.07014	8.7
105.12457	1.5
107.04989	2.8
107.08597	11.4
107.92377	1.5
109.06510	2.3
109.10199	7.3
111.04438	1.8
111.08066	2.6
117.07020	2.6
119.08606	9.7
121.06527	3.7
121.10172	5.7
123.04439	2.3
123.08076	7.1
125.09637	13.7
129.06998	1.9
131.08585	6.4
133.06505	3.4
133.10126	4.0
135.08090	4.4
135.11720	2.8
137.09688	2.2
143.08533	3.2
145.10175	6.5
147.04468	1.6
147.08060	6.4
147.11711	3.5
149.09698	1.3
153.09097	2.0
156.02130	1.5
157.10091	2.2
159.08089	2.0
159.11780	1.8
161.09679	1.7
163.11237	3.5
165.09161	4.8
175.11203	1.9
185.13286	1.5
189.11252	9.8
189.12782	2.1
199.11272	1.6
223.13359	2.9
231.13818	4.2
245.19002	2.0
255.17567	2.3
273.18533	14.3
285.70276	1.4
291.19562	100.0
292.19962	2.3
309.20724	8.4
310.07169	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	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
54.87458	0.2
55.01865	0.4
55.05510	0.8
57.03443	1.2
57.07066	0.4
59.05003	0.3
63.45395	0.2
65.03931	0.8
67.05518	1.3
69.03079	0.4
69.03439	5.9
69.07065	1.3
71.01352	0.7
71.04979	0.7
73.02931	0.4
75.91139	0.2
79.05493	0.9
81.03429	3.1
81.07067	2.8
83.04995	0.4
83.08622	0.4
85.02911	3.8
85.06529	0.4
88.49638	0.2
91.05487	10.4
91.63218	0.2
93.07054	1.2
95.04981	0.4
95.08617	1.9
95.77595	0.2
97.02902	13.5
97.06527	0.4
97.10156	0.4
99.04459	0.8
100.55656	0.2
101.02386	0.6
103.05449	0.2
105.07045	1.3
107.05006	0.3
107.08598	1.0
109.02876	0.7
109.06543	0.5
109.10172	0.8
111.08078	0.5
113.05949	0.3
117.07043	0.5
119.04954	25.2
119.08596	1.1
121.10132	0.9
123.08103	0.3
123.11711	0.8
125.09668	0.3
127.03931	1.0
129.07016	0.4
130.35114	0.2
131.08559	0.7
133.10136	0.8
135.11740	0.7
137.13240	0.3
143.08578	0.4
144.72769	0.2
145.02849	0.3
147.04422	100.0
148.04784	1.1
149.09492	0.2
149.13264	0.3
157.10153	0.6
159.11710	0.3
161.09651	0.2
165.05496	3.5
169.10143	0.2
171.11769	0.4
173.09579	0.2
177.05563	0.5
185.13322	0.9
193.46487	0.2
213.12750	0.6
220.05391	0.4
221.05931	1.0
231.13879	2.0
235.07556	0.6
248.04787	0.3
249.05347	0.4
263.07080	0.7
266.05750	0.3
277.08691	0.3
281.04425	0.4
290.54330	0.2
291.08707	2.2
291.19638	0.6
291.26746	0.3
294.05209	0.4
309.03867	0.3
309.07236	1.4
309.10342	3.1
309.20618	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	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
54.96898	0.2
55.01871	0.3
55.05504	0.5
56.54893	0.3
57.03449	1.7
61.02911	0.2
65.03940	0.6
69.03431	7.5
69.68568	1.2
70.06589	0.3
71.01361	0.7
71.04982	0.9
74.06079	0.4
75.83740	0.3
79.05502	0.2
81.03424	3.2
81.07070	0.3
84.08174	0.4
85.02913	4.0
91.05484	8.4
97.02898	15.7
99.04454	1.3
101.02362	0.8
109.02865	1.0
119.04947	24.6
127.03919	1.5
147.04416	100.0
148.04753	1.0
149.05983	0.3
165.05495	5.5
231.13652	0.3
237.14926	0.9
270.34103	0.2
291.08685	2.5
309.09714	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	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01892	0.3
55.05514	0.5
57.03441	0.5
61.02935	1.2
61.03197	0.2
65.03946	0.6
67.05507	0.6
69.03432	3.3
69.07067	0.8
71.05006	0.2
71.37602	0.3
74.85856	0.2
79.05502	0.5
81.03429	1.4
81.07066	1.4
83.05011	0.2
83.08642	0.3
85.02932	1.1
85.06554	0.2
91.05488	7.8
93.07047	0.4
95.04969	0.2
95.08614	0.8
97.02901	1.2
99.04440	0.2
99.08047	0.2
105.07054	0.6
107.04957	0.5
107.08601	0.6
109.02899	0.5
109.06535	0.2
109.10168	0.5
111.08107	0.3
117.07018	0.2
119.04955	22.0
119.08580	0.3
119.69494	0.1
120.05267	0.3
121.10158	0.3
123.08078	0.2
123.11744	0.4
127.03932	1.7
128.82495	0.2
131.08566	0.3
133.10155	0.2
135.11734	0.2
145.02863	0.2
145.10204	0.2
147.04419	100.0
148.04790	1.1
157.10059	0.2
165.05519	1.7
165.06870	0.4
167.83287	0.2
177.05493	0.3
207.07889	0.2
220.05147	0.5
221.05971	1.7
231.13838	0.2
235.07590	0.5
238.06128	0.3
248.04703	0.3
249.05505	1.1
249.09222	0.2
263.07071	0.4
266.05759	0.6
273.18640	0.2
277.05045	0.6
281.04590	0.2
281.08234	0.2
281.11740	0.2
291.08640	1.1
291.19592	0.4
294.05191	0.5
299.08936	0.2
309.07452	2.4
309.10043	1.6
309.21231	0.2
309.27759	0.2
318.96176	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
57.03447	1.4
65.03941	0.9
69.03076	0.4
69.03432	6.6
70.98179	0.8
70.98563	0.2
71.01334	0.9
71.04977	0.5
81.03427	2.8
85.02911	4.3
85.88551	0.2
90.94265	0.3
91.05482	10.2
97.02898	16.6
97.40119	0.3
99.04446	0.7
101.02393	0.5
109.02879	0.9
119.04951	25.1
127.03908	1.1
134.79953	0.3
147.04416	100.0
148.04761	0.9
157.96075	0.3
165.05470	4.6
243.00702	0.3
249.07654	0.4
291.08658	2.5
309.04147	0.4
309.09695	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01873	0.4
55.05502	0.6
57.03432	0.6
61.02924	0.4
65.03941	0.7
67.05496	0.5
69.03433	3.6
69.06734	0.3
69.07074	1.7
70.13169	0.9
71.04981	0.3
73.02905	0.2
79.05468	0.5
81.03425	4.2
81.07055	1.6
83.08617	0.6
85.02913	2.9
85.06540	0.5
85.69495	0.2
91.05488	10.1
93.07039	0.7
95.08621	1.2
97.02891	0.9
97.06502	0.2
97.10203	0.3
99.04487	0.3
107.05001	0.3
107.08633	0.6
109.02884	1.7
109.10155	0.9
111.08086	0.5
119.04952	23.6
121.10186	0.4
123.04469	0.3
123.11692	0.5
127.03939	1.4
133.10129	0.2
135.11662	0.2
137.13260	0.3
147.04417	100.0
148.04744	1.0
165.05486	2.7
221.05939	0.3
269.96326	0.3
277.08884	0.3
284.47824	0.2
291.08655	4.1
291.26865	0.3
309.09906	1.9
309.27936	0.6
323.54959	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	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.35355	0.3
56.74123	0.3
57.03431	1.2
58.16045	0.3
65.03937	1.0
65.55133	0.3
69.03435	5.9
70.64410	0.6
70.64787	0.6
71.01347	0.3
71.04998	0.5
73.02925	0.3
77.56551	0.3
81.03421	3.0
85.02913	4.5
91.05489	10.1
97.02901	13.1
99.04434	0.8
101.02375	0.8
102.72272	0.3
109.02859	0.5
119.04952	25.4
120.08124	0.4
127.03917	1.3
147.04419	100.0
148.04793	0.9
152.07123	0.3
165.05489	4.2
169.90128	0.3
190.64624	0.3
195.48854	0.3
249.07487	0.4
278.81830	0.3
291.08627	3.2
309.03973	0.6
309.09744	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	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
54.70932	0.3
55.01856	0.7
55.05511	2.1
57.03418	0.9
57.07072	0.6
61.80007	0.3
65.03940	1.1
65.92007	0.3
67.05508	2.8
69.03430	5.5
69.06724	0.3
69.07069	4.5
71.01369	0.3
71.04990	1.1
71.10253	0.3
71.20298	0.6
73.02909	0.4
77.03919	0.3
79.05486	1.3
81.03420	9.6
81.07059	6.7
83.04988	0.5
83.08628	2.0
84.83838	0.3
85.02910	4.4
85.06550	1.2
91.05486	11.8
91.65825	0.3
93.07043	3.0
95.05006	0.4
95.08612	5.5
97.02907	2.3
97.03480	0.4
97.06545	1.1
97.10168	0.8
99.04449	0.9
99.08096	1.3
100.11241	0.3
105.07003	1.7
107.04945	0.4
107.08603	2.5
109.02880	3.9
109.06509	0.5
109.10171	2.6
111.08106	1.9
111.11733	0.7
118.92876	0.3
119.04949	25.6
119.08577	0.9
121.02842	0.5
121.10139	1.3
123.04334	0.3
123.08074	0.5
123.11725	2.3
125.09617	0.5
127.03918	1.2
127.07561	0.3
133.10156	0.6
135.11670	1.2
137.13268	0.8
139.11183	0.7
145.10178	0.3
147.04414	100.0
147.11749	1.0
148.04744	1.4
149.13249	0.9
151.14868	0.3
153.12737	1.2
163.14896	0.3
165.05489	3.7
165.12804	0.7
167.14349	0.3
177.05487	0.6
183.13847	0.5
220.05263	0.4
221.06021	1.1
231.13783	0.6
233.15211	0.3
237.05600	0.4
242.07251	0.3
249.05380	0.6
263.06982	0.4
266.05627	0.8
273.18509	0.5
277.05249	0.4
282.31705	0.3
291.08640	7.8
291.19543	1.0
291.26834	0.6
294.05225	0.5
309.03909	0.8
309.07657	1.9
309.10468	0.5
309.27905	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01869	0.8
55.05517	0.5
57.03457	1.0
65.03929	0.8
65.53228	0.4
67.05503	0.8
69.03432	4.5
70.52248	1.2
71.04985	1.1
73.02946	0.4
75.54888	0.4
79.05504	0.9
81.03423	13.4
81.07057	0.8
85.02914	4.1
85.70048	0.5
91.05483	10.6
93.07032	0.6
95.05012	0.7
95.08556	0.5
97.02874	1.7
99.04444	1.1
105.07048	1.6
107.04942	0.6
109.02885	3.8
115.05458	0.5
115.35390	0.4
119.04950	27.8
119.08562	0.6
122.03610	0.6
127.03903	1.7
129.07005	0.7
133.06494	0.8
137.05998	5.0
146.03662	0.9
147.04417	100.0
148.04759	0.9
157.06586	0.7
161.05978	9.9
162.06735	0.6
165.05475	3.7
165.06888	0.9
178.07840	1.6
179.08522	0.5
182.15442	1.5
185.06023	1.9
193.10066	0.9
196.76834	0.4
202.07780	5.5
203.08575	7.1
205.06435	0.7
206.07310	1.4
210.14882	0.8
219.08058	1.6
220.08772	1.0
221.06013	1.1
221.09601	2.2
231.08055	10.9
232.08827	0.6
234.06804	0.9
235.07478	0.8
248.08330	2.4
249.05374	0.8
249.09198	4.5
259.07578	5.6
260.08334	1.3
263.10742	1.1
271.34778	0.4
276.07840	1.2
277.08600	20.1
278.09033	0.7
281.11853	0.6
291.08478	11.5
294.08981	0.5
309.04254	0.8
309.07724	1.5
309.11197	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	309.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36703	1.4
56.96572	33.7
57.03426	1.6
61.02903	1.6
69.03422	2.6
70.98129	42.2
71.58707	2.7
71.95290	1.4
74.97604	5.0
79.09310	1.3
85.02927	7.5
86.97588	1.3
88.99172	41.1
94.22092	1.4
97.02902	5.1
98.97588	67.0
101.42458	1.4
107.00198	7.9
110.97570	3.2
114.65036	1.6
114.87163	1.5
116.98637	23.1
127.03934	2.7
128.98610	46.4
131.00208	6.9
133.91579	1.4
134.99660	6.4
143.00226	1.6
146.99667	93.8
149.01208	5.9
158.99649	14.5
159.05209	1.8
165.00737	52.4
177.00731	11.7
183.01808	3.9
189.00729	100.0
207.01784	75.5
207.03836	1.7
219.01762	4.1
225.02887	3.2
228.07567	2.0
230.03264	2.2
237.02855	2.6
249.02895	3.3
253.02425	2.3
267.03925	10.0
267.06360	2.2
282.48593	1.9
285.05054	2.2
309.04813	13.2
309.07837	2.2
321.08502	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	309.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83802	0.2
53.03941	0.5
53.49899	0.2
55.01865	0.3
57.03430	0.9
59.53470	0.2
62.22898	0.2
65.03938	0.6
69.03434	2.8
69.66076	1.6
71.01328	0.2
71.05009	0.6
73.02908	0.4
79.05504	0.2
81.03417	2.7
81.07077	0.3
85.02913	2.0
91.05488	9.1
93.05005	0.2
97.02890	4.4
99.04455	2.1
100.07639	0.4
107.04960	0.5
109.02901	1.4
113.93841	0.2
116.35516	0.2
119.04955	23.3
120.05303	0.3
127.03915	1.6
146.19687	0.2
147.04422	100.0
148.04802	0.9
165.05492	7.4
165.06876	0.4
291.08707	1.9
291.13150	0.3
309.04086	0.5
309.09784	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	308.2219
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05509	0.6
55.11919	0.3
57.07069	0.9
66.04710	0.4
67.05497	0.9
69.03392	0.3
69.07060	0.9
71.08621	0.9
71.58932	0.3
71.59349	0.3
72.08128	0.3
76.74195	0.3
79.05484	1.2
81.07061	2.0
88.07623	0.3
91.05497	0.7
93.07006	0.5
94.04204	2.5
94.67387	0.3
95.04990	0.5
95.08620	1.2
99.08099	0.4
104.81822	0.3
107.08599	0.6
109.06524	0.8
110.35565	0.3
122.03657	7.1
122.04516	0.3
137.05983	100.0
137.13251	0.6
138.06325	1.0
144.60400	0.3
165.12744	1.0
172.16977	1.1
173.28777	0.3
184.16939	2.2
291.23154	1.6
304.04501	0.3
308.05695	0.3
308.09027	0.5
308.22760	0.5
308.25842	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	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03947	1.2
55.01888	1.1
55.05513	11.4
56.80044	0.6
57.07079	4.0
59.05006	1.9
60.51547	0.6
65.03965	1.0
67.05511	8.5
69.03415	4.5
69.07071	100.0
71.00452	0.7
71.04998	0.9
71.08637	2.6
72.40997	0.6
72.46231	0.7
73.02920	1.2
73.28767	0.6
76.87772	0.7
79.05502	5.4
81.03446	1.2
81.07063	30.8
82.24948	0.6
83.04993	2.8
83.08613	5.9
85.06549	3.0
91.05490	5.3
93.07047	14.4
93.07626	1.0
95.04966	2.1
95.08610	25.8
97.06547	6.0
97.08897	0.6
97.10161	3.6
98.10299	0.7
99.08146	0.7
105.07033	10.6
107.08595	9.3
109.06544	3.0
109.10161	11.8
109.10838	1.1
111.08094	2.8
111.11726	25.5
113.09664	0.7
119.08585	6.5
121.10143	13.3
123.08060	1.6
123.11711	11.9
125.09639	1.5
131.08611	1.7
133.10136	3.7
135.11694	5.9
137.09666	1.1
137.13268	2.4
139.11188	24.3
143.08638	1.1
145.10175	1.9
147.08087	1.0
147.11702	5.0
149.13251	5.9
151.11185	3.4
151.14879	1.0
153.12744	1.4
157.10066	0.9
159.07957	0.7
159.11757	2.1
161.13316	2.8
163.14894	2.9
165.12749	6.3
167.14354	1.2
173.13307	1.2
175.14890	2.6
177.12752	1.0
177.16467	1.6
187.14890	2.3
189.07103	2.2
189.16492	1.4
191.17996	1.3
203.18082	0.8
206.07359	1.5
210.05795	0.7
213.61986	0.9
215.18127	1.4
217.06474	3.8
234.06879	2.8
245.22855	1.4
247.07733	0.7
249.09087	3.6
271.24112	3.3
275.07053	8.2
277.08658	4.5
277.25369	2.7
289.08459	3.2
289.18018	1.5
289.25189	7.1
292.07352	1.2
307.06085	1.2
307.09613	9.2
307.19019	1.0
307.21085	0.7
307.26465	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	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03946	0.9
55.01871	1.5
55.05514	14.2
55.42712	0.6
57.03437	0.8
57.07077	5.4
59.04984	1.7
65.03944	1.1
67.05521	7.5
69.03429	4.2
69.07070	100.0
71.04995	1.9
71.08638	2.3
71.18500	1.2
73.02927	1.2
79.05497	5.4
81.03458	1.9
81.07063	29.0
83.04993	2.6
83.08626	6.7
85.06551	2.4
89.11306	0.7
91.05489	4.9
93.07046	13.7
95.04986	1.6
95.08609	24.4
97.06525	4.5
97.10175	4.2
97.32698	0.7
99.08131	1.1
105.07037	9.2
107.04945	1.0
107.08607	9.9
109.06538	2.2
109.10169	10.2
111.08095	1.2
111.11723	25.6
112.87134	0.8
117.07024	1.1
118.36534	0.8
119.08588	6.7
121.06511	1.1
121.10141	13.4
123.08073	1.7
123.11721	10.9
125.09666	1.8
127.03927	0.9
131.08585	1.7
133.10126	3.7
135.11690	4.6
137.13307	2.5
139.11188	27.0
145.10121	2.0
147.04478	1.3
147.11711	5.7
149.13269	5.1
149.25276	0.7
151.11211	2.7
151.14854	1.4
153.09132	0.7
153.12769	1.9
159.11685	1.7
161.13284	3.1
163.03973	1.4
163.14883	2.6
165.12746	5.1
173.13400	1.4
175.14848	2.1
177.16472	0.7
179.14426	0.8
187.14897	1.4
189.07030	2.6
189.16338	1.8
191.17960	1.4
201.16420	1.6
203.17975	1.0
206.07233	1.7
215.17987	1.6
217.06569	4.3
219.08168	0.9
234.06796	2.0
245.22803	1.5
246.06813	1.3
247.07634	2.0
249.09087	4.5
271.24249	3.2
275.07037	10.7
277.08600	6.8
277.25348	2.5
289.08447	3.9
289.18115	1.1
289.25256	7.2
292.07333	1.0
307.06235	1.4
307.09625	10.2
307.26422	14.9
313.64551	0.7
325.39133	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	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.98441	0.5
53.03950	1.5
55.01880	1.0
55.05517	11.2
56.00284	0.5
57.03448	0.7
57.07083	3.5
59.05000	1.7
64.40975	0.6
64.97281	0.5
65.03945	0.8
67.05507	6.5
68.02523	0.6
69.03432	4.5
69.07072	100.0
70.61263	1.3
70.61594	0.8
71.04990	1.6
71.08631	2.2
73.02911	0.9
73.03716	0.6
79.05504	4.8
79.95670	0.6
81.03422	1.6
81.07063	30.7
83.04999	3.0
83.08631	4.6
85.06573	2.3
91.05494	4.7
93.07048	14.1
95.04980	2.2
95.08613	23.5
95.09230	0.9
97.06549	6.2
97.10173	4.3
98.21422	0.7
105.07031	9.2
107.04971	1.2
107.08612	9.1
109.06538	2.4
109.10168	12.5
111.08129	2.3
111.11724	27.0
113.06015	0.5
117.07053	0.9
119.08587	5.9
121.10149	15.2
123.08103	1.6
123.11720	10.4
125.09648	1.2
125.13252	0.8
131.08607	1.6
133.10115	3.3
135.08058	0.7
135.11717	4.8
137.06001	0.7
137.13300	2.2
139.11189	25.7
145.10181	1.4
147.04420	1.1
147.11697	5.3
149.13264	5.0
151.11232	2.7
151.14865	1.4
153.12790	1.4
159.11758	2.4
160.97383	0.6
161.13249	3.1
163.03944	1.0
163.11186	0.7
163.14874	2.2
163.93051	0.6
165.12770	5.7
169.15981	0.7
173.13347	1.5
175.14911	2.1
177.16466	1.1
179.14418	0.9
187.14919	1.6
188.76282	0.5
189.06961	3.7
189.16415	0.9
191.17935	0.8
193.15947	0.6
201.16495	1.0
203.17999	0.9
206.07379	1.0
215.18056	1.6
217.06541	4.1
218.07317	0.8
219.08150	1.3
234.06866	2.1
235.07393	0.6
245.05988	0.8
245.22755	0.6
246.06767	0.9
247.07700	2.4
249.09203	4.6
256.06183	0.7
271.24234	3.0
275.07047	10.4
275.09763	0.9
277.08673	6.0
277.25391	2.0
289.08530	4.6
289.18210	1.2
289.25241	7.1
307.09647	10.3
307.15469	0.9
307.19162	1.1
307.26425	13.8
308.26575	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	307.2274
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03955	5.6
55.01891	5.0
55.05518	25.7
57.03450	28.7
67.05174	6.6
67.05514	100.0
69.07065	21.7
71.60225	4.9
79.05497	72.5
81.07066	84.7
83.08630	8.1
91.05477	31.2
93.07061	70.4
95.04955	5.0
95.08602	63.9
97.06537	5.2
98.98479	5.0
105.07033	20.4
107.08613	28.1
109.10165	28.6
117.07024	10.2
119.08567	11.7
121.10149	26.3
123.11687	9.9
131.08575	10.1
133.10156	10.1
135.11708	12.5
145.10094	11.9
147.11674	7.4
149.13248	6.0
159.11757	10.7
172.92303	4.0
215.18007	13.2
222.23781	3.9
307.15326	8.9
307.22702	94.2
307.28101	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	307.227
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03949	2.7
55.01870	2.4
55.05511	16.7
57.03436	2.0
57.07073	3.2
58.13964	1.3
59.04990	3.6
65.03937	1.4
67.05509	26.2
69.03419	1.8
69.07074	15.3
71.04993	12.1
71.58556	2.3
73.06557	1.6
73.80432	1.3
77.03940	1.5
79.05505	22.5
81.03423	2.1
81.07064	34.1
83.04973	4.2
83.08617	8.1
85.06549	4.2
86.09702	2.0
87.08102	2.1
87.09996	1.6
91.05484	36.7
93.07047	27.0
95.04971	8.9
95.08608	33.9
97.06533	9.0
97.10184	3.7
98.98433	1.9
99.08109	2.7
103.05471	1.7
105.07037	40.7
107.04960	2.4
107.08591	23.1
109.06532	15.2
109.10165	15.5
110.07321	2.1
111.08084	3.5
117.07023	10.2
119.08593	32.9
121.02865	9.6
121.06494	9.6
121.10168	12.3
122.05994	1.6
123.08041	12.5
123.11722	4.2
123.86923	1.3
125.09610	2.8
129.07051	3.7
131.08588	14.1
133.06531	1.8
133.10133	19.4
135.08070	8.9
135.11688	6.4
137.05997	1.8
137.09604	9.9
137.13329	1.7
139.11194	2.5
141.07024	2.1
143.08569	3.9
145.06451	1.8
145.10123	9.4
147.08110	2.2
147.11687	16.2
148.12144	1.4
149.05939	1.4
149.09631	6.8
149.13292	3.9
151.11182	17.9
155.08566	2.7
157.06566	1.6
157.10153	3.7
159.11713	9.5
161.09676	2.3
161.13318	5.3
163.03937	4.8
163.07646	1.6
163.11198	9.8
163.14903	1.6
165.12755	7.0
167.10820	1.6
169.10107	3.9
171.11667	2.7
173.09659	1.8
173.13235	7.1
177.12784	4.7
177.16409	1.6
179.14339	3.5
183.11736	4.0
185.13266	1.9
187.14870	2.1
191.14328	2.3
197.13245	4.8
199.14885	1.6
201.12804	1.7
213.05498	3.7
215.18065	1.4
219.13800	1.7
221.10747	1.7
229.19603	4.1
233.15549	1.9
239.17950	10.4
247.20628	4.8
257.19003	9.9
271.16965	1.7
275.06796	1.5
275.20090	52.8
279.11346	2.9
289.18121	1.6
307.10831	8.8
307.15436	3.5
307.22742	100.0
307.26187	4.3
325.11868	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	307.2268
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03937	5.7
53.83056	1.4
55.01872	2.7
55.05516	24.8
57.03440	29.9
57.07069	2.6
65.03931	5.5
67.05508	91.0
69.07072	18.3
71.04975	3.7
79.05495	66.4
81.03426	2.2
81.07063	81.3
83.04986	5.0
83.08629	11.5
83.44212	1.2
85.06532	3.7
91.04965	2.4
91.05486	32.4
93.07051	67.0
95.04975	7.5
95.08613	54.1
95.09239	1.8
97.06549	3.2
97.10142	2.1
98.20741	3.7
99.08097	2.3
105.04524	1.3
105.07041	21.6
107.08600	26.4
107.09704	1.5
109.06514	4.0
109.10164	27.8
111.08134	3.0
117.07023	8.2
119.08603	16.6
121.02943	1.3
121.10149	31.7
123.08089	2.5
123.11726	11.4
129.07001	1.5
131.08569	11.0
133.10133	13.8
135.08101	1.2
135.11707	17.6
137.06006	2.2
137.09605	1.6
137.13251	2.1
145.10156	9.2
147.11687	7.7
149.09680	3.1
149.13272	8.4
151.11105	2.2
152.90639	1.2
157.10130	1.6
159.11688	7.0
163.03914	3.1
163.11259	2.0
173.13300	5.5
177.12846	1.7
183.11607	1.4
185.13295	1.6
187.14877	2.7
189.16447	1.3
205.39684	1.8
215.17984	13.9
222.07732	1.3
233.19029	4.2
250.08784	1.3
289.21408	1.3
307.08530	1.8
307.22714	100.0
308.05588	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	307.2268
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03940	5.3
55.01873	2.7
55.05517	30.1
57.03441	31.6
57.07065	2.9
57.26787	1.9
65.03947	5.3
67.05506	100.0
69.07071	19.2
70.85487	2.3
71.05005	2.6
71.59737	2.9
72.04510	2.8
77.97349	2.0
79.05497	62.8
81.06573	4.1
81.07058	76.9
83.04971	4.7
83.08623	6.8
85.06590	2.7
91.05487	32.0
93.07053	63.9
93.49546	2.2
95.04978	6.6
95.08606	56.7
97.06526	4.9
97.10177	4.0
98.06050	3.7
99.08134	4.1
105.04498	2.6
105.07042	19.6
107.08608	28.5
109.06512	5.3
109.10165	18.0
111.08095	1.9
117.07051	6.9
119.08578	12.2
119.65238	2.2
121.02898	2.4
121.10145	24.1
123.08115	2.9
123.11737	8.0
128.75603	1.7
130.39243	2.3
131.08563	9.8
131.61519	1.9
133.10153	14.0
135.11700	12.4
137.06030	3.7
138.06337	4.9
138.44658	1.8
145.10136	8.1
146.19441	2.1
147.11707	5.2
149.09669	3.0
149.13281	7.2
158.33534	2.4
159.11711	10.4
163.03917	6.5
163.11336	2.3
173.13297	6.1
178.09207	1.9
215.17961	10.2
233.19087	3.2
236.51868	2.0
275.20218	2.1
289.21768	2.2
307.15424	3.0
307.22778	75.4
307.27994	17.4
307.31082	2.7
308.29520	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	307.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
53.28355	1.0
55.01872	5.8
55.05517	24.3
57.03444	7.8
57.07089	1.7
59.04977	1.5
62.34653	1.0
66.78791	1.1
67.05511	17.7
69.03448	2.3
69.07071	8.5
69.51771	2.6
69.52170	7.6
71.05004	2.2
79.05106	1.6
79.05499	15.9
81.03412	4.3
81.07064	19.8
83.04971	1.7
83.08630	11.1
85.06530	2.3
91.05489	16.9
93.07059	12.2
95.04975	10.0
95.08633	10.1
97.06543	15.1
97.10175	14.8
98.97577	1.3
99.08075	1.3
103.05482	2.6
105.04559	1.5
105.07040	9.2
107.04964	4.3
107.08598	13.2
109.06526	9.5
109.10166	9.8
111.08089	2.2
117.07013	3.8
119.08601	6.9
121.06519	100.0
121.10141	4.5
123.08092	3.6
123.11677	2.9
125.09638	8.9
125.91344	1.2
128.06204	1.2
128.62997	1.0
129.07001	3.2
131.08578	4.7
133.06480	1.5
133.10115	5.2
135.08051	9.7
137.05998	1.4
137.09644	5.1
137.13237	1.5
143.08553	1.9
145.06483	2.2
145.10149	3.5
147.08066	6.8
147.11708	3.2
149.13252	1.6
149.57529	1.1
155.08554	1.3
157.10170	2.9
159.08066	34.1
161.09633	3.4
161.13295	1.4
163.03925	2.0
163.07523	2.4
163.11220	1.7
169.10115	2.2
170.47217	1.3
171.11736	2.0
173.09685	1.5
173.13336	1.8
175.11234	2.6
177.09169	2.1
183.11636	1.3
185.09692	5.8
187.14856	1.9
189.11234	1.8
197.09720	2.0
197.13196	1.5
199.11295	2.3
205.15921	1.2
211.11256	2.3
215.14308	2.9
217.06633	1.4
223.13316	1.7
233.15431	3.1
246.67274	1.2
253.15924	8.0
261.18600	1.9
263.08246	1.5
271.16882	7.1
275.06976	1.4
277.08588	1.9
279.11316	3.6
289.08786	1.4
289.17978	24.3
292.07397	1.4
307.05969	1.1
307.10776	8.7
307.18939	7.3
307.26361	3.5
321.23068	1.3
323.76956	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	307.1906
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03956	9.1
55.01869	18.3
55.05516	63.1
57.03444	35.8
57.07067	5.2
67.05508	56.7
69.03455	10.7
69.07080	25.6
70.90640	4.6
71.48606	5.6
71.48940	9.4
79.05497	69.1
81.07058	58.4
83.04969	7.0
83.08636	22.1
85.15932	5.7
91.05488	43.0
93.07077	31.1
95.04971	24.3
95.08615	33.5
97.06543	7.1
97.10187	48.9
98.98479	10.1
105.07032	44.8
107.04962	33.3
107.08611	38.1
107.93567	6.0
109.06531	22.8
109.10158	32.8
117.07035	29.6
119.08575	40.3
121.02881	11.6
121.06548	14.3
121.10155	16.6
123.08045	10.3
123.11757	7.4
125.09650	44.4
128.06241	11.7
129.07019	15.0
131.08588	21.5
133.06532	6.5
133.10117	13.8
135.08081	37.1
135.11707	7.7
137.09586	7.4
137.13280	6.0
142.07817	10.9
143.08611	12.3
145.06500	10.4
145.10161	20.0
147.08066	12.6
147.11717	9.3
153.09131	13.4
155.01054	6.1
155.08540	12.5
156.09317	4.7
157.10158	20.5
159.08084	49.6
159.11688	14.9
161.09669	8.5
163.03912	14.4
163.07578	9.9
169.10175	17.3
171.11676	11.1
173.09660	8.1
173.13313	11.6
175.89333	5.5
179.58722	5.5
181.10103	13.4
182.10728	6.3
183.11751	18.3
185.09666	9.4
185.13264	11.0
187.11310	6.4
187.14816	14.4
189.11253	20.3
189.12807	7.2
193.10190	6.1
194.10938	5.4
195.11749	11.4
197.13278	11.1
199.11206	7.2
199.14865	9.0
207.11702	8.0
209.13310	17.1
211.14821	10.1
215.14386	15.2
221.13245	7.7
223.14893	15.2
233.13295	9.9
233.15434	28.8
235.14700	6.4
237.12840	6.4
237.16431	12.0
239.17937	9.8
244.07187	5.8
251.14305	8.4
251.18132	7.9
265.19739	5.9
271.16983	29.2
279.21204	7.2
289.17950	100.0
295.17825	9.9
307.15561	9.4
307.20569	66.9
307.24200	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	307.1904
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01862	14.2
55.05518	49.8
57.03443	44.2
57.07060	10.8
59.04995	16.7
62.30276	8.1
67.05514	81.6
69.07064	29.2
69.76141	8.2
71.05004	10.5
71.08620	14.0
71.23326	18.8
79.05496	51.4
81.07058	89.1
83.04982	43.1
83.08644	14.9
85.06536	12.0
89.06048	11.8
91.05499	48.9
93.07043	79.4
94.07355	12.0
95.04951	24.5
95.08598	56.3
97.06544	23.7
97.10204	11.4
98.98479	15.8
99.08079	14.1
103.05492	10.4
105.07052	44.0
107.04964	56.9
107.08598	34.2
109.06532	36.5
109.10163	27.7
111.04436	20.5
117.07027	19.5
119.08595	42.9
121.02893	18.6
121.06525	19.1
121.10149	24.4
121.42576	6.9
122.03705	10.3
123.08106	21.8
123.11739	9.3
131.08569	35.3
132.54349	7.3
133.06506	12.4
133.10133	29.1
135.04427	18.7
135.08089	11.5
135.11716	10.5
137.05991	100.0
137.09575	12.6
138.06339	99.8
139.07518	9.1
141.44661	8.5
143.08603	10.4
145.06564	17.7
145.10121	29.7
147.08070	8.3
147.11731	9.0
149.13280	11.6
150.13481	8.0
155.01076	8.9
155.08653	11.6
157.10123	15.9
159.08067	16.8
159.11659	16.1
161.09621	8.3
161.94078	7.2
163.03914	11.3
163.11200	14.8
165.12724	43.4
166.13094	25.8
171.11749	10.7
171.15924	7.7
173.09552	8.3
173.13289	14.6
177.12819	12.0
183.11758	14.5
187.14763	11.7
195.12068	9.4
205.15845	13.5
215.14299	9.0
229.12219	12.8
233.15375	30.2
249.08975	8.7
261.18567	19.3
271.16995	23.7
275.20099	19.7
277.08524	22.7
289.17978	47.6
289.21271	12.7
290.22006	38.3
307.09778	21.9
307.15436	23.8
307.19034	7.8
307.22498	12.0
307.24750	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	307.1753
Annotation	Creoside II
Peak:m/z	Relative Intensity
55.01873	3.7
57.03444	3.1
61.02916	2.4
63.41179	2.4
67.05510	57.3
69.03432	23.7
70.06577	3.7
70.97655	6.2
71.04991	8.3
72.08127	3.1
73.02890	3.4
73.78708	2.4
77.74851	2.2
79.46728	2.2
81.03419	15.3
81.07066	7.4
83.08617	7.0
85.02897	12.1
85.06560	13.2
91.05503	3.1
95.08601	2.9
99.04454	5.1
109.10159	54.4
114.10287	3.8
117.03416	9.0
117.05514	3.0
118.06528	5.7
127.11192	13.9
131.12878	3.0
145.02850	28.1
145.07603	7.5
147.09177	7.0
149.05991	4.0
173.07076	13.2
175.08693	7.0
177.05495	41.9
191.08167	100.0
289.11798	4.6
290.15128	5.5
307.06165	2.8
307.12903	70.4
307.17624	26.1
308.13187	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	307.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74428	0.8
71.58383	1.0
75.81061	0.7
78.95273	0.8
91.40224	0.7
98.90826	0.7
98.97578	2.3
101.00909	1.9
113.87857	0.7
119.01945	6.3
158.99844	1.1
177.00955	11.6
201.00987	1.5
217.04135	1.6
219.02043	17.8
225.01070	1.5
243.02020	9.6
261.03088	100.0
262.03137	2.7
284.04648	2.6
308.15652	0.9
328.04337	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	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21124	3.8
59.91206	4.0
62.62952	4.2
70.68504	13.3
80.59972	4.0
112.89614	39.1
113.17975	4.5
114.89357	19.7
157.25157	4.3
161.02846	4.6
205.49426	4.1
230.70001	4.7
259.50830	4.3
272.95026	5.1
307.07571	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	307.1752
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
55.05508	6.8
62.88704	5.2
65.69292	5.0
67.05508	75.7
69.03444	13.9
69.74274	36.4
71.04994	5.9
72.08139	8.4
79.05487	14.0
81.03421	12.5
81.07046	23.2
83.04973	7.0
85.02921	20.5
85.06557	20.0
91.05491	11.2
93.07047	9.0
95.04985	14.0
95.08610	12.8
97.02931	8.7
98.21476	10.6
105.07041	11.3
107.04944	6.8
109.06561	12.3
109.10173	65.3
114.10307	16.0
116.07006	5.4
117.03385	16.7
119.08552	7.9
123.08044	8.4
127.11209	18.1
131.08592	9.3
144.04414	6.8
145.02855	70.5
145.04811	16.5
147.11775	6.0
149.05966	5.8
161.09650	7.4
162.24007	6.3
163.03918	28.7
163.07477	5.8
170.77953	6.1
173.85628	6.1
177.05472	100.0
189.01785	9.6
191.08093	5.7
247.17361	5.5
266.14978	5.3
289.11771	9.4
289.17929	7.0
290.14911	8.5
307.06046	20.5
307.12613	9.2
307.17633	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.5
57.07080	5.0
58.06601	2.3
68.05035	0.7
69.07060	0.6
69.54313	2.8
69.54700	0.6
70.06596	21.5
71.08627	3.2
72.08163	2.3
84.08152	3.2
86.09711	3.1
86.10184	0.5
88.07639	8.2
89.06044	0.7
93.93710	0.4
102.09186	4.5
105.50710	0.4
114.09147	0.8
117.60664	0.4
120.30550	0.4
132.10211	9.3
146.11769	9.7
156.17514	2.8
182.19073	1.2
200.18610	0.3
200.20100	15.8
244.22739	40.1
288.25366	1.6
306.26401	100.0
307.26620	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	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01887	1.1
55.05514	7.4
57.07070	0.5
65.03936	0.5
67.05507	10.7
67.15378	0.2
69.03416	0.4
69.07071	7.6
71.08617	0.4
71.59552	0.4
72.04520	0.6
74.63620	0.2
79.05495	2.8
81.07059	8.6
82.06574	0.4
83.05009	0.2
83.08624	2.0
84.04523	0.3
85.05290	2.5
86.06073	1.1
91.05463	1.3
93.07037	2.0
95.04928	0.3
95.08603	5.3
95.09164	0.5
95.35938	0.3
95.58250	0.2
96.08115	0.3
97.06533	0.3
97.10151	0.7
98.06058	15.0
99.06845	0.4
105.07035	1.0
107.08624	1.5
109.06527	0.2
109.10166	1.9
110.09672	0.4
112.07616	2.0
117.07032	0.3
119.08582	0.7
121.10126	0.7
123.11697	0.6
124.07593	0.4
124.11201	0.4
126.09135	0.6
131.08565	0.3
133.10146	0.6
135.11661	0.3
137.04996	0.4
137.05981	5.9
138.09099	0.4
140.10718	0.5
147.11690	0.3
149.09618	0.3
152.10690	0.3
154.12228	0.3
157.10091	0.3
159.11787	0.3
166.12363	0.3
168.13884	0.6
168.22609	0.3
170.15372	0.3
180.13788	0.3
182.15446	0.6
194.15527	0.2
196.16995	0.6
197.29817	0.2
208.16997	1.2
222.18524	0.6
224.20135	0.3
236.20134	0.7
275.20065	0.5
306.27911	100.0
307.23029	0.3
307.28217	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	305.2223
Annotation	Serratinidine
Peak:m/z	Relative Intensity
51.27416	1.2
55.05516	2.0
59.06116	2.5
60.04520	5.2
65.95920	1.1
67.05506	6.0
69.07076	5.8
71.19641	1.2
76.04021	2.6
79.05495	7.5
81.07066	10.7
83.08630	2.0
87.92108	1.1
88.16590	1.6
91.05486	10.6
93.07049	9.6
95.08620	13.7
105.07038	17.5
107.08591	11.6
109.10166	8.2
119.08607	14.4
121.10159	8.7
123.11716	2.7
131.08595	1.8
132.08151	1.2
133.10147	12.2
135.11639	1.9
145.10130	3.0
145.35263	1.4
147.11710	17.7
159.11720	1.5
161.13306	5.8
189.16359	2.8
200.33902	1.3
203.17995	9.1
207.14914	2.0
217.17055	1.5
239.45726	1.4
245.20103	7.2
246.18555	3.8
247.21643	10.5
248.22073	1.9
263.21210	40.6
287.21158	1.6
305.22238	100.0
306.94809	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	306.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03476	1.7
54.30459	0.7
55.05512	2.7
56.05042	7.9
56.72505	0.7
56.94187	0.8
56.96584	1.0
58.06597	0.7
68.05032	3.3
68.67908	0.6
69.03427	0.9
70.06596	20.4
71.05003	2.0
71.07375	7.6
71.10706	0.9
72.04504	0.8
72.08160	96.4
73.08500	0.8
83.72023	0.7
84.04513	2.1
84.08141	1.9
85.02908	0.9
86.06073	1.5
87.09232	2.9
88.07639	63.2
97.03996	1.6
98.06070	2.8
98.09702	1.1
98.97598	1.5
102.80924	0.7
107.04964	3.4
108.08101	1.4
110.09685	9.6
113.08399	0.8
113.10763	1.3
114.09202	1.0
116.98595	0.9
119.04930	1.6
122.06042	1.9
125.10761	2.9
126.09164	59.3
126.40839	0.8
127.09577	0.8
143.11807	100.0
147.04416	7.7
147.08049	1.6
157.09740	2.1
164.07097	5.3
167.11916	0.7
169.08311	1.2
169.09737	19.7
176.10707	30.2
186.12413	3.8
200.07048	1.0
209.12834	1.1
247.14563	4.6
277.08469	0.7
277.15607	0.8
289.15399	1.2
300.56076	0.9
306.18140	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	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91425	0.3
66.04718	0.4
66.52512	0.3
69.07068	1.1
69.45316	2.4
71.28091	0.3
72.19710	0.3
79.05486	0.9
81.07047	1.0
87.70495	0.3
91.05479	0.6
93.07066	0.7
94.04192	2.8
95.08547	0.3
97.06543	0.4
107.08593	0.7
109.10174	0.7
114.09152	0.4
122.03659	7.8
123.06902	0.3
126.09196	0.4
133.10144	0.8
135.11667	0.7
137.05983	100.0
138.06311	0.6
147.11740	0.4
152.51530	0.3
153.12764	1.5
170.15396	2.9
182.15442	2.3
194.86110	0.3
280.43097	0.3
306.20633	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	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
67.05501	1.4
69.03455	0.3
71.04813	0.5
77.03933	0.5
79.05493	0.6
81.07063	1.5
91.05482	3.4
93.05777	0.6
93.07045	2.5
94.06571	1.3
95.04961	1.6
95.08609	0.4
96.08135	0.9
97.06544	0.4
98.97597	0.8
105.04539	0.4
108.04465	0.4
108.08145	1.9
117.84542	0.3
122.06046	5.3
124.07601	8.8
126.05583	1.6
136.07587	100.0
137.07922	0.7
138.09157	0.8
140.07060	0.8
150.05486	0.7
152.07079	17.6
164.07082	71.9
165.07343	0.4
166.08632	0.9
170.08154	3.8
182.08145	14.6
184.09726	0.6
214.12947	0.3
242.11658	0.4
287.13916	3.4
305.05426	0.4
305.14853	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	305.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53601	0.4
55.05493	1.2
57.07077	0.8
67.05478	1.6
69.03431	0.5
69.07043	1.4
69.45615	3.6
79.05476	1.4
81.07063	2.8
83.08644	0.9
91.05461	1.5
93.07037	1.9
95.04993	0.7
95.08609	2.8
97.06528	0.5
98.97576	0.8
105.07031	2.2
107.08585	1.8
109.06479	0.5
109.10154	2.2
117.65514	0.5
119.08569	1.2
121.10131	1.0
123.08105	0.6
123.11690	0.8
133.10123	1.6
135.11729	1.2
137.05916	0.5
137.13242	0.7
143.08528	0.5
145.10100	0.8
147.08186	0.6
147.11690	0.9
149.13202	0.8
149.39053	0.4
157.10094	0.8
159.11652	0.6
161.13248	0.7
163.14806	0.5
165.07056	0.9
189.07008	44.3
190.07761	2.9
191.08562	4.5
193.06488	0.6
205.06476	3.0
217.06516	39.4
218.07233	1.8
219.08098	6.3
221.06006	1.6
229.07787	0.5
233.05972	1.2
235.07579	1.3
245.06041	5.9
246.06755	2.0
247.07570	87.1
248.07938	1.7
249.09195	2.2
259.07550	1.3
262.06360	0.9
263.12814	0.6
275.07047	100.0
276.07535	2.3
277.08713	0.7
278.47144	0.6
287.16589	0.6
299.27167	0.5
304.28552	0.9
305.08112	75.1
305.24948	0.9
305.28574	1.1
306.08420	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	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.05520	0.9
55.22322	0.4
61.38270	0.4
67.05516	0.8
69.03431	0.4
71.04979	0.4
71.13655	0.7
79.05511	1.0
81.03420	0.5
81.07062	2.1
81.55779	0.4
83.94404	0.4
91.05476	3.5
93.05771	0.7
93.07047	3.1
94.06635	0.7
95.04985	1.2
96.08150	0.6
97.06566	0.6
105.07056	0.5
106.07345	0.4
107.08596	0.8
108.08116	2.3
109.06506	0.4
122.06043	3.0
124.07607	9.5
126.05540	1.3
130.05006	1.0
131.04918	0.5
135.08049	0.5
136.07587	100.0
137.07976	0.8
138.09096	0.6
140.07040	1.2
143.10725	0.4
145.10141	0.5
150.05573	0.7
152.07080	20.2
161.09654	0.4
164.07079	74.4
165.07385	0.4
170.08119	4.9
176.14339	2.4
182.08142	15.7
280.89594	0.4
287.13843	2.8
305.08081	0.4
305.11530	0.6
305.14874	1.6
305.18082	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	304.1504
Annotation	N-(N-(3-Amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid
Peak:m/z	Relative Intensity
53.03937	0.6
55.01864	1.1
56.04785	1.1
56.05037	13.0
56.96569	4.1
57.03424	2.4
58.06602	4.8
61.02923	5.0
67.55677	0.5
68.05028	3.2
69.03421	4.0
69.54369	4.4
70.06202	0.8
70.06594	14.9
71.04966	0.8
72.08141	1.9
73.02917	3.4
74.02438	0.9
74.06073	1.0
81.03423	0.8
82.06579	1.6
84.04481	1.7
84.08138	2.0
85.02424	0.9
85.02908	7.8
85.07672	5.0
86.03229	1.4
86.06073	15.3
87.04442	0.6
94.06586	0.6
96.08141	0.8
97.02892	2.4
97.07663	0.8
98.09698	1.2
98.21539	1.1
98.97579	6.3
99.04481	1.3
100.03989	4.5
100.07645	1.1
101.00881	1.9
102.05550	8.4
104.01294	1.0
109.02865	0.8
110.97552	1.0
111.09155	1.1
113.07112	0.8
114.05535	55.3
114.09174	0.9
115.03940	0.6
116.98630	3.3
119.01884	4.2
124.07612	6.2
127.03948	4.4
128.02370	0.8
128.07050	3.2
128.98615	2.5
129.06609	4.6
130.05003	1.9
131.01877	2.0
133.03494	1.2
134.02348	0.8
134.99669	0.7
139.08661	2.6
140.02252	0.7
141.10237	10.5
142.08669	6.4
142.96460	0.8
143.01848	1.3
143.02867	1.4
143.08092	1.0
145.01596	0.8
145.04945	1.5
145.09714	2.9
146.02211	0.7
146.99681	1.3
150.03416	0.6
151.08714	1.9
152.03308	0.8
155.01845	1.4
157.03455	0.8
157.06078	0.9
157.09756	5.2
158.99696	2.0
159.11353	0.8
161.02855	2.8
165.00732	0.9
168.06563	1.0
168.11368	3.6
169.09724	1.6
170.03401	1.3
170.12845	1.2
170.99567	0.8
173.01538	0.8
173.02965	2.4
174.99170	0.6
175.03448	1.2
177.00719	1.2
182.03502	0.7
183.02345	0.8
183.52519	0.8
184.04482	0.9
185.09230	100.0
186.07603	6.0
189.00725	2.0
191.03951	2.1
191.54060	1.0
193.00198	0.9
196.10822	4.8
200.04463	1.4
200.54561	1.2
201.00768	1.5
201.04178	0.8
203.03992	1.4
203.10344	3.7
205.04533	1.3
206.04514	1.6
207.01842	0.8
213.03285	0.7
213.53548	2.5
214.03792	0.8
214.11880	2.5
215.00432	1.4
215.04936	6.1
215.10266	2.5
219.01837	0.9
220.02019	0.9
230.98141	0.7
237.02852	1.2
240.13377	5.5
245.05063	0.9
248.01619	0.6
249.51375	0.6
258.14511	2.7
262.70145	0.6
268.12982	2.3
286.13992	49.0
304.07953	1.9
304.15054	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.05516	3.3
56.05041	14.7
56.85247	2.7
56.96565	5.1
58.06597	9.3
58.99273	2.8
61.02930	4.3
62.33906	2.5
65.87483	2.6
66.11255	2.2
68.05003	4.6
69.03429	13.5
70.06593	23.7
71.05025	3.7
71.58000	3.1
72.08157	13.2
74.06068	8.4
81.03420	6.8
81.07063	5.4
84.04490	5.9
84.08145	3.2
85.02896	15.2
85.07659	6.1
86.06062	14.1
86.09711	32.0
88.03977	3.8
96.08135	7.0
97.02895	9.9
98.09640	3.8
98.97598	7.4
100.03976	4.1
102.05544	8.9
109.02940	2.6
114.05528	53.6
114.09211	5.6
116.98623	4.1
119.82429	2.8
123.04368	4.1
124.07595	69.1
124.08701	24.4
127.03921	18.4
128.07027	2.9
129.06607	4.3
136.07603	3.0
141.10219	13.7
142.08638	81.3
142.09760	29.1
145.92726	2.7
157.09683	4.6
157.13390	5.7
182.99696	5.2
184.04361	5.0
185.09227	100.0
185.12770	3.0
186.07675	4.8
187.14438	9.1
196.10843	3.7
201.00739	12.7
201.12376	4.3
203.10362	3.9
206.11699	4.3
214.12021	3.8
215.13887	3.4
215.84453	3.0
219.01807	2.9
237.02882	4.2
240.13496	3.8
268.12817	3.6
285.69608	3.0
286.14044	49.8
304.14948	11.6
304.20645	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	304.1392
Annotation	pipemidic acid
Peak:m/z	Relative Intensity
53.98947	1.4
55.01846	1.6
56.05035	3.9
67.05495	2.3
67.12698	1.9
69.03449	2.0
69.07062	1.9
70.06581	5.6
71.50656	2.0
72.08151	12.0
74.06068	2.2
79.05480	6.1
82.06583	1.9
84.08142	2.6
85.02902	6.1
86.06062	2.9
91.05477	2.8
95.04964	2.8
97.02885	4.2
102.05534	1.7
105.07037	1.7
105.55678	1.5
107.04964	100.0
114.05538	13.6
114.09161	5.1
116.54642	1.8
126.09123	1.8
136.07578	4.8
142.08632	2.7
145.09769	1.7
165.09059	1.9
170.06119	1.7
185.09232	21.0
197.10402	3.0
207.08725	12.0
212.12622	4.9
221.10515	1.7
222.11101	4.5
224.08926	2.4
225.09792	2.8
225.61563	1.9
239.11366	3.9
240.12106	9.8
258.13272	2.6
268.11612	20.0
271.15665	1.7
286.12512	27.8
304.13919	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
53.64309	1.4
54.35777	1.4
55.01882	3.8
55.05534	2.0
55.47516	1.6
56.05027	2.5
57.03432	5.8
58.06592	2.4
60.04535	9.4
60.94770	1.5
61.02914	4.1
68.05025	1.4
69.03438	13.2
69.07074	46.0
70.06595	6.8
71.04974	1.5
71.06719	1.8
71.07051	2.8
71.08635	18.8
72.08150	5.1
73.02911	2.3
74.06113	1.8
79.05487	2.1
81.03432	8.5
83.08617	1.9
84.04513	8.4
84.08154	2.3
85.02910	75.5
86.02417	6.6
86.06091	2.2
86.09699	1.8
91.05469	1.9
96.04483	2.7
96.08108	2.6
97.02904	46.1
97.06551	6.4
99.04451	3.3
102.05565	1.9
103.03949	5.3
105.07019	2.5
109.02897	13.7
111.00945	1.5
114.05545	8.9
114.09172	22.8
119.08578	1.8
122.06029	1.7
123.04456	3.0
123.51706	1.7
124.07633	3.7
126.01068	18.5
127.03934	14.5
130.05064	2.3
130.06497	2.7
138.09167	3.8
142.05016	4.9
142.08644	100.0
144.02115	2.5
145.04985	6.6
147.04414	2.3
156.10202	3.0
165.09152	2.2
170.04555	1.9
184.09709	86.1
185.09198	7.4
202.71382	1.7
208.09691	19.4
220.09758	2.7
222.11301	1.8
223.07582	2.8
228.07866	1.7
238.61716	1.7
250.10773	11.8
268.11914	1.9
286.12457	4.9
287.10291	1.9
304.13821	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	303.207
Annotation	CAY10435
Peak:m/z	Relative Intensity
57.84986	0.6
60.21703	0.6
67.05496	2.0
69.07058	2.1
69.07421	0.6
71.59184	0.9
79.05478	2.5
81.07046	4.3
83.08642	0.8
91.05475	4.1
93.07061	3.4
95.08610	6.4
97.03967	0.7
105.07037	7.0
107.08593	4.4
109.10154	2.3
117.06992	1.0
119.08586	6.2
120.08093	2.0
121.10139	1.8
122.09589	0.7
131.08582	0.8
133.10149	6.9
134.09630	0.9
135.11668	0.9
143.08475	0.7
145.10132	0.9
146.09642	0.7
147.11714	3.7
157.10165	0.7
159.11623	1.1
161.13240	1.5
174.12785	1.4
183.02954	1.1
189.16400	2.8
191.15491	0.9
226.97667	0.7
230.19043	4.1
243.18300	0.7
247.21729	2.1
261.19760	5.0
275.21252	7.8
303.04968	1.2
303.20676	100.0
304.21216	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	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
55.01869	0.5
55.05512	1.6
65.03941	1.4
67.05508	2.2
69.03441	1.0
69.07059	0.5
69.45868	2.9
71.04993	0.6
72.43359	0.3
75.91631	0.3
79.05497	1.3
81.03418	0.7
81.07053	2.0
83.04973	1.8
91.05482	2.2
92.05008	1.5
93.03402	0.5
93.07043	2.4
94.06564	1.9
95.04990	1.3
95.08623	1.8
97.02914	0.5
101.21465	0.3
105.07018	2.5
107.04941	0.6
107.08630	1.8
107.26445	0.3
108.08126	0.5
109.06520	0.6
109.10169	0.9
110.06072	0.5
111.08136	0.4
117.07027	0.9
118.06546	0.4
119.08598	1.2
120.04446	1.8
121.06530	0.8
121.10154	1.6
122.06037	3.1
123.04418	0.4
124.07616	0.9
128.06206	0.4
129.07019	0.8
130.06534	0.3
131.04900	0.5
131.08571	1.2
133.06461	0.4
133.10127	1.5
135.08102	0.6
135.11658	0.7
136.07585	2.1
137.06009	0.7
138.09093	2.4
141.06990	0.6
141.09106	0.5
143.08586	1.4
144.08093	0.6
145.06538	0.4
145.09081	0.4
145.10155	1.6
146.06058	0.6
147.08063	0.4
147.11668	1.3
148.03954	1.2
149.09633	0.6
149.92258	0.4
157.08875	0.4
157.10135	1.2
159.08112	0.5
159.11705	0.5
161.09660	0.6
161.13264	0.4
164.07083	2.3
165.07013	0.8
166.05008	0.6
167.08727	0.5
168.00537	0.4
169.08900	0.9
169.10178	0.7
171.10448	0.7
171.11729	0.6
172.07535	0.5
172.11217	0.5
173.07123	2.7
173.13263	0.4
174.09171	0.9
175.08659	0.6
175.11185	0.5
177.05626	0.7
182.08209	0.4
183.02893	0.4
183.08032	0.6
184.07716	0.4
184.11217	1.3
185.07048	0.5
185.08405	0.5
186.09180	0.7
186.11465	1.6
186.12840	0.9
187.08678	1.8
187.14900	0.5
188.10777	0.9
189.10216	1.8
191.11836	0.5
197.08371	0.8
198.09164	1.0
199.08563	1.0
200.09444	1.3
201.06593	0.7
201.10374	1.9
201.13884	6.3
202.12291	0.7
211.07562	0.5
212.10744	5.0
213.06602	1.2
213.10237	1.5
214.10762	1.3
214.12288	2.7
215.11827	1.1
216.10237	0.5
216.12506	0.4
227.08163	1.5
227.11803	0.6
228.08908	2.5
229.09686	2.9
229.13377	37.3
230.11714	1.3
239.11827	1.5
240.10175	1.4
241.09756	1.5
242.10442	3.2
243.11261	0.6
255.11296	1.9
257.12866	100.0
258.11020	3.1
258.13644	0.7
259.14487	4.6
271.09586	0.6
275.13852	1.0
280.97232	0.4
285.12341	9.3
285.14963	0.6
285.18942	0.4
285.22061	0.8
285.91928	1.0
303.05377	0.8
303.13367	24.4
303.22992	2.0
304.11450	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	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68310	0.7
55.52665	0.6
56.23734	0.8
57.03450	1.0
67.05531	1.7
67.78704	0.6
69.03454	1.7
69.07094	0.7
71.05009	1.7
71.18616	0.6
71.18944	0.8
72.08183	0.9
73.06590	1.1
79.05508	1.3
80.05766	0.6
84.08181	1.3
85.02924	1.7
89.06084	1.3
94.06549	3.6
107.04952	1.1
108.08185	0.8
110.06090	1.0
122.06081	2.0
124.83057	0.8
134.06039	1.6
136.07626	1.3
139.56557	0.7
142.06573	0.6
143.08556	0.7
145.07671	0.8
145.08707	0.9
146.05957	0.6
146.08452	0.9
146.69441	0.7
150.05495	1.4
154.06526	1.3
162.05521	2.1
168.08121	1.9
169.08881	1.4
170.08389	1.5
171.09131	0.8
173.07133	1.8
180.08069	1.1
181.07573	1.4
181.08957	1.4
182.08304	1.7
182.09689	2.2
183.09225	2.9
184.07446	0.8
184.11246	1.8
185.07104	1.5
185.10818	0.8
194.09692	3.9
195.05637	1.6
195.09143	6.8
196.09932	19.0
197.10695	6.6
198.07823	1.1
199.08765	2.2
205.07663	1.1
206.08395	40.5
209.07123	4.7
209.10686	3.7
210.07813	1.7
210.11502	3.7
211.08766	3.9
211.12305	20.9
212.09326	1.8
212.11038	0.8
213.10199	2.0
219.09157	2.2
220.09967	8.5
221.10741	16.8
223.08652	12.3
224.09459	15.8
225.10271	2.9
226.11058	1.1
227.08179	9.1
227.11784	1.3
229.13351	2.2
237.10248	11.0
238.11003	14.7
239.08334	3.6
239.11804	40.2
241.09628	3.4
252.08875	4.1
254.10577	2.6
255.11374	1.2
256.11987	0.8
257.12863	12.3
267.11288	81.8
268.11636	1.5
272.11581	4.3
275.13867	2.5
285.12335	100.0
286.12595	1.1
303.05014	2.8
303.13419	52.9
303.22794	1.3
304.13708	1.4
309.16431	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	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93920	0.4
53.03937	0.9
55.05512	1.0
67.05514	1.6
67.87983	0.4
68.85292	0.4
69.03439	0.7
69.07076	1.2
76.04007	0.6
79.05492	1.3
81.03423	0.9
81.07062	1.8
83.08608	0.5
85.08427	0.4
85.45401	0.4
91.05471	0.9
92.37261	0.5
93.07065	1.3
94.06569	0.9
95.08605	1.8
97.06542	0.5
103.15288	0.4
105.07037	1.2
107.08605	1.4
108.04462	0.9
109.10220	0.6
111.08094	0.5
113.09566	0.4
115.05472	0.4
119.04887	0.5
119.08611	0.9
121.10146	0.7
122.06021	3.7
128.06184	0.5
128.86234	0.5
129.06979	0.8
130.06578	0.6
131.07346	0.6
131.08510	0.9
132.08070	0.6
136.07578	3.0
139.29674	0.4
139.35948	0.4
143.08595	0.9
144.08064	1.0
145.02814	0.7
145.10139	0.4
146.09671	0.9
147.11687	0.8
148.07585	0.6
149.05940	0.4
150.05527	1.2
153.01855	1.8
153.07025	1.2
154.06529	0.7
155.07341	1.8
155.08505	0.6
157.08914	0.6
157.10139	0.9
158.06006	0.5
158.09659	0.6
161.07124	0.9
161.13354	0.5
165.07019	0.7
169.08885	0.7
170.05957	0.7
170.09660	7.1
171.09174	0.8
171.10445	0.6
172.07593	1.0
172.09946	2.1
172.11266	1.5
173.08403	0.6
174.09172	1.4
175.08620	2.3
177.05478	1.1
180.08014	0.5
183.06772	1.7
184.07533	0.7
184.11240	1.1
185.08363	0.8
186.09196	1.0
186.11397	0.7
187.08762	1.2
187.12315	11.6
188.10721	0.8
197.08356	0.7
197.10715	0.6
198.09151	29.6
199.08766	1.1
200.09235	4.5
200.10886	1.4
201.13904	0.9
212.10741	5.6
214.08682	0.8
215.11815	23.7
216.10175	0.9
222.59918	0.5
225.10248	1.0
226.08650	7.3
226.10733	0.6
228.08942	0.7
229.13367	1.5
230.10420	0.8
231.11365	0.7
239.12001	0.7
240.10231	3.1
241.09865	1.1
241.13377	1.1
243.11307	91.4
244.11725	1.3
257.12823	7.0
260.05896	0.7
267.11246	0.6
285.12341	100.0
286.12692	2.1
288.05298	1.2
303.04672	0.9
303.08096	3.9
303.13409	10.4
303.23169	1.8
303.26547	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	303.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01871	7.3
55.05512	1.7
57.03426	2.0
58.30906	1.3
63.23175	1.4
65.03928	4.2
67.05517	7.1
68.99792	5.7
69.03427	4.2
69.07065	3.5
71.01353	2.6
71.04994	4.1
71.16450	3.1
74.17398	1.4
79.05493	6.6
81.03438	8.6
81.07053	7.2
84.04510	2.6
85.02910	4.7
85.06546	2.4
86.09692	5.2
87.00829	5.4
87.10043	2.1
91.05485	98.3
93.07041	4.2
95.04932	3.9
95.08602	8.2
97.06539	1.8
103.05482	12.6
105.07030	5.3
107.04953	1.7
107.08608	4.1
109.02895	11.2
109.06506	1.9
109.10161	3.0
113.02382	2.0
115.05452	12.8
115.78817	1.4
116.92162	1.6
117.07032	11.9
118.06535	6.3
119.08532	3.2
121.10147	4.5
123.08137	2.1
123.11774	1.6
125.27491	1.5
127.03926	11.0
128.06232	58.8
129.07007	65.1
130.06531	5.7
130.08633	2.2
131.04942	9.3
131.08575	5.4
132.08115	4.0
133.06477	2.4
133.10153	1.8
136.07576	5.1
137.06039	1.7
141.07001	27.2
142.07863	1.4
143.04935	2.3
143.08565	67.6
143.11790	2.8
144.08043	2.6
144.12161	2.3
145.06450	14.2
145.10158	2.5
146.06024	11.6
147.04404	2.1
147.08006	2.2
147.11649	3.5
152.06190	8.9
153.01833	5.3
153.06996	41.3
155.04958	3.3
155.06029	4.6
155.08595	6.3
156.13892	4.1
157.06470	5.7
159.08037	2.0
164.98424	1.6
169.06479	22.2
171.04398	1.6
171.08055	54.3
173.05980	3.9
174.14980	2.4
181.06488	57.4
183.08044	1.7
185.05948	4.1
188.07082	14.3
189.09084	2.3
189.16359	1.7
197.05951	23.4
199.07544	100.0
201.05513	2.2
211.07576	2.7
213.00385	1.6
217.08609	30.2
225.05516	3.5
229.04993	6.4
237.27982	1.6
239.07097	1.9
242.11818	3.8
243.06555	7.7
257.04416	4.9
259.06152	4.9
259.14426	7.8
275.05524	5.0
285.04041	5.1
285.07690	4.4
285.12222	4.1
286.16495	1.5
303.04929	7.1
303.08823	19.7
303.13116	3.5
303.19110	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	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75702	12.1
56.96555	24.4
61.02915	15.3
65.36707	14.3
66.69850	12.5
69.03429	23.5
69.84819	14.3
69.93254	39.8
69.93655	19.6
71.33211	13.6
85.02913	32.5
97.02905	15.2
98.97578	45.8
112.89596	50.2
114.89352	24.1
122.25990	15.7
135.59055	14.3
141.05255	49.5
204.07990	15.2
213.03487	21.9
303.07944	48.3
303.10522	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	303.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	34.1
61.02935	3.5
69.03431	11.8
70.06609	4.2
70.14831	10.5
72.08158	3.0
73.02908	4.1
84.08147	4.1
84.96051	5.4
85.02928	16.7
96.55204	2.5
97.02892	10.3
98.20870	3.3
98.97590	100.0
107.04971	7.7
110.07180	12.7
110.97599	7.3
116.98628	49.7
119.01984	4.2
123.04430	2.7
124.95799	5.4
127.03967	4.1
128.98640	9.5
130.08664	4.6
134.99661	12.7
136.99136	3.3
140.03391	6.0
140.95299	2.9
141.03796	8.2
141.05316	5.1
143.00188	4.6
146.99651	6.3
155.00250	3.9
158.99667	35.6
159.03287	3.9
161.01299	4.5
177.00748	50.4
177.04300	5.1
177.06039	3.3
181.19278	3.0
182.96309	6.3
185.09251	4.6
187.04642	4.6
195.01874	3.8
201.00748	3.2
201.06064	6.1
219.01785	16.8
237.02757	19.7
303.08069	14.0
303.10797	5.4
303.13602	8.1
321.08682	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	303.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57206	3.1
53.03939	8.1
55.01871	7.5
56.96569	36.2
57.03445	27.0
61.02931	60.0
66.57262	3.3
69.03438	49.9
70.06597	6.2
70.98130	4.9
71.04979	7.0
71.58588	4.5
73.02930	32.3
81.03416	10.9
84.96066	4.0
85.02916	88.4
87.04474	5.5
89.00790	6.3
91.03959	5.4
97.02908	40.5
98.01346	4.1
98.97592	100.0
99.04478	8.9
104.01279	6.9
109.02874	7.6
110.01272	19.9
110.97583	15.8
114.05550	8.0
116.98641	40.3
119.01820	37.4
124.95546	10.8
127.03935	36.0
128.02324	38.3
128.98622	23.0
131.01811	5.2
134.99658	10.3
137.02876	9.6
140.98616	6.7
141.03061	3.9
142.96545	5.6
143.00134	6.1
145.04944	12.3
146.99722	20.0
149.02795	5.1
152.02386	8.2
153.01276	5.2
156.98157	5.0
158.99641	26.9
160.02122	4.1
161.01253	7.1
161.02782	10.1
164.86066	3.8
165.00780	5.4
168.01833	8.8
169.02654	11.8
170.96072	9.3
170.99670	14.1
174.01872	10.2
174.99167	15.7
177.00731	16.7
177.02373	10.5
179.02322	7.6
182.03412	13.0
183.02394	29.4
184.97597	11.3
185.09221	9.1
186.99144	7.6
188.97095	15.2
189.00697	24.5
189.02246	5.4
191.03899	28.8
192.02890	14.5
193.00235	10.3
200.04410	23.7
201.00739	13.5
202.98676	18.3
203.53719	7.2
204.02884	39.4
205.00206	12.2
207.01822	13.4
209.04994	8.1
212.97092	4.9
213.03401	94.4
213.05299	7.9
213.53630	6.6
217.00240	11.5
219.01712	20.6
222.03954	29.8
222.05730	5.7
230.98103	21.1
232.99686	4.4
233.54840	7.2
235.01254	10.1
237.02884	16.9
244.99838	8.3
247.01253	7.6
248.99155	8.9
263.00766	11.3
275.00763	7.0
293.01804	6.9
305.01938	8.2
323.02899	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	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26841	0.5
56.60855	0.4
56.96568	3.3
69.74490	0.5
70.13058	2.0
82.99921	0.5
84.96037	0.6
98.97587	17.6
99.97912	0.7
101.00874	2.4
102.96877	0.9
116.98631	11.8
117.98974	0.5
119.01929	5.8
120.10120	0.5
120.97902	0.9
128.98630	0.6
134.99672	5.6
137.02954	1.5
144.92166	0.6
158.99805	1.1
172.94281	0.6
177.00958	13.7
178.00945	0.6
179.00714	0.6
182.99666	1.8
189.00702	0.6
191.02367	0.5
201.00865	4.0
213.00711	0.5
217.04106	2.2
218.03911	0.5
219.02010	21.3
220.02106	2.0
221.01878	1.6
225.00902	2.6
232.96626	0.5
234.99965	0.8
243.01974	9.8
244.02278	0.7
260.99927	4.5
261.03064	100.0
261.97119	0.6
262.00360	0.9
262.03183	9.5
263.03183	1.3
275.04608	0.9
278.96915	1.2
279.00644	6.4
279.97919	2.8
280.01050	1.0
284.04669	2.5
284.99805	1.9
296.97723	0.6
297.98743	1.1
301.00943	0.6
302.97415	0.5
303.00833	2.4
303.04553	1.7
303.05560	1.6
320.98251	1.3
324.52234	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.05506	8.7
56.40158	3.0
57.03436	5.7
61.02925	7.0
67.05501	12.3
69.03428	13.0
69.59757	6.6
69.60161	18.9
70.06595	50.7
72.08160	72.2
73.02932	4.8
79.05499	9.9
81.03436	15.2
81.07060	9.3
84.04538	2.8
84.08156	4.6
85.02417	6.1
85.02912	89.7
86.09718	39.5
87.04459	2.9
88.46611	2.6
91.05483	5.3
94.06590	3.7
95.04961	7.3
97.02900	49.0
98.20804	5.2
99.04458	3.9
103.03964	5.8
108.08128	13.5
109.02894	14.9
112.07630	20.1
115.08779	3.0
122.06040	8.1
125.06018	8.6
126.05531	8.3
126.09149	4.3
127.03905	22.5
127.92574	2.7
128.07074	6.5
130.06540	12.9
132.10229	7.7
136.07574	26.7
140.07071	47.0
143.11815	31.6
145.05002	10.7
152.07085	18.5
154.08678	7.7
157.13388	11.4
164.07115	25.0
171.11255	15.9
178.08649	16.2
182.08148	100.0
185.12766	7.2
203.13988	5.2
204.38647	3.4
206.08202	34.5
206.21082	3.0
218.08176	3.5
225.09001	3.2
236.09218	4.6
248.09241	10.6
256.09555	4.1
302.07449	3.7
302.10226	5.4
302.11310	6.6
302.12033	6.2
302.15393	11.1
302.21942	4.5
303.09006	4.3
303.12390	4.1
316.33157	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47663	1.2
55.01879	1.6
56.05063	1.3
57.03441	2.3
60.38274	1.2
61.02921	2.7
62.06052	1.3
65.03936	2.7
67.05509	41.5
69.03433	18.5
69.07069	11.6
69.51462	9.6
70.06599	7.0
72.08152	3.7
73.02911	1.7
79.30018	1.1
81.03426	7.4
81.07058	1.9
82.06573	1.3
84.04491	1.7
84.08157	9.9
84.90720	1.2
85.02913	47.8
86.09715	5.4
93.07112	1.4
94.06561	2.7
95.04977	57.1
97.02281	2.5
97.02903	41.7
98.06006	1.3
98.09683	1.5
99.04460	2.1
103.03954	4.2
109.02896	9.8
110.06010	1.4
112.07613	44.9
113.06012	4.9
124.07629	2.9
126.09171	1.5
127.03933	10.3
130.08611	2.0
136.07549	3.7
140.07072	100.0
145.04997	3.7
152.07115	1.9
154.08685	6.3
178.08673	3.9
182.08138	68.3
185.16479	1.5
206.08127	14.9
218.08200	3.1
226.97421	1.3
239.03281	1.7
248.09212	9.8
258.17020	2.4
267.38040	1.3
287.05127	2.9
302.07434	1.7
302.12381	3.5
315.94934	1.2
319.37497	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04184	1.3
57.03444	3.7
61.02923	2.3
67.05170	2.2
67.05508	36.6
69.03434	20.7
69.07078	9.6
69.52013	6.7
69.52426	3.1
70.06589	2.5
72.08158	1.7
73.02907	1.7
81.03415	6.4
84.04525	1.6
84.08158	4.7
85.02908	44.4
86.02464	1.4
86.09708	3.6
94.06589	1.9
95.04973	56.7
97.02897	41.9
103.03938	2.9
109.02879	6.3
112.07608	37.2
113.06010	3.8
124.07646	2.1
127.03902	7.7
129.10268	1.9
130.88043	1.3
136.07585	3.0
140.07068	100.0
145.04973	1.9
145.18857	1.6
154.08655	6.1
154.59874	1.4
164.07112	1.8
170.62535	1.3
178.08630	2.8
182.08131	63.8
183.26128	1.3
206.08170	15.7
210.71686	1.5
218.08188	1.9
236.09245	3.1
248.09210	11.1
251.00874	1.3
257.49393	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.2
55.12577	4.9
55.15250	4.0
58.26983	4.3
61.02912	5.4
63.32914	4.8
67.05500	11.4
69.03426	17.5
70.06596	47.1
71.38329	6.7
72.08154	58.8
73.02926	5.4
79.05473	7.1
81.03411	17.6
81.07060	14.9
82.47205	4.7
85.02911	99.3
86.09695	29.3
91.05476	17.3
95.04963	9.1
95.08620	6.8
97.02895	47.1
100.07635	4.2
103.03969	8.2
108.08136	13.7
109.02876	22.4
112.07615	14.0
117.06979	4.5
122.06039	8.0
125.05996	13.7
126.05551	7.8
126.09168	8.3
127.03922	21.1
127.49709	4.8
130.06520	16.0
136.07561	27.1
140.07079	56.7
143.11824	33.2
145.04919	8.6
150.09169	9.3
152.07169	22.0
152.08147	4.5
154.08650	4.9
159.08118	4.0
164.07074	35.3
171.11320	10.5
175.46693	4.0
178.08646	22.0
182.08136	100.0
182.11964	3.7
185.12929	6.6
206.08141	46.2
227.23022	4.6
232.38417	4.0
236.09068	5.0
248.09183	12.8
256.09573	5.6
287.05084	11.7
302.10895	9.1
302.15286	5.0
302.21634	5.4
303.05017	7.9
303.11887	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	302.1025
Annotation	CHEBI:69045
Peak:m/z	Relative Intensity
53.03932	1.0
55.05527	0.5
59.25613	0.4
65.03949	1.1
68.99748	0.6
70.06602	4.5
71.58361	0.6
79.05062	0.7
79.05501	13.6
81.03406	0.7
81.07037	0.9
82.04191	1.9
83.01356	0.8
83.62527	0.5
85.02892	1.1
86.09697	0.6
91.05488	28.6
93.07032	0.8
94.02928	0.8
95.04973	1.4
95.08661	0.5
98.97571	0.5
102.04641	0.5
103.05473	33.9
104.06253	1.1
105.07034	5.9
107.04960	13.0
110.03650	2.0
111.03215	1.1
111.04445	3.1
112.03965	0.5
112.07605	2.8
115.05441	0.5
117.05721	0.7
117.07019	2.3
118.06534	1.6
120.04452	0.9
120.08047	1.2
121.06521	1.3
126.05508	4.7
126.64748	0.5
129.06982	0.5
131.04933	10.2
136.03949	0.5
137.04718	0.6
138.03149	0.6
140.07018	0.9
141.07010	2.1
144.08087	2.0
149.06001	1.0
150.01863	2.2
150.05525	11.4
151.02654	2.3
152.03462	1.1
153.05524	0.8
153.06786	0.5
154.04996	10.0
155.03467	0.6
155.04854	0.5
155.08578	0.9
157.38428	0.5
158.09622	1.0
160.07613	0.8
165.04227	12.9
166.04883	0.5
167.07336	1.7
168.05672	1.0
168.08121	4.7
169.06458	0.8
169.08719	0.5
170.06088	0.7
178.04991	2.1
182.09669	1.4
183.08121	0.8
186.09154	1.3
195.06865	1.0
196.07599	4.8
197.06009	1.1
197.08185	0.5
198.23601	0.6
200.08342	3.0
200.10638	0.9
201.09125	0.8
203.62184	0.4
206.05997	0.9
207.06769	2.8
210.09119	3.1
211.07573	2.1
212.06995	0.7
213.07820	1.3
223.06401	2.9
224.06866	1.2
228.10178	5.4
228.12035	0.6
229.08537	1.0
238.08655	6.7
242.08070	1.0
256.09686	55.6
257.10086	1.0
258.05225	1.3
259.05591	6.8
274.10947	2.6
286.04608	0.6
287.05078	8.4
302.07315	13.5
302.10272	100.0
303.04861	1.6
303.10489	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	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
52.90229	0.7
53.03934	1.7
55.01857	1.1
55.05507	4.9
56.35057	0.6
57.03430	0.8
57.07059	2.4
65.03942	1.9
67.05510	7.1
69.03429	3.5
69.07072	10.2
71.04996	1.8
71.58346	0.7
71.58797	1.1
76.07922	0.7
79.05499	8.2
81.03423	3.5
81.07064	11.4
83.04971	2.7
83.08622	3.5
85.06544	0.8
91.05486	9.6
93.06493	1.0
93.07049	10.5
94.06593	0.7
95.04963	7.5
95.08616	12.1
97.06529	2.5
97.10184	1.5
99.00849	1.0
103.05483	1.1
105.07035	11.8
107.04933	2.7
107.08601	9.5
109.02882	0.8
109.06512	3.0
109.10165	7.4
111.04461	0.8
111.08070	1.5
111.11696	1.0
112.01575	0.9
115.05441	1.1
117.07063	3.9
117.11019	0.9
119.04954	3.5
119.07895	0.9
119.08602	9.1
120.04475	0.8
121.02883	4.4
121.06538	3.5
121.10162	6.1
123.00809	1.2
123.08085	1.6
123.11719	2.6
125.06045	1.3
125.09692	0.9
127.00302	0.8
128.06200	2.3
129.07001	4.3
131.04906	1.1
131.08585	7.7
133.06458	1.4
133.10164	6.4
135.08054	2.4
135.11679	3.4
136.07652	0.7
137.05966	1.1
137.09680	1.8
137.13280	1.3
139.07524	1.0
141.06995	3.0
142.07765	1.6
143.08572	8.3
145.06506	1.7
145.10139	9.7
147.04440	4.5
147.08049	2.1
147.11688	4.7
148.04048	0.8
149.09636	1.6
149.13261	2.1
151.11142	1.0
152.06227	0.9
153.07024	1.6
155.08603	4.4
156.09367	1.6
157.10175	6.2
159.08070	1.7
159.11708	7.3
161.09641	2.8
161.13258	1.9
163.03818	1.0
163.07471	1.6
163.11189	2.8
163.14816	1.5
165.06993	1.8
165.09091	1.5
167.07268	0.8
167.08549	1.6
168.00546	13.8
168.09276	0.9
169.06461	0.9
169.10104	3.9
170.46480	0.7
171.04465	2.0
171.08052	1.1
171.11646	5.3
173.09648	2.1
173.13306	4.3
175.11188	1.5
175.14827	2.7
177.05455	1.1
177.09142	1.5
177.12758	1.0
177.16402	1.0
181.04996	1.0
181.06477	1.2
181.10115	3.4
183.02919	0.8
183.11703	3.8
185.09636	1.0
185.13271	5.2
186.01605	8.6
187.08658	1.0
187.11214	1.9
187.14857	4.7
189.12769	1.0
189.16408	1.9
191.03441	1.0
191.10609	1.6
195.11699	3.1
197.13289	3.2
199.11131	2.1
199.14839	3.5
201.12737	1.5
201.16362	1.8
203.14305	0.9
205.12222	1.0
209.13266	2.4
210.09196	2.5
211.08815	1.1
211.14841	1.2
212.09509	2.6
213.12848	1.9
213.16438	3.3
215.14365	1.6
215.17909	2.1
217.12334	1.8
223.14854	1.9
225.16438	1.8
227.11815	10.5
227.14241	2.7
227.17960	1.9
231.13835	1.3
231.17528	2.0
238.08527	0.9
239.17958	1.5
240.08905	4.3
240.15144	0.9
241.09753	2.2
241.19525	3.1
253.19518	1.2
255.06885	1.5
255.11322	36.0
255.21146	4.7
257.12894	1.0
258.05243	1.3
265.19565	4.0
269.04590	2.0
271.20596	1.9
273.22226	2.0
283.10712	4.6
283.20569	12.3
286.04742	45.6
287.05060	1.8
301.07092	100.0
301.11359	7.8
301.21631	54.9
302.07404	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	301.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59177	0.4
56.45617	0.4
56.96568	100.0
57.03439	0.5
61.02932	0.9
63.25417	0.5
66.23333	0.4
69.03437	1.2
70.06600	0.8
70.94320	1.1
71.05021	0.5
71.95274	2.8
72.96054	7.1
73.02926	0.7
74.97584	2.6
81.03420	1.2
83.39587	0.4
83.97636	5.1
84.96046	5.1
85.02907	3.4
85.94589	0.4
86.09710	16.9
87.04483	0.5
87.10041	0.5
97.02909	1.5
97.99194	1.5
98.97592	9.0
98.98195	0.7
101.98666	1.2
102.97009	0.4
109.02898	0.9
109.99183	0.7
110.97585	2.1
115.00706	1.1
116.00224	0.7
116.98629	5.2
119.01878	0.8
121.08461	0.6
122.05999	0.4
124.00751	2.3
124.99165	0.4
126.02283	6.8
126.03143	0.5
127.00715	0.9
127.03883	1.0
128.98605	2.1
129.02249	0.9
130.93300	1.9
131.00203	0.5
132.10223	3.6
132.52515	0.7
133.03494	0.7
134.99635	2.1
138.02301	0.5
138.05530	1.3
138.09145	3.1
139.05856	1.3
139.09518	3.7
140.03841	8.1
140.07109	0.5
140.08127	0.5
140.52333	0.5
142.01779	1.7
142.05409	7.5
144.03314	4.3
145.01755	0.8
146.99654	1.6
147.03305	1.1
148.94409	0.5
149.52870	0.5
153.02246	0.5
157.03506	0.6
158.04912	18.2
158.92790	0.6
158.99672	0.9
160.06467	24.1
161.01285	0.5
161.04883	1.6
162.04384	1.1
165.00665	0.7
168.00600	0.5
169.09801	0.6
170.04871	7.6
170.06230	0.6
171.03287	3.5
172.94385	1.5
173.03087	0.5
174.99184	0.4
176.05968	5.3
176.93861	0.9
177.00862	1.2
178.07552	5.8
181.06546	0.5
183.08067	0.5
188.02464	1.0
188.05966	18.3
189.00729	0.5
189.04347	18.2
190.95442	1.4
191.05910	0.6
193.00206	0.6
197.06491	1.9
205.08636	0.6
206.03369	1.2
206.07016	35.2
207.05429	8.8
207.07259	0.9
208.06479	0.5
214.95410	0.9
216.98795	0.7
219.01906	1.5
224.08067	41.2
229.08797	0.6
232.96449	3.0
233.03616	0.5
234.99672	0.6
237.02748	0.6
242.09108	0.6
244.60152	0.8
247.09697	0.5
250.97627	0.5
253.60602	2.4
256.96298	0.6
273.14792	0.7
276.99039	1.1
277.02386	0.6
278.96896	0.5
280.03708	0.5
283.13174	0.8
284.11679	1.8
291.15894	0.6
300.93784	0.7
301.02252	1.7
301.09079	0.8
301.11911	0.6
301.14371	18.9
302.12726	5.1
319.15411	83.9
320.16049	0.5
321.05298	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	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
50.12878	1.0
53.03951	2.2
55.01858	2.0
55.05515	11.8
57.03432	1.8
57.07078	2.5
59.05006	1.3
65.03971	1.3
67.05505	10.9
69.03429	2.5
69.06727	1.3
69.07075	16.4
69.31800	11.8
79.05493	10.5
81.07066	22.4
83.04990	1.7
83.08611	9.3
84.96704	1.1
91.05489	17.4
93.07059	20.5
95.04975	3.4
95.08617	21.5
97.06534	2.3
97.10229	1.7
98.90359	1.1
103.05494	1.5
105.06385	1.8
105.07041	26.3
107.08610	24.9
109.06535	2.9
109.10162	24.0
117.07030	6.3
119.08596	22.5
121.06503	5.5
121.10149	13.6
123.08085	3.1
123.11716	24.0
125.09634	1.5
128.06187	2.0
129.07001	5.8
131.08585	14.4
133.06573	1.1
133.10143	28.5
135.08102	2.9
135.11752	6.8
135.12564	1.1
137.09657	6.4
142.07780	3.1
143.08542	10.4
144.09358	3.2
145.10123	15.8
147.08095	2.4
147.11688	17.3
149.09613	4.0
149.13252	4.5
149.90451	1.3
151.07527	1.8
151.11205	4.3
153.01828	2.1
155.08524	2.8
156.09331	2.6
157.10126	15.0
158.10954	1.9
159.08080	4.1
159.11702	21.4
161.09636	3.2
161.13261	7.0
163.07590	1.2
163.14880	1.7
168.00493	1.4
169.10138	2.8
169.12254	1.3
170.10904	2.7
171.08031	1.6
171.11694	18.7
173.09752	1.7
173.13272	14.1
175.11176	3.1
175.14856	3.6
177.09164	2.2
177.12753	2.4
183.11652	2.9
184.12524	1.6
185.09547	1.4
185.13293	14.1
187.14845	5.0
189.12784	1.4
191.14403	1.6
197.13277	2.2
199.14845	16.1
201.16364	1.5
203.10629	1.7
203.14395	2.2
207.13860	1.7
211.14899	2.4
212.09430	1.7
213.12682	1.8
213.16431	8.5
217.12299	1.3
217.16130	1.2
219.13884	3.5
223.03915	2.9
225.16498	1.8
227.11882	2.2
227.14355	3.8
227.18018	5.4
231.13794	1.7
231.17477	1.7
232.28949	1.1
233.15421	1.3
239.17686	1.2
241.19579	5.3
245.15390	8.1
255.06903	2.4
255.11313	14.5
255.21092	36.8
256.11893	1.4
265.19565	3.8
269.04514	2.1
273.22168	2.0
283.06052	3.7
283.10815	1.4
283.20593	14.9
286.04700	8.7
301.07120	11.3
301.12094	2.6
301.21646	100.0
302.21869	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	301.1184
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
65.03938	1.2
67.05470	0.8
68.05015	0.2
69.03437	0.2
69.53150	1.1
70.53235	0.2
79.05476	0.3
80.05013	0.2
81.03379	0.2
81.07024	0.2
82.02938	0.4
91.05464	0.4
92.05006	2.2
93.03377	0.2
94.06538	0.6
95.04914	0.4
98.21648	0.3
103.05444	0.2
105.07005	0.3
106.06544	0.4
108.04465	0.2
108.08087	0.4
109.37140	0.2
110.06020	0.3
115.05479	0.2
117.05760	0.3
117.06984	0.2
118.06542	0.4
120.04459	2.6
121.10191	0.2
122.06008	1.3
128.06189	0.2
129.06972	0.6
130.06477	0.4
131.07312	0.2
131.08514	0.3
132.04459	0.3
132.08032	0.4
133.10155	0.2
134.05980	0.5
136.07573	2.2
141.06961	0.5
142.06551	0.2
142.07761	0.3
143.07338	0.3
143.08548	0.5
144.06992	0.2
144.08040	0.9
145.08807	0.3
146.06010	0.3
148.03900	0.7
152.06235	0.3
153.07008	0.4
154.06483	0.5
154.07767	0.6
155.07314	0.3
155.08504	0.3
156.08093	0.6
156.09291	0.2
157.07596	0.2
157.08888	0.3
157.10121	0.4
158.09659	0.4
159.09242	0.4
160.07564	0.6
162.05553	1.4
165.06973	0.7
167.07326	2.1
167.08598	0.4
168.08075	1.2
169.07574	0.5
169.08852	0.9
169.10126	0.4
170.08380	0.9
170.09644	0.5
171.09151	0.5
172.07565	0.8
173.07077	0.9
173.08397	0.4
174.09229	0.3
181.08904	0.4
182.06038	0.3
182.09680	2.9
183.06818	0.4
183.09160	2.3
184.07558	0.6
184.09872	3.0
184.11322	1.3
185.07050	0.6
185.10693	0.6
186.09154	0.4
187.08669	2.4
189.10278	0.2
191.07339	0.2
192.08070	0.5
192.87679	0.2
194.08156	0.2
194.09715	0.4
195.06783	0.3
195.09166	0.3
196.07590	0.9
197.06920	2.3
197.08434	0.8
197.10732	0.5
198.07709	2.0
198.09276	0.6
198.11438	0.4
199.08536	1.2
199.12317	7.2
200.10722	0.8
201.10258	0.2
209.10750	0.8
210.09145	6.3
211.08630	5.8
212.09265	9.3
213.06689	0.5
213.10114	2.2
222.07864	0.4
223.06287	0.2
223.08597	0.2
225.06635	1.7
225.10252	1.0
226.07196	1.2
226.10852	1.2
227.08098	1.1
227.11795	27.7
228.10086	0.5
228.12144	0.3
229.13239	0.2
236.30518	0.2
237.10210	2.4
238.08656	1.6
239.08167	2.6
240.08916	11.7
241.09741	6.9
247.03758	0.2
253.09732	0.6
254.10423	0.9
255.11287	100.0
256.11609	1.1
257.12851	2.8
266.08136	0.3
273.12247	0.6
283.10770	12.4
286.04712	0.4
301.11844	18.1
301.21558	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	301.0709
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05502	0.3
67.05492	0.4
68.99782	0.3
69.03407	0.7
69.07070	0.3
69.39967	1.2
69.40394	0.8
71.23299	0.2
71.53993	0.2
79.05524	0.3
81.07026	0.6
83.08607	0.4
91.05476	0.4
93.07027	0.6
95.08595	0.7
105.06990	0.6
107.08562	0.6
109.10133	0.5
109.64744	0.2
115.77762	0.3
118.85609	0.2
119.08547	0.4
121.06520	0.4
124.33714	0.2
125.02362	0.3
133.10129	0.5
135.11717	0.2
145.10095	0.6
147.04379	0.2
147.11639	0.7
153.01826	2.3
157.10106	0.4
159.11708	0.5
168.00566	0.2
173.13234	0.4
185.13220	0.2
199.02379	1.2
227.11761	1.2
229.04903	2.4
255.01768	0.3
255.11311	2.2
255.21263	0.3
257.04446	1.1
258.05249	42.9
259.05496	0.7
269.04239	0.2
273.02972	0.4
283.10760	0.5
283.20514	0.4
286.04727	57.2
287.05167	1.3
301.07068	100.0
301.21466	1.8
302.07443	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	301.1072
Annotation	6-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.01876	0.4
57.00819	0.4
57.40447	0.4
59.76935	0.3
64.87229	0.4
65.03933	0.6
68.99796	3.3
69.03423	0.4
69.99812	1.5
70.00227	0.9
71.04979	0.4
79.05485	0.7
81.03432	0.4
81.07062	0.8
83.04994	0.5
84.02141	0.6
91.05482	1.1
93.07063	0.8
95.04918	0.7
95.08615	0.7
97.06521	1.3
98.03669	0.9
98.20765	0.4
102.45605	0.4
103.05498	3.4
104.24709	0.4
105.07037	0.5
107.04983	0.5
107.08598	0.6
109.02905	0.5
109.10105	0.5
111.04478	0.6
112.01553	0.4
112.36659	0.3
117.90920	0.4
121.10135	0.6
123.04458	0.5
126.03125	0.8
131.04948	5.2
136.01620	0.4
139.00258	0.4
139.69485	0.4
147.11665	0.6
149.09540	0.5
151.03937	0.4
152.12769	0.4
153.01718	0.4
154.02589	2.5
157.04991	1.0
168.00581	1.3
169.05040	0.5
182.02113	12.7
185.00815	1.1
186.01575	1.2
197.04471	100.0
198.04852	0.9
200.03175	15.1
200.05078	0.7
223.87802	0.4
229.55658	0.4
255.11346	1.0
255.21103	0.9
269.08020	0.5
283.20334	0.4
286.01852	0.5
286.04770	5.9
301.07101	5.8
301.10721	29.7
301.21667	1.7
301.24921	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	301.0708
Annotation	Diosmetin
Peak:m/z	Relative Intensity
55.01869	0.3
55.05523	0.4
57.07071	0.2
67.05505	0.4
68.91107	0.2
68.99812	0.3
69.03383	0.2
69.07080	0.6
69.56629	0.5
69.57044	1.2
79.05486	0.3
81.03429	0.3
81.07062	0.8
81.51508	0.2
82.97470	0.2
83.04989	0.2
84.67302	0.2
87.04419	0.2
91.05470	1.1
93.07041	0.8
95.04989	0.4
95.08619	0.9
97.06516	0.4
99.00806	0.7
105.07050	0.7
107.08622	0.5
107.77099	0.2
109.10159	0.7
112.01596	0.8
112.92673	0.2
117.07021	0.4
119.04954	1.7
119.08577	0.6
121.02878	3.2
121.10155	0.6
123.00784	1.3
123.11761	0.3
127.00282	0.9
128.11464	0.3
128.83229	0.2
129.07050	0.3
131.08566	0.5
133.10161	0.5
135.11617	0.3
140.01080	0.7
141.07051	0.2
143.08582	0.3
145.10165	0.6
147.07936	0.2
157.10149	0.4
159.11691	0.5
161.13370	0.3
168.00545	13.4
169.01393	0.6
171.11629	0.4
173.13445	0.2
183.02899	0.3
184.05151	0.3
186.01601	7.4
203.14238	0.2
213.05467	0.3
215.17961	0.3
221.78944	0.2
227.11819	0.7
240.04196	0.3
240.09137	0.3
255.06453	0.5
255.11263	2.6
255.21088	0.3
258.05270	0.9
269.04437	0.6
283.10724	0.5
283.20721	0.3
285.03976	0.7
286.04727	39.6
287.05035	0.6
301.07071	100.0
301.21530	2.5
302.07477	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	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
69.03422	0.4
69.51189	0.9
69.74240	0.1
81.03403	0.2
81.28275	0.1
85.02918	0.2
93.07021	0.2
96.55148	0.1
98.20762	0.2
103.05447	0.1
113.54721	0.1
121.02969	0.1
130.45476	0.2
133.10045	0.2
149.05989	0.3
153.01823	1.5
155.25090	0.1
168.00552	0.3
172.75844	0.1
184.05180	0.2
186.01552	0.2
188.04985	0.1
197.05956	0.2
212.04678	0.2
229.04990	2.2
230.00969	0.1
255.11360	0.5
257.04474	1.0
258.05255	44.7
259.05585	0.6
273.07486	0.1
286.04727	57.2
287.05051	0.8
301.07074	100.0
302.07327	1.8
302.10391	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	301.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	11.8
60.87923	1.0
70.14192	4.7
71.95273	3.2
95.73343	0.9
98.20815	1.6
98.97591	100.0
99.22530	1.0
99.97934	3.3
102.96909	1.9
116.98634	66.2
117.98962	2.9
119.01952	1.2
120.97898	1.4
134.99669	24.9
135.00658	2.1
139.12912	1.1
153.00743	2.2
155.07156	1.0
158.36473	1.0
177.00885	1.4
190.95406	1.5
216.98692	1.2
219.02010	6.7
234.96524	1.4
234.99811	1.5
235.95918	1.1
240.98744	3.4
241.98895	1.1
258.97055	1.1
258.99792	33.4
259.99942	16.7
261.00031	1.4
261.03113	3.7
273.01691	0.9
276.97766	3.5
277.00793	40.5
277.94788	1.6
277.97699	2.7
278.00983	20.4
278.96750	1.9
279.00809	1.7
282.97055	1.1
282.99863	5.7
286.04767	1.3
295.95572	5.2
296.98062	1.2
300.94229	2.0
300.97507	7.1
301.01099	6.0
301.09702	6.7
313.97021	1.7
318.98627	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	300.1595
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
53.03942	0.7
55.05501	0.4
57.91308	0.3
67.05515	0.7
70.06586	1.5
71.58767	0.4
77.03946	0.3
79.05484	1.5
81.07030	0.6
84.04510	0.5
86.09711	1.6
91.05485	1.1
93.07052	0.8
93.64069	0.3
95.04958	1.7
95.08596	0.4
103.05457	0.9
103.27441	0.3
105.04517	0.5
105.07030	0.9
107.04958	100.0
108.05276	0.5
109.02966	0.3
112.07597	0.4
115.05455	0.7
117.07024	1.8
121.06499	2.5
126.09232	0.3
128.06241	0.3
128.10725	0.4
129.07008	0.5
130.08682	0.6
131.04953	1.2
131.08682	0.3
133.06499	0.9
135.04448	0.4
136.05191	0.8
138.02615	0.4
143.04915	0.8
144.05711	1.0
145.06493	10.3
146.07268	0.8
150.06697	0.8
151.07542	9.1
153.08904	0.3
155.06075	0.9
158.07285	3.7
159.04433	1.5
159.08037	0.7
161.06015	0.9
165.09143	2.3
174.06764	6.8
175.07538	0.3
176.08368	1.4
177.09109	2.2
178.17766	0.3
189.09119	13.9
189.50298	0.3
190.09831	0.5
192.10254	0.7
207.08142	0.8
209.09601	0.6
211.07428	0.5
215.40141	0.3
219.08069	0.4
221.09651	0.7
225.09074	0.8
236.08202	0.5
237.05466	0.3
237.09142	3.6
251.10718	1.1
252.11481	9.9
253.08632	1.4
254.09219	0.4
255.11121	0.3
258.05396	0.6
268.10959	8.0
283.13303	44.8
284.13724	0.7
286.04752	1.1
300.15952	32.7
301.07034	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	300.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01867	2.1
56.05035	2.3
57.03439	2.6
58.44328	1.0
60.04517	2.1
60.17985	1.1
61.02945	1.7
62.47927	1.1
65.03936	2.1
67.05505	9.4
69.03075	1.7
69.03436	27.5
69.07083	8.0
70.06596	6.6
71.04977	1.8
71.06113	1.1
72.08136	1.1
73.02914	2.9
79.05495	3.2
81.03423	12.0
85.02424	2.0
85.02909	27.0
86.09711	100.0
89.06026	1.2
91.05441	1.7
91.89821	1.1
93.03396	2.5
93.07041	1.1
95.04961	4.9
97.02906	14.1
99.04461	8.1
99.05580	4.0
100.05939	1.8
103.03947	2.0
103.88719	1.1
105.06998	1.7
106.06564	1.3
107.04956	2.2
109.02895	9.6
119.08544	1.5
121.02817	2.5
121.06494	1.2
123.04459	1.9
124.07602	1.8
127.03912	10.4
128.10722	70.4
132.10172	3.3
134.05998	4.6
136.06209	13.3
138.05476	8.6
140.04674	4.2
145.02887	1.6
145.04944	2.7
150.05515	1.8
152.07129	2.0
155.07014	4.3
156.10197	12.4
173.04492	1.7
174.11281	1.2
176.07076	3.6
177.05513	2.8
177.06953	1.5
180.06552	18.3
181.04926	4.4
191.08490	2.3
198.02997	1.3
204.06569	6.7
216.06502	1.7
219.08028	1.7
227.09157	2.6
232.19205	1.2
237.09128	3.2
241.08653	1.9
246.07564	2.4
254.11871	4.1
255.04146	1.5
258.13507	1.4
282.19400	1.8
286.04529	1.3
300.11255	1.8
300.14325	9.0
300.20416	3.7
301.11569	2.0
324.54919	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	299.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44168	1.2
55.05252	2.0
55.05508	17.7
57.03438	2.6
57.07077	9.7
62.25750	1.3
67.05510	28.0
69.07077	24.8
71.08636	6.5
71.59698	2.8
79.05099	1.3
79.05501	8.5
81.07058	40.2
83.04980	1.4
83.08628	12.7
85.10200	3.0
91.05486	11.5
93.07047	23.0
95.04988	2.4
95.08612	68.1
97.10172	9.8
104.23919	1.4
105.07044	23.3
107.08602	29.1
109.06510	1.5
109.10168	38.9
109.10921	2.1
111.04475	1.9
111.11702	2.7
117.07037	3.7
119.08593	22.5
119.21039	1.7
121.10155	22.8
123.11725	17.9
131.08617	6.1
133.10150	21.4
135.11694	15.8
137.13255	8.6
142.07861	1.5
143.08568	1.5
145.10141	10.3
147.11699	27.5
149.13269	15.2
151.14790	3.1
157.10168	2.5
159.11708	10.5
161.13278	28.1
163.14886	5.9
169.10204	1.8
171.11763	1.8
173.13274	4.6
175.14841	14.0
177.16383	10.0
183.11722	3.2
185.13281	1.7
187.14902	5.5
189.16365	18.5
191.17987	12.0
194.42552	1.5
197.13274	2.0
201.16428	10.7
203.17960	18.1
215.17960	13.9
217.19492	9.7
229.19608	7.5
243.21181	5.4
257.22635	1.9
299.20428	9.3
299.27411	100.0
299.35083	5.1
300.16071	2.1
300.27609	1.7
318.01776	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	299.2008
Annotation	Angustanoic acid E
Peak:m/z	Relative Intensity
55.05502	4.4
56.96553	1.7
57.07073	2.2
58.49530	1.5
60.76682	1.2
66.90971	1.1
67.05505	8.4
69.03416	2.2
69.07066	4.8
69.61121	9.0
70.79310	1.3
71.04965	1.2
71.09528	1.1
79.05499	7.9
81.03410	5.1
81.07055	8.3
81.70753	1.1
83.04984	1.6
83.08604	5.0
85.06516	1.6
91.05485	30.8
93.05099	1.4
93.07049	10.2
95.04956	3.5
95.08602	12.4
95.60446	1.4
97.06518	2.3
103.05425	1.7
105.07047	18.6
107.08598	11.4
109.02874	1.8
109.06528	3.9
109.10161	5.6
111.08093	1.3
115.05436	2.0
116.06225	8.7
117.07050	3.1
119.04961	6.9
119.08590	19.9
120.58533	1.2
121.06535	3.2
121.10131	8.3
123.08070	5.1
125.09608	3.3
127.03955	2.8
128.06213	2.3
129.07028	9.1
131.08583	42.2
133.06500	2.2
133.10117	5.8
135.08040	3.4
137.09641	1.5
142.07780	2.8
143.08536	6.0
145.10104	5.9
146.05962	1.4
147.04398	2.8
147.08054	1.7
147.11684	3.4
149.09650	6.0
154.49457	1.2
155.08582	3.8
156.09340	4.0
157.10123	7.3
159.08066	100.0
159.11703	5.1
161.09566	2.5
161.13284	1.3
164.77980	1.2
165.07014	1.8
169.10132	3.7
170.10904	1.3
171.11679	8.5
173.13214	2.2
177.09099	1.6
181.10155	1.7
182.10883	2.6
183.11693	4.5
185.09599	2.1
185.13248	2.2
187.11159	1.8
189.12785	2.6
195.08012	1.4
195.11766	3.9
197.09547	1.4
197.13293	5.3
199.11150	7.1
199.14790	1.6
201.12700	1.6
206.10945	2.1
207.11656	2.3
211.14767	2.7
211.33176	1.6
213.12582	1.5
215.14291	2.0
217.15887	1.3
221.13246	2.2
223.14638	1.9
225.12808	3.5
233.13560	1.7
239.11832	1.4
239.14125	2.3
239.18130	1.7
241.15961	1.5
243.13858	2.6
245.42465	1.3
253.19591	3.6
255.20897	1.6
257.19089	3.1
263.17953	4.7
271.14291	1.7
281.19022	23.7
284.06717	2.4
299.05542	4.2
299.09259	6.2
299.13879	7.5
299.20065	53.9
299.23325	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	298.2742
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
53.03941	0.4
55.01900	0.4
55.05516	12.5
57.07084	4.8
60.04536	0.8
62.06094	100.0
67.05506	4.4
69.07073	12.3
69.65103	1.1
69.65488	0.9
70.02961	3.9
71.08631	2.4
79.05497	4.2
81.07062	5.0
83.04983	0.4
83.08625	9.5
85.10168	0.7
88.04005	1.5
93.07043	4.0
95.08624	4.2
97.06526	2.1
97.10181	5.9
98.06057	0.8
99.04456	1.0
107.07976	0.4
107.08582	2.3
109.10163	1.1
111.08102	0.9
111.11755	1.1
117.99983	0.4
121.10148	4.2
121.26629	0.4
123.11678	0.8
135.11722	2.6
136.06146	0.4
137.13290	0.4
149.13344	0.8
152.35400	0.3
219.21053	1.1
223.07701	0.5
225.75627	0.4
274.91116	0.5
280.26419	4.0
281.07986	0.5
281.24762	5.2
298.27432	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03940	1.4
53.79539	0.8
55.05513	15.1
56.05039	7.9
57.07068	3.1
58.02959	2.4
60.04535	6.7
65.03932	2.1
67.05178	1.5
67.05510	20.7
68.05022	3.0
69.03392	0.8
69.07069	14.7
70.36628	2.6
70.69125	0.9
71.08615	2.0
79.05495	14.2
80.05017	2.4
81.03436	1.0
81.07063	16.2
82.06577	8.2
83.08628	8.1
86.06075	2.4
91.05482	9.4
93.07043	10.6
94.06573	4.1
95.04978	1.6
95.08614	14.6
96.08132	2.3
97.06470	1.6
97.10160	3.8
98.06046	2.2
100.07644	2.3
105.07054	5.4
107.08597	4.9
108.08138	1.0
109.10179	5.4
119.08577	5.5
120.82449	0.9
121.10139	3.4
123.11724	1.8
133.10135	2.3
135.11681	2.3
136.06192	1.6
141.31377	0.9
147.11627	1.3
149.13225	1.0
154.12280	1.0
166.37457	1.0
167.31200	0.9
173.07767	0.9
191.14574	0.8
223.07568	1.6
250.25348	8.1
262.25369	3.7
280.26370	100.0
281.08017	2.4
298.10928	1.7
298.18884	3.2
298.22235	1.3
298.27524	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	298.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52970	0.6
55.05501	1.7
56.96568	5.7
57.03440	1.2
59.05004	14.9
61.01134	1.3
61.02928	1.3
64.44192	0.7
66.83231	0.7
67.05482	1.3
69.03426	3.5
69.72935	4.6
70.06583	2.4
73.02924	1.7
81.03416	1.0
83.04978	1.1
84.08138	0.7
85.02914	7.0
85.06518	0.9
97.02895	3.5
98.97587	8.1
99.04512	0.8
101.06023	17.2
107.04957	1.0
109.05134	0.8
110.03511	1.0
110.07164	0.9
110.97557	1.0
116.98637	7.2
119.07075	4.6
123.04425	0.8
127.03949	3.3
128.04472	0.9
128.98593	1.1
131.00117	1.4
134.03644	0.7
134.99628	5.8
136.06192	23.4
138.09143	10.5
145.04947	1.2
148.08768	0.8
149.04620	4.4
152.05670	7.9
153.00706	1.1
153.04117	3.4
164.98524	0.7
166.07253	100.0
167.05652	8.1
177.00679	1.0
186.04353	1.0
189.00774	0.9
193.10889	1.0
201.00661	1.3
204.05351	1.0
219.01756	1.4
223.07605	1.0
232.96436	1.0
237.02681	0.8
239.11391	2.6
251.06956	0.9
267.10223	1.0
274.97525	6.2
280.16528	1.1
281.08047	1.3
292.98587	4.3
298.12952	2.8
298.17114	0.9
299.06219	1.3
300.06223	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	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.03428	0.2
61.01156	5.4
63.35337	0.2
69.03423	0.5
70.84266	0.4
75.02708	2.8
94.04049	0.4
95.13407	0.2
97.02909	1.6
103.02175	0.3
107.08575	0.2
119.03556	1.0
136.06195	100.0
137.04578	0.4
137.06564	0.5
145.03181	1.3
163.04202	1.4
163.07413	0.2
216.25342	0.2
219.69591	0.2
224.74724	0.2
233.05556	0.2
298.09702	3.3
307.39148	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	298.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79201	0.9
53.03947	4.5
55.01882	1.4
55.05521	1.1
57.03429	3.5
59.07869	1.0
59.53907	1.0
61.01147	4.2
62.34072	1.1
68.59879	1.1
69.03434	2.5
70.06594	2.3
71.57825	1.4
71.91379	1.0
72.08171	1.7
75.02718	2.0
76.04011	25.5
79.05502	10.1
81.03423	12.7
81.07059	1.8
82.06591	1.4
82.58279	1.1
83.04988	6.3
84.08139	2.6
85.02919	1.4
86.09698	2.3
89.42455	1.1
91.05492	23.7
93.07055	20.4
95.04978	5.4
96.04476	1.6
97.02910	1.4
97.06555	1.2
100.11285	1.2
105.07056	5.2
107.04974	4.7
107.08608	14.3
109.02882	1.3
109.06514	2.0
110.06051	8.6
111.04456	0.9
115.05451	2.1
117.07028	100.0
119.08567	10.7
120.08109	1.2
121.06516	8.5
121.10147	3.0
123.04446	3.2
125.05984	1.6
127.03860	1.2
129.07005	2.0
130.06560	2.5
131.08578	20.3
133.06514	3.7
135.08072	32.1
136.06200	89.3
143.08470	2.2
145.03154	1.6
145.06482	3.0
147.08122	1.2
149.09637	13.8
150.09160	1.0
150.27153	1.3
151.07558	1.5
159.08070	14.9
159.09224	2.2
160.80147	1.1
161.05980	2.5
161.09645	2.3
163.07556	26.0
165.05412	1.8
169.07603	1.5
174.09142	5.1
177.09123	44.5
179.10716	2.6
181.08612	3.2
187.07571	5.3
189.07368	1.7
189.09138	1.2
192.10294	3.5
195.10173	19.1
205.06770	0.9
205.08601	25.1
205.10532	1.3
216.10234	2.0
223.09636	9.7
234.11252	17.2
235.07657	1.5
238.10794	9.6
241.10663	6.0
251.07031	2.2
252.07349	1.8
252.12346	24.5
280.06888	3.0
280.11829	17.8
281.08084	1.6
298.07648	3.2
298.10367	2.6
298.13074	9.0
298.24890	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	297.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06199	0.9
56.96572	10.8
70.95819	1.0
71.00024	0.8
71.54227	1.0
71.95254	2.5
76.47578	0.7
98.97586	100.0
102.64513	0.8
116.98624	51.9
119.01909	1.2
134.99663	13.3
140.00203	1.6
153.00630	1.3
172.94426	5.0
177.00972	1.2
190.95380	3.6
194.86221	1.1
208.96336	1.3
214.95462	2.1
219.02040	2.2
220.27641	0.9
232.96402	6.2
250.97496	3.2
256.96417	12.8
261.03098	6.7
274.97504	81.3
292.98550	46.2
297.99231	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	297.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23944	2.2
55.01874	2.9
55.05519	22.3
56.59072	2.3
56.78187	2.0
57.03427	4.5
57.07082	24.1
62.06104	2.3
67.05175	2.9
67.05509	42.3
67.94250	2.2
69.03461	2.7
69.07079	23.5
70.02005	2.2
71.01363	6.5
71.04996	4.0
71.08633	15.5
71.58504	2.1
71.58950	2.7
75.65000	2.1
79.05502	19.8
81.03415	6.3
81.07059	41.8
83.04976	4.1
83.08624	14.9
85.06567	2.8
91.05495	6.2
93.07042	16.7
94.82610	2.5
95.04959	3.5
95.08610	46.7
97.06533	4.9
97.10191	12.8
99.08102	3.0
105.07047	8.0
107.08608	15.5
107.65738	2.7
109.10148	20.1
119.08597	5.3
121.09415	2.7
121.10188	9.5
123.11714	8.7
125.09666	8.8
131.08580	6.8
133.10164	3.2
135.08070	2.6
135.11697	11.3
137.13281	4.7
141.12741	8.6
143.08533	3.3
145.10127	3.7
151.07596	3.5
157.10074	2.9
159.11739	5.3
161.13110	2.8
163.14894	2.3
169.15871	15.0
171.11734	3.8
173.13245	2.4
183.13829	100.0
187.14845	4.6
189.11276	7.0
201.12825	3.3
208.88329	6.3
226.89417	3.3
231.90070	2.6
233.22745	2.9
243.21315	2.6
250.89412	8.5
251.23708	27.1
255.89809	3.3
261.22156	9.8
273.91068	4.5
279.23242	20.6
297.18472	8.5
297.22101	6.3
297.25647	6.3
298.10822	2.2
299.06412	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	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.23944	2.2
55.01874	2.9
55.05519	22.3
56.59072	2.3
56.78187	2.0
57.03427	4.5
57.07082	24.1
62.06104	2.3
67.05175	2.9
67.05509	42.3
67.94250	2.2
69.03461	2.7
69.07079	23.5
70.02005	2.2
71.01363	6.5
71.04996	4.0
71.08633	15.5
71.58504	2.1
71.58950	2.7
75.65000	2.1
79.05502	19.8
81.03415	6.3
81.07059	41.8
83.04976	4.1
83.08624	14.9
85.06567	2.8
91.05495	6.2
93.07042	16.7
94.82610	2.5
95.04959	3.5
95.08610	46.7
97.06533	4.9
97.10191	12.8
99.08102	3.0
105.07047	8.0
107.08608	15.5
107.65738	2.7
109.10148	20.1
119.08597	5.3
121.09415	2.7
121.10188	9.5
123.11714	8.7
125.09666	8.8
131.08580	6.8
133.10164	3.2
135.08070	2.6
135.11697	11.3
137.13281	4.7
141.12741	8.6
143.08533	3.3
145.10127	3.7
151.07596	3.5
157.10074	2.9
159.11739	5.3
161.13110	2.8
163.14894	2.3
169.15871	15.0
171.11734	3.8
173.13245	2.4
183.13829	100.0
187.14845	4.6
189.11276	7.0
201.12825	3.3
208.88329	6.3
226.89417	3.3
231.90070	2.6
233.22745	2.9
243.21315	2.6
250.89412	8.5
251.23708	27.1
255.89809	3.3
261.22156	9.8
273.91068	4.5
279.23242	20.6
297.18472	8.5
297.22101	6.3
297.25647	6.3
298.10822	2.2
299.06412	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	297.2212
Annotation	CHEBI:70044
Peak:m/z	Relative Intensity
55.05507	5.2
57.07073	0.8
61.37995	0.5
65.03925	0.7
67.05501	12.8
69.03414	0.9
69.07060	4.6
70.90590	0.8
70.90927	1.2
71.08630	0.5
79.05489	3.6
81.07059	9.6
83.08617	3.0
85.06496	0.6
91.05486	4.1
93.07038	7.7
95.08607	9.5
97.10166	1.5
97.43882	0.5
99.08106	1.1
100.29132	0.5
105.07038	10.4
107.08593	9.0
109.06500	1.0
109.10155	36.1
111.08039	1.5
113.96383	0.7
115.05447	0.8
117.06994	2.9
119.08575	8.8
121.06477	2.5
121.10126	4.0
123.08031	1.3
123.11678	1.5
128.06227	1.6
129.06999	2.0
130.07826	0.7
131.08543	6.2
131.97397	0.9
133.06464	0.9
133.10144	5.4
135.08040	2.8
135.11699	1.5
137.09612	3.9
138.38493	0.5
142.07742	1.7
142.50792	0.6
143.08540	5.2
144.09299	1.2
145.06471	7.7
145.09027	0.9
145.10114	10.9
147.08038	3.4
147.11665	6.5
149.09525	0.7
149.13226	0.7
155.08565	2.4
156.09386	1.5
157.06467	1.4
157.10133	7.8
158.07251	0.8
159.08109	4.9
159.11696	14.4
159.13008	0.9
159.22389	0.5
161.09607	3.7
161.13242	7.7
165.06985	0.9
167.08568	1.5
169.10141	3.3
170.10837	0.7
171.08029	7.9
171.11699	4.5
173.09579	3.1
173.13269	6.3
175.11186	3.8
175.14862	1.7
177.12695	0.6
179.08504	0.8
180.09369	0.8
181.10094	2.0
183.11655	3.5
184.08806	0.5
185.09631	5.8
185.13264	7.1
186.10382	0.7
187.11174	8.3
187.14792	2.0
189.12747	3.4
193.10120	0.8
194.10884	1.2
195.11697	2.1
197.09641	0.8
197.13301	3.7
198.10454	1.0
198.14107	0.8
199.11180	6.4
199.14851	4.6
201.12724	5.2
203.14323	7.9
207.11711	0.8
209.13286	4.4
210.13924	0.7
211.14882	1.8
212.11928	1.9
213.12729	3.6
213.16377	1.9
214.13522	2.3
215.14317	30.0
221.21916	0.7
223.14835	2.3
225.12773	0.9
225.16367	2.1
227.14304	21.0
227.17914	1.3
228.14880	0.9
229.15851	1.1
237.16347	1.6
239.17947	1.4
241.15868	14.2
241.19398	0.8
249.16434	1.1
251.17960	1.1
253.19424	1.0
254.20206	1.1
255.17429	3.8
255.21127	0.7
269.22632	18.0
270.22641	0.6
279.21066	10.1
282.19974	0.6
286.74326	0.6
297.22107	100.0
298.22333	1.8
299.06140	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	297.1235
Annotation	Chandrananimycin C
Peak:m/z	Relative Intensity
53.03938	1.2
55.01863	1.2
61.27165	0.5
65.03927	1.0
67.91472	0.6
69.85543	3.6
79.05492	1.2
80.05023	33.5
81.03407	2.9
85.02902	2.5
87.89801	0.7
91.04256	0.8
92.05009	2.6
93.03406	0.7
94.02915	1.1
97.02936	0.9
97.65281	0.6
106.06548	1.5
108.04488	74.7
109.02217	0.9
109.02891	7.1
111.04443	1.3
116.41960	0.7
117.05753	2.3
117.07044	0.9
118.06528	3.1
119.03696	8.3
120.04477	6.5
123.04463	2.0
125.02433	0.8
125.04728	3.1
126.05524	20.4
127.03907	1.6
128.27895	0.7
130.06535	8.2
131.07352	3.1
132.07173	1.1
132.08102	13.1
134.04988	1.4
134.06026	27.4
136.03964	1.7
137.03467	0.8
139.03918	3.3
140.03456	1.2
143.07312	9.4
144.08095	14.1
147.03128	2.4
148.03937	21.7
149.04752	1.1
151.02649	1.8
152.03444	8.7
152.07082	6.5
153.05469	6.4
154.05003	53.3
155.05609	0.8
156.06766	0.8
157.07654	5.5
162.05518	39.3
166.05013	3.7
180.06590	10.5
189.04205	1.0
202.31050	0.6
219.09328	0.8
247.08699	1.8
248.09502	0.9
249.73198	0.6
255.09189	0.7
265.07355	0.9
265.09824	0.8
279.11273	2.0
282.10098	1.5
297.12354	100.0
298.12784	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	296.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06106	0.6
66.19008	0.4
67.05511	0.5
69.41010	2.7
75.04514	0.4
81.07082	1.0
95.08633	0.8
147.04410	0.4
157.88493	0.4
165.07007	0.5
178.07835	1.0
179.08548	3.8
189.07074	1.5
190.07758	2.3
191.08580	4.9
193.06502	0.7
193.10130	0.7
195.07950	0.4
202.07777	1.1
203.08578	3.2
204.09372	1.3
205.06535	1.3
205.10127	2.8
206.07239	0.7
207.08084	6.5
208.08653	0.6
217.06554	2.2
218.07274	4.8
219.08066	10.4
220.08824	0.8
221.06013	4.4
221.09601	5.1
222.06421	4.5
222.10405	2.4
231.08160	0.8
232.08774	0.7
233.09601	5.6
234.10411	30.2
235.07556	30.3
235.11153	1.3
236.08298	5.6
237.09102	1.4
238.09805	0.5
249.09129	2.4
250.05730	2.1
250.09909	44.7
251.10217	0.6
253.04539	0.8
253.12273	1.2
265.12247	100.0
266.12582	1.8
268.06827	0.6
278.05240	0.4
285.42334	0.4
296.06415	6.5
296.16449	25.5
297.16907	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	8.7
55.01873	5.1
55.05523	27.1
57.07063	9.0
62.78365	2.3
65.03931	3.2
67.05169	3.5
67.05511	56.6
69.03418	5.7
69.06721	2.5
69.07072	28.9
71.04998	4.8
71.08354	2.5
71.08644	28.8
71.58877	4.3
79.05500	34.3
80.68222	2.1
81.03423	21.2
81.07063	42.0
83.04980	10.7
83.08621	16.8
85.02923	7.0
85.06538	4.6
85.10159	4.3
86.09727	2.4
91.05492	24.7
91.30952	2.7
92.37894	2.3
93.07059	39.5
95.04984	13.4
95.08054	2.6
95.08614	30.6
97.02908	10.8
97.06531	6.6
97.10195	12.0
99.08103	28.1
104.10738	5.0
105.07043	33.1
107.04959	5.3
107.08607	27.6
109.06548	2.5
109.10168	21.1
111.08071	5.4
113.09664	3.4
117.07006	6.3
119.08604	14.7
121.06484	2.8
121.10149	13.1
123.04427	7.3
123.08064	9.5
123.11727	4.4
125.09621	10.0
127.03886	2.4
129.06989	3.6
131.08574	7.3
133.06514	100.0
133.07567	9.2
133.10178	12.5
135.08083	4.4
135.11713	13.1
137.09656	3.0
139.11105	2.4
143.08583	5.6
145.10127	10.2
147.11667	10.0
149.13243	6.4
151.07582	3.5
151.11179	23.4
157.10155	3.2
159.11707	4.7
161.13263	12.4
163.11191	7.8
163.14827	3.5
165.12793	6.2
169.10234	2.6
171.11697	4.4
173.02338	4.3
173.13271	5.0
175.14809	4.2
177.07063	4.0
179.14319	11.7
184.07388	5.2
185.13261	3.8
189.11263	8.0
189.12758	2.4
199.14923	4.8
205.06680	5.0
221.05986	7.2
222.06703	4.8
231.21088	3.2
233.06049	4.8
235.07574	5.4
237.09177	6.3
241.19551	7.4
249.05653	2.6
259.20538	10.7
265.08606	11.0
277.21661	53.1
295.06018	12.4
295.09647	12.1
295.22656	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.18102	2.2
53.03954	22.2
55.01868	10.4
55.05267	2.7
55.05516	33.0
57.03443	3.1
57.07075	10.5
65.03925	2.5
67.05511	77.1
69.03432	2.7
69.07073	50.7
70.79345	5.6
71.05009	3.8
71.08630	5.6
71.53655	2.3
79.05499	45.5
81.03425	96.5
81.07065	69.9
83.04984	20.2
83.08632	16.4
85.06529	4.5
85.10182	5.1
91.05481	26.3
93.07047	50.1
95.04974	55.5
95.08614	25.6
97.06537	4.9
97.10163	7.8
99.08078	6.1
105.07043	24.9
107.04938	3.6
107.08598	36.2
109.06509	12.2
109.10166	21.9
111.08086	7.4
117.07021	3.6
119.08607	17.9
121.10152	12.6
123.08103	3.0
123.11713	7.8
125.09654	10.6
129.07022	3.3
131.08563	7.1
133.10146	26.4
135.08052	5.9
135.11700	7.8
143.08572	4.0
145.10100	2.8
147.11705	17.5
149.09628	2.9
149.13278	12.4
150.48785	2.1
151.11195	60.6
153.09113	8.7
157.10080	3.9
161.13260	15.1
163.14828	8.4
165.12796	15.0
170.69701	2.1
171.11719	5.3
175.11154	4.1
175.14920	5.6
177.12822	2.7
179.14308	11.9
185.13423	3.3
192.87711	2.4
193.12184	4.5
205.06493	5.1
207.13818	5.3
217.19467	3.0
221.06049	3.0
221.15419	3.8
222.06866	2.8
231.21042	14.7
233.05905	2.4
237.09073	3.8
241.19579	11.1
249.22212	6.9
259.20590	6.9
265.08749	5.9
277.21634	100.0
295.06326	2.5
295.09650	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	4.5
55.01891	3.8
55.05513	25.0
57.03437	42.9
57.07058	7.9
60.25626	3.5
65.74242	3.0
67.05509	60.2
69.03381	3.0
69.07076	22.1
70.74333	7.1
70.74701	6.0
79.05499	45.9
81.07059	100.0
83.04988	5.5
83.08613	16.4
85.06514	6.3
91.05486	26.7
93.07048	64.9
95.08611	87.9
97.06544	6.4
97.10178	6.3
99.08090	7.2
105.07043	23.0
107.08598	49.7
109.06470	4.4
109.10176	31.8
111.08091	6.9
111.11720	5.3
115.21548	3.3
117.06994	6.4
119.08582	28.8
121.10155	42.4
123.08086	10.2
123.11704	14.0
125.09649	3.8
131.08589	17.8
133.10107	22.4
135.11716	27.6
137.13234	3.4
140.14064	3.2
143.08614	6.1
145.10097	18.0
147.11719	15.8
149.13278	11.6
153.07076	4.0
157.10130	8.9
159.11682	11.8
161.13257	8.7
163.14929	5.2
165.12717	4.0
171.11685	7.5
173.13203	7.8
175.14801	7.2
183.11591	4.8
185.13274	8.9
187.14822	23.1
189.30153	3.4
194.07381	4.0
201.16364	4.4
203.17897	7.0
205.06496	8.6
205.15880	13.9
206.07367	3.3
207.13760	3.3
211.14812	3.5
213.16360	5.0
215.17924	3.6
223.16978	11.4
225.16309	3.0
231.17442	4.2
233.06007	5.4
237.09111	7.9
239.17813	4.5
241.19467	8.7
259.20486	11.5
265.08664	10.0
277.21619	57.7
286.06012	3.6
287.57208	3.7
295.06671	3.4
295.09619	16.0
295.24374	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03948	26.1
55.01863	7.9
55.05516	40.5
57.03441	4.5
57.07071	10.9
58.24368	3.7
64.70356	2.9
65.03932	3.4
67.05167	5.2
67.05508	77.7
67.05866	5.0
69.03445	5.4
69.07075	52.3
71.04977	6.3
71.08634	8.5
79.05500	48.5
81.03428	78.8
81.07064	67.3
83.04990	22.9
83.08621	22.4
85.10165	4.8
91.05494	29.8
93.07053	50.9
95.04971	52.3
95.08617	29.2
97.06550	8.5
97.10170	13.4
99.08068	3.6
105.07048	27.6
107.08598	39.3
109.06532	13.0
109.10157	27.4
110.52827	3.1
113.09632	4.0
117.07011	5.1
119.08576	16.5
121.10136	13.9
123.08086	5.8
123.11706	12.7
125.09643	12.6
129.06970	4.7
131.08586	6.8
133.10156	21.8
135.08066	9.3
135.11713	12.3
143.08563	3.9
145.10136	5.7
147.11662	17.5
149.13251	9.0
151.11192	55.0
153.09035	4.3
157.10168	6.2
161.13268	19.2
163.14903	7.3
165.12726	9.0
171.11705	8.4
173.13306	4.0
175.14816	6.7
177.12704	3.7
179.14365	5.8
183.11658	3.7
185.13303	5.4
189.11221	4.2
205.06546	8.9
207.13696	5.4
231.21132	13.0
233.06126	4.0
237.09093	7.0
241.19554	10.1
249.05759	3.9
249.22255	6.8
259.20663	12.8
265.08575	11.9
276.05270	3.4
277.21655	100.0
277.24722	5.0
295.06012	8.5
295.09769	15.1
295.22977	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.19895	3.6
53.03947	6.4
55.01878	6.7
55.05301	4.2
55.05517	47.8
55.55638	4.0
57.07064	8.1
61.75290	3.7
65.03946	6.1
67.05511	88.5
69.07072	36.0
69.58767	17.7
69.59187	10.5
70.61413	3.9
71.04965	3.6
71.08634	45.1
79.05493	67.0
79.05913	7.3
81.03431	9.6
81.07063	69.7
83.04977	15.7
83.08618	27.5
85.06541	8.1
91.05495	40.3
93.07053	83.1
95.04963	11.9
95.08627	42.8
96.04758	3.6
97.06532	13.6
97.10172	26.8
99.08089	32.3
105.07043	28.4
107.04977	7.6
107.08597	54.1
109.06540	4.8
109.10173	42.7
113.09637	4.1
119.08588	23.7
121.10145	46.3
123.08088	5.7
123.11700	6.8
125.09626	18.6
131.08563	8.5
133.10074	19.4
134.43872	4.1
135.11705	45.4
137.09674	5.9
141.09082	4.7
143.08542	6.0
145.10132	9.1
147.11696	10.8
149.13257	17.0
151.11218	19.1
157.10126	5.7
159.11763	5.0
161.13275	11.5
163.11224	5.7
163.14799	4.3
171.11694	6.1
173.13200	5.6
175.14758	5.3
177.07005	6.3
177.12735	6.8
179.14316	100.0
182.32098	4.5
185.13326	7.6
189.11240	11.4
189.12798	5.4
205.06543	15.5
221.15450	7.9
233.06023	9.6
235.07536	10.8
235.16859	4.9
237.09076	13.6
241.19629	4.6
259.20627	10.8
260.00949	4.2
264.07858	5.5
265.08542	22.4
277.21652	58.2
295.09735	22.8
295.24588	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	295.2268
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03936	8.9
55.01860	9.1
55.05264	4.3
55.05515	58.6
57.03449	12.7
57.07077	14.7
57.34499	2.3
57.64901	2.3
59.04995	4.6
61.31989	2.2
62.90427	2.4
65.03932	4.0
67.05508	100.0
69.03406	9.8
69.06723	3.4
69.07073	49.3
70.07390	2.8
71.04986	11.5
71.08633	27.8
71.58309	2.6
79.05495	62.2
81.03420	18.1
81.07062	99.9
83.04975	24.0
83.08626	31.9
85.06554	9.0
91.05491	40.9
93.07046	73.5
95.04974	21.6
95.08611	56.9
97.06539	14.7
97.10150	16.3
99.08087	23.3
103.05563	2.8
105.07039	36.6
107.04964	6.9
107.08607	40.1
109.06518	8.5
109.10160	30.3
111.08080	9.5
113.09659	2.9
117.07008	11.2
119.08595	31.5
121.10167	20.5
123.04440	2.5
123.08094	7.4
123.11720	16.8
125.09648	16.4
129.06996	5.1
131.08536	12.5
133.06482	3.1
133.10159	21.5
135.08041	4.3
135.11693	17.8
135.52095	2.7
137.09608	7.4
137.13301	3.8
139.11160	7.9
139.38574	2.6
143.08511	8.1
145.10138	8.9
147.08083	2.4
147.11687	16.8
149.09650	3.8
149.13271	13.6
151.11195	21.8
153.09172	3.2
153.12715	5.0
155.10690	5.6
157.10129	9.4
157.59219	2.8
159.11586	2.8
161.09633	5.8
161.13260	18.2
163.11174	10.9
163.14793	5.7
165.12798	6.9
171.11642	5.0
173.11841	3.2
173.13263	6.5
175.14865	5.5
177.06924	2.9
179.14313	9.3
185.13327	5.8
187.14839	4.3
189.11229	4.5
189.12737	4.5
193.12347	4.0
194.07318	5.7
199.14850	3.5
205.06506	16.0
207.13914	3.6
217.19406	3.2
221.06023	5.1
221.15405	5.2
222.06758	6.0
231.21118	4.3
233.06004	7.3
235.07555	7.6
237.09093	10.0
241.19576	7.1
249.21907	3.0
250.06133	3.2
259.20529	10.5
263.07043	4.2
265.08569	27.3
267.06522	3.4
277.21661	60.6
280.07233	2.6
295.06183	6.1
295.09668	27.1
295.22787	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	295.2271
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
50.08311	2.1
53.03942	9.0
55.01876	12.7
55.05516	47.9
56.58909	2.3
57.03434	9.6
57.07072	12.5
59.04996	3.7
65.03954	2.3
67.05511	100.0
67.05873	5.1
69.03419	7.7
69.07072	47.2
70.16422	4.5
70.16820	4.8
71.04984	8.4
71.08625	10.6
79.05498	53.9
80.54544	2.4
81.03414	12.0
81.06577	4.4
81.07060	82.5
83.04984	18.7
83.08624	27.9
85.02920	2.7
85.06551	7.1
85.10196	3.0
91.05486	37.2
93.07050	57.9
95.04974	23.0
95.08617	60.0
97.06552	13.1
97.10170	18.1
99.08090	8.7
105.07046	27.3
107.04961	3.1
107.08605	38.2
107.65160	2.3
109.06529	6.8
109.10159	33.0
111.08092	7.7
111.11752	3.3
117.07021	8.7
119.08593	23.4
121.10156	25.5
123.04467	2.7
123.08079	5.8
123.11683	7.6
125.09639	16.0
131.08571	8.2
133.10120	11.6
135.08038	3.0
135.11687	20.7
137.09642	12.3
137.13322	2.3
139.11211	18.9
145.10118	4.3
147.11720	17.3
149.09518	2.5
149.13269	8.8
151.11208	7.8
153.12770	8.0
155.10599	2.7
157.10077	3.8
159.11729	3.8
161.09666	2.6
161.13290	7.1
163.11244	3.0
165.06888	2.5
165.12775	11.7
171.11720	3.0
173.11920	2.4
173.13258	4.1
175.11244	4.3
175.14787	2.9
179.14360	5.8
185.13333	3.8
189.11209	7.3
189.12798	2.9
193.12274	3.3
205.06456	2.8
207.13919	5.6
221.06076	3.6
221.15120	3.2
231.21072	5.0
241.19470	4.3
249.05490	3.5
249.22192	6.9
259.20551	10.8
265.08704	4.3
277.21646	70.5
295.06152	4.3
295.09668	6.6
295.19687	4.9
295.22699	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	295.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99339	0.4
52.04622	0.5
53.03929	1.5
55.01855	2.0
55.05499	0.6
56.30242	0.4
56.59765	0.4
57.03436	3.4
57.07065	0.6
59.04983	0.6
61.02927	6.1
63.80567	0.5
65.03922	0.6
65.33431	0.5
69.03082	1.0
69.03429	12.9
69.07066	8.3
70.06584	0.9
71.04986	1.4
71.58513	0.9
72.08141	0.8
73.02898	2.2
79.05492	0.9
81.03425	4.7
81.07063	0.9
84.04500	0.6
84.08118	1.4
85.02908	53.1
86.09708	3.5
87.04461	1.4
87.08108	7.1
90.53294	0.6
91.03947	2.4
91.05479	8.0
91.82645	0.6
93.07033	0.8
94.52188	0.5
97.02899	14.1
99.04455	1.7
100.62606	0.5
101.02386	0.5
103.03880	0.6
104.46778	0.7
105.07000	1.0
107.04975	0.7
109.02894	4.5
115.03901	1.5
115.05508	0.7
119.04951	4.8
119.08573	0.9
120.08102	0.9
121.06489	1.0
127.03918	12.0
127.76799	0.6
131.27919	0.5
132.10204	0.8
132.11130	0.6
132.95847	1.0
133.06499	0.8
136.07584	28.3
139.05421	0.6
145.04965	10.9
145.06229	0.8
147.04391	2.9
150.07762	2.1
150.96884	0.9
153.05484	1.2
161.06027	0.7
163.03929	1.2
163.06104	0.9
165.07024	4.9
169.03430	0.5
169.06630	0.6
174.04666	0.8
174.96902	1.0
175.03944	0.7
175.07640	0.6
177.06912	0.8
193.06392	3.4
201.05518	0.9
203.04919	1.1
205.04939	2.1
205.06593	3.0
207.06456	0.6
211.07530	0.7
221.05981	74.5
222.06441	2.1
233.05922	1.1
238.06128	0.8
239.07013	6.5
247.06059	0.7
249.05472	40.7
250.05923	1.3
264.08658	1.7
265.08612	0.7
266.05716	2.5
267.06512	11.3
277.04977	24.0
278.05539	0.8
295.06015	100.0
295.16504	2.2
296.06351	2.3
296.11417	2.5
296.65781	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	295.2269
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03945	6.4
55.01876	50.5
55.05262	4.2
55.05515	56.5
57.07069	8.2
65.03947	4.4
65.26833	2.6
67.05508	81.0
69.03426	5.2
69.07079	42.6
71.04990	7.2
71.08639	33.9
77.29014	2.8
79.05492	46.9
81.03429	20.7
81.07063	83.0
83.04990	22.1
83.08617	31.1
85.06560	4.7
85.10175	12.3
89.54771	2.6
91.05483	33.6
92.13692	2.7
92.67227	2.3
93.07059	44.5
95.04985	19.0
95.08614	47.1
97.06532	18.4
97.10189	14.2
99.08099	25.5
102.50628	2.5
105.07043	30.5
107.04951	8.9
107.08590	32.2
107.87521	2.4
109.06535	11.7
109.10162	23.0
111.04429	4.6
111.08086	45.2
113.09672	12.4
117.07021	3.4
119.08595	28.8
121.10153	20.4
123.04427	25.0
123.08061	7.7
123.11726	8.9
125.06040	3.0
125.09650	14.7
129.06969	6.8
131.08569	5.8
133.10153	24.2
135.04390	3.7
135.11711	13.5
137.02356	9.6
137.05974	54.5
137.09584	6.9
139.11171	10.3
143.08554	5.3
145.10117	7.6
147.11703	24.9
149.09612	11.3
149.13272	11.2
151.11198	27.3
157.10088	4.2
159.11722	5.6
161.13326	15.3
163.11172	13.6
165.07056	14.4
165.09198	3.2
165.12752	23.4
171.11685	9.7
173.02350	15.4
173.13187	5.0
175.11119	5.2
175.14865	3.1
177.12741	4.0
179.14316	11.7
185.13339	4.3
187.14813	3.3
189.11250	6.3
189.12798	3.2
189.93340	2.8
193.06534	5.7
193.12115	2.5
193.16043	3.9
199.14891	4.9
203.18021	5.1
213.16270	3.4
217.19505	3.1
221.05972	27.3
221.15309	3.9
228.14775	3.0
231.17477	7.6
231.21060	4.7
239.06964	7.5
241.19557	7.9
249.05424	14.4
249.18521	6.6
249.22076	9.5
259.20612	14.5
265.08466	3.3
267.06482	8.5
277.18060	16.8
277.21622	100.0
286.52396	2.7
295.06009	47.4
295.09729	2.8
295.10818	3.8
295.22736	50.9
303.39496	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	295.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01873	9.9
55.05510	41.7
57.03436	29.7
58.08678	1.1
62.91533	1.1
65.03928	3.0
65.43119	1.1
67.05504	28.7
68.99763	2.1
69.03432	72.4
69.07068	31.5
71.04992	20.3
71.58797	1.5
73.02901	2.7
77.03941	1.1
79.05064	1.4
79.05496	19.8
81.03417	55.9
81.07059	31.8
82.03722	1.9
82.04198	23.3
83.04983	54.2
83.08619	18.5
85.02905	25.3
85.06529	4.2
87.75794	1.1
91.05483	23.5
93.07045	36.2
95.01330	2.8
95.04967	12.3
95.08606	37.9
95.70557	1.0
96.96832	1.0
97.02892	10.0
97.06531	14.5
99.04459	4.9
99.08088	7.5
103.05457	3.6
105.07021	11.4
107.04940	4.2
107.08596	8.6
109.02861	1.8
109.06532	6.6
109.10167	1.7
111.04448	15.9
111.08080	100.0
113.09638	12.7
115.05490	1.7
117.07013	9.6
119.04944	1.5
119.08579	3.4
119.85440	1.1
121.06510	5.6
121.10107	3.6
123.04442	3.5
123.08077	20.9
125.06035	2.3
125.09615	1.3
127.03886	3.1
127.07557	10.6
129.07011	1.4
131.04912	3.0
131.08578	1.9
133.05606	1.3
133.06445	5.4
133.10133	2.0
135.08054	21.2
135.11670	1.3
139.07542	88.0
141.09105	72.2
143.08562	2.6
145.06512	1.7
145.10127	4.0
147.04417	2.0
147.08055	3.7
149.06027	2.0
149.09612	2.7
151.07549	30.8
153.05566	1.2
161.09618	3.1
163.03883	1.8
163.07544	3.9
163.11218	4.0
165.07030	3.3
165.09154	1.7
167.07045	2.3
170.53722	1.1
173.09615	2.9
179.10654	2.5
189.09090	2.2
191.10643	13.5
193.06477	3.1
207.10156	24.7
209.11719	45.0
221.05980	24.7
221.07968	2.3
222.06482	1.4
225.11243	8.4
239.06998	1.8
249.05495	14.9
265.08578	2.0
267.06604	3.1
277.05038	2.7
285.07605	1.8
295.06155	36.2
295.11801	43.0
296.18503	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
57.03441	52.6
61.02927	19.8
69.03435	56.7
70.12975	13.1
70.13368	12.2
71.01366	5.8
73.02921	100.0
85.02913	79.6
91.05540	6.3
97.02889	67.6
109.02916	9.0
115.03929	56.0
126.19982	5.4
127.03922	19.8
133.04955	20.9
136.07608	8.8
145.05000	9.6
197.19051	5.4
221.05981	19.6
249.05528	11.5
295.06076	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.32998	4.1
52.25241	4.1
57.03441	60.4
61.02916	12.6
65.16196	4.2
69.03433	65.8
71.01338	10.0
71.32718	6.7
73.02926	100.0
81.56870	4.4
85.02912	84.7
87.04447	6.2
88.70219	5.4
97.02905	77.9
109.02874	6.0
115.03947	63.1
127.03924	21.0
131.04922	5.6
133.04970	18.6
145.04950	10.6
195.02951	5.0
221.06004	8.2
239.02600	4.3
259.76294	4.9
295.06009	18.0
295.09216	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	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
56.05024	0.8
57.03439	12.9
57.07065	1.0
59.04989	1.0
61.02912	2.9
67.05509	1.1
68.27605	0.7
69.03431	14.1
69.07067	1.1
70.06590	3.4
71.01343	3.0
71.04979	1.5
71.57731	1.1
72.93795	1.0
73.02918	28.1
73.43571	1.0
75.65714	0.8
79.05505	1.0
81.03425	1.6
81.07037	1.5
84.04504	8.3
84.08147	3.8
85.02420	1.3
85.02908	17.5
85.03983	0.8
86.09714	3.9
87.04463	2.6
88.03999	1.5
91.05495	4.5
91.45619	0.7
93.07009	1.1
95.04961	0.8
97.02895	14.4
99.04459	1.2
99.97576	0.7
103.05457	0.9
105.07077	0.9
107.04985	0.9
109.02861	1.6
109.10161	1.3
115.03931	17.4
119.04951	3.0
119.08618	0.8
120.08110	23.6
127.03947	3.5
129.10245	1.1
130.05002	1.0
131.04913	1.7
132.95837	1.2
133.04970	4.0
133.07556	0.8
136.07582	13.7
145.04947	2.2
147.04416	4.0
150.07767	6.9
150.96855	0.9
151.03920	0.7
163.03911	0.7
163.06015	0.9
165.05824	1.1
165.06950	4.2
166.08679	9.1
169.06557	0.8
174.96947	1.7
177.07011	1.3
186.09195	1.3
186.96964	1.0
193.06523	3.9
194.07268	1.2
203.04993	1.1
205.06474	4.1
211.07559	0.9
221.05978	69.7
222.06732	2.5
232.09732	1.5
233.05957	3.3
235.07536	2.9
237.09079	3.2
239.07065	7.3
249.05484	36.6
250.06100	1.6
263.07095	1.2
265.08652	6.3
266.05786	2.7
267.06555	10.7
277.04935	20.8
277.07687	1.4
277.15488	0.8
278.05429	0.9
278.10226	1.2
295.06039	100.0
295.09451	7.1
295.12939	2.4
295.16373	1.3
296.06433	2.7
304.27814	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	295.0602
Annotation	Euplectin
Peak:m/z	Relative Intensity
53.48729	0.3
55.01858	0.4
66.17984	0.3
69.03408	0.3
69.71230	0.7
69.71652	1.3
75.35242	0.3
75.77132	0.3
81.03411	0.4
81.07045	0.8
84.94669	0.4
89.66799	0.3
104.05795	0.5
108.12149	0.3
121.10143	0.4
123.08068	0.3
131.04903	1.1
132.05293	0.7
133.05627	0.4
137.02376	0.5
141.07027	0.3
147.04520	0.3
153.07005	0.3
163.03893	0.5
164.47755	0.3
165.07008	10.2
169.06480	0.7
175.05466	0.5
176.06235	0.4
177.07014	0.5
179.04871	0.4
190.58118	0.3
192.05779	0.7
193.06500	5.8
197.05994	0.9
203.04951	1.3
205.06496	1.4
205.08450	0.4
211.07538	1.8
221.05988	93.6
222.06326	1.7
225.05373	0.6
233.05914	0.7
239.07059	3.7
248.04877	0.6
249.05484	46.2
250.06207	2.5
253.04976	1.0
265.08710	0.4
266.05643	1.0
267.06528	5.4
271.06030	2.0
277.04974	10.3
281.04575	1.1
285.07565	5.6
295.06030	100.0
296.06427	2.0
299.05530	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	294.2068
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01875	0.3
55.05495	0.3
57.07066	1.1
65.03929	0.3
66.04723	0.5
67.05492	0.7
70.06442	0.5
70.06839	0.7
71.08618	1.1
79.05479	1.0
81.07062	1.6
88.07603	0.3
89.66030	0.3
91.05518	1.3
94.04206	2.8
94.07314	0.3
97.10207	0.3
98.21452	0.3
105.03323	0.3
105.07031	0.4
107.04964	0.4
107.08604	0.8
108.08927	0.5
109.06516	0.4
119.08607	0.6
122.03657	7.5
123.11733	0.3
129.45139	0.3
137.05988	100.0
138.06317	0.8
141.12775	2.6
151.11217	0.3
158.15411	1.6
170.15440	0.6
190.11502	0.3
259.84195	0.3
276.20428	1.5
294.07999	0.5
294.21060	0.6
303.22968	0.3
317.47748	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	295.0602
Annotation	Euplectin
Peak:m/z	Relative Intensity
50.60645	0.3
51.39142	0.3
53.03915	0.4
55.05518	0.7
62.78254	0.3
67.05496	0.9
69.07053	0.6
69.51360	2.5
69.51678	0.7
79.05502	0.5
81.03413	0.8
81.07063	0.7
91.05471	0.9
93.07064	0.6
95.08605	0.5
97.06524	0.3
103.05446	0.5
105.07012	0.8
107.08590	0.9
109.10230	0.4
117.07070	0.4
119.08646	0.5
120.70376	0.3
121.10131	0.6
123.04468	0.6
123.08037	0.3
130.23390	0.3
131.04904	0.5
132.05302	0.4
133.06499	0.5
133.10147	1.0
137.02333	0.5
137.09651	0.4
141.06960	0.5
151.05435	0.5
153.05515	1.6
160.39513	0.4
163.04021	0.4
163.07510	0.5
165.07010	7.7
177.07050	0.5
179.04955	0.6
180.29559	0.4
192.05838	0.5
193.06467	4.6
197.06042	0.9
203.04927	1.0
205.06465	1.6
211.07556	1.0
220.05260	0.6
221.05988	100.0
222.06429	1.3
223.85561	0.3
225.05392	0.7
225.07684	0.3
233.06018	0.7
235.07547	0.6
239.07008	2.1
249.05479	40.8
250.06219	2.6
253.04877	0.7
263.07043	0.6
264.07587	0.4
265.08600	0.9
266.05786	1.1
267.06512	5.3
271.05994	1.4
277.04987	4.1
281.04471	1.5
285.07584	7.1
295.06033	92.6
296.06332	1.4
299.05554	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	295.0602
Annotation	Euplectin
Peak:m/z	Relative Intensity
53.03942	0.2
58.57560	0.2
62.71508	0.2
67.57645	0.2
69.88974	1.0
69.89388	0.4
74.17307	0.2
81.03430	1.0
82.26041	0.2
83.78713	0.2
84.95703	0.2
97.02882	0.4
100.58325	0.2
105.99190	0.2
107.85355	0.2
117.06990	0.3
136.06177	0.8
141.07033	0.4
153.05490	2.0
153.06679	0.3
160.23027	0.2
162.04123	0.3
164.09631	0.2
165.06993	4.6
175.05371	0.4
176.06087	0.2
177.06985	0.6
179.04874	0.3
183.08054	0.3
192.05733	0.3
193.06493	3.0
197.06015	0.5
200.89160	0.2
203.04948	1.1
205.06470	2.1
210.06685	0.4
211.07527	0.9
220.05225	0.4
221.05983	69.9
222.06271	1.3
224.04573	0.5
225.05510	0.5
231.04420	0.2
233.06036	0.3
236.07022	0.3
238.06186	0.5
239.07030	6.9
248.04726	0.7
249.05479	39.4
250.06056	1.2
251.07161	0.4
253.32832	0.2
266.05753	2.9
267.06528	12.1
268.06998	0.2
277.04968	21.8
278.05438	0.7
281.38721	0.2
294.05334	0.2
295.06015	100.0
296.06366	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	294.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01867	0.4
55.05495	0.5
55.62045	0.3
56.05037	0.5
56.74333	0.3
56.96566	3.8
57.03439	1.5
57.05811	0.4
58.06592	0.5
60.95847	0.3
61.02935	1.0
62.34711	0.3
63.83761	0.3
69.03432	4.5
69.07071	11.8
69.17065	0.3
70.06593	1.0
71.05024	0.7
71.40176	0.5
71.89775	0.3
72.08130	0.4
73.02916	1.3
80.70574	0.3
81.03422	2.0
83.51934	0.3
84.08157	0.7
84.96043	0.4
85.02910	4.6
86.06084	0.4
86.09709	100.0
87.04472	0.4
87.10036	0.3
90.72501	0.3
96.04511	0.6
97.02892	4.6
98.06046	0.4
98.97580	4.3
99.04472	1.3
99.97921	0.5
109.02876	2.5
110.97590	0.5
113.39367	0.3
115.03917	0.4
116.07178	0.3
116.98659	1.9
121.76048	0.3
123.69959	0.3
127.03926	6.0
127.04811	0.5
128.98613	0.8
131.00168	0.5
132.10205	6.9
133.04991	0.5
134.99632	0.6
143.01947	0.4
145.04993	1.3
146.99677	0.4
147.94806	0.4
149.01247	0.4
154.08682	0.4
158.99652	0.8
162.65283	0.3
162.97186	0.4
163.02676	0.3
168.03647	0.3
170.05084	0.3
170.99707	0.4
173.04514	1.3
177.00816	0.6
180.98297	0.3
188.01738	0.3
191.05653	0.5
194.97365	0.3
201.00789	0.5
205.03772	0.4
211.62779	0.3
212.12895	1.1
213.03416	0.6
213.06940	0.3
219.01837	0.5
220.64011	0.3
230.13943	1.7
240.12425	0.4
248.15028	0.6
252.05035	0.5
258.13382	2.6
276.14441	5.2
293.58716	0.5
294.05969	0.3
294.09225	0.3
294.15479	2.4
295.12939	0.3
299.57227	0.3
302.59006	0.4
304.54977	0.3
312.76736	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	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03944	2.1
55.01871	1.2
55.05513	19.2
57.03460	1.4
57.07077	17.6
59.70028	0.6
65.03937	0.9
67.05509	28.8
69.03430	5.0
69.07071	42.9
71.04993	2.2
71.08635	7.3
71.58936	1.0
77.03928	0.9
79.05498	11.6
81.03419	8.0
81.07061	76.4
83.04984	0.8
83.08624	27.9
85.02906	4.4
85.06550	10.1
85.10197	2.8
91.05482	5.8
93.07051	22.6
95.04962	1.8
95.08611	74.4
97.02905	2.2
97.06538	3.6
97.10168	13.7
99.08100	6.2
103.05474	37.6
104.05805	0.9
105.07047	4.1
107.08598	24.3
109.02878	2.6
109.06506	1.3
109.10163	47.5
111.08077	8.0
111.11721	9.4
113.09655	1.0
117.07063	0.6
119.08592	2.5
121.10151	11.8
123.08082	0.9
123.11713	31.5
125.09639	4.3
125.13287	3.7
127.03929	1.4
127.11184	0.8
131.04935	100.0
132.05254	1.9
133.10133	1.7
135.11694	8.4
137.13263	18.6
139.11195	2.0
141.12805	0.6
143.08575	0.6
145.10123	1.1
147.11696	0.7
149.06007	3.2
149.13263	19.1
151.14859	4.1
153.12746	2.2
155.14291	0.7
157.10130	0.9
159.11794	1.0
161.13266	0.8
163.14815	5.7
165.16447	3.0
167.14297	6.3
169.10207	0.7
169.15898	0.9
177.12791	0.7
177.16418	2.2
179.17950	1.7
180.67139	0.6
185.13280	0.7
191.17929	1.0
193.19469	2.1
205.19565	0.8
219.21068	1.4
229.19659	0.6
235.07504	0.6
237.22032	0.9
247.24190	1.2
249.25836	2.4
275.09271	3.1
275.11935	0.6
275.20078	2.0
275.27350	4.8
293.08813	1.9
293.21344	2.5
293.28384	36.2
294.28818	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	293.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90964	1.0
53.03936	3.6
53.39849	1.0
55.01862	4.3
55.05264	2.2
55.05511	26.5
57.06823	1.8
57.07082	20.6
65.03942	1.4
67.05180	2.2
67.05509	31.7
69.03419	6.0
69.07072	52.9
69.07453	2.8
71.04989	2.2
71.08637	9.3
79.05140	1.1
79.05511	15.1
81.03427	8.3
81.07063	93.1
83.08134	2.3
83.08624	33.4
85.02905	3.6
85.06545	17.4
85.10178	2.8
87.82209	1.2
91.05483	6.4
93.07050	30.4
95.04971	4.2
95.08612	90.9
97.06514	4.7
97.10183	17.4
99.08099	12.2
103.05476	37.5
105.07024	6.5
107.08599	34.9
109.02882	2.3
109.06522	3.5
109.10166	51.3
111.08080	14.5
111.11718	8.8
119.08556	4.1
121.09312	1.7
121.10149	20.2
123.11716	43.5
125.09634	4.3
125.13255	3.6
127.03860	1.3
129.07033	1.5
131.04939	100.0
131.08537	1.9
132.05305	2.1
133.10155	2.4
135.11720	7.9
137.13260	26.9
139.11169	1.4
145.10124	2.1
148.78552	1.2
149.06001	3.3
149.09612	1.9
149.13272	25.6
151.14864	4.3
153.12749	3.7
155.14389	1.4
159.11684	1.9
163.14853	6.0
165.16403	3.6
167.14326	11.2
169.15956	1.3
173.13229	1.1
177.16414	2.3
179.17944	2.3
193.19476	1.5
205.19481	1.6
247.24266	1.7
249.25812	3.1
257.19226	1.5
265.09875	1.9
275.09122	4.2
275.20004	5.9
275.27335	5.3
293.04517	2.7
293.09073	4.3
293.12939	3.7
293.21262	2.8
293.28378	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	293.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01857	1.6
55.05513	27.9
57.07079	19.6
64.80895	1.0
67.05506	32.2
69.03418	3.2
69.07069	60.6
69.32864	9.1
71.04985	2.9
71.08646	6.7
79.05495	15.4
81.07059	100.0
83.08620	38.0
85.06062	1.5
85.06546	17.7
85.10178	2.4
91.05511	5.3
91.19042	0.9
93.07047	25.6
95.08611	92.1
97.06531	6.3
97.10172	17.9
99.08100	10.1
103.05472	3.7
105.07026	5.0
107.07861	1.7
107.08594	33.9
109.10159	56.1
111.08090	15.5
111.11721	9.0
113.09640	1.7
121.10155	16.8
123.11714	47.6
125.09629	4.2
125.13300	5.6
131.04936	11.3
133.10139	1.5
135.11682	8.7
137.13258	32.3
139.11169	2.5
147.11604	1.4
149.13257	24.6
151.14822	6.9
153.12746	3.0
163.14856	6.5
165.16396	4.0
167.14322	14.0
177.16451	2.3
179.17957	3.2
191.17996	1.3
193.19476	2.8
194.08247	1.6
205.19612	1.8
207.21028	1.1
211.58386	1.1
219.21030	2.4
237.10173	2.4
237.22141	2.2
249.25780	2.8
265.09732	3.3
275.19949	2.6
275.27368	6.5
293.04468	1.8
293.09161	5.6
293.28387	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	293.2477
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.92239	1.4
53.03942	2.9
55.05509	9.9
57.03422	1.4
57.07062	5.0
65.03944	2.6
65.14509	1.6
67.05509	98.3
69.07065	10.6
71.59821	1.7
79.05495	13.0
81.07063	100.0
83.04964	2.1
83.08608	4.9
85.06544	1.8
91.05470	6.6
93.07059	12.5
95.04942	2.1
95.08617	79.3
97.06516	2.6
97.10165	2.7
105.07024	6.9
107.08598	11.8
109.10162	44.5
111.08041	2.6
117.07030	1.5
119.08579	5.3
121.10173	10.0
123.08143	1.9
123.11724	24.9
131.08562	6.2
133.10141	4.9
135.11694	5.7
137.09593	2.1
137.13283	9.7
145.10135	4.4
147.11671	2.8
149.09615	2.7
149.13255	3.6
151.14859	3.3
159.11719	2.3
161.13280	3.0
163.11220	2.2
163.14899	2.5
165.12788	1.8
173.13245	4.6
177.12935	1.5
179.93405	1.4
182.61884	1.3
187.14867	2.3
191.10641	1.5
201.16216	1.7
203.07451	1.5
209.11702	3.4
237.11163	6.6
243.21117	5.2
261.22131	6.5
266.02170	1.7
275.20227	1.4
293.21170	4.5
293.24786	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.32327	1.3
50.78086	1.5
53.03938	4.2
55.01874	13.2
55.05259	2.4
55.05510	31.0
57.03431	3.8
57.07074	11.6
59.05001	1.9
65.03944	2.1
67.05164	2.9
67.05506	38.6
69.03426	3.7
69.07072	39.8
69.80678	4.2
69.81088	5.4
71.04998	2.7
71.08633	5.6
79.05494	47.5
80.71086	1.5
81.03425	11.4
81.06575	3.1
81.07058	59.3
83.04987	5.7
83.08625	18.8
85.06548	5.2
90.43372	1.6
91.05477	28.8
93.07046	34.9
95.04971	13.4
95.08610	41.9
97.06519	17.3
97.10177	15.6
99.08117	2.3
103.05472	11.7
105.07031	31.6
107.04976	10.0
107.08599	59.2
109.02886	2.6
109.06532	11.1
109.10155	23.3
111.08077	5.1
111.11727	2.7
111.99937	1.5
117.07027	9.8
119.06081	2.4
119.08580	18.7
120.63762	1.5
121.06559	3.6
121.10158	18.2
123.08085	7.1
123.11707	11.8
125.09615	12.5
129.07016	2.7
130.07816	1.7
131.04933	35.2
131.08580	12.9
133.06514	3.1
133.10124	17.3
135.08031	8.4
135.11674	12.2
137.05908	1.6
137.09647	6.1
137.13257	5.2
143.08649	1.7
145.10095	12.9
147.11670	13.2
149.09612	19.7
149.13263	9.5
151.11186	7.7
157.10182	3.8
159.11687	9.0
161.09677	2.5
161.13263	6.6
163.11186	7.4
163.14825	3.6
164.79662	1.7
165.09149	6.4
167.14369	2.7
169.10097	2.9
171.11708	4.0
173.09538	1.7
173.13306	6.3
177.12741	3.9
177.16595	1.7
181.12314	2.2
183.11716	2.3
187.11176	3.2
187.40675	1.6
189.11163	7.8
197.13298	2.1
199.14757	1.7
201.12794	2.1
205.19522	1.9
206.44635	1.8
213.16342	2.0
215.17728	1.8
221.08136	2.3
223.13171	2.1
229.19547	6.6
237.05682	2.1
237.16583	1.7
239.17941	4.7
247.20599	7.9
257.18982	12.5
263.07120	2.8
265.04980	2.2
269.04529	3.7
275.09247	1.8
275.20074	100.0
293.08392	3.1
293.21112	21.3
293.28317	11.7
310.30582	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.85595	2.3
53.03951	3.2
55.01875	10.5
55.05259	5.1
55.05516	62.6
63.00480	2.3
64.57388	2.5
67.05177	2.7
67.05517	42.9
69.07081	10.3
70.20969	5.2
70.21300	4.9
71.05024	2.9
79.05501	84.6
81.07072	29.7
83.04992	13.8
83.08636	19.0
91.05496	28.0
93.07054	36.2
95.04979	6.5
95.08624	10.4
97.10178	29.9
105.07043	28.1
107.04967	39.9
107.05625	4.0
107.08604	65.1
109.06520	4.1
109.10150	17.6
111.08121	2.7
117.07037	11.2
119.08620	19.5
121.06499	2.6
121.10154	15.3
123.08083	4.0
123.11716	9.1
125.09644	30.3
131.08557	15.4
133.10150	17.3
135.08067	8.7
135.11746	3.6
145.10139	7.7
147.11736	15.1
149.09631	88.0
153.09152	7.3
159.11713	9.5
161.13257	6.9
167.10683	3.3
169.12335	5.2
173.11769	4.4
173.13269	5.4
187.11116	3.2
187.13344	3.9
189.11240	23.6
229.19562	7.0
238.67336	2.4
239.18127	4.4
247.20685	3.7
257.19095	20.7
275.20093	100.0
293.21109	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	1.8
54.44249	0.8
55.01868	3.0
55.05305	1.2
55.05522	13.0
57.03440	2.6
57.07069	2.4
62.27816	0.9
65.03943	1.7
67.05512	24.4
69.03411	1.5
69.06719	1.3
69.07075	20.6
70.21824	2.0
70.22215	2.0
71.04984	1.6
72.00649	1.0
79.05505	17.5
81.07068	27.5
83.04984	6.2
83.08615	3.8
85.06561	1.5
91.05485	15.6
93.07052	20.3
95.04990	7.4
95.08613	18.9
97.06518	3.2
97.10147	2.7
98.21425	1.2
105.07038	20.9
107.04945	6.0
107.07941	1.6
107.08605	15.1
109.06521	9.4
109.10173	8.3
111.08093	1.7
117.07010	5.7
119.07798	1.1
119.08598	11.7
121.06515	10.3
121.10168	7.2
123.08114	4.7
123.11694	3.8
125.09619	1.0
129.07047	2.0
131.08586	11.9
133.06517	2.1
133.10146	15.3
135.08072	4.3
135.11694	3.4
137.09634	2.0
143.08542	1.9
145.06512	1.7
145.10136	11.0
147.08066	3.8
147.11681	10.7
149.09624	5.9
149.13278	2.1
151.11212	7.2
157.10117	3.1
159.08015	2.1
159.11693	5.9
161.09601	3.9
161.13249	1.9
163.11168	4.0
165.12779	1.3
169.10048	2.0
171.11691	2.2
173.09668	3.0
173.13278	3.8
175.11101	1.8
175.14795	1.3
177.12727	1.5
179.14224	0.9
183.11710	2.5
185.13316	1.2
187.11130	1.7
187.14812	1.3
189.12640	1.3
191.14288	3.1
197.13237	1.5
201.12807	2.6
203.14381	1.1
205.15981	1.3
207.13843	3.4
215.14299	1.3
217.08348	1.0
217.15779	1.1
219.13776	5.3
229.19510	2.5
233.15424	1.0
239.17981	4.3
247.20613	3.3
257.19064	15.3
275.20093	100.0
276.20389	2.2
293.21109	25.6
294.21414	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	3.8
55.01862	8.5
55.05514	68.2
57.03430	6.7
57.07069	3.3
59.04988	3.5
65.03934	2.8
66.07286	2.9
67.05169	3.8
67.05511	70.9
69.03429	5.8
69.06776	2.7
69.07079	33.4
70.05904	2.2
70.92486	5.5
70.92831	2.4
71.04987	4.0
76.39832	3.1
77.43811	2.3
79.05069	3.8
79.05502	65.8
81.03407	8.2
81.06582	3.5
81.07058	53.9
83.04969	10.5
83.08625	31.1
85.06562	4.5
91.05494	53.7
93.07047	50.6
95.04984	26.8
95.08613	47.9
97.06516	11.2
97.10178	28.0
105.07043	55.7
107.04922	10.9
107.08601	97.5
109.06503	12.3
109.10159	28.0
111.08029	2.9
111.11707	3.7
117.07022	14.9
119.06039	3.7
119.08588	31.6
121.06538	6.6
121.10143	22.3
123.08058	7.4
123.11718	5.8
125.09628	25.0
129.07005	5.5
131.08588	16.2
133.10127	30.5
135.08066	4.9
135.11708	6.7
137.09625	29.1
138.78645	2.5
139.11179	10.1
143.08623	3.7
145.10124	22.9
147.11681	16.9
149.09616	21.2
151.11192	6.5
159.11765	14.3
161.13191	5.8
163.11218	7.0
165.09000	3.8
171.11717	6.3
173.11821	4.1
173.13260	6.1
177.11316	3.0
177.12788	5.1
181.12294	4.4
183.11586	2.9
187.11201	3.6
189.11211	18.6
197.13234	4.0
203.12779	8.2
223.13217	4.7
239.17932	5.8
247.20679	4.7
257.19003	15.5
259.95255	2.7
275.20068	100.0
293.21085	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.57112	2.1
53.03941	6.4
55.01878	18.9
55.05264	2.5
55.05513	32.4
57.03421	2.8
57.07079	24.4
61.65775	1.8
65.03928	2.9
67.05505	39.0
69.03418	2.6
69.07073	20.1
70.83800	6.4
71.04997	3.7
71.13505	2.0
79.05497	49.0
81.03403	9.4
81.07056	40.7
83.04980	9.9
83.08627	13.6
91.05480	36.7
93.07046	34.4
95.04993	13.2
95.08606	27.2
97.06538	20.2
97.10168	16.5
99.08073	3.4
103.05488	3.4
105.07035	38.3
106.65792	2.4
107.04968	13.9
107.08595	71.9
109.02870	2.5
109.06496	8.8
109.10159	15.2
111.04445	8.6
111.08087	6.0
117.07007	10.0
119.08572	20.6
121.06519	5.1
121.10149	15.5
122.03668	3.8
123.08089	5.9
123.11715	5.1
125.06012	2.5
125.09644	16.4
131.04938	5.7
131.08553	12.2
133.10127	18.8
135.04434	2.8
135.08054	7.7
135.11699	6.1
137.05974	34.2
137.09631	5.7
139.11179	3.2
143.08574	3.3
145.06538	2.6
145.10104	15.9
147.08080	2.3
147.11693	17.2
149.09645	21.7
151.11174	8.2
153.05463	8.4
159.11714	11.9
161.13242	7.2
163.11176	9.3
165.09128	7.9
169.10109	2.9
171.11661	2.2
173.13242	5.6
177.12766	4.6
181.04913	9.4
181.12216	3.2
183.11630	2.2
187.11180	4.7
189.11243	11.3
191.10661	12.4
195.10226	4.5
195.81923	2.3
201.12746	2.5
209.11717	24.9
219.10123	2.5
221.08092	3.1
229.19461	5.4
235.07603	2.8
237.11229	36.7
239.17955	5.7
247.20551	4.1
257.19016	12.3
263.07129	2.5
265.18015	3.0
275.20062	100.0
293.21103	27.7
309.75781	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	293.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
54.33675	2.1
55.01873	10.9
55.05258	3.6
55.05515	58.1
57.03448	3.6
57.07075	4.8
60.50716	2.2
62.14351	2.2
65.03928	5.2
67.05509	65.9
69.03428	4.6
69.07069	26.5
71.04990	8.3
71.19900	4.6
71.20226	2.3
72.84972	2.4
79.05497	83.2
79.45917	2.1
81.03412	7.7
81.07063	60.0
83.04964	6.5
83.08633	29.2
85.06548	3.5
90.60999	2.2
91.04968	3.3
91.05489	47.3
93.07050	64.8
95.04977	42.4
95.08607	33.8
97.06532	9.1
97.10188	24.4
103.05473	3.6
105.06399	3.5
105.07044	49.7
107.04957	40.9
107.08604	85.0
109.06508	9.9
109.10156	21.4
110.00528	2.4
111.08073	6.3
117.06989	10.9
119.08592	38.1
121.06464	4.1
121.10153	29.0
123.08069	9.3
123.11695	6.6
125.09627	20.7
129.07043	3.5
131.04909	5.0
131.08575	17.7
133.10132	30.4
135.08049	7.7
135.11722	11.6
137.09607	11.7
139.11197	3.0
141.07033	2.9
143.08580	2.5
145.10147	18.0
147.11673	17.9
149.09637	33.1
149.13286	3.5
151.11195	4.9
153.09082	2.8
157.10172	4.3
159.11649	11.2
160.40648	2.2
161.13258	8.7
161.36241	2.5
163.11215	12.8
171.11743	3.1
173.11829	3.2
173.13245	9.9
175.11163	3.4
177.12836	3.4
182.77791	2.6
183.11749	3.7
185.13306	3.5
187.11092	3.8
189.11272	17.3
213.16409	2.5
215.18074	3.5
223.13354	12.4
229.19540	4.7
239.17938	6.3
245.96297	3.1
247.20761	3.0
257.19080	13.7
263.07123	3.3
267.28928	2.4
275.20074	100.0
276.20547	2.8
293.08234	3.7
293.21097	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.77269	3.0
52.93856	2.7
53.03947	7.0
55.01883	15.5
55.05519	24.1
57.03429	8.5
57.07061	2.8
63.29290	2.8
67.05504	38.3
69.07079	20.8
69.95345	2.6
71.05005	4.3
74.86258	2.5
79.05499	42.6
81.03410	10.7
81.07054	45.7
82.07451	2.7
83.04967	8.1
83.08612	10.3
91.05486	32.5
93.07054	37.4
95.04977	10.7
95.08609	19.9
97.06525	18.0
97.10174	10.4
103.05474	4.8
105.07033	36.6
107.04978	7.5
107.08599	63.9
109.06516	12.7
109.10144	11.0
111.08093	5.6
113.84498	2.6
117.07041	11.2
119.08578	23.8
121.06535	6.2
121.10150	14.6
123.08061	7.0
124.68229	2.8
125.09631	10.4
129.07066	3.6
131.04956	12.9
131.08571	14.6
133.10124	27.4
135.08066	4.4
135.11717	7.9
137.09592	4.3
143.08557	4.3
145.10159	17.4
147.11682	15.6
149.09586	13.5
151.11200	6.5
155.06076	2.8
159.11745	15.7
161.13260	3.7
162.76094	2.8
163.11208	5.1
165.09193	5.6
169.10188	4.2
171.11699	5.8
173.13274	7.7
178.06277	4.4
181.00589	2.7
185.13274	4.3
186.94434	2.7
187.11166	4.3
189.11206	7.2
201.16406	3.0
203.14366	3.4
205.06558	3.6
209.11731	3.2
219.17424	15.5
221.15459	6.9
228.34325	2.9
239.17979	6.1
247.20598	7.6
257.19080	15.6
275.20084	100.0
293.07977	3.2
293.21011	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	6.0
55.01880	19.0
55.05513	27.2
57.03432	1.8
57.07083	4.4
64.42308	1.7
67.05509	38.0
69.03425	5.2
69.07073	25.5
69.93561	4.8
69.93970	3.4
71.04997	2.7
71.08634	2.0
79.05496	46.6
79.05959	2.3
81.03420	12.1
81.07058	40.5
83.04977	6.1
83.08620	13.7
85.02914	2.0
85.06539	2.5
91.05480	32.7
93.07047	35.5
95.04984	10.8
95.08611	29.0
97.06537	29.8
97.10162	14.1
99.08035	1.8
103.05470	7.9
105.07042	39.7
107.04962	15.6
107.06167	1.4
107.08601	73.2
109.06514	10.2
109.10152	11.0
111.08092	2.9
113.79567	1.4
117.07023	11.4
119.08581	17.7
121.06535	6.9
121.10171	14.2
123.04427	2.3
123.08035	6.3
123.11721	3.4
125.09631	15.1
129.06995	2.7
131.04942	19.5
131.08585	12.6
133.10141	19.3
135.08099	9.3
135.11711	7.0
137.09631	4.1
137.13237	1.6
143.08566	3.2
145.06494	2.1
145.10130	16.0
147.11685	10.9
149.09637	19.8
149.13248	3.6
151.11188	9.3
155.08563	1.9
157.10115	4.2
159.08075	1.7
159.11694	12.5
161.13252	3.9
163.11165	8.7
163.14757	1.7
165.09131	10.5
169.10172	2.4
171.11703	3.9
173.09564	1.7
173.13326	5.5
177.12781	4.8
179.14284	1.7
183.11740	3.8
187.11218	6.7
189.11279	8.5
197.13301	1.9
205.06696	2.2
215.14354	2.9
215.18039	2.4
221.08237	1.8
229.19542	5.5
233.15843	1.4
235.07579	1.9
239.17920	7.2
247.20703	9.7
257.19052	14.2
263.07147	2.7
265.22748	1.9
275.20078	100.0
280.16495	1.5
293.07840	2.4
293.21188	20.8
293.27765	2.4
307.14667	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	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	3.2
55.01858	3.3
55.05299	1.3
55.05517	13.4
57.03431	2.9
57.07064	3.5
67.05171	1.8
67.05511	30.3
67.82115	1.3
69.03426	2.6
69.06719	2.0
69.07075	26.3
69.56812	7.1
71.04985	3.8
79.05061	1.3
79.05499	21.4
81.03400	1.5
81.07063	35.5
83.04986	5.3
83.08618	8.4
85.06550	2.5
91.04965	1.6
91.05489	22.1
93.07054	29.0
95.04974	6.5
95.08049	1.9
95.08612	24.3
97.06541	5.6
97.10164	4.9
103.05470	2.3
105.07040	26.6
107.04956	7.1
107.08608	21.8
109.06521	10.5
109.10159	10.0
111.08043	2.1
112.73695	1.0
117.07018	7.0
119.08586	13.2
121.06515	9.2
121.10165	11.3
123.08093	5.1
123.11698	4.1
125.09598	3.1
129.07024	3.4
131.04930	4.3
131.08582	15.8
133.06454	2.9
133.09134	1.0
133.10136	20.6
135.08049	2.5
135.11671	4.4
137.09555	2.4
140.32315	1.1
142.79283	1.1
143.08559	4.9
145.10120	12.5
147.08023	2.3
147.11688	12.6
149.09673	5.2
149.13264	3.4
151.11191	6.9
155.08528	1.9
157.10129	3.9
159.08003	1.8
159.11736	8.6
161.09651	4.3
161.13264	3.2
162.91200	1.2
163.11208	5.7
163.14815	1.8
165.12740	1.3
169.10100	1.9
171.11797	1.3
173.09647	2.4
173.13283	5.2
175.11234	2.0
177.12769	2.8
177.16321	1.1
183.11717	2.7
185.13286	2.7
187.11310	2.1
187.14835	1.7
191.14259	3.3
197.13260	1.5
199.14836	1.1
201.12773	2.7
203.14317	2.9
205.15976	1.5
207.13898	1.8
215.14336	1.6
219.13835	5.2
219.17380	3.8
225.14827	1.4
229.19585	3.1
237.32607	1.1
239.17946	3.1
247.20584	4.7
257.19031	16.1
275.20090	100.0
276.20462	2.7
293.21094	26.2
293.27814	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	293.1166
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03937	0.9
54.81950	0.7
55.01877	3.3
55.05510	1.1
58.61866	0.7
60.04522	1.6
61.01155	14.1
64.38330	0.7
67.05470	0.9
67.55397	0.8
69.03413	1.2
70.06585	1.0
70.88293	1.7
71.04995	1.9
71.06117	0.9
72.04145	1.1
72.04519	14.9
73.02899	2.7
77.00652	0.8
78.03795	32.3
81.03439	3.7
81.07065	0.9
83.04987	3.0
83.17763	0.7
84.08140	2.4
85.02910	20.4
85.03426	1.1
86.06054	4.9
86.09673	0.7
98.02415	1.3
98.06061	2.4
99.04466	15.4
102.03771	45.7
103.02184	4.7
103.03944	31.8
103.04636	1.2
104.01694	1.8
109.02884	5.1
112.07613	0.8
114.03746	5.1
114.05519	2.9
115.05067	0.8
115.08715	1.1
118.03254	1.9
118.56930	0.6
120.04796	8.9
126.05520	39.0
127.03918	11.6
131.06393	22.1
132.04796	19.7
136.06151	0.7
141.06607	2.1
147.05861	2.3
149.07448	100.0
152.07079	5.4
154.08643	4.9
156.06558	2.4
158.02759	1.4
163.03911	0.9
175.05360	5.1
177.12709	0.6
180.06575	26.6
198.07625	7.6
204.07097	0.7
216.08682	5.4
221.08229	0.7
222.07932	1.7
231.11633	7.6
233.09592	1.0
257.09506	3.6
275.10605	7.4
275.13739	1.2
283.40335	0.7
293.11664	80.3
294.11984	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	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03948	0.9
55.01875	0.6
57.03456	0.6
67.05521	0.4
69.03428	1.9
69.07064	0.4
69.70544	1.4
71.04991	0.6
73.02917	0.3
77.03928	0.5
79.05499	0.4
81.03429	2.7
81.07059	0.7
85.02910	1.8
91.05473	0.4
93.07040	0.4
95.04987	1.1
95.08586	0.4
97.02892	1.4
97.06541	0.3
99.04459	3.3
103.05475	31.4
105.07018	0.5
107.08574	0.3
109.02882	1.4
119.08566	0.3
121.10168	0.3
124.43089	0.2
127.03928	1.6
131.04935	100.0
132.05272	0.6
139.27318	0.2
145.04967	0.8
149.06000	5.0
165.66840	0.3
173.09485	0.3
224.98413	0.3
229.73970	0.2
275.09183	1.0
275.20056	0.4
293.10394	1.2
293.20999	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	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01867	0.9
55.05293	0.5
55.05514	6.0
57.03431	0.9
57.07079	3.0
67.05507	7.0
69.03425	5.3
69.06715	0.8
69.07069	10.9
71.04984	1.2
71.33782	0.5
71.60336	0.7
79.05501	4.6
81.02977	0.8
81.03419	10.3
81.07063	21.4
81.96781	0.5
83.08202	0.6
83.08634	6.5
85.02910	5.1
85.06532	3.0
85.10184	0.8
91.05499	3.4
93.07052	6.5
95.04964	1.9
95.08611	20.2
97.02888	1.5
97.06528	1.8
97.10167	3.6
99.04462	0.7
99.08115	1.8
103.05473	35.0
105.07050	2.9
107.08601	6.4
109.02912	2.4
109.06538	1.4
109.09450	0.9
109.10165	12.4
111.08085	2.0
111.11730	1.8
117.07030	0.7
119.08575	2.2
121.10159	3.6
123.11720	7.8
125.09641	1.0
125.13271	0.7
127.03905	1.3
131.04935	100.0
132.05251	0.7
133.10097	1.6
135.11720	2.9
137.13277	6.2
143.08583	0.5
145.10165	1.1
147.04410	0.9
147.11732	1.0
149.05994	2.8
149.13272	3.9
151.14841	1.1
153.12677	0.8
157.10059	0.8
159.11691	0.8
161.13245	0.7
163.14830	1.8
167.14349	1.1
205.19676	0.6
225.38490	0.5
232.52135	0.4
237.05508	0.8
237.10281	0.7
257.18976	0.6
265.05078	0.8
265.09717	1.2
275.09149	4.9
275.20071	2.3
275.27359	1.0
293.04562	1.0
293.09332	1.0
293.21298	1.6
293.28366	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	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03953	1.2
55.01875	0.4
55.05526	1.3
57.03433	0.7
57.07073	0.6
61.02939	0.3
67.05511	2.0
69.03439	3.9
69.07079	3.0
69.81751	0.9
69.82156	0.4
71.04996	0.6
71.45294	0.2
77.03918	0.5
79.05505	1.6
81.03426	7.2
81.07066	5.2
83.08617	1.7
85.02914	5.0
85.06543	0.6
91.05515	1.0
93.07042	1.7
95.04959	0.9
95.08620	3.7
97.02885	1.4
97.06569	0.3
97.10178	0.6
98.21461	0.4
99.04474	0.6
99.08105	0.5
103.05477	37.4
105.04471	0.3
105.07053	1.1
107.08608	1.6
109.02892	2.8
109.06509	0.5
109.10175	1.9
111.08086	0.5
111.11755	0.3
117.07032	0.4
119.08582	1.0
121.10162	1.0
123.08083	0.4
123.11739	1.1
127.03903	0.8
130.06505	0.4
131.04941	100.0
132.05257	0.7
133.10129	0.8
135.08125	0.3
135.11719	0.8
137.13237	0.7
145.10117	0.5
147.11700	0.5
149.06003	2.5
149.09618	0.3
149.13237	0.7
151.11163	0.3
159.11691	0.4
163.14815	0.4
167.14400	0.3
171.92618	0.2
173.13397	0.4
221.08203	0.3
275.06479	0.3
275.09204	3.6
275.20142	1.9
275.27374	0.3
293.04721	0.3
293.10114	0.6
293.21201	0.9
293.28397	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	293.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.3
51.02383	0.4
53.03959	2.0
55.01875	0.5
55.05515	0.9
57.03442	1.1
61.02932	0.4
65.54169	0.2
67.05498	1.5
69.03436	6.3
69.07072	0.7
69.56397	1.9
71.05001	0.8
73.02918	0.4
77.03937	0.3
79.05503	1.1
81.03429	12.2
81.03911	0.6
81.07059	1.9
83.04982	0.4
83.08610	0.4
85.02917	4.2
91.05495	0.9
93.07050	1.1
95.04973	1.0
95.08612	1.3
97.02916	2.3
97.06559	0.4
99.04475	1.4
101.06035	1.1
103.05480	36.3
104.05833	0.3
105.04551	0.3
105.07064	1.5
107.08620	0.8
109.02892	5.5
109.06555	0.4
109.10199	0.8
117.07032	0.3
119.08606	0.5
121.06494	0.4
121.10195	0.8
123.11657	0.4
125.09652	0.3
127.03068	0.3
127.03915	1.7
131.04944	100.0
132.05313	0.7
133.10135	0.8
135.11729	0.6
145.10191	0.4
147.11703	0.4
149.02367	0.5
149.06017	2.7
161.13341	0.4
167.92589	0.3
229.19466	0.3
257.19186	0.3
265.09833	0.3
275.09164	6.6
275.20126	1.8
293.04514	0.6
293.10101	1.3
293.21704	0.4
293.22223	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	293.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
53.03952	1.4
54.71707	0.2
55.01871	0.3
55.05509	0.7
57.03434	0.8
67.05507	0.7
69.03433	3.1
69.07052	0.6
69.54265	1.8
71.04993	0.3
72.88313	0.2
73.02916	0.3
77.03931	0.6
79.05502	0.6
79.46913	0.2
81.03416	4.5
81.07054	1.0
83.80098	0.3
85.02909	3.3
86.09718	0.6
89.36295	0.2
91.05484	0.6
93.07021	0.9
95.04974	1.0
95.08624	0.5
97.02888	1.4
99.04462	0.8
103.05472	32.8
105.07030	0.7
107.08603	0.5
109.02878	1.9
109.06528	0.3
109.10162	0.3
109.57828	0.3
117.06972	0.3
119.08572	0.7
120.08112	0.5
121.10180	0.3
123.08087	0.4
127.03921	1.1
131.04933	100.0
132.05273	0.4
133.10127	0.6
145.10109	0.3
149.01309	0.3
149.02356	1.3
149.05971	2.2
159.11703	0.3
175.07639	0.3
180.10208	0.6
186.82352	0.3
187.11327	0.3
203.06982	0.3
205.06203	0.3
275.09225	2.7
275.12173	0.4
293.10269	1.1
293.21109	0.6
310.81528	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	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01880	0.8
55.05505	0.9
56.96575	0.3
57.03426	1.0
61.02941	0.3
67.05496	1.3
69.03426	3.0
69.53288	2.5
70.03855	0.3
70.06561	0.4
71.04994	0.5
77.03919	0.7
79.05484	1.0
81.03424	5.2
81.07047	1.5
83.04987	0.7
83.08623	0.3
84.08169	0.5
85.02921	2.1
85.06564	0.4
86.61631	0.3
86.68835	0.3
91.05479	1.1
93.07056	1.7
95.04966	1.1
95.08616	1.8
95.44906	0.3
97.02901	1.1
99.04460	0.8
103.05472	33.6
105.07037	0.9
107.08604	1.3
109.02896	2.0
109.10178	1.1
115.05472	0.3
117.06994	0.4
119.04926	0.4
119.08569	1.4
121.10161	1.2
123.08112	0.5
125.05968	0.3
127.03925	0.9
131.04935	100.0
132.05211	0.4
133.10159	0.7
135.08063	0.4
137.09564	0.4
142.12549	0.4
143.08594	0.4
145.02916	0.5
145.10100	0.6
147.04422	0.7
147.11676	0.7
147.52834	0.4
149.05962	1.3
149.09619	0.5
154.66273	0.3
159.11731	0.6
161.95386	0.4
163.11171	0.3
177.05504	0.5
182.09348	0.3
183.34685	0.3
197.94307	0.3
205.06548	0.7
221.07957	0.4
233.06056	0.3
233.15311	0.4
235.07486	0.6
250.06282	0.5
263.07108	1.0
265.09863	0.5
275.09189	2.1
275.20197	0.6
293.04654	0.8
293.07782	0.7
293.10211	1.6
293.13492	0.3
293.21194	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	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
52.79562	0.2
53.03947	1.0
55.01877	0.3
55.05513	0.3
57.03445	0.6
61.02933	0.4
63.56456	0.2
67.05495	0.5
67.97159	0.2
69.03422	1.7
69.07050	0.3
71.05021	0.2
71.59267	0.3
77.03925	0.3
79.05502	0.5
80.08221	0.2
81.03420	2.8
81.07067	0.6
83.04990	0.3
85.02916	1.9
85.06552	0.3
91.05490	0.4
93.07031	0.6
95.04974	0.7
95.08606	0.8
97.02908	0.9
99.04440	0.7
102.04646	0.3
103.05474	33.8
105.07049	0.6
107.08577	0.3
109.02866	1.4
109.10168	0.2
119.08576	0.4
121.10158	0.6
127.03944	0.8
131.04935	100.0
132.05270	0.6
147.04364	0.5
149.06039	1.0
163.03908	0.3
173.05923	0.2
177.05545	0.2
209.12277	0.2
233.08049	0.3
275.09070	1.5
275.12341	0.3
293.10501	1.5
293.13586	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	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.01942	0.4
55.01854	0.4
55.05505	0.4
55.08072	0.4
57.03439	0.7
61.02896	0.4
67.05505	1.0
69.03436	6.0
70.06605	0.7
70.15191	0.4
70.69930	1.3
71.05000	0.8
77.03908	0.4
79.05516	0.7
81.03425	9.4
81.07063	0.9
84.08134	0.4
85.02909	4.4
88.24010	0.4
91.05495	1.1
93.07043	1.0
95.04961	1.1
95.08613	0.4
97.02893	3.0
97.06529	0.4
99.04446	0.7
102.15673	0.4
103.05475	35.3
105.07058	1.1
107.04965	0.4
107.08630	0.5
108.59883	0.4
109.02898	4.3
109.10168	0.5
119.04925	0.4
119.08621	0.3
121.06548	0.5
121.10056	0.5
121.61668	0.3
126.05235	0.4
127.03922	1.7
130.06520	0.4
131.04936	100.0
132.05269	0.9
133.10201	0.4
143.08537	0.6
145.06425	0.4
145.10126	0.6
149.06013	2.6
159.11816	0.6
173.09778	0.4
185.09584	0.4
189.12752	0.4
205.06490	0.5
237.05612	0.5
263.07175	0.4
265.05042	0.4
275.09152	4.6
275.12097	0.6
293.04944	0.4
293.08197	1.5
293.14255	1.6
293.21063	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	293.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.4
53.03950	2.1
57.03432	0.6
61.02909	0.4
67.05512	0.6
69.03437	4.3
70.73717	0.6
70.74068	0.5
71.04955	0.4
77.03912	0.5
79.05513	0.5
81.03423	7.7
81.03907	0.4
81.07063	0.5
83.04996	0.4
85.02908	4.4
91.05477	0.5
93.07059	0.4
95.04939	0.6
95.08612	0.5
97.02901	2.1
97.47906	0.3
99.04459	1.1
103.05475	36.6
105.07053	0.5
109.02891	3.3
115.22476	0.3
119.08578	0.5
121.10196	0.4
127.03944	1.1
131.04936	100.0
132.05289	0.7
133.10164	0.5
135.08055	0.4
149.05957	2.3
154.48386	0.3
155.94496	0.3
158.99754	0.4
170.01216	0.3
170.02682	0.3
176.14932	0.3
177.00671	0.4
180.46831	0.3
235.07599	0.5
275.09189	4.0
275.20154	0.4
293.07751	0.5
293.10602	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	293.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
53.87751	1.4
56.05022	1.6
56.93188	1.5
56.96571	48.3
57.03423	3.9
57.11677	1.9
59.44975	1.6
61.02922	2.9
69.03431	7.9
69.79318	8.5
70.06586	2.4
70.98117	4.9
70.99872	1.4
71.95251	1.8
72.04504	3.2
73.02921	2.9
74.06052	2.2
74.97617	1.6
81.03441	3.7
82.99844	2.8
84.08149	10.4
84.96040	15.2
85.02909	17.1
85.08479	3.6
86.06082	2.3
86.09711	12.4
88.99156	6.3
97.02900	8.1
98.97593	100.0
99.04453	3.0
101.00266	3.0
101.00893	38.6
103.00630	2.9
107.00201	2.0
110.97583	36.5
112.99131	6.9
113.00875	4.9
114.05644	2.1
115.00655	2.2
115.02437	14.5
116.98637	39.4
119.01933	54.9
121.01662	7.7
124.99126	3.2
127.00674	3.4
127.03912	5.6
128.98624	40.9
129.30646	1.6
131.00191	7.6
131.01897	12.2
132.10223	1.7
133.01761	3.4
133.03481	77.4
133.04501	3.7
134.99669	10.2
137.02940	5.2
140.00201	2.0
140.98602	18.2
142.03441	2.2
143.00203	13.6
143.01910	40.6
144.01996	1.8
144.98077	3.7
145.01697	5.5
145.03470	6.8
145.04897	1.7
146.99677	26.7
147.04999	4.0
149.01210	3.4
149.03003	3.1
151.04521	13.0
152.98624	10.7
154.03860	1.7
155.01912	2.4
157.03523	1.8
158.99669	20.2
161.01321	6.9
161.02968	92.3
162.03188	2.3
162.99300	1.6
163.02690	10.4
163.04471	1.4
165.00766	11.5
170.99643	20.9
171.05032	2.8
173.01251	7.1
173.02968	37.5
173.04506	3.2
174.99158	1.7
175.02798	4.2
175.04582	4.2
177.00758	15.0
177.04129	2.1
179.02342	1.9
179.04008	2.0
182.99666	6.4
184.04631	3.3
185.02911	4.2
187.02708	2.1
187.04506	3.4
189.00722	21.9
189.02344	3.5
190.05925	2.0
190.98552	1.9
191.02351	3.6
191.04015	39.1
191.05780	3.8
201.00734	29.3
203.02368	3.0
203.04048	10.1
203.05756	3.4
205.03751	2.8
205.05554	1.9
207.01779	7.5
215.04092	2.7
219.01772	33.1
221.05148	2.0
226.32941	1.7
233.03336	5.1
233.05212	3.3
237.02844	31.3
251.04388	48.4
252.69231	1.5
255.03795	1.9
261.02353	3.3
261.04572	8.2
269.05478	17.2
274.97565	4.4
275.06183	2.4
279.03552	3.1
292.98648	3.5
293.05353	37.4
293.07364	25.7
293.14105	2.5
311.06470	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	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03948	3.4
55.01874	3.4
55.05258	2.5
55.05517	27.0
57.07074	12.0
59.05005	2.3
65.03950	2.2
65.77038	2.5
67.05515	38.6
69.03432	7.5
69.07071	48.1
71.04995	4.4
71.08640	5.7
79.05508	23.2
81.03429	8.6
81.07062	100.0
83.04984	3.4
83.08624	27.2
85.06546	5.9
91.05479	15.1
93.07047	35.6
95.04980	5.8
95.08611	90.4
96.11921	2.2
97.06525	6.8
97.10155	14.5
98.21529	4.3
105.07053	18.2
107.08603	39.8
109.06548	3.9
109.10162	57.4
111.08083	6.6
111.11719	7.3
119.04948	4.3
119.08575	13.1
121.10165	25.3
123.08067	5.1
123.11718	49.2
125.09632	4.8
131.08583	4.2
133.10149	10.1
135.11710	20.5
137.13251	15.2
143.08569	3.0
145.10141	6.0
147.04410	27.3
147.11694	10.7
149.01610	2.5
149.13281	22.3
151.14792	7.1
153.12761	4.8
159.11691	4.4
161.13281	6.5
163.14825	15.5
170.92595	2.5
175.14864	3.9
177.16382	7.5
178.27864	2.6
179.17934	4.1
189.16446	5.1
191.17906	5.0
203.17851	4.5
217.19487	10.9
235.37186	2.4
273.18646	3.9
273.25708	17.7
291.08685	4.8
291.16559	3.1
291.19675	9.5
291.26819	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82872	1.3
60.60803	1.5
61.93794	1.7
63.96852	1.5
69.78732	3.2
69.79152	6.8
98.21537	1.5
98.26405	1.5
112.89613	1.6
119.01903	2.7
143.01883	9.8
149.01251	1.9
155.01950	2.4
160.42863	1.7
161.02940	11.4
172.90840	2.3
173.02968	4.5
186.53314	1.6
203.04039	4.7
245.39241	1.5
293.06345	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	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.02385	0.6
53.03944	6.0
55.01865	1.9
55.05513	12.0
57.03439	1.3
57.07079	4.3
65.03938	1.5
67.05171	1.0
67.05507	15.3
69.03085	0.7
69.03432	14.6
69.07067	29.1
70.56399	1.9
71.04983	4.1
71.08620	1.8
73.06519	0.8
79.05498	8.8
81.03420	60.3
81.07058	39.2
83.04968	1.8
83.08623	10.7
84.04501	1.0
85.02890	1.4
85.06542	4.1
85.10158	0.7
91.05481	16.9
93.06470	1.1
93.07045	18.9
95.04961	2.4
95.08609	37.7
97.02878	2.5
97.06542	5.9
97.10168	3.9
99.04455	2.3
99.08085	2.1
105.06384	0.8
105.07040	10.3
107.04980	1.0
107.08591	16.7
109.02884	17.3
109.06554	3.0
109.10162	19.8
111.08081	6.8
111.11734	4.0
117.07028	2.2
119.04948	26.0
119.08583	9.3
121.06478	0.9
121.10152	11.8
123.08061	1.5
123.11707	15.3
125.09599	1.3
125.13281	1.2
127.03947	3.6
128.06230	0.7
129.06985	1.4
131.08588	3.6
133.10126	5.8
135.08017	1.5
135.11690	10.1
137.09612	1.7
137.13246	6.8
139.11185	2.4
141.72285	0.6
143.08591	1.4
145.10095	3.8
147.04411	100.0
147.11687	5.5
148.04723	1.7
149.09636	0.9
149.13260	7.9
151.11172	0.9
151.14798	1.7
153.12785	3.8
157.10123	1.3
159.11682	2.0
161.13286	3.8
163.14836	5.1
165.05487	2.0
165.12791	1.9
165.16370	0.7
167.14400	0.9
168.59180	0.6
171.11642	0.9
171.78879	0.7
173.13292	1.0
175.14801	1.4
177.16374	2.6
185.13278	0.8
189.09070	1.2
189.16428	1.5
191.17957	1.1
193.15892	0.7
195.17435	0.9
203.17973	1.7
205.19563	1.1
213.16354	1.0
217.19524	2.9
221.18918	0.8
227.18019	0.9
235.20486	0.8
245.08130	0.8
247.24329	0.7
255.17395	0.9
273.18622	2.9
273.25842	5.3
291.08633	43.4
291.19592	7.0
291.23529	1.3
291.26822	23.1
292.08954	1.4
309.02026	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	291.2321
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03943	2.9
55.01860	2.6
55.05288	1.7
55.05516	16.6
55.64528	1.5
57.03431	2.6
57.07066	3.8
59.04987	2.0
67.05515	31.9
69.03423	2.1
69.07068	18.3
69.37640	12.2
71.04995	2.2
71.08616	3.2
72.93292	1.7
79.05057	2.8
79.05499	49.2
81.06577	2.5
81.07062	47.3
83.05030	1.5
83.08614	6.3
85.06528	3.5
88.33470	1.5
90.94820	1.8
91.05495	20.3
93.07055	64.2
95.04985	10.0
95.08043	2.3
95.08621	32.8
97.06526	5.6
97.10141	5.2
98.21561	2.8
99.08079	2.5
105.07034	16.5
107.08608	46.2
109.06530	38.5
109.10155	16.8
111.08067	2.2
117.07030	3.6
119.08600	13.2
121.06516	2.1
121.10156	37.1
123.08089	4.0
123.11700	5.8
129.06979	1.7
131.08572	6.0
133.10146	12.1
133.79254	1.5
135.07993	2.6
135.11714	38.3
137.09645	3.0
139.41225	1.3
143.01245	1.5
143.08525	3.2
145.10139	6.6
147.11674	9.3
149.09662	11.3
149.13266	24.7
151.11229	1.8
157.10143	4.3
159.11726	5.9
161.13266	6.4
163.11235	3.1
163.14803	7.8
165.12790	26.2
171.11676	2.4
173.13248	2.8
175.14851	4.3
177.12743	2.4
185.13289	3.5
189.12846	2.8
199.14835	3.5
203.14339	1.7
231.17532	2.6
235.16882	7.5
241.19656	3.2
249.18704	1.8
259.20612	9.0
291.19894	6.3
291.23218	100.0
292.23685	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	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03938	3.1
55.01859	3.1
55.05518	25.7
57.03428	2.4
57.07077	11.3
59.04995	1.5
65.03927	1.9
67.05509	35.5
69.03426	4.3
69.07072	62.7
69.78985	6.5
71.04990	6.7
71.08621	3.9
71.59933	1.1
79.05057	1.6
79.05495	22.1
81.03432	6.5
81.07061	100.0
83.04971	3.0
83.08626	27.2
84.04482	2.0
84.10925	1.0
85.02890	1.4
85.06548	11.6
85.10194	1.2
88.89319	1.1
91.05481	19.2
93.07050	44.1
95.04989	5.3
95.08609	77.2
97.02905	1.8
97.06544	9.4
97.10175	7.3
99.08078	3.3
103.05518	1.2
105.07038	26.0
107.04948	1.6
107.08601	49.3
109.06537	5.5
109.10160	49.2
109.10920	2.0
111.08076	12.0
111.11707	6.8
113.09641	2.0
113.69127	1.2
115.05456	2.5
117.07030	8.4
119.04941	1.9
119.08591	17.8
119.09370	2.1
121.06519	2.3
121.10148	25.6
123.08053	4.4
123.11711	34.3
125.09614	4.2
125.13261	3.4
127.11167	1.7
129.06992	3.9
130.94125	1.2
131.08577	11.1
133.10155	11.8
135.08032	2.9
135.11700	25.7
137.09593	3.1
137.13246	11.9
139.11157	3.0
141.06998	1.3
143.08533	3.3
145.10144	9.4
147.04390	6.7
147.11691	13.4
149.09608	3.2
149.13280	19.7
151.11154	3.5
151.14812	3.5
153.12737	9.9
157.06454	2.1
157.10161	2.6
159.11696	5.2
161.09613	2.1
161.13252	9.5
163.11223	1.5
163.14810	12.2
165.12750	2.7
165.16428	2.4
167.14308	1.8
169.10182	1.3
171.11717	3.6
173.13223	2.8
175.11217	1.4
175.14796	4.1
177.16364	8.4
179.14355	1.5
179.17906	1.4
181.15874	1.1
185.13248	1.2
189.09093	1.9
189.16357	3.3
191.00084	0.9
191.17934	3.4
195.17368	1.4
199.07503	1.3
203.17947	2.6
205.19614	1.4
207.17621	1.3
213.16351	2.3
217.08664	1.3
217.19543	3.9
219.21187	1.6
229.19614	1.6
235.20551	2.4
237.16422	1.7
243.90088	1.0
245.08116	1.6
247.07684	1.1
247.20573	1.4
247.24275	1.7
248.08401	1.6
255.17453	2.6
271.97879	1.1
273.18582	6.5
273.25757	9.3
291.08429	2.2
291.16614	1.1
291.19708	16.0
291.26822	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	7.1
55.01881	16.6
55.05512	55.7
57.03421	5.2
57.07063	3.0
58.13815	2.0
67.05171	3.4
67.05506	36.1
68.34935	1.9
69.03427	8.4
69.07070	15.6
71.03604	4.5
71.04983	4.8
79.05059	3.5
79.05496	65.8
81.03432	4.3
81.07059	68.9
83.04977	4.9
83.08616	20.7
85.06525	2.8
88.17250	2.2
89.26469	2.0
91.05487	82.2
93.07049	39.8
95.04970	20.6
95.08614	22.8
97.06499	2.3
97.10172	28.8
103.05459	3.7
105.03360	4.6
105.07034	32.3
107.04962	18.7
107.08598	30.3
109.06499	6.7
109.10182	16.5
111.08076	5.2
115.05468	4.7
116.06205	3.2
117.07028	39.6
119.04961	4.4
119.08585	88.0
121.06529	17.9
121.10168	10.6
123.08073	7.3
125.09645	24.5
128.06238	3.3
129.07030	16.6
131.08574	33.4
132.05728	4.5
133.06451	6.9
133.10139	11.7
135.08034	13.3
135.11691	6.9
141.07040	2.5
141.31248	2.5
143.08549	16.6
145.06468	4.1
145.10135	36.9
147.04385	3.0
147.08049	54.5
147.11673	3.7
149.09630	4.7
151.07555	3.2
151.47449	2.2
153.09113	2.7
156.18738	2.0
157.10121	11.3
159.08060	4.9
159.11671	14.4
161.09634	6.5
161.13260	2.7
163.11166	3.2
169.10191	4.1
171.10242	2.6
171.11711	8.7
173.13400	2.4
175.11240	4.2
177.09091	2.5
177.12688	3.0
179.10608	2.0
181.10028	2.4
185.13200	5.2
189.11240	11.2
195.11722	3.5
207.13820	4.8
223.13298	3.9
227.17848	3.5
237.16383	3.8
241.73683	2.0
245.19046	5.1
249.14807	11.8
255.17479	10.1
273.18500	100.0
291.19504	60.8
291.26627	2.3
292.34564	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	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03934	1.0
53.35554	0.7
55.01885	1.6
55.05514	6.6
57.03441	1.0
57.07070	4.0
59.04992	2.4
60.62012	0.7
67.05511	8.6
69.03428	2.4
69.07074	4.8
69.52889	5.8
70.06599	1.2
71.04988	2.8
71.08611	0.9
74.34436	0.7
79.05492	6.6
81.03415	0.9
81.07062	13.3
83.04990	3.0
83.08617	4.1
85.02930	1.3
85.06552	3.6
88.07631	1.6
91.05495	6.6
93.07045	14.8
95.04975	5.1
95.08613	18.3
97.06526	3.6
105.07037	13.8
107.04956	6.5
107.08600	11.2
108.05751	1.7
109.06519	7.8
109.10159	7.3
111.04402	1.2
111.08086	26.6
113.09641	1.6
117.07035	2.7
119.04877	1.3
119.08585	9.9
121.06514	4.0
121.10140	8.6
122.07303	2.0
123.08075	38.8
123.11720	2.8
125.05983	0.9
129.07013	1.8
130.07758	1.4
131.08595	6.1
131.34209	0.8
133.06502	3.3
133.10146	8.8
135.08072	6.6
135.11713	5.2
137.09630	3.3
137.13364	0.7
142.07800	1.6
143.08572	2.4
144.09291	0.9
145.10132	15.3
147.04399	3.1
147.08058	3.4
147.11702	6.6
149.09624	5.1
149.13330	1.8
151.07550	100.0
153.09087	1.0
155.08524	1.6
155.10628	1.3
156.09331	2.1
157.10118	4.7
158.10942	0.9
159.08025	2.3
159.11679	3.3
161.09616	4.1
161.13289	2.3
163.11192	4.3
163.14883	1.1
167.08591	0.9
171.11734	4.4
172.12550	1.0
173.09610	1.9
173.13234	5.0
174.10397	2.4
175.11192	3.4
177.09122	3.0
177.12743	1.1
177.16373	1.0
179.10666	4.9
181.12286	1.4
185.13287	1.0
187.11226	2.7
187.14778	1.6
189.12749	26.0
191.14343	5.9
192.11427	4.5
193.40720	0.8
195.11670	1.0
197.11736	14.2
197.13293	2.1
203.14278	1.8
205.12164	1.7
207.13802	62.6
208.14128	1.0
213.16318	2.2
215.14311	3.9
217.12250	3.2
229.16042	0.8
229.23549	3.6
231.17491	2.2
233.15364	13.3
235.13274	1.8
245.19063	1.1
249.18590	1.2
255.17500	1.9
273.18546	9.3
273.25848	1.6
291.19553	48.1
291.27063	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	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03946	10.1
55.01874	22.4
55.05513	26.9
56.20287	1.7
57.03450	11.6
57.07066	4.6
57.70587	1.9
65.03932	4.2
67.05509	52.7
69.03432	7.1
69.07070	17.9
69.39955	6.2
69.40377	9.1
71.04990	4.8
79.05499	68.2
81.03429	17.8
81.06580	3.0
81.07064	58.7
83.04977	7.4
83.08652	9.8
85.06545	3.9
85.31416	2.2
91.05492	53.6
93.07054	48.2
95.04979	21.8
95.08611	62.6
97.06535	8.9
97.10147	4.6
103.05472	2.0
105.07035	38.4
107.04959	22.7
107.08611	30.9
109.06522	44.0
109.10179	13.7
111.08076	4.7
115.05473	4.9
116.06223	3.6
117.07021	23.5
119.04968	3.7
119.08591	30.4
121.06521	18.4
121.10136	13.1
123.04439	5.2
123.08071	22.5
123.11700	1.8
125.09621	5.0
129.06995	10.8
130.07799	3.1
131.08574	24.0
133.06477	8.4
133.10155	20.6
135.08063	68.0
135.11719	6.3
137.09660	9.9
139.07513	2.3
141.07042	2.8
143.08534	14.5
144.09349	2.1
145.10121	18.2
147.08054	17.4
147.11678	5.9
149.06064	2.0
149.09642	15.9
149.13264	2.7
151.07565	3.2
151.11171	4.0
151.93745	2.0
155.08549	4.0
157.10205	11.3
159.08035	5.7
159.11658	13.6
161.09624	18.9
163.11191	5.8
165.09120	5.6
169.10091	3.5
171.11702	8.3
173.09659	3.7
173.13210	2.2
175.11217	11.4
177.09106	3.0
177.12808	3.1
179.10768	2.7
181.10118	2.8
183.11665	2.2
185.13306	4.3
187.11034	2.6
189.12726	4.9
191.02763	2.2
199.11391	2.7
211.40903	2.2
217.12370	2.6
217.15915	10.3
227.17984	4.3
237.16344	3.1
244.02084	2.0
245.19122	8.2
255.17442	8.5
263.20255	3.1
273.18530	52.9
291.19580	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	291.1958
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.42493	1.4
53.03941	4.8
55.01870	13.9
55.05267	1.7
55.05516	31.0
57.03426	7.3
67.05509	26.4
69.03423	6.0
69.07076	10.4
70.99075	1.7
70.99402	3.3
71.04996	3.7
74.34064	2.0
79.05501	62.8
81.03414	5.0
81.07068	53.6
83.04980	3.6
83.08629	14.0
85.06538	2.5
91.04958	3.0
91.05490	37.8
93.07052	31.2
95.04979	19.7
95.08620	23.7
95.11829	1.7
97.06501	2.6
97.10175	16.5
103.05449	3.7
103.25429	1.5
105.03419	4.9
105.07045	28.2
107.04968	14.2
107.08597	22.1
109.06547	8.4
109.10148	7.0
111.08069	3.3
115.05453	4.4
116.06235	2.9
117.07034	37.7
119.04941	6.3
119.08591	61.0
119.17854	1.6
121.06519	21.2
121.10151	10.2
123.08090	8.2
125.09627	15.8
128.06244	4.9
129.07028	16.1
130.07750	2.1
131.08563	21.0
133.06528	8.7
133.10127	6.8
135.08046	13.5
135.11694	3.4
137.09605	2.0
143.08563	12.2
145.06558	3.1
145.10135	28.3
147.08060	36.9
147.11684	3.3
149.09660	10.8
151.07591	3.8
153.09094	2.6
157.06450	1.7
157.10152	9.8
159.08075	3.8
159.11723	10.2
161.09644	14.2
163.11182	6.0
169.10194	2.1
171.11707	7.5
173.09630	3.4
175.11200	2.6
183.11673	2.3
185.09760	2.5
185.13252	5.1
187.11214	1.9
189.09468	1.5
189.11223	9.4
189.12773	3.4
199.11328	2.3
199.14908	2.5
205.12222	2.4
207.13864	2.1
213.12764	3.5
217.15944	3.7
223.13332	5.6
227.17847	4.1
231.13936	2.1
237.16464	2.2
245.19070	5.0
249.14908	14.1
255.17419	10.4
272.69241	1.7
273.18503	61.5
291.19574	100.0
296.31067	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	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03940	1.1
55.01881	2.1
55.05267	0.5
55.05516	7.6
57.03435	0.7
57.07076	0.5
59.05006	0.3
65.03941	0.7
67.05509	4.5
69.03430	1.2
69.07071	3.0
71.04985	0.8
71.59735	0.3
73.99120	0.2
79.05052	0.5
79.05499	7.4
81.03402	0.8
81.07063	6.6
83.04980	1.1
83.08627	3.6
85.06544	0.3
91.05489	6.6
93.07053	5.9
94.04190	0.4
95.04973	2.8
95.08607	2.6
97.02911	0.3
97.06505	0.5
97.10168	3.2
103.05453	0.3
105.07042	5.9
107.04974	3.0
107.08611	3.6
108.05747	0.6
109.06525	1.0
109.10162	1.3
111.08056	0.4
115.05506	0.3
116.06248	0.5
117.07020	2.1
119.04948	1.6
119.07799	0.4
119.08596	5.0
120.05709	0.5
121.06546	1.9
121.10172	1.8
123.08101	1.2
123.11708	0.3
125.09644	1.3
128.06248	0.5
129.06996	1.4
130.07784	0.8
131.08592	3.3
133.06505	3.6
133.10172	1.5
134.07295	1.2
135.08064	1.1
135.11743	0.6
137.09619	0.4
142.07800	0.3
143.08568	1.1
145.06532	0.6
145.10118	2.5
147.08069	3.5
147.11690	0.7
149.09642	1.2
157.10184	1.3
159.11697	0.6
161.09697	1.2
161.10814	0.3
162.10403	1.6
163.11176	0.5
165.09129	0.5
171.11731	0.5
175.11189	0.7
185.13280	0.5
189.12688	0.4
199.11220	0.4
223.13286	1.1
245.19109	0.4
249.14888	2.6
273.18521	2.6
291.19559	100.0
292.19849	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	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01865	1.5
55.05509	10.1
57.03423	1.9
57.07064	3.1
59.05002	2.4
67.05509	8.1
67.07603	1.1
68.03109	0.9
69.03423	2.4
69.07065	3.8
69.95549	4.8
71.04968	4.0
71.91513	1.0
79.05496	9.2
81.07060	12.7
83.04970	3.3
83.08634	8.6
85.06533	2.2
91.05490	6.4
93.07044	13.6
95.04977	5.2
95.08611	18.9
97.06541	4.3
105.07043	11.9
107.04961	12.3
107.08604	8.9
108.05732	1.4
108.70944	1.0
109.06535	7.3
109.10168	3.5
111.08088	39.5
117.07006	3.2
119.08572	8.1
121.06502	4.2
121.10151	8.4
122.07298	1.3
123.08080	36.4
123.11700	2.6
125.09614	3.4
129.07033	1.5
131.08618	5.8
133.06497	3.3
133.10129	8.5
135.08035	7.4
135.11684	3.4
137.09618	2.5
143.08556	2.9
145.10150	4.5
147.08043	3.4
147.11670	5.7
149.09608	7.5
149.13234	1.5
150.03720	1.1
151.07550	100.0
155.10626	2.0
156.09328	2.0
157.10107	3.6
158.10904	1.3
159.08058	1.8
159.11717	2.1
161.09613	3.3
163.11176	4.3
165.09132	1.2
166.92912	1.1
171.11702	4.5
173.13292	5.2
174.10445	2.6
175.11186	3.9
177.09111	2.9
178.63452	1.0
179.10663	4.3
181.12228	1.3
187.14890	1.8
189.11061	1.7
189.12752	28.2
191.14301	10.5
192.11427	4.3
197.11713	12.4
197.13283	1.4
207.13815	67.0
213.16449	2.0
215.14404	1.9
217.12280	2.9
231.17534	1.5
233.15372	31.1
235.13165	1.5
247.16997	1.1
249.18491	1.8
249.48477	1.0
255.17509	1.7
273.18509	6.7
291.19553	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.3
55.05515	30.7
55.05736	5.6
67.05500	24.6
69.03430	24.1
69.07062	22.4
69.43513	18.3
69.43919	13.7
70.06589	13.8
71.05012	24.3
72.08174	5.8
72.93796	4.2
76.68433	4.1
79.05489	36.2
81.03410	17.4
81.07051	28.4
83.04978	22.4
83.08617	25.1
84.08154	15.4
85.02916	13.4
85.06557	7.4
86.09702	4.9
87.04472	7.9
91.05472	28.3
93.07053	33.6
95.04941	7.9
95.08611	23.3
97.02885	16.9
97.06533	16.9
98.92340	4.4
98.97607	4.7
99.04468	4.9
101.06009	25.2
105.07011	10.3
107.04953	19.3
107.08600	21.8
109.02903	7.7
109.06548	5.0
109.10152	8.3
111.04463	16.0
111.08118	6.5
111.15662	3.8
113.06038	5.8
117.07056	10.8
119.04948	25.5
119.08594	11.4
121.06548	19.5
121.10152	4.5
123.08061	5.7
125.06018	13.5
125.09626	32.8
127.03899	9.7
128.43503	4.3
129.05487	13.0
129.09230	4.5
131.08578	15.8
135.08052	14.9
137.05986	5.3
139.03911	6.1
143.07089	5.5
145.06485	5.4
145.10123	6.3
146.06044	5.2
147.04414	88.9
147.06413	8.4
147.11667	4.9
148.04823	4.6
149.05981	33.4
153.09109	5.7
157.10176	4.3
159.11783	8.0
163.07568	8.0
167.07068	12.4
171.05609	6.1
171.11636	4.9
173.13290	24.1
183.11684	8.2
191.14333	13.1
197.10785	4.9
199.08713	43.4
200.07184	4.8
200.09351	5.7
201.05510	4.7
201.10165	4.3
201.12772	14.5
211.08754	9.6
212.09668	5.3
213.10281	20.2
218.08049	3.9
219.13803	27.3
227.11848	7.1
231.11209	7.1
237.14856	100.0
244.12085	13.1
245.12842	10.4
252.63109	3.8
255.11259	12.3
255.15958	9.7
256.06155	5.4
273.12338	76.9
291.08154	18.2
291.13400	46.0
291.16470	8.4
311.32904	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	291.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	2.5
53.03935	2.8
55.01863	5.7
55.05511	20.5
59.04988	3.4
67.05501	8.5
69.03441	5.9
69.07063	6.8
70.06580	8.5
70.52863	4.8
70.53247	5.1
71.04996	7.3
79.05491	11.9
80.12949	2.6
81.03407	9.6
81.07064	18.3
83.04979	11.5
83.08605	9.7
84.08161	3.1
85.02909	8.1
85.06540	6.2
87.04449	4.7
91.05484	11.6
93.07053	16.6
95.04975	4.5
95.08583	10.2
97.02923	3.7
97.06519	9.2
98.97581	3.2
101.06004	15.3
105.06995	6.6
107.04933	7.4
107.08568	7.9
109.02905	5.6
109.06514	6.5
109.10132	3.7
111.04455	13.3
111.08055	3.6
113.06009	2.5
117.06998	5.8
119.04960	5.5
119.08570	5.9
121.06515	10.4
123.04436	4.0
125.06018	3.5
125.09629	8.3
127.03938	4.5
129.05470	11.0
129.09102	3.6
131.04890	3.4
131.08589	6.4
133.10016	2.6
135.08049	6.8
139.07515	3.4
144.08177	3.1
145.06535	3.0
145.10075	6.5
146.99539	3.2
147.04416	34.8
147.06465	3.0
149.05968	9.4
157.10057	2.9
163.07582	4.5
167.07010	4.4
171.09178	4.0
173.13225	17.5
175.03900	3.3
181.08606	7.8
183.09143	6.7
183.11722	6.1
185.10783	7.5
186.11528	8.4
191.14342	5.4
199.12311	28.7
201.12714	7.8
203.03392	55.0
211.12305	4.9
213.10333	3.7
214.11029	7.4
219.13866	13.6
227.11818	39.0
229.05008	9.1
231.02892	58.6
231.11169	2.6
237.14848	45.3
245.08034	4.4
245.12788	10.3
255.11450	3.7
255.15956	3.5
265.52856	2.8
273.12354	100.0
291.04935	9.6
291.08353	5.1
291.13419	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	291.1342
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
55.05485	0.9
61.02912	1.6
61.43982	0.9
65.80962	0.8
67.05505	1.1
69.03419	3.4
70.06583	2.1
71.58882	1.5
72.08167	1.1
76.27384	1.0
81.03408	2.6
81.07083	1.3
84.04488	1.7
84.08143	4.5
85.02910	2.9
85.95579	0.9
91.05473	3.0
97.02874	1.5
97.30407	0.9
98.98474	1.4
104.97995	1.0
107.04944	1.8
109.02885	2.0
119.04926	4.2
120.08163	1.2
121.06503	1.0
123.04407	1.2
125.09717	1.1
125.10743	3.0
127.03922	6.0
127.10979	1.1
130.06535	1.4
131.08585	1.5
131.39178	0.9
139.03979	0.9
145.06474	1.1
146.06049	1.3
146.34573	1.0
147.04390	13.3
159.09198	3.7
160.09927	1.9
169.04945	1.0
170.08405	1.3
171.09189	1.5
172.09976	1.0
183.09195	3.0
184.09882	4.9
185.07138	2.5
185.10732	1.7
187.08682	3.1
195.09242	1.3
196.10002	3.6
197.10796	4.0
198.07776	1.1
198.11522	4.0
199.08676	54.7
199.12411	3.1
200.07417	1.4
200.09355	8.4
201.00772	2.1
209.10757	2.6
211.08711	10.7
211.12334	1.5
212.09406	3.9
213.10254	22.0
214.10989	3.8
225.10269	1.9
226.11029	6.3
227.11792	8.5
228.10301	1.3
229.09644	2.0
231.02911	1.0
231.11407	1.4
237.10211	1.2
242.10564	4.6
243.11275	2.0
244.12109	19.0
245.12903	13.5
255.11324	10.5
273.12350	100.0
291.08121	4.0
291.13419	47.3
291.16708	3.1
292.13025	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	290.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01857	1.3
55.05496	0.9
57.03430	1.2
62.81818	0.8
65.03925	0.8
67.05481	0.8
68.99815	1.1
69.03424	2.7
69.27232	0.8
70.06577	1.2
71.59283	0.8
72.31506	0.8
79.01854	1.2
79.05502	3.9
80.05014	1.0
81.03410	2.2
82.04179	1.6
83.04984	1.5
84.04115	0.8
84.04514	9.4
84.08131	3.3
85.02898	4.4
86.06076	4.5
86.09695	3.5
91.05483	2.7
92.04999	1.2
93.31313	0.7
94.02944	3.9
95.04961	3.5
96.04494	0.9
97.02878	2.8
103.03935	1.9
105.07034	1.8
105.10957	0.8
107.04961	73.4
108.04411	0.8
109.02894	1.7
110.03673	0.9
111.04456	5.8
118.04154	1.5
119.04919	1.2
120.04491	4.0
120.05729	1.2
121.02861	1.8
121.06528	5.9
122.06025	2.2
123.04440	1.8
125.02335	1.9
126.05497	3.7
127.03860	0.9
128.10785	1.5
131.04958	1.6
132.04483	1.2
132.08446	2.8
133.05305	1.1
133.06483	3.3
134.06030	1.9
135.03119	0.9
136.07632	0.8
137.03416	1.2
139.02913	1.3
139.03905	16.4
146.05997	1.0
147.04425	3.1
150.05513	23.4
151.02629	5.8
152.03435	1.9
153.04274	4.3
153.05368	1.4
157.06459	2.2
158.05984	1.0
159.06764	1.5
160.07549	2.3
165.04225	3.3
166.05013	32.4
166.06442	1.6
168.06691	3.9
170.05945	1.5
178.04968	6.5
183.06798	2.6
184.07582	8.9
185.06023	1.3
186.05602	1.9
186.07454	1.0
189.01663	0.8
199.07523	2.0
199.12378	0.9
200.07071	1.5
201.05574	0.7
201.07730	0.9
202.06290	0.8
202.08626	1.0
202.18721	0.9
211.06308	2.1
212.07051	7.0
213.05431	0.9
216.07820	3.5
216.10205	1.7
217.08615	1.9
222.05310	1.8
223.06293	2.3
226.08714	3.4
227.07089	1.4
228.06583	2.3
228.15897	1.3
229.07404	2.0
238.04839	0.8
239.05746	3.9
240.06551	2.1
241.07349	1.2
243.06456	1.1
244.09700	3.3
246.16998	1.4
254.08162	21.9
257.06866	1.6
272.09189	100.0
273.09485	1.2
273.12292	2.3
290.10239	8.6
291.13455	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	290.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05517	1.1
56.05042	2.7
57.03442	3.3
60.04535	1.2
61.02940	3.4
63.83324	0.5
68.05026	0.6
68.99789	4.7
69.03426	2.2
69.62472	4.1
70.06586	1.7
73.02916	3.0
75.04473	0.6
80.05013	1.6
81.03426	5.1
84.04510	100.0
85.02911	14.5
86.06077	0.9
87.00832	5.2
96.04514	2.3
97.02896	3.0
98.06058	4.3
99.04432	1.6
103.03950	15.4
104.82229	0.6
105.01857	2.7
108.04496	2.9
109.02879	4.1
110.06080	1.1
116.83171	0.6
125.15203	0.6
126.05525	24.7
127.03922	2.7
129.01854	6.1
140.07205	0.7
144.06607	1.7
147.02911	3.1
147.04419	1.1
151.70935	0.7
156.06590	1.5
163.44061	0.6
168.06566	7.0
171.02878	0.9
186.07672	3.1
189.03946	5.6
204.08711	2.6
212.05594	1.1
228.08812	1.2
230.06432	1.0
240.56422	0.6
272.07593	4.1
290.08713	14.2
290.18030	0.6
291.08804	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	289.2273
Annotation	Flabelline
Peak:m/z	Relative Intensity
51.69310	0.2
55.05505	0.4
59.06115	0.7
60.04533	3.2
67.05482	0.9
69.07069	2.2
69.36140	1.6
69.36562	0.7
70.06604	0.4
71.06110	1.1
79.05484	1.1
81.07059	1.7
83.06111	0.2
83.08624	0.4
85.07666	0.3
91.05472	1.3
93.07064	1.7
94.06580	0.4
95.08615	2.5
96.08169	0.2
97.07653	0.4
98.20764	0.4
105.07041	2.9
106.06563	0.2
107.08611	1.8
109.06615	0.3
109.07635	0.8
109.10165	1.2
111.09200	0.5
113.07133	0.5
113.16603	0.2
119.08589	2.6
120.08112	0.7
121.10136	1.1
122.08424	0.4
123.09184	0.7
123.11663	0.3
123.12541	0.3
127.03935	0.6
131.08614	0.5
132.08055	0.3
133.10139	4.5
138.09294	0.3
139.08670	0.6
145.10106	0.4
146.09679	0.8
147.11710	1.7
149.13223	0.6
150.12762	0.5
157.10147	0.7
160.11206	0.7
161.13264	0.7
162.12819	0.3
171.11726	0.5
174.12814	1.4
187.14879	0.3
188.14191	0.3
189.16414	1.7
191.15453	7.3
192.13927	0.3
213.16357	0.5
230.19044	3.0
233.16536	2.5
246.20522	0.3
247.21721	36.0
248.20007	2.5
248.21954	0.3
258.05069	0.3
273.35855	0.2
289.22751	100.0
290.23129	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	289.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17429	7.5
53.54159	7.2
55.02886	9.7
55.05518	15.7
57.38612	8.5
65.80673	8.9
67.05499	22.0
69.07063	18.8
69.72700	44.0
71.04975	13.0
72.10230	7.6
79.05492	22.7
81.07053	58.6
82.43082	8.2
83.04976	19.9
91.05497	18.3
92.28768	8.9
93.07042	65.3
95.04928	9.1
95.08623	50.1
97.06525	28.5
98.21439	14.8
99.04465	22.0
105.07027	32.5
107.08597	42.9
109.06514	26.7
109.55868	8.0
111.08087	26.0
119.08597	28.7
121.06510	80.1
121.10107	10.4
123.08038	9.7
123.11710	10.6
125.05925	13.6
127.07547	9.5
129.06960	7.4
131.08601	18.7
132.38583	7.4
133.10158	21.3
135.08029	12.3
137.06044	10.7
139.07512	17.7
143.07101	10.8
145.10101	9.3
147.11708	50.1
157.08754	8.5
157.10147	23.9
165.12788	23.1
169.12265	12.5
171.11755	12.8
175.11201	38.6
189.12772	26.7
193.12299	25.1
199.11255	27.0
207.13635	16.0
211.13309	29.7
217.12279	100.0
229.14429	21.0
235.13321	80.3
253.14362	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	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.01857	1.4
55.05515	19.3
57.02107	1.2
58.27274	1.3
59.05002	1.7
65.03925	1.4
67.05511	19.9
69.07075	19.9
71.05001	1.8
73.06547	1.8
79.05502	14.4
81.07064	22.6
83.05021	1.5
83.08627	9.2
85.06533	6.0
86.94896	1.2
90.01117	1.3
91.05486	44.7
91.24841	1.3
93.07045	19.1
95.04961	2.9
95.08617	17.0
97.10187	2.1
98.21624	1.8
101.06099	1.2
103.05447	1.8
105.07040	58.5
106.07378	1.2
107.08604	15.0
109.06530	2.2
109.10149	9.9
111.08089	2.8
113.43804	1.5
115.05493	1.4
117.07024	13.8
119.08591	61.1
121.06501	3.8
121.10178	8.0
123.08036	2.5
129.07002	3.1
131.08572	18.4
133.10136	33.0
135.08040	3.1
135.11691	3.1
141.07004	1.9
143.08572	4.8
145.10133	27.6
147.07973	2.5
147.11705	30.8
149.09612	3.1
149.13225	1.5
157.10168	12.5
159.11713	25.1
161.09639	2.5
161.13258	19.3
163.11226	2.0
169.10130	5.0
171.11688	5.6
173.09575	1.2
173.13274	19.4
175.11215	1.6
175.14864	3.3
177.12776	2.5
183.11676	4.3
185.13278	3.5
187.11183	1.7
187.14806	3.0
189.12660	3.1
197.13264	5.0
201.12747	2.5
211.14790	2.7
215.17934	6.6
229.16010	1.7
229.19495	1.4
229.57263	1.8
239.17978	13.9
243.21089	1.6
257.19016	17.0
261.22284	2.7
289.21637	100.0
290.22028	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.2
55.05501	27.8
57.03428	21.9
58.32780	7.3
61.02930	11.9
67.05514	96.7
69.03430	43.0
69.07062	14.2
71.04986	11.9
71.20006	16.9
73.02929	8.8
79.05505	48.4
81.03426	35.9
81.07068	44.5
83.04994	16.4
85.02917	100.0
85.06559	56.5
91.05471	42.6
92.32002	6.9
93.07043	42.4
95.04992	24.1
95.08611	29.4
97.02889	29.7
97.06532	8.1
99.04443	9.5
101.14310	6.8
105.07039	26.1
107.04931	12.4
107.08593	23.3
109.02858	8.2
109.06541	19.1
109.10175	75.4
111.04436	12.9
111.08096	11.0
117.07035	20.9
119.08533	15.5
121.10174	16.2
123.08128	9.3
125.09642	12.4
127.03904	26.1
127.11198	9.3
129.05450	7.0
129.07007	12.5
131.05011	7.6
131.08580	19.7
133.06506	14.3
133.10158	17.9
135.08093	12.2
137.05984	9.3
137.09654	15.6
145.05017	12.4
145.10152	13.6
147.08096	12.1
149.09573	11.3
149.68159	8.2
151.11270	9.7
157.10147	8.4
159.08057	8.1
161.09563	7.7
163.11145	9.3
175.11208	9.7
217.12187	10.1
235.13321	13.4
253.14244	9.2
276.11911	7.3
289.04813	9.5
289.15634	11.8
302.70169	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	289.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05502	1.6
61.01139	2.9
61.20419	0.8
63.02352	1.0
67.01859	1.3
67.05507	1.6
67.87396	0.7
69.03422	1.4
69.07056	2.5
70.06599	12.6
70.77073	2.1
71.04979	2.1
72.08159	2.4
74.02444	4.5
79.05492	2.2
81.03422	1.1
81.07050	3.4
83.04970	2.0
84.04511	2.8
84.08139	8.6
85.02883	1.3
85.06545	1.3
85.08459	1.1
86.09721	0.9
91.05480	2.9
93.07043	2.9
95.04978	0.9
95.08611	2.4
96.93200	0.7
97.06543	1.7
99.04462	0.9
105.07024	2.6
107.04987	0.7
107.08591	2.0
109.02874	1.1
109.06537	1.5
109.10099	1.1
111.08087	1.0
115.05518	0.9
117.07030	1.9
118.06682	6.9
119.01872	1.9
119.08590	2.4
121.06518	1.7
121.10194	1.2
124.07597	0.8
127.03931	2.3
128.06245	2.1
129.07011	23.2
129.10251	5.3
130.06540	16.4
131.08542	1.1
132.08099	3.0
133.10123	1.9
135.04448	1.2
135.08063	0.9
135.11682	0.9
142.06535	2.9
143.07332	1.1
143.08540	1.1
144.08081	12.4
146.06015	14.0
147.11694	1.4
155.02231	1.8
155.07281	1.9
156.08098	62.1
157.08849	3.3
159.06807	1.5
159.09169	5.7
159.11728	1.6
167.07272	3.1
168.08084	12.0
169.07634	16.1
169.09993	1.0
170.06030	4.0
171.09222	2.0
171.11565	1.0
174.09134	4.6
183.09277	1.0
184.07591	53.4
187.11211	1.2
188.07069	10.1
193.07758	1.0
194.05969	1.9
196.07594	5.2
198.05414	1.0
201.10210	0.9
211.08745	5.3
212.07112	1.7
213.10333	4.6
215.06036	0.8
215.06339	0.5
215.08159	21.8
216.10214	100.0
217.09776	1.5
222.05524	1.8
229.08708	0.8
235.13315	1.2
246.18146	1.1
254.08124	1.4
257.09235	14.0
271.10928	1.8
271.14432	1.7
271.17093	1.4
272.09198	7.5
284.56287	0.9
289.06094	30.8
289.11813	9.4
289.15347	2.0
289.18143	3.6
297.46054	0.8
309.43793	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	288.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72878	0.7
56.96564	66.3
60.05651	0.9
62.13460	0.8
69.03407	1.6
70.06601	5.3
70.09478	3.0
70.98131	1.2
72.96030	2.0
74.97612	1.3
79.25299	0.8
84.08134	1.6
84.96045	1.6
85.02898	3.1
86.06099	0.9
86.09695	4.6
97.02877	1.4
98.97587	3.7
101.00884	1.0
110.06064	0.9
110.97566	18.4
116.07067	0.9
116.98660	2.0
119.01923	1.8
126.02322	1.6
126.05522	6.8
126.06457	1.4
127.03937	1.3
128.98605	25.3
131.00180	0.9
132.10199	0.8
133.03540	0.9
137.98660	2.4
140.03827	2.4
142.05334	1.4
144.03333	1.7
145.70726	0.9
146.99655	15.6
149.01218	0.9
155.99695	12.5
156.98088	14.6
158.04919	5.0
159.05125	0.8
160.06468	8.0
161.02885	1.0
165.00716	2.7
170.04930	2.4
174.00764	13.7
174.99146	94.8
175.11986	2.0
176.05983	1.4
178.07486	2.8
188.02322	1.6
188.05995	6.4
192.01830	1.8
193.00211	100.0
194.00597	1.1
198.00763	2.2
199.04642	0.8
206.07004	15.2
211.01234	6.3
216.01744	2.2
224.08064	22.6
252.05540	1.8
255.69287	0.8
270.06427	6.7
288.07553	67.8
288.20215	4.7
289.07794	1.5
306.08597	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	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03940	0.6
53.39012	0.3
53.70802	0.3
55.01871	0.4
61.02926	0.7
69.03426	1.3
70.17488	0.2
70.40334	0.7
71.05002	0.5
71.39465	0.2
72.25092	0.3
73.15501	0.3
77.08054	0.3
81.03414	0.8
85.02906	5.0
91.03951	0.3
97.02912	1.5
98.21437	0.3
101.33609	0.3
102.38055	0.3
109.02900	0.8
127.03922	100.0
128.04245	0.9
145.04996	0.8
212.20683	0.3
284.71136	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	287.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30770	0.4
53.03924	0.6
55.01881	2.1
55.05497	2.0
56.96550	0.4
65.03932	0.6
67.05511	3.9
69.07069	2.3
70.06555	0.5
70.98810	0.8
71.04975	0.7
71.35963	0.4
74.57726	0.4
79.05499	4.5
81.06583	0.5
81.07062	9.1
82.93097	0.6
83.04955	0.7
83.08602	0.7
85.06515	0.4
91.05465	3.1
92.04984	0.6
93.07046	5.1
94.06563	1.7
95.04957	1.6
95.08609	6.8
97.06510	0.8
97.10156	0.5
98.98491	1.1
100.47993	0.4
104.05021	0.4
105.07033	5.7
106.06558	6.9
107.05006	0.4
107.07370	0.6
107.08601	5.0
108.08128	0.9
109.06497	0.7
109.10160	3.1
109.16145	0.4
109.50903	0.4
110.06053	3.2
115.05435	0.6
117.07018	1.5
118.06541	0.8
119.08598	5.6
120.08114	3.4
121.06444	0.6
121.10163	3.9
122.06046	0.9
123.08068	0.8
123.11684	1.6
124.07581	0.6
124.99984	0.5
126.01453	0.4
129.06964	1.3
130.06554	0.9
131.07257	0.6
131.08551	2.0
132.08066	0.5
133.10121	2.9
134.06018	13.4
135.11687	1.6
136.07587	1.7
142.07820	0.6
143.07375	0.8
143.08551	1.7
144.07042	0.7
144.08009	2.5
145.07588	0.7
145.08957	0.7
145.10083	2.8
147.11703	3.1
148.07581	3.0
149.13255	1.4
150.05508	0.8
152.07080	7.9
153.01810	0.7
156.06917	0.5
156.08096	0.7
157.08981	0.8
157.10168	1.8
158.09644	2.6
159.09187	1.0
159.11684	2.9
160.11223	0.5
161.13318	2.2
163.11250	0.6
164.07085	0.5
165.09070	0.6
166.08662	1.5
167.07286	2.1
168.08083	1.8
169.07602	1.0
169.08870	1.4
170.08334	0.8
170.09605	1.1
171.09163	1.6
171.11684	1.5
172.07605	4.5
172.11234	1.2
173.13216	2.5
174.09129	0.6
175.14851	1.3
180.08107	0.4
181.08904	1.2
182.09662	5.5
183.09099	3.1
183.10474	1.5
184.07599	0.8
184.09915	5.1
184.11243	1.0
184.12560	0.5
185.10712	5.2
185.13280	1.3
186.09167	5.1
186.11441	1.2
187.14844	1.4
188.10718	0.5
189.16373	1.1
191.06969	0.8
196.11230	1.2
197.07074	1.1
197.10803	1.0
198.07802	0.8
198.09445	0.5
198.11357	0.8
199.08694	4.5
199.12318	20.5
199.14917	1.0
200.10747	0.8
200.13062	1.6
201.16382	2.0
208.09886	0.8
210.09138	5.1
211.08609	3.7
212.09462	8.9
213.10239	6.0
213.16386	1.3
214.10895	2.7
215.11729	1.3
223.12291	1.5
224.10832	2.5
225.10243	1.1
226.10759	2.0
227.11800	85.4
228.10251	0.7
228.12325	1.7
229.19504	1.1
231.17487	0.6
241.13368	4.4
242.11769	3.2
243.15047	0.6
244.09872	0.9
244.12067	0.9
251.11800	4.5
252.10316	0.8
259.14514	2.5
269.12848	11.1
269.18994	0.6
269.22659	3.6
270.11237	1.8
271.10922	1.0
272.11658	0.8
287.05554	7.5
287.13904	100.0
287.20343	2.2
287.23563	8.8
288.14282	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	287.1388
Annotation	3-sec-Butyl-3-hydroxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
53.03946	0.7
55.01864	1.3
61.46253	0.4
63.00055	0.5
64.99720	0.5
67.05486	1.7
69.07067	0.7
69.54942	1.3
69.55367	1.7
71.08614	0.4
77.19742	0.4
79.05486	2.7
81.07043	1.5
81.82029	0.4
83.04949	0.5
83.08591	0.8
90.87556	0.5
91.05467	1.7
92.05012	0.5
93.07027	1.3
94.06592	2.3
95.04944	0.8
95.08606	1.4
97.06537	0.7
98.98465	0.5
105.07023	1.7
106.06557	6.4
107.08596	1.4
108.08105	1.5
109.10165	0.4
110.06055	3.2
117.05735	0.6
117.07030	0.5
118.06532	1.1
119.08572	1.0
120.04467	0.5
120.08099	2.9
121.10159	0.8
122.06033	1.2
128.06177	0.5
130.06519	0.4
131.07269	0.6
131.08589	0.6
132.08011	0.5
133.10158	0.8
134.06021	12.9
135.11661	0.4
136.07518	1.9
142.07849	0.4
143.07314	0.9
143.08525	0.7
144.08029	2.4
145.06490	0.6
145.07596	0.5
145.08818	0.6
145.10107	0.9
146.06007	0.9
147.11736	0.6
148.07553	2.5
149.09641	0.5
150.05495	1.0
152.06017	0.7
152.07094	7.2
154.06517	0.6
155.08553	0.5
156.08046	0.7
157.08835	0.6
158.09669	2.9
159.09242	0.8
159.11681	0.8
160.07585	0.7
161.13184	0.7
165.06992	0.5
166.08659	1.6
167.07263	2.8
168.08067	1.4
169.07613	0.8
169.08876	1.6
169.10115	0.6
170.08459	1.0
170.09663	1.6
171.09177	1.7
171.11703	0.7
172.07570	4.6
172.09915	0.5
172.11272	1.0
173.08258	0.5
173.13258	0.8
174.09129	0.9
177.06668	0.4
181.08849	1.3
182.08224	0.7
182.09668	7.3
183.09178	3.8
183.10493	1.1
184.07599	0.9
184.08467	0.5
184.09962	4.3
184.11301	1.4
185.10718	5.7
185.12006	0.4
186.09163	5.9
186.11508	1.2
187.14806	0.5
188.10719	0.7
191.07043	1.1
192.41573	0.4
196.11266	1.2
197.07036	1.0
197.10773	1.4
198.07680	0.6
198.09332	0.9
198.11440	1.1
199.08693	4.3
199.12320	19.1
200.10706	1.2
200.13069	1.7
209.08296	0.5
209.10742	0.6
210.09132	4.9
211.08588	4.2
211.10292	0.4
212.09445	9.0
213.10245	5.7
213.13750	0.7
214.10736	2.3
215.11769	1.4
216.10255	0.6
223.12279	1.8
224.10699	3.6
225.10237	1.5
226.11008	1.5
227.07043	1.8
227.11798	84.9
228.10214	0.5
228.12346	1.3
241.13374	5.0
242.11830	2.9
244.09749	1.0
251.11760	4.6
252.10129	0.6
253.09778	0.5
259.14572	2.4
269.12869	10.5
269.19400	0.5
269.22516	0.8
270.11249	1.8
272.05826	3.1
272.11414	0.9
287.05383	3.1
287.08282	7.1
287.13904	100.0
287.23770	1.5
288.14127	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	287.1389
Annotation	3-sec-Butyl-3-hydroxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
51.30770	0.4
53.03924	0.6
55.01881	2.1
55.05497	2.0
56.96550	0.4
65.03932	0.6
67.05511	3.9
69.07069	2.3
70.06555	0.5
70.98810	0.8
71.04975	0.7
71.35963	0.4
74.57726	0.4
79.05499	4.5
81.06583	0.5
81.07062	9.1
82.93097	0.6
83.04955	0.7
83.08602	0.7
85.06515	0.4
91.05465	3.1
92.04984	0.6
93.07046	5.1
94.06563	1.7
95.04957	1.6
95.08609	6.8
97.06510	0.8
97.10156	0.5
98.98491	1.1
100.47993	0.4
104.05021	0.4
105.07033	5.7
106.06558	6.9
107.05006	0.4
107.07370	0.6
107.08601	5.0
108.08128	0.9
109.06497	0.7
109.10160	3.1
109.16145	0.4
109.50903	0.4
110.06053	3.2
115.05435	0.6
117.07018	1.5
118.06541	0.8
119.08598	5.6
120.08114	3.4
121.06444	0.6
121.10163	3.9
122.06046	0.9
123.08068	0.8
123.11684	1.6
124.07581	0.6
124.99984	0.5
126.01453	0.4
129.06964	1.3
130.06554	0.9
131.07257	0.6
131.08551	2.0
132.08066	0.5
133.10121	2.9
134.06018	13.4
135.11687	1.6
136.07587	1.7
142.07820	0.6
143.07375	0.8
143.08551	1.7
144.07042	0.7
144.08009	2.5
145.07588	0.7
145.08957	0.7
145.10083	2.8
147.11703	3.1
148.07581	3.0
149.13255	1.4
150.05508	0.8
152.07080	7.9
153.01810	0.7
156.06917	0.5
156.08096	0.7
157.08981	0.8
157.10168	1.8
158.09644	2.6
159.09187	1.0
159.11684	2.9
160.11223	0.5
161.13318	2.2
163.11250	0.6
164.07085	0.5
165.09070	0.6
166.08662	1.5
167.07286	2.1
168.08083	1.8
169.07602	1.0
169.08870	1.4
170.08334	0.8
170.09605	1.1
171.09163	1.6
171.11684	1.5
172.07605	4.5
172.11234	1.2
173.13216	2.5
174.09129	0.6
175.14851	1.3
180.08107	0.4
181.08904	1.2
182.09662	5.5
183.09099	3.1
183.10474	1.5
184.07599	0.8
184.09915	5.1
184.11243	1.0
184.12560	0.5
185.10712	5.2
185.13280	1.3
186.09167	5.1
186.11441	1.2
187.14844	1.4
188.10718	0.5
189.16373	1.1
191.06969	0.8
196.11230	1.2
197.07074	1.1
197.10803	1.0
198.07802	0.8
198.09445	0.5
198.11357	0.8
199.08694	4.5
199.12318	20.5
199.14917	1.0
200.10747	0.8
200.13062	1.6
201.16382	2.0
208.09886	0.8
210.09138	5.1
211.08609	3.7
212.09462	8.9
213.10239	6.0
213.16386	1.3
214.10895	2.7
215.11729	1.3
223.12291	1.5
224.10832	2.5
225.10243	1.1
226.10759	2.0
227.11800	85.4
228.10251	0.7
228.12325	1.7
229.19504	1.1
231.17487	0.6
241.13368	4.4
242.11769	3.2
243.15047	0.6
244.09872	0.9
244.12067	0.9
251.11800	4.5
252.10316	0.8
259.14514	2.5
269.12848	11.1
269.18994	0.6
269.22659	3.6
270.11237	1.8
271.10922	1.0
272.11658	0.8
287.05554	7.5
287.13904	100.0
287.20343	2.2
287.23563	8.8
288.14282	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	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.41870	0.1
65.35778	0.2
67.01868	1.5
68.99794	1.3
69.51289	0.1
71.31523	0.3
79.05493	0.2
89.03901	0.7
101.54974	0.1
107.04943	0.3
111.00821	0.2
117.03374	0.8
129.07036	0.2
135.04425	4.3
137.02336	0.9
149.23331	0.2
153.01839	11.0
154.78963	0.2
157.06508	0.2
161.02318	1.1
171.02888	0.8
179.03375	0.5
185.05980	0.4
203.03323	0.2
212.40135	0.1
213.05469	0.5
231.06401	0.2
241.04990	0.7
245.04527	0.2
259.06027	0.3
269.04462	0.9
272.44348	0.2
287.05508	100.0
288.05798	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	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
67.01585	0.1
67.01873	1.6
67.05506	0.2
68.99800	1.3
69.07044	0.2
70.32855	0.2
71.04976	0.2
77.12159	0.1
79.05494	0.5
81.03419	0.2
81.07058	0.4
89.03930	0.6
91.05471	0.5
93.07026	0.1
95.08624	0.2
97.02878	0.2
97.99608	0.1
105.07020	0.3
107.04969	0.3
107.08608	0.2
109.10135	0.2
111.00813	0.2
111.04415	0.2
117.03394	0.8
119.04993	0.2
119.08553	0.4
128.06227	0.2
129.01816	0.2
131.08620	0.2
133.10144	0.2
135.04424	4.0
137.02336	1.3
139.05424	0.2
140.11064	0.1
143.08563	0.1
145.06551	0.1
145.10109	0.2
146.18655	0.1
147.04428	0.6
153.01837	10.3
157.06398	0.2
157.10104	0.2
159.11658	0.2
161.02356	1.4
171.02879	0.6
171.04395	0.2
173.13307	0.2
179.03368	0.5
185.05978	0.5
201.16371	0.2
203.03392	0.2
213.05495	0.6
227.11848	0.2
231.06506	0.2
241.04930	1.1
245.04486	0.2
258.05249	0.3
259.06003	0.2
263.05411	0.2
269.04514	0.9
269.07324	0.2
269.12863	0.3
286.04672	0.3
287.05508	100.0
287.23654	0.5
288.05869	1.4
306.75589	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	287.139
Annotation	3-sec-Butyl-3-hydroxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
53.03923	0.6
55.01876	1.0
55.05496	1.0
63.00029	0.7
65.03934	0.6
67.05484	2.2
69.07058	1.5
79.05498	3.5
80.05001	0.9
81.07064	4.0
83.08611	0.6
87.97220	0.5
88.27863	0.4
88.83023	0.5
91.05476	1.7
93.07031	2.1
94.06574	2.5
95.04967	1.2
95.08585	1.7
97.06512	0.7
101.43298	0.5
103.05470	1.3
104.16449	0.4
105.07029	2.5
106.06557	6.8
107.07330	0.6
107.08583	2.1
108.08104	1.8
109.06533	0.7
109.10150	2.1
110.06035	2.7
115.05436	0.6
117.06991	0.9
118.06623	0.5
119.08553	2.6
120.08102	2.5
121.10138	1.9
122.06028	1.1
123.11706	0.8
129.06999	1.0
130.06451	0.5
131.04901	1.5
131.07307	0.8
131.08566	1.4
133.07483	0.5
133.10135	1.3
134.06027	14.2
135.11717	0.8
136.03888	0.5
136.07610	3.1
141.06950	0.5
143.07326	1.3
143.08553	1.3
144.08031	2.2
145.07664	0.8
145.08887	0.7
145.10121	1.3
147.11644	1.6
148.07574	2.2
149.13266	0.7
150.05443	0.9
152.07094	7.9
153.01776	1.2
153.06961	0.5
154.04973	1.1
154.06456	0.9
156.08072	0.9
157.08827	0.6
157.10101	0.9
158.08499	0.5
158.09691	2.6
159.09196	1.0
159.11656	1.6
160.04002	0.6
160.07579	0.5
161.13272	0.8
165.06905	0.5
166.08673	1.4
167.07317	2.8
168.08051	1.5
169.08849	1.7
170.09680	1.3
171.01430	2.6
171.09161	1.8
171.11717	1.2
172.07588	5.1
172.11215	1.3
173.08435	0.8
173.13245	0.6
174.09082	0.6
181.08919	0.9
182.09680	6.0
183.02863	0.8
183.09097	3.3
183.10492	1.4
184.07611	0.7
184.09854	4.8
184.11269	2.1
185.10759	6.2
185.13284	1.1
186.09151	6.5
186.11525	1.1
188.10718	0.8
191.07014	2.2
196.11226	1.3
197.07080	1.0
197.10756	0.8
198.09245	0.7
198.11418	0.7
199.08702	4.7
199.12325	19.2
200.10794	1.1
200.13062	1.9
201.16327	1.1
208.09926	0.5
210.09117	4.4
211.08636	3.6
212.09439	8.3
213.10298	6.6
213.14037	0.9
213.16284	0.8
214.10835	2.9
215.11755	1.4
223.12378	1.7
224.10744	2.7
225.10231	1.2
226.10951	1.5
227.11806	83.4
228.12404	2.0
241.09724	0.7
241.13445	5.0
242.11818	2.1
243.14981	0.7
244.09613	0.6
251.11823	4.8
252.10255	1.1
254.10463	0.7
259.14459	2.5
261.13400	1.1
269.12851	10.2
269.15561	0.8
269.22562	1.4
270.11276	1.6
287.05569	7.6
287.13910	100.0
287.20340	2.0
287.23370	3.7
288.14163	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	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05519	2.9
56.05038	1.3
56.92056	0.7
56.96563	11.7
57.03436	3.2
57.07076	1.0
57.22405	0.7
59.05001	3.1
61.02933	6.4
68.05019	1.3
69.03432	6.6
70.06594	16.9
71.04997	4.5
72.08165	1.2
73.02913	1.3
73.06557	1.2
74.97609	1.0
79.05495	1.8
80.05019	1.5
81.03419	2.5
81.07061	10.5
82.05339	2.2
82.06554	0.8
83.06101	11.2
84.04505	1.0
84.08128	1.4
84.96027	1.1
85.02910	8.4
85.03376	1.0
86.06061	0.9
86.09707	0.7
87.04462	1.1
87.08091	1.6
90.84940	0.6
93.04525	7.2
93.20007	0.6
94.98810	0.5
95.04969	0.7
95.06093	16.1
96.04486	0.7
97.02894	5.2
98.97583	10.6
100.03979	0.8
101.69794	0.6
106.02924	1.7
107.05019	0.9
107.06069	2.1
109.02866	1.1
110.07167	100.0
110.73588	0.7
110.97556	2.0
111.05566	1.9
111.07452	0.7
112.06831	0.8
112.07608	13.9
112.08728	3.3
113.09627	0.7
114.05508	1.2
116.98634	5.6
119.01897	1.7
120.06818	0.7
121.07667	0.6
123.04424	1.1
124.03956	29.6
124.07600	7.7
127.03934	2.1
128.98601	2.6
130.08627	2.2
134.99666	2.8
136.06195	1.0
136.07602	0.9
140.07056	5.7
142.01758	0.9
143.01973	0.9
145.01694	0.8
145.04977	0.9
146.09630	0.7
146.99640	1.8
149.01236	0.9
155.04659	5.3
156.03325	14.6
156.07690	12.2
158.99658	3.0
160.02802	1.2
161.01230	1.2
161.02991	1.0
163.02844	0.7
163.12308	52.6
164.05212	2.4
165.54727	0.8
166.06145	1.5
166.55455	0.6
168.03314	3.3
169.04428	1.6
170.99556	0.8
172.94313	0.8
174.04404	23.8
174.99142	1.8
177.00735	3.2
178.03842	0.7
182.03343	1.0
184.02931	1.1
185.01270	0.8
185.09213	8.3
186.04381	35.4
189.00793	1.0
190.13388	7.3
190.95445	1.7
192.05392	4.3
193.00209	2.7
193.13332	0.7
196.04890	0.8
197.05981	0.8
200.05896	1.1
201.00774	1.2
203.03932	0.8
204.05447	37.1
205.05650	1.2
205.07353	2.6
208.14445	11.4
208.96515	1.1
209.06038	1.3
209.12862	1.3
210.15941	0.8
212.02383	1.0
212.15227	0.7
218.06903	1.2
219.01797	1.9
219.11308	2.1
221.05113	0.8
222.06491	2.5
227.06911	2.3
228.05559	0.8
232.96484	2.1
236.13904	8.1
237.02812	1.6
238.54431	0.6
240.10149	1.3
240.17076	8.6
241.06618	0.8
241.15479	1.4
242.08928	0.7
250.97498	0.9
254.15016	19.0
254.18915	0.7
268.04877	1.2
268.16617	0.6
269.15268	0.6
286.06030	4.7
286.09250	7.3
286.14380	3.9
286.17599	69.6
287.05554	0.9
287.11105	3.6
287.17752	1.1
291.07581	1.8
304.07199	0.9
309.08521	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	286.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
55.05501	0.6
67.05505	0.6
69.07059	0.7
69.91702	1.3
69.92113	1.0
70.46119	0.4
72.04375	0.4
79.05467	0.5
81.03416	1.0
81.07062	0.5
95.08621	0.9
107.04977	1.3
107.08594	0.8
107.85108	0.5
113.40043	0.5
119.89244	0.5
131.08580	0.5
139.05392	0.5
141.06964	1.0
148.56897	0.4
152.06129	0.5
153.06950	1.6
155.08601	2.2
165.07008	6.9
166.07433	0.6
168.05701	5.4
171.04416	0.5
171.11734	0.5
179.04930	1.5
179.08591	1.3
181.06573	0.6
182.07318	1.5
183.08064	9.2
183.48993	0.4
187.07205	0.5
193.06468	4.1
194.12622	0.8
195.08017	1.6
196.05206	17.2
197.05998	2.5
199.03883	0.9
207.04427	52.8
208.04807	0.9
208.08855	0.6
209.05878	0.7
209.09657	0.5
210.06831	3.2
211.07555	38.7
213.05482	1.2
215.07100	0.7
221.06003	6.5
222.06500	1.8
223.07535	2.0
224.04663	3.2
225.05542	1.0
225.09132	6.7
226.09875	2.0
227.03397	8.6
228.07893	1.0
230.05890	0.8
237.09198	1.0
238.06180	1.0
239.07047	81.9
240.07550	1.4
241.04982	1.1
242.05751	17.1
242.08247	0.9
243.06503	0.7
243.10159	2.5
253.06232	0.7
253.08633	6.5
254.09344	7.6
255.10103	1.5
256.07388	2.1
257.08099	46.4
258.08487	0.8
269.11670	0.7
271.09659	43.1
272.10040	0.8
286.12009	100.0
287.05484	1.5
287.12445	1.8
301.34155	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	285.2425
Annotation	Tanikolide
Peak:m/z	Relative Intensity
53.51599	1.3
55.05295	1.4
55.05516	12.2
57.03184	2.4
57.03440	30.5
57.07080	62.6
63.00037	2.6
67.05511	18.9
67.08812	1.3
69.07073	14.6
71.08633	46.9
71.58794	2.2
79.05489	3.6
81.03430	1.8
81.07060	22.3
83.08615	9.1
85.06572	1.5
85.10182	21.1
89.06034	5.6
91.05472	4.4
93.07050	5.3
95.04956	2.6
95.08610	34.8
97.10170	7.8
98.98464	1.6
103.07566	3.2
104.25559	1.3
105.07047	4.7
107.08585	2.1
109.10159	16.3
111.11746	4.2
115.92442	1.4
117.07020	1.4
119.08585	3.1
121.10137	2.2
123.11706	5.4
129.06978	1.9
131.08582	3.6
133.10139	3.2
135.11693	1.4
136.54832	1.6
137.13269	2.2
139.33264	1.3
143.08536	2.6
145.10095	2.3
147.11734	3.4
157.10170	2.1
159.11662	2.3
162.06743	1.6
187.11108	1.5
187.14880	1.8
193.12271	2.5
193.19588	2.1
211.20587	6.3
229.21623	8.6
263.13419	1.6
268.10898	2.7
285.07642	11.1
285.18564	6.2
285.24304	100.0
302.75330	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	285.2425
Annotation	Tanikolide
Peak:m/z	Relative Intensity
50.04857	1.1
53.03946	1.5
53.58607	1.1
54.89497	1.2
55.05511	7.9
57.03185	1.9
57.03440	25.9
57.07079	63.0
63.00032	2.3
67.05505	16.7
69.07070	17.5
71.08636	49.3
71.10696	2.5
71.11069	1.3
73.32330	1.0
79.05503	3.9
81.03408	2.3
81.07058	19.2
83.04958	1.4
83.08629	9.3
85.06541	1.4
85.09708	1.9
85.10187	23.2
88.07621	1.9
89.06019	3.3
91.05435	2.0
93.07049	2.8
95.04965	2.0
95.08045	2.3
95.08614	30.3
97.06539	1.5
97.10164	5.5
103.07581	4.0
105.07034	4.5
107.08580	2.2
109.10154	15.8
111.11712	3.1
119.08589	2.2
121.10160	2.2
123.11701	6.0
131.08545	1.6
133.10081	2.7
137.13254	2.8
138.28551	1.3
140.18155	1.1
145.10144	1.8
147.11655	1.4
155.08615	1.2
157.10170	2.1
159.11739	1.5
167.06161	1.2
193.12236	1.5
211.20547	6.4
229.21652	7.8
242.05814	1.3
267.20996	1.4
270.05118	1.3
275.45483	1.2
285.07651	12.1
285.18698	3.3
285.24289	100.0
285.29776	11.6
286.31009	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	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05513	16.5
57.07074	7.8
63.73199	4.9
67.05505	37.1
69.07070	62.8
70.99393	15.8
71.04990	11.3
79.05505	26.0
81.07066	51.6
83.04991	7.6
83.08633	17.8
85.02892	7.1
91.05500	33.6
93.07043	49.1
95.04963	11.4
95.08616	56.0
97.06550	17.8
97.10197	10.0
105.07035	80.5
107.04971	8.1
107.08613	48.0
109.06533	35.3
109.10149	33.2
111.08084	13.1
113.05190	7.2
116.44100	5.9
117.07042	9.9
119.08576	94.5
121.06510	13.6
121.10143	37.7
123.08062	7.6
123.11723	20.3
127.77653	5.3
129.06963	6.3
131.08557	13.3
133.10143	61.5
135.08096	18.3
135.11719	20.0
137.09657	7.1
142.07841	5.9
143.08563	14.2
145.10149	30.3
146.07283	12.2
147.08067	6.8
147.11696	35.2
149.13239	7.4
155.08620	6.0
157.10152	12.3
159.11716	26.2
161.09642	100.0
161.13280	13.6
169.10187	11.5
171.11710	7.9
173.13284	15.9
175.11205	5.8
175.14819	52.1
175.24927	5.8
177.16394	17.2
183.11749	11.0
185.13277	18.7
193.12262	8.4
193.15862	7.7
197.13228	15.0
211.14871	18.2
238.13286	6.4
251.49258	6.1
267.21118	23.4
285.07700	10.4
285.22089	52.1
285.29782	14.5
285.33209	8.2
291.47690	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	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03943	2.4
55.05516	9.9
57.03432	3.5
57.07069	3.1
63.00035	2.7
65.03924	1.5
67.05228	1.4
67.05508	16.1
69.03420	2.1
69.06773	1.3
69.07071	15.6
70.56705	1.2
70.76637	2.7
71.04982	2.9
79.05491	17.8
81.03434	7.2
81.07061	31.9
83.04968	3.1
83.08633	7.3
85.02893	4.5
85.57630	1.1
85.64619	1.4
89.82286	1.2
91.05482	20.6
93.07045	24.3
95.04985	6.6
95.08051	1.7
95.08614	26.1
97.06527	2.4
97.10183	2.5
98.98463	1.4
105.06387	1.8
105.07037	26.9
107.04934	2.3
107.08604	19.7
109.06506	4.3
109.10165	14.9
111.08080	3.3
115.05428	3.1
117.07017	9.5
119.07784	2.1
119.08581	25.5
121.06517	2.5
121.10151	13.3
122.06030	3.7
123.04385	6.2
123.08082	2.7
123.11724	9.3
128.06219	5.7
129.07050	6.9
131.08568	19.2
133.06480	2.0
133.10126	16.4
135.04379	1.3
135.08070	3.0
135.10818	1.4
135.11696	8.2
136.07573	2.5
137.09607	1.6
137.13254	4.2
141.06987	4.5
142.00591	1.5
142.07787	4.6
143.08574	15.0
144.09267	1.6
145.06537	1.6
145.10126	19.9
147.04384	1.7
147.07031	1.3
147.08005	6.7
147.11688	12.0
149.09575	2.7
149.13226	4.7
153.07005	2.3
154.07811	1.8
155.08582	9.7
156.09363	3.0
157.10123	15.0
159.08113	2.3
159.11697	19.0
161.09621	4.9
161.13232	6.1
163.03937	3.0
163.11223	2.2
163.14792	3.4
165.07033	3.0
167.08585	1.6
168.09309	2.0
169.10112	10.3
170.09679	4.1
171.11684	10.6
172.09949	2.4
173.09682	2.0
173.13245	7.1
175.08746	1.5
175.11182	5.5
175.14838	6.7
177.12772	1.9
177.16371	2.7
181.10138	2.4
182.10904	2.9
183.06721	1.6
183.11734	10.6
185.13245	9.1
187.07422	1.6
187.10915	1.5
187.12326	5.3
187.14818	10.5
189.12788	4.3
189.16336	2.6
193.12247	5.7
195.11766	1.5
196.12494	1.5
197.13239	11.8
198.09164	18.9
199.14822	7.7
200.09332	2.3
201.12732	3.0
201.16446	2.6
203.14380	4.0
209.13258	1.8
211.13223	2.2
211.14845	11.3
212.10793	3.6
213.16394	6.1
215.11798	14.8
215.14262	4.1
215.17953	17.7
217.15858	2.9
225.16373	6.7
226.08632	4.6
227.17931	5.8
229.15868	7.0
239.07002	2.0
239.14206	1.5
239.17899	2.7
240.10281	2.9
241.19525	3.3
242.05818	2.8
243.11310	56.6
243.17551	1.7
244.11505	1.6
257.12845	2.6
257.19189	1.3
257.22601	8.4
267.06256	1.5
267.21051	30.3
268.10901	1.5
270.05237	1.8
285.07669	18.8
285.12344	46.6
285.18683	4.5
285.22122	100.0
286.22473	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	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03937	2.1
55.01878	1.4
55.05505	11.2
57.03424	6.3
57.07062	3.3
58.21332	1.3
58.96789	1.2
63.00046	3.0
65.03921	1.6
66.98898	1.4
67.05504	18.6
69.03445	1.8
69.07072	21.0
69.46941	11.5
71.04968	2.7
75.33508	1.3
79.05494	18.9
81.03403	11.0
81.07064	38.8
83.04978	3.8
83.08620	9.4
85.02893	10.1
85.06541	2.4
89.64868	1.4
91.05486	28.8
93.07043	23.0
95.04971	8.1
95.08607	35.9
97.06522	5.4
97.10152	3.1
103.05474	4.8
105.07030	35.2
107.04947	3.5
107.08597	19.5
109.06514	4.6
109.10159	19.2
111.08073	4.4
115.05458	2.9
117.07005	9.7
119.08575	29.2
121.06527	3.3
121.10151	16.8
123.04414	5.2
123.08097	2.8
123.11706	12.6
128.06198	4.7
129.07004	11.0
131.04939	4.8
131.08578	18.1
133.06522	2.0
133.10130	19.3
135.04408	1.8
135.08026	3.0
135.11705	8.8
136.53810	1.6
137.09679	2.2
137.13252	5.6
141.06982	4.8
142.07803	4.2
143.08585	15.2
145.06479	1.9
145.10143	19.0
147.04405	3.3
147.07991	5.9
147.11685	16.2
149.13202	3.3
153.01836	2.6
154.07706	2.3
155.08568	10.5
156.09337	2.4
156.59206	1.5
157.10136	16.8
158.10904	2.1
159.08014	1.8
159.10449	1.9
159.11697	19.0
161.09608	7.0
161.13264	7.5
163.03888	3.7
163.14725	3.4
165.12758	1.8
167.08519	1.6
168.00551	4.1
168.09341	2.6
169.10139	11.7
170.10956	3.0
171.11757	9.4
173.09544	2.9
173.13251	12.9
175.03909	1.7
175.11169	6.2
175.14796	6.1
177.16423	2.2
181.10097	2.4
182.10899	3.7
183.11703	13.7
184.12566	1.5
185.13321	7.7
186.01581	3.5
187.14850	9.3
189.12724	5.2
189.16391	3.1
191.14238	1.8
193.12247	11.5
196.12488	2.1
197.13271	12.8
198.09158	2.5
199.02359	4.9
199.14888	7.4
201.12695	3.2
201.14584	1.6
201.16382	6.8
203.14233	1.8
211.13199	5.1
211.14842	13.6
213.16402	5.4
215.11841	2.9
215.14273	5.1
215.17961	20.2
217.15886	5.0
225.16386	7.1
227.17924	5.8
229.15924	8.1
237.16356	1.6
239.17882	3.0
241.19418	4.1
242.05771	3.3
243.11314	10.6
247.78961	1.6
252.09457	1.5
253.04868	2.2
257.12570	1.4
257.22647	10.4
267.06647	1.4
267.21069	36.0
268.10886	3.1
270.05212	27.7
285.07593	87.4
285.12177	11.3
285.16736	4.0
285.18661	4.5
285.22107	100.0
286.07932	3.0
286.22345	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.01862	3.4
55.05521	25.5
57.03441	58.2
57.07085	5.3
60.08166	4.4
60.35966	2.0
65.03949	3.5
67.05507	46.9
69.03434	9.7
69.07068	15.6
69.32479	16.6
69.32890	5.9
71.05008	13.8
71.08642	2.7
79.05503	43.2
80.61544	2.1
81.03423	93.9
81.07063	69.5
83.04984	16.8
83.08622	41.8
85.02913	93.8
85.06548	5.1
89.71970	2.3
91.05489	53.8
92.12932	2.3
93.07055	37.4
95.04977	44.9
95.08617	28.2
97.02909	5.8
97.06536	8.9
97.10168	4.5
98.21470	3.7
98.98490	2.4
105.07044	42.7
107.04959	7.0
107.08598	21.2
109.06528	9.1
109.10175	11.1
111.04414	5.0
111.08074	20.0
113.06020	9.2
117.07037	5.3
119.08582	38.6
121.06557	2.6
121.10136	20.7
123.08062	6.1
123.11697	3.6
128.06200	4.0
129.07008	16.8
131.08566	19.9
133.06520	6.9
133.10164	19.2
135.04427	7.1
135.11708	2.9
137.09671	2.9
137.69646	2.3
141.06985	2.9
142.07767	4.1
145.10158	6.4
147.08044	6.9
147.11703	31.5
147.69370	2.4
149.09648	8.1
155.08534	3.0
157.10146	24.7
159.11772	2.6
165.12788	8.4
169.10139	4.3
171.11829	2.4
172.92104	2.4
175.11194	24.4
177.16437	3.2
177.49861	2.2
183.11745	3.0
189.16371	2.5
193.12253	100.0
199.14760	2.7
211.13316	69.8
220.41437	2.1
239.18025	2.6
258.97757	2.2
264.41797	2.5
284.33194	6.3
285.07724	13.6
285.10446	3.9
285.16885	69.0
285.22208	7.1
285.25824	15.2
285.33438	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01860	5.1
55.05513	27.0
57.03440	51.4
57.07067	5.3
63.00025	2.2
67.05507	37.8
69.03428	5.2
69.07067	12.4
70.64871	5.9
71.04999	9.4
71.10128	1.6
79.05498	43.0
81.03423	86.8
81.07063	46.8
83.04989	21.6
83.08626	37.3
85.02913	86.1
85.03435	3.7
85.06541	3.6
85.10204	1.8
85.68000	1.7
91.05490	48.0
93.07046	28.3
95.04976	44.1
95.08609	25.2
97.02892	4.0
97.06531	7.0
97.10177	4.4
105.07043	36.0
107.04971	10.2
107.08617	15.7
109.06535	8.8
109.10157	10.0
111.04442	3.2
111.08080	23.8
113.06011	7.6
115.05463	1.9
117.07027	3.4
119.08583	30.9
121.06458	2.0
121.10150	22.9
123.08086	4.2
123.11707	4.4
125.06075	1.7
129.07021	15.4
131.08569	17.3
133.06500	4.7
133.10135	18.5
135.04430	37.0
135.08092	2.1
137.09618	4.3
137.24017	1.8
142.07724	5.4
143.08444	2.1
145.10127	6.9
147.08026	4.5
147.11696	57.3
149.09633	9.0
155.08617	2.3
157.10146	30.7
158.10651	1.9
159.11697	3.3
162.06856	3.3
165.12772	6.9
168.98863	1.8
169.10104	4.0
171.11726	2.1
173.13258	2.1
175.11194	29.6
183.11754	2.4
187.07419	2.4
193.12263	100.0
211.13293	70.9
211.15269	3.8
239.17969	5.0
267.16098	2.8
285.07581	13.6
285.11209	6.1
285.16882	52.3
285.22116	11.8
285.29498	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01876	5.4
55.05297	3.7
55.05518	33.4
57.03188	4.2
57.03446	60.6
57.07077	3.9
60.35080	2.9
63.00066	2.7
67.05509	48.8
69.03431	7.9
69.07062	10.4
71.04992	9.6
71.21496	4.5
79.05493	46.5
81.03428	95.9
81.07066	59.2
83.04990	27.0
83.08627	38.4
85.02911	93.7
85.06544	6.5
91.05487	58.6
93.07053	40.9
95.04986	48.1
95.08614	27.9
97.02914	4.0
97.06519	8.6
97.10181	6.7
105.07041	45.3
107.04955	10.4
107.08606	16.7
109.06599	5.9
109.10148	8.0
111.08082	26.6
113.06007	8.1
117.06981	3.3
119.08592	39.1
121.10151	18.7
123.08114	3.4
123.11704	7.1
125.09663	3.6
129.07025	15.3
131.08589	18.4
133.06500	4.1
133.10139	15.1
142.07809	4.3
145.10181	5.2
147.08118	3.5
147.11696	43.1
148.19278	3.0
149.09624	9.8
157.10161	25.9
165.12724	8.0
171.01408	7.2
175.11215	30.5
175.14862	3.7
183.11790	2.8
193.12273	100.0
197.13210	3.4
211.13309	79.3
242.05846	3.2
246.27814	3.0
285.07645	18.1
285.16867	67.3
285.22238	12.2
285.29907	4.3
285.33459	9.7
286.17221	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01863	3.6
55.05512	23.0
56.32211	1.7
57.03440	41.4
57.07070	2.9
57.46032	1.8
59.04995	3.2
67.05181	2.2
67.05511	36.3
69.03414	5.0
69.07066	9.0
70.99709	4.6
71.04996	8.0
76.71680	1.8
79.05502	29.4
81.03421	82.1
81.07062	42.6
83.04993	21.1
83.08626	31.0
85.02909	79.8
85.03432	4.2
85.06547	3.0
87.04407	1.7
88.33425	1.8
91.05482	43.4
93.07053	19.8
95.04976	35.9
95.08616	15.1
97.02876	3.3
97.06519	5.9
97.10161	5.1
98.98410	2.6
105.07037	35.2
107.04955	6.4
107.08588	11.2
109.06533	8.6
109.10181	4.3
111.04427	5.4
111.08078	20.1
113.05994	7.3
115.05405	3.3
119.08582	27.6
121.06474	1.9
121.10146	14.5
123.08048	5.1
123.11712	4.1
123.26979	1.9
125.09668	3.7
128.06212	2.4
129.07024	13.1
129.17912	1.9
131.08565	15.1
133.06439	2.6
133.10139	10.6
135.04378	2.5
137.09695	2.4
142.07799	2.7
145.10155	3.1
147.08029	4.9
147.11693	26.4
149.09618	8.8
157.10118	23.0
165.12740	4.7
171.01367	2.1
171.11601	2.3
175.11180	26.4
193.12256	100.0
211.13293	69.4
285.07654	8.8
285.16888	52.1
285.22037	6.2
285.29956	2.5
285.33392	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09918	1.3
53.03940	4.5
55.01865	4.3
55.05518	17.6
57.03182	2.5
57.03441	29.6
57.07062	1.5
59.92725	1.4
65.03940	1.7
65.51566	1.5
65.97610	1.3
67.05513	28.5
69.03429	5.8
69.07068	7.9
69.69202	9.4
70.06588	1.7
71.04993	9.3
74.11747	1.4
79.05498	29.5
81.03423	100.0
81.07060	33.7
83.04985	11.5
83.08628	30.6
84.08166	1.3
85.02423	3.0
85.02914	46.4
85.03425	3.0
85.06530	3.3
91.05486	29.8
92.66395	1.4
93.07056	18.6
95.04982	37.8
95.08604	11.8
97.02881	5.8
97.06529	6.3
97.10174	2.7
99.04406	1.8
99.08112	2.0
99.53642	1.3
105.07042	27.8
107.04957	7.7
107.08603	10.7
107.23090	1.3
109.06525	4.9
109.10161	6.2
111.04445	3.7
111.08091	18.9
113.05997	2.7
115.05462	1.4
115.99451	1.4
117.07013	2.0
119.08585	23.6
121.06513	2.8
121.10139	13.1
123.04457	1.7
123.08054	3.0
123.11703	4.1
125.09637	1.6
128.06206	1.5
129.07016	12.4
131.08568	10.5
133.06490	4.1
133.10155	9.8
135.08148	1.7
137.05965	1.9
137.09613	3.1
142.07780	3.6
143.08562	2.1
145.10097	3.7
147.04419	3.5
147.08060	4.2
147.11687	24.8
149.09586	7.9
157.10149	19.9
159.11690	2.5
163.11212	1.5
165.07030	2.7
165.12779	5.8
169.78981	1.5
175.11186	23.9
176.04643	1.7
187.06306	4.1
193.12256	81.6
199.14914	2.1
202.08662	2.7
211.07411	1.7
211.11305	2.7
211.13316	46.0
225.09132	1.9
229.14235	4.0
239.06982	2.6
257.04352	2.0
257.08228	2.0
267.06458	2.3
267.15900	6.8
285.07635	14.4
285.12079	6.4
285.16916	38.6
285.22110	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01858	6.2
55.05511	19.3
57.03189	2.5
57.03443	30.7
63.00049	1.6
63.81289	2.2
65.03944	3.0
67.05515	28.0
69.03420	5.6
69.07067	11.6
70.06593	2.6
71.04995	11.4
71.20167	4.0
79.05495	29.0
80.04450	1.8
81.03423	100.0
81.07058	36.8
83.04990	10.0
83.08210	2.4
83.08630	29.6
85.02911	42.3
85.06560	3.6
91.04963	2.8
91.05488	35.8
93.07053	18.2
95.04974	36.5
95.08615	16.4
97.02882	5.1
97.06535	5.4
97.10169	4.8
99.04461	2.1
99.08034	2.0
101.69346	1.8
105.07027	26.3
107.04986	10.9
107.08591	12.2
109.02856	2.8
109.06501	6.4
109.10131	6.3
111.04435	6.2
111.08102	13.7
113.05986	3.0
117.06988	3.0
119.08574	23.0
121.02879	12.0
121.06549	2.3
121.10151	14.9
122.03172	4.0
123.03339	2.0
123.08041	4.8
123.11720	4.7
123.50523	2.0
125.09660	2.0
127.03938	2.3
129.06999	15.6
131.08575	14.2
133.06485	3.9
133.10135	12.7
137.09647	2.2
141.06982	1.8
142.07761	4.9
143.08588	3.1
145.10095	4.9
147.08026	3.7
147.11703	19.9
149.09619	7.7
155.08524	2.1
157.10158	18.5
159.11719	2.2
165.12738	5.6
175.11218	24.5
189.16348	3.1
193.12260	83.3
199.14896	2.0
203.03424	3.2
211.11293	3.6
211.13287	42.9
221.05974	3.0
225.09076	3.7
229.14325	7.8
234.99020	2.5
243.11314	2.1
257.04462	6.6
267.15854	5.3
285.07611	6.8
285.12051	4.7
285.16837	33.5
285.21872	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	285.0758
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03947	0.2
55.01850	0.2
55.05485	0.5
57.03411	0.2
57.55728	0.2
61.56177	0.2
67.01877	0.8
67.05482	0.5
68.99763	0.6
69.03429	0.2
69.07041	0.2
70.91466	0.1
71.58349	0.2
72.98823	0.1
74.35540	0.2
75.90257	0.1
77.75513	0.2
79.05473	0.7
79.68828	0.1
81.03431	1.1
81.07028	0.7
83.04948	0.2
83.08613	0.3
85.02887	0.3
86.06032	0.2
91.05459	0.6
93.07065	0.4
95.04946	0.5
95.08591	0.6
96.36046	0.2
97.02884	0.2
97.06492	0.2
98.98435	0.2
105.07046	0.8
107.08572	0.5
108.39613	0.2
109.06475	0.3
109.10155	0.2
117.07047	0.3
118.04147	0.3
119.08566	0.6
119.13808	0.2
121.02870	0.2
121.10106	0.4
123.04430	0.2
123.08056	0.2
129.07013	0.2
131.08572	0.3
133.06512	2.1
133.10126	0.3
135.04449	1.4
135.08081	0.2
142.07777	0.2
143.08521	0.2
145.10107	0.4
146.09665	0.2
147.11697	0.3
149.09644	0.2
153.01842	4.3
155.08597	0.2
157.10109	0.4
159.04453	1.3
159.11723	0.2
165.01901	0.2
165.06973	0.3
171.02930	1.2
171.11673	0.2
175.11147	0.2
177.05472	0.4
184.05196	0.2
193.12245	0.4
197.13217	0.2
199.14899	0.4
211.07445	0.2
213.05418	0.2
214.06218	0.2
217.08696	0.3
221.06093	0.2
225.09094	0.4
239.07048	0.7
241.05138	0.3
242.05759	34.1
243.06239	0.5
243.11310	0.2
253.08614	0.4
257.08142	0.3
261.07639	0.3
270.02225	0.4
270.05258	14.6
285.07599	100.0
286.07922	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	285.0758
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.05490	0.6
67.01862	0.3
67.05497	0.6
69.02728	0.2
69.07053	0.3
71.59085	0.3
79.05479	0.6
80.25200	0.2
81.03400	0.3
81.07053	0.4
85.02910	0.2
91.05456	0.6
93.07038	0.5
95.08598	0.7
105.07008	0.8
107.08601	0.5
109.10143	0.5
111.08023	0.3
118.04126	0.3
119.08575	0.7
121.10133	0.4
129.07057	0.3
131.08560	0.3
133.06496	1.8
133.10115	0.8
134.62398	0.2
135.04463	0.3
142.07799	0.3
143.08566	0.3
143.24344	0.3
145.10114	0.5
147.08044	0.5
147.11711	0.5
153.01831	2.8
153.98434	0.2
155.08476	0.2
157.10194	0.5
159.04422	0.3
159.08038	0.4
159.11705	0.4
160.97578	0.3
161.09622	0.5
169.10172	0.3
171.02861	0.3
171.11662	0.5
183.11705	0.4
185.13329	0.4
193.12166	0.4
197.13225	0.6
199.02380	0.6
203.14346	2.2
215.14304	2.3
225.16328	0.2
229.15872	0.4
230.87418	0.3
239.17999	0.7
241.05003	0.3
242.05756	36.7
243.06284	0.6
243.11285	0.3
257.22656	0.3
270.05252	15.8
285.07596	100.0
285.18423	1.9
285.22134	3.5
286.07910	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	285.0757
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
67.05475	0.3
68.99755	0.4
71.03606	0.5
72.13874	0.2
79.05459	0.2
79.35445	0.2
80.99427	0.2
81.07024	0.2
83.38589	0.2
84.02081	0.2
84.09138	0.2
93.06993	0.3
99.00775	0.6
101.16426	0.2
103.05432	0.9
105.03396	1.4
107.08563	0.5
112.01567	0.4
112.79144	0.2
114.00291	0.2
115.97641	0.2
123.00054	0.2
123.00788	2.3
124.97073	0.2
127.00197	0.7
129.06894	0.2
137.02269	0.3
140.00996	0.6
141.01787	0.3
145.10040	0.3
168.00543	8.4
168.05661	0.5
170.09578	0.4
170.15384	0.6
183.02820	0.4
186.01596	4.3
187.12329	0.3
196.05141	0.4
198.09087	0.7
198.14854	0.8
212.10762	0.2
213.05501	0.3
215.11740	0.7
224.04648	0.3
226.08440	0.2
242.05772	1.7
243.11246	2.8
253.04951	1.1
269.04346	0.8
270.05228	44.9
271.05594	0.7
284.29724	0.3
285.07578	100.0
286.07919	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	285.0758
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.01166	0.2
64.25755	0.2
67.01855	0.6
67.05488	0.3
68.43684	0.2
68.99789	0.3
69.03430	0.3
69.65277	1.2
79.05469	0.3
81.03409	0.4
91.05479	0.8
93.07020	0.3
95.06831	0.2
98.20785	0.4
105.07027	0.4
119.04928	1.3
120.05685	0.5
121.02873	0.8
121.10111	0.2
124.01582	3.2
125.02396	0.3
130.00552	2.6
131.00909	0.6
131.08524	0.3
132.00269	0.6
145.02846	0.9
153.01823	0.5
158.15875	0.2
160.05154	0.3
167.02132	0.4
167.03410	4.3
169.06468	0.3
173.57600	0.2
177.00899	1.5
179.00597	0.5
185.04486	0.5
186.06787	0.4
187.03882	0.8
187.07550	0.2
195.01909	0.7
196.02324	0.4
196.05107	0.3
197.01622	0.2
197.06015	1.4
199.02321	0.9
205.00415	0.4
207.00243	0.2
213.05443	1.3
214.06229	0.5
224.04616	0.3
225.05434	0.5
228.21150	0.2
229.92532	0.2
232.89000	0.2
241.04991	0.3
242.05756	21.5
243.06232	0.6
243.11241	0.2
253.04993	0.3
257.08047	0.4
268.10904	0.4
270.05231	8.3
284.92661	0.9
285.07584	100.0
285.92017	3.8
286.07919	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	285.0755
Annotation	Acacetin
Peak:m/z	Relative Intensity
67.01836	0.4
67.05502	0.1
68.99467	0.1
68.99783	0.1
69.06999	0.1
69.47552	0.1
69.47974	0.5
79.05487	0.2
81.03381	0.1
81.07024	0.2
91.05458	0.2
93.07013	0.1
95.08577	0.1
98.20620	0.1
103.05467	0.2
105.07021	0.2
108.33955	0.1
111.45512	0.1
118.04132	0.1
128.06194	0.1
129.06987	0.1
133.06496	2.1
133.10077	0.1
135.04414	0.4
145.10135	0.1
147.11674	0.1
153.01820	2.9
159.04385	0.3
171.02872	0.2
177.05476	0.2
187.12393	0.1
187.42514	0.1
195.29224	0.1
198.09157	0.4
215.11832	0.2
239.07030	0.2
241.04782	0.2
242.05739	40.4
243.06120	0.5
243.11311	0.9
245.93280	0.1
257.08167	0.2
270.05240	17.5
271.05685	0.3
285.07578	100.0
286.07910	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	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.64059	0.3
55.05505	0.3
56.96570	3.1
57.03426	0.6
61.12096	0.3
69.03423	0.7
70.06585	0.9
70.46191	0.9
71.01318	0.3
73.02905	0.2
77.17191	0.4
82.09045	0.3
84.08204	0.3
85.02897	1.0
97.02938	0.4
98.97593	3.5
102.96887	0.3
103.94255	0.3
109.02926	0.3
109.05106	0.6
110.03533	2.1
110.97571	0.4
116.88424	0.3
116.98619	2.3
119.01889	0.7
128.04544	1.0
128.98605	0.3
134.04666	0.3
134.99670	0.7
135.03033	5.1
136.06165	0.4
146.99655	0.3
147.92513	0.2
150.07756	0.6
152.05682	100.0
153.04077	6.9
155.00157	0.4
170.99713	0.3
177.00844	0.7
186.88318	0.3
188.05850	0.4
189.00644	0.4
206.07047	0.5
208.06604	0.6
219.01984	0.6
224.04219	0.3
224.08023	0.6
226.07704	0.5
243.01901	0.3
256.06979	0.3
260.99911	0.6
261.03113	2.3
265.17798	0.3
278.02478	0.4
279.00766	0.9
284.09924	0.4
284.29590	0.4
302.59125	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	284.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
54.81270	1.6
55.01873	10.7
55.05509	2.6
57.03427	6.9
61.02915	5.8
61.44933	1.6
67.05507	3.5
68.99770	2.3
69.03436	40.0
69.07077	4.7
69.27808	10.8
69.28232	6.4
71.04991	5.5
73.02924	13.1
76.04012	15.9
79.05484	1.9
81.02974	2.8
81.03423	32.8
81.07063	4.5
83.08619	1.9
84.42584	1.7
85.02909	100.0
87.00835	41.0
91.03973	3.2
93.07040	3.7
95.08636	4.1
97.02898	62.1
99.04459	19.8
100.72787	1.6
105.01869	61.6
108.04494	9.7
109.02882	27.6
109.10174	3.1
112.08735	1.6
117.01900	3.4
121.02860	3.8
121.10136	3.5
122.03187	3.0
126.05532	4.9
127.03925	98.9
129.01843	4.2
135.11726	3.7
145.04964	69.6
147.02905	4.3
159.02904	30.4
191.17958	3.0
213.03951	3.3
223.12970	1.7
230.06564	3.6
231.05022	23.7
243.11334	2.4
248.07695	3.8
249.06075	7.5
253.18573	2.2
258.80743	1.7
284.11951	4.5
284.29315	2.4
285.12250	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	283.2269
Annotation	3-Epilitsenolide D1
Peak:m/z	Relative Intensity
53.03939	3.7
53.08021	1.0
54.12437	1.0
55.01867	3.3
55.05515	70.9
57.03441	31.1
57.07077	30.4
59.04993	1.3
64.01891	1.2
67.05507	16.8
69.07072	94.8
69.92406	1.1
71.04991	2.0
71.08640	8.2
73.02905	2.0
73.06558	1.2
79.05505	11.5
81.07064	14.9
83.04985	5.3
83.08623	65.6
85.06544	2.4
85.10178	4.9
91.05473	3.2
93.07045	16.1
95.04977	2.7
95.08617	12.8
97.06536	10.1
97.10178	39.7
101.06031	1.6
102.89964	1.1
105.07051	4.6
107.04967	1.6
107.08595	9.0
109.10169	8.8
111.08052	3.5
111.11729	15.7
119.08609	4.1
120.80927	1.1
121.02937	1.2
121.06512	1.7
121.10144	13.1
123.08015	1.6
123.11717	3.4
125.05962	1.1
125.13277	4.4
129.07040	1.5
131.08557	2.2
133.10121	2.4
135.11703	9.6
139.11185	1.5
143.08528	3.0
145.10135	4.2
147.11707	1.7
149.13257	2.9
157.10194	2.1
159.11711	2.3
163.11214	3.0
171.11632	1.3
173.09505	1.5
173.13292	4.4
177.07846	1.7
191.17953	3.4
209.11699	1.4
209.13470	1.9
209.18971	2.4
265.19595	2.4
274.60815	1.5
283.06033	1.6
283.22745	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	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03936	4.1
54.60030	1.5
55.01874	2.3
55.05516	13.3
57.03419	2.7
57.07060	5.2
62.31245	1.5
65.03934	2.7
67.05173	1.7
67.05508	26.7
69.03406	6.3
69.07072	12.5
70.19838	1.9
70.20186	6.5
71.04993	8.4
79.05501	25.3
81.03398	1.6
81.07063	40.7
82.10811	1.5
83.04961	6.6
83.08607	6.6
83.09064	1.6
85.06525	1.9
89.84760	1.7
91.05486	26.9
93.07055	50.5
95.04974	10.6
95.08619	29.8
97.06551	8.5
97.10156	1.9
99.08092	2.3
105.07040	48.2
107.08607	34.3
109.06532	9.0
109.10164	18.5
111.08112	2.8
115.05491	2.3
116.06193	1.8
117.07040	15.9
119.08585	35.5
121.06511	9.0
121.10155	64.2
123.08052	6.3
123.11738	4.9
128.06221	4.7
129.06996	5.1
130.07814	3.0
131.08582	35.6
132.60475	1.6
133.10146	24.8
135.08087	7.1
135.11726	8.9
137.13327	1.4
139.11118	1.4
141.06998	2.2
142.07793	5.3
143.08580	17.0
144.09344	4.5
145.09038	2.2
145.10146	36.0
146.07225	2.1
147.08063	2.2
147.11719	12.8
149.09613	3.2
149.13200	3.7
153.06989	1.6
155.08560	6.7
156.09325	4.5
157.10141	19.1
158.10913	7.2
159.08081	4.9
159.11702	15.3
161.09631	23.3
161.13266	6.4
163.11208	5.3
163.14865	1.9
165.06982	2.7
167.08632	2.1
168.09390	2.5
169.10149	5.7
170.10947	3.3
171.11745	13.1
172.12157	2.4
173.09666	3.8
173.13277	58.4
175.11209	4.3
175.14842	8.9
177.12669	1.9
179.08539	5.9
180.09308	2.6
181.10110	4.4
182.10884	2.1
183.11717	8.3
185.09650	2.4
185.13269	11.5
187.11214	2.5
187.14816	8.9
189.12788	4.1
191.14354	11.3
193.10165	2.8
194.10927	4.8
194.27170	1.4
195.11703	9.5
197.13297	6.3
199.11224	4.3
199.14888	8.2
201.12766	2.0
201.16422	3.3
208.12538	3.0
209.13312	15.7
210.14055	2.6
211.14906	2.3
213.12750	4.0
213.16431	6.1
215.14217	2.6
221.13420	3.0
223.14844	9.9
225.16492	7.8
227.14360	8.7
235.15051	1.8
237.16371	2.9
239.18033	3.8
250.17171	2.6
255.21111	7.8
265.19611	21.3
283.20584	100.0
283.28293	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.7
55.01878	49.8
55.05516	85.1
57.03441	67.4
57.07076	7.4
59.05002	12.0
61.29925	3.2
67.05509	45.9
69.03423	4.9
69.07069	14.8
71.05013	17.1
78.04713	2.9
78.24406	2.8
79.05502	66.9
79.05939	2.8
81.03421	35.6
81.07064	69.8
83.01351	39.0
83.04988	46.3
83.08630	42.5
85.02906	15.4
89.06040	23.2
91.05492	44.0
91.13613	3.1
93.06468	5.0
93.07051	91.2
95.04987	20.6
95.08620	38.2
97.02890	7.0
97.06551	18.9
97.10205	5.2
99.04453	9.7
105.07033	36.6
107.04948	28.3
107.08602	51.9
109.06515	28.6
109.10159	11.3
111.04463	12.3
111.08077	8.0
117.07034	26.3
119.08591	38.3
121.06519	12.9
121.10149	29.5
123.08091	26.1
123.65453	3.2
125.05979	7.4
125.09669	5.7
129.07013	8.5
130.07802	5.9
130.20366	3.0
131.08588	12.1
133.08591	10.9
133.10129	11.2
135.08060	6.4
135.11702	52.9
137.09624	5.4
143.08598	6.1
144.09241	4.1
145.10126	62.4
147.08047	4.9
147.11757	4.8
149.09608	5.0
149.13390	3.1
153.12746	13.9
155.08516	6.3
158.88092	3.2
163.11200	100.0
163.12534	6.3
171.11664	3.4
173.09691	17.0
175.14934	3.8
181.12248	18.2
183.11697	3.3
185.13284	3.4
191.10664	11.8
196.56619	2.9
199.14775	3.0
209.11710	29.4
213.16530	5.4
223.98114	3.2
227.12782	18.2
227.17992	5.5
283.15424	91.5
283.20590	16.0
283.24200	29.2
283.26556	2.8
288.34689	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.3
53.03928	6.7
54.33632	2.1
55.01625	3.0
55.01875	39.5
55.05517	70.7
57.03442	61.0
57.07064	6.2
59.04999	6.3
65.03948	4.0
67.05155	3.5
67.05511	49.4
69.03417	8.5
69.07077	16.5
69.49229	2.1
71.01337	3.4
71.05002	12.4
71.08580	2.6
73.02917	3.1
79.05500	63.7
81.02972	3.3
81.03419	39.6
81.07064	64.7
83.01345	43.9
83.01807	4.9
83.04541	3.9
83.04990	47.5
83.08622	40.6
85.02911	13.5
85.06533	4.5
86.03272	2.3
91.05483	46.3
93.06468	4.4
93.07050	87.7
95.04967	25.0
95.08057	2.5
95.08615	32.6
97.02882	8.2
97.06543	14.1
97.10115	4.9
98.98454	7.3
99.04483	11.1
105.07045	38.8
107.04966	27.3
107.05637	3.8
107.08591	42.4
109.06523	23.5
109.10162	13.4
111.04462	11.7
111.08057	6.1
111.11720	3.5
117.07018	25.8
119.04963	40.3
119.05823	4.7
119.08595	37.5
121.02865	7.9
121.06506	12.7
121.10150	25.5
123.08079	29.1
125.05990	4.9
125.09603	5.4
128.06190	5.1
129.06992	10.1
130.07777	6.2
131.04875	2.5
131.08578	14.5
133.08475	2.5
133.10168	16.2
135.08073	7.2
135.11700	44.5
137.09605	8.0
139.07567	2.7
142.07875	2.8
143.08560	9.3
145.06534	4.3
145.10139	65.3
147.08057	9.0
147.11708	33.0
149.09650	5.6
153.12743	15.3
155.08551	7.2
156.09329	2.7
157.10089	8.1
159.11711	7.1
161.13219	3.8
163.11192	92.5
167.08560	3.4
169.10112	5.7
171.08113	5.5
171.11679	6.9
171.97981	2.3
173.09593	16.2
173.13316	3.1
175.11234	2.4
179.08690	2.6
181.12244	15.7
183.11661	5.4
185.09648	7.7
185.13303	4.6
187.22697	2.6
191.10747	11.3
195.11739	5.7
197.13353	5.4
199.14857	6.2
209.05923	2.3
209.11728	29.9
211.14919	2.9
213.12752	10.2
213.16321	3.3
225.16362	2.8
227.12610	13.4
237.05522	2.8
237.16351	4.2
237.84032	2.5
248.84787	2.5
255.17502	2.4
261.76672	2.4
265.19543	7.6
283.06039	9.1
283.15417	100.0
283.20554	73.2
283.24057	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	283.1079
Annotation	Deoxynybomycin
Peak:m/z	Relative Intensity
50.87831	0.5
53.03936	0.7
55.01865	1.8
55.05508	1.8
57.03445	1.1
65.03940	4.4
67.05515	5.7
69.03447	4.0
69.07072	1.8
69.39931	4.7
71.04985	0.5
79.05505	2.1
81.03413	5.5
81.07053	2.5
83.04977	0.6
83.08614	0.9
85.02908	3.7
85.06561	0.8
89.65490	0.7
91.05460	2.5
92.05018	1.0
93.03402	0.6
93.07038	2.0
94.06554	1.0
95.04971	6.0
95.08617	1.9
96.87573	0.5
97.02903	1.1
105.07069	1.3
107.04993	0.6
107.08596	2.1
108.04432	0.6
109.02883	2.5
109.06502	0.6
109.10204	0.8
111.04436	2.1
115.05474	1.2
117.07049	0.7
118.06545	0.8
119.08553	1.5
120.04494	2.3
121.02873	79.0
121.10125	1.2
122.03159	0.7
122.06036	1.9
123.08089	0.6
123.11653	0.7
125.09680	0.5
127.03926	1.1
128.06235	1.3
129.06978	1.3
130.06487	0.6
131.08585	1.5
133.10143	0.7
134.06087	0.7
135.11732	1.1
136.07596	1.0
139.03923	6.5
141.07013	1.6
142.07802	1.3
143.07326	0.6
143.08553	1.8
144.08049	1.0
145.06496	0.8
145.10146	1.4
148.03973	1.1
152.06197	0.8
153.07001	1.5
154.06519	1.6
154.07750	0.9
155.06050	0.7
155.07396	1.2
155.08559	2.2
156.08105	1.4
157.10161	0.9
158.09683	0.6
159.11707	1.0
161.07092	0.9
161.13289	1.0
162.05499	1.1
165.07016	1.8
167.07329	4.0
167.08582	1.1
168.08098	4.2
169.07610	2.5
169.08879	1.8
169.10062	1.3
170.08418	8.3
170.09656	1.9
171.06873	0.7
171.10440	0.8
171.11746	1.0
172.07632	0.8
177.06960	0.6
181.06517	1.4
181.08817	1.3
182.05952	0.9
182.09732	3.2
183.05440	0.7
183.06812	0.8
183.09184	3.4
183.11725	1.3
184.06157	0.6
184.07588	1.7
184.09946	3.7
184.11288	1.8
185.07126	0.8
185.10732	4.5
186.09161	1.0
187.08643	1.2
191.34196	0.6
194.08289	0.7
194.09796	1.0
195.09293	1.3
195.11755	0.9
196.07527	2.7
197.06999	7.4
197.08444	1.4
198.07780	17.3
199.08565	1.8
199.10298	0.7
199.12369	3.2
200.09378	0.7
201.16377	0.7
205.06436	0.7
209.10960	0.7
209.13258	1.1
210.09204	6.7
211.05455	0.7
211.08675	14.2
212.09285	15.4
213.07018	1.0
213.10248	23.2
222.07854	0.6
223.08595	2.0
224.07129	1.0
224.09309	0.5
225.06548	5.7
225.10266	1.8
226.07350	21.8
226.11017	1.2
227.08186	1.5
227.11813	11.3
227.14009	0.6
228.08873	0.8
229.09749	0.6
237.05501	1.7
237.10240	2.3
238.06503	0.5
238.08513	2.7
239.08142	5.5
240.08951	15.3
241.09732	100.0
251.07034	1.8
253.09727	2.0
254.10542	2.1
255.06714	1.3
255.11299	28.4
265.04697	0.8
265.07114	2.1
265.19534	0.8
268.07889	0.6
283.06372	4.1
283.10791	90.6
283.20456	7.0
284.11511	0.7
303.54477	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	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01855	0.6
55.05498	0.3
57.03433	1.0
57.07083	0.4
60.08616	0.3
61.02927	0.3
63.83524	0.3
65.03934	2.8
66.35673	0.2
67.05502	1.2
69.03431	4.9
69.07044	0.3
69.92606	1.3
70.06587	0.3
70.34352	0.3
71.04982	0.5
73.02908	0.6
79.05525	0.3
80.24821	0.3
81.03424	9.8
81.07059	0.6
84.08162	0.3
85.02916	4.8
87.04488	0.3
93.07058	0.3
95.04977	5.1
97.02911	2.4
98.97621	0.4
99.04454	1.0
103.23806	0.3
105.50747	0.3
107.04980	0.5
107.08549	0.3
109.02890	3.9
109.10168	0.6
111.04461	2.8
116.98641	0.4
121.02873	100.0
122.03196	0.8
127.03907	1.7
128.14850	0.3
136.06201	2.7
137.06616	1.9
139.03911	8.3
176.90579	0.3
220.10341	0.3
223.60899	0.3
237.05434	0.3
265.07098	5.8
265.11179	0.3
268.97897	0.5
283.05649	0.6
283.08276	0.8
283.11209	0.5
285.00793	0.6
301.05872	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	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45587	0.2
52.40024	0.2
53.03947	1.1
55.01865	0.5
57.03433	0.7
65.03943	3.1
67.05506	0.3
69.03088	0.2
69.03436	3.5
69.38275	1.4
69.38682	0.4
71.01340	0.2
71.04988	0.4
81.02973	0.4
81.03420	4.4
85.02908	4.7
93.03421	0.3
95.04969	6.2
97.02870	1.1
97.69409	0.2
98.21449	0.4
99.04477	0.3
109.02879	2.1
111.04448	2.7
121.02874	100.0
122.03194	0.9
127.03906	0.8
135.11694	0.2
137.89941	0.2
139.03900	7.7
148.03949	0.5
151.25986	0.2
210.69997	0.2
212.44093	0.3
227.12729	0.4
243.57692	0.2
251.07036	0.3
253.21143	0.2
261.79486	0.2
265.06958	1.4
283.08209	1.0
283.11017	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	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01860	0.9
55.05500	0.5
57.03434	1.2
65.03934	2.8
67.05479	0.5
69.03074	0.4
69.03437	5.1
69.07098	0.5
71.01380	0.4
71.04990	0.6
71.14657	0.9
73.02934	0.3
79.05486	0.7
81.03421	8.8
81.07053	0.7
83.04982	0.6
83.08584	0.4
85.02903	4.8
91.05481	0.5
93.07035	0.7
95.04974	5.2
97.02883	1.8
99.04463	1.1
104.73746	0.3
107.08596	0.4
109.02895	3.5
111.04440	2.6
114.68253	0.3
115.39582	0.3
121.02873	100.0
121.10137	0.4
122.03187	0.6
127.03918	1.3
133.10226	0.3
135.11731	0.4
139.03912	8.4
153.12766	0.3
163.11200	0.4
166.15889	0.3
178.41893	0.3
207.56012	0.3
223.07565	0.5
251.07126	0.5
265.07083	4.9
283.06042	0.8
283.10559	1.1
283.15573	0.7
283.20612	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	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38857	0.3
53.03952	1.5
55.01878	0.4
55.05508	0.5
57.03428	1.0
65.03951	2.2
67.05504	0.9
69.03434	4.6
69.07061	0.5
69.75601	1.4
71.04984	0.5
79.05489	0.8
81.03423	10.4
81.07041	0.5
85.02910	4.7
91.05468	0.3
92.37947	0.3
93.07041	1.2
95.04973	5.6
95.08618	0.5
97.02883	1.8
98.20845	0.6
99.04471	1.1
107.04949	0.5
107.08630	0.6
109.02883	5.2
111.04453	2.2
121.02877	100.0
121.10204	0.4
121.61144	0.3
122.03204	0.9
126.01109	0.5
127.01408	0.3
127.03906	1.8
135.11719	0.5
139.03906	7.3
145.10127	0.5
163.11276	0.4
265.07108	5.3
283.05927	0.8
283.15485	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	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
53.04158	0.3
55.01871	0.8
55.05519	0.6
57.03442	1.4
57.38103	0.3
65.03709	0.2
65.03948	2.6
67.05507	1.2
69.03434	5.4
69.07069	0.5
69.86516	0.3
70.86368	0.3
70.98993	0.6
71.01373	0.4
71.04990	0.7
73.02916	0.4
79.05486	1.0
81.03425	8.6
81.07053	1.0
83.04982	0.5
83.08637	0.3
85.02905	4.6
91.05494	0.5
91.93160	0.2
93.03410	0.3
93.07040	0.8
95.04979	5.7
95.08586	0.4
97.02889	1.7
97.06548	0.3
99.04470	0.8
105.07046	0.3
107.04971	0.9
107.08630	0.6
108.39319	0.2
109.02894	4.0
111.04451	2.6
117.07012	0.4
119.08584	0.5
120.26087	0.3
121.02878	100.0
121.03869	3.2
121.10158	0.8
122.03192	0.6
125.00944	0.3
127.03931	1.0
131.04939	0.3
131.08615	0.3
135.11693	0.6
139.03918	7.5
145.10130	0.5
163.11176	0.6
173.09714	0.6
191.10762	0.4
200.44063	0.3
223.07622	0.9
237.05418	0.3
251.07065	1.2
265.07101	3.8
265.09845	0.3
283.05710	0.6
283.08267	0.6
283.15598	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	282.1198
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
55.01871	0.3
56.96564	1.2
57.03437	0.5
61.02921	0.3
68.19896	0.1
69.03433	0.4
70.53997	0.2
70.54343	0.3
73.02933	0.2
84.08150	0.5
85.02898	0.5
86.09705	0.2
94.04041	0.2
97.02898	0.3
98.97585	1.9
108.05688	0.2
109.05128	0.6
110.97560	0.2
113.03493	0.5
116.98646	1.2
117.37537	0.1
119.01898	0.2
119.03515	0.2
123.06693	0.2
133.05069	0.8
134.99675	0.6
148.06221	0.2
150.07755	100.0
151.08080	0.4
161.02930	0.2
162.07803	0.2
168.03314	0.3
186.04308	0.5
189.04315	0.1
202.03937	0.2
204.05458	0.3
220.05026	0.2
246.10034	0.2
255.39873	0.1
258.04849	0.1
258.99786	0.6
271.07626	0.2
277.00769	1.1
282.05115	0.2
282.11966	5.3
290.73752	0.1
300.08331	0.2
300.11420	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	282.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07305	0.3
55.01865	0.9
55.05512	0.6
56.96565	6.4
57.03436	2.3
61.02934	2.5
67.05504	0.7
69.03437	5.8
69.07066	0.4
70.06586	1.3
71.01352	0.5
71.04986	0.9
71.57748	0.5
71.95267	0.5
72.08153	0.9
73.02914	2.8
81.03419	1.9
83.04984	0.5
84.08141	1.2
84.96040	0.8
85.02911	18.6
85.06554	3.5
86.03238	0.5
86.06071	0.8
87.04466	0.9
91.03964	1.8
91.05447	0.6
97.02905	5.8
98.03205	0.4
98.06065	0.8
98.97591	21.6
99.04454	1.2
101.95012	0.8
102.96892	0.6
107.04960	1.1
109.02901	1.8
109.05139	0.5
110.97549	3.6
112.05105	1.3
112.06917	0.3
112.07585	2.2
115.03931	0.3
116.98631	13.6
119.01875	0.6
119.51900	0.4
119.98219	0.3
120.04489	0.4
120.08086	0.7
121.02818	0.3
121.06490	0.4
123.63291	0.3
124.99026	0.4
127.03918	5.5
128.98610	5.5
130.05008	0.3
130.08655	1.1
131.01866	0.3
131.09023	0.5
133.05095	0.7
134.99663	5.9
136.06247	0.7
137.06006	0.8
140.00146	0.5
142.01756	0.5
143.00174	1.1
143.01901	0.4
145.04976	8.6
146.99666	4.1
147.04413	0.4
149.01195	0.5
150.07759	100.0
151.08154	0.7
153.00717	0.5
156.03351	1.4
158.01248	0.4
158.06645	1.3
158.99658	5.6
159.06813	3.0
160.02773	0.5
161.01227	1.5
162.05550	0.5
162.07727	0.4
163.03842	0.3
163.06024	1.4
165.00752	1.1
168.03294	0.6
170.99644	3.7
174.04398	2.3
176.07709	1.3
177.00726	7.4
177.07867	2.9
178.00897	1.1
181.00037	0.4
182.03374	0.5
182.53532	0.5
186.04417	2.7
189.00725	5.6
189.07921	0.7
190.01041	0.4
191.03793	0.8
191.54088	1.3
192.03818	0.4
193.01712	0.8
193.03235	4.0
200.02322	0.8
200.04372	0.7
200.54633	0.9
201.00739	1.3
201.04245	1.1
204.05464	2.4
207.01877	0.7
211.02832	1.2
212.02353	0.4
217.08340	0.6
219.01772	1.7
226.11043	2.2
229.10701	0.9
237.02831	3.1
239.02240	0.4
240.12709	0.7
242.95645	0.4
243.11880	0.4
244.12158	1.4
252.12596	7.5
253.12366	0.5
255.03958	1.5
257.03366	0.8
257.77921	0.3
258.99756	0.7
264.12698	3.3
268.00073	0.5
270.13657	6.1
271.13306	0.7
272.56451	0.3
277.00760	0.8
281.03400	0.4
282.01370	2.6
282.11649	3.0
282.13742	6.7
282.22183	1.3
283.13077	0.6
299.04382	0.8
300.02411	2.7
300.06418	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	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80581	0.5
56.45378	0.5
56.96563	9.4
64.84769	0.5
70.02447	1.7
71.95262	2.6
98.21540	0.7
98.97585	100.0
100.31834	0.7
116.98624	48.1
119.01926	1.2
134.99666	16.0
138.94023	0.5
140.00259	0.8
141.67921	0.5
147.96117	0.5
153.00708	1.9
158.01299	0.6
158.67191	0.5
177.61505	0.5
188.43382	0.5
234.99776	1.3
236.98633	2.2
240.98636	4.6
258.99777	42.2
260.00085	1.6
277.00830	68.2
278.01163	1.3
279.01315	0.6
282.01254	0.7
295.01697	0.7
300.02338	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40869	1.6
52.82879	1.4
53.03944	11.4
53.51631	1.4
55.01880	8.1
55.05263	2.5
55.05513	35.2
57.03183	2.2
57.03439	27.0
57.07087	2.1
65.03934	6.1
67.05508	85.9
69.03415	3.8
69.07072	21.6
70.94215	1.5
71.04988	4.2
71.58932	2.9
73.06558	2.4
79.05495	100.0
81.03420	17.6
81.07060	71.9
83.04982	34.1
83.08619	9.6
85.06530	4.3
91.05482	70.6
91.05910	0.9
93.07050	70.1
95.04975	27.2
95.08608	47.4
95.09127	0.8
95.09230	1.6
97.02889	3.4
97.06522	5.9
97.10178	6.1
99.08083	1.8
105.04520	1.7
105.07037	54.0
107.04962	10.2
107.08595	25.4
109.06512	10.1
109.10156	8.2
111.08068	3.5
113.06000	1.9
115.05431	4.6
115.91191	1.6
117.07027	14.5
119.08572	34.0
121.06525	5.2
121.10141	6.7
122.06046	1.6
123.08081	10.9
123.32331	1.4
125.09663	1.8
127.07529	1.7
128.06233	3.6
128.09752	1.5
128.10687	1.7
129.07019	20.1
130.07784	2.7
131.08543	5.0
133.06398	2.3
133.10107	14.0
135.11691	3.7
143.08592	12.0
145.10121	15.1
146.06018	5.5
147.08037	5.0
147.11691	42.7
151.07495	2.3
156.09416	1.8
157.10207	2.0
159.08174	1.6
159.11714	2.2
161.09634	6.3
161.13246	19.2
167.11028	1.8
171.11707	30.8
173.13249	1.6
189.12723	11.4
197.13441	1.7
207.13811	11.9
235.07495	1.8
240.64963	1.6
252.08989	2.2
253.09720	1.7
263.16376	2.8
266.99954	1.7
281.04596	3.7
281.09238	6.0
281.12799	9.2
281.17380	32.0
281.22116	1.9
283.00183	1.8
299.06281	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	281.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
55.70724	0.1
56.05036	0.9
57.03432	0.1
57.07063	0.1
60.92960	0.1
63.01910	0.1
69.03419	0.2
70.06584	0.1
70.32507	0.3
70.32898	0.2
72.08168	0.1
74.05702	0.2
74.06087	1.8
79.05448	0.2
81.03403	0.2
81.07038	0.2
83.04994	0.1
84.04492	0.1
84.08128	0.1
85.02919	0.1
91.05461	0.2
91.39559	0.1
92.02505	0.2
93.07059	0.2
93.22387	0.1
94.04047	0.4
95.04949	0.1
95.08609	0.1
102.05005	0.1
102.05547	1.0
105.06998	0.2
107.04953	0.2
107.08619	0.1
109.05148	0.2
119.03554	4.6
120.06587	6.0
129.07022	0.1
130.10193	0.1
131.04951	1.2
131.08577	0.2
133.10161	0.1
136.06194	100.0
137.04596	3.4
137.06662	0.5
143.08577	0.1
145.06485	0.1
145.10092	0.1
147.09174	0.4
150.02740	0.1
155.08554	0.2
162.04120	51.6
163.04416	0.2
169.10094	0.2
170.10930	0.1
171.11703	0.1
181.04945	0.1
181.10109	0.1
183.11679	0.1
185.13194	0.1
193.10124	0.1
195.11685	0.1
201.01216	0.1
207.11636	0.1
223.07634	0.2
263.09100	0.2
263.17981	0.2
266.99890	0.1
281.09970	9.5
281.14960	0.4
281.18927	1.6
299.06131	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	281.1021
Annotation	Euparvic acid
Peak:m/z	Relative Intensity
53.03944	7.4
54.34441	1.2
55.01882	10.5
59.04985	2.0
67.05501	3.1
69.03416	4.5
69.07067	2.1
71.58566	1.4
72.08154	3.3
74.66702	1.4
79.05494	7.9
81.03423	100.0
81.07069	7.6
83.08632	1.7
83.57725	1.4
84.08141	1.9
85.02925	3.5
88.00394	1.5
89.72787	1.4
91.05478	8.2
93.07037	3.6
93.97868	1.3
95.04971	4.4
95.08599	3.0
97.02894	7.4
97.06539	2.4
103.05455	5.7
103.64953	1.3
105.07036	6.1
107.04943	3.8
107.08555	2.6
109.02885	5.4
109.06549	2.7
109.10138	2.5
110.06018	1.3
115.05442	3.1
116.06244	1.6
117.07039	3.7
118.04120	2.2
119.04921	3.6
119.08574	3.3
120.08054	1.6
121.02874	3.3
121.06497	7.5
123.04403	2.3
123.08068	1.5
128.06221	2.1
129.06992	2.2
131.04979	8.2
131.08667	3.3
132.05676	2.0
133.06494	10.4
134.03735	1.8
135.04399	5.1
135.08076	3.3
136.05209	3.0
137.05962	3.4
144.54312	1.6
145.06479	4.5
146.03612	2.1
147.04417	5.7
147.08054	2.0
148.05147	3.6
149.05988	5.4
151.03920	1.6
151.07530	5.1
152.04646	2.5
153.05438	3.5
159.04419	7.8
159.08023	2.3
160.05185	2.8
161.02252	2.0
161.05988	15.7
162.06770	2.3
163.03891	6.7
163.07520	6.2
164.01735	1.9
164.04680	2.1
165.05484	6.5
165.09061	2.3
166.06285	17.2
167.07071	3.5
168.74597	1.5
169.04964	7.1
169.08714	2.2
169.10146	2.4
173.05939	3.2
174.06694	3.1
175.03862	3.9
175.07562	5.3
176.04688	8.3
176.08319	8.6
177.05484	16.2
177.09071	2.6
178.06245	13.8
179.03442	2.7
179.06984	3.1
179.10640	2.0
180.07787	6.4
181.04987	4.9
181.08643	14.3
182.05789	7.2
183.06577	2.6
184.07343	3.7
187.03975	2.8
188.04742	8.6
189.01846	2.3
189.05511	18.6
190.06303	3.1
191.03412	23.8
191.07033	38.9
192.04088	2.3
192.07826	16.1
193.05006	7.7
193.08618	2.4
194.05687	2.6
195.10228	7.7
195.11682	1.6
197.08070	9.2
201.05516	5.0
202.06180	2.6
203.03459	2.3
203.07043	5.7
203.10706	3.2
204.04187	3.2
204.06076	2.5
204.07843	29.8
205.04982	29.2
205.08461	2.4
206.05719	17.5
207.06564	7.9
207.10268	7.4
208.07295	8.0
209.08119	16.4
215.03424	1.6
217.04861	2.7
219.06569	30.4
219.10127	5.9
220.07298	19.7
221.04475	4.4
221.08105	59.7
222.08913	1.8
223.09586	9.9
225.12390	1.7
230.05751	4.7
231.10129	2.2
232.07283	5.4
233.04399	9.9
233.08115	2.0
234.08862	12.9
235.06017	3.8
235.09644	26.4
236.06856	4.7
245.15463	2.1
248.06752	7.9
250.08348	9.2
251.09212	13.4
253.10849	3.3
263.09171	98.3
280.84531	1.6
281.04840	1.8
281.07526	2.3
281.10266	26.9
281.14981	3.4
281.18924	4.2
281.25824	2.6
299.06238	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	281.022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30569	1.7
55.01875	2.6
55.93536	5.1
56.94313	3.2
59.57973	1.9
62.02121	1.9
69.86116	6.9
69.86521	3.7
70.95866	16.2
72.93798	30.2
75.87759	1.9
81.07057	3.1
87.21254	2.1
88.96902	12.1
90.94842	13.6
98.97594	2.7
104.99273	2.4
106.97993	2.2
108.95815	3.8
113.30550	1.9
113.96401	4.1
128.96364	8.9
131.97443	4.9
132.95847	11.1
134.67464	2.3
142.97906	8.4
144.95840	4.0
146.97432	5.4
150.96880	16.3
160.98984	8.1
162.96936	4.9
167.15222	2.2
168.81421	2.2
169.98969	2.9
170.97409	27.4
172.95407	2.5
173.98515	2.5
174.97003	2.6
186.96881	4.5
188.98431	23.9
192.91086	2.1
192.97948	3.5
198.85474	24.0
198.96861	18.3
204.97942	3.5
209.98486	3.4
216.86574	10.7
216.95929	2.8
216.97974	48.1
233.86844	2.4
234.85884	2.4
234.92249	7.6
234.99055	36.9
239.99550	100.0
252.93344	3.5
257.86807	26.4
258.00620	24.2
258.07938	2.5
275.87985	4.5
280.88492	19.7
281.02173	10.5
281.14606	2.0
299.06152	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.01625	0.5
50.58724	0.6
51.51158	0.6
53.03948	0.8
55.05516	10.8
57.03435	0.6
57.07074	3.6
64.33337	0.6
65.03945	2.1
67.05508	98.4
68.05837	0.6
69.07075	10.6
69.37054	4.6
71.04985	0.9
79.05498	14.1
81.07062	100.0
83.04992	1.0
83.08624	6.3
85.06541	1.2
91.05490	4.6
93.07051	16.3
95.08611	82.6
96.08956	0.6
97.06504	2.0
97.10167	2.4
98.20653	0.9
105.07042	4.2
107.08586	8.7
109.06529	1.3
109.10162	49.9
111.08090	0.9
111.11748	1.0
117.07037	2.0
119.08588	3.7
121.02950	0.6
121.06516	0.6
121.10160	7.9
123.08064	2.1
123.11715	25.6
131.08568	4.3
133.10172	3.5
135.11714	7.1
137.09633	1.0
137.13266	9.4
141.09119	0.6
145.10095	2.9
147.11699	3.7
149.02361	15.0
149.09610	1.9
149.13246	2.5
151.11174	1.1
151.14830	2.3
159.11728	3.2
161.13254	2.1
163.11195	1.7
163.14821	1.6
165.16386	1.1
167.10699	1.1
173.13300	3.3
175.14952	0.7
177.12753	2.1
179.14311	1.1
181.12228	1.5
187.14851	2.7
191.14308	1.8
195.13828	2.0
201.16335	0.7
205.15915	1.0
209.15471	3.9
223.16971	3.4
225.48006	0.6
237.18459	1.5
243.21091	2.5
261.22086	5.2
279.09436	0.6
279.19980	1.6
279.23203	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.02419	0.5
51.99342	0.5
53.03949	1.2
55.01869	0.5
55.05511	9.2
57.03443	1.2
57.07080	4.1
62.31476	0.4
65.03950	3.0
67.05508	100.0
68.05837	0.6
69.07071	9.4
70.03278	1.0
70.03692	1.6
71.04992	1.6
71.08646	0.7
77.48460	0.4
79.05497	14.1
81.07061	98.1
82.07399	0.6
83.04996	1.1
83.08635	5.2
85.06551	1.4
91.05486	5.2
93.07052	13.4
95.04960	1.1
95.08611	83.1
96.08982	0.7
97.06538	1.6
97.10159	3.0
98.21490	0.5
99.08051	0.5
101.06024	0.6
105.07048	4.0
107.08601	9.3
107.09282	0.7
109.06548	1.3
109.10164	45.4
110.10489	0.8
111.08083	0.6
111.11752	0.9
116.02875	0.4
117.07053	1.7
119.08571	3.2
121.02889	0.9
121.06519	0.5
121.10158	7.8
123.08084	1.3
123.11716	22.7
125.09636	0.6
131.08586	3.5
133.10124	3.1
135.08052	0.9
135.11705	4.9
137.09637	1.6
137.13252	9.3
138.41072	0.5
145.10132	3.0
147.11694	2.1
149.02348	19.0
149.09642	1.5
149.13257	2.6
151.11269	1.1
151.14868	2.8
153.09082	0.5
159.11687	3.2
161.13266	2.0
163.11200	0.9
163.14883	2.1
165.12697	0.9
165.16420	0.7
167.10704	1.1
173.13263	3.1
175.14914	0.6
177.12787	1.8
177.16312	0.7
179.14345	1.3
181.12277	1.8
187.14795	3.4
191.14333	1.2
195.13794	2.2
201.16486	0.7
205.15868	0.9
209.15343	3.0
219.21083	0.8
223.16861	2.5
237.18559	1.3
243.21141	2.9
261.22159	4.0
261.91064	0.5
279.19946	1.5
279.23212	36.5
281.01898	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	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
52.85072	0.5
54.88090	0.5
57.07087	3.5
60.48088	0.6
65.03965	0.7
67.05503	0.8
69.03437	0.5
69.07082	0.5
69.60400	3.7
70.06593	0.7
72.33901	0.5
75.58065	0.5
76.61871	0.6
79.05501	0.7
81.03402	0.7
85.06532	0.7
86.09709	100.0
91.05476	2.2
93.07052	1.6
94.98999	0.5
95.08595	0.8
97.02872	1.2
98.21475	1.1
100.80567	0.5
101.32468	0.5
103.05473	3.1
105.07034	1.0
106.61585	0.5
107.04948	0.8
108.50885	0.5
109.10203	0.5
117.07047	0.7
119.04951	3.1
119.08601	0.7
120.08110	67.6
121.02882	1.9
121.10078	0.6
123.08044	0.6
131.04886	1.0
132.10219	1.0
145.10170	0.6
147.04417	12.6
149.02350	29.8
166.08643	10.8
205.06570	1.8
205.08418	0.5
233.16609	1.1
279.06531	1.6
279.09122	0.9
279.17072	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	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05516	7.5
57.07063	3.6
65.03941	2.0
67.05515	90.3
68.90567	0.9
69.07072	6.9
70.11929	5.0
79.05498	11.2
81.07068	100.0
83.08614	4.3
91.05484	2.9
93.07043	9.3
95.08619	74.3
97.10152	2.1
104.50497	1.1
105.07051	2.6
107.08601	6.1
109.10173	41.6
116.20635	1.0
119.08595	2.8
121.10137	4.4
123.08081	1.5
123.11725	29.8
126.39339	1.0
126.59435	1.0
127.07597	1.3
131.08595	2.0
133.10106	2.4
135.11720	4.3
136.80980	1.0
137.13268	10.9
145.10197	1.7
145.85779	1.2
147.11760	2.6
149.02364	21.1
149.13306	2.2
151.14810	2.2
159.11641	1.5
161.13280	2.0
163.11218	1.1
163.14830	1.3
173.13309	2.3
177.12886	1.2
181.12173	1.1
187.14917	2.4
195.13806	1.8
209.15395	2.1
219.05814	1.5
223.16881	2.7
237.18542	1.3
252.59706	1.0
261.22076	3.1
279.09448	2.6
279.20313	2.2
279.23248	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	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01859	0.7
57.05802	0.4
57.07080	4.0
58.06604	0.5
65.03921	0.7
67.05499	1.3
69.07071	12.5
70.06578	1.1
71.57903	0.4
72.08130	0.5
75.64418	0.4
79.05499	0.8
81.03447	0.4
81.07067	1.2
84.08176	0.4
85.02914	0.4
86.09708	100.0
87.10065	0.4
89.77752	0.4
91.05486	0.9
93.07050	0.6
95.04998	0.4
95.08589	0.5
97.02910	0.8
98.97619	0.4
103.05472	0.7
105.07047	0.9
107.04966	0.6
107.08614	0.7
107.42066	0.4
109.02867	0.5
115.05486	0.7
117.07068	0.6
119.04941	0.7
119.08575	0.7
120.08115	10.2
120.50224	0.4
121.02892	2.0
129.07016	0.5
131.04980	0.5
131.08600	0.5
135.04420	0.5
135.08078	0.7
145.06470	0.7
145.10138	0.6
147.04402	3.3
147.08041	0.7
149.02348	29.3
149.09625	0.5
151.07622	0.4
161.05905	0.4
166.08649	6.2
166.09949	0.6
167.03444	0.9
171.04407	0.5
171.11882	0.5
173.06038	0.6
181.05006	1.3
189.05531	1.2
201.05655	0.4
205.06537	0.7
206.06879	0.4
219.08067	0.5
221.08167	0.5
261.14935	0.5
270.94046	0.4
279.06229	0.6
279.08972	1.3
279.13129	0.7
279.16895	2.0
297.84396	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	278.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
56.05040	4.9
57.07081	4.1
58.06606	6.3
60.04520	1.9
60.15774	0.5
69.07057	2.2
69.39671	4.7
70.06585	1.0
70.07402	0.9
71.08633	2.6
72.08158	2.5
74.06078	3.8
86.06068	5.5
88.07634	29.2
95.08594	0.8
98.21561	1.0
100.07632	1.5
102.09203	0.7
104.07118	3.5
118.08675	0.7
132.10214	8.0
147.04433	0.6
149.02341	2.2
162.11246	2.1
166.10738	3.0
172.16960	0.7
186.18544	38.4
187.18840	0.6
198.18498	1.4
230.21179	13.6
260.22168	1.4
278.23273	100.0
279.23569	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	279.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	5.3
69.78111	4.1
79.89309	0.8
98.97588	100.0
110.97572	7.2
116.98627	44.3
119.01945	0.8
128.98601	5.5
134.45056	0.7
134.99669	10.9
136.93936	0.9
140.00212	0.9
143.00197	2.0
146.99667	2.7
155.38220	0.7
158.99666	45.3
161.01212	0.8
170.99661	4.1
177.00720	54.3
182.97409	1.1
189.00739	6.1
195.01793	5.5
200.02354	1.7
207.01778	4.3
219.01801	8.3
219.10114	0.8
237.02847	9.5
255.03876	5.4
279.03873	4.5
297.05029	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	279.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81435	0.9
51.01528	1.1
55.05503	4.6
57.07079	14.3
57.79132	1.1
58.99572	1.8
64.54575	1.0
65.03943	3.6
67.05505	2.5
67.95465	1.0
69.03415	2.1
69.62849	2.3
69.63264	4.6
70.06600	1.9
75.67492	1.0
79.05472	1.5
81.07076	1.8
83.08614	5.0
84.04501	2.8
84.29129	0.9
86.99021	1.5
89.06007	1.3
91.05483	3.0
93.03385	1.6
93.07024	1.4
95.04980	2.2
95.08610	3.2
96.65478	0.9
98.97589	1.2
104.10740	4.7
105.07037	2.6
107.04919	1.3
107.08575	1.7
109.06550	1.1
111.04462	1.5
115.05440	1.3
116.01701	8.2
117.07008	2.2
118.06553	10.9
119.04917	1.4
119.08556	1.8
121.02863	7.2
123.08050	1.5
129.07005	11.1
130.05032	1.2
130.06512	5.6
131.08585	1.2
131.27496	0.9
132.08092	8.7
133.06516	1.9
135.08064	2.0
139.03903	1.6
144.01146	1.5
144.08087	14.3
146.06013	26.6
146.90263	1.3
147.04399	4.3
149.02345	100.0
156.06796	2.3
156.08095	44.3
158.09618	1.3
161.06006	2.6
162.02219	12.5
167.03374	1.6
167.07318	2.0
168.08102	17.3
169.07635	2.1
170.05986	1.9
175.07578	1.4
181.05014	3.7
183.09192	28.8
184.07623	1.3
185.10732	1.8
188.07082	21.9
188.10596	1.2
193.08609	1.6
199.11256	1.3
202.08693	1.2
205.08670	1.5
221.08090	4.5
229.09727	62.5
233.12932	2.0
244.09921	1.0
257.37671	1.2
262.11063	2.5
277.16666	1.1
279.06122	1.9
279.08911	9.5
279.11588	1.3
279.13168	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03943	4.6
55.01875	5.1
55.05267	1.4
55.05512	22.8
57.03437	8.7
57.07066	4.3
59.92884	0.9
64.37820	1.2
65.03930	2.3
67.05508	38.2
69.03428	1.6
69.06722	1.2
69.07070	16.4
69.79086	5.4
71.04992	2.8
72.71635	0.9
77.03914	1.2
79.05499	67.7
81.07061	47.0
83.04970	3.5
83.08616	8.9
85.06526	3.0
91.05484	30.3
93.07049	100.0
94.07373	1.2
95.04980	7.4
95.08611	39.0
97.06531	2.5
97.10188	6.2
99.08093	2.8
105.04523	1.8
105.07044	21.3
107.08601	56.4
109.06519	4.4
109.10165	16.3
111.08073	3.8
114.67084	1.0
117.07034	5.7
119.08585	14.1
121.10151	51.4
123.08044	2.9
123.11700	5.9
125.09682	1.2
129.07004	2.4
131.08585	8.3
133.10143	14.3
135.08018	2.0
135.11703	46.7
137.09601	3.7
137.13277	1.3
139.07608	1.3
143.08527	2.2
145.10124	7.8
147.11685	10.1
149.09633	2.5
149.13269	25.4
151.11131	2.6
157.10123	3.3
159.11694	17.5
161.13281	5.7
163.11211	2.3
163.14796	6.4
165.12817	1.2
171.11752	2.2
173.13275	3.2
175.11156	1.7
175.14865	2.7
177.12782	3.0
181.12250	1.9
185.13232	3.6
187.14845	4.9
195.13818	2.1
199.14922	1.2
205.15883	5.4
207.13751	1.4
209.15544	1.2
213.16379	3.3
217.19673	1.2
221.15318	2.9
221.19086	1.8
231.17531	6.3
235.17041	3.2
241.19562	5.0
249.84671	1.2
259.20578	11.5
277.21649	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	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.42402	1.2
53.03947	6.3
54.56728	1.2
55.05510	16.8
55.07370	1.3
57.07068	3.0
65.03923	2.1
67.05503	31.2
67.96579	1.1
68.49908	1.2
69.06761	1.4
69.07066	13.1
69.29441	10.0
71.04996	2.3
71.68870	1.3
77.03907	1.2
77.75685	1.1
79.05495	77.2
81.03467	1.1
81.07058	33.3
82.47349	1.2
83.04994	2.4
83.08624	6.5
85.06528	2.4
87.61223	1.4
91.05486	26.6
93.07044	100.0
95.04951	5.6
95.08607	24.1
97.06528	2.6
97.10137	3.9
98.21562	2.6
100.67711	1.2
101.63692	1.2
103.35990	1.0
105.04484	1.4
105.07036	12.0
107.07860	2.3
107.08597	47.5
109.06523	3.4
109.10160	12.6
117.07003	3.3
119.08572	10.1
119.09308	1.5
119.30686	1.4
121.09317	2.4
121.10149	44.9
123.11697	2.0
125.09548	1.3
131.08563	2.6
133.10124	12.3
135.11699	47.9
136.07205	1.1
137.09618	1.8
138.72481	1.1
143.08545	2.1
145.10075	2.4
147.11714	6.0
149.09589	1.8
149.13255	22.5
157.10179	2.1
159.11703	3.5
161.13248	3.8
163.14873	5.8
171.11707	3.2
173.13194	2.9
175.11165	2.2
175.14812	1.8
177.12732	1.4
181.12175	1.8
185.13289	2.1
189.12866	1.7
195.13937	1.3
199.14934	1.6
207.13840	2.0
213.16444	2.4
217.16222	1.3
221.15373	4.0
235.16936	5.0
241.19473	1.8
259.20587	3.1
277.21634	68.3
294.63046	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.12284	1.4
53.03933	4.1
55.01863	3.3
55.05518	21.0
57.07092	8.0
57.07321	1.9
59.04997	1.7
65.03933	2.3
67.05509	42.1
69.03445	1.3
69.07072	18.2
70.10949	2.0
70.11341	3.9
71.04980	2.7
71.08625	3.2
79.05496	68.6
81.03450	1.4
81.07062	47.0
83.04974	2.9
83.08626	9.3
85.02902	1.4
85.06540	2.8
91.04960	2.1
91.05487	31.3
93.07052	100.0
95.04968	8.8
95.08057	1.1
95.08608	29.5
97.06517	5.4
97.10160	3.7
97.97846	1.3
102.01765	1.2
105.04507	2.0
105.06401	1.3
105.07039	20.0
106.64572	1.3
107.04942	2.1
107.08605	48.6
109.06502	3.7
109.10153	15.6
110.82946	1.1
111.08091	1.9
117.07012	4.9
118.06512	1.2
119.08589	16.1
120.66704	1.2
121.06481	2.7
121.10150	40.1
123.08038	3.4
123.11711	4.7
125.09641	1.7
129.06985	1.8
131.08560	4.6
133.10152	11.9
135.08110	2.2
135.11702	39.7
137.05986	1.7
137.09627	2.2
138.49617	1.2
139.11107	1.5
143.08574	2.8
145.10133	6.2
147.04359	1.2
147.08060	1.2
147.11679	8.7
149.02356	2.7
149.09636	1.8
149.13275	19.9
151.11205	2.6
157.10179	2.9
159.11702	6.0
160.25848	1.3
161.09637	2.0
161.13268	6.8
163.11264	3.3
163.14798	4.9
165.12721	1.7
171.11705	4.8
173.13246	3.4
175.07437	1.6
175.11156	1.5
175.14850	3.8
177.12727	1.8
179.10643	1.9
179.14339	1.6
181.12303	1.4
185.13306	3.6
189.12694	1.7
193.12175	1.4
195.13857	2.6
199.14743	2.4
207.13799	2.3
217.12213	1.9
217.19414	2.0
221.15356	3.0
222.65639	1.1
235.17001	5.8
241.19499	2.5
251.80722	1.4
259.20578	8.6
261.22195	1.5
277.13617	2.7
277.18356	5.0
277.21643	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02379	1.0
53.03946	4.8
55.01863	1.2
55.05513	16.7
57.07083	3.8
57.97043	1.0
59.04983	1.3
65.03936	1.8
67.05508	34.9
69.07066	15.9
69.49464	6.0
71.04980	2.8
71.08557	0.7
79.05495	75.2
81.03406	1.2
81.07059	40.2
83.04957	1.1
83.08618	8.5
85.02921	0.8
85.06532	1.8
91.05481	29.7
93.07046	100.0
95.04971	7.3
95.08611	25.9
97.06509	3.3
97.10165	3.0
98.20753	1.7
101.06018	0.9
105.04523	1.3
105.07032	14.1
107.08596	54.6
109.06516	3.0
109.10160	16.6
111.08076	1.3
117.07010	2.9
119.08582	11.7
121.06538	1.1
121.10147	43.8
123.08092	1.7
123.11715	4.5
125.09593	1.3
125.67019	0.8
129.06992	1.4
131.08565	3.5
133.10127	10.7
135.11699	60.7
137.09669	1.1
139.11171	0.9
143.08551	2.3
145.10115	3.4
147.08018	1.1
147.11705	7.2
149.09619	1.7
149.13269	26.0
157.10130	2.9
159.11693	2.9
161.09569	1.2
161.13290	4.7
163.11205	1.4
163.14828	5.2
165.12817	0.9
171.11694	3.0
173.13303	2.0
175.11234	0.8
175.14812	1.7
177.12737	1.8
179.10739	1.4
181.12244	1.5
185.13271	2.7
189.12781	0.9
193.12267	1.6
195.13841	2.3
201.38608	0.8
203.14363	1.4
207.13742	2.4
213.16379	1.8
217.19505	0.8
221.15373	2.6
235.16977	5.1
241.19514	2.2
259.20590	5.3
277.21637	71.3
278.22043	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	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02386	2.3
53.03931	5.1
55.05518	16.4
57.07073	3.2
65.03894	1.6
67.05167	2.4
67.05510	37.2
67.18552	1.6
69.07066	13.4
69.27477	14.3
79.05499	71.4
81.07063	30.3
83.08613	6.0
85.06553	1.9
87.09229	1.4
91.05483	26.1
93.07051	100.0
95.04971	5.9
95.08606	23.6
97.06534	1.8
97.10159	3.2
103.00120	1.6
105.07033	14.2
107.08610	52.6
109.10168	16.8
117.07005	2.8
119.08618	10.2
121.10145	42.2
123.11754	3.3
131.08585	5.1
133.10143	16.2
135.11702	64.6
137.09692	1.5
143.08604	2.2
145.10159	3.2
147.11702	6.1
149.09702	1.6
149.12170	2.3
149.13278	25.7
159.11710	2.8
161.13274	3.9
163.11172	1.6
163.14830	5.9
164.77249	1.4
171.11653	2.8
173.13278	2.3
175.14748	2.2
177.12766	1.5
181.12260	1.9
185.13283	3.5
195.13795	3.6
221.15350	2.6
235.16925	3.5
259.20636	3.1
277.21652	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	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03940	5.7
53.04162	1.2
55.01877	2.7
55.05262	1.4
55.05515	15.4
56.62257	1.3
56.94323	1.0
57.07068	4.9
58.07428	1.4
60.21782	1.3
65.03924	1.4
67.05508	36.1
69.06716	1.8
69.07069	21.3
69.47997	9.0
71.04978	3.2
71.06914	1.5
71.08606	1.3
73.06538	1.9
77.03969	1.3
79.05497	75.1
80.60194	1.1
81.03410	1.5
81.07060	41.3
83.04971	1.8
83.08633	7.1
85.06535	2.3
88.07625	1.9
89.07977	2.1
91.05489	26.7
93.07049	100.0
95.04958	7.2
95.08053	2.2
95.08619	28.1
97.06551	8.2
97.10167	4.1
98.20776	2.1
99.08107	2.1
105.07035	16.2
107.04953	1.5
107.08595	53.8
109.06514	2.8
109.10165	14.1
111.04462	1.9
111.08097	1.5
117.07019	3.6
119.08573	12.0
121.06500	1.9
121.10149	41.1
121.11029	2.1
123.08088	2.2
123.11711	4.7
129.07013	2.0
131.08595	7.0
133.10150	12.6
135.08098	2.8
135.11705	45.9
137.05974	9.1
137.09607	1.4
137.13240	1.3
143.08553	2.5
145.10120	5.5
147.07996	1.9
147.11699	9.4
149.02383	3.1
149.09613	2.7
149.13268	21.3
157.10143	5.0
159.11734	4.0
161.05994	2.0
161.09567	1.5
161.13248	7.1
163.03894	2.6
163.11150	1.9
163.14815	6.7
167.08638	1.5
167.10667	1.7
171.11700	2.6
173.13303	2.0
175.07556	1.9
175.11186	1.9
175.14789	2.8
177.05540	1.1
177.12816	1.3
179.10603	1.3
185.09666	2.3
185.13287	3.2
189.09140	1.4
189.12764	2.1
193.12273	1.7
195.08096	3.6
195.13834	2.3
199.14897	2.5
201.09068	1.4
207.13864	3.4
213.09148	4.9
213.16472	1.6
217.12164	5.8
217.15787	1.6
221.15367	4.5
223.35626	1.4
231.10179	3.9
231.17482	1.7
235.16969	7.1
241.19548	2.9
249.18562	1.3
259.09634	3.7
259.16730	1.1
259.20618	6.0
259.27264	2.1
277.10654	2.0
277.18433	3.0
277.21649	73.3
277.28250	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2166
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.84067	1.8
53.03942	5.8
55.01863	2.6
55.05513	23.4
57.07078	4.0
57.70412	1.7
65.03947	2.7
65.04777	1.6
67.05514	43.1
68.51786	1.8
69.03419	2.0
69.06770	2.0
69.07082	24.4
71.04996	3.8
71.08632	1.8
71.59535	2.0
77.03946	2.3
77.66132	1.7
79.05502	80.3
81.07065	49.0
83.04996	2.3
83.08646	9.1
85.06545	2.5
91.05492	30.0
93.07055	100.0
95.04988	8.2
95.08609	37.5
97.06544	31.1
97.10171	4.2
105.07036	18.7
106.07437	2.5
107.05008	2.2
107.08606	52.6
109.06535	5.0
109.10152	13.7
111.04433	3.1
111.08110	2.0
115.05476	2.4
117.07033	6.0
119.08579	15.8
121.10158	64.9
121.11028	3.5
123.08088	4.0
123.11736	4.4
125.09623	2.7
129.07002	7.2
131.08592	7.6
131.74814	1.7
133.02795	2.2
133.10153	13.2
135.04420	5.9
135.08070	2.9
135.11705	49.7
137.05977	3.3
139.03928	4.3
142.07822	1.9
143.08598	6.7
145.10150	8.1
147.04451	2.7
147.08032	1.9
147.11745	7.0
149.02348	6.5
149.09662	3.8
149.13269	20.8
153.05450	2.4
153.09018	2.3
157.06519	2.1
157.10138	9.0
159.04305	1.7
159.11736	7.0
161.02495	2.1
161.05943	2.2
161.09595	2.0
161.13315	6.5
163.03902	7.5
163.07492	2.3
163.11244	2.8
163.14882	5.6
165.07008	2.9
165.09067	1.9
167.08539	2.8
171.08052	3.7
171.11697	4.1
173.13271	3.1
175.11128	2.0
175.14885	4.1
179.10809	2.1
181.05017	2.0
181.12276	2.2
184.05191	3.4
185.06071	1.6
185.09686	5.1
185.13304	3.7
189.05525	3.5
189.12781	2.1
191.07150	4.7
195.08043	8.4
199.14963	2.2
201.09143	4.2
202.09755	2.4
203.10780	1.8
203.14383	2.6
213.09167	13.1
213.16281	2.3
215.07115	4.7
217.08649	2.2
221.15337	2.5
231.10233	8.3
233.11832	2.3
235.06079	5.0
235.09634	4.0
235.17021	5.7
241.08665	3.7
241.19592	1.8
259.09732	8.3
259.20505	6.2
277.05063	1.9
277.10849	12.8
277.14990	3.5
277.18381	4.9
277.21674	81.6
278.22003	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	277.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.8
55.01873	12.1
55.05512	9.4
57.03435	21.8
61.02895	6.0
67.05512	100.0
69.03442	47.7
69.77596	5.9
70.06590	11.4
70.44976	19.5
71.05007	7.0
73.02919	20.0
77.68990	6.3
81.03429	29.2
81.07066	18.2
83.04977	14.5
83.08595	10.7
84.08119	7.0
85.02916	46.4
85.06561	24.0
89.12701	6.0
92.23176	5.6
95.04999	13.7
95.05640	6.2
95.08637	5.9
95.36488	5.9
97.02888	49.7
99.04449	12.5
103.03935	13.9
103.05470	7.0
109.02885	16.1
109.10159	91.1
111.04414	10.1
115.03930	20.8
123.04494	11.1
127.03965	28.5
127.11200	22.9
128.33415	5.9
131.04948	9.6
135.04437	6.6
136.07507	6.3
145.04893	8.2
147.04393	9.2
151.04016	6.9
160.31900	6.0
179.10732	7.3
197.93326	5.8
212.81381	6.5
228.21655	7.3
235.16968	6.6
241.06911	8.6
265.32791	6.7
277.09143	13.8
277.18149	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	277.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99112	0.6
56.21402	0.6
57.16803	0.5
69.03419	1.0
69.94270	3.2
70.06591	1.0
72.04525	1.8
81.07030	0.7
85.02877	1.0
86.02440	3.0
86.09736	0.9
91.05495	2.4
97.02887	0.8
115.05486	3.5
117.05746	2.7
117.07020	2.3
118.06550	44.0
119.04913	0.7
127.03905	1.0
130.06488	3.0
132.08099	28.8
136.07619	0.8
142.06529	3.9
143.07301	5.3
144.04483	0.7
144.08096	24.3
146.06017	87.4
147.04405	1.6
154.06519	1.1
156.06749	0.6
158.08409	6.9
160.07625	0.9
165.22002	0.7
170.06036	6.5
171.09163	2.7
188.07076	100.0
189.07455	1.4
221.05923	1.7
225.97685	0.8
231.11305	15.2
249.05423	1.4
252.98064	0.8
271.97824	0.7
277.04865	1.7
277.11777	3.1
277.17984	0.9
295.43146	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	277.1435
Annotation	Cordiaquinol K
Peak:m/z	Relative Intensity
51.59601	1.1
55.01870	6.6
55.05260	1.6
55.05514	15.8
55.87243	1.5
56.71493	1.3
56.96573	1.7
57.03427	4.1
57.07092	2.8
58.07411	1.4
65.03928	1.7
67.05506	13.1
69.03436	2.9
69.07066	8.3
69.21478	1.3
70.06583	4.7
71.04974	2.1
71.06908	1.9
71.08640	1.9
71.58611	2.1
71.58945	1.2
72.08962	1.4
72.41801	1.1
79.05495	21.9
80.85709	1.3
81.07067	15.8
83.04993	9.6
83.08635	2.8
85.02879	2.3
88.07623	5.2
89.07941	3.2
91.04977	1.3
91.05490	16.7
93.06471	2.3
93.07047	37.6
95.04967	5.4
95.08607	10.9
97.06551	11.8
99.04432	1.7
101.05999	3.3
105.07041	10.6
106.07352	2.5
107.04945	2.7
107.08568	19.0
108.09014	1.5
109.06514	3.5
109.10153	5.9
111.04424	3.2
117.07028	3.7
119.04898	1.5
119.08573	9.3
121.06483	3.9
121.10154	15.5
123.08053	4.4
123.32851	1.3
125.05963	2.5
128.06201	2.2
129.06969	4.1
131.08563	3.9
133.06496	5.6
133.10112	7.5
134.10478	2.4
135.08047	10.0
135.11693	11.8
137.05978	4.4
137.09613	5.9
139.07538	12.4
141.06984	3.2
142.07765	3.7
143.08585	9.0
145.10120	5.6
147.08011	3.6
147.11668	3.5
149.02325	2.2
149.09616	5.6
149.13362	3.2
151.07524	13.6
152.08344	2.3
153.07010	1.5
155.08533	3.2
156.09351	5.4
157.10129	9.6
158.07262	1.4
159.08102	6.3
159.11681	2.3
160.08780	2.5
161.05959	3.8
161.09642	9.0
161.13309	2.9
162.06725	2.3
163.03911	4.2
163.07544	7.3
163.11179	1.8
163.14713	1.3
165.06979	5.1
165.09116	35.3
167.08537	2.5
169.10213	1.7
170.10898	5.8
171.08040	3.4
171.11710	8.0
172.08783	2.1
172.42123	1.3
173.09644	7.2
173.13222	1.8
174.06810	4.2
174.10381	6.9
175.07535	11.7
175.11227	8.5
175.14847	3.6
176.08270	6.4
177.09108	7.1
179.07048	2.3
180.09308	4.0
183.08084	4.6
184.08884	1.6
185.09654	4.3
185.13243	8.7
187.07541	2.7
187.11244	7.2
188.08302	6.0
188.11993	3.6
189.09114	38.2
189.12746	13.9
190.09865	5.5
191.03471	2.7
195.08055	4.1
195.11690	5.0
197.09543	2.0
198.10347	5.8
199.11148	6.4
201.09100	6.3
202.09894	14.6
203.10674	28.5
203.14413	6.9
209.09554	1.6
211.07581	6.9
213.09143	5.2
213.12691	15.7
213.16231	1.6
215.07222	3.0
215.10686	28.0
216.11462	12.2
217.08604	4.6
217.12227	26.8
223.11203	4.3
224.55504	1.3
226.09926	20.1
229.08710	2.0
231.10049	3.7
231.13806	100.0
235.16992	2.1
241.12250	34.1
241.19371	1.9
244.10927	7.3
249.11263	3.9
259.09747	4.9
259.13306	82.1
259.20703	3.2
276.28122	3.3
277.11188	1.7
277.14383	21.5
277.17990	2.7
277.21558	19.5
277.28320	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	277.1073
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
52.73246	1.1
53.12614	1.0
55.01874	2.0
55.05510	1.6
57.11888	1.0
67.05492	2.1
69.03429	1.7
69.07059	3.4
69.46399	8.2
70.03794	1.2
75.33411	1.0
79.05487	2.4
81.07046	6.2
86.43427	1.2
90.21973	1.0
91.05453	2.2
93.07009	1.9
93.44720	1.0
94.07728	1.1
95.08604	1.9
97.06516	2.1
103.05486	1.3
105.07051	1.1
109.10120	1.7
115.05464	3.1
117.07015	2.2
123.04440	1.1
128.06218	9.2
129.07018	28.0
131.08597	2.0
133.06496	1.6
137.05949	1.5
141.06985	9.1
142.07790	8.0
143.08574	13.1
145.06499	2.4
145.10092	1.5
147.04384	2.5
152.06250	6.2
153.06964	2.9
154.07791	5.3
155.08456	1.9
157.06529	7.0
157.10141	45.6
158.10379	1.2
159.08051	2.6
160.75807	1.4
161.06006	7.4
165.05640	1.5
165.07018	4.5
166.07854	1.7
167.04887	2.1
167.08589	25.4
168.05759	2.7
168.09120	1.5
169.06468	7.0
169.10165	6.1
170.07248	2.7
171.04523	1.3
171.08064	16.1
173.05981	6.1
173.09682	1.4
174.06934	1.2
175.03935	2.3
177.07031	2.1
179.08640	3.2
181.04971	1.5
181.06453	1.9
182.07417	1.4
183.08046	2.4
184.05214	23.1
185.06046	11.0
185.09633	44.6
186.06726	1.1
187.07535	9.9
188.08356	2.0
189.05464	3.0
189.09160	2.4
195.08070	71.1
197.09616	12.7
198.06772	2.6
199.07491	5.5
200.08350	1.7
201.09108	31.2
202.09743	1.8
203.10689	13.1
213.09116	100.0
214.09648	2.0
215.10742	7.4
217.08604	12.6
221.06082	1.4
223.07497	2.2
231.10170	22.3
231.17635	1.1
235.06030	1.7
241.08626	33.0
241.11055	2.4
249.05382	1.5
259.09674	25.6
260.10391	1.4
277.04901	4.1
277.07852	1.8
277.10751	30.6
277.21411	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	275.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06824	0.4
57.07077	4.8
57.09628	0.2
58.06592	0.5
58.07416	2.1
62.06076	0.5
64.35349	0.2
67.05463	0.3
69.07085	0.3
69.80250	1.5
70.06596	8.0
71.06310	0.4
71.06933	2.6
71.08634	2.0
72.08955	1.2
79.05482	0.3
81.07038	0.4
85.10170	0.9
86.10509	0.4
88.07634	11.9
89.07394	0.4
89.07961	3.6
91.05473	0.6
93.07024	0.4
95.08627	0.4
95.58051	0.3
98.20774	0.5
102.09190	2.4
103.09518	1.0
105.07016	1.1
106.07999	0.5
106.08672	5.9
107.09025	1.4
113.52906	0.3
119.08631	0.4
131.08615	0.4
133.10098	0.8
134.36089	0.3
159.11676	0.4
173.13162	0.3
213.24100	0.8
231.25108	0.7
257.26715	6.1
275.20178	1.8
275.27756	100.0
276.27997	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21205	32.9
70.80702	57.8
70.81036	63.7
75.22060	27.2
84.08141	53.1
85.02951	28.2
98.97612	36.2
119.01921	85.4
143.01866	41.2
161.03035	34.7
168.83720	28.3
173.03087	34.1
277.03284	77.2
277.08914	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	277.1072
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
51.23812	1.0
55.01875	5.5
55.05518	14.1
57.07063	2.0
67.05514	5.2
69.03417	1.6
69.07071	7.8
69.55810	7.4
71.04980	1.8
79.05507	5.6
81.07059	7.2
83.04979	10.8
83.08620	1.1
85.06534	2.2
91.05470	4.7
93.03397	1.1
93.07045	6.1
95.04960	1.3
95.08594	4.1
97.06528	6.1
103.05453	4.7
105.07038	6.3
107.08583	3.8
109.02848	1.0
109.06461	1.6
109.10118	2.6
111.04408	2.6
115.05453	19.0
117.07010	2.7
118.97092	1.3
119.08589	3.8
121.06516	1.8
121.10134	4.8
123.04429	11.9
128.06229	5.0
129.07016	8.3
130.04124	1.3
131.04916	9.8
131.08611	1.4
133.06465	7.7
133.10178	1.8
135.04430	3.1
135.11671	2.8
137.06003	6.3
139.03902	3.9
141.06952	2.9
142.07753	10.4
143.04924	40.4
143.08592	5.7
144.05722	2.3
145.06464	3.3
145.10114	2.8
145.94708	1.1
147.04422	18.2
147.11711	1.3
148.05165	2.8
149.05931	9.9
149.13202	1.4
151.03957	1.9
151.07518	1.6
152.06229	3.1
155.06073	1.1
157.06470	6.3
157.10135	16.5
159.08157	1.3
159.11694	3.4
160.05145	3.0
161.05983	89.8
162.06717	4.6
163.03877	3.3
163.07567	2.4
164.04631	1.3
165.05507	2.7
165.06949	1.5
167.03456	1.8
167.08612	8.2
169.06465	1.5
169.10197	1.3
170.07251	3.6
171.04385	3.3
171.08031	3.6
173.05978	10.8
174.06749	5.1
175.03957	5.0
175.07529	8.2
175.11188	1.5
176.04684	2.2
177.05478	8.5
179.07031	3.3
181.05006	1.8
184.05200	2.0
185.06068	2.3
185.08005	2.0
185.09624	23.3
187.07524	2.5
189.05475	29.7
189.09070	6.9
191.06999	1.8
193.04964	3.8
195.08035	9.5
199.07652	1.5
201.09123	2.0
202.06200	3.1
202.09871	1.6
203.10681	100.0
204.11038	1.2
207.06467	5.3
213.09125	12.0
213.16426	3.4
215.06947	1.3
215.10693	1.7
217.05013	1.9
217.08571	3.5
221.05989	2.4
221.11581	1.7
231.10190	29.7
231.17456	3.6
234.06770	1.5
235.06009	29.5
235.16913	1.8
241.08661	2.1
249.05472	1.7
249.11169	3.3
259.09622	3.1
259.16956	2.6
277.04916	4.2
277.10785	29.0
277.17966	3.0
277.21606	5.7
277.24609	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03942	2.7
55.01883	2.8
55.02110	0.6
55.05258	1.0
55.05517	17.9
57.03442	1.1
57.07083	1.7
65.03948	1.5
67.05509	23.0
69.03445	1.1
69.06713	0.9
69.07073	13.0
70.12001	1.0
71.04991	2.4
71.08646	1.0
77.03936	0.8
79.05499	24.8
81.03407	2.5
81.07065	30.6
83.05004	3.0
83.08619	5.6
85.06573	1.1
91.05488	43.3
93.07050	25.6
93.83604	0.5
95.04984	4.9
95.08616	18.1
97.06544	3.7
97.10167	3.6
103.05487	2.2
105.07040	65.4
107.04967	4.3
107.08604	19.1
109.02879	1.0
109.06511	3.9
109.10159	9.5
111.08079	1.4
113.06006	0.6
113.34641	0.5
115.05460	1.7
117.07023	11.2
118.07834	0.7
119.08590	40.7
121.06519	4.0
121.10154	10.6
123.08118	2.8
123.11711	2.3
125.09640	1.8
127.07545	0.7
129.07016	2.0
130.07805	0.8
131.04964	2.9
131.08571	15.9
132.09398	0.7
133.06537	0.8
133.10139	44.6
135.08058	3.9
135.11705	5.1
137.09639	4.1
137.13254	1.1
139.11188	0.6
141.07022	1.1
142.07770	0.7
143.08545	2.4
145.10138	13.9
146.10890	1.0
147.08054	1.4
147.11694	21.9
149.09637	5.4
149.13292	5.0
151.07588	0.5
151.11212	2.5
155.08551	2.3
157.10147	3.2
159.08089	0.5
159.11713	7.9
161.09628	1.6
161.13275	6.0
163.11226	5.6
163.14893	2.7
165.09120	1.2
165.12790	1.2
167.10713	0.6
169.10086	2.7
171.11717	3.5
173.13263	5.4
175.11218	1.6
175.14854	1.1
177.12785	1.4
177.16347	0.7
179.14349	0.7
181.12291	0.8
183.11720	2.2
185.13280	1.1
187.11180	1.1
187.14832	1.1
191.14374	1.0
193.12204	0.7
197.13251	2.5
201.12782	1.6
205.12187	0.6
205.19405	0.6
207.13896	0.7
211.14862	0.9
213.16322	0.8
215.14366	1.0
215.18121	1.2
219.13754	1.0
219.21082	0.9
229.15964	0.8
229.19470	4.3
233.15414	1.2
233.19012	1.2
239.17967	7.3
247.07486	0.8
247.20610	2.8
257.19012	11.9
275.09158	1.4
275.20074	100.0
275.27246	2.9
276.20486	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03934	2.9
55.01875	4.9
55.05259	1.5
55.05512	22.2
57.03436	1.9
65.03954	1.5
66.73992	1.0
67.05510	29.9
69.03448	1.4
69.07076	8.9
69.48393	3.0
69.48817	4.8
71.04993	2.5
74.36627	0.9
77.05869	1.0
77.42741	0.9
79.05497	41.9
81.07060	20.8
83.04974	1.6
83.08617	4.5
91.05489	34.3
93.07049	25.2
95.04964	2.9
95.08598	9.0
97.06533	1.6
97.10168	5.0
98.21465	2.1
103.05447	1.0
103.23956	0.9
103.24694	1.1
105.07035	41.1
107.04961	24.7
107.08601	27.8
109.06554	2.1
109.10168	15.3
111.08070	2.4
115.05490	1.6
117.07040	11.0
119.07796	2.1
119.08590	28.3
121.06507	2.6
121.10162	11.0
123.08128	1.5
123.11694	3.7
125.09643	5.9
129.07018	2.2
131.08582	11.7
133.06506	1.8
133.10139	26.8
135.08055	5.5
135.11673	4.1
137.09595	1.2
143.08549	1.7
145.10127	14.3
147.11688	18.7
149.09631	47.1
150.61263	0.9
153.09145	1.9
155.10631	2.2
157.10106	2.1
159.11720	10.5
161.13277	8.4
163.11220	2.1
168.79111	1.1
169.10144	1.5
169.12239	3.6
171.11761	2.7
173.11746	5.1
173.13295	5.1
175.11011	1.1
177.12741	1.1
183.04311	0.9
183.11679	2.1
187.11200	2.9
187.13354	1.3
187.14870	1.3
197.13295	2.0
201.12875	1.0
215.17940	2.6
229.19511	8.9
233.15425	2.1
233.82510	1.2
239.17937	3.7
247.20627	2.4
257.19034	19.4
275.20078	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	1.6
55.01871	1.9
55.05513	13.4
56.85074	1.1
57.07066	3.0
58.94080	0.9
65.03934	1.3
67.05173	1.1
67.05508	17.0
69.03438	1.3
69.06766	0.9
69.07071	8.7
70.06584	3.1
71.04983	1.2
71.21140	1.3
72.34899	0.9
79.05499	17.9
81.03426	1.0
81.07068	17.7
83.04964	2.0
83.08627	4.8
85.06534	1.7
88.07641	4.5
89.07964	1.8
91.05488	44.7
93.07059	16.9
95.04967	1.6
95.08621	11.2
97.06533	1.5
97.10158	2.9
102.09182	1.2
103.05457	0.9
103.09505	1.2
105.07040	63.1
106.08657	2.0
107.04942	3.1
107.08601	13.1
109.06519	2.2
109.10175	4.4
111.08076	1.2
117.07050	11.4
119.08591	33.3
121.00486	1.7
121.06474	1.4
121.10118	4.5
123.11697	1.5
125.09659	1.3
128.18134	0.9
129.07008	3.1
131.08586	14.3
132.09360	1.3
133.06458	0.8
133.10143	42.4
135.08084	2.7
135.11711	2.9
135.81027	0.9
141.06984	1.3
143.08574	3.2
145.06604	1.1
145.10130	17.2
147.08136	1.1
147.11700	22.2
149.09624	5.1
157.10147	2.6
159.11722	8.6
161.13261	5.0
163.11215	2.3
167.99690	0.9
169.10173	1.7
171.11703	3.6
172.07843	0.8
173.13304	4.3
175.11101	1.7
175.14809	1.3
177.00191	0.8
183.11667	2.8
185.13280	1.8
187.11113	1.1
187.14877	1.5
197.13315	2.2
200.85396	1.0
211.14825	1.8
229.19540	2.0
239.17940	4.6
242.45558	0.8
257.19003	10.3
257.26746	1.4
275.20090	100.0
275.27777	39.0
276.20493	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03939	1.9
55.01867	2.5
55.05514	13.5
57.03434	1.0
57.07069	1.2
58.35395	0.6
65.03933	1.4
67.05507	18.0
69.03420	1.1
69.07073	10.7
71.04992	1.6
71.08646	1.0
79.05502	18.6
79.05961	1.2
81.03419	3.0
81.07061	23.1
83.04980	2.0
83.08619	5.7
85.06539	1.4
88.07673	0.6
91.05486	41.2
93.07047	16.3
95.04969	3.0
95.08607	19.9
97.06521	3.2
97.10171	2.6
103.05466	2.6
103.83673	0.6
103.87928	0.7
104.06261	0.7
105.07037	59.4
107.04960	2.7
107.07873	0.8
107.08601	15.8
109.06515	2.3
109.09554	0.8
109.10165	8.4
113.05998	0.8
115.05475	0.9
116.06204	0.6
117.07024	10.0
119.08588	36.4
121.06512	2.3
121.10158	8.8
123.08048	1.7
123.11728	3.1
125.09605	1.4
128.06201	0.8
129.06996	2.5
130.07759	1.3
131.04935	2.5
131.08582	14.7
132.09367	1.1
133.06544	1.4
133.10139	33.3
135.08076	2.9
135.11696	3.9
137.09622	2.0
137.13263	2.2
141.07001	0.7
142.07843	0.6
143.08580	2.5
145.09042	1.0
145.10132	13.4
147.08127	1.2
147.11696	21.5
149.09639	4.0
149.13281	2.7
151.11179	1.1
155.08548	1.5
155.39246	0.6
157.10165	1.9
159.11702	9.1
161.09631	1.6
161.13251	6.3
163.11179	3.4
163.14865	1.0
163.50949	0.5
165.09224	1.2
167.10728	0.7
169.10114	2.0
171.11690	2.4
173.09630	1.2
173.13322	5.0
175.11198	1.7
175.14853	1.0
177.12744	1.1
177.16368	0.8
181.48901	0.6
183.11688	2.2
185.13176	1.1
187.11241	1.2
187.14833	0.8
193.12199	0.7
197.13248	2.4
201.12746	1.4
211.14893	1.0
213.16425	0.6
215.17961	1.1
229.19551	1.5
233.19066	0.9
239.17961	2.6
247.20708	1.7
257.19022	7.6
275.20084	100.0
275.27533	3.4
276.20581	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	2.7
54.42764	1.2
55.01880	10.9
55.05514	17.7
57.03428	3.1
67.05510	22.1
69.03435	1.3
69.06767	1.3
69.07071	12.9
70.06573	1.3
70.53081	1.1
71.04989	2.5
71.20705	2.9
71.85848	1.2
78.36854	1.1
79.05055	2.4
79.05495	30.1
81.03420	2.4
81.07065	37.9
83.04981	3.0
83.08622	6.1
83.33182	1.2
85.06580	2.0
91.05482	58.7
93.07052	23.0
95.04970	5.1
95.08607	17.9
97.06535	14.6
97.10152	1.5
103.05486	2.6
105.07034	87.2
107.04966	8.2
107.08588	15.6
109.06511	4.0
109.10139	7.6
111.08072	2.1
115.05439	2.5
117.07018	12.7
119.08580	42.2
121.06496	3.1
121.10131	7.7
123.08074	3.0
123.11671	1.6
125.09605	1.5
129.07007	2.6
131.08580	17.1
133.10133	51.4
135.08057	4.5
135.11688	4.2
137.09583	2.8
143.08571	4.0
145.10143	18.0
147.11693	24.3
149.09641	9.9
149.13210	1.4
151.11183	1.6
157.10173	4.0
159.11690	10.1
161.13263	5.3
163.11176	2.7
164.23396	1.2
165.09151	1.7
165.12750	1.4
170.14082	1.3
171.11659	3.8
173.13257	4.8
183.11653	2.9
185.13240	2.1
197.13156	2.7
203.14331	3.1
219.13808	1.2
219.17534	5.7
229.19615	2.8
233.15381	1.7
239.17976	1.6
247.20592	2.5
257.19043	10.9
275.05118	2.1
275.20093	100.0
275.27744	5.3
276.20395	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	275.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05521	1.4
56.96571	29.0
57.03437	2.1
61.02915	2.5
67.05508	1.0
69.03432	6.0
69.07076	0.9
70.06583	2.6
70.98131	5.4
71.57247	1.4
71.95262	2.8
72.08149	1.5
73.02911	3.4
74.97622	1.4
81.03432	2.8
82.06590	1.5
82.15202	0.8
84.04498	1.0
84.08138	3.6
84.96029	1.2
85.02906	10.6
86.09719	1.7
87.04466	1.0
88.99151	1.8
91.03973	0.9
91.05442	0.8
95.04951	0.9
95.06078	1.1
96.06470	0.8
97.02906	5.7
98.97593	71.0
101.00886	4.0
107.00177	0.9
108.04498	2.4
109.02911	1.3
110.97585	3.8
111.05595	0.9
112.07611	1.9
112.08772	1.2
113.00866	1.2
113.05995	1.3
113.07156	2.0
113.09086	1.0
114.05531	1.1
115.02416	1.0
116.98635	48.3
119.01923	8.5
119.04939	1.3
123.04459	2.7
125.07109	11.9
126.05525	1.1
127.03927	3.4
128.98615	6.0
130.08669	1.0
131.00229	2.1
131.01923	4.7
133.03462	1.6
134.99675	21.2
137.02985	0.8
140.00172	2.0
140.98560	1.1
143.00166	1.0
143.01866	6.3
143.08125	1.4
145.03477	2.3
146.99692	5.0
147.04404	1.1
149.01303	2.3
149.02946	1.3
149.06613	0.8
151.83649	0.8
152.04068	0.8
153.00638	2.3
155.01895	4.5
156.02690	1.6
157.03427	1.3
158.01286	1.7
158.99673	3.4
159.05063	1.8
161.01260	1.3
161.02977	8.6
163.02754	1.8
165.00755	2.5
167.02345	0.8
170.99666	1.1
172.94400	2.3
172.97569	3.0
173.01271	2.0
173.02975	4.4
173.06650	3.4
174.99144	5.5
175.04402	0.9
177.00734	3.4
177.06140	1.0
179.81778	0.8
185.02931	2.5
185.06604	3.2
187.04543	0.8
189.00710	1.6
189.04173	1.4
190.95416	2.7
190.98650	8.5
191.02306	1.2
191.03883	2.1
191.07571	1.7
193.00243	6.7
194.03439	4.3
201.00667	1.0
203.04050	2.9
203.05882	1.3
203.07687	3.0
207.01695	1.0
208.99695	1.7
210.99252	1.0
215.02165	1.4
215.07796	1.5
217.55350	0.8
218.98232	1.6
219.01770	2.4
220.02821	1.2
221.05118	4.4
223.01295	1.1
229.00203	1.1
232.96437	5.9
232.99701	4.2
237.02914	4.6
238.03990	1.3
243.01843	1.9
247.01202	1.0
250.97575	1.4
251.00720	1.6
256.96506	7.5
257.08676	1.5
257.11380	1.6
267.01852	2.7
268.04709	1.0
274.97528	50.1
275.11047	100.0
275.27728	1.1
285.02951	2.5
288.98874	1.1
292.98578	24.1
293.10928	3.3
297.99167	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	275.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89303	0.7
55.05500	0.8
55.93520	1.0
59.56175	0.6
67.05495	1.1
69.03411	0.9
69.91271	3.0
70.06592	1.0
71.04979	0.7
74.02450	6.0
74.06070	0.8
79.05475	0.8
81.03414	1.0
81.07062	1.0
86.09703	1.2
91.05455	1.4
113.06037	0.8
115.05467	1.0
116.07089	0.9
117.05740	0.6
117.07070	0.7
118.06567	4.4
119.08605	1.2
119.92410	0.6
128.06239	2.5
129.07018	26.3
130.06532	11.4
132.08147	1.4
137.34337	0.6
142.06546	2.2
143.07329	2.1
144.08081	3.4
146.06026	10.1
154.06517	2.4
155.07301	1.5
156.08102	63.5
157.08861	1.2
158.09669	9.7
160.07581	1.5
167.07320	2.7
168.08104	20.8
169.07634	10.8
170.06017	3.2
170.08377	0.6
184.07593	56.3
188.07089	8.3
193.07690	1.0
194.05989	1.5
194.08424	4.4
195.09206	1.2
195.45554	0.6
196.07614	10.7
198.05515	5.1
202.08647	100.0
205.96620	1.3
211.08661	4.0
212.07051	1.9
213.10208	2.0
214.08597	3.1
215.03395	0.8
215.06242	1.1
215.08202	22.6
222.05562	0.7
226.07422	5.2
231.11293	3.4
240.06641	1.4
257.09225	8.8
257.13034	0.7
258.05170	1.1
258.07632	10.3
275.04874	30.4
275.10205	7.9
275.13489	1.0
275.14017	1.3
275.20044	1.2
278.89590	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	275.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81763	1.2
56.96566	80.0
57.03428	1.6
61.02923	2.4
69.03426	2.2
70.63811	2.9
70.64153	1.5
70.98120	23.5
71.95277	1.2
72.08157	1.3
73.02918	5.1
77.00889	1.4
82.06570	3.8
84.04515	3.6
84.08169	2.4
84.96059	1.6
85.02911	5.0
86.09728	2.3
88.99162	8.2
95.06087	1.3
98.97584	72.9
101.00890	5.8
108.04465	4.7
110.97565	22.8
112.08728	1.7
113.00871	3.0
113.07128	2.6
116.98625	34.5
119.01917	11.0
125.07114	39.5
126.05498	2.0
128.98605	26.7
131.00183	1.5
131.01907	6.4
133.03479	2.1
134.99641	12.6
135.05135	1.5
137.02870	1.5
140.00235	1.2
143.01935	2.2
143.08223	3.0
145.03484	3.9
146.99635	18.2
149.01259	1.6
154.96510	3.2
155.01892	3.0
156.98083	16.6
157.03508	3.5
159.05099	2.9
161.03062	3.2
165.00728	6.7
166.54982	1.4
172.94443	2.2
172.97580	20.4
173.01456	1.9
173.02945	3.1
174.99147	96.8
175.04529	1.8
177.00829	2.2
177.02457	1.9
185.02959	2.7
185.06689	1.7
189.00775	1.5
190.95450	2.5
190.98630	38.0
193.00212	100.0
198.00743	1.8
200.96989	1.3
203.04030	5.6
205.00182	3.7
208.99664	5.9
211.01343	5.6
213.02644	1.7
214.98671	4.0
216.01895	1.8
218.98140	11.8
221.05013	2.3
223.01334	2.8
231.03511	2.5
232.96494	4.3
232.99677	18.4
236.99156	3.2
237.02748	1.9
250.97574	1.9
251.00743	10.1
256.96359	6.5
256.99768	1.5
257.11450	3.7
269.01743	1.9
274.97586	44.4
275.00830	8.2
275.07303	3.0
275.10056	1.7
275.12387	4.7
292.98563	21.3
293.01758	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	274.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30118	0.6
56.96571	10.8
63.16629	0.6
64.50949	0.6
70.29980	2.0
71.95261	1.8
73.46994	0.5
79.03636	0.5
98.97592	100.0
116.98634	46.9
129.62917	0.5
130.93295	1.4
134.99658	12.3
140.00209	1.2
152.58757	0.5
172.94345	4.9
190.95406	2.8
204.03215	0.5
208.96529	0.6
214.95517	2.0
221.05193	0.6
232.96468	6.2
250.97566	2.6
256.96432	12.0
274.97531	74.8
288.98941	0.7
292.98581	37.0
297.99152	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	275.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62709	0.9
56.96571	44.7
69.03406	0.9
70.06563	1.0
70.64889	2.3
70.81849	0.6
70.98128	5.9
71.95258	0.8
73.02917	1.6
82.06558	0.8
85.02910	1.3
87.87257	0.7
88.99154	2.1
98.97590	18.3
101.00867	1.5
108.04469	1.9
110.97580	21.8
112.08727	0.9
112.99124	0.7
113.00842	0.9
116.98634	11.0
117.80991	0.7
119.01929	4.7
125.07133	9.6
128.97664	1.3
128.98621	22.3
131.01901	2.5
133.03444	0.8
134.99672	3.4
137.02959	0.7
143.01929	0.7
143.08142	0.8
145.03381	1.0
146.99652	12.5
149.01158	0.8
154.96489	1.8
156.15663	0.8
156.98097	18.0
156.99358	1.2
157.03548	0.9
159.05066	0.7
161.02965	1.5
163.02776	0.8
165.00742	2.4
172.94341	1.0
172.97589	6.5
173.03088	1.0
174.99161	100.0
177.02412	1.0
189.00699	0.9
190.98645	10.3
193.00224	89.6
198.00806	1.5
199.48643	0.7
203.04041	2.3
203.07658	0.7
205.00238	1.7
208.99684	2.0
211.01326	4.0
213.02428	1.3
216.01819	1.8
218.98135	3.4
219.01738	1.2
232.96355	1.0
232.99695	7.0
251.00844	4.0
256.96536	1.9
256.99576	1.3
257.11349	1.2
274.97528	11.1
275.00757	9.1
275.06473	0.8
276.98126	0.7
292.98550	5.1
293.01572	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	274.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
56.05045	1.1
56.96571	45.0
61.02916	1.2
66.44026	0.7
67.05489	1.3
69.03433	1.8
70.06587	2.4
70.38428	1.7
70.38837	1.4
70.98132	10.1
71.95271	4.2
72.08169	3.6
73.02921	3.4
81.03433	1.6
82.06577	1.7
84.08161	2.7
84.96059	1.5
85.02908	3.6
86.09691	1.6
88.99157	3.3
89.62956	0.7
95.06113	0.9
97.02906	2.9
98.97591	100.0
101.00871	1.3
107.00214	1.0
108.04488	3.3
110.97579	6.5
112.08739	2.8
112.99129	1.2
113.00887	1.2
116.98632	64.9
119.01937	4.0
125.07136	20.2
126.05530	0.9
128.98607	8.3
129.10284	1.2
130.93291	1.7
131.00171	1.1
131.01909	1.8
134.98628	1.3
134.99669	25.6
140.00194	1.3
143.00230	1.6
143.01923	2.5
143.08156	1.5
143.82684	0.8
146.99664	9.4
149.01227	1.5
153.00739	2.1
154.96516	1.3
155.01884	0.9
156.98105	4.4
158.99690	1.9
159.05026	1.2
161.01538	0.8
161.02921	3.8
165.00740	4.3
172.94388	3.1
172.97617	6.9
173.01279	1.6
173.03020	2.1
173.04611	0.9
173.06564	1.2
174.99162	26.3
175.02811	0.9
177.00745	1.6
185.02934	0.8
185.06612	1.1
189.00763	1.4
189.04317	0.8
190.95459	5.7
190.98640	20.0
191.00287	1.3
191.03918	1.0
193.00223	31.6
194.03395	1.2
201.00656	1.0
203.05788	1.5
203.07599	1.2
205.00185	2.2
205.03754	0.9
208.96477	2.3
208.99739	2.9
211.01253	2.1
214.95462	2.2
215.04059	0.9
216.01888	0.8
218.98189	3.9
219.01741	1.9
219.18140	0.7
220.02904	2.0
221.05180	1.7
223.01331	1.5
232.96550	6.9
232.99649	8.3
236.99255	1.2
237.02795	1.7
243.01756	1.2
250.97610	4.0
251.00645	4.3
256.96439	11.0
257.11325	1.7
274.27512	1.6
274.97543	79.9
275.10971	38.1
288.99118	1.3
292.98578	42.3
293.99261	0.7
297.99149	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03919	3.4
55.05515	19.2
57.07063	10.9
58.07046	2.1
67.05213	2.7
67.05507	27.0
69.06734	3.0
69.07071	38.6
69.93070	13.0
71.08634	3.7
79.05497	17.8
81.07058	72.3
83.08605	18.2
85.44059	2.6
87.08448	2.3
91.05464	13.7
93.07047	38.4
95.08611	91.4
96.88767	2.4
97.10172	8.9
98.20845	3.0
105.06395	2.9
105.07041	31.4
107.08602	61.2
107.99724	2.5
109.10166	61.6
111.11728	3.1
119.08581	25.9
121.10136	49.8
123.11702	50.0
123.40111	2.2
128.40433	2.5
129.56897	2.3
131.08522	3.8
133.10146	19.8
135.11710	38.7
137.13223	10.7
145.10159	3.8
147.11662	20.4
149.13264	53.6
151.14796	4.7
159.11644	4.0
161.13264	29.5
163.14832	30.5
165.16376	4.5
171.22783	2.8
175.14853	17.1
177.16402	19.7
189.16368	22.6
191.17931	12.1
203.17955	19.5
217.19507	31.4
231.21053	6.4
255.21062	3.7
273.18515	7.9
273.22394	10.6
273.25769	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	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01853	1.5
55.05511	7.7
57.07071	3.9
58.50862	1.6
59.05001	1.6
66.36031	1.6
66.55713	1.8
67.05515	9.8
69.07070	9.2
69.57711	3.0
69.58112	7.5
71.04991	5.3
79.05482	9.4
81.07063	12.0
83.04973	6.1
83.08617	3.9
85.02899	3.0
85.06544	4.3
91.05479	10.6
93.07044	11.9
95.04981	22.3
95.08611	11.6
97.06541	1.9
105.07044	21.4
107.08594	14.7
109.06521	18.4
109.10169	12.4
111.08074	4.2
115.05467	2.6
117.07034	6.8
119.08585	26.5
121.06499	5.8
121.10161	10.4
123.08076	16.9
123.11693	3.7
128.06230	3.1
129.07021	5.4
130.07787	5.3
131.08574	18.6
133.06512	2.2
133.10147	12.8
135.08076	7.9
135.11691	3.9
137.09644	8.1
141.07018	2.0
142.07809	5.1
143.08575	13.8
144.09341	3.5
145.06453	2.3
145.10126	45.8
147.08076	6.0
147.11714	18.0
149.09621	2.7
149.13333	2.2
151.07574	3.3
151.11186	3.7
151.12347	1.5
155.08553	4.7
156.09317	7.6
157.10139	28.0
158.10912	4.6
159.08098	4.7
159.11765	16.1
161.09624	6.8
161.13268	6.7
163.11223	4.1
167.08597	1.7
169.10133	6.7
170.10947	3.9
171.11705	23.7
172.12538	2.3
173.09650	8.7
173.13258	22.1
173.14655	1.7
175.11165	12.1
177.12793	2.4
181.10109	3.9
182.10995	4.0
183.11697	4.5
185.09616	1.7
185.13271	13.9
186.10480	2.2
187.11201	15.1
187.14809	7.4
189.12772	19.4
189.16469	2.4
190.13475	1.6
191.14404	2.7
195.11745	4.4
195.84460	1.7
197.13316	14.6
199.11160	8.4
199.14857	2.9
201.12650	3.1
201.16206	1.6
203.14354	4.8
209.13362	1.6
211.14766	3.7
212.15572	3.8
213.12769	5.7
213.16397	14.9
215.14323	40.7
215.16302	3.0
217.12279	8.5
222.14063	1.8
225.12823	2.8
227.17944	5.1
229.15868	4.1
231.17430	17.0
237.16370	5.2
240.15166	2.7
245.19044	2.4
255.17461	31.2
273.06647	4.1
273.18518	100.0
273.25714	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	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03933	1.2
55.01876	7.3
55.05517	13.7
57.03421	3.1
57.07069	1.4
59.04983	0.9
62.61304	0.8
67.05511	14.6
69.03426	1.8
69.07073	8.7
71.04986	2.4
71.58865	1.4
79.05498	14.8
81.03418	2.3
81.07064	15.9
83.04990	2.0
83.08633	5.9
85.06550	1.1
88.69472	0.8
91.05489	30.5
93.07049	10.8
95.04991	4.9
95.08621	10.0
97.06525	2.0
97.10158	2.6
98.72688	0.8
103.05458	1.7
105.03482	0.9
105.07038	23.4
106.24445	0.9
107.04964	3.7
107.08604	8.8
109.06531	2.5
109.10184	6.5
111.08136	1.4
115.05454	3.6
116.06233	3.1
117.07029	26.1
119.04922	1.8
119.08595	31.7
119.57087	0.8
121.06491	2.4
121.10161	6.4
123.08011	1.0
125.02393	0.8
125.09689	1.1
128.06229	4.1
129.07016	15.3
130.07823	5.5
131.04951	1.7
131.08575	29.3
132.05679	0.9
133.06500	3.3
133.10127	8.0
135.08092	5.6
135.11699	1.6
137.09593	1.0
141.07033	2.2
142.07797	2.5
143.08588	13.6
144.09329	2.4
145.06508	2.5
145.10136	39.7
146.07405	0.9
147.08052	17.8
147.11714	3.4
149.09677	1.8
155.08559	1.4
157.06541	1.2
157.10143	12.1
159.08093	8.7
159.11702	12.6
161.09648	7.3
161.13274	2.3
163.11153	1.4
169.10173	2.8
171.08154	1.8
171.11728	7.6
173.09659	3.4
173.13271	3.8
175.11186	4.7
175.14915	1.3
181.10139	2.6
183.11726	2.0
185.09656	2.2
185.13275	2.6
187.11180	1.3
189.12695	1.0
193.12257	1.3
195.11786	2.4
197.13284	1.1
199.11179	3.6
199.14804	1.5
201.12767	1.5
209.09628	1.8
211.14847	1.1
213.16560	0.9
217.12146	0.9
217.15916	2.5
227.17998	4.0
237.16330	3.8
239.32544	0.8
245.19058	3.4
255.17393	7.6
273.06885	1.9
273.18524	100.0
273.25482	4.8
274.19131	1.8
278.45279	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	273.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83587	3.2
53.03942	8.3
55.01877	32.7
55.05511	61.1
57.03464	4.0
59.05007	9.9
65.03947	3.4
67.05502	40.7
69.03446	9.3
69.07067	34.4
70.06599	9.2
71.05001	36.3
71.58919	6.2
72.08163	9.1
72.93792	5.4
79.05499	50.7
81.03426	10.3
81.07061	47.9
83.04980	43.1
83.08631	22.2
84.04483	5.0
84.08144	12.8
85.02917	5.4
85.06558	18.3
86.06097	4.5
86.09701	7.7
87.04465	11.3
90.10669	4.2
90.94844	7.7
91.05492	31.6
93.03459	3.9
93.07040	45.9
95.04971	10.9
95.08614	24.2
97.02862	5.0
97.06538	34.6
99.04458	3.9
101.06020	55.9
105.07069	18.4
107.04968	14.7
107.08612	25.4
109.06538	11.9
109.10168	12.9
110.04795	21.9
111.04462	36.8
111.05573	13.2
111.08077	14.2
113.05984	7.1
113.09636	23.3
115.05489	4.0
117.07018	17.7
119.08594	11.4
121.06518	48.5
123.08111	6.1
125.06030	13.4
125.07114	85.1
125.09620	67.5
129.05513	29.8
129.07019	8.2
129.09106	5.8
131.05997	3.6
131.08568	37.8
133.10175	8.6
135.08015	21.6
137.05977	4.4
139.07567	14.9
141.07037	5.5
143.07059	5.6
145.10143	16.4
147.06560	10.1
149.05981	11.3
149.09665	4.8
152.59625	3.8
153.09085	7.3
155.08510	4.8
157.10115	9.6
158.06036	7.2
158.93797	11.0
159.11667	5.1
163.07561	26.6
167.07095	8.6
170.06015	3.9
170.07600	3.5
173.13264	67.4
175.11198	4.7
176.94836	16.4
177.09177	5.5
181.08623	32.9
183.11745	10.6
186.17328	4.3
191.11795	5.1
191.14375	16.6
194.95900	15.7
198.67459	4.1
201.12726	33.4
202.06140	13.9
208.95416	4.3
209.15303	5.1
219.13814	44.4
223.14410	34.2
227.97215	15.3
228.04103	5.0
232.97740	10.3
237.14841	100.0
241.15521	12.8
246.05171	10.8
250.98759	9.1
255.17307	22.2
273.03680	4.1
273.06195	18.7
273.08777	4.1
273.12595	18.9
273.18402	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	273.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37845	4.6
53.03947	10.0
54.34330	4.4
55.01870	19.6
55.05513	71.9
57.03438	5.9
59.04991	9.1
67.05505	46.7
69.03428	11.0
69.07073	33.6
70.06601	14.9
71.04993	34.3
71.57766	6.3
72.08144	11.0
79.05499	55.5
81.03407	11.7
81.07054	42.1
83.04986	49.3
83.08628	16.7
84.08134	16.7
85.02910	11.1
85.06553	18.6
86.09718	11.8
87.04459	8.4
91.05486	34.5
93.07048	60.6
95.04963	13.5
95.08608	20.2
97.02879	7.5
97.06528	31.1
98.97562	4.8
101.06017	73.0
105.07033	18.4
107.04944	8.7
107.08628	23.6
109.06546	14.1
109.10155	10.9
111.04463	46.6
111.08076	24.1
112.08757	5.2
115.03953	5.1
116.98638	5.3
117.07009	23.0
119.08592	15.4
121.02879	8.5
121.06504	67.9
125.05974	14.1
125.09616	42.5
127.07571	8.7
127.96550	4.6
129.05482	30.7
129.07001	8.2
129.09123	15.1
130.08640	5.3
131.08562	41.1
135.08051	32.3
139.07538	11.4
140.07932	5.6
145.10103	13.3
147.06543	14.4
149.05988	9.4
149.09581	4.7
151.07607	4.9
153.06987	7.8
153.09149	5.0
159.11736	11.6
162.56601	4.3
163.07532	32.7
167.06989	5.0
173.13271	89.3
175.11105	8.8
176.94838	11.2
181.06509	7.7
181.08607	41.8
183.11684	15.1
191.14342	20.7
194.95923	11.1
201.12762	34.9
209.15434	4.8
213.09132	8.4
217.08556	8.6
219.13811	55.8
230.05785	9.0
237.14844	100.0
241.08559	5.7
245.08076	8.9
255.15982	15.9
273.04089	7.0
273.07452	26.2
273.12341	12.1
273.15128	6.5
273.17981	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	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69973	1.3
55.01867	3.0
55.05503	1.8
57.07106	1.4
67.01889	1.4
67.05496	4.5
68.99781	1.9
69.03450	1.7
69.07063	3.0
71.03883	3.0
71.04221	1.7
75.60130	1.3
79.05492	4.7
81.03401	3.0
81.07069	12.9
83.05017	2.2
83.08611	1.4
91.05481	3.2
93.07061	11.7
95.04968	3.2
95.08627	7.0
97.06508	3.5
97.10125	1.5
99.89063	1.3
105.07037	6.5
105.45094	1.6
107.04957	1.6
107.08587	5.6
109.02959	1.4
109.06508	3.9
109.10155	3.3
117.07014	1.8
119.04977	6.9
119.08563	4.2
121.06497	10.0
121.10135	2.1
129.07048	1.9
131.08553	2.7
133.10130	4.0
135.04408	1.9
135.08083	2.1
139.07547	1.6
141.07033	2.0
145.02826	1.8
145.10104	1.8
147.11679	8.2
153.01840	11.3
157.08647	1.8
157.10036	3.0
161.13254	2.4
163.03906	1.9
163.14830	1.8
165.12714	3.9
171.11784	3.1
175.11168	4.2
183.08037	2.0
189.12769	4.4
199.11293	3.4
207.13863	2.5
213.12704	1.7
217.12227	14.8
225.05646	1.9
235.13298	9.5
253.14320	2.8
271.06024	100.0
271.17212	2.7
271.20184	2.2
272.06201	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	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01872	0.5
58.30244	0.3
65.03931	0.4
67.01861	2.7
67.05505	0.7
68.99783	2.0
69.03429	2.1
69.07024	0.3
79.05488	0.5
81.03437	0.6
81.07033	0.5
83.04991	0.4
85.02947	0.3
91.05483	7.3
93.07040	0.8
95.04974	2.1
95.08622	0.6
97.02912	1.1
98.59651	0.3
103.78471	0.3
105.07021	0.9
107.04962	2.3
107.08600	0.6
111.00814	0.3
111.04375	0.5
119.04951	17.1
119.08580	0.6
121.02910	0.5
121.06528	1.2
121.10098	0.4
123.04446	3.5
125.02351	0.4
125.42664	0.3
128.10706	1.0
131.08563	0.3
133.10104	0.5
135.11644	0.3
141.06987	0.3
143.08638	0.4
145.10155	0.4
147.04413	43.2
151.03935	0.8
153.01831	100.0
154.02170	0.6
157.06543	0.4
157.10202	0.4
159.11748	0.6
161.05969	0.5
163.07390	0.3
171.02905	3.8
179.03397	0.9
189.05461	0.9
197.48761	0.3
199.11226	0.3
207.06696	0.4
231.06548	0.8
255.06514	0.8
256.06180	0.3
259.73343	0.3
273.07574	75.1
273.18472	1.0
274.07916	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	271.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01879	6.4
55.05515	11.7
57.03437	5.4
57.07071	1.7
59.35921	0.8
61.02927	7.4
61.90091	0.8
65.03938	1.7
67.01852	2.6
67.05507	31.2
68.99797	1.7
69.03129	1.0
69.03441	11.0
69.07085	5.4
69.77467	0.8
70.06572	1.3
71.01354	2.0
71.04979	3.1
71.10602	1.8
73.02905	3.7
75.17688	1.1
78.59769	1.0
79.05492	16.0
81.03423	17.4
81.07063	17.0
83.04989	7.5
83.08620	2.9
85.02909	10.0
85.06551	10.6
87.04435	1.0
91.05483	17.7
93.03404	1.0
93.07049	14.9
95.04971	9.5
95.08614	7.4
97.02911	8.7
97.06522	2.7
98.21439	0.9
99.04452	1.4
99.08089	2.4
101.02383	1.0
101.06016	1.0
103.03933	2.7
105.07038	11.7
107.04961	6.0
107.08605	9.0
109.02895	1.8
109.06533	6.4
109.10177	13.1
111.04430	3.4
111.08070	4.0
113.06033	1.0
115.03950	1.3
115.05461	1.5
117.07049	4.7
119.04955	7.5
119.08580	9.9
121.02874	2.5
121.06533	4.9
121.10143	3.9
123.04435	2.6
123.08055	3.2
123.11715	2.0
125.09634	3.2
127.03912	3.9
128.06204	1.3
129.05499	1.7
129.06985	5.1
131.08629	5.6
133.06512	5.5
133.10135	6.2
135.08023	3.8
135.11681	2.0
137.05981	2.8
137.09622	17.1
139.11192	1.9
141.06984	1.7
143.08548	2.8
145.02843	1.6
145.04973	1.7
145.06528	1.3
145.10132	4.3
147.08054	2.5
147.11766	1.9
149.09624	4.5
151.07607	1.6
151.11169	6.4
153.01833	12.0
155.07111	1.5
155.08609	1.0
157.10127	2.5
159.08055	2.1
159.11710	1.2
161.05898	1.0
161.09645	2.9
161.13249	1.0
163.03891	1.4
163.06192	1.0
163.11194	3.4
165.07048	1.4
165.11131	0.9
171.02875	1.7
171.11729	1.3
175.11203	5.4
177.09126	1.9
179.07016	1.4
179.10670	1.8
181.12224	1.6
189.12810	2.0
193.12164	2.6
205.12273	1.6
217.12300	3.8
235.13240	5.4
253.14395	9.6
271.06030	100.0
271.15353	7.1
272.06329	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	271.1442
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.90781	0.6
55.05502	1.6
60.71600	0.6
61.59407	0.6
67.01859	1.5
67.05491	2.1
68.99792	1.3
69.07068	1.9
71.08593	1.0
71.59861	0.6
71.60278	0.8
71.77666	0.8
73.47791	0.7
79.05488	2.7
81.03410	0.9
81.07039	2.8
91.05476	2.9
93.07037	2.8
94.06552	1.6
95.04928	1.1
95.08600	2.3
96.08154	2.2
105.07021	3.2
106.06552	1.7
107.08591	2.8
108.08110	8.6
109.10152	2.8
118.06478	0.8
119.04942	4.1
119.07388	0.7
119.08591	2.5
120.08108	0.8
121.02869	1.4
121.10181	1.5
122.09666	1.6
123.11747	1.5
131.08543	1.8
133.10149	1.6
134.05984	1.8
135.11748	1.0
136.07578	1.4
141.06979	1.1
142.07753	0.8
143.08575	1.3
144.08104	1.9
145.02824	1.3
145.10141	2.3
146.09673	0.8
147.11711	1.2
149.13174	0.9
153.01857	8.6
154.06450	0.9
155.08545	1.3
156.08124	0.8
156.09300	1.4
157.10112	2.6
159.09207	0.9
159.11707	0.9
161.13235	1.3
165.06975	1.0
168.08095	5.2
169.08923	4.2
169.10194	1.3
170.09616	1.3
171.02899	1.2
171.09177	1.1
171.11649	1.2
172.07547	2.5
172.11203	0.7
173.13248	1.4
174.09177	1.7
175.14793	0.9
181.10161	1.7
182.09692	1.9
183.10405	8.5
183.11771	1.1
184.07550	1.1
185.10732	1.7
186.09087	1.2
186.11554	1.4
187.14903	1.2
196.07570	3.5
197.08386	7.4
198.09210	1.3
198.12785	8.8
199.08679	7.6
199.12294	1.4
200.10928	0.9
200.13094	1.0
201.16426	1.2
208.11284	1.6
210.09181	2.0
211.08067	1.2
211.09941	13.9
211.11729	0.6
211.14796	1.2
212.09468	2.1
213.10254	12.1
214.11006	4.0
215.15416	3.4
215.17873	1.1
225.13742	1.0
225.16393	1.0
226.12291	31.7
227.08403	1.4
227.11787	21.3
228.12563	28.2
241.09767	2.1
241.13380	1.4
242.10541	1.5
243.12340	1.0
243.14954	24.5
253.13394	5.0
254.11720	3.1
255.11316	26.7
256.12091	33.8
269.12772	1.0
271.06033	79.7
271.09344	2.7
271.14423	100.0
271.20645	4.4
271.24026	6.3
272.06461	2.4
272.14789	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	271.0967
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.03924	0.6
55.05504	0.9
55.83665	0.3
57.03432	0.5
57.07083	0.4
65.03913	0.4
67.01871	3.6
67.05491	0.9
68.02666	0.3
68.99786	0.9
69.03445	0.3
69.07049	0.6
69.48589	1.7
69.49015	0.7
79.01865	0.6
79.05496	3.0
81.07058	1.4
83.05019	0.5
91.05488	3.3
93.07041	1.2
93.54477	0.3
95.04976	0.8
95.08593	1.3
96.04370	0.4
99.04475	0.8
102.85045	0.3
103.05476	29.6
104.10738	0.8
105.03380	0.9
105.07053	1.7
107.04947	1.9
107.08611	0.5
109.06493	0.6
109.10155	0.7
111.04459	2.4
119.04942	0.8
119.08598	0.8
121.10162	0.8
124.01528	0.5
131.04936	55.1
133.10121	0.8
137.06012	1.9
139.03934	0.4
143.08554	0.5
145.10207	0.7
147.11673	0.7
149.54878	0.4
152.01053	0.5
153.01857	1.6
157.10149	0.5
158.55397	0.4
159.11714	0.9
161.13257	1.9
165.05486	2.5
165.06799	0.7
167.03410	93.9
168.03674	0.5
173.05998	2.9
181.06496	0.4
185.04457	1.7
193.04984	0.9
201.16464	0.4
211.07643	0.4
211.14844	0.4
213.16460	0.4
216.66440	0.4
228.07010	0.5
229.08603	1.1
253.19490	0.4
271.06110	15.1
271.09644	100.0
271.20605	2.8
271.24158	1.5
272.09973	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	271.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	42.1
60.21093	1.3
61.02909	1.4
69.03441	2.8
70.06594	2.4
71.95258	2.7
72.96027	2.3
73.02919	2.6
74.97607	1.4
77.87608	1.3
80.65582	1.3
84.96038	2.8
85.02898	6.4
86.09714	5.7
92.05040	2.2
94.06718	1.3
97.02888	2.8
98.09560	1.4
98.97592	100.0
102.51924	1.3
104.34560	1.6
108.22728	1.3
109.02858	1.7
110.06044	7.3
110.97617	1.9
111.49334	1.4
112.99190	2.2
116.00195	1.7
116.98628	52.3
119.01904	2.0
128.41690	1.3
128.98643	2.4
130.93254	2.5
132.96361	1.5
134.99651	17.0
138.42651	1.4
140.03918	2.1
140.98616	4.8
142.01770	2.1
142.05458	3.3
143.00177	2.1
145.03510	1.3
145.04961	1.9
148.02721	1.3
149.14703	1.3
153.00801	1.4
158.01300	2.2
158.04903	5.4
158.99706	11.4
160.06470	7.0
161.01239	1.4
170.04926	2.9
171.03239	1.4
174.50096	1.2
174.99162	2.1
177.00752	7.2
178.07538	2.6
188.05978	3.9
189.00638	1.4
189.04340	10.5
190.95409	2.9
191.03943	1.5
194.09279	2.9
200.04366	1.5
201.00600	2.0
205.00359	1.5
206.06969	7.6
207.05420	6.1
208.96397	1.8
216.85165	1.3
221.05035	1.8
224.08127	7.7
230.06998	31.9
231.05351	1.6
248.08095	58.5
266.09158	3.5
271.06381	1.9
271.09485	2.1
272.07941	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	271.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
65.03938	0.2
67.01871	2.0
67.05499	0.2
68.99790	1.2
69.03410	0.1
69.07055	0.2
69.51695	0.9
79.05496	0.3
79.36812	0.1
81.03410	0.2
81.07032	0.4
88.59158	0.1
89.67617	0.1
91.05492	1.6
93.07040	0.3
95.04896	0.1
95.08611	0.2
97.02886	0.1
105.07038	0.3
107.08614	0.3
109.02870	0.1
109.06452	0.2
111.00800	0.3
116.34250	0.1
117.07055	0.2
119.04090	0.3
119.04943	5.4
119.08573	0.2
121.02870	1.8
121.10117	0.2
125.02312	0.2
129.01822	0.5
131.04997	0.2
141.06989	0.6
145.02847	2.0
145.06465	0.1
153.01836	12.2
157.06496	0.2
163.03879	1.2
165.06984	0.1
169.06506	0.3
171.02901	1.5
175.07495	0.2
175.14812	0.2
185.05954	0.2
187.03935	0.3
197.06042	0.5
203.07056	0.3
215.06958	0.2
225.05437	0.9
225.16553	0.1
226.06630	0.1
229.05008	0.4
243.06593	0.8
247.05968	0.3
253.05052	0.2
256.84021	0.1
271.06015	100.0
272.06311	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	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.48102	0.1
62.14417	0.1
64.67328	0.1
64.87796	0.1
65.03928	0.2
67.01870	1.5
68.99787	1.0
69.48653	0.7
80.98686	0.1
91.05488	1.7
95.04992	0.1
97.02938	0.1
105.07009	0.1
109.02908	0.1
111.00826	0.1
116.70959	0.1
119.04952	5.3
121.02879	1.8
125.02392	0.1
127.03941	0.1
129.01843	0.4
131.04942	0.1
141.07004	0.2
145.02843	1.6
153.01837	11.5
157.06456	0.1
163.03937	0.9
169.06529	0.4
171.02910	1.1
187.03970	0.4
197.06010	0.3
202.06302	0.1
203.07025	0.1
225.05490	0.6
229.04974	0.7
243.06512	0.9
247.05945	0.2
253.05045	0.1
271.06024	100.0
272.06409	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	271.0603
Annotation	Apigenin
Peak:m/z	Relative Intensity
62.41421	0.1
65.03945	0.1
66.17406	0.1
67.01870	1.6
67.34659	0.1
68.99789	0.9
69.03424	0.1
69.58268	0.4
81.03419	0.1
91.05487	1.6
95.04943	0.1
97.02888	0.1
111.00808	0.3
115.94348	0.1
119.04948	5.0
121.02878	1.6
125.02324	0.1
125.61523	0.1
129.01813	0.3
131.04907	0.1
141.06979	0.1
145.02864	1.5
145.06500	0.1
153.01837	11.2
155.04916	0.1
156.38077	0.1
163.03908	1.0
169.06483	0.2
171.02893	1.0
173.05954	0.1
174.15791	0.1
185.05988	0.1
187.02412	0.1
187.03847	0.4
193.88519	0.1
197.05980	0.3
202.06296	0.1
203.07079	0.3
211.03870	0.1
212.04100	0.1
225.05441	0.5
229.04987	0.5
243.06548	0.9
247.05983	0.3
253.04996	0.2
270.05188	0.1
271.06018	100.0
272.06348	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	271.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52493	0.1
54.18131	0.1
61.37566	0.1
65.03932	0.1
67.01524	0.1
67.01865	1.7
67.40907	0.1
68.99792	1.3
69.85801	0.5
91.05482	1.7
98.06573	0.1
100.21584	0.1
109.02822	0.1
111.00793	0.2
119.04948	5.5
121.02872	1.7
125.02367	0.2
125.82397	0.1
127.03864	0.1
129.01833	0.2
131.04930	0.2
133.31494	0.1
141.06999	0.3
145.02837	1.8
153.01831	11.6
158.90262	0.1
163.03905	1.1
165.51250	0.1
169.06482	0.2
171.02928	0.9
173.05971	0.2
177.56403	0.1
187.03922	0.4
197.06009	0.3
203.07069	0.1
211.03899	0.1
225.05441	0.6
229.05014	0.7
243.06450	1.0
247.06041	0.2
253.05029	0.2
271.06009	100.0
272.06308	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	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.60200	0.1
53.97574	0.1
65.03938	0.1
67.01863	2.0
68.99789	1.2
69.00152	0.1
69.03420	0.1
69.77277	0.4
80.46587	0.1
81.03430	0.1
91.04900	0.1
91.05479	1.8
97.02892	0.1
105.07059	0.1
108.47807	0.1
109.02880	0.1
111.00875	0.1
119.04946	5.5
121.02876	1.8
121.03786	0.0
125.02327	0.1
129.01825	0.3
131.04889	0.2
141.06995	0.2
145.02841	1.7
145.06578	0.1
147.04445	0.1
153.01830	11.7
154.02190	0.1
155.04909	0.1
162.57738	0.1
163.03903	1.0
168.05690	0.1
169.06474	0.2
171.02892	1.0
182.02547	0.1
187.03937	0.3
197.06036	0.4
199.97366	0.1
201.05429	0.1
202.06255	0.1
203.07057	0.3
211.03929	0.2
211.07550	0.1
221.08414	0.1
225.05534	0.7
229.04933	0.5
242.05870	0.1
243.06552	0.8
247.06032	0.2
253.05074	0.1
270.04999	0.1
271.06009	100.0
272.06375	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	270.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	11.5
56.96558	32.3
57.44477	10.2
59.05005	19.4
61.02922	16.2
64.98187	10.0
67.05502	12.3
69.03433	24.2
70.06590	40.4
70.13725	35.5
70.40824	10.4
71.04973	12.3
72.08159	100.0
73.02909	11.7
73.06555	43.3
75.04510	11.1
81.03420	19.7
81.07057	11.3
84.08140	36.8
85.02908	31.0
86.09724	12.8
87.04467	33.3
97.02893	24.9
98.97598	24.1
102.97074	11.4
103.03918	13.5
107.04987	10.0
109.02883	14.3
110.07119	9.9
112.07640	10.8
123.04428	11.8
127.03895	41.3
136.06163	16.6
137.06061	12.4
153.05537	13.0
161.04520	45.9
177.00702	14.0
181.70659	9.7
182.99648	10.4
201.00735	16.5
217.03407	85.5
219.01746	13.7
232.04854	10.9
235.04739	15.4
238.10489	10.0
250.13278	11.4
252.88977	10.9
253.15517	37.0
270.09802	23.0
270.14734	12.9
270.18076	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	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.31775	0.1
67.01873	2.1
68.99799	1.6
69.56425	0.8
81.03416	0.2
89.66836	0.1
89.84004	0.1
91.05481	1.6
95.05018	0.1
111.00797	0.3
119.04948	4.8
119.83737	0.1
121.02878	2.2
125.02381	0.2
129.01807	0.4
141.06970	0.3
145.02849	2.0
145.06500	0.1
153.01836	12.9
163.03925	1.4
169.06454	0.4
171.02904	1.5
173.05923	0.2
187.03929	0.3
197.06000	0.4
198.14902	0.2
202.06290	0.1
203.07040	0.5
223.82610	0.1
225.05487	0.9
229.04962	0.6
243.06525	0.7
247.06003	0.3
253.04927	0.2
266.11844	0.1
271.06018	100.0
272.06369	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	269.0811
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
53.65804	0.2
55.05505	0.5
57.03435	0.7
57.07068	0.6
61.17569	0.2
67.05511	1.3
69.07055	0.8
69.32841	2.0
71.08643	0.4
77.56208	0.2
77.91734	0.2
79.05488	0.9
81.07064	2.1
83.08613	0.7
84.12219	0.2
85.06540	0.3
87.66931	0.2
91.05477	0.6
93.07063	1.2
94.20630	0.2
95.04947	0.3
95.08607	1.0
97.06513	0.5
101.90749	0.2
103.05467	0.7
105.03427	0.6
105.07006	0.4
107.08607	0.8
109.10160	0.5
115.05468	0.2
117.06997	0.3
119.08600	0.4
121.10146	0.7
123.11742	0.3
124.01582	1.0
129.03375	1.0
131.08556	0.4
133.10107	0.5
135.11729	0.3
145.10187	0.4
149.09570	0.3
149.13257	0.7
152.06223	0.3
157.10078	0.2
159.11732	0.3
167.03401	3.2
169.06546	0.3
170.07231	0.4
171.04439	0.4
171.11649	0.3
177.12721	0.3
181.06477	0.4
185.04483	0.3
185.13260	0.2
195.11826	0.2
195.13824	0.3
197.06026	0.9
198.06795	0.3
209.05908	1.2
212.96840	0.2
213.16489	0.3
223.20607	0.3
225.05501	0.4
226.06264	20.0
238.05928	0.2
251.20265	0.3
254.05762	6.6
254.08345	0.4
269.08105	100.0
269.22696	0.8
270.08484	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	268.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
67.05495	0.9
69.03430	0.6
69.07072	28.2
70.31680	1.9
70.32010	0.5
73.06552	2.1
75.73618	0.5
77.87379	0.5
79.05468	0.6
80.05027	1.4
82.20866	0.6
86.09707	0.8
91.05431	0.8
97.53322	0.5
101.86072	0.5
105.07000	0.6
106.06563	0.7
108.04469	2.8
109.02838	1.2
109.20702	0.5
111.03183	5.3
111.04427	1.0
117.07013	0.8
120.08067	0.5
124.03962	2.4
126.05522	26.7
134.09634	0.9
138.05493	4.2
148.03995	0.9
150.12981	0.5
152.03430	0.7
154.04999	42.8
155.03400	0.8
162.09145	2.2
163.90237	0.6
166.05009	9.6
166.06308	0.9
176.61223	0.5
180.06577	2.1
191.08551	6.2
192.95218	0.6
194.08141	2.2
194.11729	5.1
208.09709	0.5
215.51448	0.5
219.08046	4.6
220.08820	0.8
222.11266	55.2
223.07762	0.6
223.11794	1.4
236.08246	0.8
240.12395	2.5
251.10672	5.4
267.92206	0.6
268.11804	100.0
269.12192	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	269.0809
Annotation	7-Hydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
51.06845	0.3
53.03944	0.6
55.01849	1.5
55.05481	1.2
55.93502	1.3
56.94313	0.4
57.03420	0.5
67.05476	1.3
67.24679	0.3
67.56239	0.4
68.69498	0.3
68.99789	0.8
69.03410	1.0
69.07043	1.1
70.06579	0.7
71.04976	0.7
71.58072	0.4
72.08147	0.5
72.93784	0.8
73.02910	0.3
75.29498	0.3
79.05474	1.6
81.03416	2.3
81.07083	1.7
83.04952	0.5
84.08124	0.8
85.02898	0.7
85.06503	0.7
86.09710	0.6
90.05905	0.3
90.94854	0.4
91.05479	1.7
93.07046	1.7
95.04958	1.1
95.08621	0.8
97.02894	0.4
97.06488	0.4
99.04450	0.5
103.05473	0.4
105.07033	1.0
107.04933	2.1
107.08590	1.0
109.02886	3.1
109.06523	1.1
110.07156	0.6
113.96380	1.4
115.05456	0.9
117.07018	0.7
119.08562	0.8
120.08116	0.7
121.10094	0.5
123.04411	0.9
123.08045	0.7
125.09624	0.8
128.06276	0.5
128.95100	0.7
131.04941	2.9
131.08534	1.5
131.97443	0.9
132.05684	0.5
133.10109	0.4
135.04402	0.4
135.08078	0.6
137.02298	0.4
137.05934	0.5
137.09622	0.7
138.75732	0.3
141.06979	0.6
143.08537	0.5
145.06517	0.5
145.10107	0.8
147.04428	2.0
149.09618	0.5
152.06230	4.1
153.07068	1.8
157.06554	0.5
159.04436	2.7
159.08037	0.8
160.05225	15.8
161.06001	2.2
161.09573	0.4
163.11276	0.6
165.07028	3.0
166.07759	1.1
167.07288	0.5
167.08609	5.8
168.05682	0.5
169.06509	1.0
171.08073	0.5
173.06038	0.7
173.09663	0.4
176.06201	6.3
177.07004	24.7
178.07634	0.7
179.08540	0.6
181.06491	13.2
184.05179	0.5
185.62473	0.4
187.03893	0.6
191.10677	0.4
193.06541	1.1
194.07216	0.7
195.08075	10.5
195.50677	0.5
197.05988	1.4
198.06650	0.6
199.07570	2.6
200.84560	0.4
204.51181	0.8
205.06500	48.0
206.07121	1.4
208.05196	0.4
209.06137	0.5
209.11703	0.5
210.06723	0.4
213.05501	0.8
213.09099	0.9
213.51700	0.8
221.06042	1.8
222.06596	1.4
223.07568	100.0
224.07936	1.3
226.06265	1.5
227.07018	1.0
233.05998	16.8
233.08365	0.8
234.06767	4.1
237.05496	1.1
240.04106	0.6
241.04912	0.5
241.08662	3.6
250.06216	1.5
251.07062	89.1
252.07706	2.3
268.07196	0.6
269.08093	92.7
270.08496	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	268.1181
Annotation	Mortivinacin B
Peak:m/z	Relative Intensity
55.05492	0.7
67.05495	0.9
69.03430	0.6
69.07072	28.2
70.31680	1.9
70.32010	0.5
73.06552	2.1
75.73618	0.5
77.87379	0.5
79.05468	0.6
80.05027	1.4
82.20866	0.6
86.09707	0.8
91.05431	0.8
97.53322	0.5
101.86072	0.5
105.07000	0.6
106.06563	0.7
108.04469	2.8
109.02838	1.2
109.20702	0.5
111.03183	5.3
111.04427	1.0
117.07013	0.8
120.08067	0.5
124.03962	2.4
126.05522	26.7
134.09634	0.9
138.05493	4.2
148.03995	0.9
150.12981	0.5
152.03430	0.7
154.04999	42.8
155.03400	0.8
162.09145	2.2
163.90237	0.6
166.05009	9.6
166.06308	0.9
176.61223	0.5
180.06577	2.1
191.08551	6.2
192.95218	0.6
194.08141	2.2
194.11729	5.1
208.09709	0.5
215.51448	0.5
219.08046	4.6
220.08820	0.8
222.11266	55.2
223.07762	0.6
223.11794	1.4
236.08246	0.8
240.12395	2.5
251.10672	5.4
267.92206	0.6
268.11804	100.0
269.12192	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	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01863	0.2
57.03437	0.4
58.86279	0.2
61.02908	0.2
61.95203	0.2
69.03452	0.3
69.45955	0.2
69.93732	0.6
73.02940	0.2
85.02915	0.7
94.04008	0.5
98.21496	0.2
110.57485	0.2
119.03556	1.0
136.06198	100.0
137.04623	0.4
137.06610	0.4
229.00264	0.3
268.10410	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	267.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80735	0.2
53.03942	0.5
53.93790	0.2
55.01867	0.5
55.05498	0.4
56.96564	3.2
57.03428	0.2
58.51100	0.2
58.96125	0.3
61.02929	0.4
65.03923	0.3
67.05504	3.1
69.03419	0.8
70.06595	3.0
70.97742	0.5
71.04981	0.2
72.08154	0.5
73.02910	0.4
79.05489	0.7
81.03408	0.8
81.07063	0.5
81.98917	0.2
84.08135	0.7
85.02902	1.3
86.09720	0.3
86.96654	0.2
88.27097	0.2
91.05479	0.4
94.06570	9.6
95.04976	0.4
95.08611	0.3
97.02866	1.0
98.97590	3.2
99.04443	0.3
100.03985	1.0
101.02382	0.3
106.06554	3.3
107.04942	0.4
109.02881	0.4
111.76225	0.3
112.08735	0.4
116.98618	1.8
118.05013	0.9
119.01910	0.7
120.08128	0.2
122.06025	7.0
122.07123	1.2
123.04490	0.5
124.99206	0.2
127.03928	0.4
128.98625	0.5
134.99677	1.5
136.06189	3.1
145.04970	0.3
146.04268	0.3
146.99686	0.3
148.03899	0.2
149.01149	0.2
150.05507	100.0
151.05821	0.3
155.04622	0.2
158.99724	0.2
162.05515	0.3
167.08110	0.3
168.06561	2.9
170.99675	0.3
177.00714	0.7
178.01128	0.5
182.99704	0.3
187.10869	0.2
189.00772	0.3
190.95494	0.3
195.04196	0.3
201.00706	0.7
211.02759	0.4
213.00780	0.3
219.01782	0.8
220.02156	0.6
237.02847	0.4
243.01804	0.4
244.02255	0.3
250.65060	0.4
251.04019	0.3
261.02890	0.6
262.03143	1.5
267.06982	0.2
267.09753	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	267.0652
Annotation	Demethylaristofolin E
Peak:m/z	Relative Intensity
50.26376	0.2
53.03929	0.2
53.42444	0.2
55.01873	0.8
55.05509	0.3
67.05512	0.4
69.03419	0.4
70.06580	0.5
71.04971	0.3
71.59207	0.3
79.05477	0.6
81.03423	0.9
81.07056	0.6
82.02926	0.1
83.04988	0.3
84.08109	0.2
85.02913	0.2
85.06512	0.3
85.35606	0.2
91.05469	0.5
93.07025	0.6
95.04956	0.5
95.08610	0.3
97.02874	0.3
97.06519	0.3
99.04443	0.2
103.05439	0.2
105.03364	0.5
105.07034	2.0
105.77613	0.2
106.41518	0.1
107.04934	0.3
107.08618	0.4
109.02879	1.6
111.04401	0.2
115.05412	0.3
117.05446	0.2
117.07031	0.2
119.08583	0.3
122.09654	0.4
123.08102	0.3
125.05976	0.3
128.06279	0.2
129.01840	0.4
129.06976	0.6
131.08577	0.4
133.06519	0.2
133.10129	0.3
135.08064	0.5
137.05893	0.1
137.09605	0.2
139.05411	0.2
141.06982	0.8
143.08513	0.3
145.06535	0.2
147.04364	0.2
147.08061	0.3
149.05956	0.3
149.09595	0.3
151.05391	0.4
151.07564	0.2
152.06168	0.3
153.06995	0.3
155.04871	0.3
155.08615	0.4
157.06529	0.2
161.05956	0.2
161.09607	0.3
165.07004	18.3
166.07375	0.2
167.08479	0.2
168.05771	0.2
168.84201	0.2
169.06487	0.6
174.04773	0.2
175.05453	0.6
175.07567	0.2
175.11179	0.2
176.06224	0.7
177.05531	0.4
177.06984	1.0
179.04935	0.6
179.08937	0.3
179.10690	0.2
183.08057	0.5
184.05157	0.2
189.09161	0.3
192.05763	1.0
193.06488	12.7
194.07153	0.2
195.08003	0.2
197.05991	1.8
203.04909	0.7
203.11911	0.3
204.05605	0.2
205.06487	0.7
207.04387	0.2
207.08397	0.4
207.10115	0.2
210.06760	0.4
211.07558	5.0
220.05225	0.3
221.05975	100.0
222.06313	1.7
223.07513	0.6
225.09160	0.5
231.04251	0.2
231.10217	0.2
232.09735	0.3
238.06348	0.3
239.07034	13.3
240.07451	0.3
249.05467	60.0
249.17030	0.5
250.06104	1.6
250.10701	0.2
266.05573	0.4
267.06516	54.7
268.07126	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	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.05521	0.5
57.03458	0.3
59.04992	0.6
61.02926	1.6
67.05511	0.5
69.03434	0.7
70.06596	1.2
71.05001	1.4
71.58604	0.4
79.05506	1.5
79.55944	0.3
81.03419	3.5
81.07058	3.4
87.04488	0.3
87.08119	0.5
91.05484	0.7
93.07025	0.4
94.04050	1.6
94.07414	0.4
97.02898	0.6
105.07055	0.5
106.06531	0.5
107.08598	0.5
108.08938	0.4
109.02887	8.8
112.07638	0.5
113.09642	0.3
119.03569	2.4
121.02867	0.6
122.03176	0.6
122.10465	0.6
128.04796	0.3
134.06041	0.4
136.06189	100.0
137.04575	1.5
146.06039	0.9
204.13831	0.5
234.13501	18.6
240.06783	0.3
266.16077	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.65800	4.1
55.05511	16.7
57.07079	7.1
67.05511	38.0
69.07072	29.6
71.04996	10.0
71.19825	9.1
75.94669	4.1
79.05489	21.5
81.07059	84.0
83.08626	12.5
85.06574	7.5
91.05467	14.8
92.01888	4.9
93.07068	43.4
94.07402	4.6
95.08050	7.1
95.08616	100.0
96.56019	4.2
97.10179	14.0
99.08092	6.6
105.07033	28.3
107.08598	49.6
109.10166	61.6
111.08112	4.1
113.09655	8.1
119.08619	25.9
121.10152	68.2
123.11700	41.5
125.09598	6.2
133.10149	23.4
135.11717	26.8
137.13292	22.2
139.11166	6.3
143.08618	4.8
147.11674	18.1
149.13239	34.5
161.13246	15.9
163.14848	22.7
165.12741	4.8
175.14864	21.0
189.16397	19.3
190.12003	4.6
203.17935	6.2
205.19588	16.5
207.11749	5.9
235.11581	10.0
245.22633	56.1
263.07123	9.7
263.23743	59.6
263.56851	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	265.1549
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
57.03441	0.4
68.89319	0.3
69.03438	0.9
70.97578	0.4
71.22766	0.4
71.23115	0.4
72.07755	0.4
72.08162	7.9
81.03412	0.5
85.02914	0.8
89.03915	4.8
89.10806	5.4
91.05510	0.6
97.02908	0.5
98.06067	0.8
103.05471	0.4
106.04185	0.6
115.03934	1.5
115.08714	2.0
117.03389	18.4
119.04977	0.5
120.08136	0.7
121.02875	1.8
133.04961	0.5
134.03664	1.6
135.04434	1.0
145.02855	59.2
147.04384	0.6
149.05980	7.6
160.76331	0.4
161.04486	0.5
162.03130	0.4
163.03966	0.7
163.54781	0.4
177.05479	100.0
178.05844	0.6
186.05589	0.5
247.10863	0.7
248.12856	7.2
265.07333	0.6
265.15482	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	266.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03947	0.3
69.03441	0.3
69.52164	0.2
71.58787	0.2
77.03927	0.4
79.05514	0.2
81.03425	0.8
82.03751	0.4
85.02951	0.3
87.70504	0.2
91.05482	0.7
93.53436	0.2
95.04974	0.6
97.02904	0.2
103.05473	34.7
104.05764	0.2
107.04958	0.6
108.04463	0.3
109.02881	0.3
110.03194	0.2
117.07014	0.2
120.08111	0.6
121.02861	2.2
122.03188	0.8
126.05434	0.2
129.07074	0.4
131.04933	100.0
132.05255	0.7
136.07556	0.7
144.78392	0.2
145.06470	1.5
146.09650	0.6
155.06090	0.2
162.05379	0.3
206.06288	0.2
221.06236	0.2
266.07562	0.5
266.11765	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	263.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01885	1.2
55.05514	14.2
57.03434	2.6
57.07077	11.4
63.08896	1.0
65.03949	2.5
66.38169	1.2
67.05507	84.2
69.07072	15.1
69.91383	5.8
71.05002	2.2
71.08650	5.7
79.05494	19.7
81.07059	100.0
83.04980	1.9
83.08619	14.9
85.06540	3.5
85.10161	1.9
91.05492	15.7
93.07048	23.1
95.04963	2.2
95.08609	86.0
97.06519	6.6
97.10179	6.0
99.08088	5.2
105.07038	12.9
107.08608	13.1
109.06496	1.8
109.10159	43.1
111.08080	4.8
111.11697	1.4
112.15582	1.6
113.09640	2.5
119.08594	10.4
121.10146	15.4
123.08070	1.9
123.11721	17.4
127.11224	1.4
133.10153	15.3
135.11728	8.8
137.09605	3.5
137.13226	5.6
141.12747	1.9
143.12781	1.1
147.11708	9.9
149.13264	8.4
151.11214	1.4
151.14792	8.5
155.14328	1.4
161.13277	11.1
163.14786	8.3
165.12848	1.2
165.16377	8.6
175.14847	7.5
177.16440	2.1
179.17961	4.4
189.16403	3.4
203.18028	1.9
217.19482	1.0
235.38924	1.3
245.22667	27.9
263.23715	72.6
274.53574	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	1.9
55.05514	17.8
57.03430	2.6
57.07081	11.1
65.03930	3.0
67.05508	91.3
69.07072	19.5
69.07445	1.2
69.65580	4.7
71.04995	1.9
71.08631	6.2
79.05061	1.3
79.05498	21.2
80.71223	0.9
81.07062	100.0
82.07423	1.0
83.04971	2.5
83.08624	14.9
85.06546	3.4
85.10184	2.8
85.40740	0.8
91.05486	18.4
93.07056	26.4
95.04931	1.1
95.08613	82.3
97.06516	5.0
97.10179	7.4
99.08098	5.5
102.41978	0.9
105.07044	12.3
107.08594	14.3
109.06515	1.9
109.10162	42.5
111.08073	4.6
111.11681	1.3
113.09650	3.4
119.08582	13.0
121.10154	18.0
123.08058	2.2
123.11703	19.7
125.09646	1.6
127.11232	1.2
130.65448	1.0
131.08580	1.2
133.10143	13.5
135.11688	8.9
137.09615	1.8
137.13271	7.8
139.11104	1.2
141.12692	1.4
147.11694	9.9
149.13257	8.2
151.14830	7.9
155.14325	1.6
161.13274	12.3
163.14850	8.0
165.16399	7.9
175.14847	7.5
177.16386	2.1
179.14352	1.0
179.17953	3.9
181.16031	0.9
189.16431	3.8
196.03371	1.0
203.17938	1.6
207.11740	1.2
217.19710	1.8
220.12424	1.2
221.13284	1.5
233.13286	1.1
245.22665	25.9
248.15562	0.9
263.11099	1.1
263.14191	1.5
263.18253	5.4
263.23715	66.3
283.08731	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	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03955	2.2
53.55751	0.6
55.05517	15.9
57.03443	1.7
57.07079	11.8
65.03937	2.3
65.04231	0.6
65.70244	0.6
67.05510	88.6
69.07072	15.9
69.07447	0.6
70.77596	1.7
71.05009	2.1
71.08625	6.3
79.05497	20.9
81.07063	100.0
83.04990	1.5
83.08627	13.2
85.06546	4.5
85.10201	2.6
91.05484	16.9
93.07054	22.6
95.04981	2.5
95.08613	85.4
97.06541	7.9
97.10177	7.7
99.08099	5.4
101.01614	0.6
105.07039	12.3
107.08602	14.2
109.06536	1.9
109.10163	48.9
111.08084	5.7
111.11720	1.3
113.09659	3.2
119.08592	11.8
121.10149	17.0
123.08092	2.5
123.11716	18.5
125.09644	0.9
127.11195	1.9
131.08524	0.8
133.10144	15.0
135.11699	9.5
137.09634	2.7
137.13261	7.0
139.11180	0.8
141.12749	1.4
147.11694	10.1
149.13280	8.8
151.11278	1.3
151.14824	9.1
151.73833	0.6
155.14320	1.1
161.13268	12.3
163.14819	6.6
165.16411	9.0
167.14258	1.1
175.14818	5.9
177.16385	1.6
179.17931	4.0
181.15852	1.4
189.16408	4.2
196.61028	0.6
203.17970	1.7
206.97684	0.7
207.17456	0.9
217.19518	1.6
219.21054	1.0
245.22664	30.3
247.11667	1.3
248.12398	1.1
263.14749	9.8
263.23721	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33523	0.5
66.26136	0.6
69.03436	0.7
69.89717	2.1
69.90135	1.3
82.99846	2.3
87.43928	0.6
97.02870	1.2
98.97585	1.3
101.00883	25.3
104.41521	0.6
109.02920	0.7
112.89614	4.5
113.00874	7.3
114.89368	3.3
119.01927	32.6
131.01920	19.3
137.02997	2.3
143.01907	51.2
145.03467	2.2
149.02965	1.8
155.01898	13.5
157.03519	1.3
161.02968	100.0
167.01881	1.4
173.02974	26.2
175.04494	1.2
179.03993	2.3
184.04565	2.1
185.02975	4.4
191.04019	16.7
197.03030	1.5
203.04013	21.9
215.04045	1.1
221.05055	4.2
233.05042	1.7
239.06052	1.3
245.05220	0.7
263.06100	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	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	1.5
64.56459	0.5
69.37312	4.4
70.99853	1.6
73.02897	0.7
75.21810	0.5
77.00901	2.5
81.03384	1.0
82.99832	2.8
86.99317	0.8
89.00871	1.8
98.97565	1.5
101.00882	26.8
102.96864	1.5
103.00638	0.9
105.00374	0.7
109.02880	0.8
113.00860	1.3
115.02431	1.5
116.03254	0.5
116.98626	1.1
119.01926	38.6
120.01986	1.5
121.01635	0.9
127.02418	1.6
129.00278	0.5
131.01926	3.9
133.03467	1.1
135.01332	0.6
137.02956	4.0
139.02408	3.7
142.03510	1.6
143.01903	31.8
145.03462	7.3
150.66209	0.6
155.01854	1.2
157.03477	14.3
159.01376	2.1
161.02965	67.5
162.03111	0.7
163.04504	1.1
167.01839	1.3
169.03436	0.6
173.02988	3.5
175.04575	4.0
179.00577	0.7
179.04060	0.9
184.04510	1.3
185.02950	6.6
191.03976	1.3
193.51900	0.5
194.01959	0.7
203.04007	24.4
221.01797	0.6
221.05080	12.9
234.94647	0.8
238.98367	0.9
239.06120	9.6
239.98476	7.1
240.98257	0.9
245.05154	0.6
263.06125	100.0
264.06308	1.8
281.07156	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	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08649	2.2
56.96556	2.8
66.87022	2.2
69.05945	2.2
69.78333	11.1
73.02950	2.3
75.66244	2.4
97.75902	2.3
101.00893	30.0
110.69041	2.4
113.00905	6.8
114.43809	2.7
116.61797	2.6
119.01933	39.3
131.01904	20.6
137.03000	3.8
143.01918	58.5
149.02971	4.1
155.01918	18.1
158.41153	2.3
161.02980	100.0
161.04326	4.9
173.02959	39.2
182.45770	2.4
185.03044	5.1
191.04008	18.5
203.04016	17.1
221.04999	4.3
263.01724	7.4
263.05978	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	262.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80136	0.6
53.03941	0.9
55.01878	0.7
55.05510	5.4
55.29301	0.6
56.05022	2.0
57.07080	1.3
58.02964	3.2
58.06583	2.8
58.74034	0.6
60.04481	0.8
67.05222	0.6
67.05510	7.6
68.05016	1.1
69.07066	7.1
69.73497	1.7
69.73914	2.0
70.06592	5.5
71.04980	0.9
74.06075	0.8
79.05493	5.3
80.05011	1.1
81.05781	0.9
81.07059	13.3
81.48588	0.6
82.06576	6.1
83.04983	1.2
83.08620	4.1
84.04501	1.7
84.08150	4.6
85.06509	0.9
86.06062	1.0
91.05484	5.7
93.07050	11.5
94.06602	3.4
95.04946	2.1
95.07365	0.9
95.08605	10.8
96.08142	5.0
98.09655	0.8
100.07626	1.0
105.07032	9.4
106.06519	1.0
107.04955	2.0
107.07416	0.9
107.08596	13.3
108.08118	9.0
109.06508	1.6
109.08907	1.8
109.10164	6.3
110.06037	12.7
110.09686	5.3
110.56435	0.6
111.06845	0.9
111.08044	0.9
112.07602	2.6
117.06985	1.8
119.08588	10.1
120.08099	1.2
121.06465	0.8
121.10145	7.2
122.09684	7.3
123.08053	0.6
123.11723	3.2
124.07603	6.9
124.11187	1.1
125.08392	0.7
125.09610	2.5
126.09144	1.4
129.07004	0.8
130.07806	1.2
131.08556	2.2
133.10139	5.2
134.09654	1.8
135.08095	0.6
135.10710	0.8
135.11678	4.9
136.11209	6.2
137.12001	1.3
137.13210	0.8
138.12766	1.5
143.08577	1.8
145.10123	5.4
147.11668	4.9
148.11183	0.9
149.08368	1.7
149.13263	1.3
150.12766	1.9
152.14351	2.6
157.10094	1.6
159.11674	1.7
161.08279	1.6
161.09558	0.8
161.13237	2.3
162.12791	2.9
164.14355	0.9
166.11998	0.7
171.11685	1.6
173.13228	1.1
175.14833	1.4
176.14369	0.9
180.13852	2.9
181.81262	0.7
185.13141	1.5
187.14873	3.3
188.14375	0.8
191.09357	0.9
194.15474	0.8
203.17934	3.2
204.17413	3.0
206.15413	1.2
218.19006	1.6
218.93262	0.6
227.18022	1.6
234.11255	6.1
244.20654	3.9
245.18941	1.7
262.10779	1.6
262.14301	2.0
262.21677	100.0
263.21979	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	262.2167
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
53.03932	0.5
55.01881	0.7
55.03069	0.5
55.05521	3.9
56.04775	0.4
56.05028	2.3
57.07070	1.4
58.02968	5.9
58.06604	2.8
60.04516	0.8
62.35737	0.4
67.05176	0.5
67.05511	8.8
68.05016	0.5
69.03433	0.5
69.07073	6.5
70.06596	4.8
71.04990	0.5
72.04534	0.5
72.08154	0.4
74.06089	1.6
79.05500	7.4
80.05030	0.5
80.40591	0.4
81.07066	12.7
82.06577	1.2
83.04965	0.5
83.08643	2.9
84.04474	0.7
84.08164	3.0
86.06075	29.6
91.05490	7.7
93.07050	15.4
94.06568	1.9
95.04971	1.5
95.07350	0.9
95.08613	16.8
96.08134	3.3
97.06525	0.8
97.10186	1.0
98.06052	1.4
98.09697	0.6
100.07648	0.9
100.22075	0.4
103.05450	0.8
105.06377	0.8
105.07042	10.7
107.04956	0.7
107.08607	11.8
108.08141	3.5
109.06517	1.2
109.08949	0.6
109.10168	8.1
110.06051	4.2
110.09659	1.9
111.06822	0.5
111.08032	0.5
112.07590	1.4
113.22050	0.5
117.07022	2.0
119.08589	11.0
120.08128	0.5
121.06485	0.8
121.10147	10.3
122.09672	2.0
123.08074	0.5
123.11723	2.8
128.06203	0.9
129.07042	2.1
130.07741	0.6
131.08574	3.5
133.10147	6.1
134.09644	1.3
135.08055	0.6
135.11702	6.0
136.11221	3.0
137.09650	0.9
142.07825	0.5
143.08572	4.0
144.72084	0.5
145.09036	0.7
145.10133	9.0
146.09595	0.7
147.11696	7.5
148.11186	1.1
149.13242	3.9
150.12820	1.0
152.10712	1.0
154.12207	0.7
156.09357	0.9
157.10159	2.9
159.11725	4.5
160.11160	0.5
161.09633	0.8
161.13272	3.6
162.12752	0.9
163.11133	0.6
163.14859	0.8
164.14462	0.5
171.11732	5.3
173.13275	1.0
175.11258	0.6
175.14850	1.1
177.16400	0.7
185.13283	3.9
187.14841	3.1
188.14395	0.7
189.12695	2.7
189.16422	1.7
190.15967	0.8
192.13843	0.5
199.14883	1.3
201.16515	2.7
203.17955	2.7
204.17490	0.6
205.19576	1.3
206.15489	1.4
215.18002	0.5
218.19116	0.6
220.20537	0.6
227.17967	3.9
231.61797	0.5
232.20602	1.7
234.11269	1.4
234.18503	0.6
234.22072	2.1
244.20674	3.4
245.19023	3.2
262.21683	100.0
263.22079	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	262.2168
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
50.64063	1.1
55.05504	3.8
57.07064	2.9
58.06612	6.5
60.04516	3.2
63.43908	1.1
66.45477	1.4
67.05500	5.3
69.07057	2.9
70.06583	5.6
71.05000	1.6
79.05480	3.9
81.07065	13.3
82.04559	1.3
83.08605	2.0
84.08143	2.5
86.06012	1.2
88.07623	1.2
91.05487	6.6
93.07040	10.8
94.06565	2.5
95.08619	13.6
96.08126	3.5
97.06523	1.2
98.21503	3.0
100.07616	3.2
105.06373	2.3
105.07038	24.2
107.04933	4.3
107.08598	10.2
108.08105	5.0
109.08879	1.5
109.10168	8.5
110.09689	5.9
117.07072	1.7
119.08588	21.1
121.06515	1.4
121.10146	9.2
123.11698	5.4
131.08539	2.6
133.05330	1.5
133.10127	12.0
134.09677	1.2
134.51830	1.4
135.11682	4.1
136.11234	3.8
137.12001	1.8
145.10127	5.1
147.11699	20.7
148.11174	2.0
149.08362	5.8
150.12799	4.1
159.11647	1.9
161.08269	2.7
161.13258	6.3
164.14340	4.5
174.09189	3.3
175.14854	2.9
185.13188	3.2
187.14828	3.5
203.17992	42.5
204.17456	3.0
216.10387	1.7
220.20621	2.1
227.18013	1.7
233.19247	1.4
234.11267	14.6
244.20628	3.2
248.69235	1.3
262.10873	7.0
262.14285	4.4
262.18335	5.4
262.21686	100.0
263.21994	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.83454	0.4
51.02380	0.6
53.03946	2.7
55.01876	1.0
55.05512	13.4
57.03430	1.4
57.07082	3.8
63.78514	0.4
65.03947	2.2
67.05506	43.8
69.03410	0.5
69.06715	0.9
69.07069	12.4
71.04993	2.5
71.08621	0.8
71.59560	0.7
76.75374	0.4
77.03932	0.8
79.05494	53.3
81.07058	47.7
83.04995	1.4
83.08630	5.9
85.06539	3.3
89.86919	0.5
91.05482	28.1
93.07046	70.7
94.07378	0.8
95.04980	4.7
95.08609	35.4
96.08966	0.6
97.06544	4.0
97.10158	3.1
99.08090	3.1
105.04532	1.2
105.07035	19.6
107.04962	0.8
107.08596	42.3
109.06519	1.9
109.10161	14.5
111.08075	3.1
111.11722	0.6
113.09635	0.9
115.05486	0.6
117.07023	7.3
119.08578	15.7
121.10149	41.3
123.08075	1.3
123.11703	5.0
125.09647	1.2
129.07005	0.6
131.07582	0.8
131.08572	15.0
131.09518	1.0
133.09109	0.7
133.10129	13.1
133.11067	0.9
135.08081	0.6
135.11700	33.1
137.09607	1.8
137.13268	1.7
139.11145	1.2
145.10121	14.7
147.11690	11.6
149.09581	0.8
149.13261	24.3
151.11156	1.2
151.14815	1.0
153.12752	0.8
159.11697	10.9
161.13255	11.0
163.11147	0.6
163.14822	18.4
165.12744	1.8
173.13272	10.6
173.14708	1.0
175.14816	4.6
177.12863	0.6
177.16394	4.7
179.14322	1.5
187.09494	0.6
187.14848	6.9
189.16383	1.2
191.14265	0.9
201.16359	3.7
203.17996	0.7
205.15808	0.9
215.18005	1.7
217.19557	0.9
219.17497	0.9
233.22722	1.1
243.21086	29.5
244.21448	0.7
246.58530	0.5
261.22144	100.0
262.14438	0.4
262.22470	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	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01860	1.6
55.05263	1.2
55.05510	16.0
57.03418	1.9
57.07072	4.3
60.25842	0.8
65.03925	1.8
67.05509	40.7
69.06729	0.9
69.07072	14.3
69.24754	10.1
71.04984	1.6
71.08637	1.2
74.01045	0.9
77.03973	0.9
79.05495	54.6
81.03371	1.3
81.07060	52.3
83.05009	1.4
83.08633	6.6
85.06536	3.0
91.05486	30.5
93.07048	78.4
95.04984	6.5
95.08608	40.6
97.06521	2.9
97.10173	2.5
99.08089	1.9
105.04538	1.1
105.07036	21.5
107.04964	1.4
107.08598	45.7
107.43219	0.8
109.06496	3.0
109.09457	1.3
109.10155	16.6
111.08080	2.8
111.11703	1.2
113.09608	1.5
117.06999	6.0
119.08582	16.5
121.06522	1.0
121.10151	41.6
123.08086	2.0
123.11696	4.4
125.09634	1.6
126.46373	0.9
127.11295	0.9
129.07123	1.0
131.08568	17.0
133.10136	14.1
135.11702	33.5
137.09663	1.1
137.13242	1.0
138.64584	0.8
145.10139	14.8
147.11700	11.6
149.08362	0.9
149.13263	19.9
153.12808	1.1
159.11668	11.0
161.13266	11.0
163.14838	15.3
165.12706	1.2
169.72713	1.0
173.13277	11.5
175.14888	5.2
177.16362	3.7
179.14346	1.7
187.14867	6.5
201.16418	3.1
215.17979	10.0
219.17209	1.0
233.22614	1.4
243.21114	24.5
246.14127	0.9
260.17926	0.9
261.22147	100.0
282.09610	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01874	0.7
55.05511	12.4
57.03432	1.5
57.07083	3.6
59.05006	0.7
65.03943	1.7
66.91829	0.5
67.05508	39.4
69.07072	12.4
69.34838	4.7
71.04993	2.0
71.08655	1.1
77.03922	1.1
79.05497	54.6
81.07063	45.1
81.07575	0.5
81.99240	0.5
83.04965	1.0
83.08626	6.2
83.33010	0.5
85.06529	2.5
91.05482	25.5
93.07048	72.7
94.07401	0.6
95.04964	4.2
95.08609	33.8
96.08957	0.4
97.06531	3.2
97.10168	2.8
99.08095	2.9
105.04545	1.3
105.07034	16.3
107.08599	46.0
109.06525	2.1
109.10159	14.0
111.08063	3.0
111.42822	0.4
113.09650	1.2
115.05444	0.6
117.07024	6.7
119.08593	16.1
121.10147	40.2
123.08083	1.4
123.11714	4.7
125.09632	0.7
129.06982	0.6
131.08569	15.2
133.10144	12.4
135.08017	0.6
135.11700	34.2
137.09639	1.9
137.13249	1.4
139.11206	1.3
145.10133	14.3
145.11279	0.8
147.11697	11.8
149.09674	0.5
149.13263	24.6
151.11201	0.8
157.10022	0.5
159.11700	11.1
161.13277	10.3
163.11156	0.8
163.14836	17.8
165.12735	1.2
173.13283	10.0
175.14792	4.6
177.16425	4.3
179.14328	1.1
187.14847	6.7
189.16351	0.9
201.16411	2.2
203.17924	0.5
215.17975	6.9
217.19414	0.5
219.17361	0.8
233.22638	1.6
243.21097	28.2
244.21333	0.9
261.22153	100.0
262.22412	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	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03950	2.7
53.04179	0.4
54.50005	0.4
55.01871	0.9
55.05517	14.9
57.03433	1.5
57.07079	3.7
65.03945	2.0
67.05510	44.2
69.03432	0.4
69.07078	12.5
71.04991	2.2
71.08643	1.7
77.03928	1.2
79.05499	61.9
80.05840	0.4
81.03433	0.4
81.07063	49.0
82.07373	0.5
83.04993	1.1
83.08623	7.2
85.06551	3.4
91.05487	30.7
93.07053	73.0
94.07422	0.6
95.04980	5.5
95.08614	37.2
96.08850	0.5
97.06547	3.1
97.10176	3.2
99.08104	4.9
105.04524	1.5
105.07037	17.8
107.08604	49.7
109.06526	1.8
109.10167	15.9
109.10928	0.9
111.08069	3.2
111.11758	0.7
113.09650	1.2
117.07034	6.5
119.08592	15.4
121.10152	45.1
123.08080	1.7
123.11703	5.6
125.09657	0.7
129.07030	0.6
131.08583	15.9
133.10146	14.1
135.08064	0.9
135.11703	35.3
136.12071	0.5
137.09647	1.7
137.13286	1.7
145.10135	15.5
147.11700	11.9
149.09708	0.6
149.13268	25.2
150.13608	0.6
151.11206	0.8
151.14833	0.6
153.12738	0.6
157.10136	0.6
159.11703	10.2
161.13274	12.5
163.11191	0.5
163.14836	20.9
165.12784	1.6
173.13269	12.7
175.14847	5.8
177.16409	5.3
179.14323	1.2
185.13344	0.6
187.14842	6.5
189.16368	0.8
191.14378	0.5
201.16411	3.6
203.18048	0.7
205.15863	1.3
215.17952	8.1
217.19478	0.7
219.17490	0.8
233.22701	1.5
243.21109	31.2
253.45624	0.5
261.22159	100.0
262.22534	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03948	4.3
55.05267	0.9
55.05517	13.2
56.13368	0.8
57.01179	0.9
57.03423	1.5
57.07072	4.1
58.60666	0.9
65.03920	2.1
67.05506	37.9
69.07079	10.7
69.29366	2.1
69.29781	6.6
71.04993	2.2
71.08646	1.1
79.05495	52.0
81.07061	42.9
83.08635	8.1
85.06533	3.2
91.05489	22.2
93.07050	69.0
95.04961	2.5
95.08613	35.5
95.09045	0.5
95.09247	1.2
95.93253	1.0
97.06577	4.1
97.07085	0.8
97.10155	2.6
99.08086	2.4
105.04489	1.0
105.06377	1.5
105.07036	18.4
106.86449	0.8
107.08601	44.8
109.06504	1.9
109.10162	14.7
111.08068	3.2
114.28299	0.9
117.07011	5.6
119.08589	14.7
121.10152	37.2
123.08053	1.4
123.11691	4.7
125.09614	1.1
131.08588	13.2
133.10135	12.7
135.07964	0.8
135.11705	33.0
137.13237	1.0
145.10133	16.7
147.11719	11.8
149.09647	1.1
149.13266	24.9
151.11215	1.5
151.14713	1.1
153.32634	0.9
159.11711	8.8
161.13278	10.0
163.14830	20.4
165.12791	1.7
172.25650	0.9
173.13274	9.7
175.14822	3.8
177.16359	4.2
187.14836	7.7
189.16360	1.0
201.16389	3.0
205.15860	1.1
215.17889	2.0
217.42848	1.0
233.19150	1.0
233.22682	1.2
243.21097	29.8
261.22153	100.0
262.22601	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	261.1851
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
55.05494	1.5
57.07059	0.5
67.05511	2.6
69.07071	2.4
71.33802	0.5
79.05103	0.4
79.05495	3.5
79.81315	0.3
81.07067	3.0
83.08601	1.2
91.05486	3.1
93.06562	0.5
93.07063	5.4
95.04953	0.5
95.08611	5.4
97.10132	0.5
105.07039	3.8
107.08605	8.8
109.06564	0.5
109.10152	4.5
117.07024	2.3
119.08592	12.3
120.08871	0.4
121.09313	0.4
121.10159	4.9
123.11707	0.4
131.08569	5.2
132.81450	0.3
133.10152	3.3
135.11673	1.9
143.08554	0.5
145.10132	13.5
147.11714	1.8
149.13249	0.7
153.09145	0.8
157.10110	0.4
159.11720	10.0
161.09659	0.5
161.13274	0.7
171.11655	1.0
172.12437	0.6
173.13266	6.1
175.16560	0.3
177.09103	1.2
179.10675	0.7
185.13287	0.5
186.14087	0.6
187.14835	1.4
191.10606	0.6
193.12181	0.6
200.15585	0.7
205.12320	0.5
215.17975	100.0
216.18326	1.4
217.19749	0.8
233.19077	0.6
234.11238	0.5
243.17584	0.5
246.13843	0.5
261.18539	30.7
261.22012	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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03955	2.4
55.01880	1.2
55.05258	0.8
55.05516	12.2
55.05782	0.8
57.03449	1.6
57.07082	4.0
65.03946	1.5
65.33690	0.5
67.05510	40.5
67.38229	0.5
69.07074	11.3
69.43465	4.0
71.05006	2.2
71.08631	0.9
73.95734	0.5
77.03917	1.0
79.05501	53.6
81.07063	50.5
83.04997	0.7
83.08627	6.8
85.06552	3.1
87.64108	0.4
91.05492	27.8
93.07053	69.8
95.04975	3.8
95.08616	32.7
95.09520	0.6
97.06551	3.3
97.10191	2.3
99.08104	3.6
103.05447	0.6
105.04527	1.2
105.07039	18.8
107.08603	43.7
109.06528	1.6
109.10165	13.0
111.08088	3.5
111.11762	0.5
113.09653	1.2
117.07023	6.8
119.06081	0.7
119.08585	15.8
121.10153	42.1
123.08064	1.1
123.11728	4.7
125.09660	1.1
129.07008	0.6
130.07796	0.5
131.07584	0.8
131.08582	14.7
133.10144	12.1
135.11707	35.0
137.09630	1.1
137.13278	0.9
139.11218	0.7
145.10138	15.2
147.11699	11.9
147.12782	0.9
149.02292	0.5
149.13272	26.0
151.11180	1.4
153.12741	0.8
159.11710	9.9
161.13266	11.8
163.14832	17.7
165.12755	1.8
173.13289	10.9
175.14838	4.5
176.23801	0.5
177.12688	0.5
177.16388	4.7
179.14352	1.8
187.14841	7.1
189.16367	0.8
192.02428	0.5
201.16417	3.4
203.18071	0.5
205.15936	1.0
215.18037	2.0
219.17479	0.9
233.22681	1.0
243.21103	31.5
261.22165	100.0
262.22528	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	261.1852
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
53.03941	0.5
55.05515	2.2
57.07061	0.7
58.93555	0.3
67.05219	0.3
67.05514	3.6
69.07066	2.8
69.64580	1.3
69.65009	1.1
79.05498	4.7
80.92036	0.3
81.07067	5.8
83.04986	0.3
83.08611	1.0
91.05484	3.5
93.07051	7.8
94.28945	0.3
95.04942	0.4
95.08614	7.8
103.05495	0.4
105.07046	5.3
107.07883	0.6
107.08603	10.4
109.10159	5.6
115.95573	0.3
117.07024	1.7
119.08594	12.7
121.10151	5.6
123.08074	0.4
123.11678	0.7
129.06984	0.5
131.08582	5.4
133.10133	4.5
135.11705	2.7
143.08582	0.4
144.09322	0.4
145.10135	14.2
145.43578	0.3
147.11720	3.1
149.09566	0.4
149.13266	1.1
153.09102	0.6
156.21313	0.3
157.10173	0.5
159.11707	11.2
159.13017	0.6
161.13220	1.6
163.14857	0.4
165.09123	0.4
171.11713	0.8
172.12465	0.4
173.09700	0.4
173.13272	6.2
175.14853	0.5
177.09100	0.9
179.10669	0.7
185.13286	0.8
186.14029	1.0
187.14801	2.0
193.12244	0.5
200.15561	0.6
201.16429	0.6
203.18005	2.1
215.17969	100.0
216.18312	1.4
217.19458	0.9
243.17418	0.6
243.21133	1.7
246.13799	0.3
252.02203	0.3
261.18527	31.2
261.22101	6.0
262.14389	0.4
262.18823	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	261.185
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
53.03937	1.0
55.05515	4.5
57.07065	1.2
63.84055	0.4
65.03954	0.6
66.47833	0.3
66.52705	0.4
67.05165	0.6
67.05506	8.8
69.07074	3.5
70.41215	0.6
70.41612	0.7
71.04972	0.7
75.66543	0.3
79.05061	0.7
79.05497	13.3
81.03419	0.5
81.07060	11.8
83.08614	1.8
85.06539	0.8
91.04965	0.5
91.05490	8.4
93.07049	17.8
95.04974	1.4
95.08044	0.6
95.08609	9.5
97.06519	1.1
97.10167	0.7
99.08082	0.6
105.04504	0.8
105.07030	8.3
107.08598	15.9
109.06540	0.9
109.10165	6.5
111.08109	0.8
113.09627	0.5
117.07014	3.3
119.08585	15.5
120.41698	0.4
121.10148	10.6
123.08031	0.8
123.11703	1.3
126.69293	0.4
129.06996	0.7
130.07811	0.5
131.08572	7.9
133.10127	5.1
134.29115	0.4
135.07988	0.8
135.11693	5.6
137.09517	0.5
137.13275	0.4
140.65967	0.4
143.08560	0.9
145.10132	17.3
146.10905	0.5
147.11696	3.9
149.13252	3.9
151.11250	0.6
159.11694	11.9
161.09624	0.4
161.13293	3.1
163.14825	3.2
164.27386	0.4
171.11737	1.0
172.12512	0.6
173.13272	6.9
175.14948	0.8
177.09111	0.6
177.16379	0.7
179.08151	0.4
179.10683	0.8
179.14224	0.4
185.13309	1.0
186.14081	1.0
187.14787	1.7
191.10605	0.4
193.12277	0.5
200.15565	0.6
201.16313	0.5
205.85175	0.4
215.17964	100.0
216.18324	1.1
217.19490	1.1
233.18898	0.7
243.17450	1.1
243.21092	4.0
261.18524	31.3
261.22131	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	261.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02670	0.3
56.96572	3.3
60.95842	0.6
69.91251	0.3
69.94815	0.4
69.95087	1.6
71.33467	0.3
71.95251	0.8
75.94547	0.4
79.97409	0.3
84.96020	0.6
91.89803	0.3
98.97589	24.7
99.97918	0.7
100.97195	0.6
100.98006	0.5
101.00890	3.7
102.96880	4.0
104.83197	0.4
110.47514	0.3
110.97586	0.5
116.98625	11.8
118.96783	0.3
118.98226	0.5
118.99039	0.4
119.01144	0.5
119.01933	6.8
120.97950	1.9
128.98601	0.5
134.99698	3.9
137.02960	1.1
138.98927	0.5
140.98653	0.6
143.00191	0.4
149.04788	0.4
153.00792	0.5
158.99834	2.3
162.25996	0.3
173.01195	0.5
176.93652	0.4
177.00952	14.4
182.99789	0.7
189.00728	0.4
201.00838	2.0
217.04068	2.3
219.02013	19.7
220.02083	0.8
224.98999	0.4
225.00896	1.7
237.98557	0.5
238.22247	0.3
242.98381	0.5
243.02019	10.2
255.94833	0.4
256.96677	1.0
260.99777	7.1
261.03070	100.0
262.03198	3.4
263.03540	0.6
273.94507	0.6
275.04697	0.6
278.96848	3.9
279.00632	9.4
279.03763	0.5
284.04608	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	261.076
Annotation	3-acetonyl-1,6,8-trihydroxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
54.44332	1.1
55.01862	2.3
55.05509	5.0
57.07072	1.8
59.04993	1.0
65.03642	1.1
65.03945	9.0
67.05508	7.3
69.03420	1.4
69.07074	5.3
71.08636	4.9
71.08958	1.0
78.21920	0.9
79.05484	3.0
81.03414	2.3
81.07070	7.9
83.08635	2.3
85.02929	0.8
87.24027	0.9
91.05482	9.7
93.03427	11.6
93.07040	4.2
95.04971	6.1
95.08639	7.0
97.02906	9.2
97.10174	1.2
100.11260	1.4
105.07037	2.7
107.04941	7.9
107.08601	5.5
109.02906	2.3
109.10192	5.9
111.04420	2.0
114.60719	1.0
115.05489	7.0
116.06213	2.3
117.06998	2.6
119.04942	1.3
119.08574	1.8
121.02872	12.8
121.10149	3.6
123.11702	3.3
128.06241	8.7
129.07037	7.3
131.04929	7.2
131.08583	27.9
133.06476	1.3
133.10086	1.0
134.23788	1.0
135.11674	3.4
137.13251	1.3
139.03949	5.8
141.06996	30.1
143.08566	4.6
144.05711	20.8
145.06537	6.4
145.10107	2.1
147.04420	2.1
149.02370	2.9
149.13252	3.5
151.14851	1.2
152.06215	4.6
153.07005	7.0
155.06091	1.3
157.06511	22.6
158.07283	8.9
159.08066	100.0
160.08362	1.5
161.06018	1.6
161.09650	1.3
163.14832	3.1
167.03438	6.0
169.06480	45.2
169.07660	5.0
171.08054	11.3
173.06024	2.9
177.16359	1.8
181.06425	1.4
183.11627	1.1
184.05203	1.2
185.05997	10.2
187.07561	45.5
197.05994	38.2
199.07561	2.1
201.05534	1.1
201.09181	1.7
201.63902	1.1
203.33392	1.1
215.07043	83.3
215.18015	1.5
225.05489	4.0
229.15714	1.3
243.06554	16.0
244.84680	1.0
261.07605	73.0
261.18631	2.2
261.22122	1.6
261.25812	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	261.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	51.6
69.07082	1.4
69.45341	1.1
69.57224	7.6
70.06591	1.2
70.22947	1.0
71.95269	2.2
73.61974	1.0
74.97622	2.7
84.04507	3.5
84.08148	2.8
84.96047	6.6
85.02930	2.2
86.09710	35.1
86.97597	1.2
93.23325	1.1
97.02922	1.4
98.20705	2.1
98.97592	100.0
99.97916	1.2
101.00887	2.1
102.96873	5.2
110.97590	10.4
112.99149	2.9
113.62856	1.1
115.00703	13.6
116.98631	71.5
119.01919	6.4
120.97916	4.4
124.99119	2.5
128.98637	10.5
129.02196	1.2
129.20029	1.2
130.05013	2.3
131.00189	3.0
131.01903	3.3
131.03806	1.5
133.01689	13.3
133.03325	1.4
134.99677	29.3
138.98947	1.6
140.00241	1.5
140.98587	9.2
143.00195	11.9
143.01910	1.3
145.01712	1.3
146.99652	3.7
147.03284	1.7
148.06064	5.6
149.01280	2.4
149.04904	1.6
151.02664	1.5
152.98578	2.1
153.00684	2.2
155.00159	1.7
156.98154	1.2
157.01775	3.5
157.03471	1.1
158.99666	23.7
161.01254	7.8
161.02896	1.9
163.02727	1.6
170.99667	7.4
173.01268	6.7
173.02997	3.4
174.99216	8.7
175.00577	1.5
175.01320	2.0
175.02763	12.6
177.00725	30.5
179.02292	4.9
182.99684	2.3
185.03043	1.6
189.00755	6.9
189.02255	1.8
191.02306	5.4
191.03870	1.1
193.00221	7.3
193.03874	3.2
193.07478	1.3
195.01776	4.5
197.71620	1.1
201.00734	11.1
201.02565	4.8
207.01881	2.3
211.01259	1.4
215.02283	3.6
219.01782	21.4
219.03595	7.1
231.01889	2.0
233.03343	2.4
235.04787	1.3
236.95804	1.6
237.02840	16.1
243.01709	2.6
260.95605	1.3
261.02878	20.2
261.05777	4.8
261.09592	3.7
261.14532	1.7
278.96915	6.2
279.00842	2.5
279.03760	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05510	12.3
57.07069	2.3
67.05537	11.3
67.05830	2.1
69.06783	3.1
69.07081	32.1
69.29742	20.0
69.30151	5.2
71.05005	22.7
79.05490	8.2
81.07053	12.8
83.04975	5.2
83.08617	7.1
85.06556	24.9
88.67812	2.3
91.05497	13.9
93.07063	20.2
95.04972	3.1
95.08636	16.7
97.06552	4.9
105.07040	28.4
107.08587	19.9
109.06528	8.4
109.10172	12.1
111.08097	12.9
117.07021	9.2
119.07786	4.7
119.08595	57.5
121.10137	10.1
123.11727	24.3
124.92204	2.5
129.07047	4.7
130.07819	2.3
131.08588	18.6
133.10132	33.7
135.08083	16.8
135.11710	4.1
137.09636	5.0
143.08565	8.5
144.09351	4.2
145.10127	35.1
147.11719	22.0
149.09624	3.5
156.09409	4.0
157.10156	15.0
159.11719	38.6
160.12531	3.0
161.13264	32.9
165.12808	2.3
171.11702	16.4
173.13310	11.9
175.11191	4.6
175.14853	95.5
176.15590	3.6
177.12889	2.8
177.16449	5.5
183.97446	2.2
185.13254	16.5
187.14865	2.7
189.12750	6.6
189.16406	6.4
190.13574	3.7
190.51651	2.3
199.14977	5.2
201.16409	27.6
202.70976	2.1
203.14395	11.5
215.17963	4.0
217.19452	3.7
226.17270	2.1
229.09975	3.6
241.14594	2.1
241.19537	17.1
244.12433	4.7
254.04106	2.6
259.20609	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	259.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05513	1.4
56.05040	4.6
56.96559	2.9
57.03438	1.6
59.04987	0.8
61.02913	0.8
64.98569	0.7
67.05491	2.8
69.03424	3.5
69.07064	1.5
69.53711	6.2
70.06588	2.8
72.08148	1.5
73.02925	1.4
74.02446	98.4
76.18945	0.7
78.27556	0.8
79.05448	0.8
81.03419	1.7
81.07047	2.4
84.04509	100.0
84.08152	5.5
84.96019	1.3
85.02908	8.2
86.09704	2.3
87.04459	1.1
91.05457	1.1
93.07061	0.9
95.04955	2.7
95.08582	1.1
97.02903	4.6
97.08338	0.8
97.77387	0.8
98.97582	4.4
99.04434	0.9
102.05530	2.9
105.03376	0.9
107.08620	1.1
109.10123	1.2
110.97545	1.0
111.04411	0.9
112.07557	1.1
113.05994	3.9
116.98631	1.9
121.10130	1.1
123.05576	0.8
125.07122	0.7
127.03934	1.3
128.98602	1.0
129.10199	0.8
130.05008	39.7
130.08652	47.6
131.00180	1.0
133.06445	0.7
133.10078	0.8
134.99652	0.8
137.06018	1.1
146.99725	1.1
149.13177	1.1
150.09146	17.4
158.99648	1.2
162.05519	1.0
169.08594	2.6
177.00772	0.9
186.03888	1.2
186.09235	1.3
195.11386	0.9
196.09720	18.7
197.12904	0.9
199.11162	1.1
213.05484	1.1
219.01791	1.1
237.02783	2.0
240.73610	0.9
241.11963	2.1
242.10254	8.5
256.12213	0.9
259.12930	42.7
259.20355	1.0
259.24283	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	259.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.3
56.05019	2.7
67.05505	1.6
68.04716	0.9
68.05038	11.7
69.03431	3.0
69.07094	3.5
69.88175	3.3
72.04521	10.0
73.02917	0.8
74.02457	0.8
74.79926	0.7
79.05499	1.4
80.04999	0.9
81.03419	2.9
81.07059	2.0
83.04994	0.8
84.04031	1.0
84.04507	12.5
85.02892	1.6
91.05489	2.3
93.07063	1.0
95.08583	2.2
97.02906	1.4
97.06544	10.2
107.08607	1.2
109.10164	1.0
109.78587	0.7
112.03992	2.2
115.05450	2.8
115.07536	0.8
117.05786	0.9
117.07040	2.1
118.06550	35.3
121.02940	0.9
121.06538	0.8
121.10114	0.8
127.03899	1.1
129.06972	0.8
130.05084	15.7
130.06537	100.0
131.06853	1.0
131.08545	1.0
132.08098	3.6
139.09096	0.7
140.32362	0.7
142.06537	3.2
142.07558	0.7
143.07324	4.1
144.08093	27.2
145.10115	1.1
146.06020	68.3
147.06430	0.9
156.08095	1.1
158.09665	2.3
159.09198	6.6
160.07585	1.7
161.06026	0.9
161.42807	0.7
163.14862	1.1
168.08093	9.7
169.07639	6.6
170.06021	7.6
170.09717	1.3
175.03937	0.8
177.22321	0.8
185.05890	0.8
186.09143	13.1
187.08757	0.7
188.07079	63.5
189.07364	0.7
189.09105	0.9
195.09293	1.2
196.07660	1.3
197.10852	1.3
213.09018	1.3
214.08615	0.8
215.08208	16.0
217.08513	1.0
241.09853	4.1
242.08194	1.9
259.06339	1.3
259.07889	1.0
259.10876	16.9
259.13608	1.1
259.16830	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	259.0968
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
55.01852	3.7
55.05505	1.1
55.40739	0.8
61.58567	0.8
69.03409	1.4
69.07063	1.2
69.38612	5.8
69.39033	1.7
79.05482	2.4
81.07072	1.3
81.58304	0.8
85.02872	0.9
87.64590	0.8
91.05463	2.1
91.52026	0.8
93.07021	1.1
93.70475	0.8
97.06523	7.3
98.21576	1.0
99.22530	0.8
104.59639	0.9
105.07036	1.8
109.02856	1.1
115.05429	3.2
117.06981	1.0
119.82305	0.8
128.06223	19.0
129.07008	25.7
131.08560	1.5
141.06995	11.6
142.07803	5.6
143.08566	20.5
145.10118	1.1
147.04356	0.9
150.61966	1.0
152.06210	7.0
153.06955	3.9
153.08049	0.8
154.07790	7.5
156.05714	2.5
157.06514	9.4
157.10132	13.7
159.07954	1.2
159.11755	1.2
160.05267	1.7
160.96431	0.8
161.05980	2.1
163.03851	1.5
165.06973	3.2
166.07756	2.0
167.04929	5.6
167.07239	1.7
167.08571	19.4
168.05736	6.7
169.06506	9.9
169.10138	9.6
170.07362	1.5
171.04433	1.0
171.08063	36.6
173.02345	1.3
173.06012	2.8
177.06943	1.1
179.08586	2.2
181.06470	3.2
182.07239	1.5
183.08075	2.2
184.05202	42.8
184.08768	1.8
185.06001	22.7
185.09624	28.0
186.06683	1.2
187.07567	4.0
187.11098	1.0
189.09151	3.0
195.08070	43.7
197.09630	16.6
198.06711	1.9
199.07553	11.5
199.14639	1.0
201.16324	0.9
212.04698	2.6
213.09117	100.0
214.09703	1.6
215.07021	4.0
215.10582	4.3
217.08621	29.8
223.07588	4.0
231.10172	2.0
241.08612	45.8
259.09641	52.0
259.16968	1.3
259.20621	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	258.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	9.6
59.30725	0.2
60.79337	0.3
69.92640	0.3
71.03401	0.5
71.95280	1.9
73.60625	0.3
98.97593	100.0
99.97907	0.3
100.97198	0.9
106.18401	0.3
113.67781	0.3
116.98633	50.6
118.98220	0.5
134.99675	13.6
140.00200	1.1
153.00745	1.3
154.78867	0.3
158.01306	0.9
174.97649	0.5
216.98738	0.4
219.02052	0.6
234.99855	0.8
240.98627	3.7
241.00774	0.3
258.99789	44.5
259.99921	0.6
273.01288	0.4
276.98129	1.8
277.00836	50.0
278.01019	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	259.0826
Annotation	Posoquenin
Peak:m/z	Relative Intensity
55.05497	0.6
55.55161	0.5
57.07064	1.8
62.99734	0.4
67.05491	0.6
69.03433	0.8
70.06570	0.6
71.59015	0.5
73.02905	0.5
79.05466	1.0
81.03432	0.9
81.07042	0.9
83.04969	0.6
84.08142	7.9
85.02883	0.7
85.06527	1.5
86.09670	0.6
91.05462	1.3
93.07053	0.8
97.02911	0.5
98.09695	0.6
99.04473	0.4
104.04941	0.5
105.07007	0.6
106.06544	0.5
109.02879	0.5
118.05247	0.6
119.04907	0.5
119.08522	0.5
123.08077	0.5
127.03940	0.8
128.04962	1.0
129.10231	2.7
130.08630	1.7
131.06042	2.6
133.07663	2.5
143.06056	1.0
145.10170	0.5
146.05992	0.8
157.10193	0.5
158.07161	2.9
169.07652	0.9
170.07166	8.6
185.07120	0.7
188.08197	32.1
190.09775	0.5
198.06645	0.9
206.09236	0.7
213.05334	0.6
214.06129	15.9
215.05573	2.6
216.07693	3.9
229.07214	0.6
231.08765	0.7
232.07173	29.6
233.07381	0.5
234.08784	1.1
241.07211	1.4
259.08276	100.0
259.16385	2.8
260.06418	1.1
260.08859	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	259.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05501	0.4
55.52176	0.3
56.05043	0.5
57.07075	1.5
67.05490	0.6
69.03408	0.7
70.06618	0.4
71.04995	0.4
72.08152	0.4
76.99674	0.3
79.05473	0.9
81.03423	1.0
81.07054	0.7
82.20495	0.3
83.04961	0.3
84.07685	0.4
84.08150	5.7
85.02857	0.3
85.06528	1.0
86.09695	0.4
91.05479	0.5
93.07028	0.5
95.04962	0.4
97.02912	0.7
98.09698	0.4
100.07586	0.4
103.05402	0.3
104.04967	0.4
105.06989	0.4
106.06533	0.6
108.38945	0.3
109.02859	0.4
116.04972	1.1
118.05295	1.0
119.04911	0.3
120.08087	0.4
120.12280	0.3
121.10132	0.4
128.04950	0.8
129.10245	1.7
130.08626	1.3
131.06041	2.9
133.06665	0.4
133.07596	2.5
142.08652	0.3
143.04845	0.5
143.06049	0.7
146.06017	0.9
147.11266	0.4
158.07146	3.5
169.07607	0.4
170.07146	9.0
185.07111	0.5
188.08202	34.8
190.09779	0.6
206.09268	1.0
214.06123	16.0
215.05562	2.1
216.07771	3.2
229.07240	0.4
230.08064	0.3
231.06654	0.3
231.08786	1.1
232.07188	28.7
233.07417	0.5
234.08730	1.1
241.07167	0.8
242.08186	0.3
259.08286	100.0
259.16125	2.0
260.06561	1.0
260.08701	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.73619	0.9
53.03945	0.9
55.01872	2.5
55.05520	9.9
57.03430	3.1
67.05167	1.6
67.05511	22.3
69.07078	6.2
71.04990	1.5
79.05507	12.8
79.63500	1.1
81.07065	14.8
83.05000	1.4
83.08636	2.9
85.06551	1.6
91.05492	20.7
93.07059	10.9
95.04971	1.4
95.08622	16.3
96.08120	1.4
97.06529	3.3
97.10175	1.8
103.05469	1.5
105.06379	1.4
105.07042	14.4
107.04939	1.2
107.08614	7.4
109.10167	5.9
115.05462	2.9
116.06261	1.7
117.07031	29.2
119.08595	13.8
119.80431	1.0
120.97313	1.1
121.06545	1.1
121.10150	5.4
123.08052	1.6
125.09610	1.1
128.06235	4.0
129.07007	17.2
130.07779	4.1
131.04956	1.2
131.08580	54.0
133.06494	2.9
133.10167	11.6
135.08084	3.2
135.11693	3.2
137.09639	2.6
141.07033	6.4
142.07776	5.6
143.08589	17.9
144.09332	2.2
145.06496	7.0
145.10138	74.0
147.08063	3.6
147.11713	6.1
149.09668	2.9
149.13312	1.5
154.07782	2.3
155.08562	10.5
157.10153	20.8
159.08119	5.2
159.11713	29.6
161.09627	5.3
161.13266	3.0
163.11238	2.6
165.06975	1.1
167.08589	1.5
168.09358	2.6
169.10159	14.9
171.11710	20.2
173.09659	5.0
173.13275	13.6
175.11238	5.6
175.14854	1.5
177.12845	1.7
182.10886	1.3
183.11719	16.7
185.13258	4.2
187.11194	8.1
187.14850	2.6
189.12794	1.3
191.14297	1.2
196.12512	1.2
197.13290	14.9
199.14857	4.0
201.12784	4.1
201.16429	1.9
210.14069	1.8
211.07620	1.7
211.14835	4.0
213.16379	4.7
215.14348	5.2
215.17976	2.3
229.19496	5.8
239.17967	32.3
252.01476	1.1
257.07877	1.8
257.10184	2.4
257.19031	100.0
258.19302	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01859	0.9
55.05517	9.0
57.03435	1.9
57.07066	2.1
59.05002	0.9
60.08158	1.4
60.16666	0.7
65.03925	0.8
67.05508	23.9
69.07069	5.7
71.59594	1.0
74.43060	0.7
79.05502	11.3
81.07064	16.3
83.08603	3.4
85.06547	1.1
85.27592	0.7
89.26389	0.7
91.05483	22.4
91.82030	0.7
93.07049	11.2
95.04949	1.6
95.08615	15.7
97.06504	1.2
97.10153	1.4
103.05463	1.9
105.07037	22.9
107.04910	0.8
107.08598	4.6
109.10152	7.1
113.09642	1.1
115.05470	2.7
116.06242	1.6
117.07027	23.3
119.04929	0.9
119.08584	16.6
121.06468	1.1
121.10159	4.9
123.08089	1.3
128.06218	4.8
129.07013	11.9
130.07791	4.8
131.08572	36.0
133.06493	2.3
133.10139	13.6
135.08051	1.6
135.11694	2.7
137.09660	1.4
141.06967	4.2
142.07787	2.2
143.08563	15.1
144.09386	1.5
145.06505	4.7
145.10133	77.4
147.08000	2.5
147.11691	11.5
149.09615	1.1
154.07768	1.4
155.06018	0.9
155.08554	6.3
156.09328	1.9
157.10150	14.1
158.07379	1.1
159.08015	1.9
159.11696	22.5
161.09642	2.2
161.13272	2.6
163.11211	1.3
168.09329	0.9
169.10135	11.6
171.11708	16.7
173.09669	1.8
173.13266	9.1
175.11171	2.0
182.10873	1.0
183.11711	10.1
185.11842	0.8
185.13219	4.7
187.11177	12.1
187.14792	5.0
189.12628	1.1
197.13234	9.0
199.14838	1.5
201.12721	2.2
201.16423	1.4
211.14828	3.1
213.16380	2.1
215.14282	2.9
215.17892	1.2
229.06181	1.1
229.19528	38.2
230.19626	1.1
239.17944	13.4
257.05505	1.2
257.19019	100.0
257.26611	1.9
257.30331	12.1
258.19388	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.30702	1.4
53.03930	1.7
55.05515	10.6
57.03420	2.2
57.07053	2.5
59.04997	1.2
67.05507	25.2
69.07057	5.5
69.91866	5.2
69.92290	2.9
71.04990	4.3
79.05505	12.3
81.07058	14.7
83.08610	3.0
85.06532	2.5
91.05476	20.1
93.07041	12.9
95.04987	2.8
95.08618	11.5
97.06529	4.0
98.21421	1.8
100.79793	1.1
105.07045	27.1
107.04932	1.5
107.08593	9.8
109.06539	2.1
109.10169	8.5
111.08068	2.5
114.25263	1.2
115.05463	5.2
116.06248	2.0
117.07026	31.2
119.08583	16.4
121.10147	49.1
123.08099	3.5
123.11745	1.8
128.06238	5.4
129.07010	22.4
130.07771	4.3
131.04932	2.2
131.08577	63.8
133.00932	1.4
133.06488	2.3
133.10117	10.2
135.08034	6.7
135.11711	2.3
137.09633	2.3
141.07018	10.2
142.07796	7.8
143.08563	31.1
144.09393	1.5
145.06535	1.7
145.10129	73.8
147.08023	2.2
147.11690	3.2
149.09615	2.8
153.01825	1.6
154.07794	4.7
155.08571	15.5
156.09354	2.1
157.10130	25.7
158.10820	1.9
159.08080	2.1
159.11714	24.6
161.09659	2.9
161.13326	2.9
163.11147	2.7
167.08531	1.9
168.09338	3.0
169.10130	16.8
171.11708	29.9
173.09608	2.0
173.13269	21.7
175.11214	3.3
177.12749	2.7
181.10130	3.2
183.11710	28.8
185.13287	5.8
187.11232	7.2
187.14842	3.7
197.13264	18.1
199.14812	16.9
201.12791	5.1
209.13219	1.5
211.07549	5.0
211.14877	4.0
213.16457	6.5
214.17073	1.3
215.14401	2.8
215.17984	3.2
221.03114	1.3
229.19554	2.3
239.17963	32.0
257.08188	4.7
257.19022	100.0
257.26697	6.1
258.19434	1.7
258.27866	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	257.1135
Annotation	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
Peak:m/z	Relative Intensity
53.03944	2.0
53.37835	0.5
55.01878	0.8
56.05032	1.8
56.96572	5.7
57.03432	1.3
69.03445	3.5
70.44293	0.9
70.44622	1.0
71.95267	1.4
73.02911	1.0
80.05030	5.1
81.03431	0.6
81.05823	1.4
82.06591	13.0
84.04502	0.7
85.02911	2.4
96.04502	1.8
97.02896	3.1
98.06077	1.4
98.96930	1.3
98.97591	31.3
108.04488	60.7
109.05311	3.2
110.06129	0.5
111.05578	2.0
115.03965	1.2
116.98635	17.6
119.01863	0.5
121.02902	0.7
125.07127	28.5
126.07913	4.0
129.23788	0.5
134.99667	5.9
147.55922	0.5
149.02350	12.4
172.94394	1.2
190.95401	1.4
192.06631	1.2
214.95464	0.7
232.96455	1.0
240.08688	38.8
256.96512	2.4
257.11343	100.0
258.11618	0.7
274.97534	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	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
51.72272	0.9
53.03921	1.4
55.05518	5.1
57.07067	2.7
62.20201	1.0
67.05505	5.8
69.03436	1.6
69.07072	6.5
69.34760	8.3
71.04967	4.6
72.08129	1.1
79.05496	5.7
81.07071	7.7
83.04954	1.5
83.08604	3.7
85.06521	2.5
90.09220	1.4
91.05507	8.3
93.07052	14.2
95.04948	4.2
95.08608	9.8
97.06529	1.4
98.21526	2.2
103.05486	1.3
105.07037	25.7
107.08601	16.1
109.06512	8.2
109.10171	10.7
111.08083	1.8
115.05468	1.2
117.07010	5.4
119.08591	19.8
121.06525	1.6
121.10150	71.3
123.08053	4.5
123.11685	2.2
128.06227	2.2
129.07016	5.7
130.07806	2.0
131.08569	12.9
133.07603	1.1
133.10112	12.8
135.08055	15.7
135.11691	4.0
137.09615	6.0
141.06992	2.3
142.07788	6.8
143.08577	19.6
144.09404	2.4
145.10135	21.9
147.11674	3.3
149.09612	3.4
151.11179	2.2
153.01811	1.1
155.08586	5.3
156.09370	5.1
157.08937	1.9
157.10133	26.4
158.10898	5.7
159.08066	2.1
159.11702	24.4
161.09607	2.6
161.13258	2.9
163.11172	4.7
168.09367	2.1
169.10130	11.6
170.10857	1.9
171.11710	12.1
172.12579	1.0
173.09639	2.8
173.13271	26.1
173.14700	2.1
174.14012	3.1
175.11256	2.1
175.14816	3.3
177.12735	1.8
181.10229	1.5
182.10912	1.3
183.11713	11.2
184.12503	4.2
185.13295	2.8
187.11186	6.9
187.14848	6.2
189.12791	2.3
195.11719	1.9
197.13277	9.2
199.14833	36.2
200.15118	1.1
201.12749	10.1
210.13927	1.1
211.14812	1.6
213.16417	13.2
214.17140	3.4
215.14359	4.5
215.17937	9.8
224.15506	1.5
236.57211	1.0
239.17973	14.2
257.19022	100.0
257.26447	7.4
258.19244	1.4
258.28049	5.4
278.38458	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	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.5
56.96568	15.8
61.02912	0.6
65.82624	0.5
68.05025	0.4
69.03445	0.9
69.89035	1.3
69.89445	1.2
70.98129	0.6
71.95261	3.9
73.02910	1.1
80.52239	0.5
82.06571	0.5
85.02894	1.7
86.06071	0.5
86.09709	2.5
87.10057	0.4
94.93140	0.5
97.02883	1.2
98.97586	100.0
101.00837	0.4
108.04473	2.2
110.97572	0.7
116.98625	52.1
119.01890	0.8
121.01777	0.5
123.05544	0.7
125.06277	0.6
125.07102	2.5
127.03896	0.5
128.98566	0.6
130.42378	0.5
130.93291	1.8
131.00156	0.6
131.01830	0.4
134.99669	17.6
140.00214	1.1
143.00198	0.6
148.03902	0.6
152.07034	0.5
153.00784	1.5
158.99660	0.9
161.02985	0.5
162.53658	0.5
168.03500	0.5
172.94368	4.6
190.95413	4.4
208.96521	1.4
210.42276	0.6
214.95337	2.1
220.20940	0.4
232.96442	7.0
234.10379	0.5
240.08710	1.6
241.60138	0.5
247.95660	0.4
250.97574	2.1
256.96411	8.9
257.11188	3.7
274.97513	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0811
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
55.01874	0.3
57.07076	0.3
62.78718	0.3
65.94196	0.3
67.01880	1.9
67.05511	0.4
68.99793	1.8
69.03433	1.3
69.68718	1.0
69.69150	1.1
79.05497	2.9
81.07061	0.3
83.01362	0.8
83.99571	0.3
87.48072	0.3
87.66014	0.3
91.05488	3.0
95.04996	0.6
97.02911	0.9
98.21443	0.6
100.82236	0.4
102.09206	0.4
103.05476	24.7
105.03395	0.6
105.07042	0.6
105.68004	0.3
107.04954	3.1
111.00816	1.3
117.07056	0.9
123.04460	1.5
129.07001	0.7
131.04936	49.9
132.05247	0.4
141.06970	0.5
143.08560	0.3
145.06502	1.2
145.10146	0.7
147.08044	0.7
151.03899	2.4
153.01842	100.0
154.02174	0.7
169.10184	0.4
171.02878	1.9
173.05994	2.3
179.03435	1.9
185.13322	0.6
186.52420	0.4
191.07103	0.6
211.07536	1.0
215.07095	1.6
218.97794	0.3
239.06992	0.8
256.26437	0.7
257.08109	98.9
257.19037	1.3
257.26724	2.1
258.08435	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	256.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.01867	0.7
55.05515	1.0
56.96555	1.6
57.03430	1.2
57.07053	0.9
61.06840	0.5
65.03944	7.3
67.05494	2.4
69.03424	2.6
69.07068	0.7
69.46590	2.0
69.47020	2.4
70.06586	1.2
72.08169	0.8
72.47531	0.6
73.02913	0.7
79.05495	0.8
80.58955	0.6
81.03425	1.0
82.00538	0.8
82.04214	3.6
84.08122	0.9
85.02916	6.9
88.33559	0.6
93.03409	1.7
95.04974	1.4
97.02897	1.5
97.06523	2.0
98.97591	1.5
98.98457	1.5
108.02103	1.5
109.02859	0.9
110.03664	3.0
111.04435	1.5
119.01866	0.7
124.03947	2.3
125.05982	2.0
127.03938	1.4
128.02354	0.8
138.03113	1.4
142.02611	3.6
145.04900	0.7
153.05467	0.6
158.99716	0.6
161.02882	0.6
166.03920	1.4
166.08701	0.7
171.06523	4.0
175.04422	1.9
181.04971	100.0
182.05318	1.0
184.67690	0.6
187.02814	1.0
232.99289	0.6
256.19122	1.1
256.23883	0.7
256.26340	3.5
260.34311	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	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.17658	0.5
63.24446	0.6
65.03939	5.7
67.05502	2.7
69.03400	0.7
69.40846	0.6
69.41185	4.8
82.04198	2.3
85.02905	4.4
93.03403	1.6
95.04946	0.6
97.06529	2.0
107.29219	0.5
108.02097	1.3
110.03663	3.2
111.04440	1.2
123.00776	0.7
125.05969	1.7
138.03142	1.9
142.02647	2.3
153.05458	1.4
171.06549	4.5
181.04967	100.0
182.05290	0.9
238.90631	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	255.1592
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03943	5.6
55.01876	32.4
55.05513	49.6
56.55000	2.8
56.96547	3.0
57.03431	6.2
59.04980	3.3
65.03902	3.0
67.05504	37.0
68.65156	2.7
69.03426	5.1
69.07069	34.7
70.06578	6.4
71.04993	17.9
71.08620	2.8
71.57546	4.8
79.05489	67.0
81.03428	5.4
81.07059	45.6
81.68729	2.5
83.04986	39.0
83.06087	3.5
83.08627	27.0
84.08147	5.0
85.02905	5.5
85.06538	10.0
87.04453	8.8
91.05483	34.1
92.56039	3.0
93.07039	52.2
95.04965	16.3
95.08601	28.8
97.06544	32.6
97.10126	4.7
98.98464	100.0
99.04447	4.5
100.98866	4.7
101.06019	28.0
105.07043	23.2
107.04951	23.7
107.08592	33.2
109.06531	9.8
109.10163	12.8
110.07179	3.8
111.04430	27.6
111.08085	21.6
113.06030	8.3
113.09628	4.4
115.03895	3.7
115.05457	4.4
116.99506	4.0
117.07030	20.5
119.08557	11.2
121.06506	36.5
121.10147	6.7
122.45779	2.8
123.05553	17.9
123.08073	6.3
123.11751	5.2
125.05991	26.8
125.09636	84.9
125.10558	5.1
126.70588	3.1
127.07577	4.6
129.05464	12.5
129.06993	5.7
129.09105	9.8
131.08571	49.2
133.10130	4.8
135.08057	28.5
137.05904	3.2
137.09686	3.6
139.07567	15.7
141.07014	5.0
143.07036	7.1
145.10123	18.6
147.06544	5.6
147.08046	3.7
147.11668	4.0
149.05981	26.1
149.09605	7.9
149.13295	3.9
151.07608	3.2
153.09091	10.0
157.10136	8.9
159.11691	11.6
163.07526	20.4
167.07040	14.1
171.06622	2.9
171.11633	4.1
173.13277	51.1
175.11333	3.3
176.98962	6.3
177.09082	4.8
177.12755	4.7
181.04965	31.0
181.08624	20.7
183.11700	13.5
191.14310	24.1
201.12752	28.5
202.10634	2.7
209.15439	4.9
210.19041	2.7
212.09311	2.7
219.13818	48.4
227.89784	2.7
237.14842	86.3
255.06444	7.3
255.13760	3.6
255.15872	19.8
257.02109	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	255.1016
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.64685	0.6
51.25086	0.7
53.03946	1.8
55.01884	3.5
55.05518	0.8
59.01348	0.7
61.23393	0.7
67.01847	1.4
67.05491	3.2
68.99792	3.6
69.03424	3.0
69.07069	1.1
72.95383	0.8
79.05487	3.1
81.03423	13.2
81.07076	1.2
82.47697	0.7
83.04971	1.9
85.02899	2.9
91.05489	1.3
95.01276	0.7
95.04971	2.4
95.08615	1.0
97.02901	1.5
98.98473	5.4
103.03943	2.4
103.05475	2.5
105.07028	1.4
107.04967	1.5
107.08615	0.9
109.02891	4.2
109.10098	0.9
111.04436	0.8
113.44279	0.8
115.05457	9.1
121.06499	1.2
123.04408	2.1
127.03915	7.6
128.06212	5.8
129.06999	5.6
131.04942	2.6
131.08568	0.9
137.06042	0.7
139.05318	0.9
141.06995	5.3
142.07764	1.1
143.04959	5.5
143.08565	1.5
144.05687	2.3
145.06509	1.7
146.03575	1.1
147.04391	1.2
151.03896	2.4
152.06213	12.6
153.01822	4.6
153.06998	6.2
154.07794	2.8
155.04921	6.6
155.08533	1.7
156.05748	1.6
157.06520	4.1
158.07289	12.6
159.04414	1.1
161.06015	4.3
165.07007	15.4
166.07799	5.3
167.08574	27.2
168.09097	1.4
169.04993	2.0
169.06483	7.3
170.03703	1.0
170.07260	2.3
171.03036	1.6
171.04430	14.1
171.08047	4.4
171.11618	0.9
173.05971	3.2
174.06747	3.3
176.06328	1.9
177.06956	5.2
178.07756	1.2
179.08553	1.8
180.05670	1.1
181.06482	7.6
182.07164	1.4
183.04398	1.2
183.08101	4.5
184.05235	3.1
184.08818	7.9
185.06000	17.4
185.09575	2.5
185.13196	1.0
186.06784	21.8
187.06001	3.7
187.07545	5.3
193.06561	1.2
194.07271	6.3
194.96631	0.8
195.08066	36.1
196.05164	1.1
196.08879	3.8
197.05989	8.0
198.06720	1.4
199.03905	13.2
199.07552	6.8
199.11214	3.6
199.14786	0.9
201.09064	1.1
205.06497	3.3
209.05940	1.5
209.09549	5.6
211.07513	6.9
212.04839	0.8
212.08318	14.8
213.05531	5.2
213.09085	7.5
214.06259	54.1
215.06766	1.1
222.06781	2.2
223.07536	17.3
224.08318	3.4
225.05486	2.3
225.09073	2.6
227.07228	8.4
227.10660	48.0
229.32443	0.8
237.09093	5.5
239.06969	1.1
240.07808	9.0
255.06543	61.3
255.10172	100.0
255.17458	2.3
255.21065	3.2
256.06818	1.4
256.10413	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	255.0653
Annotation	Chrysin
Peak:m/z	Relative Intensity
52.23814	0.1
57.03357	0.2
62.17603	0.1
67.01872	2.4
68.99794	1.4
69.43563	1.1
76.85644	0.1
98.98486	0.2
103.05478	3.2
105.03399	1.0
111.00822	0.2
113.83079	0.2
114.73203	0.2
125.02420	0.2
129.01857	0.2
129.03381	1.6
147.04414	1.2
150.01994	0.1
152.06291	0.3
153.01846	8.8
153.06990	0.5
153.63287	0.2
171.02921	0.5
181.06555	0.3
187.07549	0.5
204.56429	0.1
209.05965	1.0
213.05493	0.3
231.06572	0.3
255.06541	100.0
256.06903	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	255.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01891	1.6
56.96576	2.5
57.03193	0.2
57.03447	3.1
59.04988	0.4
61.02921	1.1
69.03436	2.1
69.07066	0.4
70.95327	0.7
71.01356	1.1
73.02925	2.8
75.55954	0.2
78.03464	1.1
80.05028	2.6
81.03428	0.4
84.04463	0.3
84.08162	1.5
84.96056	0.3
85.02412	0.3
85.02911	3.6
85.89282	0.2
86.06099	0.3
86.09719	1.3
87.04464	0.7
87.10048	0.3
94.06568	0.3
96.04490	0.7
97.02902	1.6
98.32130	0.3
98.97594	2.6
98.98478	0.3
100.14000	0.2
101.00820	0.4
103.03956	0.4
106.02927	5.9
110.07206	0.4
110.97609	0.6
112.99137	0.3
115.03943	1.2
116.98631	0.9
119.01956	1.2
123.05563	100.0
124.03960	1.0
124.05927	0.7
127.00700	0.3
127.03982	0.2
128.98605	0.6
130.08673	0.3
130.93300	0.4
131.00192	0.3
133.05002	2.5
134.06044	0.3
134.52914	0.2
134.99695	0.4
140.00198	0.4
142.01740	0.3
143.00233	0.4
143.01949	0.2
156.07625	0.2
158.01389	0.3
158.99660	0.8
160.04448	0.2
161.01282	0.2
161.02969	0.4
162.03665	0.2
170.04933	0.3
177.00810	0.6
177.04170	0.3
185.02905	0.3
212.07123	0.7
213.05486	0.4
214.09378	0.3
219.01840	0.5
230.08102	0.3
232.10295	0.8
255.01778	0.3
255.08710	1.1
255.56161	0.2
273.08035	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	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
56.88941	0.3
56.96569	0.8
57.03444	3.2
60.38760	0.3
61.02924	0.9
69.03441	2.1
71.01351	1.1
71.57829	0.5
73.02920	3.2
77.30633	0.3
78.03471	0.9
80.05018	2.7
85.02913	2.8
87.04466	0.5
95.37907	0.3
96.04498	0.5
97.02894	1.7
98.97587	3.3
103.03941	0.3
106.02925	7.2
110.97588	1.1
112.89602	0.5
115.03966	1.6
116.98640	1.2
119.01920	0.8
123.05561	100.0
124.03947	0.5
124.05869	0.5
127.03928	0.5
128.98631	1.1
130.08640	0.4
131.01874	0.4
133.04977	2.0
143.01924	0.3
153.03896	0.3
155.02086	0.3
158.99712	0.9
170.99628	0.6
174.04552	0.4
174.55263	0.4
177.00757	0.5
183.04924	0.6
185.03041	0.4
189.00710	1.3
212.94838	0.4
219.01851	0.4
228.05423	0.5
237.02898	0.5
245.04903	0.4
255.06239	0.6
255.08539	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	254.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54473	0.4
51.78167	0.4
53.03957	0.8
55.05514	16.6
59.04749	0.5
59.05000	3.1
62.75787	0.4
70.02953	0.6
70.06599	1.0
70.92434	1.1
74.17738	0.5
79.05492	1.2
93.07043	0.9
95.04968	0.5
96.04518	0.6
98.98472	1.6
103.05465	1.2
105.07058	0.7
108.04481	0.6
109.02896	0.5
111.03197	3.8
111.04441	0.6
120.08110	4.5
121.06506	0.7
122.06084	0.6
125.05981	0.7
126.05524	8.9
126.06391	0.8
130.06540	1.1
133.05231	1.2
134.05988	0.7
135.08060	0.9
138.05527	1.1
139.07498	0.8
148.04771	0.5
148.06409	0.6
148.07581	11.4
154.05005	6.0
156.92267	0.5
158.06046	0.9
162.09099	0.5
163.07565	1.7
164.07089	0.8
165.04185	0.7
165.07867	1.7
166.05020	1.5
175.06380	1.2
176.07071	5.5
178.05006	1.2
179.09436	0.7
180.06532	0.7
180.10207	20.4
190.08549	1.1
191.06992	1.1
193.07387	2.9
194.05251	0.7
194.08124	1.8
208.09700	97.9
209.10106	1.6
226.10754	3.3
228.69101	0.5
254.10240	100.0
255.10654	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	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03933	4.1
55.01877	13.6
55.05515	11.6
60.73448	1.9
67.05520	21.2
69.03428	8.0
69.07066	14.7
71.04986	13.4
79.05495	33.5
81.07063	63.4
83.04978	7.1
83.08614	7.3
85.06533	9.8
91.05476	20.7
93.07058	58.9
94.95496	2.5
95.04952	16.6
95.08611	30.1
97.06538	18.9
98.20767	4.7
98.97853	3.9
98.98473	56.8
99.04462	15.3
99.08073	3.3
101.06046	2.4
105.07042	39.2
107.04941	4.7
107.08609	28.0
109.06522	32.1
109.10154	5.5
111.08066	8.6
113.06019	6.4
117.07028	5.9
117.14172	2.2
119.04919	4.0
119.08624	23.7
121.06516	82.7
121.10138	5.4
123.08048	8.3
123.11712	6.5
125.05967	4.9
125.09629	3.0
127.07568	17.3
129.07039	7.2
131.08557	8.8
133.06488	3.6
133.10136	19.9
135.04413	4.9
135.08044	17.1
135.11713	3.4
137.05960	3.9
139.07553	35.9
141.06937	3.1
142.07799	6.5
143.08559	14.4
145.10143	9.8
145.57347	2.0
146.20168	2.1
147.08043	7.9
147.11707	39.6
149.13278	3.6
155.08514	3.4
156.09384	4.5
157.10130	26.3
161.05965	3.0
161.13301	11.7
165.06996	2.7
165.12770	11.6
166.07809	3.7
171.11693	26.0
173.09659	5.9
173.13234	3.7
175.11186	33.8
181.10124	5.1
183.13905	2.5
184.08847	3.6
189.12762	37.9
193.12213	16.7
193.87657	2.0
199.11195	31.8
207.13788	10.0
217.12254	100.0
229.98059	2.2
235.13309	80.3
242.55519	2.1
251.27364	2.1
253.08627	3.2
253.14326	29.8
253.21707	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	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03942	3.8
55.01873	4.5
55.05521	5.1
65.03918	0.9
67.05509	13.4
69.03424	4.2
69.07073	5.6
69.10133	0.7
69.49837	3.0
69.50266	2.7
71.05003	9.4
77.03941	1.2
79.05497	24.2
81.07063	48.2
83.04976	5.4
83.08621	3.2
85.06530	4.2
91.05490	16.5
93.07051	40.9
95.04977	16.4
95.08618	18.2
95.09226	1.0
97.02822	0.8
97.06542	17.7
98.20824	1.1
98.98470	21.5
99.04475	6.8
101.06058	1.0
103.05452	1.3
105.07040	27.6
107.04964	7.4
107.08604	21.3
109.06528	34.0
109.10168	4.1
111.04420	1.0
111.08083	6.1
113.06026	4.4
115.05486	1.5
117.07025	3.9
119.04918	1.8
119.08585	17.9
121.06515	100.0
121.10142	2.8
123.04443	4.8
123.08077	5.8
123.11701	0.9
125.06010	4.5
127.07571	12.7
128.06244	2.3
129.07016	6.7
130.07825	1.2
131.08582	4.6
133.06541	4.6
133.10138	7.5
135.04443	7.2
135.08069	10.0
135.11717	1.1
137.05986	4.3
139.07559	23.0
141.05472	3.3
141.06978	1.7
142.07782	4.7
143.07060	1.5
143.08569	10.7
145.02875	1.0
145.10155	6.8
147.08073	5.1
147.11702	28.2
151.07585	1.3
151.11208	0.9
155.08574	2.4
156.09335	4.7
157.06548	1.9
157.08676	2.2
157.10139	15.6
158.07272	1.6
159.06551	1.4
159.07990	1.3
160.08795	1.4
161.05992	2.1
161.09631	2.1
161.13293	13.0
163.03915	1.7
163.11189	0.8
163.14832	2.2
165.07021	3.4
165.12775	5.4
166.07774	5.3
171.08076	1.4
171.11691	18.0
173.09656	2.9
175.11195	19.3
176.99011	1.2
177.05476	0.9
181.10115	5.9
184.08875	3.3
189.12761	24.6
191.14374	0.7
191.67720	0.8
193.12273	19.5
199.11198	35.0
199.13063	1.8
206.15472	0.7
207.13840	9.6
209.11615	0.9
211.13344	0.9
217.12260	87.1
218.12691	0.9
235.13313	37.1
253.08762	1.1
253.14340	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	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
64.39743	0.7
67.05505	1.5
70.93862	1.4
71.04984	0.8
76.40414	0.6
79.05504	6.9
80.05014	2.1
81.07050	1.1
87.00826	1.8
90.94347	0.6
91.05485	6.4
93.07047	13.8
95.04989	2.9
95.08633	0.8
98.98467	15.0
103.05472	16.6
103.06142	1.1
104.04973	0.6
105.04546	1.2
105.05785	2.5
105.07007	0.9
109.06503	0.9
110.06091	0.8
110.09704	0.7
117.03407	0.8
118.05713	0.8
118.06546	9.9
118.07346	1.1
119.07318	3.8
120.08109	100.0
128.05026	1.1
130.06516	2.1
131.04987	0.6
136.06181	12.7
145.02872	1.6
146.06004	14.3
146.07072	1.0
147.06702	0.8
148.07576	91.6
151.07581	1.1
152.10742	1.1
164.04262	0.9
164.07127	0.8
166.08603	4.3
173.50995	0.6
177.05522	3.6
180.10204	0.7
188.07088	12.5
196.06052	0.7
206.08134	44.0
234.13435	1.6
252.06113	1.0
252.08687	7.2
252.12190	0.8
252.14551	4.2
252.23134	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	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01871	0.6
55.05503	1.5
56.96559	1.9
57.03431	0.5
57.07072	1.2
60.64075	0.4
67.05507	2.9
69.03434	2.0
69.07066	1.1
69.83147	2.3
70.06595	1.5
71.05009	1.1
72.08162	0.6
73.06561	8.4
79.05499	1.1
79.66328	0.4
81.03423	0.6
81.07075	2.0
82.06587	0.7
83.04990	0.5
83.08621	0.4
84.08131	0.9
85.02921	2.7
91.05486	0.6
93.07032	0.6
95.04984	0.7
95.08622	1.3
97.02908	0.8
98.98472	100.0
99.04465	0.5
100.98910	2.0
105.07044	1.2
107.08629	0.9
109.06530	0.5
109.10148	2.7
110.07188	0.8
111.04435	0.4
112.07616	0.5
116.98726	0.7
116.99516	2.9
119.08614	1.4
120.08111	0.9
121.10183	0.5
123.04471	0.9
123.05464	0.4
124.86470	0.4
127.03954	2.0
128.07104	1.1
132.07164	0.4
133.10133	0.9
134.99628	0.6
135.11809	0.4
136.07475	0.5
137.06017	0.6
140.01060	0.6
141.05431	0.9
145.04987	0.5
155.39415	0.5
159.11682	0.6
162.05539	0.5
174.99260	1.4
176.98972	1.3
179.10590	0.9
182.99715	0.7
185.03053	0.7
194.09279	0.6
197.11760	1.8
199.14810	0.5
201.00777	1.2
202.46638	0.4
217.15999	0.6
219.01772	0.5
227.04201	0.5
235.16942	1.0
253.12251	0.7
253.18063	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	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03946	2.1
55.01855	0.7
55.05512	8.7
57.03452	0.6
57.07068	2.2
59.04980	0.6
65.03936	2.6
65.71304	0.6
67.05508	89.5
69.07068	6.4
69.64814	0.6
70.09499	2.8
71.05000	2.0
71.08638	0.9
77.01603	0.6
79.05496	17.9
81.07062	84.5
83.04988	2.2
83.08617	3.8
83.09062	0.6
85.06575	3.0
91.05483	6.9
93.07050	22.3
95.04974	1.1
95.08613	67.7
97.06554	1.7
97.10171	2.1
98.21413	0.8
98.98472	100.0
99.08070	0.7
101.06106	0.6
105.07039	5.2
107.08603	12.8
107.09292	1.0
107.50198	0.5
109.06520	1.5
109.10163	42.2
111.08116	0.7
113.05999	1.1
116.99535	1.6
117.07025	2.9
119.08594	4.9
121.06533	1.3
121.10152	12.8
123.08104	1.6
123.11720	21.5
125.09656	0.9
126.13902	0.5
129.07059	0.7
131.08575	6.7
133.10129	4.3
134.53175	0.6
135.08086	2.7
135.11702	12.5
136.11993	0.6
137.09648	1.3
137.13257	7.0
139.11266	0.7
140.01036	1.3
145.10118	4.0
147.11691	1.7
149.09633	4.3
149.13271	5.9
151.11214	1.8
151.14850	1.0
153.09091	0.7
153.12810	0.7
159.11694	5.4
163.03857	1.1
163.11194	4.5
167.10713	2.7
173.13277	3.4
174.99208	3.5
177.12729	3.9
181.12263	4.0
187.14851	0.7
189.16402	1.4
191.14339	1.2
191.17993	2.6
193.10178	1.3
195.11882	0.9
195.13812	4.0
205.19548	1.0
209.13277	0.8
209.15402	1.5
211.20021	0.6
215.17969	6.3
233.19035	6.7
251.05093	0.6
251.14235	1.7
251.16211	1.4
251.17975	2.4
251.20091	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03951	1.4
55.01868	1.6
55.05516	3.0
57.07063	1.3
59.04984	1.1
65.03922	1.3
67.05516	5.5
69.03419	2.6
69.07092	3.6
70.51456	1.9
71.04990	4.3
79.05499	12.3
81.07063	30.7
83.04962	1.5
83.08628	0.9
85.02914	1.2
86.61408	0.7
89.03918	2.4
90.36978	0.8
91.05481	5.1
93.07050	13.2
95.04975	3.5
95.08616	8.1
97.06543	3.9
97.10104	0.8
98.98474	100.0
99.04489	1.0
103.05475	0.9
105.07037	8.3
107.04955	3.9
107.08601	17.6
109.06538	2.3
109.10155	5.2
111.04420	1.1
111.08054	1.2
115.05448	0.8
116.99518	2.1
117.03377	4.2
117.07026	2.0
119.08591	10.4
120.86311	0.7
121.02885	1.4
121.06544	1.7
121.10146	5.4
123.08083	4.4
125.06008	5.1
125.09670	1.0
129.07022	1.0
131.04945	0.9
131.08594	3.1
133.06514	1.0
133.10126	4.2
135.04437	6.9
135.08081	2.1
135.11699	23.6
137.06001	1.2
137.09622	7.7
137.13275	1.5
139.07599	1.7
142.07726	0.8
143.08554	1.3
145.02861	5.2
145.06491	1.5
145.10141	8.3
147.08080	2.5
147.11690	1.3
149.09654	1.8
153.09019	0.7
153.12738	1.0
157.10112	0.8
159.11649	1.5
161.05965	0.7
161.09642	1.7
163.03917	17.1
163.11197	11.0
163.14775	1.0
165.09157	1.7
173.05962	0.8
173.09694	1.3
173.13338	2.5
174.99265	3.3
175.11108	0.7
177.05505	2.4
177.06920	0.7
181.12239	4.0
187.11127	1.0
187.14842	2.2
191.07138	0.7
191.10706	1.3
191.14352	4.8
205.06557	1.9
205.08527	1.2
205.15965	2.9
215.14307	1.5
223.07669	2.5
233.06126	0.9
233.08115	0.8
233.11751	1.6
233.15411	5.2
234.11299	0.9
251.05276	14.5
251.11794	1.8
251.16377	8.7
251.20270	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	251.1391
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
55.01866	0.5
55.05516	0.4
55.69383	0.3
55.93532	0.4
56.05050	0.4
56.96577	0.5
57.07061	0.3
58.06594	0.7
64.58069	0.4
67.05505	1.1
69.03434	1.0
69.07045	0.4
70.06590	1.3
71.57631	0.3
71.57973	0.3
72.08155	0.7
75.09248	1.1
78.85097	0.3
79.05505	1.2
81.03419	0.6
81.07056	1.2
83.04987	0.7
83.08617	0.4
84.04494	0.5
84.08160	0.8
85.02900	0.4
86.06075	0.7
86.09706	0.8
89.03919	2.4
89.10805	0.4
91.05480	1.9
93.07043	1.2
95.04964	1.2
95.08608	0.9
97.02877	0.5
97.06568	0.6
98.98471	100.0
100.07613	0.9
101.07139	0.4
103.05478	1.2
105.07031	1.5
107.04965	1.4
107.08589	0.6
109.06524	0.6
109.10159	0.6
116.99512	3.1
117.03387	10.0
117.07041	0.5
118.06520	0.3
119.04894	0.3
119.08582	1.3
120.08107	4.0
121.02896	0.5
121.06502	1.0
121.10159	0.4
123.08056	0.7
126.05562	0.4
129.07022	0.8
131.04942	1.1
131.08553	0.7
133.06517	0.6
134.03664	0.7
135.04448	1.0
135.08070	0.6
137.05925	0.4
143.08487	0.4
145.02853	29.9
145.10110	0.8
146.06033	1.1
146.81218	0.3
147.08026	0.4
147.11649	0.3
149.05984	4.2
149.09601	0.4
152.04716	0.3
157.06442	0.3
157.09981	0.4
159.11729	0.7
161.05991	0.6
161.13318	0.3
163.03868	1.6
163.07571	0.9
163.11162	0.4
166.03323	0.3
166.08676	0.9
173.05968	0.4
173.09563	0.6
173.13269	0.3
174.99220	3.2
177.05481	52.9
178.05870	0.4
187.11195	0.6
188.10730	1.6
191.07030	0.6
191.10706	0.7
205.06523	0.8
205.08534	0.6
205.12227	0.4
205.15973	0.4
208.95386	0.4
215.10649	0.5
215.14352	0.5
219.08995	0.4
223.07584	1.7
227.97188	0.9
233.05901	0.6
233.11755	0.8
233.15230	0.7
234.11261	31.6
235.11456	0.4
241.59535	0.3
245.92508	0.3
251.05165	0.3
251.07114	3.6
251.13849	6.2
251.16498	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	251.0552
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
55.05509	0.4
59.05006	1.7
63.32492	0.3
67.05508	1.1
69.07066	0.4
69.82812	1.5
71.05015	0.4
79.05507	2.2
81.07072	1.1
83.04974	0.5
89.03924	9.6
91.05500	1.1
93.07064	1.1
95.04988	1.2
95.08625	0.9
97.06535	0.5
98.98471	34.5
105.07048	1.3
107.04958	4.0
107.08617	1.0
109.06538	0.3
109.10151	0.6
115.05534	0.6
116.99590	0.4
117.03390	14.7
117.07082	0.4
117.09171	0.6
119.08582	0.9
121.02868	1.0
121.06527	0.5
121.10162	0.7
131.04988	0.5
131.08583	0.6
133.06493	0.4
133.10130	0.7
135.04424	27.7
135.08026	0.5
135.11656	0.5
136.04770	0.3
137.05986	0.6
137.09639	0.7
145.02852	20.2
145.10139	1.4
147.11624	0.4
149.09654	0.4
159.11650	0.5
163.03912	100.0
164.04259	0.8
170.90472	0.3
174.99240	0.6
175.07497	0.3
177.05460	0.5
177.06923	0.5
177.12726	0.3
181.06491	0.4
187.01552	0.3
187.11232	0.5
191.08540	0.6
195.08109	0.4
205.06483	1.2
205.12218	0.9
215.10818	0.5
223.07562	1.8
233.05826	0.4
233.11674	0.5
233.15279	0.8
236.08383	0.4
251.05492	89.9
251.16481	1.0
252.05852	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	251.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09478	0.7
55.01875	2.3
55.05510	1.2
57.07095	0.8
59.04996	1.0
67.05496	6.2
69.03435	2.3
69.07071	1.5
71.05001	4.4
71.59235	0.9
79.05507	5.4
81.07066	10.1
83.04990	1.9
85.06548	1.0
86.85067	0.7
91.05487	5.5
93.07065	8.5
95.04997	4.8
95.08614	5.2
97.06544	2.1
98.98477	100.0
99.04485	4.4
103.05475	1.0
105.07038	11.4
107.04962	2.4
107.08613	5.0
109.06521	6.1
109.10171	2.8
111.04404	0.8
111.08099	0.8
113.06009	1.2
115.05477	1.2
115.48904	0.6
116.99519	2.6
117.03417	1.0
117.07032	3.6
119.04923	1.8
119.08607	4.3
121.06505	4.1
121.10136	2.2
123.08058	2.0
123.11723	1.0
125.06046	1.2
127.07571	0.8
128.20386	0.7
129.07011	1.8
130.07811	2.2
131.08595	7.6
133.06544	1.6
133.10164	2.4
135.04442	3.0
135.08038	1.6
135.11691	1.5
137.05971	6.0
139.07574	1.8
141.07018	0.9
143.08582	1.8
144.09355	1.9
145.02856	1.7
145.06535	2.3
145.10147	20.8
147.08089	1.3
147.11687	1.8
149.06058	1.0
149.09656	1.2
151.07529	1.6
154.07846	0.8
154.77147	0.7
155.08647	0.8
157.08694	1.0
157.10097	1.1
158.07286	1.2
159.08104	2.8
159.11717	8.5
161.13266	0.8
163.03915	7.5
163.07600	0.7
163.11206	2.4
167.08530	0.9
169.10193	2.9
171.11736	0.9
172.08926	1.4
173.09647	9.5
174.99300	3.8
175.11209	0.9
177.12785	0.8
179.08652	1.1
187.11208	21.6
191.10690	8.3
197.09732	1.0
205.06548	1.9
205.12273	9.1
211.59840	0.8
215.10698	15.6
215.18074	1.0
223.07613	3.1
233.11774	8.5
233.15364	1.2
233.19164	1.2
234.11429	1.0
236.09462	1.0
251.05539	4.7
251.07468	2.5
251.12805	5.4
251.16173	0.9
251.18181	1.3
251.20232	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	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05516	15.3
57.03397	1.0
57.07077	5.6
67.05511	9.2
69.07072	9.6
69.35768	4.2
69.36198	4.8
71.08638	1.3
79.05502	5.8
81.07061	9.2
83.04996	1.1
83.08637	5.2
91.05488	7.8
93.07061	16.8
95.04982	2.5
95.08622	20.4
97.10168	4.5
105.07043	18.8
107.08609	21.5
109.09486	1.1
109.10178	16.6
117.06991	2.2
119.08595	29.8
121.06501	0.9
121.10159	14.9
123.08083	1.5
123.11723	4.2
125.09628	1.2
128.25558	1.1
131.08568	1.8
133.10146	34.3
134.10477	4.4
135.08038	1.8
135.11705	7.9
137.09625	1.7
143.08595	1.1
145.10114	3.4
147.08055	1.3
147.11705	21.6
149.09575	1.1
149.13281	4.5
151.11183	1.5
153.09090	5.8
159.11656	2.4
161.09624	2.1
161.13248	12.2
163.14828	2.5
165.09108	1.9
165.12794	1.2
167.10704	6.4
171.11661	1.0
173.13326	1.7
175.11182	1.8
175.14879	4.1
179.10728	2.0
185.13271	1.5
193.12302	4.9
203.17978	100.0
204.18359	3.0
205.19551	12.9
207.13855	1.2
213.16487	2.4
221.18996	7.0
231.13821	1.8
231.17372	6.1
249.14578	1.5
249.16467	1.6
249.18538	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	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05501	0.5
57.03444	0.7
57.44637	0.4
61.02905	0.6
61.91775	0.4
69.03434	3.6
70.06599	2.0
71.04431	0.9
71.04977	0.4
72.08161	0.6
73.16462	0.4
81.03438	1.3
85.02910	18.6
88.07635	100.0
92.75539	0.4
97.02896	2.9
98.98473	12.6
98.99121	0.6
99.62874	0.3
109.02888	2.2
112.14316	0.4
116.99536	0.5
121.02840	0.7
122.55275	0.3
127.03946	2.7
136.06212	1.1
136.60559	0.4
145.02859	0.4
145.04961	1.3
151.07549	0.5
158.06795	0.4
160.52910	0.4
163.03899	0.8
172.41248	0.4
174.99213	0.5
184.11613	0.4
203.88237	0.6
204.07405	0.4
206.11844	0.7
250.12857	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	251.0552
Annotation	Yunngnin A
Peak:m/z	Relative Intensity
51.33152	0.3
53.03954	0.5
55.01873	0.4
55.05531	0.4
56.96579	0.4
63.02390	0.5
65.03929	0.3
65.39754	0.4
67.05511	1.9
69.03400	0.7
69.07074	1.2
70.06473	0.6
70.06885	1.2
71.04999	0.6
73.25803	0.3
77.03944	0.4
79.05500	4.4
81.07059	5.3
83.04980	0.4
83.08617	0.4
85.06544	0.4
89.03917	8.6
91.05498	2.2
93.07051	3.0
95.04974	1.8
95.08615	2.7
97.06539	0.9
98.98471	36.6
99.04492	0.7
100.64072	0.3
103.05448	0.4
105.07037	3.5
106.73366	0.4
107.04286	0.5
107.04958	4.6
107.08592	2.5
109.06515	3.1
109.10188	0.9
115.05495	0.9
116.98659	0.5
116.99492	0.6
117.03384	13.8
117.07023	1.1
119.04959	1.5
119.08616	1.5
121.06502	1.4
121.09366	0.4
121.10155	1.4
123.04453	0.5
123.07997	0.4
125.05981	0.5
131.04959	0.6
131.08580	2.2
133.06522	0.4
133.10118	0.6
135.04424	28.4
135.08049	1.0
135.11644	0.7
137.05980	3.1
139.07532	0.7
141.07033	0.4
145.02852	21.4
145.06549	0.7
145.10147	2.6
147.04408	0.9
147.11684	0.7
149.06052	0.5
149.09613	0.7
155.08487	0.3
159.11682	1.7
163.03911	100.0
163.11185	1.6
164.04245	1.4
169.10147	0.6
171.11635	0.3
173.09605	1.3
173.13351	0.5
174.99240	1.0
177.05452	0.4
179.08606	0.4
181.12271	0.5
184.11296	0.4
185.37367	0.4
187.11183	2.7
187.14827	0.7
191.10680	1.1
197.09621	0.7
205.06494	0.8
205.08389	0.3
205.12231	0.8
205.15878	0.3
215.10696	3.0
215.17847	0.3
223.07564	1.3
233.11710	1.8
233.15388	0.8
233.18912	0.4
251.05499	93.5
251.16345	0.8
251.20067	0.8
252.05757	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	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
50.60892	0.8
53.03932	1.2
53.30189	0.8
55.05516	9.3
57.07062	2.3
62.87034	0.7
66.15228	0.8
67.05515	5.5
69.07072	6.1
70.92618	1.8
78.47525	0.8
79.05495	5.9
81.07059	8.7
83.08614	4.7
91.05484	5.7
93.07053	11.6
95.08617	16.9
97.06488	1.1
97.10173	4.2
105.07041	15.5
107.08611	17.1
109.10155	11.1
111.04455	1.0
111.08098	1.5
119.08587	29.1
121.10143	13.9
123.11686	3.4
125.05976	0.9
125.09615	1.1
131.08585	1.9
133.10141	31.9
135.08054	1.4
135.11696	5.0
137.13202	0.9
139.07536	1.3
145.10141	2.6
146.81520	0.8
147.11696	24.0
149.13268	3.9
153.09053	5.6
157.10172	1.1
159.11699	1.6
161.09630	1.2
161.13271	10.1
163.14832	2.3
165.09116	1.6
167.10710	5.3
167.46704	1.0
173.13263	1.7
174.14099	1.6
175.11197	2.3
175.14824	3.8
179.10687	2.7
189.16409	2.0
193.12177	3.8
203.17972	100.0
204.18336	1.9
205.19522	4.2
213.16414	2.1
221.19092	5.5
231.17421	5.9
249.14792	1.3
249.18526	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02370	0.8
53.03931	0.8
53.16869	0.6
55.05267	1.0
55.05513	12.7
57.03431	1.0
57.07081	4.5
59.04992	1.2
59.16689	0.7
61.60324	0.7
67.05505	5.4
67.39234	0.5
69.03440	0.6
69.07072	7.7
71.08646	1.0
79.05501	6.0
81.07061	10.3
83.04989	0.9
83.08620	5.4
91.05487	8.2
93.07047	12.0
95.04991	1.2
95.08611	18.5
97.06530	1.2
97.10169	5.0
97.59489	0.7
105.07028	13.0
107.08602	16.2
109.06490	1.8
109.10160	11.3
111.04411	0.8
111.08087	1.2
117.06996	1.1
119.08588	26.4
121.10142	12.8
123.11700	3.1
125.05990	1.1
125.09613	1.8
129.07030	0.9
131.08585	3.2
133.10136	30.3
134.10497	1.6
135.11713	6.5
137.05949	1.5
137.09625	1.2
139.02348	0.7
139.07544	2.0
143.08549	2.5
145.10179	3.8
147.08023	1.0
147.11699	24.2
149.13292	3.9
151.11203	1.3
153.09116	5.2
157.10141	2.1
159.08099	0.6
159.11674	2.4
161.09612	1.0
161.13274	10.2
163.14854	1.1
165.09193	1.3
167.10699	8.0
171.11630	0.9
173.13196	0.6
174.14026	1.0
175.11150	1.5
175.14798	4.4
179.10725	2.8
181.12219	1.1
185.13289	5.8
189.12798	0.8
189.16351	1.1
193.12265	7.5
203.14584	7.1
203.17964	100.0
204.18350	2.5
205.19516	7.6
213.16377	1.6
221.18993	5.8
231.17455	4.7
249.14766	1.9
249.16417	1.3
249.18521	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	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
52.99699	0.6
53.03930	0.7
55.05518	10.6
57.03432	0.7
57.07067	2.8
65.83196	0.7
67.05502	4.2
69.07068	5.8
71.05856	1.2
71.06203	0.9
71.08617	0.9
79.05504	3.9
81.07056	6.2
83.08628	4.2
88.56746	0.6
91.05477	4.8
93.07054	9.6
93.50003	0.6
94.17638	0.7
95.08613	15.7
97.06561	1.1
97.10171	2.5
98.20769	0.6
105.07037	12.0
107.08608	15.0
109.06521	0.8
109.10160	10.1
111.04465	0.8
111.08114	1.4
117.07056	1.5
119.08595	25.9
121.06529	0.9
121.10162	10.9
123.11709	2.4
124.08751	0.5
125.06003	1.2
125.09643	1.0
131.08519	1.3
133.10144	26.4
135.11722	4.2
139.07547	1.2
141.45239	0.6
145.10190	1.5
147.08113	0.7
147.11705	21.0
149.09680	0.7
149.13264	2.5
151.07516	1.3
151.11134	0.8
153.09142	5.5
159.11684	1.5
161.09619	1.3
161.13266	10.7
163.14787	1.8
165.09117	1.9
165.12857	0.7
167.10684	5.4
173.13222	0.7
174.14120	0.8
175.11208	1.1
175.14819	3.7
179.10698	2.4
181.12233	0.7
193.12283	2.8
203.17979	100.0
204.18294	2.0
205.19519	4.7
207.06467	0.6
207.13785	0.7
221.19077	4.7
226.04300	1.7
231.17439	4.2
249.16133	1.2
249.18550	15.5
262.05737	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	249.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85390	0.8
59.04988	1.1
69.03439	4.3
70.84058	2.0
72.04146	1.1
72.04523	18.7
72.08166	0.7
79.05486	0.8
81.03423	1.9
81.07101	0.8
85.02905	3.6
87.00834	1.0
87.04504	0.8
91.05486	2.4
93.07048	1.0
95.08624	0.9
97.02885	2.3
99.04466	1.3
100.03964	1.5
105.07042	2.3
109.02853	1.0
111.04446	0.7
115.05490	4.4
115.10661	0.8
117.05758	3.4
117.07000	2.6
118.05042	24.1
118.06548	40.7
119.08655	1.4
120.27093	0.7
127.03917	1.9
129.07028	1.0
130.06520	2.2
131.08537	1.3
132.08102	84.5
133.08443	1.1
133.10158	0.9
142.06538	3.4
143.07312	4.8
143.08432	1.3
144.08104	19.7
145.06544	1.3
145.10152	1.4
146.06023	82.5
147.06355	1.3
158.08441	1.0
160.07585	1.5
161.09666	0.8
165.07051	1.4
170.06020	6.8
183.72885	0.7
185.13303	1.3
188.07088	100.0
189.07484	1.2
193.06529	0.9
203.11844	6.0
213.12901	0.9
221.06064	5.2
231.13866	2.0
249.05489	4.6
249.07753	1.2
249.12424	16.7
249.14827	0.9
249.18568	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.9
55.01868	15.3
57.03446	9.3
61.02930	5.4
68.99796	10.1
69.03434	83.6
71.04988	10.7
73.02913	16.0
79.05511	9.1
80.72524	2.7
81.03428	51.4
81.07071	9.1
82.03731	3.0
85.02914	100.0
85.03432	5.5
85.81801	2.9
87.00835	44.4
87.04449	3.7
91.03940	3.2
91.05499	11.0
93.07063	10.2
95.04974	4.0
95.08632	7.7
97.02898	55.0
98.03213	5.2
99.04465	37.0
105.01877	18.2
105.07069	6.4
107.04948	4.2
107.08582	8.8
108.04482	6.9
109.02893	37.0
109.04776	12.6
109.10166	3.9
110.03266	2.5
115.03864	3.1
115.05462	3.1
117.07015	3.5
119.08630	6.1
121.10148	4.9
126.05548	5.3
127.03934	63.9
127.05882	8.9
129.01881	3.1
129.07043	4.3
131.08607	3.8
133.10162	3.5
135.04436	13.1
135.08066	3.6
145.04974	11.5
147.08084	3.8
147.11618	2.9
157.10132	3.3
159.02913	11.5
161.06125	2.7
163.03947	4.1
175.14803	3.0
185.13405	3.3
187.07655	3.2
189.09161	6.4
221.06017	8.3
231.04961	9.3
231.06981	4.5
231.13847	3.9
249.05484	9.3
249.11137	7.0
249.14865	7.8
249.18590	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03943	0.8
53.43444	0.5
54.98134	0.6
55.01868	0.9
57.03424	1.5
59.04989	1.3
59.51830	0.4
61.02911	1.6
66.35944	0.5
67.05496	1.1
69.03077	0.7
69.03434	10.6
69.07050	0.7
71.04999	0.8
71.13815	1.1
79.05491	1.4
81.03427	2.6
81.07032	0.9
83.04977	0.7
85.02911	29.1
87.00829	2.2
91.05489	8.3
93.07041	0.8
93.64880	0.5
95.04981	1.0
95.08588	0.8
97.02911	5.4
99.04444	1.7
103.05480	1.3
105.01807	0.9
105.07053	4.5
107.04970	1.9
107.08585	0.8
109.02895	1.9
111.00832	1.0
115.05455	5.6
116.06254	3.6
117.07045	4.1
119.04939	0.7
119.08571	1.5
121.06448	0.7
127.03934	9.4
128.06226	9.9
129.07016	21.1
130.07768	0.7
131.04926	2.4
131.07605	1.1
131.08574	18.3
132.05721	1.5
133.06487	3.5
133.10127	2.1
141.07008	10.4
142.07814	4.6
143.04926	0.8
143.08588	4.5
144.05719	9.2
145.04959	2.2
145.06488	6.6
145.10129	1.0
146.07274	3.9
147.04416	1.4
147.08049	1.5
152.06226	1.5
153.06976	2.2
155.06071	1.5
156.05673	2.1
157.06503	9.4
157.10156	0.8
158.07266	2.4
159.08063	28.3
160.05243	1.3
161.05998	3.8
161.09628	6.7
167.04922	0.7
167.07021	1.3
169.06487	1.5
169.07771	2.8
170.07288	8.3
171.02864	0.6
171.04445	0.9
171.08061	6.3
172.05254	3.3
173.05991	3.5
174.06725	2.5
175.07544	2.2
178.06218	1.3
185.13316	0.6
186.06789	0.7
187.07561	19.4
188.08238	0.9
189.05522	3.4
189.09103	10.6
189.10713	0.7
189.72380	0.5
190.06213	1.2
191.07057	1.5
193.08603	0.7
198.06807	2.5
199.07565	2.4
201.05467	1.4
203.06975	6.8
203.14375	0.7
204.07858	12.7
205.08607	1.9
206.09442	1.1
216.07846	2.8
217.08577	1.1
218.09407	0.8
219.10135	1.3
221.06093	0.9
221.08141	1.3
221.11714	2.2
231.10173	5.9
231.13815	1.5
234.08868	1.5
249.11243	100.0
250.11565	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61759	3.9
51.91987	3.0
53.03954	9.1
55.01868	13.7
55.80748	3.5
57.03436	15.3
59.04561	3.3
61.02922	5.4
62.86292	3.6
66.73983	3.3
68.99796	7.4
69.03076	5.4
69.03439	90.7
71.01329	3.8
71.04986	12.9
71.05531	6.8
73.02909	5.3
76.62238	4.3
78.96995	3.6
79.05515	4.1
81.03435	39.5
85.02418	7.7
85.02914	100.0
86.27649	3.5
87.00834	37.5
93.07079	4.5
97.02901	54.5
99.04462	36.0
99.06137	3.3
101.02380	3.3
105.01896	16.8
105.07029	6.0
107.08565	3.5
109.02894	24.6
113.06989	3.2
127.03929	68.8
135.04428	6.9
142.07826	3.8
145.04976	9.6
157.10214	4.6
231.05011	5.4
231.14052	4.1
249.05400	6.2
249.14870	5.9
261.92728	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01874	2.9
57.03440	10.0
57.07069	1.8
61.02917	4.3
67.05493	3.9
67.61018	1.5
68.99776	2.8
69.03435	89.2
69.07049	1.8
71.01362	1.7
71.04983	5.5
71.59100	1.8
71.59471	1.9
73.02914	3.2
79.05493	3.3
79.39489	1.6
81.03420	26.0
81.07058	3.8
83.01347	2.2
85.02909	100.0
87.00838	23.9
87.04449	2.5
91.05494	4.7
93.07032	6.8
95.04976	2.0
95.08605	3.8
97.02901	53.2
97.06516	1.6
99.04464	16.8
101.02370	2.5
105.01849	10.4
105.07011	3.8
107.04966	36.3
107.08604	2.8
109.02894	14.6
109.06502	2.9
115.03887	2.2
119.08599	5.8
121.10141	3.6
127.03924	73.8
129.07027	2.4
131.08592	2.6
135.04468	9.3
137.05995	1.8
143.08554	1.8
145.04987	14.4
145.10129	2.2
147.08047	2.9
157.10201	1.8
159.02831	2.0
161.09607	2.6
163.03860	2.0
185.13293	2.7
189.09102	3.9
219.63753	1.6
221.05969	3.5
231.04956	4.2
231.13785	2.6
249.05545	2.3
249.11169	7.6
249.14877	5.3
249.18494	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	249.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36491	1.7
51.06802	1.4
53.03946	9.4
55.01873	11.6
55.05493	2.2
57.03440	11.5
59.05004	15.0
61.02914	6.1
65.96580	1.4
67.05499	4.6
68.99773	4.6
69.03435	83.8
70.92641	3.0
71.01344	2.3
71.05009	8.2
73.02911	9.1
76.02333	1.6
79.05486	5.9
81.03418	46.7
81.07059	4.2
85.02910	100.0
87.00837	45.0
87.04468	12.1
91.05488	8.3
93.07027	6.0
95.04959	4.7
95.08599	4.5
97.02283	3.0
97.02902	53.9
99.04463	33.0
101.02348	3.1
103.03909	2.2
103.05470	1.8
105.01885	14.0
105.07029	7.1
107.04948	2.9
107.08593	3.2
109.02885	27.2
109.10131	3.1
111.04462	1.8
115.03969	3.1
115.05451	3.3
117.01843	1.9
117.07009	4.6
119.04915	2.0
119.08588	5.2
121.06481	2.1
121.10175	2.8
123.08096	2.2
123.11668	1.8
127.03922	67.1
128.06206	3.7
129.01846	2.8
129.06985	6.7
131.04895	2.2
131.08556	6.2
133.06509	2.2
133.10114	6.0
135.04391	3.7
135.11719	1.8
137.05894	1.7
141.07001	3.3
141.12248	1.8
143.08588	5.1
145.04979	15.5
145.10106	3.0
147.04430	3.5
147.08147	2.0
147.11659	1.9
149.09583	2.0
157.06516	3.0
157.10141	4.3
159.02890	8.1
159.08052	6.2
159.11699	2.8
161.06004	2.9
161.09642	5.8
163.03848	2.0
165.07069	3.1
171.08009	3.6
175.07542	3.5
185.13284	5.1
187.07567	5.2
189.03888	2.4
189.09135	5.1
189.16376	1.9
203.07045	3.1
203.14377	2.4
204.07773	2.4
213.04027	2.4
218.17926	1.6
221.06087	8.8
226.17589	1.7
231.05026	6.8
231.10170	3.1
231.13788	5.3
231.17365	3.9
243.01801	3.4
248.47691	1.9
249.05525	8.6
249.11171	21.2
249.14975	7.1
249.18533	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10658	2.1
53.03940	8.3
55.01865	12.7
55.05513	5.2
56.96552	3.6
57.03437	12.5
57.07085	2.9
59.05006	16.4
61.01154	3.7
61.02917	6.2
65.66674	2.3
67.05504	7.0
69.03430	69.5
69.43936	5.6
69.44345	16.2
71.04991	7.2
72.04522	4.9
73.02945	5.2
78.03789	8.2
79.05502	5.4
81.03422	38.3
81.07053	7.2
83.04996	16.2
85.02911	100.0
87.00832	38.5
91.05482	6.9
93.07041	7.3
95.04972	4.3
95.08597	7.1
97.02904	34.7
98.20779	5.1
99.04459	23.1
101.02439	3.5
102.03759	8.7
103.05470	2.8
105.01865	10.9
105.07036	9.3
107.04967	3.0
107.08586	7.8
109.02884	22.6
109.06537	2.4
109.10198	2.5
111.61840	2.3
112.07626	6.0
117.07034	2.4
119.08589	12.5
121.10129	5.4
127.03937	58.8
129.01874	3.6
129.07057	2.8
131.04921	5.0
131.06407	5.4
131.08562	3.8
132.04745	3.3
133.06497	3.3
133.10101	3.9
135.04433	6.1
135.08037	3.8
143.08569	3.8
145.04961	10.2
145.06499	2.4
145.10109	6.8
147.05852	2.8
147.08052	3.6
147.11662	2.9
149.07449	26.1
154.08652	22.0
157.10046	2.8
159.11757	2.6
161.09610	5.3
171.11746	3.2
175.04015	3.0
175.05405	7.5
175.07629	3.5
175.11296	3.2
175.14824	2.7
185.09674	3.2
185.13152	2.5
203.10680	4.8
213.03893	2.8
221.05861	5.5
231.05013	4.1
231.11601	15.5
231.13884	8.4
249.05470	3.4
249.07413	3.3
249.12589	9.5
249.14964	11.1
249.18562	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.1
55.01880	9.3
55.05510	2.8
57.03445	9.7
57.07085	2.7
57.63965	1.6
59.04994	2.8
59.83520	1.6
61.02918	5.6
67.05515	3.2
68.99813	2.9
69.03436	63.8
69.07070	10.1
69.58657	10.8
71.04993	5.5
73.02911	5.5
79.03796	1.5
79.05500	3.9
81.03433	28.0
81.07063	4.6
85.02913	100.0
87.00833	25.6
87.04462	3.0
91.05487	7.6
93.07050	5.4
95.04979	2.9
95.08592	4.3
97.02901	31.6
99.04461	16.9
101.02335	2.4
105.01855	7.8
105.07040	7.5
107.04981	5.0
107.08592	5.3
109.02878	17.5
109.10114	2.0
111.00777	1.9
115.05466	3.4
117.07044	3.5
119.04911	2.3
119.08601	5.2
121.06484	3.0
121.10137	3.6
123.04482	2.0
127.03933	45.1
128.06204	2.6
129.01837	3.0
129.07024	5.0
131.08571	5.2
133.10109	3.1
135.04387	5.0
135.08052	2.5
140.76694	1.7
142.07780	3.0
143.08545	5.2
145.04961	7.0
145.06465	2.2
145.10100	2.0
147.04433	4.9
147.08037	4.8
147.11688	2.2
149.09663	1.8
151.07600	2.1
157.10152	2.9
161.05956	3.2
161.09642	4.9
185.09660	1.9
185.13181	3.3
187.07642	3.4
189.09061	3.8
203.10744	3.3
203.14296	2.4
213.09044	1.8
213.12637	2.1
213.87456	2.0
219.10164	3.9
221.06030	4.3
231.04974	3.7
231.13858	5.3
249.05495	3.4
249.11267	5.4
249.14873	10.4
249.18542	4.8
252.97740	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.2
55.01865	10.3
55.05510	7.1
56.96574	2.3
57.03441	11.3
59.04997	12.3
61.02914	6.9
63.44738	2.3
67.05504	6.4
68.99778	3.6
69.03432	70.8
69.39825	12.5
69.40238	6.6
71.04976	8.8
72.04507	6.0
73.02908	5.6
78.03789	6.1
79.05479	6.9
81.03425	34.3
81.07037	6.5
83.04995	15.8
83.08622	2.5
85.02910	100.0
87.00829	32.4
87.04494	2.5
91.05463	8.6
93.07041	7.5
95.04961	7.0
95.08609	5.6
97.02905	40.2
97.06516	3.0
98.20769	4.3
99.04459	17.3
102.03766	7.4
105.01871	12.8
105.07017	8.3
107.04945	3.9
107.08620	3.7
109.02893	25.2
112.07680	5.3
117.06987	3.4
119.05003	3.9
119.08585	8.4
121.06509	4.2
121.10135	4.8
123.08063	3.0
127.03937	47.8
128.06213	3.5
129.07002	2.4
131.08569	4.8
132.04767	7.0
133.10136	6.7
135.04419	5.9
135.08043	3.0
137.06059	2.6
143.08548	6.2
145.04959	7.9
145.06490	2.7
145.10135	4.4
147.08070	4.6
149.07462	20.5
154.08623	22.2
157.10143	6.4
159.07922	2.5
159.11745	5.0
161.05948	2.4
161.09596	5.1
163.03954	2.5
171.11670	2.3
173.09610	2.7
175.03975	3.3
175.05426	7.0
185.13304	7.9
189.12709	4.9
195.11833	2.7
203.03201	3.2
203.10663	2.6
203.14244	4.8
213.09035	2.4
213.12827	3.5
213.16422	2.7
213.32903	2.2
221.05971	4.0
231.04904	4.1
231.11636	13.0
231.13841	12.2
239.43642	2.3
249.05501	6.8
249.07561	2.9
249.12617	9.2
249.14969	12.6
249.18573	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	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98062	19.3
51.54904	20.8
61.47767	20.0
70.10725	44.9
70.11101	30.9
90.31265	24.5
94.93027	54.1
98.97580	100.0
116.98631	38.5
124.11256	20.6
158.99678	60.4
172.81506	21.4
177.00703	33.0
193.91444	25.8
202.23685	24.5
249.03716	98.6
256.72812	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	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09875	41.9
56.96578	55.1
59.09721	39.5
65.59349	36.5
68.81115	48.0
71.18553	45.2
71.18859	48.4
89.11530	45.6
98.97604	55.5
100.11926	43.3
180.93808	40.6
184.02759	40.8
202.95863	44.3
207.74715	38.8
232.80824	38.2
249.03787	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01874	3.4
57.03436	8.7
61.02923	5.8
67.05505	4.5
69.03431	86.6
69.07063	3.2
69.35323	8.7
69.35743	6.0
71.01337	1.6
71.04988	6.3
72.25078	2.4
73.02917	2.1
75.84428	1.6
79.05485	4.6
81.03423	30.7
81.07066	6.8
83.01348	3.6
85.02909	100.0
87.00836	22.6
87.04427	1.7
91.05473	4.9
93.07047	6.7
95.04954	2.0
95.08631	5.4
97.02898	52.3
99.04467	15.6
101.02411	2.6
105.01858	9.4
105.07055	6.5
107.04971	7.8
107.08601	6.2
109.02875	11.9
109.10188	1.7
112.73579	1.9
114.85272	2.1
115.05450	1.8
117.07005	3.1
117.81590	2.0
119.08591	5.7
121.10143	3.3
125.84921	1.9
127.03929	64.7
129.07022	2.2
131.08559	3.3
133.10152	5.4
135.04419	7.2
143.08583	2.2
145.04990	18.1
147.04439	2.7
147.08119	3.9
147.11662	3.1
157.10168	3.0
159.11729	3.1
161.09663	2.0
163.03880	2.9
165.06966	3.3
185.13306	2.7
187.07571	2.0
189.09065	1.8
203.14549	1.7
221.06056	3.3
223.10217	1.8
231.04948	4.4
231.13805	2.5
249.05437	3.5
249.11198	7.9
249.14877	3.9
249.18507	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	249.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98826	0.9
55.01869	2.2
55.05505	3.4
56.96569	51.3
57.03429	2.8
57.07060	1.0
59.04985	2.8
61.02916	3.3
62.46688	0.9
67.05504	1.7
69.03438	8.0
69.07085	1.4
69.41225	0.9
69.95470	3.0
69.95873	1.6
70.06593	2.8
70.98127	2.6
71.01360	1.1
71.04973	1.6
71.06902	0.9
71.95259	2.8
72.08150	1.1
73.02927	5.1
73.06551	1.3
74.97599	3.5
79.05478	2.3
81.03420	3.0
81.07062	2.5
83.04946	0.9
84.04536	1.3
84.08138	2.5
84.96033	4.2
85.02916	12.9
85.06541	1.1
86.09709	1.2
86.97604	1.3
87.04476	2.1
88.99171	2.3
91.05495	1.6
92.80697	1.0
93.07036	1.4
95.08610	1.6
97.02891	12.3
98.97588	100.0
99.04452	2.6
100.99144	3.8
101.00877	2.1
104.01202	1.2
105.04514	1.6
105.07051	3.1
106.02911	1.0
107.04981	1.1
109.02878	2.8
110.07199	1.6
110.97584	8.1
112.99154	3.0
116.98627	70.6
119.00183	2.8
119.01903	5.4
119.08570	2.0
121.01694	1.5
121.02932	1.0
121.06511	1.0
127.03948	4.6
128.02321	1.1
128.98596	10.0
129.07021	1.7
130.06468	1.2
131.00171	10.5
131.01869	1.3
131.08517	1.0
132.97975	1.1
133.06554	1.1
134.99666	37.3
140.00185	1.7
140.02304	1.1
143.00192	3.1
143.01881	1.3
143.08476	2.0
144.98065	2.7
145.01677	1.9
145.05006	2.3
146.99675	10.2
147.03209	2.2
147.04410	1.4
149.00085	2.0
149.01225	25.7
149.02519	1.6
150.99138	4.8
153.00696	4.8
154.03767	5.7
155.04654	4.4
156.03622	2.3
156.98111	3.7
158.01378	1.1
158.99670	37.7
161.01241	5.8
161.02911	3.1
161.04860	2.4
162.99126	3.5
163.02795	4.0
164.05190	1.7
165.00766	6.0
165.98454	1.3
167.02295	11.3
168.03645	5.2
168.05371	7.6
169.00255	1.7
170.99690	1.8
172.02870	1.0
173.01283	1.1
174.99173	18.0
175.02849	1.7
177.00725	59.9
177.04163	10.4
177.05966	7.9
181.00166	1.6
184.04915	1.2
188.55037	1.3
189.00699	14.6
189.02388	1.8
189.04298	2.7
191.02289	3.7
191.03896	2.3
191.05690	1.7
191.10425	1.1
193.00214	19.3
195.01808	4.3
200.02328	3.8
200.04259	1.4
201.00668	1.6
202.98730	1.1
203.02196	1.5
204.05420	1.1
205.00206	1.7
207.01828	11.1
207.05431	3.8
219.01811	3.5
224.99156	3.2
225.02773	2.8
226.05881	2.2
231.01645	1.7
231.13876	3.8
237.02806	2.3
248.95316	9.3
248.99042	1.4
249.02812	20.7
249.06334	2.8
249.08688	1.4
249.11221	1.1
249.14897	2.8
267.03873	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	247.2058
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03941	2.4
54.74701	1.1
55.01867	2.6
55.05270	1.6
55.05517	26.7
57.07069	2.7
58.98276	1.2
67.05172	1.4
67.05513	17.8
69.03433	2.5
69.07066	7.0
69.40294	9.7
71.04990	2.1
79.05068	2.5
79.05500	41.9
81.03421	1.8
81.07067	16.3
83.04984	3.6
83.08607	4.0
85.36416	1.2
89.04518	1.2
89.81446	1.4
91.05484	15.0
92.30528	1.2
93.07054	25.6
95.04967	3.7
95.08608	11.4
97.06494	1.5
97.10173	6.7
98.21442	2.2
98.98472	1.8
101.41896	1.4
105.07036	16.3
105.24751	1.1
107.04966	39.4
107.07954	2.0
107.08604	21.7
109.06498	4.0
109.10159	10.3
115.03144	1.2
117.07008	5.6
119.08604	13.4
119.26394	1.1
121.06505	5.2
121.10169	13.4
123.08065	1.9
123.11715	2.8
125.09615	3.9
129.07024	2.6
130.07729	1.4
131.08571	15.6
133.10149	11.1
135.08080	2.7
135.11725	7.0
135.12582	1.2
139.11157	1.7
143.08595	2.0
145.10150	14.9
147.08104	1.5
147.11742	6.0
149.09633	100.0
149.13254	3.2
151.07437	1.2
151.11172	1.8
155.08617	1.2
157.10118	3.0
159.08075	3.0
159.11728	10.0
161.13275	3.1
163.11185	5.1
168.09299	1.6
173.13313	6.0
175.03877	1.6
175.14847	1.6
177.09201	1.7
177.12732	2.6
183.11667	3.0
186.14012	1.8
187.11218	2.5
187.14828	2.6
189.16286	1.7
201.09013	1.4
201.12750	5.3
201.16403	31.6
203.18013	3.0
204.95273	1.3
205.15837	1.7
217.10315	1.3
219.17421	1.9
229.12212	4.8
229.15822	1.5
229.19510	6.7
247.09740	1.8
247.13266	3.4
247.16994	13.9
247.20590	96.1
248.20601	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	248.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	37.7
57.03432	1.9
61.02910	2.0
69.03435	1.8
69.88542	4.1
70.98093	1.1
71.95262	3.1
73.02896	2.8
74.97582	1.1
81.03370	1.1
83.97588	1.4
84.96041	2.0
85.02902	3.6
86.09697	5.9
95.06117	1.4
97.02892	2.5
98.97590	100.0
101.00837	1.1
102.26824	1.1
110.97575	1.4
112.00696	1.8
114.49495	1.0
116.00195	2.0
116.98632	53.8
119.01974	1.3
128.98564	1.7
131.00134	1.8
134.01233	1.0
134.99667	17.3
140.00159	1.5
140.03839	2.3
142.01756	1.4
142.05424	1.9
144.03287	1.2
146.99577	1.0
153.00679	1.6
154.03836	1.0
156.48016	1.0
158.04926	3.6
158.99661	2.9
160.06456	3.7
161.01274	1.2
161.02954	1.6
163.04387	1.1
170.04930	2.1
170.99757	1.1
171.03291	1.9
174.99153	1.1
177.00755	2.7
188.02185	1.0
188.05939	3.6
189.00699	1.9
189.04341	9.0
206.01671	1.2
206.07011	7.0
207.01854	1.3
207.05392	4.7
219.01695	1.3
224.02649	6.4
224.08070	8.6
230.07010	29.7
231.05438	1.6
248.08086	54.4
266.09164	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	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.72368	0.5
53.03954	1.1
55.01873	1.4
55.05515	3.2
57.03440	1.0
57.07085	2.5
59.05016	0.6
67.05511	4.1
69.03450	4.0
69.07071	4.9
69.52744	3.9
71.05004	0.6
73.02934	0.7
73.73540	0.5
79.05504	3.9
79.05882	0.6
81.03398	0.5
81.07076	5.7
83.04954	0.5
83.08612	1.7
83.59135	0.5
85.02908	1.0
85.06567	0.5
87.00854	1.3
91.05492	5.6
93.07061	7.2
95.04994	1.2
95.08617	7.8
97.02901	4.2
97.06550	0.8
98.98488	0.8
103.05476	0.6
105.07048	10.7
106.07339	0.6
107.04955	0.9
107.08614	7.4
109.02853	0.8
109.10172	3.1
113.02357	1.0
115.03922	2.6
115.05462	1.3
117.07018	3.6
119.08593	10.3
121.02921	1.0
121.06543	1.5
121.10177	3.9
123.11744	1.5
125.02374	2.2
128.06264	0.9
129.07016	1.1
130.07805	1.3
131.04906	0.6
131.08583	12.0
131.65234	0.5
132.08960	0.6
133.06509	0.7
133.10156	9.6
135.04408	0.7
135.11711	1.5
141.07001	1.2
142.07874	0.6
143.03398	4.1
143.08565	1.6
145.06483	1.4
145.10143	22.8
147.04425	0.7
147.08052	1.0
147.11696	3.7
149.06010	0.9
149.09644	1.0
149.13269	1.3
155.08568	2.4
157.10156	1.6
159.08087	2.1
159.11719	10.1
161.04507	3.5
161.05853	1.0
161.09621	0.9
161.13251	1.3
163.07585	1.1
165.09189	0.7
169.10176	0.6
171.11818	0.7
173.06059	1.2
173.09703	3.0
173.13284	7.1
175.07565	0.9
175.14810	0.8
177.09131	2.0
179.10678	2.7
183.08124	0.8
183.11720	0.9
185.13313	1.5
186.14079	1.6
187.07561	1.8
187.11208	1.1
187.14857	2.3
191.10689	2.1
199.14819	0.8
201.09178	2.1
201.12669	3.1
201.16409	100.0
202.16727	1.9
203.17967	2.6
205.04939	0.7
205.12254	0.7
211.07542	0.9
211.14839	1.4
219.13866	0.6
219.17412	4.5
229.08609	1.2
229.12254	2.4
229.15846	2.8
247.05951	0.6
247.09836	1.7
247.13097	2.6
247.16969	30.3
247.20842	1.4
247.24225	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	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05517	0.9
57.07064	0.9
63.72221	0.3
65.03945	0.5
67.05522	2.4
69.03445	0.7
69.07071	5.0
70.92839	1.0
79.05486	2.0
79.15591	0.4
80.65939	0.4
81.07068	4.0
82.47791	0.4
83.08624	0.7
91.05490	5.3
93.07056	5.0
95.04954	0.8
95.08620	4.8
97.02887	0.4
97.06521	0.5
98.00715	0.4
105.07039	9.1
105.86451	0.5
107.04993	0.4
107.08605	6.1
109.10165	1.9
117.07043	3.3
119.08591	7.8
121.02866	1.0
121.06487	0.8
121.10157	1.8
125.06021	0.6
129.06961	0.8
130.07811	0.7
131.08578	10.8
133.10141	7.4
135.08073	0.7
136.41783	0.5
141.07008	0.4
143.08595	1.3
144.09294	0.7
145.10135	22.0
147.08020	1.0
147.11719	3.4
149.09583	0.7
157.10098	1.2
157.71046	0.4
159.08060	0.7
159.11702	9.9
161.09586	1.0
161.13235	1.3
162.20035	0.4
163.07550	0.5
163.11157	0.7
169.10144	0.5
171.11655	0.8
173.09630	0.8
173.13268	4.9
177.09158	0.9
179.10724	3.2
183.11676	0.5
185.13319	0.5
186.14047	1.6
187.11284	0.8
187.14824	1.0
191.10680	1.7
199.14938	0.7
201.16400	100.0
202.16777	1.2
203.17950	3.2
211.14748	0.8
219.17488	3.9
229.15913	1.7
247.16965	29.6
248.17337	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	247.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01871	0.9
55.05503	2.4
57.07074	1.3
67.05508	4.4
69.03416	2.3
69.07069	5.5
69.52838	4.5
71.01349	0.5
79.05504	3.2
81.03404	1.0
81.07062	6.0
83.04972	0.9
83.08627	1.0
84.64595	0.5
91.05490	5.6
93.07053	7.2
95.04944	1.2
95.08609	8.6
97.02885	2.0
103.05492	0.6
105.07043	9.8
107.04929	1.1
107.08594	8.5
109.06503	1.4
109.10165	3.6
115.05486	0.8
117.06993	3.5
118.97256	0.5
119.08593	10.8
121.02893	1.1
121.06493	1.5
121.10149	4.0
123.08071	0.6
123.11713	1.0
123.41041	0.6
125.09677	0.6
128.06256	0.9
129.07007	1.5
130.07817	0.5
131.08583	13.5
133.10143	8.5
135.08057	1.2
135.11671	2.2
137.06023	0.6
141.06985	0.8
143.03377	0.9
143.08557	2.5
144.09389	0.7
145.06554	0.8
145.10139	25.2
146.00754	0.6
146.10851	0.8
146.15028	0.6
147.08061	1.1
147.11685	3.7
149.09637	1.1
149.13300	1.3
155.08562	0.6
157.10181	1.4
158.10869	0.8
159.08046	1.8
159.11716	12.0
161.09622	1.4
161.13263	1.8
163.07629	0.7
163.14819	1.1
165.09207	1.0
171.11713	0.9
173.05959	1.1
173.09618	2.4
173.13255	7.6
175.03903	0.7
175.11169	0.8
177.09064	1.3
179.10658	2.7
183.11729	1.8
187.11143	1.0
187.14841	1.7
191.10678	2.1
201.12643	2.3
201.16399	100.0
202.16711	1.0
203.17929	2.5
211.14853	0.7
219.17477	4.5
229.12184	1.6
229.15932	2.9
229.19513	1.2
247.13245	3.7
247.16957	30.3
247.20546	1.5
247.24269	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	247.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35875	1.3
52.40033	1.2
53.03942	1.8
55.05526	12.4
65.03957	1.5
67.05503	4.6
69.07072	7.5
70.49879	3.8
71.08615	1.2
73.02959	1.1
79.05488	5.2
81.07077	7.8
83.08620	3.7
91.05486	13.1
93.07056	21.3
95.08617	16.3
97.10146	3.1
100.16526	1.1
105.07036	33.4
107.07872	1.5
107.08601	27.1
109.10175	6.7
111.08086	1.9
115.05475	2.3
117.07034	5.0
119.08594	49.4
121.10149	9.6
123.11679	1.5
129.06976	2.1
130.07782	2.6
131.08571	30.9
133.10150	63.5
135.08061	1.6
139.07516	1.5
143.08580	1.6
144.09357	1.9
145.10133	38.8
147.11713	9.7
149.09666	4.1
149.13158	1.5
151.07564	4.6
153.09119	2.9
153.55865	1.4
157.10147	4.7
158.10907	2.7
159.08054	3.2
159.11720	35.4
161.09615	1.3
161.13304	8.1
163.07574	9.8
165.09100	3.1
171.11719	3.4
172.12471	3.1
173.09630	5.7
173.13274	16.0
175.14854	2.0
177.09129	40.0
179.10660	2.1
180.57266	1.3
183.11740	1.7
185.13295	1.5
187.11272	3.7
187.14819	2.7
191.10667	5.8
201.16406	100.0
202.16852	1.9
203.17970	9.8
205.12297	1.9
211.14964	2.2
219.17578	2.9
229.12453	1.7
229.15874	16.8
247.13087	1.9
247.16969	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	247.1696
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05521	1.9
57.07074	0.6
57.49968	0.4
60.01506	0.4
67.05508	2.2
69.06718	0.4
69.07069	4.5
70.31807	0.8
70.32166	0.9
72.16849	0.3
79.05489	2.4
79.57098	0.3
81.07067	3.2
83.08621	0.9
85.06595	0.4
89.30280	0.3
91.05489	3.6
93.07057	4.3
95.04923	0.7
95.08615	5.6
97.06557	0.5
98.20903	0.4
103.05403	0.5
105.06386	0.6
105.07037	8.3
107.04972	0.5
107.08597	6.5
109.06504	0.6
109.10166	2.0
115.05421	0.5
117.07004	1.6
119.08588	7.8
121.10146	2.9
129.07007	1.0
130.07803	0.6
131.08583	10.5
133.10143	7.6
135.08049	0.8
135.11646	0.7
143.03391	0.4
143.08548	1.1
144.09349	0.7
145.10139	20.0
147.04321	0.4
147.08020	0.5
147.11711	2.9
149.09673	0.5
149.13309	0.5
155.08626	0.4
157.10144	1.5
158.10866	0.4
159.08058	0.7
159.11713	9.0
161.09637	1.1
161.13243	1.8
163.07539	0.8
163.11127	0.5
163.14799	0.5
169.10068	0.5
171.11618	0.4
173.09673	1.6
173.13283	6.1
174.13589	0.4
177.09177	2.9
179.10692	3.1
183.11659	0.7
185.13278	0.5
186.14020	1.2
187.11182	1.2
187.14810	0.6
191.10710	1.9
192.83290	0.4
199.14769	0.4
201.16400	100.0
202.16704	1.8
203.17943	3.3
211.11099	0.5
211.14973	0.5
219.17450	4.8
229.08601	0.5
229.12218	1.2
229.15872	2.2
247.13153	0.9
247.16963	27.3
247.24469	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05509	3.9
57.07074	2.0
59.04995	0.9
67.05511	3.9
69.07069	5.2
71.18748	1.7
71.19090	1.3
73.02953	0.8
79.05473	5.1
81.07066	6.9
83.08633	1.8
91.05484	9.9
93.07056	13.5
95.04983	1.4
95.08610	10.9
97.06527	0.9
97.10153	1.6
98.98481	4.4
99.04530	1.5
105.07037	18.5
107.08604	14.9
109.06536	1.3
109.10169	3.9
116.06182	0.9
117.07003	4.9
119.08592	22.4
121.10155	6.3
123.11726	1.4
125.06087	1.1
131.08575	18.8
133.10144	30.4
135.08102	2.9
135.11707	1.2
139.07561	1.4
141.06982	1.0
143.08542	1.9
144.09311	1.3
145.10123	30.3
147.11690	5.8
149.09633	3.0
151.07541	1.1
155.21582	0.9
157.10141	3.0
159.08063	3.5
159.11702	19.2
161.09598	1.8
161.13251	5.0
163.07533	4.3
165.09125	1.7
171.11781	1.2
173.02153	1.0
173.09653	3.9
173.13235	10.5
177.09114	15.8
179.10693	2.6
186.14079	1.7
187.11226	2.1
187.14806	1.6
189.16414	1.1
191.10674	3.2
199.14932	1.5
201.16399	100.0
202.16611	1.7
203.17975	5.0
217.10028	1.2
219.17366	4.4
229.10194	1.7
229.12231	1.4
229.15865	7.0
229.19513	1.8
247.13132	1.8
247.14641	0.9
247.16956	25.9
247.20714	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	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.99438	0.8
55.01851	0.9
55.05521	5.6
57.07068	1.8
66.61269	0.9
67.05503	6.6
69.07076	5.0
69.91515	3.2
74.60757	0.8
79.05495	6.7
81.07068	8.4
81.40576	0.9
83.08619	3.1
91.05501	10.5
93.07053	14.2
95.04967	2.3
95.08624	12.4
97.10072	0.8
98.98453	2.3
99.04406	1.0
103.05455	1.4
105.06380	1.3
105.07046	18.9
105.73875	0.8
107.05011	1.0
107.08611	16.2
109.06550	1.5
109.10171	5.1
111.08117	1.1
117.07032	4.3
119.08594	26.2
119.68057	0.9
121.06531	2.1
121.10159	7.8
125.06034	1.4
129.06985	2.6
130.07822	1.5
131.08578	23.4
133.10141	28.6
135.08063	2.0
135.11697	1.9
136.80981	0.7
139.07541	1.9
141.07031	0.7
143.08549	1.9
144.09377	1.6
145.10143	30.6
147.08144	1.6
147.11702	6.7
147.49312	0.8
149.05946	1.0
149.09628	2.3
149.13261	1.5
151.07550	1.5
157.10130	3.1
158.10895	1.1
159.08049	2.8
159.11703	22.1
161.13295	4.9
163.07542	4.1
163.11203	0.9
167.13596	0.8
169.38142	0.8
171.11668	1.0
172.12523	0.8
173.09647	3.8
173.13309	10.8
175.14822	1.1
177.09143	15.9
179.10759	1.4
183.11624	1.0
186.14014	2.1
187.11163	2.7
187.14879	1.4
191.10677	2.9
193.59935	1.0
193.61615	0.8
201.12619	2.8
201.16405	100.0
202.16679	1.3
203.18013	5.9
211.14819	1.2
219.17471	5.8
229.12366	1.4
229.15858	7.9
229.19511	1.3
247.13292	2.5
247.16965	31.0
247.20605	3.8
247.24374	0.8
250.58766	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05503	9.4
57.07072	3.1
59.05010	2.7
61.80531	1.9
65.36581	2.0
66.07153	2.1
67.05507	14.1
69.03423	3.4
69.07070	7.8
69.90314	7.5
69.90734	3.4
72.22503	1.9
79.05497	7.5
81.07045	14.7
83.08621	6.2
91.05489	17.1
93.07054	27.5
95.04911	2.8
95.08610	22.3
97.10175	2.9
98.98461	2.6
105.07037	30.6
107.08611	25.2
109.06516	2.6
109.10149	9.7
117.07012	9.0
119.08581	40.6
121.10172	11.4
125.09669	3.2
131.08585	25.5
133.10144	50.6
135.08049	3.8
135.11668	4.7
139.07460	2.9
145.10135	36.8
147.11688	8.5
149.05962	3.9
149.09610	4.3
151.07520	2.7
155.08521	2.6
157.10106	7.6
159.08060	8.6
159.11694	34.6
161.13290	6.8
163.07547	7.1
173.09695	7.4
173.13264	22.1
175.28131	2.2
177.09108	32.4
187.11191	4.1
187.14857	3.7
191.10619	5.3
197.52428	2.1
201.16406	100.0
203.17958	9.9
217.10156	4.8
219.17418	3.6
229.12259	5.9
229.15918	16.9
229.19504	5.0
232.12447	6.3
247.13011	4.4
247.14848	6.3
247.17007	28.8
247.20479	8.4
247.24278	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	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.06186	0.4
55.05497	1.4
67.05508	2.6
69.07069	3.5
69.80779	1.2
69.81169	1.0
71.08612	0.4
79.05490	2.0
81.07049	5.5
83.08597	0.8
91.05483	4.0
93.07049	4.8
95.04970	0.4
95.08609	5.9
105.06374	0.7
105.07040	8.9
107.08603	7.7
109.06533	0.6
109.10160	2.9
115.05476	0.5
117.06995	2.0
119.08583	11.0
121.10141	3.5
122.17503	0.4
123.08081	0.6
129.06961	0.6
129.40840	0.4
130.07793	0.5
131.08577	17.4
133.10150	6.7
135.11734	0.6
139.07584	0.5
143.08580	1.0
144.09343	0.6
145.10135	25.4
147.08054	0.5
147.11670	4.0
151.07570	0.5
157.10144	1.1
159.08081	0.7
159.11708	14.6
159.13017	0.8
161.13257	2.9
163.07507	0.7
171.11723	0.7
173.09618	0.6
173.13280	5.0
175.14853	0.8
177.09131	1.5
179.10674	1.3
186.14044	1.6
187.11079	0.6
187.14810	0.7
191.10718	1.6
194.41983	0.4
201.16399	100.0
202.16724	0.7
203.17966	3.5
219.17471	5.3
229.12303	0.6
229.15910	1.7
229.19525	0.8
247.16951	27.6
247.20763	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03932	0.6
55.01871	0.9
55.05503	2.4
57.07074	1.3
67.05508	4.4
69.03416	2.3
69.07069	5.5
69.52838	4.5
71.01349	0.5
79.05504	3.2
81.03404	1.0
81.07062	6.0
83.04972	0.9
83.08627	1.0
84.64595	0.5
91.05490	5.6
93.07053	7.2
95.04944	1.2
95.08609	8.6
97.02885	2.0
103.05492	0.6
105.07043	9.8
107.04929	1.1
107.08594	8.5
109.06503	1.4
109.10165	3.6
115.05486	0.8
117.06993	3.5
118.97256	0.5
119.08593	10.8
121.02893	1.1
121.06493	1.5
121.10149	4.0
123.08071	0.6
123.11713	1.0
123.41041	0.6
125.09677	0.6
128.06256	0.9
129.07007	1.5
130.07817	0.5
131.08583	13.5
133.10143	8.5
135.08057	1.2
135.11671	2.2
137.06023	0.6
141.06985	0.8
143.03377	0.9
143.08557	2.5
144.09389	0.7
145.06554	0.8
145.10139	25.2
146.00754	0.6
146.10851	0.8
146.15028	0.6
147.08061	1.1
147.11685	3.7
149.09637	1.1
149.13300	1.3
155.08562	0.6
157.10181	1.4
158.10869	0.8
159.08046	1.8
159.11716	12.0
161.09622	1.4
161.13263	1.8
163.07629	0.7
163.14819	1.1
165.09207	1.0
171.11713	0.9
173.05959	1.1
173.09618	2.4
173.13255	7.6
175.03903	0.7
175.11169	0.8
177.09064	1.3
179.10658	2.7
183.11729	1.8
187.11143	1.0
187.14841	1.7
191.10678	2.1
201.12643	2.3
201.16399	100.0
202.16711	1.0
203.17929	2.5
211.14853	0.7
219.17477	4.5
229.12184	1.6
229.15932	2.9
229.19513	1.2
247.13245	3.7
247.16957	30.3
247.20546	1.5
247.24269	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03946	1.5
55.05516	12.0
55.64411	1.0
56.76232	0.8
57.07062	2.0
67.05518	8.3
69.07075	7.2
70.95197	1.2
70.95546	2.8
79.05511	10.5
81.07063	13.8
83.08626	5.3
91.05477	17.6
93.07053	27.0
95.04932	1.6
95.08611	18.9
96.17554	1.1
97.10165	2.2
98.98522	1.4
103.05479	1.2
105.06387	1.6
105.07040	27.6
107.04942	1.2
107.08598	26.9
109.06500	1.5
109.10163	7.3
111.08084	1.7
115.05426	1.4
115.68320	1.1
117.07014	8.2
119.08586	46.8
121.06493	3.1
121.10140	12.4
123.11709	2.2
125.05922	1.6
125.49827	1.1
129.07016	2.4
130.07816	2.2
131.08569	29.8
133.06499	1.3
133.10136	54.8
135.08067	3.2
135.11676	4.3
137.09480	1.2
137.13225	1.1
139.07532	1.9
143.08563	3.2
144.09354	3.1
145.06505	1.9
145.10135	41.6
147.08031	2.0
147.11697	10.5
149.05997	2.9
149.09615	4.2
149.13275	2.8
151.07542	4.1
153.09148	2.2
155.08540	1.3
157.10159	4.3
158.10875	2.0
159.08084	5.7
159.11699	35.7
161.09570	1.4
161.13229	7.6
163.07562	7.0
165.09123	3.9
171.11665	1.8
172.12511	1.8
173.09662	5.3
173.13284	15.7
175.03952	1.2
175.11235	1.0
175.14867	2.1
175.43570	0.9
177.07625	1.7
177.09122	32.1
179.10555	1.2
183.11652	1.1
185.09598	1.0
185.13306	1.2
186.14058	1.5
187.11252	5.1
187.14836	3.3
191.10701	5.0
201.16396	100.0
202.16753	1.8
203.17976	9.2
205.12238	1.3
205.15813	1.2
211.14861	1.5
216.38759	1.1
219.17418	3.0
229.10057	2.8
229.12219	2.2
229.15900	15.7
229.19537	2.8
244.63963	1.0
247.13196	1.9
247.16942	35.2
247.20557	8.1
255.61665	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	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03967	0.7
55.05513	3.1
57.07075	1.3
61.04222	0.6
61.99053	0.5
67.05514	2.3
68.35685	0.5
69.07063	3.7
79.05502	3.2
81.07053	5.0
83.08609	1.2
87.78822	0.6
88.41016	0.6
91.05480	4.6
93.07050	9.0
94.87147	0.5
95.04948	0.5
95.08609	6.3
105.07037	10.2
105.07685	1.0
107.08598	9.9
109.06508	0.7
109.10180	4.0
115.05398	0.7
117.06993	2.9
119.08587	15.3
121.06492	1.0
121.10146	5.4
123.08150	0.7
123.11655	0.8
125.09631	0.7
130.07825	0.6
131.08574	11.2
133.09279	0.4
133.10136	10.8
135.11687	0.8
137.13298	0.6
139.07518	0.7
142.49849	0.7
142.97241	0.5
143.08606	0.6
144.09349	1.0
145.10133	21.7
147.11713	3.5
149.06024	0.8
149.09563	0.7
149.13310	0.7
151.07602	0.7
153.09131	0.7
157.10133	1.6
159.08066	1.1
159.11707	15.2
161.13269	4.3
163.07536	2.8
171.11707	1.6
172.12650	0.8
173.09654	1.7
173.13286	6.8
175.14804	0.6
176.35126	0.6
177.09132	2.6
179.10649	1.5
183.11658	0.6
186.14053	4.4
187.11086	0.8
191.10643	1.8
201.16389	100.0
202.16742	1.6
203.16315	0.7
203.17876	3.4
205.12175	1.2
219.17485	3.4
229.12233	0.8
229.15891	3.8
229.30032	0.7
247.13060	1.4
247.16940	24.0
247.20644	1.3
256.70966	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	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03934	5.8
55.01858	2.0
55.05497	4.5
57.03418	2.3
57.07084	13.3
58.78672	1.4
59.04976	2.3
65.03930	4.7
67.05495	4.5
68.99798	2.4
69.03075	1.8
69.03433	27.8
69.07069	2.1
69.38934	12.3
79.05494	9.8
81.03408	2.7
81.07059	9.6
83.04987	22.1
85.02905	2.9
85.06548	3.8
87.00812	3.1
91.05487	14.0
93.03389	4.1
93.07053	13.6
94.32490	1.4
95.04961	5.9
95.08620	2.8
97.02901	12.9
97.06538	2.2
103.05461	1.4
105.07049	16.1
107.04996	1.8
107.08604	14.9
109.02897	14.7
109.06561	9.7
109.10175	3.1
111.04453	5.8
113.02362	2.9
115.03957	3.0
115.05452	3.9
117.07023	12.9
119.08598	16.1
121.02888	7.5
121.06512	17.0
121.10168	7.0
123.04478	1.5
123.08028	2.6
125.02345	3.1
127.03929	1.9
128.06258	4.6
129.07019	8.6
131.08578	21.0
132.05746	2.7
133.10149	10.3
135.08046	26.0
137.05989	5.8
137.09644	2.6
139.03882	2.2
141.07047	2.1
142.07799	3.0
143.03416	3.6
143.08566	12.3
144.05708	1.6
144.09352	8.6
145.06509	10.5
145.10141	13.0
147.08049	3.2
147.11659	1.4
149.09627	24.8
150.10345	3.6
151.07532	1.6
151.11171	4.3
153.07048	2.4
153.09152	2.7
155.08540	5.7
157.06537	1.6
157.10175	5.2
158.07265	2.8
158.10933	11.1
159.08086	13.3
159.11691	26.2
160.08850	5.2
161.04515	1.9
161.09604	4.2
163.07555	20.1
163.11156	2.6
165.09155	1.8
168.09377	4.7
168.74472	1.4
169.10020	2.5
170.10928	3.9
171.08031	7.6
172.08835	18.1
173.06033	2.5
173.09613	30.2
173.13272	34.3
175.07544	1.6
181.06462	1.8
183.11728	9.9
185.09550	2.0
186.08923	2.3
186.10417	25.4
187.07703	3.3
187.11198	100.0
188.11620	2.3
189.09087	2.6
191.07039	36.1
196.08856	4.7
199.07619	2.1
201.09138	2.4
201.12764	55.1
205.12241	4.9
211.11212	11.7
214.09923	2.5
219.13802	4.3
223.04997	1.4
229.12259	60.2
230.12587	1.7
240.41687	1.3
247.13319	77.6
247.17220	3.2
253.95699	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	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03941	3.7
55.01869	3.3
55.05498	4.8
55.75873	1.4
57.03434	2.4
57.07082	11.5
59.04992	2.1
65.03944	4.3
67.05495	4.8
68.16688	1.4
68.99781	2.1
69.03081	2.1
69.03436	29.0
69.68777	8.7
71.04970	1.7
79.05503	8.6
81.03417	3.2
81.07069	8.4
83.01295	1.5
83.04982	19.0
85.02894	3.7
85.06514	1.8
87.00811	3.0
87.04478	3.0
91.05484	20.6
93.03397	3.0
93.07046	14.8
95.04965	5.5
95.08636	3.6
97.02896	18.7
97.06519	1.7
103.05445	2.1
105.07033	17.8
107.04919	3.3
107.08594	13.4
109.02894	12.8
109.06523	10.4
109.10159	3.2
111.04450	5.6
111.08098	2.6
113.02380	3.2
115.03947	2.2
115.05449	6.6
116.06203	2.1
117.07018	10.1
119.08585	17.0
121.02891	6.8
121.06515	16.2
121.10156	6.5
123.08077	3.5
125.02335	5.2
127.03925	1.9
128.06265	4.2
129.06985	8.2
129.58597	1.5
131.04903	1.7
131.08586	19.7
132.05690	3.4
133.06474	1.8
133.10146	10.1
135.08061	28.9
137.05998	2.9
137.09613	2.8
139.03963	1.9
141.06973	3.8
142.07808	2.5
143.03438	7.9
143.08598	11.7
144.05707	1.7
144.09361	11.2
145.06465	14.3
145.10156	12.6
147.08041	5.3
149.09633	21.9
150.10423	3.8
151.07576	1.7
151.11183	4.0
153.06981	2.9
153.09135	1.9
155.08548	6.8
156.09261	2.0
157.06584	1.7
157.10155	4.9
158.07341	4.2
158.10916	9.3
159.08066	13.7
159.11702	26.9
160.08891	3.3
161.04451	3.5
161.09598	6.1
163.07550	19.8
163.11211	3.6
165.09116	3.1
168.09395	5.0
169.10194	3.2
170.10878	4.4
171.08046	10.5
172.08836	14.2
173.06126	2.4
173.09648	26.7
173.13266	39.0
173.14688	2.9
175.07576	1.9
175.11171	2.0
183.11667	13.2
185.09686	2.2
185.13286	2.2
186.10410	18.0
187.07608	4.8
187.11198	100.0
188.11595	1.8
189.09000	2.2
191.07036	34.2
196.08876	7.3
199.07574	1.5
201.09097	3.3
201.12755	52.2
203.14252	3.2
205.12318	4.7
211.11171	13.0
214.09883	2.9
219.13823	4.8
229.12268	59.0
247.00687	1.7
247.09679	3.1
247.13330	72.9
248.13490	1.7
259.27301	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	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03947	6.8
55.01876	2.9
55.05497	5.4
57.07076	15.6
65.03931	5.5
67.05494	4.9
69.03432	25.3
69.07061	2.1
69.72826	1.1
69.85560	4.4
69.85974	3.4
79.05501	11.4
79.75677	1.2
79.86485	1.2
81.03419	3.3
81.07059	7.6
83.04986	23.6
85.02876	2.9
85.06541	3.5
87.00809	2.8
91.05478	20.2
93.03402	4.0
93.07056	14.1
95.04967	5.6
95.08618	2.5
97.02902	14.7
97.06549	2.2
104.52992	1.5
105.07033	14.3
107.04915	1.7
107.08611	16.2
109.02882	15.9
109.06527	14.1
109.10128	3.7
111.04444	5.7
111.08067	1.6
113.02383	1.6
115.03902	3.4
115.05449	4.9
117.07011	11.1
119.08592	20.3
121.02898	8.3
121.06530	17.8
121.10135	5.5
123.08067	4.4
125.02367	4.2
125.06019	1.3
127.03912	1.7
128.06236	3.4
129.07056	6.6
130.07817	1.8
131.08577	19.9
132.05704	3.2
133.10153	13.1
135.08060	30.0
137.05983	5.8
137.09613	4.2
141.06989	2.7
142.07765	3.7
143.03395	6.0
143.08527	11.2
144.05804	1.4
144.09346	9.8
145.06487	14.2
145.10117	15.7
146.07256	1.8
147.08066	4.6
147.11668	1.5
149.05984	2.0
149.08549	1.9
149.09634	22.1
150.10382	4.0
151.07536	2.3
151.11206	3.8
153.06979	4.2
153.09187	2.0
155.08525	7.3
157.06441	1.6
157.10120	6.2
158.10959	11.4
159.08080	12.3
159.10420	2.5
159.11697	29.8
160.08864	5.6
161.04436	4.8
161.09631	6.7
163.07562	21.5
163.11221	2.4
165.09093	1.8
168.09332	3.1
169.10161	3.9
170.10893	4.6
171.08057	6.8
172.08842	18.3
173.09653	32.2
173.13277	37.6
175.07527	2.2
178.07683	1.9
181.06587	1.4
183.08090	1.5
183.11711	9.2
185.09636	3.2
185.13275	1.8
185.78555	1.3
186.10417	24.0
187.07602	3.9
187.11192	100.0
189.09048	2.3
191.07031	33.5
195.08011	1.5
196.08820	5.2
201.12755	55.6
201.16374	5.3
203.14328	1.5
205.12270	8.1
205.88634	1.3
211.11198	11.7
214.09885	3.2
219.13803	5.6
229.12253	58.5
247.13309	85.6
247.17020	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	247.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01874	8.1
55.05515	1.5
56.96563	1.5
57.03437	7.2
57.07086	4.9
60.08167	3.3
61.02913	0.8
61.64357	0.6
62.81042	0.6
67.05498	1.6
68.99782	2.3
69.03082	0.8
69.03435	15.4
69.07060	1.1
70.02939	0.6
70.06599	2.0
71.01351	2.0
71.04973	1.9
71.57833	1.1
72.04535	0.7
72.08160	3.2
73.02924	4.1
74.02438	3.4
79.05486	2.8
81.03424	3.8
81.07045	2.3
83.01352	1.4
83.04969	1.1
85.02913	13.0
85.06528	1.3
86.03252	2.3
86.09702	2.2
87.00832	8.5
87.04468	1.8
88.03986	0.8
91.05492	5.0
93.07043	2.0
95.04995	1.3
95.08611	1.4
97.02900	22.6
97.23129	0.6
98.97614	2.1
99.04457	2.5
102.05540	0.9
103.05448	1.4
105.01871	4.7
105.07058	4.0
106.96492	0.7
107.04965	0.8
107.08585	2.3
109.02892	1.0
109.06544	2.2
109.22115	0.8
113.02370	1.3
115.03937	7.8
115.05460	2.3
116.06160	0.8
116.98596	0.9
117.03334	0.7
117.05776	1.3
117.07021	3.0
118.06552	23.5
119.04944	1.1
119.08590	3.9
120.08128	3.2
121.02878	5.0
121.06506	1.5
123.04417	1.0
123.08035	0.7
124.07603	2.1
125.02368	24.0
125.07944	2.9
125.09687	1.1
127.03926	1.6
128.06247	3.7
129.07016	23.7
130.06532	13.3
131.07303	1.6
131.08559	4.4
132.08102	13.0
132.95871	0.8
133.04967	3.0
133.06503	1.7
133.10132	1.9
135.08026	2.6
137.06007	1.3
141.05440	1.0
141.07010	1.8
142.06543	2.7
142.07755	1.7
143.03433	1.5
143.07315	4.0
143.08563	2.2
144.08104	23.5
144.09203	1.0
145.02844	0.9
145.06509	1.8
145.10130	2.4
146.06026	40.8
146.09703	1.1
147.08018	1.6
147.11682	1.1
149.05994	0.9
153.06979	1.0
154.06465	1.1
155.07327	1.4
155.08592	1.9
156.08099	100.0
157.08748	1.0
157.10152	1.8
158.06010	1.0
158.09648	2.4
159.08063	2.4
159.11716	2.6
160.07599	6.3
161.04498	4.1
161.05762	0.8
161.09630	1.9
163.07570	1.3
167.07344	1.9
168.08102	12.1
168.09349	1.4
169.04933	0.9
169.07603	1.6
170.06024	15.1
172.07567	1.0
172.08858	0.8
173.05913	1.3
173.09642	2.7
173.13293	2.0
174.09160	15.3
174.10570	1.1
175.03995	0.8
175.11227	1.0
177.05458	2.6
181.06267	2.5
181.35672	0.6
183.09196	15.6
183.11633	4.4
184.07596	9.3
185.10826	1.6
187.07553	1.1
187.11182	0.9
188.07079	34.1
190.06689	0.9
196.08836	1.0
201.03964	2.5
201.10287	2.4
201.12785	7.4
202.08632	5.4
203.10612	0.9
211.11166	1.6
212.07137	2.2
217.07481	1.3
229.03491	2.0
229.09755	28.8
229.12250	8.2
230.08142	19.0
230.10275	1.4
241.07437	1.8
247.04430	3.1
247.10788	8.3
247.13382	8.3
247.16962	4.3
248.12958	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	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
52.60409	0.3
53.03943	0.4
55.05516	2.1
57.03412	0.3
67.05508	0.6
68.07269	0.3
69.03425	1.6
69.07072	0.5
70.06601	0.8
71.38445	0.6
73.02958	0.3
79.05482	1.0
79.42591	0.3
81.03419	1.0
81.07052	0.6
83.04990	3.2
85.02903	1.1
86.09712	100.0
87.10072	0.4
91.05499	1.2
91.70986	0.3
93.07053	0.5
95.04974	0.4
97.02885	0.8
99.04453	0.4
105.07059	1.0
107.04997	0.6
107.08557	0.3
109.02896	0.7
117.07025	0.3
121.06536	0.8
127.03958	0.5
128.06244	0.9
129.07060	1.0
131.08606	0.5
132.10226	3.6
135.08070	2.7
141.06984	0.6
142.03253	1.1
142.07837	0.5
143.08601	1.4
145.06494	1.1
145.10143	1.7
147.08029	0.5
149.09659	0.5
155.08607	1.0
156.09392	0.9
157.06534	0.4
157.10152	0.9
158.07317	0.9
159.08116	1.2
159.11702	0.3
160.08815	2.0
165.07042	0.8
166.07782	0.6
169.06516	0.7
171.08102	0.9
171.11740	1.3
172.08835	0.6
173.09639	7.1
181.10152	1.3
183.08051	0.6
184.08862	3.3
185.09634	0.7
197.09554	0.3
199.11191	7.3
199.18108	1.3
201.12749	0.8
209.09668	1.4
212.08392	0.9
217.12180	0.5
218.08119	0.5
227.10716	3.9
245.11728	6.2
245.16133	0.5
245.18643	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	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03941	0.4
55.01889	0.3
55.05513	1.4
56.05002	0.3
58.06581	0.3
58.87691	0.3
64.19819	0.2
67.05509	0.8
69.03434	1.2
69.07073	10.9
70.06604	1.2
71.04983	0.3
71.58581	0.4
72.08134	0.2
78.67341	0.2
79.05486	0.7
80.05007	0.4
81.03426	0.8
81.07076	0.6
83.04970	1.8
84.08144	0.4
85.02907	0.5
86.09710	100.0
87.10043	0.5
91.05505	1.2
93.07040	0.5
95.04975	0.7
95.08620	0.3
97.02908	0.6
105.07020	1.1
107.04913	0.3
107.08615	0.6
109.02887	0.7
114.03751	0.3
115.05444	0.5
117.07012	0.9
119.08597	0.5
121.06512	0.6
123.04468	0.3
123.08111	0.3
127.03905	0.4
128.06265	0.9
129.07037	0.9
129.10277	0.3
130.06535	0.4
131.05000	0.2
131.08626	0.7
132.10208	1.9
133.06468	0.2
135.08063	3.2
141.07001	0.6
142.03238	1.6
142.07759	0.5
143.08560	1.7
145.06476	1.4
145.10083	1.6
147.08058	0.5
153.07010	0.6
155.08578	0.9
156.09344	0.7
157.06494	0.5
157.10211	0.6
158.07300	0.7
159.06979	0.2
159.08043	1.3
159.11755	0.2
160.08829	2.7
161.06003	0.3
161.09586	0.3
165.06993	0.5
166.07813	0.7
169.06528	0.8
171.08023	1.3
171.11736	1.3
173.09624	7.0
181.10118	1.2
183.08096	0.8
184.08813	2.0
185.09610	0.4
189.12666	0.3
199.11176	6.9
199.18181	0.4
201.12704	0.4
209.09622	1.6
212.08368	1.1
217.12405	0.4
227.10670	5.1
245.04501	0.5
245.08060	0.6
245.11679	6.5
245.15631	0.8
245.18710	3.4
246.07680	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	245.1538
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03939	0.9
55.01855	0.8
55.05510	4.1
57.07060	2.3
58.06590	2.5
67.05491	3.0
69.07074	7.6
71.08632	0.8
76.07647	1.0
77.10557	0.8
79.05483	3.7
81.07066	6.0
82.42232	0.7
83.04977	1.3
83.08610	1.4
91.05486	8.4
93.07055	3.7
95.04974	1.2
95.08606	2.4
97.10171	0.9
105.07038	11.2
107.08610	5.1
109.06483	1.7
115.05468	2.2
117.07035	5.0
119.08585	13.8
121.06509	2.3
121.10149	1.5
127.07537	0.8
128.06261	4.2
129.07016	7.6
130.07796	2.4
131.08577	40.2
133.10121	4.2
135.08080	8.5
141.06992	2.1
142.03210	4.1
142.07797	11.2
143.08572	23.9
144.09328	3.6
145.06462	4.4
145.10133	42.4
147.11734	1.4
149.09631	1.2
153.07002	0.8
155.08534	3.4
156.09344	5.3
157.10136	39.6
158.07257	2.6
158.10835	1.5
159.08051	4.0
159.11702	23.5
160.08835	6.4
161.09631	3.5
163.07643	0.9
165.06989	1.2
166.07732	2.1
169.06480	1.7
169.10123	2.8
170.02730	0.9
170.10962	1.6
171.08052	3.6
171.11713	13.1
172.08926	1.3
173.09634	19.8
173.13258	3.8
175.07542	2.5
177.09166	2.0
181.10124	2.5
182.92549	0.8
183.08105	2.5
183.11697	1.5
184.08850	6.8
184.12491	8.6
185.09581	2.8
185.13228	2.5
187.07683	1.0
189.09103	5.2
189.11090	1.1
189.16420	0.8
197.09639	1.5
197.13284	2.6
199.11205	19.4
199.14835	100.0
200.15256	1.7
201.16400	13.5
203.10661	1.5
209.09648	3.1
209.13231	0.9
212.08237	2.5
217.08751	2.0
217.12283	1.1
217.15904	6.4
227.10664	12.6
227.14317	2.0
227.17923	1.9
240.84109	0.9
245.11748	14.2
245.15401	62.3
245.18910	3.7
245.22865	1.9
245.26700	16.0
246.15756	1.4
248.41278	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	244.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67352	0.4
53.03939	0.8
55.01857	0.7
64.37306	0.4
65.03931	0.6
67.05492	2.2
69.03426	0.6
71.59287	0.5
79.05493	2.1
81.03419	0.6
81.07072	0.9
89.86401	0.4
91.05490	1.0
93.07017	0.5
95.04985	1.0
103.05469	0.8
105.07027	0.8
106.06549	1.9
107.07299	0.8
109.02849	0.5
115.05447	1.5
123.04444	2.6
128.06248	2.1
129.06981	1.7
130.06512	0.8
131.04922	0.8
131.81012	0.4
134.06076	0.7
136.07567	1.1
141.06985	0.5
142.59842	0.4
143.04994	0.7
143.08578	1.7
145.06537	0.5
145.08879	0.9
145.10052	0.7
147.04561	0.4
149.04765	0.5
152.06207	1.1
153.07019	5.5
154.07745	0.5
155.07262	1.4
155.08542	5.1
156.07849	0.7
157.06474	0.6
158.06000	0.6
158.07219	0.5
160.05235	0.4
161.06017	2.4
165.07008	0.6
168.05684	0.8
169.06506	0.6
170.06122	0.5
170.09683	3.5
171.08075	1.9
171.09970	1.1
173.05975	0.8
173.08316	0.9
173.09698	1.3
176.07062	3.5
180.08017	2.1
181.06450	2.6
183.06786	3.9
183.08170	1.1
184.05182	0.5
184.07439	1.0
185.06000	0.5
187.07530	0.7
188.10788	1.0
188.12573	1.2
198.09149	7.0
199.07549	1.9
199.09486	3.1
199.11235	0.9
200.07098	1.1
201.07802	2.4
201.09412	0.9
211.06241	0.9
212.07080	0.5
214.05003	2.8
215.11852	0.4
216.10202	3.4
216.12166	1.3
226.08702	3.2
228.06612	0.6
229.07332	1.5
234.09990	0.4
244.09694	100.0
244.11635	5.0
244.22720	1.1
245.10039	1.4
245.12057	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	244.0971
Annotation	Isotaifine
Peak:m/z	Relative Intensity
51.67352	0.4
53.03939	0.8
55.01857	0.7
64.37306	0.4
65.03931	0.6
67.05492	2.2
69.03426	0.6
71.59287	0.5
79.05493	2.1
81.03419	0.6
81.07072	0.9
89.86401	0.4
91.05490	1.0
93.07017	0.5
95.04985	1.0
103.05469	0.8
105.07027	0.8
106.06549	1.9
107.07299	0.8
109.02849	0.5
115.05447	1.5
123.04444	2.6
128.06248	2.1
129.06981	1.7
130.06512	0.8
131.04922	0.8
131.81012	0.4
134.06076	0.7
136.07567	1.1
141.06985	0.5
142.59842	0.4
143.04994	0.7
143.08578	1.7
145.06537	0.5
145.08879	0.9
145.10052	0.7
147.04561	0.4
149.04765	0.5
152.06207	1.1
153.07019	5.5
154.07745	0.5
155.07262	1.4
155.08542	5.1
156.07849	0.7
157.06474	0.6
158.06000	0.6
158.07219	0.5
160.05235	0.4
161.06017	2.4
165.07008	0.6
168.05684	0.8
169.06506	0.6
170.06122	0.5
170.09683	3.5
171.08075	1.9
171.09970	1.1
173.05975	0.8
173.08316	0.9
173.09698	1.3
176.07062	3.5
180.08017	2.1
181.06450	2.6
183.06786	3.9
183.08170	1.1
184.05182	0.5
184.07439	1.0
185.06000	0.5
187.07530	0.7
188.10788	1.0
188.12573	1.2
198.09149	7.0
199.07549	1.9
199.09486	3.1
199.11235	0.9
200.07098	1.1
201.07802	2.4
201.09412	0.9
211.06241	0.9
212.07080	0.5
214.05003	2.8
215.11852	0.4
216.10202	3.4
216.12166	1.3
226.08702	3.2
228.06612	0.6
229.07332	1.5
234.09990	0.4
244.09694	100.0
244.11635	5.0
244.22720	1.1
245.10039	1.4
245.12057	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	244.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42660	0.1
56.96566	1.4
60.95835	0.2
68.47427	0.1
69.03432	0.1
69.48331	1.0
71.95258	0.2
82.06574	0.2
82.99852	0.2
98.96927	0.2
98.97590	4.8
99.97916	1.0
100.07607	0.8
100.97186	0.5
100.98007	0.3
101.00883	2.8
101.97203	0.4
102.00945	1.4
102.96863	1.0
103.00643	0.2
116.98628	3.5
117.98962	1.1
118.98219	0.2
119.01926	9.4
119.98283	0.2
120.02010	5.7
120.97910	1.0
121.01662	0.7
130.93301	0.2
131.01881	0.2
134.99667	1.9
135.99980	1.3
137.02962	2.2
137.99323	0.2
138.03064	1.2
138.98952	0.3
139.02704	0.1
141.98926	0.4
142.03494	0.2
143.01945	0.3
144.52196	0.1
145.03479	0.2
153.00871	0.3
154.01051	0.4
158.99879	0.4
159.99992	1.8
160.99677	0.2
161.02945	1.0
161.37178	0.1
173.03072	0.2
176.03156	0.4
177.00974	3.8
178.01050	23.3
179.00713	3.4
179.04082	0.3
180.01480	0.1
183.99968	0.4
185.02974	0.3
192.02663	0.3
194.04175	0.3
196.02051	0.4
200.03156	0.2
201.02621	0.3
202.01003	1.6
202.02626	0.1
203.00706	0.3
203.03999	0.4
218.04204	3.5
219.02022	2.7
219.03944	0.4
220.02130	26.0
220.94235	0.1
221.01778	5.1
222.02501	0.2
226.00983	2.3
227.00809	0.2
235.00809	0.2
238.98444	0.6
239.05750	0.2
243.03763	0.4
243.55141	0.1
244.02124	9.8
245.01860	1.1
245.05099	0.3
252.54285	0.2
258.03461	0.2
261.02960	0.3
262.03201	100.0
263.02869	11.3
264.03540	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	243.113
Annotation	Arenarine B
Peak:m/z	Relative Intensity
52.87100	0.5
53.03943	3.3
57.26162	0.5
65.03924	0.8
67.05502	1.4
69.03429	0.8
79.05492	0.7
80.05032	1.0
81.03416	2.4
81.07047	1.3
82.06579	0.6
91.05479	1.4
94.06583	1.3
95.04976	1.0
96.04449	0.6
103.05415	0.8
104.05014	0.6
105.07034	1.1
106.06570	1.0
108.04486	1.2
110.05996	0.6
115.05442	1.3
117.05757	1.1
117.07022	1.0
118.06554	1.1
120.08022	0.7
122.06048	2.3
128.06224	5.0
129.07010	1.9
130.06529	2.5
131.07323	1.6
131.08582	1.3
132.08087	1.9
134.35263	0.6
141.07001	1.3
142.06693	0.6
142.07787	1.9
143.07466	1.0
143.08583	3.2
144.08080	1.5
145.06552	1.0
145.07706	0.9
145.08868	1.5
145.10049	1.0
146.05966	0.7
146.08473	0.5
146.09657	1.5
147.09193	1.5
148.07549	1.0
152.06192	0.8
153.07011	3.6
154.06531	4.3
154.07672	0.8
155.06104	1.2
155.07307	8.1
155.08565	3.6
156.08122	2.4
157.07664	1.4
157.08885	2.2
157.10158	1.4
158.06046	1.6
158.08356	0.8
158.09647	0.9
159.04457	0.8
160.06328	0.7
160.07588	0.7
160.09966	1.7
160.11234	1.2
161.07123	0.6
162.07777	0.6
167.07317	0.8
168.08084	1.7
169.08882	1.3
170.06012	0.7
170.09671	20.9
171.06799	0.7
171.09218	2.5
172.07582	1.5
172.09961	11.8
172.11267	2.8
174.09152	1.9
175.08661	4.6
180.08102	1.6
183.06790	5.5
184.07668	1.5
185.07109	2.4
186.09311	1.1
186.11534	2.5
187.08765	1.3
187.12332	25.4
188.10689	1.4
197.05994	0.8
197.10745	0.8
197.13362	1.1
198.09161	48.6
199.08507	3.8
200.09314	9.9
200.10670	1.6
213.06621	1.8
215.11813	35.9
216.10223	0.7
225.10225	0.7
226.08655	10.3
227.08208	0.9
228.08951	3.7
243.11322	100.0
244.09705	4.4
244.11742	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	243.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39516	0.3
53.03959	2.3
55.05508	0.6
65.03941	1.0
67.05489	1.3
69.03421	0.7
69.34843	1.9
69.35254	1.1
72.70454	0.3
77.03936	0.4
79.05479	1.0
80.05011	0.8
80.66284	0.3
81.03416	1.7
81.07059	0.8
82.02952	0.3
91.05473	1.5
94.06556	1.4
100.49676	0.3
103.05449	0.9
105.03419	0.4
105.07039	0.8
106.06541	0.7
108.04482	0.9
108.08019	0.4
115.05472	1.7
117.05760	0.9
117.07013	0.8
118.06535	0.5
119.08548	0.4
120.04503	0.4
120.08089	0.8
121.07624	0.4
122.06029	2.0
128.06233	4.0
129.06996	2.9
130.06540	2.5
131.07306	2.2
131.08517	0.7
132.08084	1.3
134.05989	0.5
136.07579	0.7
141.06998	1.0
141.71802	0.3
142.06543	0.8
142.07712	1.1
143.07301	1.0
143.08551	3.2
144.08090	2.4
145.07704	0.4
145.08858	1.2
145.10115	1.2
146.06058	0.6
146.08510	0.4
146.09653	1.4
147.09164	0.9
148.07590	1.2
150.05501	0.5
152.06149	0.9
153.07005	3.1
154.06516	4.2
154.07664	0.6
155.06146	0.5
155.07289	8.2
155.08560	2.9
156.08066	1.7
157.07596	1.5
157.08879	2.9
157.10059	0.7
158.06020	2.0
158.08455	0.4
158.09608	1.9
159.04419	1.2
159.09113	0.5
159.11711	0.5
160.06339	0.5
160.07533	0.8
160.09944	2.2
160.11235	1.0
161.07111	0.7
161.10867	0.4
162.09183	0.5
167.07330	0.9
168.08078	1.8
169.08865	0.9
170.05995	1.1
170.09663	17.2
171.09192	2.7
171.10411	0.8
172.07559	1.5
172.09962	11.3
172.11267	2.5
173.07169	0.9
173.10713	0.5
174.09172	1.6
175.08687	4.8
180.08078	1.8
180.25719	0.3
181.06543	0.4
182.06084	0.4
182.08339	0.9
183.06792	4.7
183.08247	0.6
184.07588	1.0
185.07086	2.2
185.08466	0.8
185.10759	0.6
186.09148	1.1
186.11517	1.7
187.08807	0.8
187.12320	26.5
188.10724	1.2
188.12654	0.7
189.10309	0.6
197.05891	0.8
197.08229	0.4
197.10741	1.1
198.09158	46.7
199.08559	3.5
200.09352	10.4
211.06212	0.6
213.06560	1.3
215.11809	37.3
216.10262	0.7
216.12090	0.8
225.10272	0.8
226.08664	10.5
227.08231	1.1
228.08961	2.5
241.09766	0.8
243.11310	100.0
244.09589	3.0
244.11722	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	243.0867
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
52.13113	1.8
53.03958	2.6
55.01864	4.7
55.05511	3.5
56.96558	2.6
57.03428	2.1
61.02919	8.6
65.03962	10.5
67.05499	6.1
69.03420	6.9
69.07072	5.3
70.06583	4.1
70.34553	6.2
71.04993	5.6
72.08157	5.3
77.03937	1.9
77.56546	1.7
79.05495	8.4
81.03402	4.8
81.07058	6.6
82.04195	2.0
83.04959	2.0
84.04499	2.9
84.08131	3.6
85.02903	7.9
86.06029	2.5
86.09713	8.9
89.03835	2.3
91.05476	19.3
93.07072	2.2
94.04163	2.0
95.04980	18.4
95.08636	3.6
97.02892	6.4
97.06553	3.0
98.21437	1.9
98.97549	2.1
99.04459	3.6
105.03402	4.3
105.07026	4.0
107.04962	12.5
109.02914	2.3
109.06518	14.9
110.03667	4.3
111.04438	6.3
119.04958	7.2
119.08595	2.2
123.04453	16.8
125.02385	9.6
125.05962	3.3
127.72147	1.9
133.02850	10.3
135.04474	2.9
137.05981	21.9
137.09573	1.9
140.04692	100.0
142.02646	2.7
147.04402	6.3
149.06059	2.7
152.04755	2.8
153.05510	2.3
155.07042	78.1
165.05563	14.5
171.06483	5.9
173.08098	7.5
176.56056	2.0
179.07053	12.5
180.04138	14.3
181.04977	71.3
183.06604	3.5
187.11172	2.1
193.04959	23.0
195.06599	10.7
197.02907	9.4
197.06000	2.0
197.08096	10.8
197.09662	3.0
207.06564	23.2
211.07491	2.4
215.03932	2.8
220.04594	4.9
225.07516	13.2
243.06548	3.3
243.08672	8.0
243.10750	3.1
243.13698	2.7
243.21692	2.4
264.04272	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	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.43965	1.1
53.03934	3.5
55.01859	2.3
55.05503	1.8
55.93541	1.1
56.96553	1.5
57.07088	1.3
61.02930	9.4
61.93524	1.2
65.00468	1.1
65.03935	7.3
66.04732	1.2
67.05503	5.2
69.03431	5.9
69.07044	2.6
70.01617	2.2
70.02007	3.0
70.06583	3.5
71.04982	2.5
72.08154	2.8
75.90941	1.0
79.05492	7.9
80.76666	1.0
81.03408	2.7
81.07066	6.7
81.07450	1.1
82.04187	3.0
83.04981	1.6
84.04505	1.6
84.08128	3.1
84.70768	1.0
85.02930	5.9
86.09689	2.9
91.04967	1.7
91.05489	21.5
93.03390	1.3
93.07021	1.8
95.04970	19.0
95.98281	1.1
96.04502	1.0
97.02880	3.3
97.06525	2.5
97.89812	1.1
98.06084	1.4
99.04464	2.1
105.03379	3.9
105.04543	1.2
105.07036	2.4
107.04962	10.1
107.08613	1.8
108.02098	1.6
109.02872	1.9
109.06538	15.4
110.03652	5.6
111.04419	3.2
119.04954	6.1
119.08581	1.4
121.02850	2.9
121.06490	1.7
122.03634	1.5
123.04435	14.6
123.08077	1.8
125.02354	8.1
125.05997	2.9
127.03916	1.4
133.02859	13.8
135.04411	4.3
137.05983	25.0
138.03116	2.7
140.04692	100.0
142.02606	1.6
145.06490	1.2
147.04463	6.3
151.03882	1.5
152.04721	1.7
153.05449	3.3
155.07040	86.5
161.09595	1.3
163.03896	3.0
164.04680	1.7
165.05499	17.7
167.07077	1.9
171.06519	4.3
173.08148	5.4
179.07071	12.1
180.04181	17.2
181.04970	75.0
183.06551	4.3
184.03654	2.4
193.04967	24.6
195.06555	11.3
197.03003	7.9
197.06299	1.5
197.08047	8.6
197.09654	1.9
207.06531	25.1
215.04015	1.4
220.04558	3.6
225.05460	2.0
225.07535	18.1
225.09401	1.8
225.14716	1.1
231.05295	1.2
243.06482	1.9
243.08629	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	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03948	0.3
55.01848	0.3
55.05508	0.6
56.96571	2.7
57.03428	0.3
58.06604	18.0
67.05519	0.3
69.03423	0.7
70.06596	3.4
70.08959	0.9
71.04966	0.3
72.08159	0.6
81.03402	0.8
84.08147	10.1
85.02908	0.9
85.06545	0.4
85.91897	0.3
97.02881	0.4
98.06061	0.5
98.09688	1.6
98.20765	0.3
98.97590	5.6
100.11251	0.4
110.97556	0.3
111.18591	0.3
114.05563	0.5
116.07096	0.6
116.10719	0.3
116.98618	3.3
119.01821	0.4
126.05530	0.4
126.09207	0.3
128.10716	3.9
128.98608	0.4
134.99643	1.1
144.10205	1.2
158.99706	0.7
168.10208	1.2
169.04384	0.8
170.04979	0.3
177.00804	0.6
181.04958	0.5
196.09703	5.3
198.99126	0.3
212.79010	0.3
213.16035	0.6
219.01817	0.4
235.27211	0.3
237.02925	0.5
241.15482	100.0
242.15761	1.1
258.99753	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	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.2
58.06605	17.5
69.03421	0.4
70.06246	0.2
70.06599	3.2
70.77992	0.4
71.04980	0.2
72.08144	0.3
74.80270	0.1
81.03405	0.5
83.04972	0.2
84.08148	9.6
85.02905	0.4
85.06530	0.3
97.02900	0.3
98.06059	0.2
98.09690	1.6
98.97595	0.2
99.04453	0.2
100.11259	0.3
101.00883	0.2
114.05524	0.4
116.07088	0.3
116.10772	0.2
119.01916	0.3
124.11283	0.2
126.05524	0.4
126.09151	0.3
128.10728	3.5
131.01932	0.3
144.10225	1.3
151.53142	0.1
152.10661	0.3
158.01299	0.2
158.08098	0.2
161.02930	0.2
168.10246	1.1
173.02953	0.3
196.09714	5.0
198.11125	0.2
213.15979	0.5
241.15486	100.0
242.15797	1.1
259.02460	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	241.1072
Annotation	CMPF
Peak:m/z	Relative Intensity
51.97361	11.8
56.79897	11.3
70.58842	29.7
79.05489	13.6
81.03442	27.1
83.74014	10.4
91.05502	24.6
93.07060	12.8
105.06979	9.7
117.07026	100.0
131.08601	18.9
135.08061	17.4
147.81117	10.5
159.08115	15.4
163.07581	25.4
177.09106	47.3
195.10098	26.7
205.08577	26.3
223.09698	17.7
231.08945	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	241.1072
Annotation	CMPF
Peak:m/z	Relative Intensity
53.03940	9.3
55.01856	3.5
55.05513	5.1
56.96574	14.2
57.03432	5.0
57.07061	2.8
59.55259	2.2
59.95798	2.2
67.05508	7.5
69.03411	11.8
69.07076	8.1
70.06615	3.1
70.69909	4.5
71.04995	2.8
76.56472	1.9
79.05494	19.0
80.89072	2.1
81.03425	19.3
81.07069	10.5
83.04978	9.9
83.08613	2.1
85.02907	3.2
91.05491	23.1
93.07040	28.4
95.04958	8.4
95.08598	6.0
97.02895	5.6
97.06521	3.7
98.21426	2.9
98.97597	3.5
99.04443	5.2
105.03372	2.9
105.07039	9.0
107.04960	6.7
107.08614	17.1
109.02889	6.3
109.06529	6.1
109.10171	4.8
111.04445	5.3
111.08093	2.5
115.05435	4.2
117.07028	100.0
119.08602	13.9
121.06488	11.3
121.10148	8.4
123.04456	6.7
123.08075	7.1
125.06005	2.7
125.09626	3.3
127.03916	4.4
129.06993	4.0
131.08580	27.5
133.06561	3.7
133.10204	3.0
135.08051	23.3
135.11719	3.9
137.09604	7.8
137.10628	2.2
139.11168	2.7
141.06993	2.6
145.06454	5.0
145.10107	2.8
149.09654	18.4
149.13193	2.4
159.08066	7.7
159.11690	3.4
161.06032	3.6
161.09595	2.9
163.07547	25.9
165.09113	2.9
167.08537	4.1
176.56587	2.3
177.09128	27.7
177.12810	4.3
181.08568	5.9
187.07520	2.6
195.08153	6.5
195.10188	26.4
195.11586	2.6
197.92412	2.3
205.08598	13.7
205.12326	4.8
212.05203	2.7
212.08986	2.7
221.05783	7.5
223.07732	3.3
223.09673	7.7
223.13245	4.8
241.08696	7.3
241.15880	4.1
241.19643	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	240.0868
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
52.87792	0.7
56.96564	0.9
69.03081	1.1
69.03436	19.4
69.51292	1.4
69.51701	2.6
72.93790	0.7
80.05013	1.5
87.04474	43.5
91.05482	1.0
106.06557	1.7
108.04482	5.1
109.02895	0.7
111.03203	5.2
111.04411	1.0
120.67323	0.6
123.04504	0.7
123.08056	0.9
126.05524	18.8
134.05984	2.8
135.06815	3.9
136.07594	1.2
138.05499	3.0
149.05939	0.6
150.09227	1.0
151.07524	1.3
152.03395	0.8
152.07082	6.1
154.05000	35.9
162.05493	3.4
166.08626	5.1
176.07068	0.7
179.07037	2.0
180.06532	0.7
188.57666	0.7
190.04987	0.9
194.08131	13.1
198.97008	1.2
212.09244	3.4
222.07625	28.7
230.33112	0.6
230.36497	0.5
240.08679	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	241.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01878	5.6
55.05307	0.7
55.05518	9.4
57.03445	6.4
59.69757	0.8
61.02930	5.3
65.03940	1.8
66.59536	0.7
67.05509	16.5
69.03436	100.0
69.07066	3.4
70.19170	0.9
70.19545	2.7
70.19908	1.3
70.95849	0.9
71.01347	2.3
71.04984	3.6
72.40048	0.7
72.93803	1.7
73.02914	5.9
79.05500	14.0
81.03423	26.6
81.07056	10.1
81.42873	0.8
83.04987	8.0
83.08624	1.7
85.02911	12.8
85.06528	2.7
87.04472	1.8
91.05488	9.9
93.07053	11.9
95.01324	2.2
95.04986	8.7
95.08606	4.8
97.02901	54.9
97.06520	2.9
99.04456	9.0
99.08123	1.6
103.03943	2.4
103.05446	1.5
105.07034	6.9
107.04984	5.5
107.08606	5.8
109.02884	7.6
109.06519	3.0
109.10167	6.1
111.04466	4.8
111.08086	2.5
113.02378	1.3
113.05975	1.1
115.03955	3.9
117.07011	6.6
119.04958	1.5
119.08603	6.5
121.06496	5.3
121.10172	3.7
123.04434	2.3
123.08108	1.3
123.11678	1.0
125.06010	1.7
127.03924	11.0
131.04953	1.1
131.08589	4.5
132.95834	3.7
133.06506	1.1
133.10126	3.1
135.04427	1.3
135.08058	2.6
135.11703	3.3
137.05957	1.7
137.09641	5.4
139.07599	1.2
139.11194	2.4
141.07059	1.0
143.08615	1.4
145.04941	1.4
145.06531	0.9
145.10161	3.4
147.08063	2.3
149.06009	1.6
149.09697	4.3
151.03970	0.9
151.11143	2.7
153.09056	1.1
159.11722	2.8
160.99147	0.9
161.09648	1.4
163.03918	0.8
163.07521	1.9
163.11206	2.4
165.09177	1.0
167.07147	1.2
167.17853	0.9
171.06541	1.4
173.04541	1.6
175.11241	1.3
177.12750	1.5
181.08566	1.1
185.08151	1.2
187.11214	1.7
193.12296	1.7
195.06491	1.1
195.10149	1.6
203.19855	0.9
205.12274	3.3
211.06079	1.3
223.13258	3.3
241.07114	6.8
241.14281	8.4
249.38536	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	239.1642
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01865	4.7
55.05516	32.8
57.03424	6.4
57.07074	19.5
59.05005	18.4
67.05508	31.4
69.03432	8.2
69.07075	47.3
69.61497	18.4
71.04996	12.2
79.05489	20.0
81.07059	94.7
83.04961	3.8
83.08627	20.9
85.02943	3.4
85.06535	13.0
91.05474	36.3
93.07055	42.3
95.04960	6.7
95.08612	100.0
97.06541	18.8
97.10183	17.4
98.20738	4.5
99.08105	6.9
103.05451	3.1
105.07035	60.7
107.08598	62.3
109.06522	12.9
109.10162	45.9
111.04470	3.6
111.08078	10.6
111.11723	8.5
117.07014	12.8
119.08590	79.9
119.09437	4.1
121.06513	19.1
121.10162	47.3
123.08073	13.1
123.11734	27.9
125.09634	12.5
128.06224	4.5
129.07013	5.4
130.07834	3.3
131.08595	24.3
133.06473	5.5
133.10152	47.4
135.11714	28.3
137.06003	3.6
137.09637	9.2
137.13272	60.9
139.11186	14.5
140.73392	2.7
141.06989	4.6
142.07744	3.3
143.08557	12.9
143.10703	6.8
145.10110	14.3
147.08046	15.9
147.11693	39.4
149.13269	19.2
151.11221	9.6
151.14732	4.9
153.06920	2.8
155.08557	9.1
157.10149	14.6
158.10739	3.0
159.11699	28.5
161.09633	15.2
161.13271	28.8
163.11157	4.5
163.14845	27.5
165.06982	4.9
165.09215	4.0
165.12794	7.9
168.09337	4.7
169.10161	14.4
170.10951	4.2
171.11742	3.5
173.13260	13.0
175.14839	54.0
177.12846	3.3
177.16368	7.9
179.10733	5.5
179.14297	3.8
181.10136	4.2
182.10953	3.4
183.08096	2.6
183.11725	15.2
185.13220	15.6
191.14293	29.0
193.06509	2.9
193.15887	8.4
197.13289	9.9
203.14349	35.7
203.17973	41.3
211.07578	4.5
211.14728	4.3
221.15485	22.2
221.19014	41.6
239.07036	10.2
239.08951	5.4
239.10869	7.1
239.14252	6.4
239.17981	36.1
239.20139	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	239.1643
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.84321	3.5
55.05511	15.0
57.03429	6.4
57.07070	5.7
67.05508	24.4
69.03441	5.4
69.07076	29.8
70.60862	9.8
71.04991	7.1
79.05488	21.2
81.06635	4.5
81.07070	47.2
83.04988	4.7
83.08615	10.8
85.06557	3.8
89.06032	3.5
91.05482	35.0
92.42178	3.2
93.07049	31.8
95.04977	10.2
95.08618	40.9
97.06522	5.5
97.10175	6.4
99.04455	3.3
105.07040	78.8
107.08599	39.1
109.06538	7.9
109.10156	22.3
111.08105	3.7
111.11657	4.0
117.07037	26.3
119.08588	100.0
121.06490	29.0
121.10165	30.3
123.08080	7.9
123.11701	14.0
125.09608	4.2
129.06998	10.7
131.08580	37.5
133.06523	4.6
133.10117	53.5
135.11661	8.9
137.09641	6.7
137.13235	5.3
141.06992	4.0
142.07779	9.7
143.08554	17.9
144.09378	6.9
145.10136	26.7
147.08052	22.6
147.11710	29.5
149.13263	10.2
151.11240	5.6
155.08553	9.7
157.10168	19.8
159.11702	30.3
161.09642	19.2
161.13261	27.3
163.11163	11.0
163.14883	9.0
169.10155	14.1
170.10931	6.3
173.13295	22.7
175.11246	3.3
175.14850	78.8
179.10710	7.0
179.14307	4.5
181.10194	5.0
183.11751	14.1
185.13287	21.6
191.14323	47.8
193.15904	7.0
197.13245	11.4
203.14323	62.3
203.17979	7.2
206.90321	3.2
221.15382	24.2
221.18987	5.3
239.06906	3.9
239.08990	15.4
239.14230	12.7
239.16292	18.5
239.18433	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	239.1643
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05515	11.8
57.03434	7.9
57.07076	7.1
67.05500	12.2
69.03438	5.9
69.07078	22.6
69.53108	5.9
69.53531	13.0
71.05000	6.2
79.05504	13.3
81.07062	31.2
83.08610	5.0
85.06541	3.5
91.05492	37.0
93.07045	33.5
94.40330	2.4
95.04980	8.0
95.08611	29.4
97.06541	8.8
105.07039	80.6
107.04927	2.6
107.08604	48.3
109.06526	9.0
109.10168	18.4
111.04434	3.7
115.05492	2.9
117.07024	21.7
118.86226	2.4
119.08587	100.0
121.06525	35.6
121.10155	26.4
123.08072	6.7
123.11700	5.1
128.06247	9.1
129.07018	8.1
131.08575	49.5
132.22427	2.5
133.06482	7.7
133.10146	67.0
135.08064	6.9
135.11732	13.2
137.09593	7.7
137.13326	2.8
141.07008	3.2
142.07788	4.7
143.08592	19.5
144.09315	5.1
145.10135	31.2
147.08061	24.9
147.11688	28.1
149.09676	3.5
149.13269	9.6
151.11208	4.7
155.08586	5.4
156.09395	3.4
157.10117	20.9
159.11717	36.4
161.09608	27.1
161.13260	28.1
163.11156	12.6
163.14839	11.1
165.09154	5.4
168.72513	2.9
169.10133	7.1
170.10948	8.3
173.13269	34.5
175.11266	7.7
175.14844	89.3
176.11955	3.7
177.12752	8.6
179.10616	6.3
183.11572	5.6
184.20747	2.8
185.13281	23.7
191.14322	65.0
193.15884	4.8
197.13286	3.2
203.14323	81.0
208.05362	2.5
221.15395	32.1
239.08942	5.8
239.16107	31.1
239.18285	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.36696	2.9
55.01873	7.0
55.05515	20.5
57.03420	3.7
57.07063	14.7
57.22861	3.0
59.04983	4.3
67.05505	44.1
69.03416	3.8
69.07063	26.1
69.67149	5.9
69.67556	16.3
71.05005	24.5
79.05499	21.4
81.07051	52.0
83.04974	15.3
83.08628	16.1
85.06545	100.0
87.27654	2.9
91.05482	22.9
93.07039	43.9
95.04964	11.3
95.08049	4.7
95.08612	67.2
97.06515	13.7
97.10155	9.1
97.11784	3.0
98.20689	3.7
99.04441	10.2
99.08071	5.1
105.07034	41.9
107.08590	54.5
109.06503	11.1
109.10161	64.5
111.04424	10.2
111.08105	16.2
111.11689	3.0
113.06006	29.1
113.09628	8.4
117.07011	8.4
119.08587	51.2
121.10150	40.3
123.08112	5.2
123.11685	13.6
125.09618	9.1
131.08600	15.1
133.10132	32.2
135.08089	7.2
135.11690	34.2
137.09650	6.5
145.10143	32.0
146.05972	3.8
147.11679	14.3
149.02338	7.3
149.09610	8.4
149.13269	10.6
153.05460	8.5
159.11713	37.8
161.13254	57.3
163.11177	15.2
163.14833	4.7
167.10677	4.7
173.13217	9.1
175.14830	24.1
177.09081	3.5
177.12735	7.1
177.16405	12.4
179.14291	9.0
181.04773	4.1
181.12257	4.3
189.16165	4.0
191.10664	7.2
191.14325	7.2
191.17917	17.0
192.06415	4.8
193.04892	7.1
193.10164	4.0
195.07854	4.5
201.16400	36.8
209.11696	22.4
219.17468	58.4
237.07497	8.2
237.12712	5.7
237.14651	9.5
237.16495	7.6
237.18492	92.9
237.22095	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	239.1644
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.01559	1.2
53.03941	1.9
55.05513	9.9
57.03431	7.8
57.07056	5.7
59.04993	3.2
63.34415	1.3
65.03919	1.5
67.05507	13.6
69.03418	4.7
69.06773	1.5
69.07077	17.1
69.61005	8.2
71.04999	2.9
71.08615	1.3
79.05502	14.9
81.03423	1.6
81.07063	34.0
83.08601	5.6
85.02897	5.3
85.06530	2.7
89.06030	2.6
91.04961	2.6
91.05486	30.3
93.07049	31.6
95.04985	7.0
95.08046	2.2
95.08608	31.3
97.06525	5.0
99.04468	3.3
103.05446	2.0
105.07040	81.4
107.04938	2.5
107.08605	44.5
109.06535	6.7
109.10172	15.0
111.04407	4.4
111.08105	2.2
115.05432	4.2
117.07031	23.9
119.08588	100.0
120.08928	1.4
121.06522	33.8
121.10146	23.3
123.08100	6.2
123.11686	5.1
125.09616	2.5
128.06216	7.0
129.06993	8.6
130.07761	3.0
131.07576	2.3
131.08574	46.4
133.06476	5.3
133.10141	62.1
135.08096	7.3
135.11708	12.4
137.09605	5.6
137.13216	3.1
141.06956	3.7
142.07814	6.3
143.08565	24.3
144.09341	5.1
145.10139	32.4
146.10913	1.9
147.08054	23.7
147.11688	29.3
149.09615	4.9
149.13260	11.2
151.07623	1.5
151.11191	2.2
153.07008	1.6
155.08577	6.1
156.09381	2.8
157.10147	17.8
158.10896	2.9
159.08096	1.8
159.11705	39.9
160.08858	3.5
161.09637	24.4
161.13280	30.2
163.11227	11.8
163.14825	9.0
165.09138	4.4
165.12773	2.3
169.10117	6.9
170.10951	7.1
171.11650	3.4
173.13287	27.6
175.11195	5.5
175.14839	79.0
177.12770	7.8
179.10651	4.6
179.14355	2.9
183.11732	6.8
185.13280	20.2
191.14323	55.3
193.15839	6.6
195.11723	2.2
197.13275	6.5
203.14336	65.9
204.14633	1.8
211.14862	2.0
221.13353	2.5
221.15381	29.6
224.40543	1.3
239.08897	9.2
239.16399	27.6
239.18129	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03950	5.8
53.14475	3.1
55.01864	9.6
55.05515	68.9
56.98245	3.5
57.03428	4.3
57.07074	8.6
57.42920	3.3
57.83701	3.3
57.99271	3.5
59.05020	3.9
65.03959	4.6
67.05502	30.2
69.03431	12.0
69.07079	33.1
71.04999	53.6
71.10809	9.1
79.05498	31.3
81.07060	78.7
83.04989	94.0
83.08607	5.8
85.06545	10.6
91.05476	24.4
93.07050	47.5
95.04978	27.7
95.08617	40.5
97.06548	31.0
97.10204	3.7
98.36968	3.3
99.08102	11.6
105.07040	67.5
105.07745	3.4
107.04918	4.8
107.08599	63.7
109.06515	22.8
109.10165	40.8
109.46427	3.9
111.06100	3.8
111.08099	18.2
112.40081	3.7
117.07000	16.1
119.08566	27.6
121.06487	7.2
121.10154	59.6
123.04366	4.2
123.08092	17.9
123.11731	29.5
125.09618	12.4
127.07577	5.2
127.11203	29.8
131.08559	21.0
133.09119	4.9
133.10130	100.0
135.08081	12.6
135.11681	24.7
137.09631	5.0
137.13309	5.8
139.11171	29.4
145.10088	32.8
147.11716	18.0
149.02365	10.2
149.09633	10.5
149.13293	21.9
151.11194	71.7
153.12766	13.5
159.11729	32.3
161.13251	8.9
163.07515	5.7
163.11217	11.8
163.14920	5.8
167.14447	3.5
173.13293	9.2
175.11252	4.4
175.14854	6.1
177.12752	10.0
177.16467	3.6
191.14323	7.1
193.04892	9.8
193.15874	5.9
201.12787	11.6
201.16359	21.8
219.13846	18.7
219.17421	44.5
227.02374	7.1
237.07530	7.8
237.14737	17.0
237.18494	68.3
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	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03950	3.5
55.01855	7.6
55.05517	31.4
56.96151	3.2
57.03425	4.2
57.07059	3.9
59.04990	9.3
67.05501	23.4
69.03423	11.2
69.07078	16.3
69.37295	24.6
71.04992	31.7
79.05498	27.1
81.07061	100.0
83.04983	30.0
83.08620	3.9
85.06531	5.0
87.50430	2.9
91.05511	12.8
93.07047	34.3
95.04977	10.1
95.08620	28.8
97.06525	18.2
97.10170	4.8
98.97588	3.7
99.08099	40.1
105.07037	35.0
106.79117	2.5
107.08591	33.0
109.06498	17.3
109.10146	24.5
111.08060	7.6
113.05988	5.4
117.06996	5.3
119.08590	10.1
121.10153	25.9
123.08092	7.3
123.11738	18.3
125.06005	7.6
125.09649	12.4
127.07574	16.6
127.11198	24.5
131.08562	8.9
133.10141	57.6
135.08072	5.1
135.11699	15.3
137.09641	4.9
137.13251	3.7
139.07526	10.9
139.11205	14.2
143.10655	4.7
145.10185	16.3
147.11667	15.2
149.09532	4.4
149.13255	9.7
151.11191	48.4
153.12729	5.5
155.10699	8.2
159.11691	15.2
161.13297	9.9
163.11143	5.4
165.12770	2.8
167.07071	4.8
173.13158	3.7
177.12723	5.5
191.14381	10.2
191.17981	5.4
191.52303	2.8
197.03024	2.6
201.16377	12.1
219.13901	6.9
219.17456	21.7
237.14819	12.4
237.18494	30.6
251.93126	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03939	6.0
55.01879	5.4
55.05267	2.3
55.05515	38.9
56.46338	2.3
57.03434	4.4
57.07064	7.6
59.04985	8.5
63.01235	2.0
65.03922	2.8
67.05514	34.3
69.03438	13.8
69.07074	29.5
71.04999	41.8
71.08645	3.4
71.38873	4.7
78.51271	2.2
79.05499	33.2
81.03394	3.5
81.07063	85.9
83.04985	36.3
83.08611	4.3
85.02895	3.4
85.06526	8.2
87.04463	2.7
91.05061	2.0
91.05495	27.6
93.07045	58.6
95.04970	19.2
95.08061	2.7
95.08618	42.3
97.06532	17.8
97.10158	4.9
99.08109	13.8
104.66151	2.6
105.07037	70.5
106.07342	2.5
107.04953	7.7
107.08604	54.5
109.06528	19.7
109.10159	41.1
111.08081	9.2
115.05457	3.6
117.07040	14.4
119.08577	22.3
121.06486	10.8
121.10152	40.1
123.08060	8.7
123.11726	19.2
125.09618	11.3
127.07529	7.2
127.11220	23.2
131.08574	22.2
133.10135	100.0
135.08044	14.5
135.11713	23.0
137.09579	8.7
137.13261	3.1
139.11165	12.2
141.07001	3.8
142.07683	2.4
143.10687	5.3
144.05609	2.6
145.10143	35.0
147.04427	2.6
147.08101	2.4
147.11676	16.4
149.09608	10.9
149.13246	14.0
151.11198	51.3
153.09128	4.8
153.12753	6.7
155.10684	6.9
159.08052	4.7
159.11700	22.0
161.09598	2.7
161.13312	10.9
163.07446	5.9
163.11191	7.4
173.13293	13.1
175.14871	4.2
177.09088	3.9
177.12767	12.9
177.16396	4.8
183.11646	7.6
185.04169	2.2
191.14311	5.8
191.17911	4.7
201.12784	13.3
201.16415	17.4
219.13948	15.6
219.17462	33.5
237.09203	3.2
237.14796	25.6
237.18512	47.3
237.22046	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	237.087
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
58.20790	0.3
67.05517	0.7
67.08075	0.4
71.58146	0.7
74.02454	4.9
91.05483	1.7
93.07036	0.4
94.06578	4.6
95.04948	0.9
95.08619	0.6
99.00836	1.0
104.05005	0.9
110.06062	0.5
115.16508	0.4
118.06549	7.4
120.04483	2.4
120.08118	1.2
128.04977	4.8
130.06546	6.4
131.07309	0.6
132.04491	2.0
133.05240	1.3
136.07584	7.5
139.17929	0.5
145.07608	0.4
146.06023	100.0
147.06395	1.4
148.03941	6.3
150.05553	1.4
157.07625	5.1
158.06038	1.3
159.09120	0.8
163.08740	0.5
164.07086	1.1
166.08592	0.5
173.07094	1.2
174.05544	8.4
177.28162	0.4
184.78651	0.4
191.08185	6.4
192.06584	4.0
202.05043	3.0
203.08182	4.5
204.11748	0.5
219.07701	1.3
219.17413	0.5
219.84915	0.5
220.06097	1.7
220.08165	0.4
237.08736	5.2
237.12561	0.5
237.18484	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	237.1485
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03933	5.8
55.01880	18.1
55.05519	15.1
57.07072	3.8
65.03951	1.7
67.05508	33.8
68.99789	1.8
69.03407	5.3
69.07072	19.0
71.04998	16.8
71.08651	1.6
71.57932	2.3
72.85061	1.4
79.05499	61.1
81.03426	12.8
81.07057	33.6
83.04981	13.9
83.08607	3.3
85.06548	18.7
87.04453	4.4
91.05486	50.0
93.06478	3.3
93.07053	65.1
95.04981	18.9
95.08617	29.1
95.86786	1.5
97.06535	15.1
97.10139	1.6
99.04457	4.0
99.08086	3.4
101.06006	4.0
103.05458	5.8
105.04522	1.9
105.07036	30.6
107.04961	23.4
107.08605	25.5
109.06539	7.8
109.10164	8.5
111.04417	7.0
111.08096	7.6
113.06019	2.3
115.05464	4.3
117.07026	29.9
117.13884	1.4
118.06534	1.9
119.04939	2.0
119.08595	17.1
120.08094	2.4
121.06512	62.8
121.10136	11.7
123.04409	2.0
123.08068	11.7
123.11720	2.2
125.06005	9.0
125.09606	4.0
129.07016	6.8
131.04984	1.8
131.07593	3.4
131.08572	44.4
133.06482	4.4
133.10138	8.4
135.08066	39.1
135.11664	6.1
137.05957	3.2
137.09610	10.9
139.07541	5.1
141.06984	6.0
142.07806	2.3
143.08524	2.3
145.06535	4.1
145.10136	18.2
146.06033	5.4
147.08051	5.1
147.11693	5.8
148.02078	1.6
148.04823	2.7
149.06003	16.0
149.09619	10.0
149.13229	3.1
151.07530	4.4
153.09032	2.8
155.08556	4.9
157.10110	8.8
159.08049	10.0
159.11736	13.5
161.13307	4.7
163.07567	34.6
163.11201	2.8
163.14877	2.1
165.09183	2.0
165.43987	1.7
167.06975	1.8
168.09395	1.9
173.09714	2.4
173.13269	48.5
173.14688	3.2
175.11206	5.4
177.09109	7.1
177.12766	6.3
181.08574	6.2
183.11713	12.0
191.07068	1.8
191.10713	4.3
191.14316	14.2
191.17863	1.5
195.13805	2.1
201.12750	27.5
201.88640	2.0
209.15369	3.7
219.10258	2.3
219.13838	30.0
219.17406	4.2
237.07536	2.1
237.12880	4.7
237.14859	100.0
237.18428	10.9
237.21919	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	237.0871
Annotation	N,N-Dihydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.00809	0.2
55.05518	0.2
56.96564	1.6
57.03436	0.3
57.07087	0.2
69.03432	0.3
69.07097	0.3
69.51165	0.6
69.51588	0.8
74.02444	5.5
79.85618	0.2
81.03417	0.2
81.07053	0.2
85.02892	0.4
85.34861	0.2
85.40822	0.2
86.09686	0.3
91.05482	0.5
93.07069	0.3
94.06551	0.3
97.02889	0.3
98.20751	0.4
98.97585	1.7
109.37827	0.2
110.97588	0.4
116.98625	0.8
118.06525	1.4
119.24715	0.3
128.04965	3.5
130.06558	0.4
132.04486	0.5
146.06013	100.0
147.03142	0.3
147.06348	1.2
148.03896	0.5
149.48964	0.2
155.04657	0.9
155.54826	0.7
158.06001	0.5
158.99672	0.5
164.05159	0.2
164.55371	0.3
164.81300	0.2
172.49197	0.2
188.05885	0.3
188.38527	0.2
191.08156	0.4
214.03804	0.4
219.07701	1.0
219.17378	0.3
227.02251	0.3
227.57129	0.2
232.04941	0.5
237.08745	2.5
237.18462	0.6
237.22214	0.2
256.48865	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	237.0872
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
55.01876	1.3
56.96566	5.5
57.03434	2.7
59.41602	0.9
67.05491	1.9
69.03440	5.0
69.07066	1.1
70.06589	1.4
70.18148	1.8
70.18539	2.2
71.04991	1.2
74.02449	6.1
81.03421	1.0
81.07069	2.0
83.04993	1.0
83.08607	1.1
84.96067	1.7
85.02900	3.8
87.04469	1.8
91.05469	7.0
93.07032	1.5
93.25542	0.8
94.06568	43.2
95.04962	1.6
95.08609	1.5
97.02886	4.2
98.21419	1.0
98.97601	4.8
99.00806	11.8
103.05479	1.5
104.04994	10.2
105.07033	1.2
105.31927	0.9
107.04920	1.2
110.97567	1.5
115.03910	1.1
116.98632	3.1
117.05750	1.5
118.06546	49.0
119.04980	1.6
120.04471	18.7
120.08117	12.6
122.06053	1.9
123.04420	6.5
127.03907	1.3
128.05005	1.6
128.98595	1.5
130.06514	1.8
131.04953	1.1
132.04463	14.7
134.99692	1.0
136.07584	69.7
137.06064	1.2
146.06010	100.0
146.99672	1.4
147.04402	1.9
147.06296	1.3
147.11647	0.9
148.03934	5.6
150.05516	19.3
156.04448	2.8
158.99689	1.1
159.04436	1.4
162.03181	1.2
163.08688	2.3
164.07062	10.2
167.02905	1.6
173.02811	4.3
174.05513	55.5
177.00769	1.4
177.05467	7.5
179.00146	1.3
185.02899	1.2
191.08260	1.3
192.06560	43.9
197.01172	2.2
199.99924	1.0
202.05003	18.1
208.39061	0.9
219.01790	1.6
219.06500	2.7
220.06062	17.0
221.03802	1.8
227.00302	1.1
227.02327	0.9
232.04936	1.5
237.02855	1.2
237.08998	4.8
237.18451	2.4
237.22156	1.6
238.07083	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	236.1282
Annotation	Lophophorine
Peak:m/z	Relative Intensity
56.05033	0.8
58.27324	0.3
60.04538	1.8
66.93040	0.4
67.05490	0.5
70.61554	1.0
91.05484	4.2
95.04940	0.6
103.05482	1.0
105.07103	0.5
107.04954	1.2
108.05730	0.6
115.05454	2.7
116.06240	0.6
117.07037	6.6
119.04951	1.0
119.08566	1.1
121.06513	13.3
122.87894	0.4
123.04399	0.5
126.16170	0.4
130.04123	0.6
131.04922	5.4
131.07310	0.4
132.05688	1.0
133.06496	2.5
134.07260	1.5
135.08063	1.1
145.06497	3.7
146.07274	38.2
147.04408	1.0
147.06868	0.7
147.08038	3.6
149.05927	0.5
149.09608	1.7
151.06419	0.8
151.07553	9.4
160.07626	0.5
160.08836	0.5
161.05992	0.8
162.06799	5.8
162.09128	6.0
163.55365	0.4
172.07552	0.5
174.09167	2.6
175.09854	0.4
177.09117	100.0
178.09482	0.7
179.74905	0.4
188.07155	0.6
190.08630	2.9
190.16772	0.5
191.10703	1.1
192.10194	2.4
194.11794	4.8
196.58051	0.5
202.08704	3.9
203.09354	1.3
204.10204	10.4
204.12061	0.7
205.10806	0.7
206.08165	0.7
207.08873	1.1
218.11819	1.5
220.09694	8.0
221.10489	4.0
236.12823	84.0
237.13115	0.7
259.10056	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	235.2058
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03945	1.7
55.01869	1.2
55.05516	14.4
57.03429	3.3
57.07079	36.8
58.95451	1.1
65.03948	1.9
67.05508	85.3
69.03428	1.9
69.07068	16.9
69.42038	7.5
71.04974	3.3
71.08635	5.5
79.05497	24.2
81.07062	100.0
83.04985	2.3
83.08620	7.8
85.06548	11.1
85.10200	4.6
86.09708	6.4
91.05481	28.0
93.07051	26.5
95.04953	4.0
95.08612	77.6
97.06540	11.4
97.10171	4.0
99.08092	10.7
105.07040	21.6
106.36427	0.9
107.08601	15.9
109.06500	2.6
109.10164	26.1
111.08086	6.0
113.09647	5.7
117.07010	1.3
118.21384	0.8
119.08587	18.7
121.10149	23.3
123.04422	2.4
123.07240	0.9
123.08031	4.7
123.11709	18.3
125.09665	2.2
127.11189	2.1
131.08575	3.1
133.10143	25.5
135.11693	16.8
137.09676	4.4
137.13255	21.9
139.11194	2.2
145.10112	2.9
147.04419	1.5
147.11699	15.8
149.09619	2.4
149.13264	6.6
151.11197	1.4
151.14809	7.4
153.12706	2.2
159.11760	1.1
161.09662	1.7
161.13268	15.1
163.07552	1.3
163.14819	1.1
165.12737	2.0
173.13240	1.2
175.11183	1.2
175.14819	7.1
177.16466	1.5
178.07886	1.1
179.10709	15.1
180.07797	1.0
189.16452	6.0
191.18018	1.6
217.12317	1.0
217.15881	3.0
217.19525	43.0
235.07565	2.7
235.13297	1.7
235.15027	1.6
235.16945	59.0
235.20584	75.8
236.20889	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	236.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01870	5.5
55.05506	12.0
56.96572	58.6
57.03428	9.2
57.07063	10.3
58.07379	2.6
60.04532	16.9
61.02906	5.8
65.55776	2.2
67.05508	4.7
69.03442	21.9
69.07073	2.7
70.06583	7.3
71.58751	2.9
72.08148	5.5
73.02934	11.8
73.06544	9.5
79.05496	3.6
79.83704	2.8
81.03427	8.4
83.01380	2.4
84.04525	4.0
84.08162	3.4
84.96015	6.8
85.02913	28.1
86.06078	2.8
86.09685	5.2
87.04472	5.2
91.05470	4.4
92.03086	2.9
95.00732	2.2
95.04958	4.2
97.02905	24.7
98.97595	50.6
99.04454	4.5
102.03343	2.3
103.07573	2.6
106.05027	30.5
107.04970	26.3
109.02870	5.7
110.01271	5.8
110.07144	3.6
110.97572	7.5
112.07614	7.9
116.98634	27.6
119.01830	10.7
119.03593	3.2
119.04942	2.8
120.08081	8.2
121.02888	3.9
121.06513	4.8
127.03967	4.5
128.02327	4.6
128.98622	10.2
130.08647	9.6
130.52629	2.2
131.00232	3.0
134.99643	8.5
137.05965	3.2
143.00168	3.6
145.01732	5.6
145.04919	3.0
146.04144	6.9
146.06000	10.3
146.99637	7.8
147.03259	9.1
147.04329	5.5
148.04767	6.9
148.07498	2.8
154.08556	2.6
155.04663	100.0
155.54816	5.9
156.03398	5.2
158.99707	15.7
161.01253	7.8
161.04865	4.0
163.02863	5.6
164.02296	3.2
164.05211	28.3
165.04341	10.1
166.55492	8.9
167.07043	3.3
170.99652	6.5
173.02945	3.4
174.04375	5.1
174.11279	3.8
177.00745	15.3
179.10712	3.4
180.11014	7.9
182.03394	11.3
182.05089	3.0
186.04411	4.7
186.06013	2.6
187.04662	3.4
188.05244	2.9
189.00731	4.9
189.04369	2.8
191.04024	5.2
191.05786	8.9
194.03310	4.4
204.05486	5.8
206.06247	3.4
207.05516	3.6
212.04553	4.1
213.00697	8.3
218.06224	4.6
219.01782	10.2
219.07877	3.4
227.06824	20.9
231.01570	3.6
231.03587	4.4
236.07310	9.9
236.09283	4.9
236.11211	6.3
236.13191	4.4
236.17293	28.5
237.02821	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	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.61868	1.1
53.03942	3.0
54.95186	1.3
55.01865	3.7
55.05516	17.6
57.03432	3.6
57.07081	56.1
57.07370	2.6
58.67517	1.1
59.05017	1.7
67.05508	81.9
69.03437	7.9
69.07072	21.7
71.04990	4.6
71.08622	4.3
71.59048	1.6
79.05497	32.0
81.07063	95.4
83.04973	4.2
83.08626	10.4
83.97173	1.4
85.06541	12.3
85.10165	4.2
86.09704	6.7
91.05482	33.0
93.07054	37.9
95.04972	6.3
95.08614	79.0
97.06539	11.7
97.10159	4.7
99.08087	8.0
102.83877	1.4
105.07043	24.8
107.04951	1.8
107.08599	23.6
109.06528	5.6
109.10164	28.7
111.04471	1.3
111.08068	7.4
113.09643	4.4
117.06995	2.1
119.08585	38.5
121.06546	1.9
121.09306	2.4
121.10146	29.9
123.04408	3.7
123.08089	8.2
123.11717	17.6
125.09632	2.6
127.11172	1.9
129.07048	1.6
131.08572	3.8
133.06479	2.4
133.10143	33.6
135.08070	3.8
135.11697	19.1
137.09625	6.6
137.13249	20.5
139.11200	1.5
143.08577	2.7
144.40825	1.4
145.10138	3.7
147.04407	2.4
147.08086	2.4
147.11707	20.4
149.09546	2.0
149.13293	6.3
151.07590	2.8
151.11182	2.8
151.14864	7.9
153.09140	3.8
157.10141	4.2
159.11696	5.1
161.06000	2.9
161.09723	2.4
161.13295	14.7
162.06720	2.7
163.07559	2.1
163.14795	2.1
165.09082	1.7
165.12718	1.4
173.13304	2.9
175.07573	1.7
175.11182	3.3
175.14833	11.7
177.09169	1.4
179.07086	2.8
179.10689	27.5
179.14224	1.4
180.07820	3.7
189.12770	2.3
189.16388	36.1
191.17935	4.9
193.08528	2.2
193.12158	1.3
199.14888	3.0
202.09824	1.2
205.10257	1.7
207.17464	3.0
217.12274	4.2
217.16068	9.0
217.19539	38.6
220.12563	2.1
235.07622	1.8
235.13242	29.5
235.16943	100.0
235.20581	69.5
236.17151	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	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
51.75814	2.0
53.03941	2.9
55.05518	10.8
56.05032	4.6
57.07075	16.5
59.04975	3.6
67.05513	22.6
69.03442	3.2
69.07065	12.9
69.38561	5.1
69.38972	16.8
71.05003	25.8
72.94369	2.2
73.06563	2.5
74.14784	2.3
74.15342	2.5
79.05506	14.9
81.07062	31.8
83.04989	4.3
83.08605	6.8
85.06548	3.6
86.09696	2.5
88.07652	3.0
89.06030	9.3
91.05486	18.1
93.06475	2.7
93.07049	43.8
95.04971	9.8
95.08611	34.6
97.06557	4.7
97.10172	4.7
98.21520	4.5
105.07037	50.3
107.04944	4.0
107.07857	3.9
107.08608	81.8
109.06542	11.1
109.10165	39.5
111.08095	19.8
115.05370	2.1
117.07024	5.1
119.08584	44.9
121.06524	5.3
121.10155	33.6
123.08107	2.8
123.11697	4.1
125.09633	34.0
127.07514	3.5
127.11221	2.5
128.67175	2.2
131.08598	18.7
133.09261	2.6
133.10158	32.8
135.08057	3.9
135.11694	24.8
137.09660	3.9
139.07518	3.9
143.08568	6.0
145.10156	20.3
147.08061	7.7
147.11694	75.5
149.09625	3.6
149.13226	6.4
153.12698	3.5
157.10147	6.1
159.11714	9.5
161.09639	8.2
161.13287	11.2
163.11218	3.6
165.12749	8.9
173.13283	7.4
175.11188	9.5
175.14851	17.1
179.10680	11.3
187.18851	9.8
189.12799	3.2
189.16408	54.8
193.15919	3.9
196.34000	2.4
199.14928	10.5
212.82225	2.5
217.15892	39.3
235.13297	5.1
235.16940	100.0
235.20682	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	235.1694
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
53.03944	3.1
55.01875	2.5
55.05524	11.7
57.07083	23.3
59.04988	1.5
67.05510	18.4
69.03439	3.6
69.07076	15.1
71.04649	1.9
71.05000	23.9
73.06522	2.5
75.38120	1.7
79.05498	14.9
81.03400	2.2
81.07066	34.8
83.04964	6.4
83.08603	5.5
85.06562	3.6
86.09719	3.5
87.08122	1.6
89.06027	5.9
91.04951	2.3
91.05484	23.6
93.07055	34.2
95.04964	12.6
95.08044	2.5
95.08614	32.4
97.06538	3.7
97.10149	2.3
98.21600	1.4
99.08103	2.7
103.57230	1.4
105.07043	46.3
106.07300	1.7
107.04948	2.1
107.08606	63.9
109.06530	10.9
109.10170	31.7
111.08108	16.4
115.05460	3.6
117.07026	4.6
119.08595	42.6
121.06523	9.3
121.10159	27.5
123.08066	6.7
123.11694	3.7
125.09642	26.0
128.06201	1.5
129.06978	2.1
130.07799	2.2
131.08585	14.4
133.06543	2.4
133.10141	31.5
135.08061	4.8
135.11703	22.5
137.05916	1.9
137.09615	3.6
139.07582	2.2
139.11147	1.6
142.07791	3.2
143.08569	5.9
145.06487	2.0
145.10132	20.0
147.08055	8.0
147.11700	71.7
149.09587	7.2
149.13275	4.8
151.07524	2.4
153.12758	4.0
157.10155	11.5
159.11668	11.8
161.09645	9.4
161.13228	9.1
163.11165	2.9
165.09081	2.9
165.12791	7.8
171.11708	4.1
173.06020	2.1
173.09656	2.0
173.13316	8.3
175.11256	12.7
175.14868	13.4
177.12782	2.9
179.10701	13.6
189.12743	3.0
189.16412	40.0
193.12239	1.9
193.15958	5.8
199.14816	6.6
217.12402	3.3
217.15918	31.7
217.19533	4.0
235.13147	4.1
235.16943	100.0
235.20688	5.3
236.17288	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	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
50.32287	1.2
53.03940	1.2
55.01869	3.3
55.05518	8.0
57.03427	1.2
57.06821	1.8
57.07078	21.2
59.04993	3.5
67.05515	14.6
69.03412	4.9
69.06791	1.2
69.07077	13.1
69.94407	5.3
71.04980	3.9
79.05495	12.2
81.03401	1.4
81.07057	21.6
83.04978	3.0
83.08627	5.3
85.06536	4.9
86.09711	5.9
91.05479	17.3
93.07053	19.3
95.04965	7.7
95.08617	25.5
97.06557	7.6
99.08089	1.3
99.73640	1.0
103.05495	1.9
105.07030	29.9
107.04951	2.3
107.08598	31.8
109.06496	6.4
109.10158	15.8
111.08086	5.1
115.05461	1.9
117.07001	4.2
119.08588	88.1
121.02840	1.1
121.06495	3.5
121.10140	15.7
123.04456	2.4
123.08082	7.0
123.11721	5.6
125.09647	1.5
128.06223	1.9
129.07004	3.0
131.08571	16.1
133.06516	1.5
133.10132	46.5
135.08044	14.8
135.11678	7.0
137.05992	1.5
137.09605	6.0
137.13261	1.5
139.11169	1.8
142.07771	3.1
143.08566	9.4
144.09364	1.8
145.06563	1.3
145.10138	12.5
146.07240	3.0
147.08047	4.8
147.11690	20.9
149.02328	2.0
149.09631	3.3
149.13272	3.8
151.11186	7.6
156.09352	4.8
157.10133	15.9
158.10928	2.6
159.11690	13.2
160.08804	1.7
161.09631	32.0
161.13266	6.2
165.09175	1.2
165.12779	1.8
169.10188	1.8
170.10866	1.6
171.11708	8.3
173.13277	17.1
175.11203	11.8
175.14830	18.3
177.12721	5.2
179.10692	20.7
182.34521	1.1
184.12491	2.3
187.11179	3.0
187.14809	3.6
189.12764	3.2
189.16376	25.7
191.14314	2.8
193.15878	2.7
199.14821	10.4
202.13553	2.4
207.17531	1.2
212.23415	1.2
217.15889	84.6
217.19492	4.5
235.16933	100.0
235.20287	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	235.1329
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03930	6.2
55.01862	7.9
55.05510	13.2
57.07087	12.4
60.46877	1.7
65.03929	3.8
67.05515	27.6
69.03421	6.4
69.07066	12.6
69.62614	12.7
69.63010	3.2
71.04995	9.5
79.05066	3.3
79.05498	56.8
80.57319	1.8
81.03425	3.1
81.07061	92.4
81.97570	1.7
83.04995	14.3
85.06535	5.2
86.09697	2.9
91.05482	32.9
93.07053	58.4
95.04968	27.0
95.08613	19.7
97.05981	2.9
97.06538	30.2
99.04446	6.6
101.06030	2.5
105.07037	54.6
107.04964	12.5
107.08597	29.5
109.06528	50.8
109.10127	10.7
111.04476	2.1
111.08060	5.5
113.06030	3.0
115.05424	2.7
117.07022	7.7
119.04929	2.8
119.08591	34.9
121.06514	97.0
121.10125	11.4
122.07264	2.3
123.04443	6.0
123.08057	6.8
123.11700	5.9
125.05993	5.0
125.09616	5.5
127.07562	21.2
128.06206	7.9
129.07005	15.4
130.07831	2.2
131.04959	2.0
131.08577	20.0
133.06528	15.3
133.10127	20.5
135.04449	9.8
135.08055	25.0
135.11674	4.3
137.05980	12.9
139.07535	4.8
141.06984	3.5
142.07797	13.8
143.08571	28.4
145.06479	4.1
145.10115	17.6
147.04460	2.1
147.08054	16.1
147.11703	30.1
149.06004	4.3
149.09628	2.8
149.13237	5.1
155.08566	6.7
156.09326	10.4
157.06483	2.1
157.10141	49.3
159.08049	4.6
159.11681	4.6
160.08821	4.0
161.05974	4.0
161.09604	6.4
161.13242	12.2
162.10431	2.4
165.06979	2.2
165.12772	2.1
166.07796	4.9
167.07043	2.7
171.08127	2.5
171.11702	34.5
173.09660	6.5
173.13258	3.4
175.07585	4.0
175.11200	52.2
175.14796	5.3
179.10651	10.5
181.10088	9.0
184.08791	4.5
189.09149	3.0
189.12761	40.6
193.12166	3.8
199.11189	47.8
199.14885	3.0
211.07811	2.2
217.12251	100.0
217.15639	3.5
217.19516	3.7
226.20229	2.3
235.13293	69.4
235.16882	33.9
235.20515	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	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.75213	0.9
55.01874	1.0
55.05507	7.4
57.03429	1.4
57.07067	2.8
59.04999	0.9
63.41654	0.9
65.03954	0.9
67.05507	12.5
69.07069	10.6
69.45022	6.9
71.04979	1.9
72.96803	0.8
79.05493	9.2
81.03372	0.9
81.07063	24.0
83.04974	2.5
83.08610	4.1
91.05476	9.2
93.07053	17.6
95.04964	2.1
95.08611	38.0
97.06519	2.9
97.10171	2.2
98.20742	1.7
99.08143	0.9
105.06378	1.6
105.07032	18.9
107.08603	33.5
109.06507	3.5
109.10162	29.6
111.08061	3.6
111.11713	1.2
116.06259	0.9
117.07015	6.0
119.08588	33.7
119.09455	1.7
121.06509	2.5
121.10146	25.7
123.08042	3.9
123.11727	5.4
125.09650	8.3
129.07024	1.5
131.08569	12.7
133.10133	19.0
135.08035	1.8
135.11708	12.1
137.09598	3.6
137.13214	1.6
139.11182	1.8
143.08621	1.3
144.09329	2.1
145.10129	24.6
147.07896	1.0
147.11688	11.1
149.09651	2.8
149.13240	13.4
151.11253	1.3
157.10152	2.2
158.10876	1.1
159.11696	33.3
161.13251	7.7
163.11185	3.6
163.14796	3.5
171.11707	1.3
173.13277	15.8
174.13759	1.0
175.14836	12.8
177.12733	5.8
177.16406	4.1
178.06253	1.0
185.13153	1.0
187.14824	18.8
189.16379	6.4
191.14349	1.5
191.17924	1.1
197.13264	1.1
203.17899	2.4
205.16066	1.1
205.19528	11.8
215.14519	2.2
215.17960	50.1
216.18402	1.5
233.15622	8.7
233.19011	100.0
234.19330	2.1
249.15280	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	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03942	3.0
55.01859	2.2
55.05508	11.8
55.15833	1.0
57.03421	3.3
57.07075	6.5
58.46773	1.0
59.05007	1.1
60.07028	0.9
65.03952	1.4
67.05508	37.9
69.03420	1.7
69.07071	12.2
69.56896	7.3
71.04998	7.2
77.03934	1.5
79.05495	68.3
81.07062	41.5
83.04963	2.8
83.08629	7.4
85.06536	7.3
91.05486	35.1
91.05915	0.6
93.07050	75.9
95.04983	5.4
95.08613	28.4
97.06535	8.0
97.10156	1.7
99.08091	4.6
105.04466	1.5
105.07035	26.9
107.04942	3.0
107.08602	45.7
109.06498	4.0
109.10161	11.7
111.08083	9.1
117.07018	12.6
119.08590	19.8
121.10149	40.6
123.08083	2.7
123.11717	8.5
125.09608	3.5
129.06979	1.3
130.07748	1.3
131.08577	32.0
133.10135	26.2
135.08075	4.8
135.11700	48.3
137.09650	5.2
137.13190	1.8
139.11179	2.0
144.09361	1.1
145.09026	1.9
145.10127	29.0
147.11699	17.2
149.09624	6.0
149.12167	1.7
149.13274	25.5
151.11183	4.8
159.11688	24.9
161.13252	5.5
163.11172	1.4
163.14873	1.5
171.11690	1.8
173.13264	18.6
175.11206	2.1
175.14893	2.3
177.12767	1.7
187.14810	9.3
188.48772	0.9
189.16422	4.0
191.03387	1.0
191.14374	4.9
202.34915	0.9
205.19562	1.8
215.07111	1.6
215.14525	2.0
215.17966	65.1
233.15581	8.7
233.19011	100.0
234.19348	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	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03938	3.3
53.60658	0.6
55.01856	2.3
55.05265	1.0
55.05514	14.5
56.15479	0.6
57.03438	3.5
57.07080	7.7
57.52542	0.6
57.81743	0.6
65.03926	1.8
66.67860	0.7
67.05508	39.0
69.07071	11.5
70.67802	1.5
70.68135	0.7
71.04711	0.5
71.04995	5.9
71.08621	1.6
72.97877	0.6
77.03913	1.3
79.05496	63.5
80.05821	0.8
81.07060	43.4
83.04964	1.6
83.08620	7.9
85.06552	8.1
91.05486	33.1
93.07050	76.1
95.04952	6.2
95.08611	28.0
97.06537	7.8
97.10168	1.8
99.08102	4.9
103.05428	0.8
105.04546	1.1
105.07034	23.5
107.08599	47.5
109.06541	4.8
109.10172	11.0
111.08076	6.7
113.09635	1.5
115.05439	1.3
117.07027	10.8
119.07784	1.3
119.08587	19.7
121.10149	45.2
122.10465	1.0
123.08082	3.7
123.11700	6.9
125.09622	2.8
129.06999	1.4
131.08575	28.6
133.10135	25.2
133.10936	0.5
135.08099	3.4
135.11699	52.0
137.09648	4.1
137.13272	2.0
139.11185	1.0
145.10127	28.0
145.11287	1.5
147.11682	16.5
149.09642	4.8
149.13266	25.4
151.11203	4.9
159.10437	1.3
159.11705	22.6
161.13274	5.1
163.11191	2.4
163.14842	1.1
165.12775	0.8
171.11737	1.1
173.13269	18.4
175.14813	2.3
177.12715	1.6
187.14842	8.7
189.16411	4.4
191.14326	1.0
205.16028	1.2
205.19563	2.3
215.17964	70.5
216.18336	1.8
219.28882	0.6
233.19012	100.0
234.19298	1.8
244.99504	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	233.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
51.10237	1.0
53.03934	4.0
54.25331	0.9
55.01878	2.2
55.05269	0.9
55.05512	15.6
57.03416	3.0
57.07083	9.3
65.03930	2.2
67.05508	40.9
69.03426	1.2
69.07074	14.1
70.66074	2.3
71.05004	7.2
71.08621	1.8
77.03915	1.8
79.05496	64.7
80.06230	1.0
81.07061	44.7
83.04944	1.8
83.08614	8.6
85.06548	8.3
91.05483	36.6
93.07050	76.5
95.04973	5.4
95.08614	32.6
97.06543	8.5
97.10171	2.6
99.08098	6.5
103.05452	1.3
105.07037	26.4
107.04955	1.6
107.08598	47.3
109.06544	5.1
109.10159	14.8
111.08083	7.5
113.09664	1.3
113.95930	1.1
115.05444	1.6
117.07027	11.6
119.07794	1.5
119.08591	25.8
121.06472	1.8
121.10146	43.3
123.08054	3.9
123.11703	8.7
125.09662	2.8
129.06992	1.8
130.07799	1.3
131.08574	35.4
133.10139	28.8
135.08040	3.8
135.11700	55.6
137.09583	4.0
137.13239	1.7
139.11131	1.8
143.08546	2.5
145.09032	2.0
145.10133	27.9
147.11693	19.9
149.05951	1.6
149.09644	6.4
149.13263	26.8
151.11186	4.8
157.10121	1.9
159.08057	2.0
159.11697	24.8
159.13000	1.4
161.13264	5.5
163.07547	2.0
163.11237	2.3
163.14796	1.6
171.11650	1.9
172.12486	1.2
173.09676	1.2
173.13278	18.8
175.14804	3.8
177.05396	1.4
177.09050	1.9
177.12732	1.5
178.06264	1.5
187.11253	1.8
187.14842	12.0
189.16373	4.8
191.14343	1.4
205.19754	2.0
215.14423	3.3
215.17963	68.1
216.18324	1.6
233.11678	2.9
233.15541	13.2
233.19008	100.0
234.16180	1.5
234.19127	1.4
239.27795	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	233.1539
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03939	3.1
54.14295	1.1
55.01863	1.5
55.05501	4.8
56.90370	0.9
57.07067	3.5
59.04996	1.7
67.05510	6.0
69.03437	6.6
69.07078	5.5
71.04993	1.5
71.59422	1.6
73.64910	1.0
77.03931	1.0
77.05742	0.9
79.05502	47.9
81.03417	1.5
81.07061	9.3
83.04985	2.9
83.08613	5.0
85.02908	1.4
85.06521	2.9
91.05493	13.1
93.07047	10.2
93.90707	0.9
95.04984	7.1
95.08607	7.9
96.35902	1.0
97.06538	3.4
103.05489	1.8
105.07032	20.5
107.04967	42.3
107.05703	2.3
107.08607	14.6
109.06506	3.9
109.10159	4.5
111.08076	4.3
115.05453	2.0
117.07026	7.9
119.04938	1.1
119.08597	20.5
121.06509	3.0
121.10142	9.0
123.08083	3.5
123.11762	1.8
125.06017	1.7
125.09597	3.7
128.06184	2.1
129.06985	4.2
130.07782	1.3
131.08577	20.8
133.06522	1.6
133.10146	13.1
135.08063	4.9
135.11720	2.6
137.05969	1.2
137.09634	4.4
139.07532	1.3
142.07768	1.7
143.08553	3.7
144.99808	1.2
145.06471	4.4
145.10141	23.5
147.04335	1.2
147.08051	18.0
147.11707	14.0
149.06021	1.2
149.09689	7.2
149.13284	3.2
149.92807	1.1
153.09102	1.0
156.09367	2.1
157.10109	6.0
158.10921	3.2
159.08083	4.0
159.11714	7.7
159.91409	1.1
160.05200	1.0
160.08885	2.2
161.05980	1.4
161.09639	2.7
161.13272	2.8
163.03920	1.6
163.07565	3.1
163.11172	5.0
167.08583	1.3
169.10173	2.1
171.11714	3.6
172.12540	1.7
173.09697	5.4
173.13274	12.8
175.11211	21.4
177.09109	2.9
182.10925	1.8
187.07515	2.0
187.11198	3.9
187.14833	15.1
189.09164	1.7
189.12788	4.9
191.03455	9.6
191.07047	1.9
191.10684	1.5
191.14331	52.0
197.09621	1.4
197.13281	3.6
205.06712	1.5
205.12265	2.5
205.15796	1.5
215.07031	1.9
215.10742	5.3
215.14355	12.3
215.18027	2.1
233.06041	2.3
233.08110	4.6
233.11649	4.2
233.15387	100.0
233.18813	10.1
234.15860	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	233.1537
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03939	3.0
55.05513	15.0
57.03425	2.1
57.07066	4.0
59.04985	1.8
65.03934	4.3
65.13811	2.0
67.05515	19.0
69.03423	5.1
69.07067	18.4
69.33609	10.5
69.34035	5.4
71.04983	2.7
79.05496	27.2
81.07065	36.3
83.04978	3.4
83.08628	14.6
91.05489	64.3
93.06543	2.4
93.07056	28.7
95.04977	13.8
95.08617	35.7
97.06530	7.3
97.10167	4.0
103.05448	7.5
105.07042	72.4
107.04967	8.4
107.08607	29.3
109.06522	7.7
109.10165	16.0
111.04456	1.7
111.08081	3.5
115.05490	4.1
116.06226	3.3
117.07035	28.5
119.04951	13.0
119.08588	66.1
121.06478	7.3
121.10147	19.9
123.08095	4.4
123.11718	2.8
125.05996	3.2
128.06169	2.2
129.07004	6.0
130.07785	5.4
131.04922	3.3
131.08583	57.2
133.06483	6.4
133.10136	29.0
133.21306	1.7
134.10872	2.1
135.04457	2.8
135.08043	5.4
135.11707	17.7
137.05984	13.3
139.07544	5.9
141.06979	2.8
142.07774	2.7
143.08574	9.2
144.09361	4.3
145.06494	5.7
145.10133	64.7
147.08058	5.7
147.11716	15.8
149.05992	4.2
149.09650	9.2
149.13255	2.2
151.07549	8.1
154.07745	2.2
155.08543	7.7
157.10124	9.4
158.10889	5.5
159.08076	17.6
159.11705	41.4
161.09692	2.8
161.13264	90.8
163.07553	13.7
163.11192	3.5
165.09097	1.9
167.08595	4.0
169.10133	7.7
171.11679	5.8
173.09642	23.7
173.13269	15.0
175.07658	1.8
175.11179	3.8
177.05566	2.3
177.09122	21.2
182.07300	1.8
182.10896	7.1
187.07471	2.1
187.11224	13.9
187.14841	79.5
189.12682	2.3
189.16426	3.3
191.10666	6.1
191.14337	5.3
197.13255	17.2
200.12042	2.5
205.06601	4.4
205.08586	1.9
205.12088	1.9
205.15897	2.9
215.07007	3.2
215.10751	5.5
215.14331	63.6
215.17938	5.9
233.08095	5.2
233.11665	5.6
233.15382	100.0
233.18777	9.6
233.22821	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	233.1174
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
52.99696	1.2
53.03937	4.0
55.01860	4.1
55.05497	7.0
57.03445	1.7
57.07064	2.6
59.04976	1.4
65.03931	3.0
67.04419	1.2
67.05508	14.2
69.03130	1.3
69.03433	15.4
69.07059	7.6
70.06593	2.0
71.04984	5.8
71.59285	2.3
75.41724	1.4
79.05495	19.5
81.03403	2.6
81.07064	23.3
83.04982	2.8
83.08599	2.8
83.68035	1.4
85.02905	2.7
85.06538	4.7
87.04463	1.7
88.07638	2.6
91.05489	40.5
91.06065	2.0
93.07053	26.6
95.04975	13.3
95.08614	18.0
97.06523	5.7
99.04456	15.1
103.05481	6.6
105.07036	65.3
106.08695	1.8
107.04964	6.7
107.08598	14.3
109.06543	6.6
109.10164	6.5
111.04422	1.9
115.05459	6.4
116.06223	3.2
117.07022	30.5
119.04951	17.7
119.07782	2.7
119.08588	35.4
121.06522	17.8
121.10118	8.1
123.04414	1.5
123.08105	1.9
123.11723	1.8
125.05958	3.4
128.06224	8.5
129.07005	21.4
130.07791	11.5
131.04948	6.7
131.08580	44.1
133.06467	6.1
133.10139	19.7
135.04478	2.8
135.08055	5.7
135.11711	5.4
137.05986	11.6
137.09547	2.1
139.07538	1.9
141.06990	6.0
142.07784	2.9
143.08569	14.9
144.05695	2.9
144.09361	8.0
145.06509	18.9
145.10136	100.0
146.07272	3.4
146.10445	1.8
147.08029	7.6
147.11670	10.1
149.05980	5.5
149.09605	3.4
149.13251	3.5
151.07504	6.3
153.07050	1.8
154.07745	6.8
155.08516	6.3
156.09372	2.1
157.06464	4.1
157.10121	5.2
158.07283	11.9
159.08067	17.2
159.11705	58.9
159.13033	3.0
160.05156	2.4
161.05994	2.1
161.09653	6.0
161.13252	16.5
163.07568	7.9
163.11206	12.5
165.09143	2.3
168.09254	1.3
169.10155	17.4
171.08063	2.4
171.11696	6.8
172.05220	4.4
172.08824	5.0
173.05974	2.8
173.09636	76.6
173.13133	7.2
174.06758	5.8
175.07558	9.6
175.11194	4.7
175.14926	2.4
177.09160	6.4
177.12740	4.8
178.07811	1.5
179.08521	2.8
182.07242	2.8
187.07616	6.3
187.11195	84.0
187.14815	27.2
189.09087	8.1
189.12753	4.3
189.16342	1.8
191.07005	3.0
191.10687	9.8
191.14325	2.4
197.09590	10.5
197.13315	4.2
205.06534	5.3
205.08411	1.9
205.12218	11.9
215.07198	2.7
215.10693	62.3
215.14151	17.0
215.17987	4.2
215.21999	3.1
216.11072	2.3
233.05974	3.3
233.08240	11.6
233.11736	63.1
233.15327	34.6
233.19093	7.5
233.23059	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	231.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.0
57.07069	2.0
67.05177	1.6
67.05508	23.4
69.07068	10.6
69.27083	11.3
79.05493	9.1
81.07065	31.7
83.08639	6.3
91.05478	8.3
93.07052	26.5
95.08610	56.0
97.10142	1.8
105.04535	1.2
105.07038	18.5
107.08606	33.1
109.10160	33.1
119.08583	15.7
121.09302	2.2
121.10149	29.7
123.11715	22.6
131.08598	3.1
133.10138	9.6
135.11700	31.7
137.13249	5.1
143.08511	2.5
145.10164	2.5
147.11679	16.6
149.13268	16.0
157.10168	2.1
159.11746	1.1
161.13260	21.3
163.14848	1.9
173.13283	1.8
175.14841	17.7
185.13268	7.6
187.14839	1.5
189.16386	12.0
213.12764	1.9
231.13861	4.7
231.21094	100.0
232.21454	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	233.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70379	1.3
70.77864	3.7
84.08128	1.4
101.00880	6.8
112.89593	1.3
114.89317	2.4
116.50529	1.2
119.01913	11.3
143.01917	13.6
155.32060	1.2
161.02971	29.3
191.03923	1.9
233.06352	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	233.081
Annotation	Wettstein A
Peak:m/z	Relative Intensity
50.74392	0.8
53.03937	1.3
55.01855	1.2
55.05504	2.5
57.03437	1.4
58.82175	0.9
59.04981	0.8
67.05498	3.1
69.03421	3.3
69.07071	2.0
69.50453	5.9
70.68022	0.8
71.04981	1.9
79.05483	3.5
81.03412	1.0
81.07053	7.0
82.43753	0.8
83.05002	1.3
85.02903	2.5
85.22369	0.7
88.63403	0.9
91.05479	10.6
92.06255	0.9
93.07045	6.1
95.04972	4.5
95.08624	4.4
97.06528	2.9
99.04442	1.9
102.04736	0.9
103.05487	2.1
104.06200	0.8
105.07041	11.8
107.04945	2.2
107.08607	5.5
109.06509	1.9
109.10164	1.9
115.05453	11.0
116.06252	9.0
117.07034	14.0
119.04927	2.4
119.08580	7.8
121.06511	3.0
121.10137	2.7
123.08085	2.0
127.05441	1.4
128.06238	2.1
129.06987	3.6
130.07790	1.9
131.04918	3.6
131.08582	7.9
132.05742	1.2
133.06479	1.6
133.10191	3.9
133.10985	0.8
135.08075	5.1
135.11655	1.1
137.05981	1.7
141.07008	1.0
143.08577	3.1
144.05722	15.0
144.09343	1.9
145.06502	14.7
145.09023	1.2
145.10133	15.7
147.04391	4.4
147.08031	3.1
147.11682	3.4
149.09608	1.4
154.07828	0.9
155.06073	1.8
155.08577	1.1
157.06468	2.0
157.10121	2.2
158.07309	1.5
159.04414	1.1
159.08061	3.5
159.11691	8.0
160.05197	3.1
161.06042	4.4
161.13240	1.3
162.06715	1.8
163.07599	0.9
163.11153	2.1
169.10138	2.9
171.04506	1.5
171.11613	1.3
172.05203	57.4
172.08745	1.6
173.05899	3.1
173.09622	10.6
173.13258	4.3
174.06784	1.0
175.03905	2.6
175.07451	2.1
175.11200	1.5
177.09120	1.7
187.07549	2.7
187.11200	9.8
187.14838	5.8
189.05493	2.3
189.09125	1.2
189.16478	1.0
190.06276	10.7
191.07004	1.2
191.10651	2.1
197.13304	1.1
200.04703	15.0
203.07053	1.2
205.06570	3.0
205.08583	21.4
205.12218	1.6
205.15979	1.0
215.07014	1.1
215.10756	7.1
215.14333	4.4
215.17986	1.7
218.05750	25.9
218.07729	1.8
233.08090	100.0
233.11832	6.4
233.15356	13.3
233.18965	3.6
234.08395	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	231.1745
Annotation	(1S)-7-Methoxy-1,2-dihydrocadalene
Peak:m/z	Relative Intensity
53.16764	1.0
55.05511	4.2
55.21046	1.1
57.07068	4.6
58.07417	1.6
62.06087	3.3
67.05509	9.1
69.03426	4.0
69.07075	5.1
71.05002	1.3
71.08624	2.3
71.17849	1.8
79.05488	6.0
81.03430	1.7
81.07069	11.5
83.08631	1.6
86.86984	0.9
91.05483	8.0
93.07051	13.3
95.04968	6.2
95.08608	21.4
97.06535	1.4
99.08142	1.1
105.07035	21.1
105.88631	1.2
107.08613	15.7
109.06506	2.3
109.10156	13.8
117.07013	4.4
119.08588	21.5
121.06531	6.2
121.10159	7.2
121.69646	1.0
123.08081	3.3
123.11755	2.1
127.03912	1.1
128.06206	2.5
129.06996	5.7
130.07751	1.1
131.08575	12.4
133.06487	2.7
133.10156	11.2
135.08064	4.0
135.11732	2.5
137.09631	2.0
142.07800	7.2
143.08577	12.3
144.81326	1.1
145.10129	15.9
147.08141	4.9
147.11726	8.3
149.09628	2.9
155.08488	1.1
156.09370	2.9
157.10146	23.9
158.10878	2.2
159.11713	9.0
161.09627	14.0
161.13255	4.6
163.11194	1.4
169.10066	1.7
170.10933	3.9
171.11702	14.1
173.13269	10.0
175.11183	10.8
175.14926	1.5
184.12518	1.3
185.13268	14.4
187.14857	4.3
189.12750	3.8
189.16403	3.4
198.14020	1.6
201.16444	1.7
203.14325	2.7
203.17958	7.4
213.16394	28.8
213.23949	2.0
231.13736	2.8
231.17461	100.0
231.25137	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	231.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	11.7
60.04517	4.5
60.05631	2.8
63.95048	1.0
70.06596	81.8
70.92471	2.2
70.92799	1.4
71.04996	29.7
72.08146	1.1
73.06548	1.4
73.68369	0.9
81.03407	2.8
81.07072	1.2
84.96044	1.9
88.03995	23.4
91.05444	1.2
95.06094	9.3
97.02903	1.1
97.07683	1.8
98.06063	6.3
98.97598	21.3
99.04435	2.1
99.97935	2.2
101.00886	2.2
102.05538	2.6
111.09203	1.5
112.07614	26.3
112.08725	7.4
112.99117	2.1
113.06020	9.1
113.07178	1.5
114.10350	0.9
115.08700	16.0
116.98619	11.6
119.01957	2.2
119.08533	0.9
128.07094	2.9
130.08636	20.6
131.00204	1.1
131.07031	1.4
131.08588	1.3
134.99652	2.9
139.08662	2.9
140.07072	5.3
140.08142	1.8
143.08527	2.0
145.10135	1.1
154.09833	2.6
155.08125	1.6
157.09834	3.7
161.01239	1.8
171.11311	19.7
172.09688	78.1
172.10867	16.5
173.09319	3.0
177.00668	1.2
182.09279	3.0
185.02934	1.3
185.13303	2.8
189.00815	1.4
189.02480	3.3
189.04330	1.8
189.12317	2.8
193.00291	2.2
197.09232	3.7
203.10780	1.1
207.01743	1.1
213.12822	1.0
214.11871	29.5
219.03506	1.6
231.07321	2.1
231.14526	100.0
249.08272	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	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.56482	0.3
51.83451	0.2
53.03949	1.4
55.01871	0.7
55.05515	10.3
56.05039	0.4
56.36771	0.2
56.96574	0.2
57.03434	0.4
57.05816	1.1
59.04990	0.4
62.51498	0.2
67.05501	0.7
69.03432	8.1
69.07053	0.5
70.54230	0.8
71.04992	1.1
72.08158	100.0
79.05498	0.7
81.03416	4.2
81.07061	1.7
83.01328	0.3
84.04539	0.3
84.08138	0.4
85.02903	4.4
86.09713	5.1
86.10233	0.3
87.00822	1.3
91.05486	1.4
93.07057	0.8
95.04980	0.3
95.08624	0.9
97.02900	2.2
99.04446	1.8
103.05445	0.2
105.01860	0.3
105.07027	2.4
107.08625	0.6
109.02884	1.6
109.06552	0.3
111.04472	0.3
115.05468	1.0
117.07051	1.1
119.08612	1.3
121.06553	0.3
127.03933	2.8
128.06259	1.0
129.07011	1.9
129.10199	0.4
131.08583	2.3
132.10216	3.6
133.06583	0.3
133.10178	0.6
137.06013	0.4
141.07045	0.7
142.07826	0.9
143.08568	3.1
145.05003	0.4
145.10130	2.1
147.04401	1.4
147.08061	0.6
147.11646	0.3
155.08604	0.2
156.09366	0.5
157.06522	0.5
157.10141	2.2
159.11716	1.3
161.05962	0.5
161.09535	0.3
161.13269	0.3
165.07059	0.3
170.10947	0.5
170.54906	0.3
171.08066	0.5
171.11708	0.5
173.09682	0.6
175.03925	0.3
175.07608	1.0
185.06082	0.3
185.09740	0.7
185.13268	6.0
185.14838	0.4
185.16588	0.7
187.14830	0.3
188.04811	0.3
188.25313	0.3
189.09151	0.6
195.11865	0.6
199.03748	0.3
200.10741	0.3
203.03374	0.4
203.06926	0.5
203.14392	0.4
213.03999	0.3
213.12750	1.9
216.04262	0.4
231.02895	2.8
231.04825	0.5
231.06712	0.5
231.11574	0.5
231.13629	4.1
231.17010	2.5
231.34013	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	231.1017
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
53.03940	2.7
53.68633	0.9
55.01875	20.5
55.05512	4.1
57.03436	7.7
67.05501	4.3
68.99778	3.1
69.03429	15.3
69.07069	2.0
69.63841	7.2
71.04989	4.4
79.05485	4.8
81.03436	6.5
81.07059	6.5
83.04980	4.5
85.02907	5.2
87.00858	1.6
91.05496	10.1
93.07042	7.8
95.04981	2.5
95.08608	4.4
97.02914	1.8
98.20818	1.9
99.04448	2.5
103.05470	3.0
105.07035	17.2
107.08585	2.5
109.02897	3.2
109.06532	1.0
109.10134	2.4
111.08122	1.2
111.58146	1.0
115.05463	12.0
117.07024	12.0
119.04914	1.2
119.08584	8.7
121.06461	2.2
121.10103	2.3
123.04434	14.2
123.08096	1.4
127.03903	3.6
128.06230	10.6
129.07011	30.9
130.07828	2.1
131.04939	2.4
131.08569	8.3
133.06516	4.7
133.10132	3.8
137.02293	1.2
137.06006	1.2
139.05458	1.5
141.07007	7.8
142.07784	17.1
143.04933	5.1
143.08575	15.3
144.05698	2.0
145.06506	10.0
145.10118	9.0
147.04402	7.5
147.08052	4.4
147.11716	1.8
148.05235	2.2
149.05966	4.0
152.06224	15.0
153.06929	1.6
155.06009	1.3
155.08580	4.0
156.05692	2.5
156.09375	1.8
157.06500	18.9
157.10138	34.6
159.08072	3.0
159.11687	4.7
160.05212	9.4
161.06000	42.3
161.09599	2.4
161.13303	2.0
163.07542	7.0
165.07082	8.3
166.07809	3.6
167.04900	1.8
167.08580	43.3
169.06433	5.6
170.07266	3.7
170.10835	2.0
171.08102	3.7
171.11726	4.3
173.04604	2.1
173.06004	26.9
173.09604	1.6
173.13220	1.6
174.06772	14.6
175.03934	3.3
175.07565	36.0
175.11168	1.7
180.05730	2.1
183.08104	2.5
183.11775	1.2
184.05190	12.2
185.06010	24.5
185.09637	32.2
185.13271	17.8
187.07565	17.9
187.09200	1.9
187.14842	2.6
188.08327	4.7
189.05438	5.6
189.09146	14.7
189.12761	1.7
195.08066	56.3
195.11765	1.9
197.05864	1.5
198.06770	10.9
201.05470	1.9
201.09142	19.3
202.06281	24.1
203.07056	8.1
203.10675	25.5
203.14407	1.8
213.09119	55.3
213.12715	4.4
213.16330	2.7
216.07718	1.5
231.10178	100.0
231.13640	18.5
231.17361	12.4
231.21057	1.5
251.56471	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	231.1017
Annotation	Naproxen
Peak:m/z	Relative Intensity
53.04010	2.5
55.01921	1.7
55.05570	1.7
57.03503	4.8
64.66687	0.8
67.05566	1.7
68.99831	1.0
69.03500	23.3
69.85659	3.5
71.01389	0.9
71.05072	2.9
79.05574	3.1
81.03420	10.5
81.07052	4.0
83.05048	1.1
85.02910	8.7
87.00831	4.2
91.05486	6.5
93.07134	2.1
95.05044	1.2
95.08678	2.4
97.02899	5.3
97.06608	1.1
98.21474	0.8
99.04476	5.9
103.05560	1.4
105.03446	0.9
105.07034	5.9
107.08652	1.9
109.02886	5.1
109.06572	0.8
114.18787	0.6
115.05450	5.1
116.06285	0.8
117.07029	4.2
119.08575	4.7
121.06561	1.3
121.10191	1.2
123.04531	1.0
123.08118	1.3
127.03919	5.5
127.05488	1.2
128.06224	15.4
129.01955	0.7
129.07016	45.4
131.04956	1.6
131.08560	4.6
133.06551	1.8
133.10217	2.3
135.04515	1.0
135.11748	0.8
141.06969	5.0
142.07782	16.7
142.08734	1.3
143.04979	1.9
143.08551	7.6
144.05717	3.4
145.06544	2.6
145.10132	5.7
147.04401	4.9
147.08115	3.0
152.06219	10.6
153.07108	1.3
155.04929	0.9
155.06044	1.4
155.08551	1.7
156.05722	2.0
156.09373	1.4
157.06523	16.5
157.10132	76.7
159.08096	5.1
159.11729	3.0
160.05229	1.6
161.06000	10.0
161.09727	2.1
165.06998	6.0
166.07837	2.1
167.08569	38.6
169.06494	4.1
170.07309	6.6
171.04524	1.9
171.08051	5.3
171.11777	2.4
172.05249	2.4
173.06018	6.8
173.09679	1.1
173.13419	0.8
174.06895	1.0
175.03926	1.3
175.07562	7.6
175.11211	1.0
180.05739	1.4
183.08109	0.7
183.11842	1.0
184.05174	7.6
185.06035	9.0
185.09628	67.4
185.13138	8.3
186.10039	0.8
187.07552	10.7
187.09135	1.0
187.14897	1.5
188.08354	4.0
189.05539	1.4
189.09099	4.3
189.12675	1.0
190.06273	5.1
195.08070	71.9
196.08478	1.4
198.06786	2.8
198.10419	0.8
201.09131	0.9
202.06276	2.0
203.03345	0.9
203.07042	3.3
203.10667	18.1
203.14279	1.0
213.05577	6.9
213.09113	100.0
213.12639	3.5
214.09491	1.3
231.03020	6.3
231.06583	20.1
231.10146	30.7
231.13739	12.6
231.17308	3.9
231.21091	1.2
232.10397	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	231.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04010	2.5
55.01921	1.7
55.05570	1.7
57.03503	4.8
64.66687	0.8
67.05566	1.7
68.99831	1.0
69.03500	23.3
69.85659	3.5
71.01389	0.9
71.05072	2.9
79.05574	3.1
81.03420	10.5
81.07052	4.0
83.05048	1.1
85.02910	8.7
87.00831	4.2
91.05486	6.5
93.07134	2.1
95.05044	1.2
95.08678	2.4
97.02899	5.3
97.06608	1.1
98.21474	0.8
99.04476	5.9
103.05560	1.4
105.03446	0.9
105.07034	5.9
107.08652	1.9
109.02886	5.1
109.06572	0.8
114.18787	0.6
115.05450	5.1
116.06285	0.8
117.07029	4.2
119.08575	4.7
121.06561	1.3
121.10191	1.2
123.04531	1.0
123.08118	1.3
127.03919	5.5
127.05488	1.2
128.06224	15.4
129.01955	0.7
129.07016	45.4
131.04956	1.6
131.08560	4.6
133.06551	1.8
133.10217	2.3
135.04515	1.0
135.11748	0.8
141.06969	5.0
142.07782	16.7
142.08734	1.3
143.04979	1.9
143.08551	7.6
144.05717	3.4
145.06544	2.6
145.10132	5.7
147.04401	4.9
147.08115	3.0
152.06219	10.6
153.07108	1.3
155.04929	0.9
155.06044	1.4
155.08551	1.7
156.05722	2.0
156.09373	1.4
157.06523	16.5
157.10132	76.7
159.08096	5.1
159.11729	3.0
160.05229	1.6
161.06000	10.0
161.09727	2.1
165.06998	6.0
166.07837	2.1
167.08569	38.6
169.06494	4.1
170.07309	6.6
171.04524	1.9
171.08051	5.3
171.11777	2.4
172.05249	2.4
173.06018	6.8
173.09679	1.1
173.13419	0.8
174.06895	1.0
175.03926	1.3
175.07562	7.6
175.11211	1.0
180.05739	1.4
183.08109	0.7
183.11842	1.0
184.05174	7.6
185.06035	9.0
185.09628	67.4
185.13138	8.3
186.10039	0.8
187.07552	10.7
187.09135	1.0
187.14897	1.5
188.08354	4.0
189.05539	1.4
189.09099	4.3
189.12675	1.0
190.06273	5.1
195.08070	71.9
196.08478	1.4
198.06786	2.8
198.10419	0.8
201.09131	0.9
202.06276	2.0
203.03345	0.9
203.07042	3.3
203.10667	18.1
203.14279	1.0
213.05577	6.9
213.09113	100.0
213.12639	3.5
214.09491	1.3
231.03020	6.3
231.06583	20.1
231.10146	30.7
231.13739	12.6
231.17308	3.9
231.21091	1.2
232.10397	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.4
55.01875	2.3
57.03445	3.9
61.02921	1.3
67.05515	0.8
68.99793	2.3
69.03432	100.0
71.01356	1.0
71.04993	9.6
73.02920	0.8
79.05523	0.9
81.03421	46.1
81.07076	0.8
83.01345	1.3
83.05009	0.8
85.02908	44.9
87.00831	21.7
89.62160	0.5
91.05483	1.5
93.07043	0.8
97.02895	18.9
99.04455	21.7
101.02383	0.6
105.01884	3.3
105.07040	1.6
107.08630	0.9
109.02882	22.8
111.00768	0.9
112.74677	0.6
115.05502	0.6
119.08611	1.4
127.03922	28.0
129.07007	1.9
131.08630	1.0
133.10208	0.7
142.07834	0.9
143.08604	2.2
145.04979	2.3
145.10170	1.4
146.38931	0.6
147.04410	1.3
157.10181	2.3
159.11794	0.8
170.11015	0.7
171.11809	0.7
175.07571	0.9
175.11436	0.5
185.13269	3.5
203.14481	0.6
213.03925	3.0
213.12825	1.1
231.02907	1.4
231.05081	3.9
231.13808	3.4
231.17432	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.2
55.01867	2.4
55.05521	1.4
57.03434	3.3
61.02929	2.8
67.05511	0.8
68.99786	2.4
69.03432	100.0
69.07069	0.8
70.12249	3.9
71.04989	7.5
81.03424	44.9
81.07058	2.5
83.01344	2.3
85.02909	54.4
87.00833	16.5
91.05486	1.7
91.15659	0.8
93.07034	0.9
97.02898	26.8
99.04465	18.7
105.01877	2.6
105.07035	3.3
107.08639	1.0
109.02878	16.7
109.03592	1.3
111.00780	1.1
117.07024	1.5
119.08532	1.8
127.03926	25.1
128.06270	1.2
129.07018	2.2
131.08566	2.7
133.86568	0.8
142.07669	1.3
143.08560	4.9
145.04985	2.9
145.10109	2.8
147.04437	1.3
147.08066	0.9
157.10141	3.4
159.11731	2.0
171.03090	0.9
171.11754	0.9
173.07661	0.9
175.07509	1.2
178.18271	0.7
185.09714	0.9
185.13264	8.5
189.09093	1.1
203.14377	1.9
213.03983	2.6
213.05986	0.7
213.12688	2.1
222.85190	0.7
229.84550	0.7
231.02968	1.6
231.05029	4.7
231.13780	6.2
231.17499	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.6
54.88214	0.7
55.01878	3.2
55.05518	0.9
57.03431	3.2
58.32720	0.7
61.02924	2.3
61.29438	0.6
63.63354	0.7
67.05496	1.1
68.99794	2.6
69.03434	100.0
69.07079	1.1
71.01396	0.7
71.04996	11.0
71.58711	0.9
73.07403	0.7
79.05491	2.0
81.03423	47.6
81.07064	2.3
83.01351	2.0
83.05012	1.0
85.02914	44.5
87.00840	19.5
87.01349	1.4
91.05507	3.5
93.07058	2.3
95.05019	1.0
95.08595	1.5
97.02900	18.0
99.04462	23.0
105.01905	2.0
105.07031	5.5
109.02888	19.9
109.10185	0.9
117.07058	2.5
119.08586	3.1
123.04456	2.5
127.03931	28.1
128.06268	2.4
129.07008	3.6
131.04941	1.1
131.08568	2.9
133.06453	1.5
133.10159	1.4
141.06934	1.5
142.07813	2.3
143.08551	4.3
145.05000	2.4
145.06512	1.3
145.10162	3.1
147.04427	2.3
147.08102	0.9
147.41052	0.8
156.09465	0.9
157.10147	4.6
159.08086	0.9
159.11697	2.5
161.09572	1.0
167.08607	1.1
170.10916	1.0
171.08060	1.2
171.11707	1.7
175.03941	0.9
175.07579	2.4
185.13257	6.8
189.09167	1.1
195.11665	1.0
203.14272	1.0
213.04005	3.0
213.09157	1.7
213.12840	3.1
231.02908	3.2
231.05054	5.5
231.10248	2.2
231.13762	11.3
231.17580	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	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.4
55.01876	1.9
55.05487	1.1
57.03451	4.8
57.74428	1.0
61.02919	1.7
68.99799	2.1
69.03434	100.0
70.40199	1.8
71.04990	7.5
78.67598	1.1
79.05484	2.1
81.03424	41.3
81.07065	3.3
82.77766	1.0
83.01355	1.8
85.02910	45.9
87.00835	20.6
91.05516	2.4
93.07066	1.4
95.08595	1.8
97.02902	16.7
99.04460	21.2
105.01885	2.1
105.07051	2.3
107.08629	1.2
109.02891	17.2
109.10193	1.2
115.05438	1.7
117.07051	1.8
119.08599	3.6
127.03925	23.5
129.07013	3.6
131.08578	4.1
132.90729	1.0
133.10153	1.9
142.07794	1.7
143.08507	5.9
145.04990	2.5
145.06549	1.2
145.10149	4.2
147.04425	3.0
147.08066	2.5
156.09331	1.5
157.10158	5.5
159.11679	2.7
161.09666	1.5
164.04594	1.1
166.66521	1.1
171.11729	2.6
173.13309	2.3
175.07617	2.1
175.14789	1.1
185.07118	6.1
185.13260	7.4
187.14746	1.3
213.04019	2.5
213.12749	1.6
213.16428	2.7
231.02901	5.2
231.05016	4.5
231.07692	2.9
231.10059	1.9
231.13841	8.4
231.17378	6.0
241.29898	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	229.18
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.03931	5.7
55.01856	3.3
55.05269	4.8
55.05517	65.5
57.03431	7.2
57.07067	10.5
59.04998	11.2
65.03931	3.8
67.05180	3.1
67.05511	54.3
69.03426	20.1
69.06760	3.0
69.07076	26.5
71.03747	6.2
71.04991	14.3
79.05510	16.2
81.03440	12.9
81.06628	4.1
81.07059	36.1
83.04990	53.7
83.08629	28.9
85.06556	28.1
87.04465	3.0
90.58887	2.5
91.05480	15.8
91.11706	2.2
93.07056	23.2
95.04977	13.1
95.08628	23.4
97.06548	4.8
97.10199	6.3
99.00809	3.9
99.08107	13.2
101.06026	9.6
105.07055	20.6
107.08601	41.2
109.02869	6.1
109.06516	3.5
109.10165	100.0
111.08068	7.1
113.06028	3.2
117.07053	7.9
119.08591	19.8
121.10152	14.4
123.08057	3.7
123.11720	46.6
125.09663	15.4
127.11196	26.0
128.06227	7.3
129.07004	11.5
131.08569	9.4
131.82167	2.8
133.10103	14.2
135.04477	3.4
135.11705	34.8
137.09627	4.4
141.06963	8.7
142.07800	8.5
143.08565	10.7
145.06480	4.1
145.10124	12.5
147.11664	5.5
149.13292	12.3
151.11197	11.8
153.07018	6.9
153.12767	12.7
155.08559	19.4
155.10625	3.1
156.09193	4.7
157.10136	23.8
159.08047	6.4
159.11697	7.3
167.08562	3.2
167.14330	33.6
168.09334	16.1
169.10107	5.2
169.12268	41.3
171.11726	3.9
171.13885	3.7
173.05942	3.8
173.09592	8.8
173.11810	3.1
173.13266	4.7
175.14821	10.4
176.31580	2.8
179.30191	2.7
181.10135	3.3
183.08090	3.2
183.11699	35.6
185.15395	12.0
187.07553	2.9
187.11191	6.9
193.10150	6.2
193.15901	19.2
201.09123	10.6
201.12755	7.1
211.11179	14.2
211.15012	4.8
211.16930	64.1
229.05028	7.5
229.08658	6.6
229.12276	36.7
229.16066	22.2
229.17970	10.2
229.19633	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	230.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	0.3
56.96570	28.5
61.55152	0.3
63.62593	0.3
66.06672	0.3
70.06591	0.7
71.57133	0.5
71.95259	2.3
72.96066	2.0
74.18698	0.3
83.97637	2.1
84.08141	0.4
84.96049	0.5
86.09706	3.0
97.99191	0.4
98.97589	100.0
110.97591	0.5
116.00239	2.0
116.98628	60.0
124.00729	0.4
126.02256	0.5
131.00188	0.6
134.01280	1.7
134.99664	21.2
138.02219	0.4
140.00160	1.3
140.03835	1.2
142.01836	0.4
142.05426	1.6
144.03346	0.5
152.04077	0.3
153.00706	2.1
158.01225	0.8
158.04932	2.4
160.06471	3.0
170.04883	1.0
171.03308	1.1
172.02866	0.4
176.05962	0.7
178.07495	0.9
188.05927	2.3
189.04344	7.1
202.07448	0.9
206.06995	6.0
206.08730	0.5
207.05415	3.4
212.05971	0.6
220.08571	0.4
224.08064	6.5
230.07021	9.8
230.15753	0.8
231.05421	1.3
231.14490	0.5
248.08083	17.4
249.06456	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	229.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01864	2.8
55.05520	18.1
57.03448	5.2
57.07076	5.2
59.04992	2.2
64.40241	2.0
67.05509	33.5
69.03412	7.9
69.07072	17.3
69.69868	14.1
70.06593	6.3
71.04990	11.7
79.05492	24.8
81.03420	3.5
81.06587	3.4
81.07063	66.4
83.04976	8.6
83.08608	5.8
85.06552	48.7
91.05482	19.0
93.07050	55.7
95.04974	7.7
95.08613	78.6
97.06533	4.1
99.04491	12.2
99.08096	9.5
105.07040	42.8
107.08602	83.1
109.06548	5.1
109.10166	34.6
111.08092	8.2
113.06050	2.3
113.09630	2.4
117.07045	8.5
119.08595	73.5
121.10146	32.7
123.08037	4.2
123.11700	11.3
125.09620	18.0
128.06216	4.7
128.14854	1.9
129.07004	8.7
131.08557	9.0
133.10136	49.1
135.11703	49.1
137.09634	15.5
141.06990	5.5
142.07748	5.0
143.08583	9.5
145.10162	3.6
147.11679	11.2
149.13293	5.1
151.11243	3.3
153.07037	3.5
154.58389	2.3
155.08730	13.6
155.10674	80.8
157.10103	14.7
159.08069	4.2
163.14833	100.0
167.08672	2.6
168.09317	10.2
169.10110	3.1
173.05974	3.9
173.09691	3.5
173.13260	3.6
175.14832	60.0
178.07793	2.9
181.06476	3.7
181.15887	9.5
183.11713	23.4
186.79153	2.5
187.07582	2.8
193.10112	3.5
193.15878	34.6
199.16966	7.2
201.09148	6.6
201.12701	4.2
211.11223	8.0
211.16943	10.9
216.99539	2.1
229.12225	27.5
229.15732	5.4
229.17892	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	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03946	0.7
55.01876	0.6
55.05514	9.3
57.03443	18.9
57.07090	1.7
59.05012	4.5
65.03954	1.4
66.14344	0.5
67.05511	100.0
68.05859	0.9
69.03443	0.6
69.07090	2.1
71.04994	3.3
79.05504	3.2
79.05943	0.6
81.03492	0.7
81.07068	12.8
83.08633	5.6
85.06564	2.7
91.05489	6.8
93.07069	3.3
95.08617	6.6
99.08170	0.7
105.07048	1.1
107.08606	2.2
109.10168	84.2
110.10526	1.2
111.08086	3.6
117.07005	0.7
119.08603	6.3
121.10169	0.6
125.09652	0.7
131.08607	1.4
133.10149	0.6
137.09641	3.4
143.08621	0.7
145.10126	1.1
155.08589	1.2
155.10669	4.7
157.10124	1.3
159.11722	1.4
168.09335	1.2
173.11760	24.8
173.13148	0.9
183.11707	2.0
201.09082	1.1
211.11153	0.9
229.12273	2.8
229.14330	24.8
229.19452	2.7
229.23514	2.5
230.14719	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	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.64352	0.4
55.01873	0.7
56.96565	3.2
57.03425	1.5
58.06602	7.2
59.07370	1.4
60.07882	0.5
60.08165	7.1
61.02929	1.9
63.97882	0.4
66.01564	0.3
68.05019	1.4
69.03425	1.5
69.33989	2.5
69.34395	0.6
70.06594	39.5
70.98125	0.6
71.01344	0.4
72.08153	0.7
73.02915	1.8
79.05491	1.0
81.03421	0.5
84.08154	0.7
85.02888	1.4
89.00790	0.4
91.05477	1.0
93.07054	0.4
95.08656	0.3
96.08142	2.1
97.02882	1.3
98.06042	1.1
98.97582	2.7
100.07604	0.6
101.00877	2.8
104.01270	1.1
105.07023	0.9
106.01038	0.6
109.02911	0.6
112.99184	0.4
113.00865	0.3
113.01757	0.7
114.05537	4.7
114.09164	2.2
116.01249	0.4
116.98607	1.3
117.07027	0.4
119.01905	8.4
119.08599	0.7
124.07612	3.3
125.01842	1.1
126.05524	0.6
126.09187	0.6
127.03930	0.6
128.02327	1.0
128.06229	0.4
128.98604	1.0
129.07014	1.2
131.00111	0.5
131.01889	0.8
131.08589	0.7
133.01578	0.7
133.03415	1.7
134.02281	1.3
134.03313	0.3
135.03128	0.7
135.04077	0.4
137.02983	1.7
138.77005	0.4
139.35735	0.4
140.02290	0.4
141.03069	0.6
141.07005	0.6
142.08641	34.7
143.02866	1.8
143.08549	0.9
143.53047	0.6
144.99825	0.8
145.06390	0.4
145.10092	0.8
146.99586	1.0
148.03804	0.7
153.06950	0.9
154.02065	0.5
155.02855	0.7
155.08618	2.3
157.10126	2.4
158.99658	0.5
161.02870	0.6
168.09404	1.9
168.99834	0.6
169.02544	0.7
170.03328	0.8
170.08113	1.8
171.08160	0.4
173.02844	0.5
173.13301	0.5
175.02724	0.4
175.04578	0.4
177.00652	0.5
178.03331	0.4
181.10086	0.4
183.11684	4.7
183.14990	0.6
185.03857	1.0
187.00891	1.4
187.04491	0.5
187.07489	0.5
187.11070	0.5
189.00792	0.5
191.03996	1.3
193.10104	0.8
199.03719	0.6
200.04391	0.8
201.09177	1.9
201.12781	0.8
205.01926	0.4
207.01874	0.5
211.11069	1.6
215.00394	1.7
219.01770	0.6
229.12283	4.3
229.15479	100.0
230.05560	1.2
230.15808	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	229.0974
Annotation	CHEBI:132265
Peak:m/z	Relative Intensity
53.03920	1.1
53.86884	0.5
54.11073	0.5
55.01845	0.8
55.05476	1.1
56.96534	0.8
57.07052	0.5
58.02941	0.5
65.03893	0.8
67.05509	2.5
68.04987	0.8
69.03396	1.8
69.07046	0.6
69.28210	1.2
69.28623	3.5
70.06588	4.2
71.04980	0.8
71.47970	0.5
71.83176	0.5
72.08130	0.9
72.87785	0.5
72.93763	0.7
79.05489	2.8
81.03383	1.7
81.07054	2.8
83.04980	0.6
84.04469	0.6
84.08127	0.6
85.02907	0.6
85.06526	0.6
86.09683	1.9
87.04486	0.6
91.05466	5.3
93.07030	3.0
95.04945	1.1
97.02869	1.5
99.00791	0.7
99.04480	0.6
103.05446	0.6
105.07029	5.7
107.04908	1.7
107.08605	0.6
109.02865	1.6
109.06496	1.0
109.10117	0.7
115.05455	3.6
116.07094	0.8
117.07029	2.7
118.06505	0.6
119.01902	0.7
119.04901	1.0
119.08587	3.7
121.02818	0.9
121.06480	1.5
123.04419	0.9
128.06238	5.4
129.07008	30.0
130.06531	1.3
130.07381	0.5
131.04916	1.0
131.07706	0.5
131.08577	3.2
132.92726	0.5
133.06503	1.5
133.10112	0.9
135.04370	0.7
137.05928	0.8
141.06976	5.7
142.06630	1.1
142.07776	3.8
143.07407	1.0
143.08560	4.7
144.08092	9.8
144.09221	1.1
145.06487	2.1
145.10176	2.7
147.08061	0.5
149.05969	0.6
153.06969	3.7
154.06551	1.6
154.07721	0.8
155.04976	0.6
155.07292	2.7
155.08563	8.9
156.08092	100.0
157.08684	0.9
157.10115	9.2
158.09671	1.5
159.08070	1.7
159.11690	1.0
161.05939	0.8
166.06490	2.8
167.07239	10.8
167.08595	1.0
168.08096	42.9
168.09369	6.9
169.06282	0.6
169.07597	8.6
169.10016	0.9
170.06075	1.2
170.08385	1.8
170.10957	0.6
171.08018	1.1
172.07452	0.6
172.08864	0.8
173.05865	0.9
173.09628	1.7
173.13225	1.1
178.07780	0.9
181.06506	0.7
181.10120	2.0
182.08472	2.5
183.09187	72.7
183.11629	17.4
184.07591	3.6
184.09407	1.1
185.10822	5.9
185.13263	1.4
187.07570	1.3
187.11212	0.9
193.10130	2.2
194.06029	2.1
196.08858	1.4
201.09027	6.4
201.12784	3.1
205.98769	0.7
211.08737	0.9
211.11230	6.0
212.07098	1.0
229.05002	3.6
229.09784	98.4
229.12244	18.2
229.15630	2.5
229.23466	0.8
230.08067	0.8
230.10188	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	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.6
57.03445	16.2
59.04993	5.7
65.03922	1.4
67.05511	100.0
69.07050	2.4
70.06557	1.7
71.04971	3.7
79.05501	2.5
81.07069	15.1
83.08610	8.1
85.06565	3.1
91.05472	5.4
92.44617	1.1
92.57003	1.3
93.07043	3.5
95.04980	1.6
95.08620	6.5
97.85345	1.2
101.06056	1.4
105.07050	2.7
107.08604	2.3
109.10168	92.0
111.08096	4.7
119.05075	1.4
119.08616	8.2
131.08557	1.4
137.09636	4.7
141.07027	1.3
145.10152	1.5
147.08197	1.8
155.08582	1.4
155.10666	5.4
157.10199	1.3
157.53127	1.5
159.11719	2.0
168.09375	2.8
173.09586	1.9
173.11784	22.8
173.13211	2.0
182.19804	1.3
183.11633	2.8
226.60196	1.3
229.12263	5.7
229.14362	23.6
229.19524	3.8
229.23578	5.5
233.05347	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	228.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66344	0.6
55.01852	0.5
56.96285	1.2
56.96558	10.1
58.05037	0.5
69.03426	0.6
70.06588	0.7
70.64147	1.4
71.11502	0.5
83.09258	0.5
85.02905	0.9
95.06100	0.6
97.02881	0.6
98.97550	3.5
107.04949	2.5
111.53648	0.7
112.07610	1.9
116.98615	1.8
127.03931	0.7
128.00198	0.7
130.08521	0.8
134.99663	0.7
138.02299	0.5
142.01752	2.1
151.06940	0.5
156.03329	74.4
160.02835	1.9
168.01878	0.8
168.03329	19.6
174.04398	67.5
186.04398	100.0
187.04779	1.1
192.05481	7.8
197.06020	1.1
200.05922	1.1
204.05453	63.5
209.05962	2.6
214.14008	0.5
222.06516	2.8
227.07045	0.8
228.05443	13.9
228.17041	0.7
246.06508	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	228.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05518	3.8
56.96567	39.7
57.03441	1.7
58.92317	0.8
59.04978	0.8
61.02904	2.6
68.99729	0.8
69.03436	4.2
69.07063	1.8
70.06245	1.1
70.06595	14.3
70.47746	0.8
70.98116	3.3
71.04980	0.9
71.34856	1.8
71.95261	1.5
72.08146	1.6
73.02913	4.1
74.97617	2.3
81.03415	1.8
82.06563	1.2
83.97653	1.8
84.08141	8.2
84.96028	2.7
85.02912	5.3
87.04465	1.0
88.99155	1.7
90.32848	0.8
91.05489	0.9
91.08068	0.8
95.04953	0.8
95.06091	6.1
97.02910	4.1
97.99168	2.4
98.97588	34.1
99.04476	1.1
100.07581	1.0
101.00817	1.2
103.00587	0.9
107.04967	0.9
109.02836	1.2
109.99122	1.1
110.07192	1.0
110.97565	1.6
112.07588	3.3
112.08722	2.9
116.00233	2.7
116.98622	23.3
118.00974	0.8
119.01884	3.1
119.99721	0.7
124.00708	1.2
124.07554	0.9
127.03922	8.8
128.02287	1.5
128.98596	4.1
130.01779	1.9
131.00165	0.8
132.00757	1.1
133.01613	2.0
134.99643	10.7
137.02820	0.8
137.05949	1.0
138.02159	0.9
142.01776	19.5
142.08620	1.0
143.01949	1.4
144.05037	1.1
144.98082	2.6
145.01662	1.2
146.99673	5.0
147.01294	0.8
147.03233	1.8
149.01163	1.9
150.05540	1.5
152.98509	0.8
153.00739	1.5
155.04649	5.4
155.54832	7.4
156.03334	60.7
156.98103	1.8
158.01234	1.7
158.99738	4.0
159.01239	1.0
160.02838	25.0
161.01215	2.4
161.02972	2.3
162.06099	1.6
162.99098	1.7
164.05255	1.2
164.55397	1.7
165.00763	3.4
168.01817	4.4
168.03317	12.9
170.01045	0.8
170.99600	1.1
173.02795	1.7
174.04402	80.5
174.99161	2.4
175.02684	0.9
177.00717	3.8
177.02327	6.6
178.01318	0.7
178.03880	5.8
179.02130	1.3
182.09384	1.0
182.99643	2.5
183.04448	1.1
184.02925	0.9
186.04404	100.0
189.00732	1.1
190.98636	2.0
191.02286	0.9
192.05417	11.4
194.02301	0.9
197.05888	1.4
200.05937	2.8
201.00763	4.2
202.03893	0.9
204.05458	91.2
205.00208	3.2
205.05553	1.0
209.05980	4.1
210.02559	0.9
210.15985	1.3
211.14491	1.0
218.07051	1.4
219.01704	1.2
222.06445	4.6
223.01213	4.3
223.04738	0.8
227.07004	2.9
228.01921	1.1
228.05406	24.0
228.17117	6.5
228.23184	4.8
229.15552	4.1
246.02724	1.1
246.06546	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	228.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45018	0.5
55.97456	0.5
56.96556	10.8
56.96835	0.6
67.68549	0.5
69.03427	0.9
69.98056	2.6
70.06584	1.6
74.97636	0.7
84.08163	0.5
85.02928	0.9
86.59795	0.5
97.02872	0.9
98.97581	5.7
107.04977	1.4
109.99162	0.9
112.07602	1.5
116.98648	2.7
127.03963	0.9
134.99690	1.1
138.02246	1.1
142.01764	3.2
153.00734	0.6
156.03325	77.8
160.02847	2.3
168.01868	1.0
168.03329	20.8
174.04395	68.8
182.99683	0.6
186.04390	100.0
187.04768	1.4
192.05415	8.2
197.06136	0.8
200.05959	0.8
204.05449	65.8
209.06041	3.1
222.06630	2.7
227.06967	1.1
228.05438	14.8
228.12373	0.7
228.23154	0.6
246.06499	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03966	1.9
54.93602	1.6
55.01867	5.0
55.05516	21.2
56.96567	4.5
57.03440	7.4
57.07081	3.8
59.04985	3.4
67.05508	18.9
69.03428	11.5
69.07066	19.1
69.67543	4.4
69.67953	6.9
71.04997	25.4
72.56898	1.9
73.06585	1.9
75.04478	2.7
77.03922	2.0
79.05495	15.2
81.03420	7.1
81.07067	21.3
83.04977	10.4
83.08626	10.8
83.09049	1.6
85.02895	2.4
85.06548	29.1
86.09707	5.7
91.05479	14.7
91.06027	2.0
93.07050	30.7
95.04976	100.0
95.08616	21.8
97.06540	22.0
97.10172	4.9
98.97597	13.5
99.04464	26.1
99.08110	19.5
100.11264	18.4
101.05990	2.7
103.05480	3.9
105.07044	20.6
107.04950	4.0
107.08600	43.1
109.02870	2.2
109.06532	18.4
109.10179	17.5
110.97574	1.6
111.04457	5.2
111.08102	9.4
113.06055	3.3
115.07572	6.0
116.98625	8.0
117.07049	5.2
119.08590	19.7
121.06525	7.8
121.10159	29.1
123.04433	2.8
123.08061	11.7
123.11682	8.7
125.06023	2.2
125.09621	18.2
127.07540	7.8
128.06264	2.7
129.07027	4.8
131.04999	1.8
131.08568	19.9
133.10139	33.4
135.04559	1.6
135.08054	10.2
135.11754	10.8
137.05968	2.8
137.09615	10.5
139.07550	3.1
139.11197	10.5
140.04631	1.6
141.06975	2.2
141.11513	3.0
142.07793	1.9
143.08578	5.5
143.10674	1.7
145.10165	12.7
146.99727	1.9
147.11710	6.2
149.05991	5.7
149.09642	17.9
149.13269	12.1
151.11186	7.6
153.05464	2.7
153.06949	2.0
153.09099	25.1
156.09273	3.9
157.10168	5.6
158.11084	2.2
158.99677	4.9
159.04521	1.9
161.13229	2.0
163.07585	5.1
163.11232	4.5
163.14786	8.5
165.09224	2.9
165.12798	4.1
166.07741	2.9
167.07039	31.7
167.10687	4.9
169.08673	2.3
171.08089	3.6
171.10182	10.2
171.11699	5.1
173.09711	3.7
173.13243	16.0
173.59987	2.1
177.00777	7.1
177.05449	8.6
181.05052	4.1
181.06403	3.1
181.15810	1.7
183.07935	2.2
184.08902	2.4
185.07285	2.1
187.56686	2.0
191.10712	8.7
191.14336	16.0
199.07635	2.8
199.11191	3.8
209.08057	4.0
209.11717	10.0
209.15302	27.3
210.14796	1.8
212.08273	2.1
213.17886	2.9
215.09550	1.9
227.07053	7.0
227.11009	9.0
227.12694	3.7
227.14360	4.8
227.16129	22.7
227.18056	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.44163	2.1
53.03942	4.7
53.23743	2.2
55.01871	3.1
55.05513	24.1
55.81288	2.1
57.03439	7.0
57.07094	4.7
57.90384	2.0
59.05003	2.2
59.91309	2.2
65.03920	3.7
67.05505	25.6
69.03432	19.7
69.07058	16.7
69.78542	13.0
71.01315	2.6
71.04991	15.3
77.03919	3.4
78.24549	2.4
79.05494	25.6
81.03429	5.3
81.07060	45.7
83.04983	12.6
83.08622	13.1
85.06555	30.7
86.09710	3.7
91.05494	23.0
93.07051	54.4
95.04985	18.2
95.08619	37.8
97.06539	84.7
97.10166	3.6
99.04467	5.3
99.08096	8.5
100.11266	11.6
105.07043	35.2
105.98606	2.2
107.04973	15.8
107.08605	100.0
109.02892	4.8
109.06509	20.8
109.10173	22.0
111.04444	7.1
111.08082	11.5
113.06010	2.0
115.03926	3.7
117.07064	6.9
119.08596	22.0
121.06503	15.1
121.10151	49.5
123.04423	5.1
123.08095	17.3
123.11718	5.8
125.05987	3.4
125.09621	6.7
129.07040	3.7
131.04927	2.8
131.08589	33.1
133.02859	6.6
133.10141	43.4
135.08070	16.4
135.11699	9.3
137.05998	4.4
137.09631	17.7
139.03958	2.8
139.07523	3.3
139.11232	11.4
140.04689	2.6
143.08592	3.0
145.10133	14.7
147.11685	14.0
149.05984	3.4
149.09627	29.2
149.13280	33.2
151.07457	2.2
151.11189	18.6
153.05502	5.2
153.09146	7.7
155.07083	3.2
155.08510	2.2
161.13319	4.3
163.11174	8.7
163.14842	21.6
165.05490	4.9
165.09122	4.8
167.07071	20.7
167.10645	12.3
173.09618	5.7
173.13271	23.6
177.05525	6.7
181.04971	5.9
181.10080	4.5
191.10645	10.2
191.14316	24.7
199.11235	3.1
209.08066	2.8
209.11639	10.2
209.15312	12.1
227.08871	3.0
227.10727	6.2
227.12637	3.5
227.14514	4.4
227.16344	4.4
234.07890	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03941	2.6
55.01863	3.4
55.05527	8.3
57.03425	6.2
57.07086	6.9
59.04983	5.1
65.85682	1.2
67.05509	20.2
69.03434	7.0
69.07076	13.8
70.06572	1.3
71.05000	36.6
71.15457	2.7
73.06546	1.6
79.05140	1.7
79.05509	20.2
81.03412	4.4
81.07063	22.1
83.04996	12.7
83.08621	3.7
85.06551	60.3
86.09680	2.8
91.05483	15.3
93.07053	41.8
93.16177	1.5
95.04981	100.0
95.08617	16.4
97.05983	2.2
97.06539	23.6
97.10160	5.1
99.04467	15.7
99.07487	2.3
99.08107	36.8
100.11246	2.6
100.16841	1.8
103.05459	1.7
105.07042	20.2
106.91070	1.4
107.04967	7.4
107.08613	38.3
109.02872	2.0
109.06531	19.7
109.10181	12.6
111.04434	6.2
111.08070	9.0
113.05967	1.9
113.09654	2.7
115.07597	9.5
117.07006	3.7
119.08585	13.0
121.06548	8.5
121.10159	31.9
123.08054	3.4
123.11718	7.6
125.05990	5.0
125.09656	20.1
127.07565	18.9
129.06990	4.8
131.08583	41.7
133.10141	37.5
135.08061	7.2
135.11743	9.1
137.09601	5.8
139.11192	15.3
143.08545	2.1
143.10706	3.5
145.10139	17.5
147.08084	3.0
147.11728	7.9
149.09639	33.1
149.13242	13.4
151.11183	7.8
153.05513	3.0
153.09120	29.1
163.11209	14.2
163.14859	6.7
165.09131	6.1
165.12735	3.3
167.07043	2.1
167.10686	14.3
171.10188	15.9
173.09615	4.0
173.13281	12.9
181.07605	2.6
191.10696	29.0
191.14337	12.9
209.11781	26.6
209.15378	20.8
227.08440	2.4
227.10771	1.6
227.13016	7.2
227.16423	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03924	4.5
55.05513	20.4
56.96556	6.1
57.07070	6.1
59.04986	4.4
61.52574	2.9
62.35180	3.1
65.03916	4.1
67.05516	26.8
69.03430	11.4
69.07066	13.1
71.05003	19.2
71.46658	6.1
73.02910	3.6
79.05505	23.8
81.03437	4.7
81.07070	46.6
83.04968	15.5
83.08606	10.6
85.06547	45.3
86.09700	9.2
91.05483	29.8
93.07045	54.3
95.04962	21.2
95.08613	27.2
97.06518	19.0
99.04456	30.2
99.08081	13.9
100.11257	17.0
101.06034	5.5
105.07037	68.2
107.04964	21.9
107.08595	38.8
109.02886	4.3
109.06504	12.6
109.10162	19.6
111.04427	4.7
111.08053	6.8
115.28014	3.4
117.07018	10.1
119.08578	74.9
121.06525	6.9
121.09319	5.4
121.10146	73.5
123.04445	7.5
123.08072	12.9
123.11687	15.9
125.09617	17.4
129.05618	4.0
131.08572	74.3
133.10132	63.7
135.08032	8.9
135.11658	7.0
137.05995	5.8
137.09598	8.9
139.07532	5.6
139.11160	16.9
142.07735	5.1
143.08582	4.9
145.10153	24.9
147.11678	8.9
149.09604	38.1
149.13242	12.3
151.11188	39.9
153.05463	9.7
153.09094	8.0
155.07062	5.8
156.09335	4.2
157.10110	4.8
158.10857	5.2
161.13264	100.0
163.11150	8.8
163.14824	14.3
165.05496	10.9
165.12756	5.6
167.07054	21.0
167.10684	11.6
169.08534	3.5
171.11737	4.7
173.09615	8.1
173.13248	48.6
177.05556	5.4
179.14325	16.7
181.04890	6.6
183.13792	4.5
191.10713	18.2
191.14285	27.4
197.15427	8.0
199.07521	3.2
199.11143	6.0
209.11771	14.5
209.15331	37.1
227.10683	7.8
227.12672	7.5
227.16275	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03933	4.1
55.01862	7.1
55.05514	22.1
57.03436	5.3
57.07065	9.7
65.03955	4.4
66.70466	2.1
67.05508	36.4
69.03435	13.6
69.07069	18.9
69.23920	16.4
69.24350	9.1
71.04991	22.6
75.53604	2.4
79.05071	2.7
79.05500	41.9
80.09917	2.6
81.03422	5.1
81.07059	37.1
83.04974	12.7
83.08625	5.1
84.04546	2.5
85.06548	100.0
86.09675	4.6
87.04488	2.9
91.05480	30.4
93.07053	55.5
95.04964	15.9
95.08607	27.3
97.02875	2.9
97.06544	36.2
97.10167	3.7
99.04454	8.7
99.08089	8.6
100.11264	15.1
103.05460	3.7
105.07024	34.0
107.04970	15.5
107.08604	96.2
109.06522	18.7
109.10149	19.5
110.98774	2.4
111.04440	10.8
111.08097	6.7
111.22321	2.6
116.06191	3.7
117.07027	11.5
119.07919	2.9
119.08599	33.8
121.02885	2.4
121.06514	24.8
121.10143	54.0
123.08073	20.3
123.11702	9.7
125.06025	5.6
125.09626	7.7
125.37217	2.5
127.03860	2.6
129.06995	6.7
131.08582	73.5
133.10141	37.0
135.08109	11.5
135.11681	9.5
137.05977	3.7
137.09654	13.1
139.11198	5.2
143.08670	3.2
145.06506	3.2
145.10126	32.0
147.08037	7.2
147.11702	8.3
149.05952	3.4
149.09625	70.2
149.13268	26.4
151.11180	19.1
153.05475	5.1
161.13225	4.6
163.07497	4.2
163.11162	25.9
163.14810	14.3
165.07103	2.5
165.09103	11.4
167.07025	13.2
167.10687	39.0
171.11644	4.5
171.14890	3.4
173.09663	7.3
173.13271	18.8
177.05469	3.5
179.10669	3.0
179.14371	3.0
181.12123	2.5
184.08911	3.3
191.10689	45.8
191.14313	21.5
199.11183	5.9
209.11728	50.5
209.15376	9.2
212.08232	3.4
227.08348	3.0
227.10609	8.2
227.12779	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03944	5.6
55.01874	6.2
55.05512	25.5
57.03441	4.2
57.07088	6.6
65.03955	3.9
67.05513	40.5
69.03432	4.8
69.07071	19.4
71.05000	19.3
71.59370	5.1
79.05496	48.8
81.03416	6.3
81.07076	23.4
83.04985	14.0
83.08631	10.2
85.06548	100.0
91.05476	29.9
93.07043	60.5
95.04974	13.6
95.08607	39.8
97.06528	7.9
97.10192	5.0
99.04476	5.9
99.08118	5.5
100.11278	17.9
103.05484	5.0
103.08141	3.0
105.07050	26.9
105.48438	3.3
107.04964	21.5
107.08601	52.1
109.06504	8.5
109.10191	6.1
111.04451	14.7
115.05444	4.0
117.07043	16.0
119.04913	3.5
119.08575	29.9
121.06572	19.4
121.10159	24.3
123.04401	4.2
124.05244	3.3
125.06023	9.3
125.09639	3.9
128.06215	6.4
129.07005	11.9
130.07841	4.1
131.08580	61.6
133.06454	3.8
133.10139	5.6
135.04355	3.6
135.11705	41.1
137.09605	7.2
142.02370	3.9
142.07788	6.4
143.08559	16.6
145.10139	50.8
147.08061	6.4
147.11728	4.5
149.09633	78.5
153.05513	3.7
153.06953	7.9
155.07080	6.6
155.08569	7.0
156.09392	8.3
157.06483	3.9
157.10129	18.7
163.11195	74.2
165.09155	13.0
166.07724	3.4
167.07082	11.9
167.10634	25.9
169.06508	5.1
171.08090	7.9
171.11662	15.5
173.09633	14.9
181.05037	5.3
181.06480	5.9
181.10156	5.0
181.12256	11.0
183.11594	4.7
185.09570	7.1
185.13266	8.6
191.10690	55.4
199.11101	7.4
199.14923	4.0
209.09801	8.0
209.11682	45.9
209.13356	4.7
227.07086	12.3
227.10672	20.9
227.12779	52.9
227.14471	10.1
227.17908	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03928	1.9
55.01871	2.9
55.05516	7.2
57.03433	1.7
57.07076	6.4
59.04937	1.1
61.25441	1.2
65.03931	1.6
67.05164	1.9
67.05510	26.0
69.03432	2.1
69.07089	7.3
71.04996	15.1
71.38725	1.6
77.03953	1.2
79.05499	26.5
81.07058	8.8
82.96421	1.1
83.04982	7.1
83.08657	1.4
85.06550	100.0
91.05489	18.9
91.06021	2.2
93.07049	21.5
95.04984	8.1
95.08596	3.5
97.06534	4.9
99.04450	2.1
99.08094	3.4
100.11254	7.1
103.05508	2.3
105.07037	20.7
107.04955	11.3
107.08598	27.6
109.06526	7.0
111.04466	12.1
115.05474	1.6
117.07047	6.2
119.08592	18.1
121.06533	16.7
121.10146	17.7
123.04440	3.3
123.08081	3.4
125.06020	7.9
128.06323	1.2
129.07042	8.1
130.07791	2.2
131.04933	1.3
131.08577	61.9
133.61740	1.2
135.04362	1.4
135.08080	3.8
135.11703	5.9
137.06000	2.9
137.09595	5.8
139.07539	1.8
141.05479	1.7
141.06993	2.4
142.07721	1.3
143.06952	1.4
143.08595	4.4
145.06523	3.3
145.10133	27.8
147.08032	6.1
149.06021	2.0
149.09634	64.6
153.05493	4.5
153.06931	1.5
155.07042	3.5
155.08455	1.2
157.10164	5.3
163.07564	3.6
163.11186	23.2
165.07010	2.0
165.09100	10.8
165.77058	1.5
166.07747	1.3
167.07062	11.1
167.08347	2.0
167.10689	31.0
171.08015	1.4
171.11696	3.3
173.09659	6.8
177.05495	2.8
181.06459	1.8
181.10147	1.8
184.08870	1.5
185.09610	1.7
185.13307	2.6
191.10692	59.0
197.11638	1.6
199.07628	1.5
199.11139	2.2
199.14833	1.5
209.06113	1.5
209.09737	2.8
209.11739	47.1
227.07019	4.1
227.10612	5.7
227.12753	13.6
227.14420	4.1
227.17928	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01862	1.8
55.05509	5.4
57.03442	2.2
57.07071	5.4
65.03925	2.8
65.69175	1.5
67.05515	28.2
69.03429	1.6
69.07060	10.2
71.05000	24.3
71.33009	2.3
71.33351	1.7
79.05499	30.3
81.07063	7.1
83.04991	8.5
85.06551	100.0
87.04432	1.6
91.05484	18.4
93.07047	24.3
95.04981	7.9
95.08598	4.4
95.55161	1.8
97.06543	2.7
97.29227	1.4
98.97615	3.5
99.08097	5.2
100.11264	4.5
105.07050	21.2
107.04977	13.6
107.08601	27.8
109.06511	6.9
109.10207	1.9
111.04443	12.6
117.07041	5.0
119.08607	16.1
121.06544	16.2
121.10139	22.1
123.04428	1.7
123.08099	2.6
125.06010	7.3
129.06993	7.5
131.08585	61.9
133.10130	3.2
133.16614	1.6
135.08026	3.8
135.11705	6.6
137.05989	2.9
137.09633	9.8
139.07620	2.3
141.05571	1.7
143.08606	1.6
145.10153	28.8
147.08041	8.0
149.05978	3.9
149.09634	66.0
153.05467	3.3
155.07072	3.6
155.08557	2.0
155.95888	1.9
158.99663	2.2
163.07632	2.4
163.11206	22.3
165.09149	10.0
167.07039	6.7
167.10689	36.2
171.08052	1.6
173.09680	7.7
179.10690	2.7
191.10695	52.6
201.04333	1.9
209.09740	3.4
209.11742	50.9
225.14958	2.0
227.10686	2.2
227.12683	18.8
227.17845	2.1
237.96477	1.5
249.52213	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01876	31.9
55.05519	6.7
57.03447	1.9
57.07064	4.1
65.03930	1.7
67.05508	13.6
69.03427	7.5
69.07079	24.5
71.04997	8.5
79.05499	14.3
81.03438	1.5
81.07067	11.9
83.04979	6.0
83.08608	2.3
85.06552	28.6
86.09714	2.1
91.05488	8.8
93.07068	17.9
95.04977	7.6
95.08617	28.7
97.06541	19.6
99.04475	10.0
100.11275	5.9
100.22812	1.4
105.07037	17.6
107.04969	2.4
107.08611	40.2
109.06513	12.0
109.10164	3.7
111.04434	2.0
111.08124	1.4
113.06023	6.5
117.07014	1.6
119.08588	6.0
121.06535	8.8
121.10155	14.6
123.08083	14.3
123.11709	4.4
125.05971	3.5
125.09650	1.8
127.07529	1.4
129.06979	2.4
131.08586	11.1
131.43193	1.3
131.54233	1.4
132.71852	1.3
133.10138	2.8
135.11705	6.0
139.11183	3.4
140.03212	1.4
143.08620	2.1
145.10165	12.0
147.08029	1.8
147.11742	2.2
149.09628	12.9
149.13242	2.9
151.07545	11.4
153.09128	2.3
155.07027	2.0
163.11189	19.4
165.09106	2.0
167.07050	3.8
167.10709	10.7
169.08623	100.0
173.09621	4.7
173.13359	2.0
181.12221	10.9
183.13747	1.5
185.13200	1.8
191.10713	15.1
191.14374	1.6
209.11699	12.7
209.15320	2.9
227.12718	11.0
227.16440	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01868	2.1
55.05516	3.9
57.03440	3.0
57.07073	6.2
64.93939	1.6
67.05509	26.6
67.54059	1.5
69.03439	1.6
69.07078	5.1
70.87720	3.5
71.04998	18.6
79.05496	25.1
80.05370	1.4
81.07082	5.5
83.04991	6.8
83.30819	1.6
85.06549	100.0
86.34417	1.5
91.05495	15.3
93.07049	21.9
95.04970	7.5
97.06547	3.5
99.08099	4.0
105.07045	19.1
107.04961	9.9
107.08601	29.3
109.06540	3.0
109.10181	1.4
111.04449	13.5
117.07021	7.0
119.08596	19.2
121.06507	14.4
121.10165	21.8
123.04487	1.6
123.08073	2.2
125.06011	8.2
129.07053	5.9
130.07758	2.3
131.08577	61.2
133.10168	1.7
135.07964	2.1
135.11726	4.7
137.09618	7.1
139.07587	2.0
145.10133	26.6
147.08104	5.4
149.09631	69.7
153.05499	3.9
155.07138	1.8
163.07567	3.3
163.11185	22.2
165.09105	7.9
167.07106	2.6
167.10690	33.6
173.09593	6.8
179.10793	1.7
191.10690	54.4
197.11815	2.3
201.54060	1.3
209.09763	2.3
209.11749	46.9
227.12819	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03960	2.8
55.01857	2.5
55.05503	3.1
57.07056	5.7
67.05508	24.9
69.03428	3.0
69.07070	4.7
71.04990	19.8
71.32156	2.5
71.32477	2.6
79.05501	20.9
81.07041	4.9
83.04983	8.0
85.06548	100.0
91.05475	17.2
93.07047	16.9
95.04980	7.1
97.06538	3.6
99.08096	5.6
101.19086	2.6
105.07033	17.0
107.04959	9.4
107.08607	21.7
109.06509	4.2
111.04450	11.4
117.07020	7.2
119.08585	15.5
121.06520	13.4
121.10140	18.7
125.05943	6.0
129.07021	3.6
130.07794	3.2
131.07594	3.6
131.08580	63.4
132.00830	2.5
133.10175	4.4
135.08141	2.9
135.11667	4.8
137.09593	7.7
145.06531	2.4
145.10110	21.0
147.08066	5.4
149.09624	70.6
152.88864	2.6
153.05392	2.5
163.07596	4.1
163.11147	24.7
165.09126	7.3
167.10715	32.9
173.09595	8.1
191.10678	59.2
209.11765	55.1
227.12814	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	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
54.33903	2.0
55.01866	5.6
55.05516	20.4
56.05861	3.0
57.03435	5.9
57.07077	10.9
60.66077	2.1
64.19376	2.0
65.03948	2.2
67.05511	32.5
69.03410	2.2
69.07072	14.6
69.31036	2.9
69.31442	15.8
70.06573	2.6
71.04632	2.5
71.04999	19.2
71.49527	1.9
79.05497	34.8
81.07065	18.2
82.07397	3.1
83.04973	9.4
83.08618	7.9
85.06550	100.0
91.05491	22.9
93.07049	28.8
95.04975	7.5
95.08597	9.3
97.06532	6.1
97.10165	5.0
98.10517	3.0
99.08078	4.6
100.07619	2.6
100.11266	16.6
103.05489	3.1
105.07036	24.0
107.04960	13.0
107.08607	38.3
108.08955	3.7
109.06551	5.1
109.10163	2.7
111.04449	15.5
117.07009	6.2
119.08591	18.8
121.06532	16.1
121.10167	26.4
123.04389	2.8
123.08130	2.5
125.05971	10.3
125.09679	4.1
125.11621	2.6
128.06221	6.8
129.07025	11.4
130.07811	2.6
130.72044	2.2
131.08588	67.9
133.10123	6.0
135.08115	2.1
135.11693	8.7
137.06021	3.0
137.09630	7.2
141.07018	3.5
142.07765	7.6
143.08568	16.4
145.06479	3.3
145.10135	32.2
147.08083	5.0
147.11731	2.7
149.05994	2.2
149.09634	68.1
149.13228	2.3
153.05515	4.0
155.07060	3.9
155.08591	6.3
156.09344	6.2
157.10144	20.5
159.11786	3.2
163.07516	4.5
163.11194	24.5
163.14906	2.5
165.07011	3.7
165.09117	8.6
166.07816	3.8
167.07068	8.3
167.08432	2.2
167.10692	29.6
169.10162	2.6
170.10825	2.3
171.08037	4.8
171.11708	19.3
173.09671	10.0
181.10115	3.8
181.17842	10.5
183.07983	3.2
183.11729	6.3
184.08882	4.9
184.12468	3.3
185.09618	5.0
185.13316	14.5
191.10681	55.8
199.07526	2.7
199.11211	5.6
199.14854	5.2
209.09758	5.6
209.11708	45.0
209.13570	3.6
227.07042	6.6
227.10619	7.1
227.12715	15.4
227.14363	17.4
227.18001	46.6
228.10190	6.5
228.23260	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	227.0915
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
53.03941	1.5
55.01874	0.8
55.05509	2.6
63.60373	0.7
65.03947	1.9
67.05512	4.5
68.16490	0.6
69.03426	1.9
69.07066	2.6
70.88644	1.6
71.04990	1.8
75.04493	6.1
77.03924	0.8
78.66782	0.6
79.05492	7.9
81.03410	1.3
81.07067	6.9
83.04974	3.4
83.08607	1.1
85.02908	0.9
85.06546	5.1
86.09704	1.5
89.06015	1.3
91.05486	11.7
93.07051	5.8
94.04209	0.7
95.04971	2.6
95.08631	2.3
97.06548	5.1
97.10159	0.7
99.04463	1.6
99.08111	1.0
100.11259	1.6
105.07024	3.8
107.04951	3.6
107.08593	4.7
109.06525	7.5
109.10201	1.6
109.50410	0.8
111.04457	3.3
111.08078	1.5
113.49358	0.7
117.07069	0.8
119.04951	2.2
119.08610	1.6
121.06509	5.4
121.10149	5.1
123.04434	13.6
123.08046	1.5
123.11699	1.3
124.05276	0.8
125.05980	2.1
125.09608	2.3
131.08594	4.2
133.10133	2.3
135.04396	2.2
135.08093	1.5
137.05988	41.2
137.09592	0.9
139.03905	14.7
139.07544	8.4
141.05411	1.1
145.10147	1.8
148.12314	0.7
149.06039	3.6
149.09641	3.6
149.13266	1.1
151.03906	1.4
151.05011	1.6
151.07561	1.3
151.11284	1.1
152.04700	3.3
153.05476	81.8
154.06276	18.1
155.07053	1.9
157.10153	0.7
161.13258	2.4
163.03949	2.2
163.11171	1.6
163.14816	0.9
165.01857	11.8
165.06607	3.1
165.12721	1.7
167.07053	100.0
167.10680	2.1
167.14291	0.9
168.07385	2.1
169.12263	1.2
169.80063	0.7
171.11673	0.9
171.98795	0.7
173.09656	0.8
173.13245	1.8
177.05464	2.6
180.04201	12.7
183.13795	1.9
191.10617	1.7
191.14362	1.7
195.06511	1.9
196.68211	0.8
207.14012	0.7
209.08141	2.2
209.11758	2.5
209.15408	2.5
212.06808	24.2
227.09155	54.3
227.16385	1.1
245.24358	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	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03942	2.9
55.01879	6.8
55.05519	6.0
55.60671	0.7
55.93503	0.9
56.96563	1.3
57.03428	0.8
57.07064	2.4
65.03947	6.1
67.05172	0.9
67.05507	12.8
68.47108	0.7
68.99807	0.7
69.03439	3.6
69.07078	5.0
70.07743	2.7
71.04993	5.3
72.93768	1.3
73.02923	35.0
79.05498	11.1
81.03411	3.0
81.07060	4.3
82.04211	3.4
83.04971	4.7
83.08608	2.7
85.02910	5.4
85.06548	26.3
85.07069	1.1
86.09698	2.0
91.05482	8.4
93.03403	2.1
93.07050	9.1
95.04968	10.8
95.08613	1.8
97.02897	2.7
97.06541	4.5
97.10151	0.8
98.21435	1.4
98.97566	2.1
99.04448	1.5
99.08086	1.6
100.11265	12.9
103.05456	1.5
105.03401	2.0
105.04545	1.2
105.07056	5.2
107.01315	1.1
107.04966	9.3
107.08595	9.6
108.02074	1.6
109.02874	1.3
109.06516	6.6
109.10167	1.7
110.03685	4.3
111.04477	6.2
115.05453	0.9
116.98627	1.1
117.07048	1.7
119.04970	1.1
119.08600	4.4
121.02881	0.9
121.06508	6.9
121.10169	6.2
123.00732	0.9
123.03581	0.9
123.04435	10.5
123.08052	1.7
124.05216	1.2
125.02338	2.4
125.05988	4.8
125.09630	1.6
129.07022	2.5
130.06548	0.9
131.08575	17.8
131.97446	1.3
133.10138	1.4
135.04395	3.8
135.08087	1.3
135.11713	1.3
136.05199	2.4
137.06017	4.5
137.09631	1.3
138.03123	1.8
139.03894	3.7
139.07564	7.1
140.04692	51.8
141.05475	0.7
141.07057	1.1
142.02628	2.1
143.08575	2.1
145.10139	9.3
147.04367	1.2
147.08031	1.7
149.05989	2.6
149.09630	16.9
149.10753	1.4
151.03943	2.6
151.07524	1.8
151.11189	1.0
152.04710	2.5
153.05475	4.5
153.06891	0.8
154.06491	1.2
154.07724	1.0
155.07043	58.5
155.08371	1.9
156.09360	1.3
158.07297	0.9
163.03871	5.2
163.07555	1.3
163.11201	6.7
164.04597	1.2
165.07010	1.0
165.09091	2.8
166.06267	7.5
166.07658	1.7
167.03429	1.4
167.07065	34.5
167.10710	8.2
169.06479	1.2
171.06541	5.6
171.08044	2.0
171.11758	1.3
173.08098	3.8
173.09630	4.4
177.05515	2.1
178.06271	16.7
179.07060	3.9
179.08505	0.8
181.04974	100.0
181.07547	5.4
181.08617	5.8
181.10194	2.2
182.05304	1.6
183.06537	2.2
183.08051	1.3
184.08873	1.9
191.10704	15.9
194.05716	0.9
195.06497	5.2
195.08121	0.8
195.42654	0.8
196.07365	1.1
197.05951	0.7
199.07552	0.7
199.11232	3.1
201.04341	1.0
209.08090	28.4
209.11609	14.0
209.16515	1.6
212.08392	1.7
219.01700	0.9
227.09038	15.3
227.10663	2.5
227.12776	4.0
227.17639	2.3
229.00221	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	225.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.7
55.10167	1.4
57.07059	3.3
59.04990	5.5
67.05507	23.0
69.03434	1.4
69.07066	2.4
70.18364	1.4
71.29066	2.8
79.05493	2.6
81.07041	4.5
83.04977	4.9
85.06544	10.3
91.05470	4.4
93.07050	9.6
95.04990	2.4
95.08614	100.0
97.06522	2.5
97.10150	1.5
105.07033	5.4
107.08590	8.5
109.06517	5.5
109.10160	2.0
113.06000	7.3
119.08585	14.0
121.10184	7.7
123.08086	32.0
123.11717	1.7
130.11205	1.5
133.10100	4.2
135.08130	1.5
135.11714	10.9
137.09608	2.9
141.09119	4.9
147.08029	2.3
147.11679	6.4
149.09641	18.2
151.14871	2.6
159.02859	1.6
161.09628	3.9
161.13275	6.1
163.11201	3.4
165.09160	1.8
165.12753	4.1
174.10426	1.7
179.10750	1.8
179.14236	2.4
189.09096	2.5
189.12778	5.6
207.13802	10.1
225.14885	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	225.1487
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03947	1.3
55.01866	2.0
55.05518	10.4
57.03419	2.5
57.07072	4.3
59.04990	3.9
61.85231	1.4
65.69351	1.7
67.05505	7.2
69.03426	2.2
69.07067	5.2
71.04998	39.0
71.59230	1.6
79.05502	8.6
81.03424	7.3
81.07064	15.4
83.04983	12.8
83.08614	7.5
85.02913	4.4
85.06537	2.7
88.02215	2.4
91.05466	8.9
93.07023	7.0
95.04966	5.1
95.08618	14.3
97.06538	9.2
97.10176	1.6
99.04462	100.0
99.08074	8.3
105.03387	3.5
105.07031	8.7
107.04950	2.3
107.08600	40.7
109.02881	5.8
109.06525	36.7
109.10152	4.2
111.04455	9.2
111.08086	2.2
113.06027	1.5
113.09645	6.4
119.08604	9.5
121.06571	2.3
121.10158	19.4
123.04347	1.8
123.08072	22.5
123.11704	14.4
125.09630	10.0
127.07526	2.1
129.07045	1.9
131.08601	2.2
133.10135	2.5
137.02396	9.0
137.09627	4.2
137.13301	2.4
138.02692	14.0
139.11160	4.5
141.06990	3.7
141.09102	2.1
141.12735	2.1
143.08513	2.2
145.10109	2.0
147.04370	3.4
147.08136	2.1
147.11694	11.6
149.09612	13.7
151.03891	5.1
151.07599	3.1
151.11238	2.0
153.06952	2.2
155.08563	3.6
161.09581	1.8
161.13245	2.4
163.11218	2.1
165.12756	14.5
167.10695	27.8
169.06418	1.8
175.03943	2.6
179.08640	2.5
179.14259	3.2
181.06549	1.6
182.07237	3.6
183.11972	2.2
183.13824	35.7
189.12758	5.4
193.04868	1.8
197.06044	1.6
207.06534	4.6
207.13817	11.4
210.07065	2.0
225.05695	2.4
225.09129	6.8
225.12668	4.1
225.14867	16.7
225.19662	2.4
244.62065	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03936	10.3
55.01873	10.3
55.05516	27.8
57.03423	9.4
57.07084	5.6
63.92332	4.6
67.05514	50.8
67.78336	4.7
69.03440	100.0
69.07077	48.1
71.04992	38.7
71.35791	8.8
79.05499	45.5
79.62136	5.4
81.03407	20.3
81.07069	58.5
83.04983	46.7
83.08612	8.9
85.02911	26.9
85.06519	9.2
87.04478	13.5
91.05495	43.3
93.07049	56.6
95.04978	34.7
95.08612	62.6
97.02879	6.5
97.06546	34.6
99.04473	77.6
99.08076	9.3
101.06004	5.5
105.03410	8.9
105.07036	89.4
107.04984	8.4
107.08601	53.4
109.02903	33.1
109.06535	56.0
109.10191	38.8
111.04450	12.7
111.08099	48.1
115.05434	6.7
117.07026	5.8
119.08592	76.6
121.06502	19.3
121.10162	79.7
122.07276	12.1
122.49435	5.9
123.04410	23.6
123.08089	61.3
123.11698	19.9
125.05991	7.7
125.09641	10.1
127.07572	10.4
129.07047	7.4
131.08574	13.5
133.06480	16.9
133.10155	61.6
135.08075	9.1
135.11713	16.5
137.05960	12.3
137.09630	88.3
137.13191	6.5
139.11189	79.8
141.06937	5.7
143.08539	8.4
145.10146	21.6
147.08093	26.2
147.11723	51.0
148.08835	6.2
149.09624	87.3
151.07527	22.1
151.11218	26.2
156.09360	13.9
159.07950	5.5
159.11652	8.7
160.08875	4.9
160.81990	5.0
161.09615	21.5
161.13286	47.5
163.11151	23.6
165.05449	8.0
165.09180	8.1
165.12791	14.3
167.07019	6.3
167.10709	9.3
171.11650	13.2
174.10405	12.5
179.08667	7.7
179.10660	11.1
179.14388	11.1
181.12158	9.4
189.09103	8.3
189.12758	56.8
193.04961	10.2
207.10207	5.5
207.13789	82.0
210.05348	26.5
225.05548	13.0
225.07590	43.1
225.11044	7.2
225.14671	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03953	4.1
54.74198	1.7
55.01881	2.4
55.05519	19.2
57.03458	2.4
61.26330	2.1
65.03935	4.6
67.05508	7.0
69.03428	8.1
69.07076	4.0
69.07647	1.7
71.04994	6.8
71.17871	4.0
73.69881	1.8
77.03912	2.1
77.09146	2.2
79.05499	10.4
81.03429	10.8
81.07061	11.5
83.04969	5.0
85.02892	2.9
88.12543	1.9
89.03954	2.6
91.05486	68.0
93.07049	14.3
95.04972	12.4
95.08583	10.3
97.06498	2.8
99.04459	8.9
105.03430	2.9
105.07040	25.1
107.04949	4.8
107.08607	33.8
108.05683	2.5
109.02895	29.1
109.06496	7.0
109.10192	11.1
111.08036	2.2
117.07047	2.9
118.04184	4.8
119.04948	54.8
119.08592	49.8
121.06536	10.8
121.10142	11.9
123.08080	53.5
123.11770	3.1
125.09720	2.3
129.07021	3.7
131.08580	6.0
132.02072	5.0
133.06493	3.7
133.10127	14.8
135.08051	11.3
135.11652	3.0
137.06032	2.6
137.09599	8.8
143.08559	4.7
144.09329	3.7
145.10202	3.4
146.03644	3.0
147.04427	52.0
147.08064	9.2
147.11707	32.2
149.02377	6.0
149.09642	5.0
156.09352	4.7
157.03995	4.6
159.11726	18.6
161.09579	4.8
161.13254	19.5
163.11255	2.8
164.04726	4.0
165.09177	2.6
165.12782	2.9
171.11639	3.1
175.03917	83.0
177.01859	3.8
177.12755	13.5
178.07677	3.0
179.07076	5.0
189.12784	13.1
190.80809	1.9
192.04170	27.9
207.06544	100.0
207.13858	17.0
225.09175	4.1
225.14865	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	225.1487
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.75389	0.9
53.03955	1.0
55.01876	1.0
55.05519	4.6
57.03437	1.4
57.07074	1.2
59.04993	1.4
66.68862	0.9
67.05504	6.0
69.03426	3.3
69.07070	1.7
69.66038	1.7
69.66443	3.8
70.73098	0.9
71.05000	1.0
79.05491	4.0
81.03403	1.2
81.07079	8.4
83.04987	55.6
83.08638	1.2
85.02906	1.3
85.06553	3.1
87.04459	2.0
91.05473	3.8
93.07053	6.7
95.04977	4.2
95.08612	10.5
97.06541	2.8
98.20731	1.1
99.04460	1.5
99.08099	19.6
100.11304	0.9
105.07043	7.1
107.04971	1.2
107.08601	14.7
109.02895	1.8
109.06528	45.7
109.10172	3.8
111.04452	25.2
111.08089	1.7
113.09670	1.4
115.54302	0.9
119.08604	6.3
121.06496	7.0
121.10152	11.2
123.08077	100.0
123.11674	3.1
124.08482	1.2
125.05959	2.8
125.09643	10.8
127.07601	5.2
133.10159	3.6
135.08066	2.3
135.11719	2.4
137.05966	1.4
137.09598	2.6
139.11182	2.8
141.09100	3.3
143.08617	0.9
145.10110	1.7
147.08095	1.1
147.11678	5.1
149.09636	12.1
151.07556	5.9
151.11212	3.1
161.09653	1.1
161.13266	3.3
163.11174	3.7
165.12743	9.4
167.10648	8.8
169.08681	1.4
171.11691	1.0
181.12260	2.5
189.12738	4.3
207.10229	1.0
207.13832	15.2
208.62460	0.9
225.12773	1.2
225.14816	13.7
236.98535	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	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02385	0.9
53.03951	1.4
55.05509	1.6
62.25779	0.9
65.03942	4.0
67.05495	1.3
69.81962	4.5
71.04991	2.3
77.03925	1.7
79.05492	1.7
81.03411	1.1
81.07055	3.6
83.04955	2.3
85.02893	1.2
89.03913	2.9
91.05488	53.5
93.07050	1.6
95.04988	4.4
95.08595	3.2
97.06544	1.2
99.04473	6.3
103.05476	2.8
104.02625	1.5
105.03378	3.0
105.07029	1.7
107.04973	1.7
107.08616	2.3
109.06533	2.7
109.10175	1.6
118.04163	7.2
119.04951	54.9
119.08619	1.3
121.02960	0.8
121.06504	1.7
121.10167	1.4
123.04427	1.6
123.08058	3.8
125.09600	1.0
129.03329	1.5
132.02071	5.6
133.02852	2.6
133.08388	1.3
135.04416	2.4
136.05191	2.5
137.09497	1.0
145.02878	2.0
146.03629	2.4
147.04425	49.2
147.08052	1.2
147.11780	1.0
149.02368	8.7
149.09590	1.8
151.07581	0.9
151.11237	1.1
153.05510	1.1
157.03978	4.5
161.13309	1.2
162.05487	1.6
163.03876	1.3
163.11159	1.7
164.04680	6.6
164.06992	1.7
165.09183	0.9
175.03923	83.9
177.01930	2.4
178.02657	0.8
179.07095	5.6
179.08459	1.2
183.06686	0.9
189.12772	1.3
192.04204	24.5
193.04948	2.1
207.06535	100.0
207.13899	1.8
208.06227	1.6
225.11314	1.1
225.14798	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05498	5.7
55.10167	1.4
57.07059	3.3
59.04990	5.5
67.05507	23.0
69.03434	1.4
69.07066	2.4
70.18364	1.4
71.29066	2.8
79.05493	2.6
81.07041	4.5
83.04977	4.9
85.06544	10.3
91.05470	4.4
93.07050	9.6
95.04990	2.4
95.08614	100.0
97.06522	2.5
97.10150	1.5
105.07033	5.4
107.08590	8.5
109.06517	5.5
109.10160	2.0
113.06000	7.3
119.08585	14.0
121.10184	7.7
123.08086	32.0
123.11717	1.7
130.11205	1.5
133.10100	4.2
135.08130	1.5
135.11714	10.9
137.09608	2.9
141.09119	4.9
147.08029	2.3
147.11679	6.4
149.09641	18.2
151.14871	2.6
159.02859	1.6
161.09628	3.9
161.13275	6.1
163.11201	3.4
165.09160	1.8
165.12753	4.1
174.10426	1.7
179.10750	1.8
179.14236	2.4
189.09096	2.5
189.12778	5.6
207.13802	10.1
225.14885	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	225.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03951	1.4
55.05509	1.6
62.25779	0.9
65.03942	4.0
67.05495	1.3
69.81962	4.5
71.04991	2.3
77.03925	1.7
79.05492	1.7
81.03411	1.1
81.07055	3.6
83.04955	2.3
85.02893	1.2
89.03913	2.9
91.05488	53.5
93.07050	1.6
95.04988	4.4
95.08595	3.2
97.06544	1.2
99.04473	6.3
103.05476	2.8
104.02625	1.5
105.03378	3.0
105.07029	1.7
107.04973	1.7
107.08616	2.3
109.06533	2.7
109.10175	1.6
118.04163	7.2
119.04951	54.9
119.08619	1.3
121.02960	0.8
121.06504	1.7
121.10167	1.4
123.04427	1.6
123.08058	3.8
125.09600	1.0
129.03329	1.5
132.02071	5.6
133.02852	2.6
133.08388	1.3
135.04416	2.4
136.05191	2.5
137.09497	1.0
145.02878	2.0
146.03629	2.4
147.04425	49.2
147.08052	1.2
147.11780	1.0
149.02368	8.7
149.09590	1.8
151.07581	0.9
151.11237	1.1
153.05510	1.1
157.03978	4.5
161.13309	1.2
162.05487	1.6
163.03876	1.3
163.11159	1.7
164.04680	6.6
164.06992	1.7
165.09183	0.9
175.03923	83.9
177.01930	2.4
178.02657	0.8
179.07095	5.6
179.08459	1.2
183.06686	0.9
189.12772	1.3
192.04204	24.5
193.04948	2.1
207.06535	100.0
207.13899	1.8
208.06227	1.6
225.11314	1.1
225.14798	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33226	1.0
55.05494	1.3
56.96561	7.0
60.39159	1.0
62.72984	1.0
67.05497	1.5
70.32460	4.0
71.04986	2.4
79.05495	2.2
81.07047	1.6
84.04510	1.4
84.96045	7.4
86.97911	1.2
91.05450	1.1
93.07018	1.5
95.04941	1.6
95.08623	1.3
97.02918	1.5
98.97608	8.4
99.04440	3.8
101.00876	16.9
102.97026	1.1
105.03374	2.2
107.08607	1.7
109.06491	2.6
109.10161	1.8
116.98635	6.0
119.01933	81.1
120.02032	2.3
121.10116	1.5
123.08095	2.0
123.11757	1.5
124.02471	1.1
130.93307	1.2
134.99770	7.7
137.02974	27.4
140.98793	1.4
142.03516	17.1
143.79454	1.0
149.09685	1.2
153.00868	2.8
155.00179	1.7
158.99907	4.8
160.04550	6.1
161.02985	5.1
162.97498	1.5
171.98010	1.3
172.94380	1.4
173.01250	3.3
175.02998	2.1
177.00970	100.0
177.93488	1.3
178.01076	5.8
178.94203	2.5
179.04036	12.7
179.94997	2.5
182.99704	6.6
183.01285	1.3
183.13841	1.4
184.02136	1.4
184.04601	3.4
190.95357	1.8
191.02271	1.3
195.94508	2.2
198.96886	1.7
200.02562	1.8
201.00768	22.2
201.02522	5.1
202.01015	1.5
202.05614	2.5
207.13829	1.9
217.04182	8.8
219.02011	92.4
219.94493	6.3
220.02158	10.8
221.01880	1.2
224.44766	1.1
225.00854	3.4
225.04306	3.1
225.14745	1.3
237.95543	4.4
242.03668	1.9
242.95992	1.3
243.01970	15.0
243.03818	1.2
243.07092	1.3
244.02431	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	225.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	29.3
57.03428	8.0
61.02917	15.2
62.08988	5.4
69.03432	11.8
70.17712	19.3
73.02543	6.0
73.02909	24.8
74.70477	5.2
81.03427	15.4
84.96027	9.9
85.02915	12.7
86.03707	6.1
97.02899	31.7
98.97574	30.4
101.00887	19.3
101.85371	5.3
103.00618	6.9
109.02885	9.5
116.98614	16.1
119.01944	81.9
126.35222	5.7
127.03907	5.4
131.01921	8.0
134.99773	13.2
137.02971	22.8
142.01599	5.9
142.03497	27.3
143.51903	7.8
147.54050	7.8
153.00922	9.0
157.03352	9.2
158.99881	9.1
160.04507	6.6
161.02950	14.2
162.02982	6.2
175.04491	7.4
177.00963	100.0
178.01094	10.6
179.03999	11.2
183.55153	22.5
184.04964	22.7
192.55675	22.1
193.05504	16.2
201.00803	26.4
201.02432	9.3
201.05968	8.5
201.56172	50.0
202.06013	33.1
204.04222	8.2
205.00322	5.8
215.02524	9.7
217.04195	8.7
219.02005	83.1
219.03938	6.7
220.02197	30.5
220.03906	5.7
221.01935	6.3
221.05200	9.7
222.05293	14.3
239.06139	12.6
240.06288	12.3
241.06010	11.3
243.02003	35.5
243.76222	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	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
50.64909	3.8
51.52858	3.5
53.38705	3.5
54.11301	3.1
55.01845	4.5
55.05503	12.4
57.03428	11.2
57.07071	10.5
59.04992	3.5
67.05498	16.1
69.03401	8.8
69.07080	35.4
69.95306	19.1
71.04984	3.6
79.05492	21.0
81.07075	33.9
83.04973	11.4
83.08617	12.1
91.05476	19.2
93.07060	45.9
95.04978	7.6
95.08616	48.7
97.06562	7.1
98.21445	5.6
99.08102	8.0
105.07040	63.4
107.07870	4.6
107.08601	90.0
109.06525	14.1
109.10172	24.6
109.30638	3.4
111.08086	10.0
117.07012	11.9
119.08591	49.9
121.06500	15.7
121.10152	79.7
123.08068	17.6
123.11713	21.4
125.09523	4.6
129.07054	7.4
131.08568	24.6
133.10164	27.3
135.08046	15.9
135.11676	16.7
137.09587	5.7
137.13239	7.8
143.08542	4.9
145.10133	81.5
147.11714	45.5
149.02379	20.2
149.09631	17.4
149.13258	33.2
157.10112	7.6
158.10988	6.1
159.11719	12.9
161.13240	22.3
163.11168	16.9
163.14827	100.0
172.12550	6.5
175.14850	6.5
177.12793	5.1
177.16454	25.6
179.08511	5.0
181.10207	7.6
187.14847	67.0
193.10135	13.0
195.11865	4.7
205.12395	3.8
205.15895	79.7
208.12500	6.2
223.06067	11.9
223.11415	5.6
223.13214	10.7
223.14851	26.8
223.16969	53.5
225.04260	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	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
50.63963	3.0
55.05511	15.0
57.03433	7.8
57.07070	12.4
59.05009	6.3
67.05495	14.2
69.03427	6.6
69.07076	28.9
71.58540	4.2
75.29870	3.0
79.05522	21.4
81.07069	39.3
83.04980	13.7
83.07615	3.4
83.08609	10.3
85.06538	5.0
87.04524	3.8
91.05464	16.4
93.07052	44.4
95.04974	10.7
95.08617	57.4
97.06540	4.3
99.08057	5.9
105.07031	71.0
107.04948	5.9
107.08605	88.1
109.06528	14.7
109.10159	27.7
111.08089	8.0
117.07006	10.3
119.08587	43.0
121.06528	18.6
121.10146	69.8
123.08067	18.9
123.11711	23.6
125.09573	4.9
130.07823	6.3
131.08582	33.2
131.77071	4.1
133.10136	25.4
135.08051	14.0
135.11688	22.2
137.09631	5.3
143.08511	5.3
145.10132	80.2
145.11281	4.3
147.11694	43.5
149.02350	15.0
149.09633	19.4
149.13254	46.5
157.10147	5.2
158.11014	4.5
159.11707	14.5
161.13304	30.2
163.11201	20.0
163.14839	100.0
165.07025	8.7
165.12791	7.0
166.07895	4.8
172.12483	5.1
175.14853	4.2
177.12904	4.6
177.16391	28.8
179.08551	7.7
181.10126	7.2
187.14825	79.6
190.02583	3.7
193.10139	82.0
194.10820	4.5
195.11749	5.6
205.15897	84.3
208.03624	3.8
208.12485	57.6
223.06094	13.4
223.11176	8.3
223.14825	94.2
223.16972	61.2
225.04337	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	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.55156	2.9
55.05514	15.7
57.03434	11.1
57.07069	11.4
59.05001	6.7
67.05516	16.3
69.03416	4.4
69.07069	33.9
70.94415	4.3
70.94743	4.9
71.04997	3.9
75.37996	3.1
79.05506	22.4
81.03428	3.1
81.07069	36.1
83.04989	7.9
83.08616	12.9
84.60184	2.9
85.06556	5.3
89.49121	2.9
91.05467	26.5
93.07056	49.2
95.04971	9.4
95.08605	40.4
96.93279	2.9
97.06545	7.6
99.08086	8.2
105.07047	65.4
107.08604	94.1
109.06496	8.6
109.10162	25.5
111.08077	8.5
117.07028	11.9
117.37248	3.3
118.30043	3.0
119.08587	49.0
121.06525	17.0
121.10158	75.6
123.08105	18.7
123.11713	16.7
129.01358	3.3
131.08582	29.8
133.10152	22.1
135.08057	17.5
135.11685	21.1
137.05989	4.4
137.09578	5.5
139.07556	3.1
143.08598	5.1
145.10143	91.3
145.11284	5.3
146.72238	3.5
147.08066	4.5
147.11687	46.6
149.02338	13.1
149.09630	18.7
149.13264	36.5
151.11198	5.3
153.09109	4.1
157.10217	3.7
159.11703	16.5
161.13292	26.5
163.11177	17.8
163.14842	100.0
165.12837	5.2
165.23972	3.2
172.12483	4.2
175.14888	6.0
177.12883	3.6
177.16415	29.8
181.10060	3.6
187.14845	69.4
193.10059	3.6
205.15912	87.6
208.12427	6.6
217.96144	3.6
223.06075	10.4
223.11362	3.4
223.13173	7.7
223.14903	11.2
223.16879	56.4
225.04407	4.9
227.06421	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	223.1331
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
55.01863	6.3
55.05306	2.3
55.05516	27.8
57.03432	5.8
57.07063	4.2
65.03951	2.9
67.05509	24.2
69.03440	15.2
69.03746	2.6
69.07076	14.7
69.66687	11.9
69.67097	3.3
71.04979	10.5
79.05489	14.3
79.54481	2.3
81.03419	3.5
81.07052	23.8
83.04987	36.8
85.02898	4.2
86.57388	2.5
87.04467	3.6
91.05488	22.8
93.07050	38.0
95.04994	17.2
95.08047	3.9
95.08618	62.4
97.06536	17.5
97.95823	2.3
98.21480	3.6
99.04483	13.3
105.07039	34.9
107.04975	7.6
107.08597	37.3
109.06524	18.3
109.10145	10.5
111.04432	4.6
111.08083	2.8
115.05479	2.2
117.07024	10.8
119.08586	39.8
121.06522	45.2
121.10170	18.7
123.04401	5.0
123.08078	43.1
125.06010	5.9
125.09650	6.0
129.05470	9.6
129.07014	3.7
131.08582	16.6
132.08116	4.8
133.06496	4.2
133.10133	20.9
135.08067	93.3
135.11711	12.2
137.05994	17.9
137.09633	20.9
139.07562	4.5
139.78078	2.4
142.07811	2.9
143.07010	4.9
143.08553	5.7
144.09340	5.6
145.06424	2.9
145.10118	10.6
146.07263	3.0
147.08104	5.2
147.11722	5.6
149.05978	10.1
149.09654	17.9
149.13243	9.3
151.07521	18.0
151.11238	4.7
155.07047	6.1
159.11716	45.9
160.08817	3.0
161.09648	15.0
161.13307	3.1
163.07564	3.3
163.11188	17.6
165.09149	15.6
167.07129	4.6
172.08818	3.5
175.11206	31.0
177.12766	32.5
179.10706	42.3
181.12193	4.2
187.11171	9.3
193.08853	2.6
193.12251	20.4
205.12244	25.5
223.11182	6.0
223.13316	100.0
224.13730	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	223.1331
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03944	4.7
55.01876	5.5
55.05523	22.8
57.03432	6.9
59.04991	7.9
65.03924	4.0
67.05228	2.6
67.05515	32.3
69.03432	22.4
69.07075	17.7
69.07384	4.0
69.87438	11.7
71.04981	8.3
79.05506	22.6
81.03409	3.9
81.07067	32.0
83.04981	42.6
85.02893	4.0
85.06534	3.7
89.65947	2.7
90.15723	2.3
91.05492	43.5
93.07052	76.4
95.04983	31.7
95.08617	55.9
97.02884	3.3
97.06544	12.4
98.21459	3.5
98.97574	2.7
99.04425	4.8
103.05454	5.2
105.07045	42.2
107.04949	6.8
107.08597	46.5
109.02940	3.3
109.06530	26.8
109.10128	7.3
111.04415	4.9
111.08084	9.2
113.06015	2.5
115.05486	4.7
117.07030	21.3
119.08602	43.0
121.02859	2.8
121.06516	75.3
121.10165	27.1
123.04463	6.9
123.08088	36.7
123.11720	2.7
125.05974	6.4
125.09612	9.4
127.07564	3.0
128.06206	4.0
129.05504	3.6
129.06999	8.6
130.07747	2.8
130.76105	2.7
131.08569	22.5
132.18321	2.8
133.10172	26.2
135.08069	77.2
135.11705	14.6
137.05992	14.5
137.09634	20.3
139.07542	14.1
142.07764	3.5
143.07039	4.6
143.08524	2.9
144.09341	8.6
145.06476	7.6
145.10138	17.0
146.07295	3.2
147.08032	11.2
147.11696	6.3
149.02354	7.7
149.05994	7.1
149.09651	40.9
149.13330	5.7
151.07552	10.3
151.11157	6.1
153.09135	7.3
155.07011	6.2
157.10132	7.9
159.08060	6.2
159.11700	43.5
160.08755	3.0
161.09604	17.1
163.07576	10.0
163.11237	21.1
165.09149	15.7
165.12773	3.8
167.07053	3.7
172.08855	6.5
175.11185	33.5
177.09239	3.9
177.12772	30.0
179.03110	2.7
179.10672	32.2
181.12164	4.0
187.11258	16.8
193.12257	22.9
205.08653	4.5
205.12239	30.5
223.05856	5.1
223.07730	3.9
223.09673	5.9
223.13310	100.0
224.13742	2.6
225.04327	9.7
227.02419	2.8
243.42078	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	223.0965
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03703	1.4
53.03948	14.1
55.01880	7.7
55.05509	4.2
57.03433	4.2
57.07066	1.9
65.64494	1.2
67.05508	6.6
69.03424	5.9
69.07076	2.8
71.59433	1.5
79.05498	16.9
81.03425	32.9
81.07049	5.9
83.04990	20.9
84.63824	1.4
85.02889	2.8
91.05484	35.2
93.07049	24.0
95.04984	15.7
95.08598	4.2
97.02915	1.3
97.06538	3.9
98.97569	7.1
99.04485	2.2
103.05466	3.5
105.07031	13.0
107.04977	11.4
107.08604	18.9
109.02887	9.8
109.06538	6.8
109.10180	2.7
111.04446	3.5
111.08083	3.2
113.06028	1.5
115.05449	7.8
116.06259	2.9
116.98631	2.1
117.07026	100.0
118.03282	1.8
119.04935	1.4
119.08593	10.6
121.02898	2.1
121.06506	20.3
121.10156	7.3
123.04443	18.5
123.08085	3.8
125.05969	2.9
127.03977	5.5
128.06288	1.4
128.41316	1.1
129.06992	3.4
131.04913	1.4
131.08582	42.5
133.06528	7.0
133.10109	4.7
134.99352	2.4
135.04413	2.7
135.08058	30.3
135.11685	3.5
136.07581	1.8
137.06012	3.9
137.09586	3.8
139.07542	5.7
141.06953	3.5
143.08611	2.5
145.06502	13.5
145.10115	4.3
147.08008	1.3
147.11671	3.1
149.02367	4.9
149.05974	2.5
149.09613	14.1
153.05472	1.4
153.09093	2.2
158.99670	2.4
159.08066	36.9
159.11693	4.2
161.05984	8.7
161.09630	4.2
162.03143	1.2
163.03940	3.0
163.07559	42.7
163.08925	2.0
163.11153	5.4
164.07059	1.9
165.09111	3.7
167.07111	1.4
177.00627	2.7
177.09120	45.8
177.10658	2.4
177.12708	4.9
179.07030	2.0
179.10703	2.4
181.08650	4.3
187.07536	11.3
195.08557	1.3
195.10185	8.2
205.08612	41.6
205.12177	6.2
223.05998	3.6
223.07625	3.7
223.09631	28.9
223.13120	9.9
223.16974	2.8
225.04297	5.6
227.02226	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	223.133
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03955	8.8
55.05512	43.7
57.03462	4.0
57.07084	4.7
65.03939	3.3
67.05509	24.8
69.03436	22.6
69.07057	13.7
70.06600	3.7
71.04994	28.9
71.13338	7.8
72.08154	3.6
79.05502	29.3
81.07064	21.6
83.04984	92.8
85.02894	15.3
91.05484	29.8
93.07040	43.9
94.06559	4.6
95.04945	22.2
95.08611	50.1
97.02913	8.9
97.06538	46.1
99.04433	4.9
99.08072	8.5
105.07029	39.4
107.04938	12.5
107.08593	45.8
109.02849	3.5
109.06529	24.8
109.10160	17.2
111.04417	4.4
111.08065	6.7
117.06996	16.5
117.14582	3.5
119.08589	45.6
121.06531	23.1
121.10144	48.7
123.08080	60.5
125.05999	15.5
125.09618	6.1
127.03892	4.0
129.05478	10.1
129.06969	6.0
130.07822	4.1
131.08586	21.2
133.10118	14.0
135.08061	66.9
135.11681	27.6
137.06000	4.9
137.09596	18.3
139.07516	6.4
143.07005	14.7
144.09317	11.2
145.10150	25.0
147.08017	16.0
147.11661	4.1
149.02333	13.1
149.09605	7.3
149.13234	11.6
159.08119	8.8
159.11699	61.7
161.09613	3.9
161.13231	5.8
163.07562	7.7
163.11168	56.2
164.88631	3.2
165.09096	29.6
169.85616	3.6
175.11172	12.7
177.05489	6.8
177.06935	4.7
177.09091	5.6
177.12740	48.5
179.10715	4.4
181.08635	6.4
181.12241	12.7
187.11160	11.7
200.59943	3.7
205.12241	27.2
205.65607	3.3
223.05852	6.1
223.07756	6.6
223.13257	100.0
223.16698	5.4
224.09105	5.6
225.04279	22.4
227.02281	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	223.0966
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
51.02371	1.5
53.03947	11.0
55.01881	8.6
55.05515	9.2
56.94779	1.0
57.03440	5.5
59.04994	4.7
61.02938	1.4
66.86397	1.0
67.05506	10.4
69.03442	6.8
69.07074	3.5
70.02106	4.2
70.06586	1.6
71.04997	3.5
72.93798	1.1
79.05497	18.3
81.02977	2.1
81.03426	30.5
81.07065	10.9
83.01353	1.7
83.04987	20.8
84.08164	1.2
85.02922	9.3
85.06532	3.1
86.09742	1.3
89.06039	3.5
91.05484	40.3
93.07052	32.0
95.04973	16.3
95.08616	6.1
97.02885	2.9
97.06548	4.1
97.10171	3.3
99.04487	1.2
103.05476	3.8
104.21243	1.1
105.03423	1.4
105.07032	18.3
107.04950	10.9
107.08607	18.1
109.02899	5.6
109.06529	8.6
109.09408	1.0
109.10163	2.9
110.22660	1.0
111.04429	2.4
111.08100	4.7
113.05987	2.2
115.05460	6.0
116.06219	1.5
117.07022	100.0
118.07359	1.7
119.04980	1.2
119.08602	15.2
120.08126	1.8
121.02877	2.9
121.06503	27.7
121.10139	11.0
123.04452	15.0
123.08064	7.9
123.11655	1.3
125.05990	4.3
125.09663	2.8
127.03944	3.1
128.06250	2.3
129.06996	4.4
131.04948	3.4
131.07582	1.9
131.08568	29.5
133.06482	4.4
133.10136	6.8
134.99454	1.6
135.04466	2.6
135.08061	27.5
135.11694	4.2
137.06003	3.5
137.09599	4.5
139.07561	3.5
141.07001	3.7
143.08565	1.5
144.05737	1.3
145.06493	11.8
145.10092	6.0
147.08058	3.6
147.11717	1.5
149.02327	8.3
149.05965	2.7
149.09630	27.7
149.13226	2.2
151.07552	2.2
151.11214	1.7
152.06210	3.8
153.05493	1.9
153.09161	2.3
157.10144	1.4
159.08069	25.5
159.11679	6.4
161.06085	5.1
161.09634	4.8
162.03178	1.4
162.10378	1.6
163.03946	6.9
163.07549	30.2
163.11186	10.7
165.07014	2.6
165.09128	6.5
167.07181	2.2
167.08556	2.7
169.06506	3.1
175.11157	5.1
176.06219	7.6
177.05566	1.9
177.07005	12.5
177.09129	31.5
177.12784	9.5
179.10683	4.8
181.06418	1.3
181.08739	2.6
181.10367	1.2
181.12173	1.3
187.07574	7.8
187.11205	4.4
190.02592	2.4
193.12334	2.1
194.07335	1.4
195.08061	4.3
195.10188	8.9
205.01379	1.6
205.06549	7.6
205.08630	26.7
205.12247	12.1
208.03661	1.6
209.01164	1.6
223.07559	66.6
223.09689	17.8
223.13264	28.4
223.15361	1.6
225.04391	5.7
227.02293	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	222.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.05512	65.2
56.96555	1.4
58.99582	5.2
59.26873	0.5
67.05489	1.1
69.03426	1.8
70.06599	1.8
71.04977	0.8
71.57769	0.8
72.08146	0.6
72.93813	0.7
76.02242	2.0
76.98383	0.5
79.05479	1.3
81.03441	0.6
81.07063	1.7
82.07365	0.7
83.08621	100.0
84.08121	0.6
84.08936	0.6
84.87794	0.5
86.09716	0.9
86.99055	5.7
90.54581	0.7
91.05480	1.8
93.07051	1.4
95.75740	0.6
97.02905	0.8
98.97585	2.0
101.09659	13.5
103.05475	1.0
105.00098	6.9
105.07022	1.6
107.04982	1.4
107.08568	0.8
109.06552	0.8
109.10179	0.6
111.08063	0.9
113.06007	0.7
116.98639	1.5
117.07072	0.7
119.04945	1.5
119.08591	1.1
121.06553	1.1
121.10174	0.8
122.02744	1.7
130.06531	7.3
130.07372	1.0
131.04964	3.5
131.06868	0.8
133.06523	1.1
135.08099	0.7
137.06039	0.9
147.04456	2.8
148.07573	2.2
149.02347	1.2
154.31963	0.7
158.06001	4.4
159.06358	1.9
159.08397	1.3
160.04025	0.7
162.03133	0.6
162.05470	0.7
163.07614	1.8
165.05450	0.7
176.03491	0.7
176.07001	3.0
176.09036	1.5
177.00755	0.9
178.05000	1.1
179.10738	1.1
181.14961	0.8
190.05055	0.6
192.68883	0.7
198.96887	10.7
198.98703	0.8
204.06557	2.9
205.08937	13.9
216.97961	9.3
219.01523	0.9
221.98630	1.4
222.07738	6.5
222.11195	6.5
222.15108	2.1
223.05936	1.0
225.04359	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	223.0966
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.52385	0.8
54.32058	0.8
55.05503	1.8
55.63895	0.7
57.07071	2.5
65.03946	2.2
67.05500	2.3
69.03429	0.9
69.07068	2.6
79.05496	2.8
81.03420	1.3
81.07071	5.4
83.08647	1.0
85.02919	1.2
91.05492	1.5
93.03410	1.3
93.07056	3.8
95.04974	2.1
95.08630	4.3
105.07027	2.2
107.04939	0.9
107.08617	4.0
109.06496	1.1
109.10167	3.7
111.04402	1.3
111.08073	1.2
111.11732	0.9
115.65311	0.8
117.07021	1.0
119.08590	1.5
121.02874	8.1
121.03936	1.5
121.10140	3.0
123.11664	1.4
125.09572	0.9
131.08554	0.8
135.08086	1.2
135.11641	2.2
145.10114	1.8
149.02354	100.0
149.09698	1.4
149.13203	2.0
163.03923	0.9
163.11148	1.3
163.14813	1.3
165.06970	1.1
167.03337	0.9
167.08517	1.2
177.12852	1.0
177.16447	1.1
187.11139	0.7
187.14819	1.5
193.10269	1.6
198.95673	0.8
202.99171	0.8
205.12274	1.4
205.16008	1.2
223.05777	1.4
223.07587	2.8
223.12999	1.2
223.15176	4.8
223.16954	1.7
225.04346	2.3
229.10376	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	222.0762
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
53.10193	0.4
53.89835	0.4
69.89980	0.9
69.90400	0.9
70.06580	0.5
77.57786	0.4
79.05514	0.4
91.05471	1.9
95.04990	0.5
98.21424	0.6
103.05466	2.7
105.07041	0.9
106.06566	0.8
108.91642	0.4
115.05453	10.4
115.06248	0.5
117.05793	0.4
118.06548	2.8
119.42520	0.4
120.08094	2.7
123.15022	0.4
130.06529	100.0
131.04939	2.7
131.05995	0.4
131.06850	2.8
132.04437	1.5
132.08096	1.2
133.04816	0.8
133.06497	14.5
143.06044	2.0
148.03888	0.4
148.07573	10.5
158.06017	72.8
159.06332	3.0
160.07568	0.5
176.07083	5.1
176.08949	2.5
186.05519	5.3
204.04698	0.8
204.06557	13.4
205.06926	0.5
206.49451	0.4
216.97932	0.7
222.07697	2.8
222.09500	0.9
222.11327	0.9
222.15010	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03949	1.8
53.69797	0.9
55.05514	11.2
57.07070	3.3
59.04983	1.3
64.80780	1.1
65.03947	1.8
67.05512	9.2
69.03409	1.8
69.07069	11.5
70.04010	4.4
71.04598	1.0
71.04997	18.3
79.05496	19.4
81.07063	62.3
81.10320	1.2
83.04974	2.0
83.08611	6.4
85.06557	1.6
91.05475	10.7
93.07050	36.8
95.04977	2.2
95.08619	25.2
97.06544	2.2
97.10178	1.9
98.21380	1.2
99.08103	4.8
103.05493	1.2
105.07037	24.7
107.08601	61.3
109.06487	2.6
109.10163	20.9
111.08076	2.7
113.09622	1.6
117.07020	1.9
119.08594	41.4
121.10155	10.8
123.08083	2.6
123.11701	18.1
125.09620	2.1
127.11171	4.5
131.08508	1.4
133.06467	1.2
133.10135	21.5
135.11705	100.0
137.09616	4.4
137.13284	2.3
139.11127	1.1
143.08588	1.0
145.10092	3.2
147.11693	21.5
149.13292	9.1
151.11278	2.3
159.11665	1.2
160.12486	1.5
161.06062	1.3
161.09747	1.2
161.13258	15.1
163.14778	5.9
165.12727	3.2
174.01262	1.1
175.14864	4.7
176.07140	1.2
177.16432	2.2
203.14345	2.0
203.17969	30.5
204.78093	1.1
207.26558	1.1
221.08035	1.3
221.13452	1.6
221.15381	5.9
221.19017	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05508	14.7
57.07073	10.7
59.04987	4.5
67.05170	2.1
67.05506	22.8
69.07075	26.1
69.50300	10.1
71.04974	4.2
79.05489	13.6
81.07062	52.5
83.04977	3.1
83.08627	9.3
85.06538	4.8
89.91161	1.6
91.05489	13.0
93.07053	31.0
95.04983	3.6
95.08612	75.9
97.06516	6.3
97.10179	4.1
98.21526	2.7
105.07037	50.7
107.07881	2.6
107.08606	52.0
109.06493	4.8
109.10164	52.5
111.08088	12.1
111.11753	2.2
112.69834	1.4
119.08585	51.4
121.10159	24.6
123.08083	5.3
123.11721	21.9
125.09594	2.6
131.08607	2.3
133.10138	37.5
135.07951	2.0
135.11708	11.6
137.09633	5.2
137.13257	5.4
145.10098	2.0
147.08051	4.7
147.11696	58.6
149.13264	11.8
151.11215	3.9
161.13271	28.4
163.14830	17.2
165.09134	5.5
165.12814	7.6
175.14857	12.7
177.16417	3.8
179.14330	2.6
203.17964	100.0
206.10919	4.0
206.16234	2.8
210.50569	1.8
213.13676	1.4
213.82019	1.5
221.13332	3.6
221.15425	6.5
221.19023	75.6
231.36324	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03948	1.9
55.05507	9.9
57.07065	2.7
59.04996	1.0
64.89822	0.8
67.05505	9.4
69.03429	1.1
69.07066	11.1
69.60311	3.8
69.60722	2.0
71.04640	1.3
71.04997	15.8
73.06577	1.1
79.05052	1.3
79.05497	18.0
81.07062	48.5
83.04972	3.1
83.08651	4.5
84.62850	0.7
85.06532	1.7
91.05480	15.8
93.07052	40.9
95.04990	6.3
95.08613	27.9
95.09229	1.1
97.06543	2.3
97.10154	1.9
98.20814	1.5
99.08074	4.6
103.05485	1.6
105.07039	34.2
107.08601	66.5
108.08905	0.8
109.06517	3.8
109.10159	20.4
110.63472	0.9
111.08075	2.6
112.03082	0.7
113.09642	1.0
117.07010	3.0
119.08587	41.2
121.06506	2.8
121.10139	13.4
123.08090	4.0
123.11718	17.4
125.09612	1.3
127.11246	3.9
128.06233	1.1
129.06946	1.6
131.08569	18.9
133.06516	1.3
133.10138	28.7
135.11699	100.0
137.09616	4.0
137.13237	3.6
139.11218	1.2
143.08534	3.7
144.09306	1.2
145.10136	7.5
147.08044	2.3
147.11697	18.2
149.13239	3.9
151.07642	1.0
151.11191	2.4
157.10124	2.3
158.10899	1.7
159.11674	5.7
161.06033	1.1
161.09592	2.3
161.13266	18.0
163.11249	1.2
163.14859	7.1
165.12767	2.7
170.10907	1.9
173.13274	18.1
174.13792	0.9
175.08801	0.9
175.11224	1.3
175.14838	12.6
176.07051	1.7
177.16376	2.8
179.17902	0.8
185.13239	5.3
191.14290	5.7
191.59821	0.8
193.15797	1.0
203.14359	9.2
203.15982	1.6
203.17967	32.5
206.10974	0.9
206.16150	1.0
221.06149	0.9
221.13380	1.6
221.15543	11.5
221.19016	39.6
222.07658	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.94919	2.4
55.05514	25.0
57.07075	14.5
60.79855	2.7
61.40523	3.2
62.32047	2.6
67.05507	45.1
69.03426	3.8
69.07076	45.9
71.04975	8.8
79.05493	25.6
81.06581	4.6
81.07063	93.2
83.04985	6.4
83.08622	13.9
85.06554	6.5
91.05473	22.9
93.07054	50.8
95.04977	4.6
95.08614	94.1
97.06538	6.5
97.10170	9.8
105.07043	78.1
107.04951	5.1
107.08601	67.3
109.06516	9.9
109.10166	74.6
111.08089	8.2
117.03436	3.9
119.01099	2.8
119.08588	79.3
121.06498	7.9
121.10157	43.4
123.08098	7.0
123.11703	24.9
125.09688	7.9
131.08597	8.6
133.10150	55.4
135.08089	4.1
135.11726	23.6
137.09634	6.5
137.13231	10.3
143.08609	3.5
145.10133	6.6
147.11693	85.1
149.13255	9.0
151.11241	6.3
159.11726	4.2
161.13252	43.0
163.14883	20.7
165.07034	18.6
165.09210	5.3
165.12770	12.2
175.08629	4.8
175.11282	3.2
175.14873	19.6
176.07126	4.6
177.16371	9.4
179.08708	3.2
193.06531	9.7
193.19548	3.4
203.03534	3.8
203.14122	4.3
203.17966	90.5
203.19728	6.0
206.16272	4.5
221.04265	4.4
221.06078	30.1
221.07942	6.8
221.11526	4.6
221.13399	7.6
221.15526	21.4
221.19012	100.0
222.07660	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.75029	3.3
55.05507	22.0
55.77324	4.1
57.03415	3.7
57.07072	14.9
59.04984	5.5
67.05507	52.6
69.07059	25.0
69.59499	27.8
71.04985	20.2
75.74985	4.0
78.82037	3.9
79.05495	19.0
81.07059	71.5
83.08610	13.0
91.05471	17.9
93.07044	45.0
95.04947	10.6
95.08611	86.7
97.06516	11.4
97.10149	6.7
98.20777	8.4
105.07034	73.3
107.08601	91.9
109.06535	6.3
109.10162	50.2
111.08103	10.6
111.11721	4.5
117.63687	3.7
118.19640	4.3
119.08589	58.6
120.20586	3.9
121.06508	10.7
121.10136	44.1
123.08070	6.3
123.11686	17.6
133.10127	32.6
135.08160	5.2
135.11664	26.7
135.30632	3.9
137.06081	4.1
137.09601	13.5
147.08051	7.8
147.11684	80.1
149.13277	12.8
149.31702	3.7
151.11154	11.7
156.10732	3.9
158.05988	4.6
161.09634	4.0
161.13266	38.2
163.14816	50.7
165.09149	14.2
165.12718	12.5
175.08690	5.9
175.14775	5.5
177.16399	15.6
203.14359	6.0
203.17970	100.0
206.10931	12.8
206.16223	8.4
221.13200	16.9
221.15395	23.3
221.19046	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03919	1.5
55.05511	11.8
57.07080	9.7
59.04992	3.6
62.15619	1.4
65.03910	1.8
66.91796	1.4
67.05505	19.3
68.86338	2.0
69.03426	1.9
69.07066	22.6
70.39462	1.6
71.04993	5.2
71.08618	1.8
71.58664	1.9
72.52777	1.5
77.71408	1.4
79.05499	21.5
79.87614	1.4
81.07059	45.4
83.04992	3.6
83.08609	9.2
84.60587	1.4
84.90062	1.5
85.02923	1.4
85.06535	6.6
91.05470	19.9
91.66743	1.4
93.07046	38.6
95.04967	4.9
95.08611	54.2
97.06537	6.8
97.10159	2.6
103.05415	1.9
105.07034	64.0
105.50339	1.7
107.08597	90.5
109.06532	7.0
109.10164	35.2
111.08096	6.5
111.11766	1.8
115.05462	1.6
117.07034	4.7
119.08592	56.2
121.06530	4.2
121.10150	38.4
123.08051	8.2
123.11718	13.5
124.53214	1.6
125.09660	2.3
129.07021	2.5
131.08577	9.9
133.10135	39.0
135.08070	2.1
135.11708	25.2
137.05913	2.4
137.09612	8.1
137.13242	2.5
139.11201	2.4
145.10127	5.4
147.08060	3.0
147.11694	71.4
149.13289	10.9
151.07562	2.4
151.11177	5.2
152.36432	1.7
157.10196	2.0
159.11659	3.6
160.12337	1.6
161.09628	4.9
161.13271	36.9
163.11179	2.3
163.14839	46.4
165.06990	2.5
165.09164	3.3
165.12761	7.0
173.13261	6.7
175.11211	3.8
175.14838	14.6
177.16402	13.5
178.07578	1.9
179.10678	1.7
179.14363	2.5
185.13274	1.8
191.14354	2.2
193.15860	2.3
203.14322	6.4
203.17967	100.0
204.18265	2.3
206.10919	3.4
206.16312	4.5
221.06081	2.6
221.07942	3.7
221.09749	3.2
221.11551	3.4
221.13365	3.5
221.15550	11.0
221.19029	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.33611	2.0
53.03955	2.5
55.05510	20.2
57.07072	6.9
59.05009	2.2
67.05508	17.9
69.03414	2.6
69.07069	16.8
71.04992	21.5
71.08598	2.0
71.49127	3.5
77.03931	2.1
78.01920	2.3
79.05496	23.9
80.78732	1.7
81.07064	72.2
83.04971	5.0
83.08617	9.5
83.18979	1.8
85.06567	3.7
91.05492	22.3
93.07052	51.6
93.95393	2.0
95.04974	7.3
95.08616	44.9
97.06553	3.2
97.10179	4.4
99.08112	6.5
105.06371	4.0
105.07037	41.4
107.04979	4.1
107.08607	67.5
109.06525	5.7
109.10162	31.2
111.08070	3.8
113.22824	2.1
115.05490	2.5
117.07064	3.3
119.08593	60.0
119.09464	3.2
120.08121	7.1
121.06552	3.4
121.10159	16.4
121.84459	2.0
123.08083	6.7
123.11713	24.0
124.73007	2.0
125.09682	2.9
127.11193	4.9
129.07047	3.0
130.06590	4.1
131.04970	3.3
131.08583	4.3
132.04559	2.0
133.06483	4.1
133.10150	34.2
135.08098	4.1
135.11703	100.0
137.06021	2.4
137.09619	7.1
143.08513	2.5
145.10150	5.3
147.08124	2.7
147.11691	30.9
149.02380	8.0
149.13280	9.3
151.03964	4.5
151.11186	5.4
157.10306	3.1
158.06020	5.2
159.11702	3.5
161.05890	2.7
161.09654	3.8
161.13283	25.8
163.14864	5.9
165.09158	2.1
165.12834	3.1
175.08800	4.2
175.11269	5.2
175.14841	12.1
177.16455	6.3
185.13258	2.5
186.90967	2.5
191.07108	4.1
193.15910	12.6
203.14365	6.8
203.17990	39.6
206.10938	2.6
206.16290	2.2
221.06029	3.7
221.08025	5.3
221.11545	3.8
221.15471	18.7
221.19023	56.9
221.22119	4.6
239.99500	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.74472	1.1
53.03937	2.5
53.10331	1.0
55.01876	1.4
55.05519	10.4
57.03424	2.6
57.07078	8.2
59.04987	4.0
65.39040	1.2
67.05506	17.1
69.03434	2.2
69.07070	23.9
70.18630	4.1
71.04972	4.4
72.40295	1.2
78.96454	1.1
79.05493	19.8
81.07064	43.7
83.04981	2.1
83.08626	7.6
85.06536	5.3
91.05474	23.0
93.07046	39.2
94.06628	1.3
95.04980	9.6
95.08611	49.8
97.06555	7.6
97.10168	3.2
98.20927	1.4
99.08070	2.0
100.33620	1.1
103.05482	2.9
105.07036	100.0
107.04929	1.9
107.08601	87.4
109.06557	6.1
109.10159	21.5
111.08095	6.0
111.11762	1.5
115.05460	1.2
116.06210	1.4
117.07051	6.0
119.08587	66.2
119.12752	1.4
121.06505	4.5
121.09307	2.3
121.10147	36.0
123.08071	8.2
123.11702	10.3
125.09628	1.4
128.06218	2.3
129.07034	4.3
131.08575	63.3
133.06480	1.9
133.10138	38.4
135.08054	2.6
135.11703	25.1
137.09564	5.8
137.13258	3.5
141.09305	1.4
142.07817	2.4
143.08577	7.8
144.09341	2.8
145.10139	17.3
147.08034	2.2
147.11699	54.8
149.13266	8.9
151.07553	2.6
151.11185	4.8
155.08516	1.7
156.09373	2.2
157.10141	5.9
158.06007	1.8
158.10938	6.0
159.11731	7.0
161.09666	5.9
161.13274	33.0
163.06165	1.4
163.11235	1.5
163.14830	42.1
165.09172	1.7
165.12811	7.8
170.10976	3.1
173.13277	65.0
175.08841	2.3
175.11182	2.6
175.14838	28.2
177.16403	10.3
179.14262	1.9
185.13297	8.8
191.14336	21.9
193.15919	2.2
203.14381	17.0
203.17964	83.1
206.10959	2.2
206.16220	2.8
221.07762	1.8
221.09727	1.7
221.13297	3.2
221.15448	21.7
221.19017	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	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03938	1.7
55.05510	8.8
57.03412	1.1
57.07059	3.2
59.04987	2.2
65.03909	1.0
67.05508	10.3
68.99807	0.7
69.07066	10.8
69.61022	6.1
71.04996	14.2
79.05063	1.1
79.05500	18.4
81.07061	53.0
83.04975	3.1
83.08618	5.6
85.06532	2.2
91.04902	0.9
91.05480	14.8
93.07047	41.0
93.32909	0.9
95.04975	6.7
95.08611	28.5
97.06541	4.0
97.10158	1.7
98.20718	0.9
99.08084	2.4
103.05440	1.2
105.07034	38.7
107.04951	1.3
107.08598	61.1
109.06548	4.5
109.09455	1.6
109.10163	19.5
111.08079	2.8
113.09654	1.1
115.05474	0.9
117.07031	4.4
119.08582	47.0
121.06497	4.0
121.10146	12.9
123.04421	0.9
123.08051	3.5
123.11712	14.9
125.09641	1.3
127.11192	4.1
128.06221	1.2
129.06990	2.3
131.08572	20.3
133.06494	1.8
133.10133	31.3
135.08089	1.6
135.11699	100.0
136.12108	1.1
137.09636	3.5
137.13243	2.2
139.11220	1.6
142.07813	1.8
143.08588	4.0
145.10139	8.4
147.08058	1.8
147.11690	18.0
149.09634	1.0
149.13261	5.2
151.07550	1.2
151.11150	3.7
157.10143	3.0
158.10909	1.9
159.11694	5.3
160.12398	1.0
161.08031	1.6
161.09590	3.8
161.13268	19.7
163.11194	1.6
163.14812	8.3
165.12732	2.5
170.10887	1.7
173.13281	22.5
175.11212	2.3
175.14830	13.4
176.06984	1.7
177.16373	2.1
185.13268	5.2
188.08307	1.1
191.14302	8.4
193.15866	1.6
203.10745	1.9
203.14371	10.2
203.17973	25.6
206.10762	0.8
221.06039	1.8
221.11743	1.0
221.15448	14.8
221.18990	38.1
222.07553	2.0
222.19273	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	221.1538
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03941	6.2
55.01868	3.2
55.05510	19.9
64.41192	1.4
65.03931	4.1
67.05507	44.1
69.03419	3.9
69.07079	12.5
70.84759	3.0
70.85088	1.6
71.04987	6.3
73.02855	1.6
77.03897	1.4
79.05498	64.2
81.03429	2.6
81.07060	47.6
83.04982	5.0
83.08613	4.1
85.06534	12.4
87.04474	3.2
91.04901	1.7
91.05480	46.7
93.07049	93.5
95.04974	4.6
95.08611	21.1
97.06531	4.7
98.20821	2.0
99.14330	1.8
103.05425	1.5
103.70735	1.6
104.40798	1.3
105.07035	38.8
107.04950	3.5
107.08601	32.9
109.06522	6.4
109.10162	8.0
111.08080	4.9
115.05486	1.8
117.07032	11.1
119.08585	78.4
121.02874	5.9
121.06522	14.5
121.10151	63.9
123.08054	5.8
123.11665	2.7
128.06219	3.0
129.07019	9.0
131.08546	11.5
133.06467	4.0
133.10144	28.6
135.08076	12.1
135.11707	9.3
137.05981	2.5
137.09634	6.6
139.07516	6.6
142.07802	2.2
143.08559	16.3
145.10112	3.7
147.08061	5.4
147.11711	8.9
149.02353	85.3
149.09599	2.0
151.11195	2.0
153.09111	5.4
154.08055	1.6
157.10118	6.4
158.06064	2.1
159.11708	10.6
161.05966	1.6
161.09639	11.0
161.13266	97.1
162.13631	2.0
163.11108	2.5
165.09167	2.7
173.13304	2.0
175.08755	2.3
175.11186	8.9
175.14850	24.1
179.10725	3.2
185.13275	52.8
193.15871	2.2
203.10716	2.0
203.14333	35.7
203.17973	3.8
206.16277	1.9
221.04292	2.5
221.06085	2.8
221.08009	3.5
221.11786	3.3
221.15379	100.0
221.18645	2.6
222.15646	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	221.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01868	3.2
55.05510	19.9
64.41192	1.4
65.03931	4.1
67.05507	44.1
69.03419	3.9
69.07079	12.5
70.84759	3.0
70.85088	1.6
71.04987	6.3
73.02855	1.6
77.03897	1.4
79.05498	64.2
81.03429	2.6
81.07060	47.6
83.04982	5.0
83.08613	4.1
85.06534	12.4
87.04474	3.2
91.04901	1.7
91.05480	46.7
93.07049	93.5
95.04974	4.6
95.08611	21.1
97.06531	4.7
98.20821	2.0
99.14330	1.8
103.05425	1.5
103.70735	1.6
104.40798	1.3
105.07035	38.8
107.04950	3.5
107.08601	32.9
109.06522	6.4
109.10162	8.0
111.08080	4.9
115.05486	1.8
117.07032	11.1
119.08585	78.4
121.02874	5.9
121.06522	14.5
121.10151	63.9
123.08054	5.8
123.11665	2.7
128.06219	3.0
129.07019	9.0
131.08546	11.5
133.06467	4.0
133.10144	28.6
135.08076	12.1
135.11707	9.3
137.05981	2.5
137.09634	6.6
139.07516	6.6
142.07802	2.2
143.08559	16.3
145.10112	3.7
147.08061	5.4
147.11711	8.9
149.02353	85.3
149.09599	2.0
151.11195	2.0
153.09111	5.4
154.08055	1.6
157.10118	6.4
158.06064	2.1
159.11708	10.6
161.05966	1.6
161.09639	11.0
161.13266	97.1
162.13631	2.0
163.11108	2.5
165.09167	2.7
173.13304	2.0
175.08755	2.3
175.11186	8.9
175.14850	24.1
179.10725	3.2
185.13275	52.8
193.15871	2.2
203.10716	2.0
203.14333	35.7
203.17973	3.8
206.16277	1.9
221.04292	2.5
221.06085	2.8
221.08009	3.5
221.11786	3.3
221.15379	100.0
221.18645	2.6
222.15646	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	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03930	2.0
55.05295	1.0
55.05517	9.8
57.03429	2.6
57.06861	0.8
57.07082	8.5
59.04979	2.3
65.03925	1.6
67.05172	1.1
67.05508	17.2
69.06722	1.4
69.07071	21.2
70.99442	1.9
71.04982	3.2
79.05049	1.9
79.05493	20.4
81.07061	39.4
82.80451	0.9
83.04987	2.3
83.08624	7.8
85.06532	4.1
91.05480	22.1
93.07049	38.2
95.04990	7.1
95.08611	45.1
97.06541	8.1
97.10175	2.6
99.08079	1.9
100.69886	0.8
103.05482	1.6
105.07034	100.0
107.04971	1.2
107.08600	78.5
109.06523	5.7
109.10159	27.0
111.08067	5.9
115.05392	1.8
116.06265	1.8
117.07021	6.2
118.07881	1.0
119.08586	63.2
119.28845	0.9
121.06486	5.8
121.09308	1.9
121.10152	33.6
123.08068	8.6
123.11740	10.1
125.09631	2.8
128.06227	2.1
129.07011	4.0
130.06563	1.6
130.07727	1.1
131.08577	55.2
133.06497	3.1
133.10143	41.4
135.08064	1.9
135.11700	24.0
137.09627	5.8
137.13222	1.3
139.11176	1.8
141.06996	1.2
142.07765	2.2
143.08562	10.4
144.09317	3.0
145.10121	16.1
147.08040	2.5
147.11693	54.5
148.12022	1.2
149.13286	9.6
151.07559	3.5
151.11201	5.5
156.09346	1.7
157.07649	1.6
157.10097	5.5
158.06030	2.8
158.10948	4.8
159.11713	6.2
160.12517	1.3
161.09633	6.2
161.13266	35.9
163.11208	1.9
163.14835	43.6
165.09042	2.2
165.12799	6.9
170.10910	3.9
173.13275	53.0
175.08736	2.6
175.11217	2.4
175.14828	26.5
176.12024	1.1
177.16431	8.7
177.30522	1.1
178.07884	1.1
179.10449	0.9
179.14268	1.0
185.13257	8.9
191.14320	17.7
193.15958	1.7
203.10661	1.5
203.14360	16.8
203.17967	82.4
206.10889	2.7
206.16225	2.2
221.07921	1.9
221.13249	4.5
221.15419	26.2
221.19005	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	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.10676	2.5
52.70989	2.4
53.03952	2.2
55.05521	14.7
57.03431	5.0
59.86285	2.0
67.05505	12.7
69.03429	2.8
69.06725	2.9
69.07074	46.4
70.50285	8.7
71.05016	3.0
79.05508	15.9
81.03424	3.9
81.07064	41.4
81.57159	2.4
83.04983	2.9
83.08611	7.9
85.06518	2.6
91.05495	28.8
91.49846	2.2
93.07057	39.3
95.04967	23.4
95.08622	32.1
97.06540	8.1
99.07516	2.4
105.07041	100.0
107.04964	4.3
107.08607	44.9
109.06509	8.7
109.10162	12.1
111.08103	6.0
111.11736	22.9
117.07038	14.1
119.08595	76.6
119.09445	3.8
121.06527	20.3
121.10145	29.0
123.08067	4.5
123.11713	5.4
123.91866	2.0
125.09721	2.2
128.06218	3.6
129.07022	12.6
130.07817	2.1
131.08585	87.9
133.06493	5.8
133.10149	47.9
135.08076	6.3
135.11658	11.9
137.09584	3.6
142.07805	3.3
143.08569	20.8
144.09317	4.4
145.10123	27.8
147.08086	13.7
147.11702	25.8
149.09639	5.5
149.13275	3.1
153.33018	2.5
155.08514	3.2
156.09369	5.7
157.10156	16.5
158.10899	5.7
159.11726	26.1
160.12468	2.3
161.09692	13.6
161.10791	2.0
161.13263	30.6
163.11183	6.5
163.14827	18.1
165.12770	3.4
170.10953	8.3
173.13286	97.8
174.13609	4.2
175.08768	3.4
175.11186	7.1
175.14845	64.8
175.36378	2.4
176.11986	5.3
177.12732	3.5
185.13289	24.4
191.14316	65.3
193.15964	3.9
203.14331	67.0
203.17998	7.7
206.16258	3.4
221.11821	5.7
221.15387	75.9
221.18826	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	221.1175
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
50.66905	0.9
51.96856	0.9
53.03944	2.1
55.01890	1.3
55.05295	1.1
55.05517	12.1
57.03444	1.3
57.07072	1.9
65.15357	1.0
67.05499	6.2
68.55005	1.3
69.03443	7.8
69.07040	3.0
71.04984	2.0
71.57878	1.0
79.05498	7.4
81.07055	4.0
83.04980	1.4
85.02888	3.9
91.05489	14.6
93.07050	10.6
95.04974	2.3
95.08610	5.1
103.05495	1.6
105.07039	44.0
105.07757	2.1
107.04939	1.7
107.08602	26.6
109.06499	3.6
109.10158	7.6
111.08028	1.4
113.02380	5.7
115.05501	1.7
117.06997	6.3
119.04889	1.4
119.08591	56.3
121.06519	43.4
121.10158	4.5
121.46684	1.0
123.08073	8.4
126.13380	1.1
128.06270	1.0
129.07022	5.9
130.06502	1.3
130.07820	1.6
131.08554	7.4
132.04420	1.3
132.09441	1.2
133.06526	5.1
133.10144	26.7
135.08041	10.5
135.11694	1.5
137.05966	1.9
137.09610	1.2
142.07796	7.2
143.08540	2.2
144.09325	4.3
145.06477	5.0
145.10098	3.3
146.07266	1.4
147.04442	1.2
147.08110	6.4
147.11700	88.7
149.05974	1.0
149.09700	1.3
149.13254	2.1
151.07649	1.0
151.11218	2.7
157.10164	12.5
158.06021	2.1
159.11708	11.9
160.08838	10.9
161.06012	1.4
161.09631	8.0
161.13248	2.7
163.07550	1.3
165.05475	4.3
165.06825	1.8
167.07097	1.3
173.09723	1.0
175.11194	100.0
176.11725	1.5
177.12737	2.7
179.10674	3.1
187.12364	2.5
188.08304	1.6
193.12253	8.9
203.10696	13.1
203.14409	1.4
203.17902	1.1
206.16183	1.5
221.11742	59.8
221.15343	4.8
232.26271	1.0
233.23691	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	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03939	7.3
55.01867	3.1
55.05516	12.3
57.07062	4.5
67.05518	17.7
69.03413	2.5
69.07075	20.5
71.04980	4.4
73.06528	2.2
79.05057	3.6
79.05497	56.8
81.07063	44.2
83.04974	2.2
83.08613	8.1
85.06531	5.4
91.05483	49.4
93.07050	100.0
95.04984	15.0
95.08609	29.2
95.98173	1.8
97.06529	3.1
99.08083	2.2
103.05476	2.4
105.07040	70.7
107.08602	80.1
108.08884	2.5
109.06498	7.9
109.10142	11.8
111.08070	4.2
113.05984	2.7
117.07042	9.4
119.08589	64.2
120.89352	1.8
121.02884	1.9
121.06492	7.2
121.10146	27.3
123.08056	7.5
128.06223	3.5
129.07004	5.8
131.08575	43.0
133.06523	2.7
133.10138	25.0
135.08090	3.5
135.11682	6.3
137.09621	4.4
139.07515	2.4
142.07741	2.1
143.08563	13.4
144.14215	2.4
145.10120	14.9
147.08072	4.7
147.11710	13.5
149.09615	2.2
149.13240	2.1
151.07613	2.1
157.10170	9.6
158.10895	2.8
159.11713	12.0
161.09683	9.2
161.13272	34.3
163.11151	2.6
163.14850	9.8
165.06990	2.4
165.09146	4.2
170.10887	3.4
173.13274	42.4
175.08746	3.5
175.11197	7.3
175.14833	29.7
185.13289	25.7
191.14308	20.3
193.15887	2.3
203.10635	1.7
203.14359	28.5
203.17874	5.5
206.10925	3.4
206.16125	2.6
221.09531	1.9
221.13252	8.0
221.15364	37.5
221.19029	8.8
229.10535	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	221.0924
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05510	1.0
56.96572	4.2
57.07066	0.9
60.95870	0.8
67.05503	1.2
69.03421	1.5
71.13374	1.0
71.13697	1.0
73.02929	0.9
74.02444	1.4
75.02703	2.7
79.05499	0.7
81.07060	1.8
82.02940	2.2
83.08596	1.0
84.04476	0.6
84.08156	1.1
85.02924	1.1
86.08713	0.8
91.05490	1.2
92.04375	0.7
94.06564	4.6
95.04974	0.8
95.08627	0.8
97.02903	1.8
98.06068	1.0
98.32422	0.6
98.97607	7.6
104.04983	0.7
105.07037	1.2
107.04951	1.4
107.08585	0.7
109.10139	1.3
110.97578	1.3
111.08074	1.2
116.98646	3.2
119.08554	0.8
120.08116	0.8
121.06487	1.7
128.98598	0.7
130.06543	71.1
132.04466	43.9
133.10144	1.1
134.99638	1.3
137.05951	0.8
137.09579	1.0
140.04929	0.8
147.04411	1.3
147.09238	1.2
147.11633	0.7
148.07588	3.5
153.09094	1.1
155.04657	3.0
157.07634	39.6
158.06029	89.6
158.99695	2.1
159.06352	1.4
164.05205	0.7
175.08691	100.0
176.07101	2.0
177.00706	0.9
181.04974	0.8
185.07109	1.1
186.05511	2.5
193.16132	0.7
197.01193	1.2
203.06377	1.1
203.08183	15.3
204.06639	4.7
206.16225	1.0
219.01707	1.0
221.09268	20.8
221.12851	4.5
221.15211	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	221.1174
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03932	3.1
55.01875	1.7
55.05518	13.2
56.96556	4.6
57.03428	2.1
57.07070	3.1
58.04762	1.1
61.10406	0.9
61.91294	1.0
63.38251	1.2
65.03932	1.0
65.64755	0.9
67.05508	9.0
69.03431	13.2
69.07044	3.5
69.56625	2.5
69.57042	5.2
71.04974	1.9
72.93793	1.1
73.02921	1.4
73.46185	1.0
77.03926	1.2
77.84710	1.0
79.05123	1.0
79.05494	10.7
79.27550	0.9
81.03396	2.9
81.07060	8.3
83.04974	2.1
83.08592	1.6
85.02924	6.8
86.44976	1.0
91.05477	24.3
93.07056	12.6
95.04955	4.8
95.08608	5.1
97.02879	2.4
97.06536	1.2
98.20809	1.3
98.97574	4.6
99.04471	1.7
103.05446	3.3
105.07036	45.8
107.04939	3.7
107.08599	28.0
107.66158	1.0
109.06521	5.6
109.10159	9.7
109.40816	1.0
110.97561	1.6
111.08064	3.1
113.02385	6.2
115.05427	3.2
116.98620	3.1
117.07021	8.5
118.07799	1.6
119.02520	1.6
119.04922	3.1
119.08586	63.3
121.06513	49.1
121.10122	5.4
123.04369	1.3
123.08087	14.0
123.11718	1.6
128.03046	3.5
128.06252	2.4
129.07014	7.3
130.06528	5.8
131.04848	1.2
131.08592	11.3
132.04430	3.4
133.06493	7.5
133.10133	29.1
135.08061	14.5
135.11693	4.1
137.05971	4.3
137.09602	2.9
142.07800	9.2
143.04808	1.1
143.08527	3.0
144.09369	6.0
145.06502	4.2
145.10121	4.9
145.11125	1.1
146.07256	3.2
147.04393	3.5
147.08073	10.8
147.11694	95.6
148.12025	1.5
149.03564	1.2
149.05966	2.2
149.09633	2.9
149.13257	3.3
151.07593	1.4
151.11194	2.5
153.09109	1.3
157.07611	2.4
157.10147	12.6
158.06059	6.0
159.11697	16.0
160.08833	11.2
161.05986	5.5
161.09645	10.1
161.13332	1.2
163.07568	1.3
165.05473	7.0
165.06816	1.8
165.09114	1.6
175.08684	8.5
175.11194	100.0
177.12743	5.5
179.07138	1.2
179.10690	4.2
185.04596	1.2
185.09650	1.2
187.12320	2.4
188.08322	1.3
193.08620	1.8
193.12244	11.8
200.05130	3.2
203.07076	3.0
203.10674	17.5
203.14403	1.6
206.16299	2.5
212.05118	1.6
219.01489	1.6
221.04163	1.5
221.05913	5.4
221.11722	67.9
221.15353	5.3
237.04359	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	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.88537	0.5
62.44801	0.5
65.20917	0.5
71.20524	1.2
73.67415	0.5
74.02489	0.6
82.02943	2.1
89.49348	0.5
91.05495	0.6
94.06574	4.2
103.05461	0.6
104.04979	0.5
110.28263	0.6
115.05492	0.9
120.08064	0.7
128.05202	0.5
130.06541	55.0
131.06844	0.7
132.04466	37.6
133.04839	0.6
134.06029	1.0
147.06340	0.8
147.09123	1.2
148.07532	1.2
157.07628	23.5
158.06030	73.7
159.06396	1.1
162.05527	2.6
173.23538	0.5
175.08687	100.0
176.07089	1.6
176.09016	1.8
186.05553	2.8
203.08168	1.0
204.06549	7.3
221.09235	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	221.0923
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.03933	1.2
55.01862	2.3
55.05499	1.8
56.05032	1.0
56.96570	27.2
57.03436	1.9
57.07065	1.4
59.77839	0.6
60.95859	4.6
61.02918	2.1
63.94230	0.6
67.05490	1.7
69.03438	4.5
69.07054	1.9
70.06588	2.2
70.20317	2.2
71.04980	0.7
71.95259	1.8
72.08144	2.0
73.02914	3.5
74.02441	0.9
79.05485	1.5
80.93174	0.8
81.03399	1.9
81.07050	3.1
82.02940	2.0
82.61912	0.7
83.08598	0.7
84.08148	1.0
84.96016	1.8
85.02909	4.9
86.09684	1.4
87.04471	1.1
91.05470	2.1
93.07050	1.8
94.06579	4.0
95.04959	1.3
95.08592	2.3
97.02882	4.3
98.97591	38.3
99.04450	0.8
100.07628	2.1
100.99201	0.8
101.00866	1.1
101.02385	0.8
102.96864	0.7
103.00639	0.8
103.02444	0.8
103.05467	1.2
105.07054	1.6
107.04924	3.2
107.08592	1.2
109.02897	1.2
109.06489	0.9
109.10165	2.1
110.01237	0.7
110.97565	4.4
111.08084	2.3
114.96851	1.2
115.05469	1.0
116.98625	28.3
117.01842	0.8
119.00178	0.8
119.01912	4.0
119.04909	1.7
119.08602	2.4
120.01988	0.6
120.08130	1.0
120.97914	1.0
121.01678	6.4
121.02513	0.8
121.02880	0.8
121.06527	3.3
121.10140	0.9
121.95795	2.4
123.08055	0.8
124.35683	0.6
127.03909	1.5
128.02310	1.2
128.98621	9.3
130.06538	69.9
130.93333	1.3
131.00130	1.0
131.01862	1.9
131.06889	1.1
131.08571	0.7
132.04459	43.8
132.97916	1.3
133.01675	1.9
133.03394	0.7
133.10126	1.9
134.99667	17.9
135.08064	1.2
136.06218	0.7
137.02957	1.1
137.05956	1.6
137.09605	1.8
139.02690	1.9
140.00267	1.3
140.04958	0.9
143.01945	0.7
146.99666	10.4
147.03421	0.8
147.04402	4.8
147.09186	1.0
147.11667	1.7
148.07607	4.2
148.54018	1.0
149.01234	1.7
150.98947	1.8
151.02657	0.7
151.11130	0.8
153.00716	2.7
153.09143	1.2
155.04718	1.1
157.01649	1.1
157.07622	29.5
158.01219	1.5
158.06027	78.3
158.99667	2.7
159.06348	1.0
161.01219	2.4
161.02869	2.0
161.09607	1.2
163.11160	0.7
165.00691	3.1
165.09184	0.7
169.03465	1.1
170.01433	0.7
170.99768	1.0
173.01259	1.0
173.03094	1.2
174.99193	3.4
175.00595	0.7
175.02832	3.0
175.08682	100.0
175.14763	1.5
176.07091	2.2
176.08981	1.8
177.00681	2.9
177.04236	0.7
178.98441	5.0
178.99989	1.0
179.02339	5.9
179.10805	0.6
181.04961	4.1
181.38406	0.7
183.04306	0.8
184.04852	0.7
185.02995	1.2
185.06789	0.8
186.05525	2.1
187.04489	0.9
188.05989	1.9
189.00708	1.2
191.02196	0.9
191.03844	0.7
193.00192	4.5
193.01813	1.2
193.03868	2.3
193.15715	1.5
196.99608	7.8
197.01251	2.9
197.03110	4.2
197.06487	2.9
198.02905	0.8
200.04364	0.8
203.02182	5.5
203.03957	0.8
203.08174	4.9
203.17976	1.2
204.06569	5.3
204.10254	2.1
206.07013	1.5
206.16258	1.6
211.02748	0.9
215.02357	1.9
216.01717	0.8
216.98227	0.7
217.00211	2.3
219.01796	1.0
221.03181	8.2
221.05351	1.2
221.09267	19.6
221.12755	1.0
221.15369	2.5
227.02299	0.6
239.04271	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	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
53.72212	0.6
55.05509	1.0
57.07076	6.6
59.05003	5.2
59.66082	0.6
67.05507	6.1
69.07069	5.6
70.02949	7.1
70.76966	2.2
72.04520	15.1
73.02918	3.3
74.02431	1.7
83.04984	1.3
85.06551	10.9
86.09712	2.2
87.08100	2.2
90.05557	100.0
91.91520	0.8
95.04981	7.6
96.08138	2.3
98.02416	17.4
100.03985	3.3
103.07579	8.1
112.07616	1.0
113.06028	3.0
116.03467	13.9
124.07597	17.8
142.08641	7.3
146.06024	2.9
158.11768	1.0
160.09680	2.4
166.08649	2.5
173.54964	0.7
174.11287	2.5
184.09698	17.8
202.10739	30.2
204.14734	0.9
205.15866	1.5
220.11807	27.7
220.17847	2.2
238.48073	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	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05497	0.6
57.07069	0.6
61.50383	0.3
67.05482	1.0
69.03418	0.6
69.07073	0.5
71.67508	0.3
74.37074	0.3
76.30000	0.3
76.70144	0.3
77.83714	0.3
79.05502	0.8
81.07034	1.1
83.04974	0.5
91.05491	1.5
92.05793	0.5
93.07012	1.1
94.07351	0.4
95.08605	0.5
97.06523	0.4
103.12012	0.2
105.07018	1.6
106.07345	0.9
107.08555	0.8
108.08917	0.7
109.06517	0.5
109.10154	0.6
115.05381	0.4
117.05774	0.5
117.06995	0.7
118.06554	9.7
118.07343	0.5
119.08553	1.4
120.08104	0.3
120.08907	0.7
121.06480	0.5
121.10132	1.1
123.08133	0.4
129.06963	0.5
130.07330	1.4
131.04956	0.5
131.08578	0.9
132.08058	2.6
132.08916	1.1
133.06502	0.4
133.08813	1.0
133.10080	1.0
134.09579	0.7
134.10469	1.0
141.07004	0.4
142.07312	1.2
145.05199	0.6
145.06331	0.4
145.10097	0.9
146.09576	2.4
146.10609	0.4
147.10406	0.5
148.12019	0.4
158.06830	0.9
159.07716	0.6
159.11578	0.3
160.05031	0.3
160.07491	5.8
160.12019	1.1
161.09587	0.4
161.12027	0.4
161.13272	1.0
162.06932	0.4
162.09151	6.0
162.13585	0.5
171.07646	0.4
174.06731	0.4
175.07137	2.3
176.10770	4.0
176.14352	26.5
177.09125	4.4
177.11418	1.4
177.12827	0.4
177.14693	0.6
185.13197	0.4
187.07150	0.6
190.09543	3.0
190.12244	2.6
191.12897	0.3
192.14792	0.5
192.69977	0.4
202.09416	1.8
202.13025	0.4
202.15967	0.6
204.14604	1.1
205.15889	3.6
220.10651	3.4
220.16959	100.0
221.15370	1.2
221.17311	1.4
241.81902	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	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
54.24127	0.8
54.55409	0.8
55.01868	2.6
55.05516	7.5
57.03432	1.4
57.07070	1.4
57.14121	1.0
67.05508	11.8
68.38564	0.9
69.03402	1.5
69.06783	1.0
69.07075	10.5
70.80944	2.6
71.04998	4.1
79.05499	10.5
81.07063	27.2
83.04965	3.1
83.08604	2.8
85.06557	1.4
91.05489	14.8
93.07058	20.0
95.04969	4.2
95.08051	1.7
95.08614	23.3
97.06541	6.1
103.05447	2.0
105.07039	28.4
107.04931	1.3
107.08601	17.9
109.06551	4.5
109.10169	12.1
111.08102	2.3
115.05464	2.4
117.07027	9.8
119.07790	1.6
119.08592	22.9
121.06503	2.7
121.09312	1.2
121.10154	16.5
122.00529	0.8
123.08102	5.1
123.11713	2.9
125.09615	2.9
128.06236	1.9
129.07045	6.0
130.07777	2.5
131.04921	2.4
131.07587	1.2
131.08582	18.3
133.10141	20.8
135.08081	3.0
135.11708	9.9
141.06976	3.4
142.08656	1.5
143.08540	2.7
144.05721	1.3
144.09401	2.3
145.06476	2.4
145.09039	1.7
145.10132	22.6
146.05995	1.7
146.10678	0.8
147.08029	1.9
147.11726	6.9
149.05919	1.2
149.09599	3.4
149.13284	2.8
155.08511	1.1
157.07596	1.1
157.10153	2.6
158.07285	1.6
159.04468	1.0
159.08180	4.0
159.11702	26.8
161.09627	2.9
161.13286	14.6
163.11191	4.6
163.12340	1.0
163.14864	1.8
169.06538	1.1
173.05997	1.4
173.09627	1.8
173.13283	8.5
174.06770	5.9
175.11212	1.5
175.14853	5.5
177.09129	1.6
177.12729	2.2
177.16507	1.1
183.11687	1.3
187.07558	1.2
189.09099	6.3
191.07092	1.5
191.10677	1.9
191.14255	1.5
191.17947	2.5
201.09125	2.6
201.12766	2.7
201.16408	23.2
201.20406	1.2
202.29727	0.9
203.14340	17.1
219.06505	3.1
219.10121	7.9
219.13841	8.2
219.17450	100.0
219.21422	2.7
220.17320	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	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72995	12.4
62.27024	13.6
65.48466	14.1
70.10841	52.0
70.86901	12.4
98.97579	100.0
116.98632	43.5
134.99664	14.6
177.00719	18.2
187.07762	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	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.67479	1.8
53.03917	2.2
55.05511	6.8
58.61304	1.6
62.98308	1.6
67.05508	10.2
69.03432	3.6
69.07059	7.6
71.04987	6.9
71.19293	2.2
72.03599	2.0
79.05500	13.4
81.07064	21.7
83.04975	6.4
83.08628	2.0
85.06519	2.4
91.05482	33.7
93.07053	22.1
95.04981	2.8
95.08599	10.2
97.06557	2.6
98.26780	1.9
103.05462	3.7
105.07034	47.0
107.04946	2.8
107.08596	15.3
109.06526	3.3
109.10147	4.8
111.08041	2.6
115.05449	14.6
116.06227	4.3
117.06990	12.0
119.08573	19.2
121.06506	3.0
121.10136	13.6
123.08114	4.0
125.09648	11.2
128.06209	14.7
129.07010	43.3
130.07787	6.6
131.04939	11.1
131.07587	3.1
131.08577	53.8
133.10143	70.1
135.08034	2.2
135.11670	4.2
137.05956	2.9
137.09599	2.5
141.06992	39.9
143.04976	2.8
143.08582	4.0
144.05717	8.7
145.06464	8.3
145.10124	18.3
146.07277	6.3
147.11714	10.2
148.05168	2.9
149.09628	2.6
157.06512	19.9
158.07292	22.3
159.04482	3.8
159.08078	36.0
159.11699	19.9
160.05238	7.1
161.09651	5.7
161.13261	8.8
163.07576	4.4
163.11108	2.3
169.06509	15.4
169.07724	2.6
170.07231	5.9
171.08006	2.4
173.06029	7.2
173.09576	3.0
173.13275	9.0
174.06775	88.2
175.07524	13.5
175.14931	3.6
177.09171	2.0
186.06778	16.4
187.07518	4.1
188.08321	4.9
189.09119	95.7
191.10689	9.9
201.09114	46.1
201.12749	4.4
201.16449	16.2
203.14310	17.4
219.02910	9.6
219.10181	100.0
219.13803	9.9
219.17445	73.0
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	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03422	1.4
67.05499	1.8
68.89666	1.0
71.32702	1.9
74.22227	0.9
74.38383	0.9
79.05482	1.3
81.07049	1.6
91.04972	1.2
91.05491	14.6
93.07040	1.4
95.04938	1.0
95.08624	1.5
103.05476	3.3
105.07058	5.0
107.08596	3.6
115.05432	9.6
116.06233	3.5
117.07044	6.3
119.08601	3.5
121.10135	2.3
128.06236	10.0
129.07018	39.4
130.07762	3.7
131.04955	10.5
131.07579	2.0
131.08574	39.6
133.10132	6.1
137.06015	3.3
141.06999	40.3
143.04926	2.3
143.08577	2.8
144.05708	6.0
145.06500	8.6
145.10133	2.3
146.07317	5.9
153.06958	1.1
157.06500	20.6
158.07281	22.1
159.04443	4.2
159.08057	29.3
159.11693	4.2
159.59659	1.1
160.05209	5.5
161.05994	2.3
161.09647	3.7
161.13269	1.8
163.07509	1.3
169.06479	14.5
169.07704	1.1
170.07269	9.2
171.08035	1.7
173.05997	5.4
173.09604	1.9
174.06776	82.3
175.07556	10.9
186.06766	20.1
187.07480	1.8
188.08316	4.3
189.09117	100.0
190.09489	1.5
191.07021	1.4
191.10703	8.6
201.09117	43.2
203.14307	3.6
219.10182	97.7
219.13783	4.1
219.17397	11.3
220.10513	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	217.1953
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
52.39419	1.2
52.91397	1.4
53.03939	1.4
55.01884	1.2
55.05517	27.3
59.05001	1.8
67.05511	19.8
69.03415	1.6
69.07081	13.4
71.15372	1.7
71.15707	2.1
75.06908	1.2
79.05506	8.4
81.07069	28.4
83.04987	25.6
83.08624	5.1
85.06528	1.6
87.04490	2.7
89.02360	2.3
89.06038	4.5
91.05502	12.1
93.07047	19.6
95.04964	1.7
95.08611	41.1
97.10178	3.5
101.06024	9.5
105.07043	38.4
107.08607	26.3
109.06538	1.8
109.10170	44.5
111.04461	29.3
113.06007	3.8
114.30722	1.3
119.07791	2.4
119.08600	36.1
121.10159	28.0
123.11729	14.7
127.07568	4.8
129.05484	8.8
129.07008	2.1
131.08582	4.4
133.10146	31.9
135.11691	10.6
141.24356	1.4
143.08548	2.2
145.10146	3.1
147.11707	42.0
149.13313	2.0
155.07040	42.0
157.10179	2.4
159.08087	1.4
159.11725	6.4
161.13287	41.6
173.06764	1.6
173.08134	20.8
173.13283	3.2
175.11241	1.3
175.14845	13.5
189.16388	4.6
191.43887	1.5
199.09698	2.7
199.14915	1.5
217.10677	22.2
217.12517	2.9
217.15930	7.4
217.19539	100.0
218.19972	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	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03944	2.5
55.01845	2.5
55.05267	3.1
55.05514	49.4
57.07048	5.4
58.78484	1.8
59.05001	5.3
65.03933	3.2
67.05508	28.7
69.03410	3.4
69.07071	28.1
69.55048	12.7
73.02895	1.8
74.38939	2.0
79.05503	16.6
80.94672	1.9
81.07067	54.0
83.04985	60.6
83.08613	14.5
85.06538	5.2
87.04488	3.7
88.84991	1.9
89.02393	7.1
89.06035	10.1
91.05487	20.6
93.07056	31.0
95.08058	3.6
95.08616	58.1
97.10136	2.0
99.04447	3.7
101.06022	23.4
105.07038	73.5
107.08601	46.4
109.09467	4.0
109.10167	60.1
111.04453	75.1
111.08138	2.0
113.05992	8.4
117.07030	4.2
119.08591	71.4
121.09299	3.3
121.10147	37.6
122.18143	2.1
123.11729	30.0
127.07581	11.2
129.05486	25.4
129.06979	4.2
131.08525	4.3
133.10139	52.1
135.11703	18.3
137.05936	2.8
137.13255	6.7
143.08510	3.1
145.10100	5.6
147.08040	2.3
147.11699	45.6
149.13222	5.5
155.07042	100.0
157.10141	2.7
159.11681	6.4
161.09650	4.8
161.11978	3.2
161.13277	54.6
171.11746	2.4
173.08119	58.2
175.11148	3.7
175.14824	19.0
189.16389	5.5
199.09644	6.5
199.11441	2.9
199.14827	4.6
217.10712	53.1
217.12488	4.5
217.16222	13.9
217.19519	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	Parvifolin
Peak:m/z	Relative Intensity
55.01615	0.3
55.01851	0.3
55.05519	5.4
55.05781	0.5
57.07081	1.1
59.05002	0.4
67.05512	0.9
69.03429	0.7
69.07058	0.4
71.59609	0.4
79.05512	1.5
81.07066	1.6
83.04987	5.7
83.08630	0.8
85.06564	0.5
85.07454	0.2
87.04478	0.7
89.02372	0.5
89.06033	1.0
91.05485	3.2
93.07064	0.9
95.08651	0.6
99.04480	0.4
101.06028	2.3
103.05482	0.4
104.06266	0.3
105.07037	3.2
107.04961	0.4
107.08578	0.7
109.06653	0.3
111.04451	8.6
111.08020	0.3
113.06009	0.7
117.07008	1.1
119.08595	18.1
121.06510	1.6
121.10178	0.8
127.07555	0.8
128.06224	0.8
128.95171	0.3
129.05505	1.9
129.07016	2.0
130.71063	0.3
131.04944	0.4
131.08582	1.1
132.05701	0.7
133.06512	0.9
133.10143	2.5
135.08052	0.5
141.06999	0.7
142.07782	3.3
143.08534	1.5
145.06512	1.2
145.10139	1.1
146.07274	3.6
147.08063	71.9
147.11702	1.3
148.08365	0.7
149.09651	5.7
155.07053	10.2
155.08430	0.6
156.09410	0.6
157.07629	0.5
157.10143	3.2
158.07318	0.3
159.06816	0.5
159.08064	6.4
159.11676	0.9
160.08830	2.7
161.05992	0.3
161.09642	7.1
161.13281	0.7
169.10214	0.4
171.11703	0.9
173.08119	6.4
173.09653	17.4
174.10406	2.1
175.11200	36.9
176.11507	0.6
185.10756	1.3
187.11263	2.1
188.11984	14.7
189.12764	18.5
189.16393	0.9
199.09753	0.6
199.14870	2.0
202.13542	1.1
217.10820	4.7
217.15901	100.0
218.16261	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	Parvifolin
Peak:m/z	Relative Intensity
55.05264	0.5
55.05511	8.4
59.04987	0.5
67.05517	2.2
69.03413	0.8
69.07071	0.9
70.75227	1.2
77.67805	0.4
79.05483	1.8
81.07059	3.2
83.04986	11.3
83.08604	1.4
85.05064	0.4
85.06548	1.0
87.04457	0.9
89.02406	1.2
89.06047	2.1
91.05476	2.7
91.51108	0.4
93.07043	2.5
95.08594	1.5
99.04440	0.9
101.06020	3.5
105.07035	4.4
107.08587	1.9
109.06503	0.5
109.10136	1.3
111.03698	1.0
111.04448	14.6
111.08110	0.5
113.06008	1.8
117.07024	1.1
119.08597	5.2
121.06493	1.3
121.10162	1.1
123.11651	0.5
127.07567	2.1
128.06265	0.7
129.05466	3.2
129.07007	1.6
131.08553	1.3
132.05693	0.7
133.06465	0.7
133.10139	5.0
135.08037	1.1
135.11702	1.5
137.06056	0.5
142.07779	1.5
143.08560	1.3
145.06456	0.9
145.10123	1.1
146.07260	3.1
147.08051	28.7
147.11714	2.7
149.09639	5.7
155.07037	19.5
156.09314	0.5
157.10127	2.2
159.08052	5.3
159.11696	1.3
160.08868	2.2
161.09630	7.2
161.13225	2.1
166.37666	0.4
171.11684	1.1
173.08098	12.2
173.09633	15.7
174.10378	1.8
174.11786	0.5
175.11194	31.0
185.10796	1.6
187.11172	1.6
188.11975	13.9
189.12762	15.9
189.16454	0.8
199.09598	0.9
199.11523	0.6
199.14896	0.9
199.91953	0.5
202.13522	1.7
217.10722	9.9
217.15891	100.0
217.19453	4.3
218.16280	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	Orobanone
Peak:m/z	Relative Intensity
53.03941	1.4
53.52328	0.9
55.01870	1.7
55.05263	1.7
55.05513	29.7
57.07061	3.3
59.04986	3.5
67.05503	6.2
69.03420	3.7
69.07072	5.1
71.04997	1.3
73.02906	1.3
79.05479	5.8
81.07062	8.2
82.70407	0.8
83.04983	40.4
83.08608	4.0
85.06520	3.7
87.04464	2.6
89.02390	4.4
89.06030	7.9
91.05467	11.3
93.07040	9.4
95.04940	2.7
95.08607	12.3
97.06512	0.8
97.10139	1.1
99.04440	1.5
101.06020	15.7
103.05495	1.3
104.09050	1.1
105.07034	22.2
107.08601	9.9
109.06541	5.3
109.10166	5.2
109.10802	0.9
111.04442	52.1
111.08055	2.5
113.05996	6.0
115.05441	2.6
117.07008	5.8
119.08582	27.7
121.06493	2.6
121.10132	5.5
123.08051	3.9
123.41542	1.0
127.07566	6.3
128.06229	3.6
129.05490	14.0
129.06976	5.8
131.08574	11.5
133.06491	2.8
133.10130	23.8
135.08041	2.1
135.11688	2.7
137.05957	1.9
142.07782	7.0
143.08559	9.9
144.09335	2.1
145.10114	10.7
146.07260	2.8
147.08047	41.1
147.09210	2.2
147.11700	11.7
149.09634	4.4
155.07033	77.8
156.09331	3.2
157.10143	12.0
158.10899	1.7
159.08069	4.4
159.11702	23.5
160.08823	2.5
161.05998	1.3
161.09618	13.5
161.13237	4.4
169.03488	3.5
169.10097	1.9
170.10910	1.5
171.11658	8.1
173.08089	41.4
173.09628	11.7
173.13255	8.9
174.10342	2.6
175.07759	1.1
175.11185	31.3
175.14851	6.5
184.12456	3.0
187.11163	1.8
187.14806	2.2
188.11952	8.9
189.09065	1.5
189.12752	14.4
189.16367	9.1
199.09625	3.8
199.11339	2.6
199.14824	16.3
202.13449	1.1
217.10674	34.2
217.12402	3.4
217.15881	100.0
217.19473	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	217.1588
Annotation	Orobanone
Peak:m/z	Relative Intensity
53.03960	0.5
55.05511	6.1
57.03451	0.7
57.07071	1.0
64.26355	0.5
67.05505	1.6
69.07069	1.1
70.79146	1.3
74.74323	0.5
79.05499	1.2
79.15314	0.5
81.07050	2.2
83.04995	6.7
83.08640	1.1
87.04472	0.9
89.06040	1.5
91.05487	2.3
93.07030	1.5
95.08620	2.9
101.06041	2.5
105.07039	5.8
107.08621	1.3
109.10173	1.3
111.04444	10.6
113.06023	1.0
117.07018	2.1
119.08589	19.2
121.06492	2.0
121.10156	2.0
127.07561	1.4
128.06224	1.2
129.05486	1.6
129.07016	2.4
131.08574	2.4
132.05742	0.7
133.06522	1.2
133.10115	5.0
135.08069	0.7
142.07793	3.5
143.08551	1.6
145.06470	1.3
145.10115	1.2
146.07275	3.4
147.08055	70.2
147.11697	2.5
149.09624	5.9
155.06120	0.5
155.07056	11.1
155.08327	0.5
156.09325	0.9
157.10165	3.9
159.08058	6.1
159.11720	3.6
160.08838	2.8
161.09631	7.9
161.13266	2.0
170.10936	0.5
171.11665	0.6
173.08113	8.5
173.09647	16.3
174.10417	1.9
175.11198	36.6
185.10844	1.3
187.11237	2.7
188.11975	13.3
189.12758	18.4
189.16400	2.1
199.09593	0.7
199.14847	3.0
202.13559	1.9
217.10718	7.2
217.15897	100.0
218.16272	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	217.1587
Annotation	Cinalbicol
Peak:m/z	Relative Intensity
55.05507	1.8
58.59364	0.6
59.58815	0.6
67.05503	0.8
69.07063	0.6
79.05500	1.4
81.07066	1.8
83.04987	2.1
83.08615	0.8
83.98975	0.4
87.40490	0.5
87.41134	0.4
91.05476	2.6
95.08612	0.7
98.20745	1.6
101.06030	0.7
105.07032	2.6
107.71146	0.4
108.44555	0.4
111.04438	3.3
113.00307	0.4
113.01175	0.4
113.06025	0.5
113.27460	0.4
117.07032	0.8
119.08586	17.6
121.06523	1.5
121.10131	0.7
128.06226	1.2
129.05461	1.0
129.07011	1.6
131.08569	1.3
132.05765	0.5
133.06464	0.5
133.10138	2.1
135.08060	0.5
141.07053	0.6
142.07802	3.5
143.08566	0.7
145.06506	1.1
145.10136	1.0
146.07277	3.9
147.08055	69.3
147.11717	1.8
148.08401	0.5
149.09647	6.6
155.07072	4.4
155.15027	0.5
156.09346	0.6
157.10126	2.4
158.07281	1.0
159.08092	6.4
159.11674	0.6
160.08827	2.6
161.09654	6.0
161.13390	0.6
171.11713	1.0
172.08847	0.5
173.08139	2.0
173.09621	18.7
174.10382	2.7
175.11198	37.1
176.11485	0.5
184.12486	0.6
185.10782	1.2
187.09718	0.5
187.11107	2.4
188.11974	15.7
189.12750	18.4
199.14854	2.0
202.13550	1.6
214.22969	0.4
215.14381	0.5
217.15894	100.0
218.16252	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	217.1297
Annotation	N-Acetyl-L-arginine
Peak:m/z	Relative Intensity
50.01159	0.8
56.96556	2.8
58.37729	0.8
60.04528	7.8
60.05651	12.0
65.22189	1.0
69.90534	2.6
69.90935	1.9
70.06595	85.0
71.04993	14.6
72.04507	3.1
72.08163	11.0
74.02441	8.2
74.06080	1.2
83.04985	1.2
88.03983	1.3
88.07642	6.3
95.06076	4.2
97.07648	3.0
98.97585	3.3
99.04404	1.1
111.04484	1.3
111.09213	1.8
112.07617	14.2
112.08736	13.4
113.07145	10.5
114.09154	6.5
114.10298	2.5
115.08698	24.0
116.07098	40.5
116.98625	2.1
130.08742	2.1
130.09758	6.5
139.08673	1.9
140.07094	1.6
140.08179	1.1
140.35060	1.1
154.09761	2.0
155.07082	1.5
157.09738	18.6
157.10864	1.4
158.08119	67.6
158.09294	14.3
175.11940	19.4
199.11916	2.6
200.10329	21.2
217.12964	100.0
217.23413	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	217.1588
Annotation	Cinalbicol
Peak:m/z	Relative Intensity
50.48841	0.4
51.57513	0.5
55.05510	1.6
55.68866	0.5
57.07069	0.7
58.41070	0.4
65.50891	0.4
68.58038	0.5
68.89875	0.4
69.03422	0.6
69.67460	1.9
69.67890	1.1
72.59301	0.4
76.67464	0.5
79.05482	1.2
81.07060	2.1
83.04978	2.2
91.05499	3.4
93.07031	0.9
95.08619	0.5
98.21482	0.6
105.07035	3.5
111.04453	2.0
117.07021	1.3
119.08587	19.6
120.33212	0.4
121.06522	1.4
121.10136	0.8
128.06232	0.9
129.05479	0.7
129.07014	1.7
131.08559	1.5
132.05644	0.9
133.06483	1.4
133.10109	2.7
135.08005	1.0
142.07790	2.6
143.08568	1.0
143.74442	0.5
145.06465	1.6
145.10118	1.2
146.07275	3.3
147.08055	74.5
147.11681	1.6
148.08423	0.5
149.09644	6.0
155.07062	3.6
157.10156	3.0
158.07317	0.6
159.08064	7.1
159.11761	0.8
160.08856	2.7
161.09641	7.7
161.13226	1.0
169.15172	0.5
171.11728	0.8
173.08142	1.9
173.09619	18.4
174.10428	2.6
175.11192	35.9
177.15398	0.5
185.10783	1.1
187.11226	2.2
188.11972	15.3
189.12769	19.4
189.16386	0.8
199.14839	1.4
202.13545	1.6
217.15894	100.0
218.16177	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	217.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05268	1.1
55.05518	17.8
56.96554	4.3
59.04980	1.4
60.04536	5.9
60.05393	1.3
60.05654	12.4
69.03419	1.4
69.52074	2.8
69.52486	5.8
70.06599	90.7
70.96078	1.2
70.98103	1.8
71.05003	16.8
72.04507	2.2
72.08160	14.4
73.02946	1.1
74.02446	7.6
83.04987	25.9
84.08121	1.5
85.06545	2.0
86.06059	3.2
87.04470	3.7
88.03972	1.3
88.07637	5.3
88.99159	1.0
89.02402	2.2
89.06045	5.0
95.06084	3.8
96.04520	2.0
97.07659	3.3
98.97565	3.4
99.04456	2.8
101.06019	10.0
111.04456	36.2
111.09231	3.0
112.07616	19.4
112.08738	14.8
113.06001	4.8
113.07126	10.3
113.10765	1.3
114.09177	7.9
114.10301	2.4
115.08703	30.3
116.07100	37.1
116.98621	1.4
127.07558	4.6
129.05501	8.3
130.09778	5.8
137.10706	2.2
138.09164	3.2
139.08665	2.4
140.07140	1.4
140.08194	1.3
146.99672	1.1
154.08681	1.3
154.09766	1.6
155.07047	44.3
157.07025	1.1
157.09752	20.3
157.10892	2.1
158.08125	69.1
158.09299	14.5
173.08122	26.6
174.99146	1.3
175.11940	22.4
193.00244	3.4
199.09691	3.1
199.11977	2.3
200.10333	22.3
217.06917	3.0
217.10757	22.3
217.12967	100.0
218.13564	1.1
230.09366	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	217.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05268	1.1
55.05518	17.8
56.96554	4.3
59.04980	1.4
60.04536	5.9
60.05393	1.3
60.05654	12.4
69.03419	1.4
69.52074	2.8
69.52486	5.8
70.06599	90.7
70.96078	1.2
70.98103	1.8
71.05003	16.8
72.04507	2.2
72.08160	14.4
73.02946	1.1
74.02446	7.6
83.04987	25.9
84.08121	1.5
85.06545	2.0
86.06059	3.2
87.04470	3.7
88.03972	1.3
88.07637	5.3
88.99159	1.0
89.02402	2.2
89.06045	5.0
95.06084	3.8
96.04520	2.0
97.07659	3.3
98.97565	3.4
99.04456	2.8
101.06019	10.0
111.04456	36.2
111.09231	3.0
112.07616	19.4
112.08738	14.8
113.06001	4.8
113.07126	10.3
113.10765	1.3
114.09177	7.9
114.10301	2.4
115.08703	30.3
116.07100	37.1
116.98621	1.4
127.07558	4.6
129.05501	8.3
130.09778	5.8
137.10706	2.2
138.09164	3.2
139.08665	2.4
140.07140	1.4
140.08194	1.3
146.99672	1.1
154.08681	1.3
154.09766	1.6
155.07047	44.3
157.07025	1.1
157.09752	20.3
157.10892	2.1
158.08125	69.1
158.09299	14.5
173.08122	26.6
174.99146	1.3
175.11940	22.4
193.00244	3.4
199.09691	3.1
199.11977	2.3
200.10333	22.3
217.06917	3.0
217.10757	22.3
217.12967	100.0
218.13564	1.1
230.09366	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	217.1224
Annotation	NAPROXOL
Peak:m/z	Relative Intensity
54.85973	0.4
55.05507	2.4
56.49681	0.4
67.05457	0.6
69.03397	0.6
69.65736	2.4
69.66140	0.9
79.05462	0.4
81.07028	0.6
83.05002	2.8
89.05992	0.7
90.66173	0.4
91.05446	0.6
93.07021	0.4
95.08635	1.0
98.21478	0.8
99.04450	0.5
101.05978	1.3
105.07000	1.0
107.04968	0.5
107.08604	0.4
111.04454	3.8
113.05977	0.6
115.05312	0.5
117.06966	0.7
119.08576	2.1
121.06526	1.0
127.07529	0.8
128.06226	0.6
129.05466	0.6
129.07021	1.0
130.53477	0.4
131.08598	0.6
132.21275	0.4
133.06496	0.6
133.10135	1.0
141.78558	0.6
142.07776	1.2
143.08546	1.7
144.08125	0.7
145.06485	0.5
145.10083	1.3
147.08058	5.5
147.11644	0.5
155.07021	5.2
155.08546	1.3
156.09363	3.4
157.06471	0.6
157.10133	7.5
158.07248	1.8
159.08060	1.7
159.11664	0.5
160.08813	0.6
161.05972	1.0
161.09644	1.6
161.86221	0.4
165.07001	1.0
166.07777	1.5
169.06494	9.3
171.08032	1.7
171.11662	3.0
173.08087	3.5
173.09613	2.6
175.07559	2.1
175.11182	1.4
181.10143	2.6
183.08104	1.8
184.08849	68.3
185.09161	1.2
189.12762	2.1
199.11194	100.0
200.11494	2.1
202.11639	0.4
217.12289	37.5
217.15906	4.1
217.19510	0.8
218.12642	0.7
218.21118	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	217.1225
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
51.02383	1.0
53.03957	4.7
55.01884	4.8
55.05296	1.0
55.05516	12.3
55.08318	0.8
59.05000	1.0
65.03943	2.0
67.05505	7.0
69.03434	6.5
69.07093	1.2
71.05026	1.0
71.11466	1.6
77.03925	1.2
79.05503	29.7
81.07066	61.1
83.04996	18.6
87.04471	1.4
89.06033	2.7
91.05486	16.4
93.07049	16.5
95.04989	7.7
95.08609	2.2
97.06548	6.6
99.04463	3.1
101.06027	6.1
103.05478	1.4
105.04541	1.5
105.07043	19.0
107.04963	6.0
107.08599	5.2
109.06532	40.6
109.10204	0.9
111.04455	22.7
111.08137	1.8
113.06053	2.2
115.05507	2.7
117.07010	4.8
119.04961	1.7
119.08582	11.7
121.06520	100.0
122.06821	1.4
123.04431	1.1
123.08080	3.1
127.07572	21.6
128.06230	7.5
129.05522	3.8
129.07022	11.2
131.08582	6.3
133.06517	5.8
133.10141	6.8
135.04427	8.5
135.08031	5.8
137.06000	3.2
138.12582	0.9
141.06963	4.7
142.07803	9.5
143.08582	15.7
145.06511	3.1
145.10132	5.5
146.07378	1.1
147.08034	5.9
147.11705	9.6
153.07011	1.1
155.07047	25.9
155.08423	1.8
156.09341	7.2
157.06548	2.8
157.10149	20.3
158.07300	1.3
159.08134	3.7
159.11739	2.0
160.08929	1.4
161.06047	2.7
161.09666	3.3
161.13309	3.1
165.07072	2.9
166.07791	6.5
169.06522	1.1
171.08107	3.4
171.10258	1.5
171.11725	26.0
171.13147	1.8
173.08138	13.1
173.09676	5.1
175.07602	1.3
175.11218	15.3
181.10110	9.3
184.08890	3.7
189.09155	2.0
189.12776	14.9
199.09708	1.2
199.11214	38.8
217.10780	4.9
217.12332	63.2
217.15869	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	217.0974
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
55.01873	0.3
55.05515	6.0
57.48096	0.3
59.05004	0.4
61.25437	0.3
67.05495	0.6
69.03407	0.4
70.06615	0.3
70.94263	0.6
71.08641	0.6
73.02881	0.5
74.02449	4.9
81.07053	0.3
83.04987	8.7
83.08616	0.7
84.04495	1.4
85.06524	0.6
87.04453	1.2
88.11261	1.8
89.02393	0.8
89.06042	1.4
91.05489	0.3
94.55418	0.2
99.04485	0.7
101.06026	3.2
105.06991	0.3
111.04447	14.4
111.08102	0.3
113.06010	1.5
115.05479	0.4
117.05800	0.3
117.07006	1.1
121.18742	0.3
127.07550	1.5
128.04994	0.4
128.06245	0.6
129.05504	2.2
129.06998	1.2
130.05002	0.5
130.06554	1.4
132.08102	1.5
137.05949	0.5
143.07306	2.0
143.08476	0.5
144.08092	100.0
145.06474	0.5
145.08408	1.3
145.10158	0.3
146.06001	0.4
146.31462	0.3
154.06532	0.4
155.07047	16.6
156.08109	1.1
157.10083	0.6
159.11681	0.3
171.09196	3.2
171.12035	0.6
171.14885	0.3
173.08113	10.6
173.10728	1.2
188.07103	0.4
189.12785	0.4
199.09683	0.9
199.11334	0.4
200.12863	1.1
217.10637	5.4
217.12698	1.3
217.15794	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	217.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.8
56.96568	70.3
57.03418	1.1
59.05005	1.2
60.04521	1.3
67.05504	1.1
69.03423	1.6
69.07079	1.4
70.06595	17.0
70.95901	1.0
70.98129	22.7
71.04994	1.9
71.57634	1.1
72.08148	10.7
73.02914	1.1
74.02425	1.5
74.97585	2.2
81.03438	0.9
83.04990	19.4
84.08142	1.5
85.02905	2.1
85.06561	1.6
85.07094	1.0
87.04467	1.9
88.99164	12.1
89.02368	2.1
89.06033	4.2
97.02897	1.3
98.97585	26.7
99.04479	1.4
101.00864	1.1
101.06029	6.4
107.00195	3.2
110.97573	22.8
111.03700	2.0
111.04449	29.6
112.00870	0.9
112.07614	7.4
112.08737	2.1
113.06002	3.3
113.07152	1.1
115.08721	4.3
116.07084	5.0
116.98633	17.7
119.01929	2.6
127.07553	3.0
128.98611	22.8
129.05518	5.9
129.10199	1.0
131.00142	1.2
133.03427	2.0
134.99660	7.0
137.05975	1.1
145.03455	2.5
146.99669	15.0
153.00731	1.0
155.05757	1.7
155.07034	36.0
156.98088	13.7
157.09778	2.9
158.08145	6.0
158.09238	1.7
158.99593	1.1
165.00717	1.2
173.08118	20.9
174.99159	83.3
175.12015	1.7
191.46771	0.9
193.00223	100.0
194.00569	1.3
198.00677	1.6
199.09680	2.3
200.10265	1.7
205.91605	0.9
207.01765	1.1
211.01268	8.7
216.01869	1.9
217.00092	1.0
217.10712	18.2
217.12939	11.3
217.15390	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	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05055	0.8
56.42212	0.7
56.96568	14.9
57.03422	1.3
61.58296	0.8
69.07070	8.3
70.06590	4.6
70.27283	1.4
70.27680	1.6
70.98120	0.9
72.08143	0.9
72.93787	1.8
73.02911	1.6
77.63457	0.8
82.99818	1.7
84.08128	2.9
84.96001	1.1
85.02921	1.8
86.09708	98.8
97.02889	2.6
97.06532	11.9
98.06012	0.8
98.97593	11.1
100.02493	2.0
100.99162	0.9
101.00269	1.5
101.00880	22.9
110.97559	2.2
113.00768	1.1
113.96391	1.5
116.98620	7.1
118.03536	9.3
119.01926	100.0
120.02010	1.0
128.98625	1.6
130.03497	3.1
131.00273	0.9
131.01920	6.1
132.05011	1.2
133.03433	0.9
134.99638	2.9
136.04550	1.9
136.06210	1.1
137.02960	30.1
140.02293	1.0
142.03476	2.0
144.05057	3.1
144.08714	1.9
144.98058	0.9
145.03445	0.8
146.99619	2.2
149.02937	2.0
150.96915	0.9
154.03470	2.0
154.94249	1.1
155.05553	2.3
158.99681	1.5
160.06410	1.0
161.02881	0.9
162.09753	2.7
165.00743	1.9
168.08727	3.2
172.02858	1.6
172.04533	3.5
172.95300	1.1
173.01338	0.9
173.02948	2.1
173.06602	3.6
186.09764	67.8
190.03867	1.1
190.05591	2.1
190.98633	2.6
191.02367	0.8
191.04012	2.4
191.07642	1.8
196.08162	2.9
197.06648	5.3
204.10837	27.5
208.99745	2.1
209.11311	1.3
214.03935	1.7
214.05708	1.8
214.07639	1.4
214.09241	34.2
215.07645	5.6
232.10316	73.8
232.96492	1.7
233.08688	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	213.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27731	1.2
53.03940	3.6
55.01871	4.5
55.05515	19.1
55.70279	1.4
56.05840	1.3
57.07069	5.0
62.33181	1.6
67.05515	6.3
68.99783	1.8
69.03432	2.3
69.07071	18.5
69.25806	1.2
69.59605	7.9
71.04992	4.2
77.03956	1.2
79.05492	7.2
81.03411	5.5
81.07066	19.1
83.01311	1.3
83.05003	1.9
83.08631	15.2
85.02907	3.1
85.06534	5.1
91.05495	3.4
91.58119	4.1
93.07050	17.1
95.08620	38.3
97.02921	1.4
97.10179	9.5
98.20756	2.9
99.07485	2.1
99.08103	35.6
100.11256	13.0
105.07036	5.6
107.08605	36.7
109.02863	3.6
109.10137	11.6
111.08093	19.5
113.09641	3.7
121.10151	70.5
123.11717	3.6
125.09626	5.3
127.03922	17.5
129.06982	1.6
135.11713	11.7
137.13242	8.4
138.13617	1.4
139.11177	3.2
141.11487	11.6
146.69937	1.3
149.13271	4.3
154.12260	3.9
155.11269	1.8
157.10150	3.1
171.11729	2.4
177.16399	100.0
182.15479	6.9
195.17444	16.0
199.18057	4.9
213.03833	2.1
213.09131	2.3
213.12743	1.6
213.16368	4.2
213.18359	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	213.1851
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.27731	1.2
53.03940	3.6
55.01871	4.5
55.05515	19.1
55.70279	1.4
56.05840	1.3
57.07069	5.0
62.33181	1.6
67.05515	6.3
68.99783	1.8
69.03432	2.3
69.07071	18.5
69.25806	1.2
69.59605	7.9
71.04992	4.2
77.03956	1.2
79.05492	7.2
81.03411	5.5
81.07066	19.1
83.01311	1.3
83.05003	1.9
83.08631	15.2
85.02907	3.1
85.06534	5.1
91.05495	3.4
91.58119	4.1
93.07050	17.1
95.08620	38.3
97.02921	1.4
97.10179	9.5
98.20756	2.9
99.07485	2.1
99.08103	35.6
100.11256	13.0
105.07036	5.6
107.08605	36.7
109.02863	3.6
109.10137	11.6
111.08093	19.5
113.09641	3.7
121.10151	70.5
123.11717	3.6
125.09626	5.3
127.03922	17.5
129.06982	1.6
135.11713	11.7
137.13242	8.4
138.13617	1.4
139.11177	3.2
141.11487	11.6
146.69937	1.3
149.13271	4.3
154.12260	3.9
155.11269	1.8
157.10150	3.1
171.11729	2.4
177.16399	100.0
182.15479	6.9
195.17444	16.0
199.18057	4.9
213.03833	2.1
213.09131	2.3
213.12743	1.6
213.16368	4.2
213.18359	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	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01868	4.9
55.05507	10.7
57.03444	1.5
57.07077	3.0
58.18009	1.2
67.05502	8.9
67.19511	1.2
69.03419	3.7
69.07070	16.6
70.06580	1.8
70.92496	2.7
71.04988	6.0
79.05492	8.7
81.03395	2.8
81.07062	23.2
83.08618	9.7
85.02927	2.2
85.06544	5.7
88.07648	1.5
91.05473	4.6
93.07053	16.1
95.04984	1.7
95.08614	38.3
97.02894	2.2
97.06529	1.9
97.10187	9.8
99.04469	2.7
99.08097	36.4
105.07035	4.8
106.21922	1.4
107.08599	43.2
109.02892	3.5
109.06547	1.6
109.10181	10.2
111.08068	19.2
113.09675	4.1
119.08588	1.8
120.94968	1.5
121.10145	65.4
123.11753	1.9
123.15724	1.3
125.02432	1.8
125.05981	1.4
125.07101	1.3
125.09631	7.8
127.03922	7.2
128.06236	1.4
129.07004	3.0
131.08514	1.3
135.11674	14.1
137.13280	8.7
139.11211	2.3
142.07799	2.6
143.08553	3.5
148.77515	1.2
149.13300	4.9
153.05489	1.3
156.09399	2.1
157.10112	6.0
165.06993	2.7
167.08572	1.9
171.07971	1.7
171.11678	3.3
177.16393	100.0
178.16791	2.1
185.07230	1.8
185.09657	2.9
185.13206	1.5
188.69984	1.5
195.11694	3.4
195.17458	13.6
196.06035	1.3
213.09085	7.8
213.12892	6.7
213.14516	1.3
213.16432	6.4
213.18515	12.0
220.89896	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03937	4.6
55.01870	5.4
55.05515	22.3
57.03444	11.6
57.07084	2.8
65.03938	2.2
67.01862	4.8
67.05509	68.8
68.99772	2.1
69.03426	4.6
69.07072	23.9
70.06563	1.9
71.04988	8.1
77.30969	2.1
78.25715	1.9
79.05507	36.5
79.05953	3.2
81.03412	8.0
81.07062	100.0
83.04976	7.0
83.08631	20.7
85.06526	4.2
87.00840	2.8
88.07619	3.8
91.05482	27.5
93.07048	61.8
95.04986	4.9
95.08606	22.2
97.06522	13.8
99.04448	2.9
99.08092	3.1
105.07037	11.0
107.08588	29.7
109.02863	4.8
109.06487	3.1
109.10165	6.3
111.08092	5.9
115.05421	3.1
117.07025	19.1
119.08597	8.7
121.10166	18.2
123.11703	5.7
125.02344	4.5
127.03922	16.4
128.06218	8.4
129.07013	9.3
131.08563	16.9
133.10146	14.8
135.11736	14.8
141.07010	4.1
141.16273	1.9
142.07796	5.0
143.08580	18.6
145.10136	17.8
149.13263	35.7
152.06233	2.5
153.01866	3.3
155.08507	3.0
156.09358	5.0
157.06551	2.7
157.10139	24.7
159.11700	15.2
165.06964	3.2
167.08624	2.7
169.10152	2.7
170.10867	2.3
171.08121	2.3
171.11720	22.0
177.12758	3.8
180.09302	5.4
185.07237	4.9
185.09569	4.1
185.13275	5.9
195.06519	3.7
195.11684	5.9
195.13837	7.4
198.10365	4.6
213.03804	3.6
213.05562	3.0
213.09131	10.3
213.13005	15.4
213.16406	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03952	18.9
55.01884	11.2
55.05515	29.5
55.41684	1.7
56.96566	2.7
57.03435	4.4
57.07067	2.4
65.03949	2.2
67.05515	13.5
67.05807	3.1
69.03431	11.5
69.07061	6.4
70.06602	17.7
70.33983	7.3
71.04983	3.1
79.05066	3.3
79.05499	55.1
81.03420	23.3
81.07063	43.7
83.04995	4.2
85.02895	2.4
88.07613	2.4
91.05486	23.0
93.07050	47.7
95.04980	17.3
95.08606	8.4
97.02895	12.9
97.06547	13.2
103.05474	3.5
105.07040	23.1
107.04960	27.9
107.08604	27.6
109.02888	2.2
109.06519	14.0
109.10165	4.2
110.03687	2.1
111.04467	4.5
115.03901	7.3
116.06248	3.9
116.07108	3.4
119.01929	2.8
119.08584	9.4
121.02848	3.1
121.06520	14.5
121.09315	2.9
121.10153	51.5
123.04449	22.8
123.08095	11.6
123.11702	6.2
125.02362	18.9
125.05989	29.1
127.03925	9.0
129.07007	3.9
130.96298	5.6
131.08580	30.5
133.10167	3.9
135.04437	9.1
135.08051	10.3
137.05943	3.1
139.03891	3.6
139.11182	5.2
140.04671	14.7
141.05482	42.9
143.01895	3.1
143.03416	13.6
143.08513	3.9
147.08051	5.3
148.97343	5.3
149.09628	100.0
151.03973	2.5
151.11195	3.2
153.05479	71.6
153.06743	4.4
153.09065	2.6
155.07016	9.1
156.09280	2.0
157.10184	4.1
159.08046	4.9
161.02940	5.1
163.03902	8.2
165.05542	2.6
165.07008	3.3
165.09073	2.2
167.07065	9.9
167.10674	11.8
177.09117	59.4
180.09373	2.9
181.04953	6.5
185.13281	5.6
189.97565	1.9
195.06529	7.7
195.10188	54.6
195.11678	3.7
213.11067	19.8
213.13033	2.8
213.16174	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.57918	0.7
53.03939	3.1
55.01862	2.1
55.05505	1.9
56.96559	1.6
58.06562	0.7
59.04990	0.8
63.50821	0.7
65.03940	1.2
67.05492	2.0
69.03426	2.9
69.07056	2.0
70.06599	11.5
70.58338	1.1
70.58713	1.3
71.04977	1.2
72.08154	0.9
78.04708	2.3
79.05498	12.9
81.03426	3.8
81.07040	2.9
83.04984	1.3
83.08606	0.8
85.02910	1.5
85.29568	0.7
86.09699	2.0
88.07626	1.7
91.05490	8.7
93.03371	0.7
93.07052	5.7
95.04968	5.9
95.08617	1.8
97.02866	2.1
97.06470	0.8
98.97581	5.1
99.04454	1.6
103.05476	8.7
105.07036	10.8
106.04182	1.4
107.04962	58.8
107.08599	7.4
107.41003	0.8
108.05254	0.7
109.02862	2.3
109.06518	1.1
109.10165	0.7
110.03675	2.0
110.37122	0.9
111.04482	1.0
111.08100	1.4
115.03969	0.6
115.05460	4.1
116.07076	2.0
116.98621	3.0
117.07005	2.5
119.04962	1.4
119.08585	4.2
120.05727	3.0
121.02835	0.7
121.06492	2.7
121.10159	10.1
123.04431	8.5
123.08098	3.8
124.05226	3.3
125.02369	1.6
125.05988	2.5
125.08491	0.7
125.09595	0.8
127.03926	4.5
128.06233	2.5
128.10753	1.9
129.07019	2.9
130.96283	1.8
131.04926	2.9
131.08617	3.4
133.06506	1.6
133.07523	0.8
133.10104	1.0
134.99588	1.1
135.04439	1.2
135.08064	15.8
137.05963	1.8
139.03883	1.1
140.04729	0.8
140.10698	1.9
141.06978	1.0
142.07793	2.9
143.08591	6.7
145.07614	1.5
145.10098	1.1
147.04361	0.9
148.97377	1.8
149.05957	1.1
149.09621	10.6
149.13188	0.7
151.03879	3.6
152.04694	2.8
153.05443	2.5
153.06905	1.0
154.06319	3.2
155.08617	3.4
156.09215	1.2
157.06554	1.2
157.10138	5.3
158.99632	1.0
159.08125	0.9
159.11678	1.2
163.07549	25.2
165.05658	1.2
165.06973	4.8
167.07056	100.0
167.10747	1.9
168.07385	0.8
168.10269	1.4
169.10190	1.0
170.10930	1.2
171.08054	2.1
171.11708	1.3
173.13301	0.9
177.00761	2.2
177.05499	1.2
177.09113	11.6
179.08565	1.1
180.07838	3.1
180.09381	3.7
181.08585	1.4
183.11801	0.8
185.07167	2.3
185.09720	1.9
185.13228	4.5
195.06537	2.9
195.10168	14.2
195.11742	9.6
198.10417	0.9
205.08055	0.8
213.03850	1.2
213.07031	0.9
213.09412	1.2
213.11185	2.4
213.12910	11.0
213.16295	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	213.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86935	31.1
54.91189	31.7
56.43117	29.7
56.96574	60.6
57.03428	26.5
66.17868	26.5
70.74914	25.4
71.09300	58.6
72.94047	33.2
73.02904	72.2
84.08137	45.6
85.02911	100.0
85.08479	41.9
97.02878	66.9
98.97564	65.0
111.54985	29.6
116.98622	68.5
117.67928	28.5
119.01904	42.4
128.02242	42.0
134.99686	32.3
161.03001	46.7
173.02946	44.5
175.81062	30.8
185.03021	40.2
189.00697	48.6
192.32527	31.9
212.84340	57.3
213.06343	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	213.0911
Annotation	DIPHENYLACETIC ACID
Peak:m/z	Relative Intensity
51.51262	0.6
53.03947	1.2
55.01855	1.1
55.05507	2.0
57.07061	0.6
64.07515	0.7
67.05485	1.9
68.99773	1.8
69.03447	1.3
69.07061	1.9
71.04966	0.9
79.05486	2.6
81.03404	2.8
81.07050	2.3
83.08640	1.0
83.97092	0.7
85.02914	0.9
85.06521	1.1
87.00851	1.0
88.07653	1.2
91.05459	1.0
93.07031	1.8
95.04982	1.9
95.08607	2.2
97.02901	1.2
97.06612	0.7
97.10163	0.9
99.04507	0.8
99.08072	1.8
103.38136	0.7
105.07011	1.5
107.08599	2.7
109.02872	1.7
109.10194	0.8
109.30002	0.7
110.03635	1.0
115.05441	3.1
117.07051	1.2
119.08578	0.9
121.10150	2.3
122.06013	1.2
123.04427	1.0
127.03919	5.3
128.06230	14.2
129.07013	31.0
131.08600	1.5
133.06534	0.9
135.11656	0.9
136.07579	4.3
139.05438	1.0
141.06999	4.4
142.07806	15.4
143.08571	8.7
145.06552	1.3
145.10164	0.8
150.05513	1.2
152.06218	15.3
152.07382	1.1
153.06944	1.0
155.08528	1.9
156.05751	1.5
156.09314	2.1
157.06511	11.1
157.10138	31.5
164.07143	1.5
165.07021	7.3
166.07849	3.1
167.08571	39.0
168.08894	0.9
169.05119	0.7
169.06470	2.9
169.10153	1.7
170.07262	6.4
170.10866	1.7
171.04425	0.9
171.08072	5.3
171.11693	5.4
177.06917	0.7
177.16373	2.7
180.05730	1.7
180.09334	2.1
182.08107	1.8
183.08080	1.4
183.11697	0.9
184.05206	40.8
185.05974	16.4
185.09621	29.9
185.13200	3.3
195.08066	61.0
195.11777	2.3
196.08362	1.0
198.06653	3.4
198.10402	1.2
198.14056	1.1
205.14290	0.7
213.05621	3.7
213.09109	100.0
213.12698	8.9
213.16411	14.1
213.18430	1.0
214.09081	0.9
214.10722	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	213.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47571	1.1
53.03953	13.9
55.01861	4.2
57.03426	2.7
65.03944	1.9
67.05515	6.7
68.99798	7.0
69.03445	9.6
69.18377	1.1
69.81940	2.6
69.82330	2.6
71.01340	0.9
71.04994	7.8
79.05487	5.5
81.03425	52.1
82.04203	4.7
83.01338	3.5
83.04966	3.4
85.02905	10.9
87.00836	10.2
95.04976	18.5
97.02898	14.1
99.04470	11.2
101.41868	1.1
109.02886	48.0
110.03671	38.7
117.05589	1.1
123.04450	18.5
125.02374	8.4
126.03114	2.7
127.03931	100.0
128.06256	2.1
129.07022	1.7
139.03893	1.3
141.05505	2.3
141.07002	1.7
142.07803	2.0
143.08533	2.1
151.03917	19.9
152.06219	1.4
153.01862	5.4
153.06982	4.3
155.08569	1.3
157.10123	4.1
167.08569	1.4
169.04956	0.9
170.07275	1.0
170.10890	1.2
171.07965	1.6
181.06407	5.6
182.07231	1.3
185.05960	1.8
185.09663	2.7
185.13264	1.5
195.02895	2.0
195.08127	2.0
195.11670	1.6
198.06760	3.3
213.03952	53.5
213.09103	14.3
213.12712	3.2
213.16368	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	213.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03739	1.1
53.03949	13.3
55.01856	3.8
55.05511	1.4
57.03428	2.4
57.42555	1.0
65.03925	1.1
67.05508	4.7
68.99803	9.5
69.03435	12.5
69.07073	1.8
70.06600	9.1
71.04999	8.7
71.16582	1.5
71.16911	1.3
72.08151	1.3
76.60596	0.9
79.05486	4.3
81.03423	41.4
81.07056	1.6
82.04195	2.8
83.01334	3.9
83.04964	1.4
85.02912	13.4
86.09681	3.1
87.00835	10.2
91.05478	1.5
93.07047	1.8
95.04979	12.6
95.08585	1.2
97.02916	10.1
99.04469	11.8
105.07030	1.6
107.04870	1.0
107.08568	1.2
107.96771	1.1
109.02885	42.2
110.03672	24.2
116.07059	1.7
121.10120	1.1
123.04443	11.1
125.02361	6.6
126.03172	1.8
127.03925	100.0
128.04144	1.0
128.06288	1.2
129.06989	1.9
141.05528	1.1
141.07036	1.1
142.07819	1.3
145.04895	1.2
149.09587	1.5
151.03905	11.4
153.01857	6.3
155.08540	1.2
156.09294	1.0
157.10088	3.2
177.09219	1.5
185.07137	4.2
185.09680	1.1
195.04803	1.2
195.06471	2.0
213.03941	33.0
213.09174	3.1
213.12653	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05521	1.7
57.07069	4.6
59.89535	0.7
67.05507	6.5
69.03427	1.0
69.07050	3.0
71.04987	2.4
71.05351	1.0
73.46058	0.7
74.15015	0.7
79.05468	3.2
81.03417	2.1
81.07060	44.0
83.04991	1.4
83.08621	2.0
85.31846	0.7
87.04476	5.9
87.71890	0.7
91.05469	2.3
93.07031	2.5
95.04959	0.8
95.08607	9.0
95.27921	0.8
105.07034	2.3
107.08589	2.6
109.10149	4.1
111.08075	1.1
119.08593	1.5
121.10153	1.8
123.11713	62.2
124.12024	0.8
125.13296	1.3
127.62067	1.0
129.06976	0.7
133.10143	2.0
135.11728	1.8
137.06023	0.9
141.07027	1.6
145.99043	0.7
147.11800	1.1
149.13268	1.3
149.16620	0.7
151.11188	100.0
152.11536	1.8
153.06950	1.1
155.08592	3.0
157.10126	1.9
163.74992	0.7
165.07042	2.4
166.00229	0.6
167.08652	1.7
168.09294	2.4
169.10095	2.8
175.14786	0.9
181.10088	2.9
182.10973	1.1
183.07999	1.0
183.11685	2.3
184.09726	1.1
193.10149	2.3
193.12125	1.0
193.15805	0.9
196.08888	1.2
196.12440	1.6
197.01875	0.8
211.07466	3.6
211.11230	2.7
211.14832	6.3
211.16927	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	212.0556
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
50.27859	0.3
53.03947	0.4
55.01880	0.6
56.96551	0.5
57.03469	0.5
60.68961	0.3
65.03941	1.8
67.05495	0.7
68.99800	0.3
69.03426	0.3
69.07051	0.5
69.68967	1.8
70.02969	1.6
70.06603	0.4
71.04406	0.4
72.93781	0.3
74.41491	0.3
79.05482	0.7
80.05032	1.1
81.03432	0.7
81.05814	0.5
81.07057	0.8
82.06592	2.4
84.08131	0.5
91.05500	0.8
92.05008	1.9
92.05840	0.5
93.03412	0.9
93.07081	0.6
94.06560	2.0
95.04983	1.4
96.04486	1.7
96.08130	0.6
97.02911	0.4
98.06055	0.5
98.20750	0.7
98.97607	0.5
105.07014	0.5
106.06580	0.4
108.04465	0.4
108.86689	0.3
109.05267	28.3
110.06049	66.1
111.04478	0.4
120.04476	12.2
120.05246	0.5
121.02879	4.3
122.06049	2.0
123.04451	0.3
124.04018	0.4
124.07604	0.7
127.03890	0.5
134.06024	0.4
137.04727	14.9
138.05510	46.2
139.03912	0.7
139.06166	0.6
140.07069	0.7
148.03940	73.7
149.02330	2.6
149.04311	0.4
152.03497	0.4
162.05472	0.6
166.05008	100.0
167.05334	1.0
176.03426	3.2
177.01868	0.8
180.06537	0.5
180.51474	0.3
184.06081	10.8
184.07637	0.5
184.09691	1.3
194.04504	9.7
194.08099	0.4
195.02919	5.7
212.05550	73.2
213.05788	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.41629	1.5
55.05515	18.1
57.03431	2.2
57.07072	5.7
59.05003	3.4
61.65093	1.8
64.99658	1.9
67.05508	35.3
69.03445	9.3
69.07071	18.5
70.92714	4.6
71.05004	5.1
79.05491	8.0
81.03419	2.5
81.07057	29.6
83.04978	13.8
83.08645	12.5
85.06551	6.3
91.05486	5.7
93.07034	16.6
95.04976	5.3
95.08607	50.8
97.10158	2.5
99.08112	4.7
105.07030	14.8
107.08601	29.2
109.06530	13.7
109.10162	100.0
111.08090	5.5
113.09666	3.5
119.04971	2.6
119.08585	24.7
121.10165	12.2
123.08066	12.9
123.11701	10.2
125.09675	4.3
131.08575	1.9
133.10139	21.7
135.11703	60.7
137.09622	19.8
139.11185	2.6
139.20041	1.9
141.06987	2.7
147.11693	3.3
149.13281	5.1
151.11194	11.8
151.14841	11.1
153.12787	2.2
155.08588	5.2
165.16420	2.6
169.10194	3.5
171.12129	2.0
175.14818	21.6
179.01324	1.7
181.10118	3.1
183.11716	4.3
193.15883	19.2
211.11230	2.0
211.14821	11.8
211.16969	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	1.5
53.80926	1.0
55.01872	2.0
55.05510	20.6
57.03424	3.7
57.07077	5.5
59.04991	3.0
61.70309	0.9
63.55652	1.0
65.03936	1.7
65.57885	0.9
67.05507	33.6
69.03426	7.4
69.07069	23.2
69.52977	7.4
70.79980	1.1
71.04995	13.3
71.08613	0.9
73.47321	0.9
79.05508	7.1
81.03410	2.7
81.06580	1.4
81.07062	38.0
83.04985	15.2
83.08623	11.3
85.06536	5.3
91.05482	8.2
93.07050	20.8
95.04958	4.0
95.08610	59.7
97.06510	6.0
97.10162	4.4
99.04453	7.0
99.08120	4.8
105.06479	1.1
105.07051	12.0
107.08601	33.1
109.06525	13.5
109.10159	100.0
110.11958	0.9
111.08082	18.2
113.06022	1.0
113.09644	3.1
115.07563	1.6
119.08582	35.8
121.10144	20.3
122.07279	1.2
123.08075	31.2
123.11707	20.7
124.12140	1.0
125.09621	4.7
127.07566	1.0
127.11176	1.7
131.08568	2.5
133.10139	35.9
135.11697	64.0
136.12057	1.1
137.09618	46.0
137.13284	2.6
138.10408	3.8
139.11179	3.5
141.06944	1.2
141.12730	1.0
143.08527	1.4
147.11685	4.4
149.13287	10.9
151.11201	10.2
151.14825	12.7
153.07037	1.3
153.12730	3.6
155.08585	5.0
157.10077	1.4
163.11150	1.4
165.07047	2.1
165.12746	3.5
165.16406	2.7
167.07056	1.9
167.08569	1.5
168.09319	1.4
169.10141	4.6
175.14845	39.0
181.10123	3.5
183.08017	1.6
183.11673	3.8
189.43527	1.1
193.12135	1.0
193.15930	21.1
196.08835	1.8
196.12469	2.8
211.07584	3.1
211.11221	4.3
211.14815	10.8
211.16916	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.53136	1.5
53.03958	2.0
55.05516	15.0
57.03451	1.7
57.07087	3.2
59.05021	3.2
60.93229	1.4
62.22226	1.6
63.19962	1.6
67.05173	2.1
67.05511	31.7
69.03439	7.6
69.07072	17.3
69.72424	7.9
71.05003	4.1
71.08633	1.7
74.03409	1.2
79.05489	6.5
81.07068	28.3
83.04991	11.7
83.08627	10.8
84.34623	1.5
85.06542	4.4
91.05468	4.9
93.07062	16.2
95.08614	49.7
97.06528	1.9
97.10184	4.1
98.20759	1.6
99.08092	5.3
105.07061	8.1
107.08606	27.2
109.06538	11.0
109.10166	100.0
109.16970	1.5
111.08069	4.1
113.09647	2.4
119.08604	25.5
120.09336	1.9
121.10162	13.2
123.08056	14.6
123.11728	10.3
125.09637	3.7
126.75344	2.2
133.10146	23.0
135.11707	78.6
137.09630	15.9
139.11189	4.6
147.11731	2.2
149.13258	5.6
151.11177	10.3
151.14853	13.6
153.12758	1.9
165.16385	2.6
175.14821	22.0
193.15891	21.4
211.14977	1.6
211.16954	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68959	1.1
53.03953	1.9
55.05512	16.3
57.03412	1.4
57.07080	5.7
57.26577	1.1
59.05001	2.2
67.05508	31.1
69.03438	9.0
69.07074	18.6
70.11125	4.6
71.05008	5.3
71.08649	1.5
71.62269	1.1
79.05506	6.9
81.03435	1.3
81.07061	28.5
83.04988	13.6
83.08629	8.3
85.06541	5.8
91.05466	5.3
91.91067	1.0
93.07049	16.0
95.04969	3.7
95.08609	49.3
97.06522	2.1
97.10181	2.2
99.08097	4.5
102.14388	1.0
105.07041	9.3
107.08593	28.9
109.06510	12.5
109.10159	100.0
111.08076	3.8
113.09664	2.1
119.08593	26.2
121.06538	1.3
121.10152	12.5
123.08072	15.8
123.11711	13.3
125.09634	1.5
133.09221	2.0
133.10136	18.4
135.11700	70.9
137.09625	18.5
139.11166	3.4
147.11725	2.7
149.13266	7.8
151.11211	11.2
151.14819	10.9
153.12741	6.3
155.08542	1.9
163.14854	1.3
165.07043	1.8
165.16405	2.4
167.07037	1.8
169.10130	2.4
175.14844	24.7
181.10172	1.3
183.11769	1.2
183.15738	3.4
185.51227	1.2
193.12183	1.2
193.15904	19.5
211.11221	2.2
211.14891	3.4
211.16983	7.0
220.00259	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03936	8.6
55.01863	11.2
55.05513	41.4
56.96561	2.9
57.03439	5.1
57.07073	8.6
59.04994	5.2
60.50880	2.9
65.03935	4.3
67.05512	60.3
69.03434	22.6
69.07073	26.6
70.06575	3.0
71.04995	27.9
71.58093	4.3
79.05495	34.1
81.03413	13.5
81.07062	85.8
83.04983	29.8
83.08625	19.5
85.02929	3.7
85.06541	23.9
89.86106	3.1
91.05480	38.6
93.07049	71.8
95.04972	59.7
95.08615	100.0
97.06521	14.1
97.10168	4.9
99.04453	10.5
99.08108	37.3
103.05453	4.5
105.07037	44.6
107.04984	4.7
107.08607	89.9
108.04533	3.1
109.06550	14.0
109.10163	91.7
111.04444	3.2
111.08088	17.4
113.05984	6.5
113.09609	4.4
114.82623	3.9
115.05479	4.2
115.07581	4.2
119.04955	3.6
119.06073	4.6
119.08589	66.4
121.02811	3.8
121.06555	4.5
121.10143	27.1
123.04411	14.5
123.08051	18.4
123.11731	28.1
125.09662	25.7
128.05624	6.2
129.07008	5.0
129.16827	2.7
131.08577	5.5
133.06517	4.2
133.10155	53.4
135.11700	97.5
137.05977	8.7
137.09613	27.3
137.13225	4.6
141.05518	4.1
141.06975	5.3
142.07761	5.2
143.08646	3.7
147.11685	25.4
149.05978	4.2
149.13268	11.7
151.03908	7.3
151.07559	6.6
151.11194	13.6
151.14876	5.8
153.05400	4.3
153.07065	7.3
153.12700	7.6
155.08557	17.3
155.10672	10.6
157.10121	11.2
163.14842	85.3
165.05530	4.7
165.07016	7.3
165.09137	6.6
165.12752	5.3
167.07053	13.8
167.08487	5.9
168.09373	13.7
169.10130	9.0
175.11168	6.9
175.14873	43.2
178.07753	4.3
179.03410	6.6
179.07045	10.4
181.08734	3.8
181.10159	11.2
181.15881	6.3
183.06596	5.0
183.08055	4.8
183.11678	14.5
184.09724	4.1
193.05037	6.5
193.08643	6.7
193.10162	17.7
193.12230	10.2
193.15953	32.8
196.08900	6.2
196.12489	5.3
211.05881	13.9
211.07637	7.3
211.09453	5.6
211.11308	29.9
211.14842	11.2
211.16966	42.6
212.09027	5.3
212.15033	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03948	3.6
55.01861	5.1
55.05262	1.8
55.05514	22.4
55.22373	1.1
57.03421	2.7
57.07070	4.9
59.04999	1.6
60.33522	1.3
65.03945	1.5
67.05506	31.6
69.03433	14.9
69.07075	20.4
70.64624	1.6
70.64980	3.4
71.04993	15.1
79.05494	20.6
81.07062	57.3
83.04986	18.9
83.08611	9.9
83.81171	1.3
85.06546	19.2
91.05486	15.6
93.07046	54.8
94.06561	1.8
95.04982	7.2
95.08611	74.1
96.08956	1.6
97.06550	6.3
97.10163	2.8
99.08099	34.3
103.05473	1.6
105.07028	24.2
107.08600	77.6
108.08929	1.6
109.06528	5.7
109.10163	52.4
111.04439	1.7
111.08097	16.0
113.05965	1.3
113.09660	2.1
115.07558	2.9
119.06078	1.5
119.08591	48.9
121.10139	22.2
123.08070	4.3
123.11722	19.2
125.09639	26.0
131.08578	2.7
133.10132	38.5
133.11076	2.4
135.11694	82.4
136.11978	2.2
137.09618	9.8
137.13251	3.5
139.11203	1.8
147.11719	9.9
149.13300	7.2
151.11162	4.9
151.14908	2.0
152.07089	2.0
153.12740	3.7
155.08589	3.1
155.10664	2.2
163.14830	100.0
165.06981	1.3
165.12820	1.5
165.16472	2.1
167.07068	2.6
167.08420	1.4
175.14832	41.9
181.15912	6.2
185.86868	1.5
193.12267	2.7
193.15883	27.4
196.08881	1.4
211.11208	2.5
211.13097	1.9
211.15173	1.6
211.16946	40.2
214.96315	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03940	4.3
55.01859	3.1
55.05512	29.3
57.03429	5.7
57.07084	9.0
59.04996	1.8
67.05173	2.3
67.05510	39.9
69.03430	19.6
69.07069	18.6
71.04999	17.3
71.59089	2.1
79.05499	24.0
81.03436	2.3
81.07061	70.3
83.04988	15.7
83.08618	9.9
85.06061	2.8
85.06548	34.3
91.04961	2.9
91.05486	31.0
93.07053	67.8
94.06558	6.0
95.04974	23.0
95.08613	100.0
96.08884	1.8
96.69883	1.7
97.06535	7.6
97.10188	3.0
99.04475	11.7
99.08099	23.2
101.05975	3.0
105.07038	39.9
106.07336	2.0
107.08602	84.4
109.06512	8.8
109.10162	61.8
111.04425	2.6
111.08113	13.9
113.05991	2.5
113.09640	4.3
117.07038	2.1
119.06064	7.6
119.08595	83.7
119.09453	4.3
121.06533	2.2
121.10167	20.8
123.02636	2.3
123.04449	3.2
123.08071	5.9
123.11707	15.3
125.09639	39.0
127.07555	2.0
131.08585	2.9
133.10143	52.8
135.11700	94.1
137.02330	4.6
137.05983	2.4
137.09642	20.1
139.11256	2.2
146.03596	4.5
147.08022	2.1
147.11699	14.3
149.06012	2.5
149.13237	9.1
151.03874	1.8
151.07582	2.9
151.11179	7.4
151.14948	2.9
153.12772	2.8
155.08701	2.3
155.10683	54.9
163.13586	3.0
163.14833	39.9
165.09062	2.5
167.06998	2.3
169.10168	2.5
175.14841	65.5
178.06244	9.6
179.01605	5.4
179.03214	1.9
179.06975	1.7
181.10149	2.3
183.06535	2.2
183.08084	1.8
183.11639	2.1
193.12257	3.4
193.15924	27.3
195.09192	2.9
211.04204	3.9
211.06020	3.9
211.09541	2.5
211.11372	3.0
211.14934	2.7
211.16943	23.2
212.11766	8.2
227.57814	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01875	4.6
55.05518	29.0
57.03437	3.4
57.07067	6.0
65.03930	2.0
67.05175	2.1
67.05511	35.9
69.03429	9.6
69.06716	2.3
69.07071	23.9
71.04989	14.8
71.31657	3.4
72.33643	1.4
79.05499	22.5
81.03414	2.2
81.07061	64.9
83.04990	19.4
83.08636	12.8
85.06554	20.3
91.05493	18.9
93.07051	65.1
95.04987	7.5
95.08614	80.4
96.08135	1.6
97.06523	7.4
99.04456	2.8
99.08099	44.0
99.08749	2.5
101.06014	1.7
105.07034	27.6
105.07686	2.6
107.08603	81.0
109.06546	8.2
109.10162	56.2
111.08089	20.6
112.99673	1.5
113.09673	2.2
115.07613	1.6
117.06978	3.2
119.08590	54.5
121.06497	1.8
121.10147	20.4
123.08092	4.6
123.11725	23.3
125.09635	15.4
127.11188	1.9
131.08577	2.3
133.09120	2.3
133.10135	50.9
135.11705	98.8
137.05992	1.7
137.09628	11.6
137.13258	2.9
139.11177	2.5
147.11725	10.6
149.13319	9.8
151.11211	8.9
153.12785	5.9
155.08575	2.9
155.10681	4.2
157.10091	3.2
163.14832	100.0
164.15067	2.1
165.06995	3.4
165.12790	2.2
167.08531	2.0
175.14845	50.2
181.10129	3.1
181.15900	9.3
183.11731	3.9
193.10194	3.6
193.12221	3.2
193.15891	28.9
211.11290	4.2
211.14880	2.2
211.16946	44.2
212.16527	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	211.1332
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03947	7.3
55.01879	8.6
55.05516	51.7
56.96558	1.1
57.03231	1.0
57.03449	11.8
57.07063	3.3
59.05001	2.6
62.73268	1.1
65.03938	3.0
67.05511	47.5
67.05871	2.4
69.03436	11.0
69.06713	1.6
69.07074	25.0
71.05002	11.0
71.08625	1.6
71.59067	1.0
75.62386	1.1
77.03901	1.1
77.29756	1.2
79.05500	40.0
80.54818	1.1
81.03425	100.0
81.07063	56.8
81.36755	1.1
83.04987	59.2
83.08626	37.8
85.02914	1.7
85.06554	9.9
87.04452	1.4
90.69543	0.9
91.05487	40.9
93.06458	2.4
93.07050	36.5
95.04977	38.0
95.08611	51.4
97.02901	5.8
97.06538	9.4
97.10183	11.8
99.04446	2.6
99.08086	4.5
100.87825	1.1
105.07038	32.3
107.04978	8.5
107.07865	1.4
107.08599	29.9
109.06520	16.1
109.10165	57.1
109.59089	1.0
111.04481	2.9
111.08094	25.7
113.06025	2.7
115.05416	1.7
116.06261	1.4
117.07040	2.4
118.79772	1.3
119.04943	1.8
119.08591	43.5
121.06516	2.7
121.10151	20.1
123.08081	26.5
123.11721	12.8
125.09613	9.8
127.07584	1.4
127.11192	1.2
128.06210	1.7
129.07016	16.1
131.08578	15.6
132.32806	1.0
133.06509	4.1
133.10139	36.4
135.10667	1.9
135.11702	33.5
137.06012	1.4
137.09631	40.7
137.13231	3.1
138.10379	3.2
139.11192	4.0
141.07001	5.1
142.07837	5.7
143.08606	2.7
145.10152	3.0
147.08063	4.6
147.11714	19.8
149.09642	6.7
149.13278	6.7
149.61296	1.0
151.11255	5.1
151.14824	7.0
153.06956	4.1
153.12744	2.3
154.07832	1.7
155.08571	9.7
157.10127	19.1
163.11186	1.5
163.14845	4.9
165.05577	1.2
165.07024	4.2
165.09088	1.1
165.12770	8.1
165.16383	2.7
166.07799	1.4
167.07033	3.4
167.08575	3.2
168.05672	1.9
168.09328	5.0
169.10152	14.2
175.11209	17.1
175.13484	1.6
175.14853	23.4
181.06514	5.5
181.10126	6.5
182.10951	2.0
183.08070	2.7
183.11703	10.0
188.05174	1.0
193.10283	4.4
193.12262	35.8
193.15897	16.6
195.08099	1.3
196.08833	11.9
196.12524	5.5
197.16695	1.2
211.05872	2.2
211.07610	7.1
211.11203	23.2
211.13257	13.8
211.14874	18.5
211.16965	10.5
212.11473	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	211.1331
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03939	3.9
55.01862	6.1
55.05512	24.1
56.71832	2.3
56.96578	2.7
57.03429	3.5
57.07071	5.9
59.05001	2.7
65.03941	4.8
66.62431	2.2
67.05169	3.6
67.05509	53.0
69.03436	17.1
69.07072	23.8
70.06599	4.3
71.04997	70.9
71.58875	2.3
79.05496	43.3
81.03431	11.4
81.07064	71.6
82.82669	1.8
83.04989	26.6
83.08619	10.6
85.02890	3.8
85.06548	21.7
87.04453	5.8
91.05483	72.7
91.71556	1.9
93.07050	39.4
95.04974	50.3
95.08613	42.3
97.02951	2.8
97.06526	14.9
98.97561	2.3
99.04459	5.5
99.08096	16.3
101.05953	2.1
102.36670	1.9
103.05431	3.2
105.07033	50.8
107.04974	7.2
107.08595	36.9
108.08937	2.6
109.02892	3.6
109.06544	13.0
109.10165	32.5
111.04453	4.6
111.08075	8.4
113.06007	2.7
115.05453	3.0
117.07044	2.1
119.04941	5.0
119.07782	3.9
119.08592	46.6
121.02862	2.2
121.06496	6.0
121.09357	3.3
121.10130	16.6
123.04449	9.1
123.08072	9.5
123.10863	2.5
123.11717	8.6
125.05981	8.4
125.09641	20.7
127.07578	3.3
129.07011	8.2
131.08591	18.0
133.06516	14.4
133.09375	4.8
133.10146	100.0
135.08095	2.5
135.11699	27.9
137.05963	8.4
137.09619	17.6
138.05531	3.0
139.03789	2.4
141.05501	2.4
141.06998	2.5
142.07802	3.0
145.10135	5.6
147.04422	2.5
147.08095	13.1
147.10696	2.3
147.11717	25.1
149.06018	4.0
149.09641	14.6
149.13293	4.2
151.07565	8.3
151.10300	4.2
151.11209	66.1
152.11525	2.0
153.05334	1.9
153.07072	3.1
155.07031	2.7
155.08514	8.4
155.10678	6.4
157.10103	11.9
163.14830	18.3
163.97714	2.7
165.07028	2.3
165.09146	5.7
165.12791	8.1
166.07715	2.3
167.07059	18.2
167.08470	4.6
168.09407	7.2
169.10117	4.1
169.12213	6.2
175.11206	29.1
175.14832	17.7
178.07747	3.5
179.37003	2.0
181.06476	3.7
181.10123	8.3
182.30138	2.1
183.06493	2.9
183.08029	3.5
183.11722	8.1
184.09747	3.4
185.01062	1.9
193.08578	4.8
193.10165	7.9
193.12257	48.6
193.15950	14.4
196.08864	4.5
211.05936	5.7
211.07571	3.7
211.11298	15.6
211.12997	15.3
211.14912	3.6
211.16745	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03939	6.5
54.20567	1.2
55.01877	10.8
55.05261	1.9
55.05514	30.6
57.03446	6.4
57.07071	6.3
59.05001	2.7
61.28020	1.2
62.22776	1.3
64.03739	1.2
65.03943	2.5
65.56423	1.2
67.05511	41.4
69.03439	13.6
69.07072	47.2
69.52768	1.2
70.06570	1.6
71.04996	29.9
71.58878	1.7
73.06553	1.9
79.05497	37.5
81.03423	24.4
81.07059	100.0
83.04984	38.5
83.05454	2.8
83.08627	13.5
84.08130	1.5
85.06537	18.4
91.05484	35.6
93.07047	91.0
95.04353	2.5
95.04972	49.5
95.08610	69.1
96.05325	1.7
97.02883	2.8
97.06532	66.5
97.10172	3.3
98.06033	1.9
98.40457	1.4
99.04458	20.4
99.08095	6.6
99.25250	1.4
101.06024	3.2
101.57008	1.2
105.07036	96.5
107.04959	4.8
107.08598	72.1
109.06528	20.6
109.09451	2.5
109.10159	30.8
111.04458	4.3
111.08083	46.4
113.06020	10.7
115.07581	2.8
117.07052	4.9
119.06133	1.6
119.08586	46.3
121.06522	9.9
121.10156	23.0
123.04472	2.2
123.08062	10.0
123.11718	41.5
125.06009	2.3
125.09633	7.4
127.07567	4.0
129.07013	5.2
131.08621	7.3
133.06494	4.2
133.10133	64.5
135.08064	17.2
135.11694	31.6
137.05994	2.7
137.09599	4.3
137.13242	4.6
139.07544	2.3
141.06926	1.5
142.07822	7.9
145.06488	1.4
145.10117	2.2
147.08044	2.8
147.11693	81.5
149.09630	11.6
149.13251	6.4
151.07552	4.5
151.11189	35.8
153.12782	2.0
155.08647	2.0
157.10146	14.9
163.14827	31.7
165.01813	2.5
165.05510	1.5
165.12755	35.1
167.07088	9.5
168.09367	2.8
169.10106	2.4
169.10721	2.1
169.12248	44.5
175.11195	38.9
175.14816	9.9
180.04115	1.6
181.10077	2.0
183.11673	2.2
193.10400	2.7
193.12244	40.1
193.15881	5.4
211.05847	2.0
211.07576	2.7
211.11284	4.4
211.13303	25.0
211.14897	2.8
211.16969	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	211.0967
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03947	3.8
55.01878	10.0
55.05502	2.6
55.33826	0.8
56.96568	1.6
57.03429	2.9
57.07077	1.8
58.95441	0.8
59.04989	0.8
65.03947	5.1
66.59422	0.8
67.05512	7.6
69.03429	2.8
69.07065	3.1
70.06596	1.3
71.04991	2.5
71.19559	1.4
78.04704	3.2
79.05495	17.1
80.03438	0.8
80.06256	1.0
81.03410	2.5
81.07062	9.1
83.04980	2.1
83.08646	1.0
84.08167	0.9
85.02898	2.9
85.06549	1.2
90.04745	0.9
91.05488	92.9
92.05765	1.4
92.21554	0.8
93.07057	11.3
94.04194	1.5
95.04977	12.2
95.08628	4.9
97.02914	1.2
97.06525	1.7
98.06124	0.8
98.97574	1.0
99.08085	1.5
103.05473	12.5
105.03396	16.6
105.04494	1.1
105.06371	1.7
105.07042	21.1
106.04243	1.5
106.07336	1.3
107.04966	36.4
107.08583	4.1
108.05753	4.3
109.02897	1.6
109.05315	0.9
109.06522	23.8
109.10157	4.6
110.06055	4.3
111.04371	1.4
115.05385	1.9
115.39129	0.8
118.04195	4.4
119.04951	100.0
119.08574	4.7
121.06514	27.4
121.10162	2.1
122.03635	1.0
122.07289	1.2
123.04449	8.1
123.08076	13.4
124.05178	2.0
125.05997	1.7
127.03960	0.9
131.08626	1.2
133.02759	1.2
133.06502	13.5
133.10100	2.2
134.03639	15.4
135.04434	1.6
135.08044	4.0
135.11667	1.7
136.05217	1.6
137.04921	1.1
137.05980	8.6
137.09596	2.6
137.40620	1.0
138.05490	2.4
141.05438	0.9
146.95416	0.8
147.04414	17.4
147.08064	2.8
147.11713	1.3
148.03934	3.9
149.05991	31.5
150.06454	1.0
151.03917	3.1
151.07553	49.6
152.04637	1.3
153.05418	1.9
153.06935	1.6
155.08575	3.6
157.10100	2.8
161.05988	6.1
163.07706	1.2
163.97716	1.4
165.05490	2.2
165.06985	1.4
165.09131	3.0
165.12701	1.3
166.05019	5.7
166.06300	2.5
166.07576	0.9
167.07071	38.9
167.08533	2.6
168.07353	5.5
168.09363	3.6
175.11037	0.9
175.14815	1.0
179.07060	14.5
180.07790	1.1
181.06639	0.9
181.08575	6.8
181.10155	4.1
182.09006	1.1
183.06534	1.6
183.09798	2.5
183.11729	3.1
193.08556	2.2
193.10164	5.4
193.12163	2.0
196.07274	1.1
200.14014	0.9
205.98882	1.4
211.05995	1.6
211.07729	1.5
211.09590	19.7
211.11302	3.2
211.14868	1.1
211.16805	1.5
212.05516	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	4.7
55.01875	11.9
55.05513	80.8
57.03425	5.5
57.07059	3.2
59.04999	5.4
65.45119	1.5
67.05509	25.0
69.03435	12.2
69.07064	16.3
70.45109	5.1
71.04997	23.0
71.97440	1.8
73.46287	1.4
77.03934	2.1
79.05495	45.1
81.07068	21.8
83.04984	100.0
83.08624	42.7
85.06549	6.7
87.04478	2.7
91.05488	28.6
93.03405	1.6
93.07047	54.4
95.04974	68.3
95.08602	10.4
97.06527	14.7
97.10195	7.9
99.04463	12.1
99.08088	3.3
103.05475	3.4
105.07030	29.8
106.04176	2.8
107.04955	25.7
107.08597	73.1
109.06538	12.4
109.10160	25.8
111.04452	6.6
111.08080	14.0
116.06268	2.1
117.07044	7.5
119.08596	16.1
119.99684	1.7
121.06527	25.0
121.10148	91.3
121.94289	1.6
123.04458	4.9
123.08086	5.3
123.11715	14.7
125.06028	8.8
125.09625	16.7
129.07034	4.9
129.21729	1.7
130.07854	4.7
131.04985	1.5
131.08568	74.4
133.10143	12.7
135.08063	7.0
135.11676	8.5
137.05998	1.7
137.09683	2.3
141.05412	2.1
145.06522	2.4
145.10136	39.5
147.08087	7.8
147.11685	2.4
149.06026	11.4
149.09627	90.9
149.13242	9.7
151.07539	2.2
151.11189	36.5
153.05502	6.4
153.09114	13.9
155.08615	2.4
161.13246	1.6
163.07599	6.9
163.11200	31.7
163.14827	15.7
165.09100	14.3
167.07095	4.6
167.10674	11.0
167.14319	68.1
173.09622	8.4
173.13274	7.7
177.05498	1.9
191.10684	46.4
191.14316	11.5
209.11784	57.2
209.15352	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.8
55.01863	7.5
55.05511	33.5
57.03435	1.9
57.07064	2.7
59.04987	3.5
65.03915	1.3
67.05511	7.5
69.03429	15.4
69.07062	9.6
70.06588	2.1
70.83186	2.6
71.04995	5.7
71.05331	0.9
79.05496	14.9
81.03423	1.0
81.07054	12.1
83.04984	40.9
83.08140	1.8
83.08624	20.3
85.06538	3.1
89.03954	1.0
91.05483	11.4
93.07044	32.5
95.04973	37.3
95.08608	8.6
97.06533	6.3
97.10155	4.0
98.20779	1.1
99.04449	7.6
99.08062	1.8
103.05447	2.6
105.07026	8.7
106.04180	2.1
107.04939	3.4
107.08598	40.0
109.06523	12.8
109.10152	10.9
111.04434	2.3
111.08068	5.5
113.06075	1.3
115.07629	1.1
117.07038	1.2
119.05071	1.0
119.08567	6.8
121.02847	1.1
121.06530	6.4
121.10147	100.0
123.08050	4.5
123.11709	5.0
125.05980	1.9
125.09636	9.4
131.04927	2.1
131.08595	8.9
133.10123	6.5
135.04410	2.0
135.08054	4.6
135.11708	4.6
137.05989	1.2
137.09613	1.7
145.02835	1.3
145.10117	5.0
146.05940	1.5
147.11679	2.7
149.05962	4.7
149.09634	9.2
149.13239	4.7
151.11180	19.8
153.05476	2.1
153.09128	11.2
158.10997	1.2
163.03868	2.9
163.07497	1.4
163.11174	3.8
163.14830	16.3
165.09088	1.1
165.12656	1.4
167.12993	2.0
167.14331	29.7
167.47015	0.9
173.13347	5.9
177.05486	5.6
178.06242	2.8
179.03400	1.8
181.04942	1.1
181.08556	2.3
191.06975	1.4
191.10646	3.1
191.14294	14.7
194.02206	1.6
194.05730	3.6
209.04446	2.8
209.08072	4.5
209.09819	2.1
209.11618	5.5
209.15361	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	6.0
55.01875	13.4
55.05511	25.2
57.03427	3.5
57.07074	5.0
59.04996	4.1
65.03934	7.5
67.05492	17.5
69.03434	14.4
69.07071	18.5
70.88034	7.6
71.05011	19.7
75.04470	3.6
78.04745	2.5
79.05493	27.6
81.03413	3.3
81.07056	37.4
83.01359	23.5
83.04992	21.2
83.08607	11.3
85.02905	4.7
85.06544	16.2
89.03855	6.1
91.05476	35.6
91.82217	2.5
93.03400	9.6
93.07050	51.2
95.04977	22.1
95.08613	36.7
97.06534	23.3
97.10151	4.1
99.04460	34.9
99.08102	26.9
101.06007	8.0
103.05472	8.0
105.07038	48.7
106.04192	22.7
107.04946	8.5
107.08598	53.4
109.06522	26.0
109.10158	29.0
111.04385	3.9
111.08099	18.7
117.03438	3.9
117.07015	4.8
119.04961	3.5
119.08598	34.8
121.06526	37.8
121.10149	46.2
123.08080	16.6
123.11698	10.0
125.05959	13.9
125.09641	26.2
131.08569	32.9
133.10132	58.2
134.03621	6.1
135.08052	14.8
135.11702	6.6
137.09628	7.3
139.07526	24.7
139.11174	7.9
143.08549	4.0
145.02849	3.9
145.10126	15.5
147.11668	8.9
148.05244	3.5
149.02473	2.8
149.05995	34.3
149.09630	73.7
149.13283	19.5
151.11195	97.4
153.09085	25.0
158.10977	3.7
161.13274	19.7
163.07455	2.7
163.11186	6.5
163.14847	17.1
165.12764	6.7
167.10661	4.3
167.14240	4.0
171.11639	2.9
173.13275	31.5
177.05502	13.3
179.14348	4.2
181.08620	5.7
181.15863	7.8
191.07086	5.5
191.10626	3.1
191.14322	39.8
209.04478	4.2
209.08072	8.5
209.11870	4.8
209.15379	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	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05597	3.0
51.02371	3.7
53.03938	9.9
55.01871	30.7
55.05512	28.7
57.03459	3.5
57.07080	4.6
59.05008	3.3
65.03946	19.1
65.42401	3.1
67.05511	47.3
69.03427	13.4
69.07083	25.5
71.04991	16.5
71.59089	4.0
75.04483	11.5
77.03924	3.6
78.04708	10.6
79.05493	53.3
80.42146	4.0
81.03381	4.3
81.07059	58.1
83.04987	25.8
83.08613	10.6
85.02905	10.3
85.06524	9.8
89.03924	7.8
89.06041	4.0
91.05481	76.8
92.76404	3.2
93.03411	31.2
93.07047	74.7
95.04971	55.8
95.08607	82.4
97.06552	20.0
103.05476	28.6
105.03464	4.3
105.04539	4.8
105.07032	34.2
106.04174	80.1
107.04977	25.9
107.08601	86.9
109.06543	27.7
109.10163	29.0
111.04430	6.0
111.08091	6.0
117.03386	4.9
117.07027	12.3
119.04930	7.8
119.08600	19.3
121.02879	4.8
121.06514	100.0
121.10146	55.8
122.07297	6.1
123.04416	6.0
123.08064	10.9
123.11696	10.2
125.05994	26.9
125.09629	9.2
129.06978	3.4
130.07809	4.4
131.04918	8.9
131.08565	50.9
133.10138	64.5
134.03659	15.0
135.04416	10.4
135.08064	37.5
135.11679	13.2
137.05991	11.3
137.09621	57.6
138.06775	3.8
139.07535	8.8
145.02826	7.5
145.10133	33.8
147.04399	5.6
147.08093	4.9
147.11693	11.5
148.05159	7.4
149.05980	97.5
149.09631	67.2
149.13257	44.5
151.07521	5.7
151.11179	12.3
153.05484	14.0
153.09113	26.0
163.03876	6.9
163.07558	12.3
163.11229	32.3
163.14812	14.3
165.06865	4.0
165.09116	8.3
165.12712	18.2
167.08607	4.6
167.10709	5.8
167.14285	7.2
173.09605	7.7
173.13281	16.8
176.04758	5.1
177.05475	53.5
177.06984	2.3
179.08516	5.0
181.08662	20.0
181.10074	5.8
191.06987	10.1
191.10657	32.2
191.14345	28.4
194.02174	3.8
194.10957	5.8
209.04318	9.1
209.06400	4.1
209.08070	21.9
209.09761	7.6
209.11627	41.0
209.13290	5.2
209.15292	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	4.8
55.01874	16.2
55.05518	20.9
57.03442	4.5
57.07073	3.4
65.03925	8.0
67.05498	26.2
69.03433	10.6
69.07068	21.1
71.05022	22.4
77.03932	3.4
79.05494	54.8
81.07058	39.1
83.04991	19.3
83.08617	5.3
85.02900	5.0
85.06557	5.5
91.05489	41.6
93.03416	5.7
93.07059	65.1
95.04982	38.8
95.08620	24.4
97.06558	15.5
97.69929	2.8
98.46491	2.6
99.04465	7.9
103.05450	5.4
105.07033	40.0
106.04177	22.0
107.04963	31.7
107.08602	100.0
109.06535	26.8
109.10159	16.3
111.04426	4.2
111.08107	6.7
115.05443	3.4
117.07038	14.4
119.08602	26.6
121.06514	47.8
121.10152	61.6
122.07291	9.4
123.04386	4.6
123.08062	17.8
123.11718	5.6
125.05999	17.1
125.09636	8.2
129.06984	5.6
131.04936	3.7
131.08580	82.2
133.10146	74.1
134.03639	3.0
135.04395	3.5
135.08064	31.0
135.11656	14.2
137.06024	3.9
137.09621	59.3
139.07535	6.0
141.05421	2.8
145.02888	3.7
145.06497	3.0
145.10165	41.6
147.08058	6.4
147.11711	9.3
148.05161	3.2
149.05992	29.2
149.09639	84.5
149.13243	20.3
151.11191	26.7
153.05479	8.6
153.09102	11.1
162.44641	2.9
163.03946	3.4
163.07573	12.2
163.11182	33.5
163.14824	8.4
165.09149	17.3
165.12787	9.2
167.07056	6.6
167.10678	12.8
167.14313	7.3
173.09671	9.7
173.13274	13.8
177.05513	15.4
179.08467	3.8
181.08600	6.0
181.10132	3.6
191.10710	49.7
191.12413	5.2
191.14294	28.0
209.08098	11.0
209.11734	56.1
209.13309	3.6
209.15309	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	4.3
55.01877	8.1
55.05511	75.0
55.19871	1.7
57.03428	6.1
57.07069	2.7
59.04996	4.0
59.14219	1.9
65.03929	2.6
67.05506	24.4
69.03432	14.5
69.07069	21.0
69.70275	3.6
69.70686	6.5
71.04993	21.6
72.93863	1.7
79.05496	48.9
81.03425	2.9
81.07059	22.1
83.04985	100.0
83.08624	33.4
85.06544	7.8
91.05480	31.4
93.07046	58.6
95.04357	3.1
95.04973	63.6
95.08616	15.0
97.06538	14.4
97.10172	8.8
99.04442	11.6
103.05482	3.2
105.07029	27.5
105.73577	1.5
106.04173	4.5
107.04961	27.7
107.08598	78.4
108.13397	2.0
109.06522	15.1
109.10164	23.9
111.04468	4.1
111.08062	12.5
113.09669	2.1
117.07026	10.0
119.08584	14.9
121.06513	27.6
121.10149	84.7
123.04442	3.9
123.08053	7.3
123.11707	14.1
125.06008	12.7
125.09634	15.9
129.07022	7.9
130.07780	3.9
131.04973	1.8
131.08578	79.0
133.10121	12.4
135.04437	3.3
135.08063	6.6
135.11717	10.3
137.05936	1.9
137.09674	2.3
139.07581	4.5
139.11110	1.7
143.08499	1.9
145.06474	4.6
145.10130	41.4
147.08031	7.9
147.11691	4.6
149.05991	6.9
149.09627	93.7
149.13269	6.8
151.11198	44.6
153.05466	7.4
153.09120	15.9
155.07111	1.7
155.08583	3.1
163.07603	5.6
163.11188	30.7
163.14813	12.8
165.09119	14.7
166.52135	1.7
167.07060	5.3
167.10657	10.1
167.14323	64.2
173.09633	8.1
173.13310	7.6
174.83340	1.6
177.05508	5.0
179.10728	2.1
186.79350	1.6
189.57922	1.5
191.10681	47.7
191.14325	10.1
209.08148	3.4
209.09755	3.7
209.11737	59.4
209.15335	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.48567	1.5
53.03934	1.8
55.01862	2.1
55.05505	6.8
57.07068	2.2
67.05494	5.4
67.83366	1.5
69.03420	6.3
69.03767	1.4
69.07070	7.7
69.77274	9.2
71.04989	4.0
74.70724	1.5
79.05490	12.3
81.07059	17.6
81.74622	1.6
83.04980	4.4
83.08646	2.3
88.73476	1.7
91.05495	14.6
93.03337	1.6
93.07040	10.0
95.04967	5.0
95.08619	3.8
97.06499	3.3
105.07034	14.8
107.04980	2.8
107.08598	36.1
107.28259	1.4
109.06525	15.5
109.10130	9.8
115.05444	4.5
117.07045	5.4
119.08578	5.7
121.02889	2.0
121.06512	7.2
121.10156	24.6
122.07283	6.1
123.08082	4.0
123.11685	1.7
131.08577	9.4
133.10143	100.0
135.08057	24.6
135.11700	2.7
137.09627	80.7
145.10121	5.7
147.11679	3.4
149.05966	3.8
149.09607	7.2
149.13281	14.7
151.11153	1.5
153.09142	1.8
158.10818	1.8
163.11176	4.5
163.14848	4.2
169.44447	1.6
173.13257	7.5
177.01775	3.3
177.05521	1.5
190.44406	1.9
191.10715	4.5
191.14305	7.1
209.11720	4.7
209.15460	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03942	3.0
55.01868	3.8
55.05513	72.2
57.03432	3.0
57.07072	2.3
59.04992	4.4
67.05507	11.4
69.03431	9.5
69.07073	7.5
70.92136	2.2
70.92480	1.9
71.04989	5.1
73.44138	1.1
74.82865	1.0
79.05492	10.7
80.00877	1.0
81.07059	16.9
83.04987	100.0
83.08622	39.8
85.06541	3.1
87.24071	1.3
91.05483	5.5
93.07046	13.2
95.04971	18.0
95.08618	8.3
97.06529	12.7
97.10172	9.9
99.04470	2.9
99.08109	2.2
103.05434	1.1
105.07040	8.8
107.05000	2.8
107.08599	26.7
109.06535	28.3
109.10155	23.9
111.04430	1.7
111.08076	11.2
112.02549	1.2
112.08934	1.1
116.49126	1.1
117.07057	1.8
119.08620	4.1
121.06521	4.4
121.10149	15.7
123.08114	1.4
123.11710	12.8
125.06004	2.1
125.09644	16.7
131.08578	12.3
133.10132	12.0
135.07024	1.3
135.08060	4.4
135.11717	1.4
145.10126	6.3
147.08051	1.4
149.09628	15.3
149.13252	9.1
151.11191	41.4
151.74797	1.2
153.05486	1.4
153.09106	12.8
163.11174	5.3
163.14882	2.3
165.09119	2.4
167.14322	72.7
168.14763	1.2
173.13275	5.1
187.03810	1.2
191.10672	7.0
191.14311	6.2
209.11823	8.8
209.15376	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	6.4
55.01876	16.6
55.05514	20.6
56.97114	2.2
57.03437	2.9
57.07076	5.6
65.03936	10.6
67.05506	27.2
69.03439	12.5
69.07053	16.2
71.04990	7.3
71.58713	2.3
71.59116	2.2
72.67760	2.1
75.04478	9.7
78.04718	8.3
79.05499	30.5
81.03413	4.5
81.07061	48.3
83.04976	11.3
83.08619	5.8
85.02905	8.6
85.06546	6.5
89.03919	7.2
91.05482	46.9
93.03412	19.2
93.07052	47.2
95.04975	27.4
95.08610	63.5
97.06544	14.8
99.04423	4.5
99.08101	2.3
101.06024	3.9
103.05470	17.7
105.04501	2.5
105.07038	16.9
106.04173	59.0
106.04869	4.2
107.04984	12.3
107.08598	60.3
109.06517	22.6
109.10176	22.5
111.04464	3.1
111.08068	3.4
115.05453	4.3
117.03367	4.1
117.07025	8.9
118.04189	2.9
119.04913	3.5
119.08586	11.1
121.02885	2.2
121.06515	58.3
121.10139	30.2
122.07349	11.6
122.08092	1.9
123.04410	4.3
123.08099	9.2
123.11716	2.3
125.05996	13.5
125.09621	9.4
131.04886	5.4
131.08577	20.7
133.10133	100.0
134.03593	10.9
135.04446	4.6
135.08055	28.5
135.11705	9.2
137.05983	7.0
137.09624	83.8
139.07558	6.6
143.08598	2.5
145.02879	5.9
145.10129	12.7
147.11681	10.8
148.05212	6.4
149.05986	68.4
149.09642	23.4
149.13278	41.4
151.07570	2.9
151.11171	13.9
153.05486	8.7
153.09142	14.9
163.03957	4.4
163.07556	8.7
163.11171	13.7
163.14857	8.8
165.12735	14.3
166.06227	3.0
167.07028	3.7
167.14351	6.3
173.13268	15.1
177.05482	28.9
179.08446	2.6
181.08629	16.1
181.10059	3.8
191.06972	5.9
191.10683	7.4
191.14304	26.3
209.04466	4.6
209.08029	12.7
209.09848	3.1
209.11562	12.5
209.13385	3.9
209.15326	34.5
210.94969	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.55557	1.8
53.03951	4.8
55.01879	11.6
55.05513	100.0
57.03423	2.6
57.07068	5.4
59.05003	5.1
59.08721	2.0
65.03928	4.6
67.05520	13.7
69.03426	10.0
69.07066	9.0
69.40422	17.0
71.04997	10.4
79.05493	16.1
81.03382	1.8
81.07069	16.8
82.06573	12.3
83.04987	77.9
83.08627	51.2
84.08140	2.8
85.06552	5.8
91.05473	13.0
93.03398	4.2
93.07047	20.7
95.04973	89.7
95.08604	9.1
97.06544	9.4
97.10163	7.2
99.04474	15.1
99.08096	2.6
100.07612	3.4
100.11258	31.8
103.05470	5.9
105.07030	12.4
106.04159	8.4
107.04955	8.0
107.08601	38.6
109.06538	10.2
109.10185	19.3
110.06034	5.5
111.04445	6.8
111.08098	11.8
113.09655	3.0
118.11630	1.9
119.08600	4.6
121.06508	16.4
121.10153	25.0
123.08039	3.4
123.11698	11.7
125.05976	4.0
125.09642	13.7
128.07098	2.4
129.03922	2.1
131.08591	14.3
133.10149	14.0
134.03639	2.3
135.04370	2.5
135.08051	6.4
135.11688	3.8
137.06013	2.3
137.09616	6.5
139.07669	2.3
139.08664	4.9
145.10124	6.4
148.71663	1.9
149.05991	17.9
149.09619	16.2
149.13216	9.2
151.07613	2.7
151.11186	37.8
153.05440	4.3
153.09120	21.4
163.03792	3.0
163.07542	3.7
163.11116	9.4
163.14816	4.7
165.05464	2.5
165.09106	1.9
165.12759	8.8
167.10690	2.3
167.14319	74.8
173.09705	2.1
173.13226	4.6
177.01912	2.7
177.05518	10.5
179.08546	5.0
181.04922	2.3
181.08665	4.1
181.10129	2.4
182.15419	19.1
191.06914	2.6
191.10632	7.9
191.14319	7.0
194.02252	2.0
194.10934	5.1
203.79266	1.7
209.04428	2.2
209.08047	6.0
209.09868	4.0
209.11565	9.9
209.13324	7.9
209.15396	29.9
210.14928	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	5.3
53.56417	2.8
55.01874	17.1
55.05295	3.0
55.05516	33.4
57.03434	10.3
57.07065	7.9
59.04984	4.0
65.03951	7.7
67.05510	26.3
68.99780	3.3
69.03436	16.3
69.07059	15.3
69.33392	27.6
71.04982	18.5
78.04734	3.4
79.05497	28.1
81.03400	4.8
81.07061	45.3
82.53955	3.0
83.01368	20.4
83.04998	31.3
83.08622	16.7
85.02918	3.7
85.06542	14.9
87.47632	2.5
89.03915	5.8
91.05489	34.6
93.03395	8.0
93.07054	52.1
95.04974	69.1
95.08609	33.1
97.06539	39.0
98.90298	3.0
98.97570	5.2
99.04465	24.7
99.08096	17.2
101.06033	4.8
103.05482	8.4
105.07034	43.9
106.04171	23.4
107.04961	9.6
107.08609	82.4
109.06530	58.6
109.10162	38.8
111.04488	4.9
111.08083	18.1
117.03353	2.7
117.07017	6.9
119.08591	26.5
119.38251	2.8
121.02856	12.4
121.06534	30.4
121.10153	44.6
123.04420	4.9
123.08079	20.9
123.11708	11.4
125.06021	7.8
125.09628	23.9
127.07510	3.7
131.08572	35.9
133.10146	55.3
134.03648	5.0
135.04411	6.4
135.08040	23.2
135.11711	13.8
137.05960	6.5
137.09610	8.2
139.07552	15.0
139.11166	10.0
143.08560	4.4
145.02881	4.0
145.10138	17.2
147.08015	4.9
147.11691	25.5
149.02301	6.8
149.06000	23.2
149.09630	36.7
149.13258	27.3
151.11197	73.4
153.05527	7.0
153.09120	38.2
158.10971	3.1
161.13261	12.7
163.03842	7.2
163.07500	3.6
163.11185	9.7
163.14833	23.1
165.12810	3.7
167.10735	3.0
167.14345	13.5
170.88750	3.0
173.13286	42.7
174.76979	2.9
177.01855	12.2
177.05470	18.0
179.08531	3.9
181.04977	5.6
181.08627	5.3
181.15819	6.0
191.07085	4.1
191.10721	7.8
191.12663	5.5
191.14340	96.2
209.04442	13.4
209.08102	7.8
209.11583	6.9
209.15385	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	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02370	2.1
53.03941	4.4
55.01872	12.2
55.05511	12.7
57.03430	7.2
57.07056	2.8
65.03928	4.0
67.05229	1.3
67.05513	17.2
69.03439	10.7
69.06717	2.8
69.07072	32.4
71.04999	26.8
71.20209	3.0
79.05498	61.7
81.03417	3.3
81.07060	29.2
83.04993	15.3
83.08614	4.6
85.06512	1.8
91.04962	2.4
91.05487	33.0
93.03396	2.9
93.07050	59.2
95.04971	20.5
95.08593	6.7
97.06533	17.4
99.04474	3.2
103.05452	4.6
105.07034	41.8
106.04166	4.3
107.04961	28.7
107.08599	91.7
109.06528	27.2
109.10165	11.7
111.04433	5.6
111.08074	4.4
115.05446	6.8
116.06212	1.6
117.07027	13.8
119.08601	14.3
121.02843	4.7
121.06514	54.5
121.10151	56.6
121.11028	2.7
122.07322	3.9
123.08076	9.3
125.06003	10.5
125.09608	4.1
129.07013	3.3
130.07774	5.2
131.04897	2.0
131.08572	100.0
133.06491	1.6
133.10143	70.7
135.04425	6.7
135.08078	23.1
135.11708	12.1
137.06061	2.4
137.09628	55.7
139.07541	5.7
141.05461	4.9
145.06474	1.7
145.10138	42.8
145.11276	2.4
147.08072	5.7
147.11690	6.7
149.02330	4.2
149.05991	11.7
149.09628	87.5
149.13264	10.4
151.07532	3.4
151.11176	5.6
153.05481	19.1
153.09109	6.2
163.03871	2.8
163.11197	37.8
163.14809	2.0
165.09099	3.8
165.12787	2.0
167.07088	8.4
167.08353	1.8
167.10710	6.3
167.14403	2.3
173.09563	3.4
173.13257	6.1
177.01836	7.3
177.05482	5.3
181.04881	1.7
191.07021	1.9
191.10681	33.7
191.14270	10.5
200.81009	1.5
209.04335	1.8
209.08260	3.6
209.11745	60.5
209.15089	10.4
217.87590	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03939	2.5
55.01870	7.8
55.05262	1.7
55.05515	24.2
57.03423	3.2
57.07072	1.8
65.03938	1.7
67.05173	1.2
67.05508	18.9
69.03422	3.9
69.06760	1.2
69.07073	11.9
69.68901	2.7
69.69311	3.7
71.04997	17.0
77.03930	1.3
79.05497	38.7
81.03419	2.4
81.07065	13.0
83.04984	34.5
83.08617	9.5
85.06533	4.9
90.27633	1.2
91.05483	21.8
93.03403	1.4
93.07048	40.2
95.04980	26.4
95.08614	9.0
97.06536	8.7
97.10191	2.0
99.04453	3.7
99.08090	1.8
103.05454	2.5
105.04488	2.1
105.07038	27.1
106.04156	1.3
107.04968	27.3
107.08600	54.0
107.19052	1.1
109.06507	8.4
109.10168	7.9
111.04472	6.0
111.08086	3.6
115.05472	1.1
116.06239	1.7
117.07021	9.6
119.08597	14.8
121.06514	26.1
121.10155	43.9
123.04462	3.0
123.08073	4.9
123.11703	3.1
125.06012	10.3
125.09636	4.3
129.07016	5.9
130.07794	2.2
131.08577	74.2
133.10139	5.6
135.04367	2.5
135.08037	4.6
135.11696	11.7
139.07512	3.0
143.07114	1.0
145.06508	2.6
145.10133	40.5
145.11288	2.1
147.08023	7.3
147.11682	2.9
149.06033	5.2
149.09628	100.0
149.13268	3.3
151.11180	8.3
153.05464	5.7
153.09105	3.7
155.08533	1.4
161.13254	2.0
163.07530	5.7
163.11209	28.9
163.14868	5.3
165.09111	18.3
167.07071	3.9
167.10693	11.2
167.14331	19.7
173.09627	10.3
173.13266	7.4
190.83559	1.0
191.10684	49.8
191.14287	7.3
202.65005	1.1
209.11745	57.9
209.15331	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03943	4.7
53.26706	1.2
55.01862	9.1
55.05264	2.2
55.05515	39.4
57.03433	3.6
57.07072	2.2
59.04985	2.5
60.36045	1.1
61.59484	1.0
65.03947	2.6
67.05508	22.5
69.03424	4.8
69.07070	16.5
69.84535	6.0
71.04995	22.0
71.05916	1.1
75.22809	1.1
79.05496	47.7
81.03413	2.2
81.07056	17.6
83.04987	56.9
83.08625	20.8
85.06539	5.2
91.04887	1.9
91.05479	31.2
92.01252	1.5
93.07050	42.5
95.04974	38.9
95.08615	12.3
97.06535	9.8
97.10174	3.9
99.04453	5.0
99.08097	1.9
103.05482	2.1
105.06381	2.0
105.07035	27.2
107.04961	30.1
107.08599	65.0
109.06525	9.6
109.10175	12.4
111.04466	6.4
111.08092	5.6
117.06998	8.7
119.08586	15.0
121.05655	1.5
121.06516	26.0
121.10147	58.6
123.04429	4.4
123.08074	5.4
123.11707	6.4
125.05998	12.6
125.09635	8.6
129.06985	6.8
130.07829	2.4
131.08574	82.2
132.08910	1.3
133.06496	1.5
133.10130	7.4
135.04456	2.0
135.08051	5.5
135.11700	12.8
137.05980	1.9
137.09639	1.6
139.07582	2.9
141.05481	2.4
145.10127	45.7
147.07983	7.5
147.11662	2.8
149.06027	6.3
149.09627	100.0
149.13257	4.9
151.07579	1.8
151.11200	20.5
153.05525	7.4
153.09088	7.1
155.08617	1.4
158.10933	2.0
161.13274	2.6
163.07516	7.2
163.11205	40.2
163.14801	7.0
165.09138	21.2
167.07069	3.6
167.10710	13.2
167.14325	28.9
173.09650	9.5
173.13284	6.1
177.05478	2.4
183.45007	1.2
191.08916	2.9
191.10674	58.7
191.14240	8.5
209.11758	66.5
209.15266	17.4
210.12033	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.65430	1.2
53.03956	1.8
55.01882	5.5
55.05495	4.3
57.03432	2.1
59.05407	1.3
67.05179	1.3
67.05510	16.5
69.03416	3.4
69.07079	9.1
70.91492	2.5
71.04995	17.1
79.05497	42.1
79.05961	2.0
81.03430	1.8
81.07069	6.2
83.04560	1.2
83.04990	9.0
85.06544	5.1
88.93616	1.3
91.04949	2.1
91.05483	20.8
93.07050	29.7
95.04964	14.2
95.08617	2.8
97.06517	6.5
99.04454	1.4
105.07042	22.2
107.04278	2.3
107.04957	29.1
107.08601	40.5
109.02884	1.5
109.06515	4.0
111.04447	6.5
117.07027	8.5
119.08589	14.9
121.06520	21.9
121.10152	26.0
123.04440	4.2
123.08107	1.7
125.05992	10.5
129.07010	5.7
130.07826	3.2
131.08577	76.2
135.04431	1.3
135.08067	3.9
135.11674	7.1
137.05963	1.7
139.07610	2.4
141.05487	1.7
145.06534	2.3
145.10129	39.6
147.08075	8.1
147.11743	2.2
149.05977	4.0
149.09624	100.0
153.05481	5.1
153.09105	1.7
163.07481	5.8
163.11191	31.2
165.09117	21.4
167.07021	3.2
167.10678	15.4
173.09637	9.6
174.86513	1.5
191.10677	58.4
192.11024	1.7
209.11748	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03949	1.5
55.05516	9.1
57.03438	2.9
57.07064	4.4
66.10523	1.3
67.05506	11.0
69.07071	10.8
79.05492	9.0
81.07061	18.2
82.07399	1.8
83.04980	2.2
83.08639	4.9
85.06538	5.7
91.05480	13.5
93.07055	30.9
94.07394	1.2
95.04993	1.5
95.08617	34.1
96.08990	1.8
97.06518	1.5
97.10135	1.2
105.07037	30.5
107.08607	62.2
108.08926	2.2
108.75266	1.4
109.06522	3.9
109.10177	15.5
111.08078	3.6
115.96457	3.6
116.97260	1.5
119.08598	45.1
121.06551	2.7
121.10142	11.6
122.10494	2.0
123.08064	9.9
123.11694	10.2
131.08562	3.0
133.10146	52.0
135.11710	100.0
136.12068	2.9
137.09616	11.5
137.13339	2.0
145.10167	2.8
146.10760	1.5
147.11703	34.6
149.09607	1.5
149.13263	10.0
150.13603	2.1
151.07591	1.4
151.11188	14.3
161.13348	8.0
163.11203	3.1
163.14828	10.4
165.12843	2.5
189.16406	83.4
190.16727	2.7
192.09349	2.6
207.11850	3.3
207.13882	5.1
207.17484	53.8
207.20313	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.00301	1.3
53.03957	1.6
55.04085	1.2
55.05510	7.7
57.03423	3.8
57.07059	4.2
67.05517	7.9
69.07072	9.3
69.91486	6.0
71.04980	1.6
71.86427	1.3
79.05500	8.4
81.07071	16.7
83.04984	3.1
83.08601	3.4
85.06542	3.5
91.05481	12.4
93.07053	28.5
95.04977	1.6
95.08048	2.0
95.08615	31.3
97.06517	1.2
98.21474	2.3
103.22471	1.1
105.07042	24.3
107.08604	62.5
109.06519	5.4
109.10165	14.7
111.08084	2.2
117.06974	1.5
119.08596	42.5
120.09380	1.6
121.10146	13.7
123.08084	7.9
123.11746	8.6
131.08569	2.5
133.10141	44.6
133.97458	1.3
135.11705	100.0
137.09607	8.7
145.10138	2.7
146.10921	2.1
147.11707	30.3
149.13290	10.4
151.11185	13.9
160.12463	2.4
161.13246	8.6
163.14838	12.1
165.12834	2.7
189.16397	86.2
190.16719	2.1
207.13702	3.5
207.17462	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
54.32980	2.0
55.01852	1.7
55.05513	11.3
57.07064	2.2
58.50222	1.8
67.05510	18.4
69.03445	4.2
69.07064	15.9
69.64895	5.8
69.65311	5.6
71.04993	1.9
75.74167	1.7
79.05492	18.2
81.03440	2.0
81.07068	38.1
82.78392	1.8
83.04980	2.3
83.08608	6.2
85.06530	2.3
91.05477	24.5
93.07053	46.5
95.04965	4.2
95.08613	49.6
97.06523	2.3
97.10144	2.3
98.21467	3.9
105.07036	45.6
107.08608	55.7
109.02904	2.8
109.06503	5.1
109.10166	20.4
110.10506	1.7
111.08090	6.2
115.96447	13.8
116.97218	4.5
117.07062	2.6
119.04939	2.2
119.08595	53.7
121.06499	5.6
121.10137	23.5
123.08080	10.8
123.11703	7.3
131.08575	7.5
133.06487	4.2
133.09224	3.2
133.10146	38.6
133.97502	9.5
135.11703	11.4
137.09625	5.7
145.10141	6.9
147.10635	3.0
147.11697	38.7
149.09593	4.9
149.13268	100.0
150.13600	2.6
151.07600	2.2
151.11191	3.4
159.11777	2.0
161.13293	15.0
163.11154	5.8
163.14807	4.0
165.12782	2.9
177.16409	2.8
189.05434	2.3
189.09030	2.7
189.12801	7.1
189.16400	57.4
192.09387	6.1
207.06511	6.9
207.08228	2.4
207.11708	9.5
207.13829	17.4
207.17458	44.0
207.20308	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	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03944	1.3
55.01873	2.3
55.05514	14.7
57.03438	1.5
57.07064	4.0
65.03963	1.9
67.05510	28.4
69.03434	4.6
69.07072	16.5
70.03482	4.0
70.03896	3.0
71.04996	3.2
79.05498	11.4
81.03423	2.4
81.07063	21.9
83.04990	5.1
83.08624	5.5
85.06564	2.4
91.05479	13.2
93.07056	23.3
95.04979	9.0
95.08614	100.0
96.08907	1.4
97.06561	3.0
97.10166	2.5
105.07033	26.7
107.08603	36.9
108.08912	1.9
109.06520	16.3
109.10156	15.3
111.08082	7.6
115.96469	5.5
116.97238	2.7
117.07009	3.2
119.04949	1.8
119.08586	56.4
120.08949	3.0
121.06552	3.5
121.10149	23.6
122.10475	1.4
123.08086	23.6
123.10938	1.8
123.11720	8.2
125.09603	1.6
127.07510	1.4
131.08614	3.7
133.06555	2.9
133.10138	41.4
133.97482	3.3
135.11720	11.2
137.05878	1.5
137.09619	9.0
137.13295	1.5
144.63557	1.4
145.10147	5.2
147.08127	1.6
147.11707	29.9
147.12801	2.6
149.09622	6.4
149.13290	8.1
151.07561	3.8
151.11218	6.2
159.11722	2.4
161.13307	10.8
163.11234	6.4
163.14908	7.3
164.11591	2.7
165.09079	2.0
165.11674	2.7
165.12936	3.1
171.11732	1.7
177.16447	3.1
189.12778	5.0
189.16403	64.2
192.09399	5.2
207.06566	4.9
207.10042	2.1
207.11752	6.6
207.13884	14.4
207.17503	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	207.1744
Annotation	(+)-trans-alpha-Irone
Peak:m/z	Relative Intensity
53.03961	1.1
55.05509	7.0
57.03432	0.6
57.07069	2.4
65.03936	1.2
67.05508	22.4
68.43410	0.5
69.03431	3.3
69.07072	10.6
71.04990	1.7
71.13663	1.1
79.05501	5.2
81.03430	1.2
81.07062	12.0
83.04979	2.7
83.08633	3.5
85.02864	0.6
85.06547	2.1
91.05483	6.2
93.07047	14.3
95.04977	5.4
95.08611	100.0
96.08939	1.3
97.06507	1.2
97.10184	0.7
105.07028	13.3
105.07671	1.0
107.08596	16.2
109.06524	15.2
109.10159	7.1
111.08086	2.5
115.96462	3.1
116.97236	1.0
117.07045	0.9
119.04969	0.8
119.08583	15.9
121.06524	2.3
121.10152	7.6
123.08071	9.4
123.11717	5.4
125.09660	0.7
131.08572	1.2
133.06500	1.1
133.10138	14.6
133.97487	1.6
135.11690	7.7
137.09604	3.8
137.13260	1.0
145.10117	2.1
147.04419	1.4
147.08110	1.0
147.11707	9.9
149.09628	2.6
149.13269	2.8
151.07526	1.4
151.11191	4.7
156.99083	0.7
159.11734	0.7
161.09639	0.7
161.13258	6.4
163.11211	2.5
163.14825	5.5
165.12758	1.9
171.11717	1.0
175.04088	0.8
177.16486	0.9
189.12811	1.7
189.16396	18.5
192.04094	0.6
192.09355	2.5
207.06435	3.2
207.09950	0.8
207.11691	3.4
207.13861	7.2
207.17455	25.0
207.19403	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02352	1.3
51.60190	0.8
53.03947	8.7
55.01854	1.8
55.05512	11.1
56.95449	0.8
57.03418	1.2
57.07072	1.0
65.02505	0.7
65.03921	1.8
67.05507	27.8
69.03406	3.2
69.07070	7.3
71.04974	3.4
71.58418	1.0
77.03914	0.9
79.05496	46.6
80.05803	1.2
81.03410	1.4
81.07063	27.5
83.04987	4.7
83.08620	4.0
85.02896	1.8
85.06535	3.7
91.05487	56.0
93.07048	100.0
95.04973	17.0
95.08053	1.2
95.08609	16.6
97.06498	2.9
97.10149	1.4
98.61029	0.8
103.05431	1.0
105.04512	2.4
105.07036	36.0
107.04929	1.9
107.08600	19.7
109.06528	6.5
109.10185	5.9
111.08075	1.9
115.05425	2.1
115.96453	4.1
116.97209	1.9
117.07034	5.8
119.04920	1.3
119.08588	26.8
121.06516	5.4
121.10164	6.1
123.08059	6.8
123.11666	2.4
127.07530	1.9
128.06221	1.3
129.07018	8.8
131.08554	2.7
133.06535	1.5
133.09242	1.1
133.10135	15.3
133.97487	1.8
135.08063	1.1
135.11700	11.9
137.09578	2.2
138.43565	0.8
143.08566	6.5
145.10110	9.4
147.04372	1.3
147.08012	3.5
147.11696	57.8
149.09575	3.1
149.13237	3.1
151.07513	2.8
151.11195	2.1
156.09312	1.8
159.07990	0.9
161.09669	4.7
161.12027	0.8
161.13269	13.1
162.05435	0.7
163.03893	1.1
163.11200	4.8
163.14774	2.6
165.09047	1.6
165.12756	0.9
171.11694	19.2
189.12762	14.3
189.16391	13.2
192.09296	1.9
207.06532	4.1
207.09894	0.8
207.11682	3.9
207.13774	25.3
207.17456	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	3.8
55.05521	14.9
59.04987	1.6
59.15833	0.9
61.12033	1.2
63.16356	0.9
67.05502	2.6
69.03082	1.9
69.03438	36.9
70.16685	1.7
70.17076	2.5
71.92969	1.0
79.01843	1.1
79.05490	7.5
81.07043	2.7
83.04973	3.5
91.05493	9.7
93.07066	8.5
95.04959	3.2
95.08601	7.7
103.05470	2.5
105.07037	14.8
107.04979	4.9
107.08620	7.3
108.05753	2.1
109.06513	5.9
109.10167	1.8
113.86343	1.0
115.05403	1.3
117.06998	2.6
119.04947	2.4
119.08577	10.3
121.06519	71.5
121.10161	5.9
123.08078	23.2
123.11655	1.2
129.06982	1.3
130.07780	1.7
131.08583	1.5
133.06509	34.2
133.10115	2.2
135.08063	10.5
135.11658	2.3
137.05899	1.2
137.09616	3.2
137.13264	1.3
143.08554	1.7
145.10164	3.2
147.04433	2.0
147.08032	3.1
147.11676	4.4
148.08875	1.4
149.09615	8.7
151.07544	7.8
156.09425	1.2
161.09715	1.6
161.13248	1.9
163.11200	100.0
164.10088	1.3
164.11485	2.1
165.12790	4.0
171.11659	1.6
174.10439	1.4
177.52943	1.1
179.07076	1.5
189.12767	9.5
198.23412	1.0
207.06424	2.6
207.10069	1.3
207.11948	1.4
207.13809	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05506	4.6
57.07080	2.5
59.05005	1.9
59.34919	1.0
65.03921	1.8
66.10732	0.9
67.05508	16.4
69.03414	4.1
69.07063	1.6
69.48319	8.1
69.48662	1.5
71.04977	2.5
78.15035	1.2
79.05500	5.5
81.07066	5.6
83.04978	4.2
85.06541	4.3
87.38195	1.0
91.05488	6.3
93.07052	11.4
95.04959	4.2
95.08614	64.0
97.06541	1.7
105.07047	15.2
107.04936	1.1
107.08609	18.0
109.06526	4.5
109.10175	2.8
113.06020	2.4
119.07771	1.9
119.08587	20.5
121.06504	4.4
121.10156	16.3
123.08083	42.1
123.11733	5.6
125.09677	1.2
131.08553	3.9
133.06480	3.4
133.10211	4.9
135.11723	1.8
137.09608	6.8
137.13229	1.9
139.07672	1.2
143.08591	2.5
143.64598	1.0
145.10120	3.0
147.08075	5.3
147.11713	13.0
149.09634	100.0
151.07513	1.6
151.14850	2.1
153.09152	1.1
156.09344	2.9
159.08054	2.2
159.11694	1.5
161.09627	2.3
161.13261	17.1
163.11205	2.2
165.09166	1.6
165.12798	11.3
171.11736	7.8
174.10429	4.5
179.14322	2.0
180.18558	1.2
189.12767	29.8
202.98172	1.3
207.13821	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03953	1.8
54.01025	0.9
55.01872	1.0
55.05517	14.4
58.66197	0.8
67.05503	2.2
69.03433	28.8
69.03809	1.5
69.44185	6.9
74.30598	0.8
75.22890	0.9
78.50201	0.8
79.01875	1.1
79.05476	5.3
81.07051	1.6
83.04996	2.1
91.05485	9.6
93.07061	6.3
94.05151	0.9
95.04973	3.2
95.08627	5.0
103.05458	1.6
105.04520	0.9
105.07053	12.1
107.04951	3.8
107.07983	0.9
107.08601	6.4
108.05704	1.1
109.06526	5.1
109.10172	1.8
115.05377	1.0
117.07037	1.2
118.73381	0.9
119.04961	2.5
119.08592	9.0
121.06514	61.6
121.10156	3.6
122.06754	1.0
123.08083	16.3
124.17171	0.8
129.07030	1.6
130.07829	1.6
131.50238	1.0
133.06502	29.5
133.07542	1.5
133.10147	2.7
135.08061	8.6
135.11740	2.2
137.09590	1.2
143.08630	1.1
145.10135	2.5
147.04352	1.6
147.08052	2.7
147.11679	4.2
149.02354	0.9
149.09621	4.0
151.07547	2.4
161.09676	1.1
161.13289	2.6
163.11194	100.0
164.11490	1.0
165.12727	1.3
174.10429	1.3
179.07013	1.0
180.64388	0.8
189.12744	6.7
195.44569	0.8
207.06570	3.6
207.13817	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	3.2
55.05510	13.3
55.10485	1.5
59.05006	3.0
67.05509	3.9
69.03432	24.6
69.07071	2.4
69.65482	10.6
69.65810	1.4
79.05486	6.8
80.69329	1.4
81.07067	3.2
83.04980	4.9
85.02900	7.8
85.15444	1.6
91.05491	12.5
93.07059	9.7
95.04993	2.3
95.08610	10.5
96.44439	1.6
97.06501	1.9
97.96794	1.7
103.05455	2.0
105.07031	20.3
107.04942	4.0
107.08598	19.0
108.05714	1.5
109.06538	11.4
109.10194	2.2
117.07018	3.4
119.08580	17.7
121.05652	3.2
121.06519	54.5
121.10146	11.5
123.08083	25.9
123.11690	5.1
130.07771	1.8
131.08594	3.6
133.05492	1.8
133.06496	26.4
133.10147	3.5
135.08072	11.0
135.11693	2.1
137.09633	6.8
137.13216	1.6
139.57948	1.5
143.08505	2.7
145.10135	4.3
147.08084	4.6
147.11740	11.1
149.09633	100.0
151.07585	4.5
156.09384	4.2
159.08084	2.5
159.11728	1.8
161.09566	3.2
161.13286	8.5
163.11198	77.7
165.12781	9.1
171.11699	7.3
174.10429	2.7
174.14723	1.6
189.12767	27.1
207.13826	75.7
208.14220	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.55055	1.2
53.03934	2.6
54.24651	1.0
55.05503	5.3
57.07072	5.7
57.08834	1.1
58.90868	1.0
59.04992	2.5
62.35187	1.0
64.22695	1.0
65.03944	2.0
67.05508	36.2
69.03419	5.6
69.07058	2.7
71.04970	1.5
71.06448	1.0
71.09598	2.2
79.05482	6.0
80.06330	1.1
81.07071	6.0
83.04974	5.1
85.06554	9.8
91.05476	9.2
93.07058	16.1
95.04959	4.4
95.08611	100.0
97.06526	1.4
98.14870	1.3
103.51053	1.0
105.07045	19.5
107.08604	20.5
109.06524	5.5
109.10143	4.5
111.08075	2.1
113.05997	6.1
117.07025	1.2
119.08588	33.4
121.06485	5.3
121.10151	18.7
123.08073	64.4
123.11704	8.1
125.09642	2.2
131.08545	4.8
133.06483	3.2
133.10138	5.7
135.08136	1.9
135.11665	5.6
137.09619	7.8
137.13269	2.2
139.07515	2.6
145.10152	2.0
147.08087	6.5
147.11693	15.9
149.09630	61.8
151.07520	2.2
151.14804	4.7
153.09120	2.3
156.09344	2.6
159.08028	2.5
159.11769	2.2
160.08855	1.9
161.09584	3.3
161.13278	23.2
163.11162	3.8
165.09047	2.5
165.12732	12.2
171.11691	3.5
173.93735	1.3
174.10396	4.9
178.06993	1.2
179.14340	3.4
189.12755	25.7
207.13799	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05516	15.9
57.03424	2.7
57.07047	1.4
59.04996	1.6
65.03931	4.2
65.24269	1.4
67.05508	10.2
69.03443	9.1
69.07071	11.1
69.61370	10.2
71.04990	8.5
73.01620	1.8
79.05509	10.5
81.07063	8.7
83.04987	3.3
91.05488	41.3
93.07047	14.7
95.04971	9.9
95.08615	13.5
97.06522	4.7
98.20822	3.2
99.04452	6.9
103.05442	1.9
105.07038	57.4
107.04964	2.8
107.08597	39.6
109.06512	8.2
109.10163	15.5
115.05460	2.5
117.07043	7.6
118.04133	3.3
119.04951	27.6
119.08585	98.3
121.06509	16.2
121.10162	7.3
122.46651	1.5
123.08070	17.4
128.06227	4.2
129.03326	1.6
129.07004	4.2
131.08565	15.2
132.09363	1.7
132.43802	1.3
133.06516	7.1
133.09233	2.6
133.10143	32.0
135.08067	13.2
137.09599	6.6
141.06966	3.1
143.08562	8.5
144.09366	5.0
145.06477	3.8
145.10124	6.8
147.04430	20.3
147.08061	22.3
147.11696	86.7
149.09645	7.3
156.09358	20.3
159.08043	2.7
159.10442	3.0
159.11705	48.4
160.08881	7.3
161.09645	9.7
161.13266	56.6
161.14610	3.1
162.13585	1.8
164.04640	2.6
165.12747	2.2
171.11687	12.7
174.10423	5.0
175.03929	21.0
177.12756	12.5
179.07170	1.9
189.12749	31.0
192.04224	7.6
197.14282	1.4
207.06529	13.7
207.13815	100.0
208.14032	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03950	8.6
55.01876	2.4
55.05510	9.8
59.04999	1.1
65.03924	1.4
67.05509	28.0
69.03420	1.6
69.07066	7.6
71.04987	2.7
73.06574	1.2
77.03939	1.1
79.05498	53.2
81.03431	1.2
81.07063	24.5
83.04978	4.0
83.08610	3.0
85.06529	2.7
91.05483	52.1
93.07047	100.0
94.07380	1.2
95.04974	14.9
95.08607	13.5
97.06497	1.0
97.10187	1.6
98.21653	1.4
103.05434	1.1
105.04529	3.7
105.07034	30.1
107.08594	14.8
109.06490	4.6
109.10167	2.9
115.96438	1.4
117.07020	5.1
119.08588	22.9
121.06497	4.8
121.10135	4.8
123.08086	5.1
128.06212	1.5
129.07021	11.3
129.54904	0.9
131.08582	1.8
133.06529	2.1
133.10136	7.9
134.10568	1.0
135.08083	1.0
135.11714	1.5
137.05885	1.1
137.09616	1.1
143.08545	5.4
145.10127	9.1
147.07938	2.0
147.11688	56.1
149.09610	1.9
149.13243	1.9
161.09641	3.4
161.13260	11.3
163.03952	1.5
163.11179	3.2
171.11705	22.5
189.12720	11.9
189.16379	2.1
192.09413	2.1
207.06526	3.0
207.11768	2.6
207.13797	23.7
207.17468	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.84949	1.9
53.03955	1.7
55.05506	7.0
57.00158	1.7
57.03443	2.1
57.07073	4.6
59.05005	4.3
63.25230	1.9
65.03947	1.9
67.05511	36.8
69.03436	14.5
69.07071	7.3
70.11672	1.9
70.97849	5.0
76.61420	1.6
79.05502	8.9
80.27709	1.6
81.07063	8.8
83.04978	5.0
85.02882	1.8
85.06548	9.6
91.05486	14.1
93.02868	2.0
93.07043	21.4
95.04974	6.7
95.08612	100.0
97.06525	2.1
103.05490	2.1
105.07027	25.1
105.89947	2.2
107.08616	26.0
109.06526	7.5
109.10193	5.4
111.08112	3.1
113.06019	5.0
116.06284	2.1
117.07050	4.1
117.67552	1.8
119.04967	4.0
119.08590	36.4
119.09446	2.1
121.06525	6.2
121.10172	23.4
123.04405	3.1
123.08076	63.7
123.11714	9.3
131.08585	7.2
133.06479	3.4
133.10138	13.5
135.08095	3.2
135.11684	5.0
137.09567	4.5
139.07516	2.9
145.10132	4.8
147.08115	9.8
147.11732	15.4
149.09633	48.5
151.07556	4.1
151.14821	6.1
156.09319	3.1
159.08015	2.6
159.11749	2.5
161.09636	5.7
161.13289	25.6
163.11208	4.7
165.09146	3.0
165.12752	12.4
171.11696	4.6
174.10378	5.5
179.14301	3.0
189.12744	25.4
207.06436	2.8
207.13811	44.8
209.71284	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	207.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01868	1.1
55.05501	1.3
56.96568	5.2
57.03427	1.0
57.80452	0.4
58.69353	0.4
59.05002	0.5
60.79518	0.4
65.03925	1.0
65.92632	3.3
67.05510	2.4
67.93559	0.4
69.03440	2.8
69.07052	1.1
70.06582	0.9
71.04993	0.7
71.57998	0.5
73.02914	1.2
79.05486	1.7
79.64770	0.4
79.72582	0.4
80.94973	7.1
81.03406	1.2
81.07065	2.6
83.04990	1.9
83.08649	0.4
83.93668	0.6
84.86008	0.4
84.96055	0.8
85.02903	3.3
85.06565	1.1
91.05486	6.9
93.07037	1.7
94.06587	0.7
95.04969	1.8
95.08606	2.5
97.02874	1.7
97.06519	0.4
98.95998	0.9
98.97588	3.3
99.04456	0.8
103.05450	1.1
105.07043	5.3
107.04973	0.9
107.08623	2.3
107.28565	0.3
107.36384	0.4
109.02881	1.1
109.06531	2.8
109.10166	0.9
110.01305	0.5
111.04457	0.4
111.08033	0.4
115.03989	0.4
115.05483	0.5
116.98624	2.7
117.07053	0.7
118.06565	2.0
119.01853	1.0
119.04968	3.6
119.08586	4.3
120.08118	0.6
121.06490	1.3
121.10148	1.8
121.97590	8.6
123.04470	0.8
123.08068	4.3
123.11702	1.2
124.93902	3.8
127.03925	12.0
128.04967	6.1
128.05963	0.7
129.06985	1.2
131.01886	0.5
131.08524	0.9
132.02045	0.6
132.95851	0.5
133.06493	1.1
133.10121	1.9
134.99654	2.4
135.04411	0.6
135.08025	0.6
135.11667	0.6
137.05963	1.2
137.09636	2.1
142.94914	3.3
143.00258	0.4
143.08588	1.0
144.04547	0.5
145.01622	0.5
145.10199	0.6
146.06018	100.0
146.99699	0.8
147.04404	4.0
147.06358	0.6
147.08055	2.8
147.11694	2.9
148.03915	1.8
149.09633	3.4
151.07539	1.6
151.11200	0.4
156.09332	1.0
158.99681	0.8
160.08824	0.5
160.96019	4.8
161.01181	1.0
161.03030	0.7
161.05986	0.6
161.07132	0.7
161.09650	1.8
161.13264	1.6
162.05655	0.7
163.03920	0.5
163.11221	1.4
164.98541	1.2
165.05510	0.9
165.09106	0.7
165.12785	1.1
165.96556	8.0
170.99619	0.6
171.11734	0.6
173.01282	0.6
175.03920	3.5
175.53709	0.4
177.00720	0.7
178.04974	0.9
178.97095	0.5
179.05370	5.2
179.06921	0.8
182.99625	2.7
183.97612	10.5
189.00645	0.7
189.05646	0.7
189.09140	0.9
189.12759	2.7
189.16441	0.8
192.04173	1.6
201.00726	8.6
202.01033	1.1
206.65483	0.8
206.99243	1.0
207.04811	2.1
207.06589	6.3
207.09933	0.9
207.11823	1.0
207.13724	5.2
207.17429	1.2
213.39960	0.4
219.01778	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03931	1.3
55.05511	9.4
57.07074	4.8
61.02922	2.5
65.03927	1.5
65.59207	0.7
67.05508	8.7
69.03422	1.0
69.06722	1.1
69.07076	16.7
70.84100	1.7
71.08610	1.1
72.93788	2.9
73.02962	0.9
78.99443	0.6
79.05496	12.1
79.65508	0.8
81.03429	1.5
81.07064	51.6
83.08603	4.0
85.02923	0.9
87.31671	0.7
89.92838	0.8
90.94810	0.8
91.05489	6.2
93.07053	53.4
95.04997	2.0
95.08615	25.1
97.02901	1.6
97.10179	4.2
101.02425	0.9
105.07033	6.6
107.07870	1.6
107.08601	29.6
109.06496	1.1
109.10159	17.7
111.04435	1.6
111.11733	1.8
113.96401	4.7
119.08577	2.6
121.02877	2.6
121.10152	100.0
122.10474	0.7
123.04404	1.1
123.11717	8.4
127.03936	7.3
131.08603	0.9
131.97450	3.1
133.07643	0.8
135.10707	1.3
135.11705	16.9
139.03937	1.6
145.10181	1.9
147.11726	1.2
149.02353	15.6
149.13269	34.4
153.54665	0.8
154.99007	1.3
163.11153	0.9
163.14865	4.3
169.04991	0.9
187.14929	0.9
205.12314	1.2
205.14198	1.5
205.16005	2.3
205.19540	18.4
206.19722	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	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03962	1.5
55.05516	14.8
57.07071	5.1
60.48471	1.3
64.03163	1.1
67.05512	13.7
69.07074	25.7
69.51338	1.1
69.92349	7.1
71.08617	2.1
79.05498	16.4
81.07062	53.7
83.08625	9.2
91.05493	9.4
93.07050	53.3
95.08609	37.8
97.10175	5.6
105.07030	5.4
107.08601	45.2
109.10162	32.9
111.11745	3.7
112.59511	1.2
118.76052	1.3
119.08605	1.9
121.10149	100.0
122.10460	1.7
123.11724	14.7
133.64832	1.2
135.11699	35.1
149.02342	2.8
149.13264	50.9
163.14804	7.0
187.77295	1.4
205.19521	38.8
210.94341	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	206.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94047	0.3
55.05510	0.5
56.05038	0.3
56.96567	3.9
57.03437	0.5
57.07093	0.6
58.06618	0.7
60.04536	0.5
61.02934	0.8
63.92913	0.3
65.03946	0.4
67.05534	0.5
69.03440	1.0
69.07079	0.3
70.06590	2.4
70.34995	1.0
71.05003	0.6
73.02937	0.5
78.95306	0.5
79.05458	0.3
80.94971	0.9
81.03441	0.8
84.04550	0.4
84.08160	1.0
84.96024	0.3
85.02917	0.8
85.18342	0.3
86.09708	0.5
91.05492	0.5
93.07055	0.4
95.04968	0.5
97.02905	1.3
98.09713	1.2
98.97591	1.3
104.05000	0.6
105.03416	1.3
107.04959	0.5
109.02901	0.4
110.01277	0.3
110.03236	0.4
110.97588	0.3
116.05299	0.7
116.98639	0.8
118.06571	0.4
119.01888	0.3
119.04945	0.4
119.97890	0.4
120.08128	0.5
120.98248	0.4
121.02902	0.5
121.06547	0.3
121.97596	0.9
124.93829	0.4
127.03926	1.0
128.02324	0.3
128.04288	0.7
132.04427	2.4
133.02855	0.9
136.07579	0.5
137.05981	0.6
144.10202	1.8
145.01711	0.3
146.06006	0.7
146.99667	0.6
147.04437	0.6
149.01288	0.5
149.02362	1.2
150.02660	2.1
150.05505	2.7
151.03987	1.6
151.04988	0.4
155.00110	0.4
158.96330	0.5
158.99706	0.5
160.04134	0.6
160.96024	0.6
164.97305	0.4
164.98615	0.9
165.96573	1.0
169.85510	0.3
175.03996	0.4
176.02293	0.5
178.05005	100.0
179.05325	1.0
182.98235	0.4
182.99678	3.8
183.97641	0.8
188.09140	0.4
191.09416	1.7
191.14304	1.3
201.00726	11.1
206.04500	40.0
206.07985	1.1
206.11681	5.9
206.14993	1.8
207.04738	0.4
215.02252	0.5
219.01797	2.9
224.02173	0.5
227.99442	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03940	3.6
55.05513	15.6
57.07079	15.9
58.31849	1.1
61.02914	5.6
65.03944	6.0
67.05508	16.5
69.03442	1.3
69.07072	26.2
71.08630	1.8
72.93775	2.1
73.02945	1.2
79.05499	16.9
81.03412	3.4
81.06580	3.0
81.07059	58.1
83.08630	11.3
85.02890	1.7
86.29659	1.3
87.04475	1.6
91.05482	9.2
93.03436	1.7
93.07048	58.5
95.04977	3.4
95.08611	40.9
95.09097	0.9
97.02875	4.3
97.10155	8.1
98.21543	2.3
99.04458	2.4
101.02361	3.0
105.07028	8.4
107.08603	50.6
109.02861	3.8
109.10163	31.6
109.10912	1.5
109.94556	1.2
111.04462	3.1
111.11692	3.9
113.96417	4.3
121.02886	13.6
121.10152	100.0
122.10497	1.6
123.04415	2.3
123.08038	1.8
123.11716	22.2
127.03922	18.2
131.97417	1.6
135.11703	31.1
137.13280	2.5
139.03891	2.9
141.05495	1.6
147.11673	1.6
149.02354	98.5
149.13264	57.6
150.02710	2.6
151.03937	2.2
163.14810	6.7
169.05022	3.2
191.14471	1.7
205.07240	1.5
205.09001	1.3
205.12271	2.8
205.14191	1.6
205.15950	2.3
205.19543	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.54960	1.1
53.03939	3.8
55.01862	5.3
55.05511	15.7
57.03424	3.3
57.06861	1.0
57.07079	11.8
59.04996	1.9
60.04519	2.3
61.02931	18.2
65.03944	7.1
67.05508	100.0
68.05837	1.3
68.24332	1.4
69.03432	7.8
69.07071	15.1
70.90586	2.8
71.01343	1.3
71.04989	3.2
72.93802	1.4
73.02917	3.2
79.05499	48.4
79.05964	2.3
81.03423	13.9
81.07063	90.6
83.04968	3.1
83.08631	10.1
84.04487	1.4
85.02917	7.8
87.04462	2.1
91.05485	12.5
93.07051	57.4
95.04978	8.0
95.08611	46.3
95.09227	2.3
97.02901	15.9
97.04823	1.1
97.06513	1.2
97.10164	3.5
99.04460	8.2
101.02404	6.0
103.03969	1.2
105.07040	13.0
107.04943	1.6
107.08601	37.7
109.02885	9.4
109.06528	2.4
109.10165	33.5
111.04445	6.6
111.11704	2.1
113.02343	1.3
113.53474	1.2
113.96404	2.4
115.03918	5.9
117.07008	4.3
119.08581	10.3
121.02871	9.2
121.03993	1.8
121.06521	4.3
121.10152	84.4
122.10472	1.5
123.04462	8.4
123.08057	3.3
123.11718	37.5
126.05508	1.4
127.03925	57.8
127.05855	2.8
128.04269	1.2
129.07024	1.8
130.07712	1.2
130.45895	1.3
131.08603	5.9
133.10159	6.3
135.08035	4.4
135.11708	61.0
137.09581	1.8
137.13231	5.9
139.03902	8.3
140.04681	1.8
141.05482	4.6
143.03387	1.8
143.08571	2.0
144.09314	1.5
145.04849	1.3
145.06512	2.1
145.10141	17.1
146.06058	1.6
147.08078	1.5
147.11697	8.2
149.02353	64.1
149.06003	1.8
149.09639	5.1
149.13258	20.6
150.02788	1.4
151.03902	5.5
157.04956	1.9
159.11684	6.3
161.09607	2.5
161.13272	2.9
162.10445	1.4
163.07578	1.6
163.11223	6.4
163.14845	8.1
169.04991	9.8
175.14853	5.3
177.12735	4.2
177.16437	4.6
187.05959	3.3
187.07668	1.3
187.11185	2.6
187.14816	10.5
205.07037	4.0
205.08870	3.0
205.12239	10.0
205.14261	5.2
205.15901	84.7
205.19522	62.8
206.16299	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	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03944	1.1
55.01865	2.5
55.05516	7.3
56.86823	0.7
57.03411	0.7
57.07073	4.8
59.04985	1.6
61.02914	3.1
65.03936	1.6
67.05503	6.6
68.95236	0.7
69.03446	3.4
69.06725	1.0
69.07074	14.6
70.04318	2.7
71.04977	1.3
71.87069	0.7
72.84532	0.7
73.02911	0.8
79.05499	7.8
80.97215	0.7
81.03403	2.7
81.07066	9.5
83.04980	2.4
83.08608	4.6
84.04491	0.9
85.02895	1.9
90.19473	0.7
91.05470	9.8
93.07044	17.8
95.04967	2.8
95.08050	1.2
95.08613	16.6
97.02888	3.1
97.06527	2.2
97.10168	0.9
99.04463	1.9
99.08082	1.0
101.02396	1.3
103.05450	0.8
104.92477	0.7
105.07035	16.5
105.07756	1.2
107.04946	1.7
107.08601	32.9
109.02878	2.1
109.06534	2.1
109.10159	6.7
111.04440	1.7
111.08105	1.8
111.11693	0.8
115.03901	1.2
115.05447	1.4
116.06155	1.0
117.07021	9.6
119.08591	24.0
121.02850	2.2
121.04039	0.8
121.06500	6.4
121.09313	1.4
121.10149	26.3
121.11030	1.3
123.04403	2.4
123.08056	2.0
123.11707	2.4
126.98943	0.8
127.03098	0.9
127.03935	12.4
128.06169	0.7
129.07033	1.4
130.07791	3.3
131.08572	12.0
133.10150	18.2
135.08066	6.8
135.11708	10.2
137.09602	1.0
139.03886	2.6
141.05493	1.2
143.08611	4.3
144.09370	2.8
145.06488	1.5
145.10124	39.2
147.08047	2.4
147.11682	7.5
149.02353	16.6
149.06183	0.8
149.09634	3.9
149.13266	5.3
151.03889	1.7
157.10141	3.6
158.10944	3.3
159.08109	1.2
159.11705	13.2
161.09660	1.8
161.13286	3.9
162.10422	1.7
163.03996	0.9
163.07555	1.2
163.11195	18.0
163.14848	3.8
169.04988	1.6
172.08818	0.9
172.12479	2.9
173.04201	0.9
174.14032	1.3
175.07507	1.5
175.11189	1.6
175.14839	29.3
176.15172	0.8
177.12903	1.7
177.16399	13.6
187.06017	0.9
187.11241	2.5
187.14827	21.2
187.16449	1.5
188.07069	1.4
190.09904	1.9
190.13507	3.4
205.04945	1.0
205.06934	1.7
205.08748	2.0
205.12448	10.1
205.15887	100.0
205.19554	3.6
206.16161	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	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03941	2.7
55.01859	4.5
55.05513	15.9
57.03437	3.2
57.07072	10.1
59.04990	2.2
60.04522	2.1
61.02925	7.1
65.03933	4.6
66.75433	1.1
67.05509	17.8
69.03429	9.0
69.07071	31.6
71.04990	3.6
71.08611	1.1
71.10909	3.4
73.02905	1.7
77.03884	1.1
79.05063	1.5
79.05502	24.1
81.03443	5.8
81.07061	34.2
83.04991	6.1
83.08623	11.6
85.02921	7.8
85.06544	2.4
87.04453	1.8
91.05486	26.9
93.03410	1.3
93.06467	2.2
93.07050	40.5
95.04963	7.1
95.08614	44.9
97.02892	9.5
97.06510	4.0
97.10166	3.8
99.04459	4.8
99.08089	2.0
101.02389	2.5
103.05503	2.7
105.03406	1.4
105.07038	50.5
107.04933	2.0
107.08601	76.2
109.02871	6.0
109.06517	10.3
109.10161	22.2
111.04439	3.9
111.08111	3.8
115.03925	2.9
115.05435	8.7
116.06232	1.5
117.07027	21.1
118.06570	2.1
119.08590	53.4
121.02875	6.6
121.06507	9.9
121.10149	61.9
123.04468	6.4
123.08073	10.0
123.11705	9.7
127.02976	1.4
127.03926	28.2
128.06215	2.5
129.06992	5.4
130.07787	7.8
131.08586	27.2
133.06508	2.9
133.10138	34.4
135.04443	1.3
135.08055	14.3
135.11705	24.0
137.09619	2.6
139.03912	4.9
141.05386	2.1
142.07863	1.6
143.04962	2.0
143.08574	11.2
144.05780	1.6
144.08130	1.3
144.09319	5.0
145.04901	2.6
145.06483	4.7
145.10130	100.0
146.06026	3.5
146.10754	1.3
147.08051	2.3
147.11693	22.7
149.01144	2.6
149.02348	48.5
149.05998	2.4
149.09618	14.8
149.12198	1.5
149.13275	17.3
151.03966	2.0
157.10147	5.6
158.10931	4.9
159.08083	4.6
159.11699	37.3
159.13039	2.4
160.12428	1.6
161.05978	4.1
161.09653	3.7
161.13269	16.7
162.10417	1.7
163.03911	3.5
163.07477	1.3
163.11182	30.5
163.14832	15.4
169.04916	6.8
172.08862	2.5
172.12444	3.8
173.04285	4.2
173.13258	2.9
174.14034	2.9
175.07521	2.9
175.11288	1.4
175.14828	46.6
176.06332	1.1
177.09100	2.5
177.12791	7.7
177.16389	24.2
180.98946	1.2
187.07574	1.6
187.11238	6.3
187.14830	46.5
188.07080	4.8
188.15240	1.3
190.09921	6.9
205.05020	2.7
205.06888	4.3
205.08641	4.4
205.12288	41.1
205.15894	82.8
205.19553	12.3
206.16237	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
52.15334	1.7
53.03941	5.3
55.01875	4.4
55.05520	13.8
57.03434	5.2
57.07081	14.0
57.12044	1.8
59.05005	3.8
60.04510	1.9
61.02930	14.8
65.03945	6.3
67.05507	14.6
69.03442	13.6
69.07072	27.0
70.32505	6.4
71.04988	6.7
73.02922	3.8
79.05500	17.4
81.03419	12.2
81.07064	36.5
83.04987	4.5
83.08615	8.9
85.02913	11.9
87.04473	3.9
91.05481	28.1
93.03419	2.6
93.07048	36.8
94.07391	1.7
95.04996	8.9
95.08616	45.2
97.02898	14.7
97.06535	3.6
97.10185	3.5
99.04464	6.8
100.03424	1.7
101.02386	6.9
105.07032	50.5
107.08605	67.0
109.02885	7.4
109.06528	6.0
109.10158	15.6
111.04451	4.6
111.08075	6.2
115.03941	8.0
117.07021	19.7
119.08584	56.0
121.02881	10.0
121.03980	2.5
121.06493	9.8
121.10151	59.2
123.04427	8.1
123.05261	1.9
123.08100	9.1
123.11769	8.9
127.03928	53.4
127.05901	3.7
129.06976	4.0
130.07835	6.6
131.08588	29.1
131.97437	2.8
133.10143	37.3
135.08061	11.4
135.11737	13.7
137.09627	3.3
139.03937	10.2
140.04680	2.4
141.05470	4.8
143.08571	14.2
144.09392	3.8
145.10130	81.9
146.05974	2.4
147.08009	3.2
147.11688	19.8
149.01138	3.3
149.02353	62.8
149.06013	2.6
149.09627	7.3
149.13260	11.7
151.03954	3.7
157.10150	4.3
158.10941	8.0
159.11707	28.8
161.09544	2.2
161.13275	14.3
162.10413	2.4
163.11229	16.9
163.14859	9.8
169.03731	2.4
169.04955	11.6
172.12469	5.0
173.00772	2.1
173.13377	2.1
174.14044	3.5
175.14838	47.6
177.12759	5.3
177.16412	31.8
187.05920	2.0
187.11237	5.0
187.14836	53.4
188.07120	2.0
190.09943	3.0
205.06987	5.0
205.08788	5.0
205.12433	16.6
205.15901	100.0
205.19655	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03945	1.8
55.01862	1.6
55.05509	7.9
57.07072	6.3
59.05010	1.3
61.02945	2.5
64.81171	0.9
65.03924	2.2
67.05519	7.2
69.03423	4.3
69.07073	17.1
69.60701	6.8
71.04954	1.0
71.08603	1.0
79.05499	11.2
79.16389	0.9
81.03405	2.3
81.07065	13.4
83.04974	3.9
83.08633	6.3
85.02897	2.2
91.05483	10.5
93.07050	20.9
95.04935	2.3
95.08617	22.9
96.36717	1.0
97.02885	3.1
97.06559	1.7
97.10115	1.4
101.02338	1.1
103.22054	1.0
105.06375	0.8
105.07041	22.1
107.04950	1.6
107.08601	44.0
107.53069	1.1
109.06517	2.6
109.10187	9.4
111.08083	2.1
115.05435	3.2
116.02847	1.0
117.07028	14.8
119.08590	31.7
121.02866	3.3
121.06522	9.4
121.09307	2.1
121.10155	38.1
123.04412	1.4
123.08072	2.2
123.11703	2.5
127.03910	7.0
128.06203	1.0
129.07068	2.2
130.07813	4.5
131.08583	15.1
133.10143	25.1
135.04478	1.1
135.08064	5.4
135.11691	12.6
137.09647	1.1
143.08629	5.9
144.09352	2.1
145.04930	1.3
145.06462	1.7
145.10136	51.7
146.10715	1.2
147.08057	4.3
147.11697	8.4
148.08804	1.6
149.02361	22.1
149.09657	5.6
149.13258	9.4
157.10170	4.8
158.10912	4.8
159.08040	1.5
159.11711	18.6
160.12456	1.3
161.13310	6.3
163.03915	3.0
163.05838	1.0
163.07510	1.7
163.11194	24.3
163.14821	6.0
164.11560	1.2
172.12480	4.5
174.14046	1.5
175.11183	2.2
175.14839	42.1
177.09116	1.0
177.12776	4.1
177.16396	17.9
186.58002	1.2
187.11180	2.0
187.14845	30.7
190.09863	1.2
190.13553	3.7
205.08693	2.4
205.12531	9.3
205.15894	100.0
205.19472	4.7
206.16389	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.01863	2.9
55.05512	11.8
57.03450	2.7
57.07067	8.2
58.97427	1.9
61.02898	2.6
64.41619	1.9
67.05493	7.6
69.03453	3.0
69.06783	2.2
69.07075	28.0
70.95840	2.3
70.96185	4.4
79.05499	16.6
81.03417	4.9
81.07059	19.7
83.04974	5.6
83.08628	13.1
85.02929	2.4
91.05472	16.8
93.07050	28.4
95.04977	3.2
95.08608	35.7
97.02900	4.0
97.06536	2.5
103.05479	2.2
105.07034	31.5
105.21896	2.1
107.08602	74.7
108.79683	2.0
109.02870	2.4
109.06550	4.5
109.10158	9.1
117.07018	17.7
119.08586	62.9
120.46734	2.0
121.06499	7.3
121.09306	4.2
121.10147	66.8
123.08041	6.5
123.11716	3.8
127.03934	6.2
128.06224	2.0
129.06949	3.4
130.07780	4.3
131.08580	28.9
133.10135	50.9
135.08049	6.6
135.11717	13.4
137.09578	3.6
143.08592	10.8
144.09337	4.5
145.10136	75.5
146.06068	2.4
147.08069	2.2
147.11743	12.2
149.02361	16.1
149.09598	5.5
149.13284	6.6
157.10146	8.8
158.10919	8.5
159.11699	24.6
161.13278	11.1
163.11174	48.7
163.14821	6.9
167.49022	2.2
172.12509	5.4
174.14046	5.4
175.14842	89.4
177.16400	43.0
187.14842	64.3
192.80402	2.3
205.15895	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	205.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01859	5.8
55.05514	12.2
57.03432	2.8
57.07084	12.6
59.04994	2.8
60.04523	1.7
61.02931	14.1
62.64406	1.5
65.03929	5.5
67.05508	14.2
67.83559	1.6
69.03424	8.9
69.06728	2.4
69.07073	30.9
71.04985	4.6
71.58879	2.3
73.02914	1.5
78.31302	1.3
79.05496	20.5
81.03411	10.9
81.07064	23.4
83.04974	5.3
83.08604	8.8
85.02908	8.6
85.06533	2.0
87.04454	2.0
89.03934	1.8
90.04221	3.2
90.68073	1.4
91.05486	28.6
93.07047	32.9
95.01293	1.7
95.04985	7.3
95.08610	35.1
97.02892	13.7
97.06513	4.4
97.10165	2.4
98.03212	1.9
99.04444	7.0
101.02347	6.3
103.05451	3.4
105.03393	2.7
105.07034	46.3
107.04956	1.9
107.08597	73.2
109.02854	6.1
109.06558	8.3
109.10165	18.4
111.04431	5.3
111.08064	3.8
113.06057	1.8
115.03897	4.4
115.05457	45.3
116.05029	1.9
117.05307	7.4
117.07021	22.4
119.08585	63.2
121.02856	6.1
121.03954	2.3
121.06494	8.2
121.10141	66.1
123.04430	8.5
123.08065	8.6
123.11692	5.7
127.03922	41.2
129.06970	3.7
130.07764	6.6
131.04904	5.0
131.08568	25.6
133.06485	6.4
133.10136	41.6
135.08078	9.1
135.11687	21.4
137.09596	3.1
139.03900	7.1
141.05479	3.5
143.04941	38.1
143.08554	13.3
144.04433	2.6
144.09325	5.8
145.04810	11.5
145.06458	2.8
145.10126	98.8
146.06017	3.5
147.08020	3.8
147.11714	21.2
149.02351	54.1
149.06003	4.5
149.09634	14.5
149.13248	10.9
150.02570	1.8
151.03888	4.8
157.05037	1.8
157.10110	7.2
158.10892	5.9
159.07956	2.0
159.11694	30.1
161.05986	38.7
161.09621	3.2
161.13269	15.5
162.10268	1.8
163.03940	3.4
163.05827	4.2
163.11197	43.1
163.14810	15.8
169.04965	7.0
172.03961	3.8
172.12466	6.0
173.04295	27.8
173.13254	1.7
174.14029	3.4
175.07478	3.1
175.14835	65.1
177.05406	2.9
177.12759	6.2
177.14996	2.4
177.16415	31.2
187.03896	3.0
187.06067	1.8
187.11252	7.8
187.14838	58.8
190.09898	4.7
205.04933	4.9
205.06892	17.9
205.08835	3.7
205.12318	32.1
205.14304	5.4
205.15880	100.0
205.19479	6.8
206.12598	1.7
206.16180	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	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03942	5.1
55.01863	4.9
55.05511	15.4
57.03421	3.9
57.07085	13.0
59.05006	2.6
61.02937	13.9
61.63443	1.5
65.03934	6.7
66.10891	1.9
67.05512	16.8
69.03439	10.4
69.06722	2.4
69.07069	32.8
71.01356	1.8
71.04980	5.7
71.58907	2.7
73.02905	2.2
79.05497	22.4
81.03400	10.3
81.07056	25.2
83.04972	7.4
83.08616	13.0
85.02898	6.9
91.04960	2.8
91.05482	32.1
93.03377	2.5
93.07048	40.3
95.04974	9.9
95.08613	38.7
97.02888	10.5
97.06508	4.3
97.10152	2.4
99.04464	8.6
101.02375	3.7
103.05447	4.5
105.07040	46.6
107.04965	3.1
107.08601	76.4
108.08892	1.7
109.02902	8.8
109.06500	10.8
109.10153	17.9
109.33267	1.8
111.04440	4.6
111.08085	3.6
115.03919	4.7
115.05471	10.1
117.05272	2.2
117.07034	25.2
119.08586	60.6
121.02885	7.5
121.03945	2.7
121.06514	18.6
121.10146	65.8
123.04417	7.3
123.08042	5.3
123.11711	4.8
127.03916	37.6
127.05840	2.2
128.06209	3.3
129.07004	9.7
130.07779	7.5
131.04895	2.0
131.08578	31.8
133.09106	2.8
133.10132	48.2
135.08086	14.4
135.11703	32.5
137.09566	2.9
139.03902	5.2
140.04674	2.5
141.05455	2.3
143.08566	12.5
144.09325	8.4
145.04842	3.8
145.06519	5.1
145.10130	100.0
146.06041	2.7
147.08017	7.3
147.11720	14.6
149.01147	2.9
149.02350	56.9
149.05989	2.9
149.09621	19.0
149.13257	16.0
151.03937	3.2
156.89470	2.3
157.05019	2.1
157.10136	8.9
158.10924	8.2
159.08099	3.9
159.11702	41.7
161.06000	8.5
161.09624	5.7
161.13264	10.3
162.10406	5.6
163.03922	3.2
163.07562	4.3
163.11192	67.1
163.14865	8.1
167.03311	2.2
169.04918	4.0
172.08836	5.4
172.12456	4.8
173.04282	12.2
173.05792	2.2
173.13193	1.9
174.14067	3.2
175.07564	6.6
175.11301	2.4
175.14833	71.3
177.09174	2.9
177.12799	12.9
177.16383	32.1
187.03827	2.8
187.11200	12.8
187.14818	52.4
188.07123	3.0
190.09874	22.0
190.13492	2.2
205.04857	4.0
205.06796	8.0
205.08665	5.3
205.12242	85.1
205.14218	7.4
205.15883	91.6
205.19493	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	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.58538	0.3
53.03949	4.1
54.03274	0.3
55.01873	1.1
55.05517	0.7
57.07085	1.6
61.02924	1.2
65.03942	0.7
67.05492	1.0
69.03434	2.0
69.07066	0.6
71.05705	0.8
74.25091	0.3
77.03935	1.0
78.39530	0.3
79.05491	1.6
81.03419	1.2
81.07066	0.9
83.04983	1.2
85.02906	1.1
85.06516	0.4
91.05486	19.7
93.07050	59.0
94.07379	0.9
95.04983	5.8
95.08588	0.6
97.02892	1.3
97.06538	0.4
98.61450	0.3
99.04473	0.8
103.05481	4.3
105.04517	1.7
105.07035	2.7
107.04954	0.4
107.08567	1.7
109.02884	1.0
109.06530	1.0
111.04469	0.5
115.05444	2.0
117.07024	2.2
118.06544	2.8
119.08569	2.4
121.02873	0.8
121.06512	100.0
121.10120	1.1
122.06870	1.3
123.04449	1.1
123.08131	0.4
127.03930	2.8
128.06238	0.4
129.06998	0.9
130.06546	0.4
130.07819	0.6
130.08800	0.3
131.08606	2.4
132.08105	0.8
133.06532	0.4
133.10176	0.8
135.08067	2.1
135.11682	0.6
139.03925	0.8
143.04970	0.4
143.08569	0.5
144.08098	1.4
144.09343	1.4
145.06483	0.9
145.10141	2.2
146.06029	6.0
147.05486	0.4
147.08072	0.8
149.02351	7.4
149.06012	0.7
149.09540	0.6
149.13237	0.5
151.03897	0.3
159.04422	0.7
159.08057	1.3
159.09236	0.6
159.11699	5.8
161.05951	1.4
161.09613	0.7
161.13133	0.3
163.07559	0.6
163.11171	2.3
170.06064	0.3
172.08826	0.6
175.11246	0.5
177.09114	0.7
177.12802	2.0
185.76418	0.3
187.03888	0.7
187.07558	0.4
187.11179	1.2
188.07077	5.3
200.77780	0.3
205.06529	0.5
205.08751	1.0
205.12253	14.0
205.14069	0.8
205.15955	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	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.01579	0.6
70.03001	1.4
74.02469	1.2
80.96379	0.5
89.80453	0.5
91.05502	1.9
98.20866	0.6
113.10428	0.5
115.05453	3.0
117.05768	1.8
117.07032	2.9
117.99425	0.4
118.06548	41.6
130.06526	2.9
132.08104	10.4
142.06543	4.2
143.07291	5.2
144.04472	0.6
144.07196	0.3
144.08093	20.9
146.06017	100.0
147.06396	0.6
155.06073	0.5
159.09181	9.0
160.07619	1.6
166.20932	0.5
170.06012	8.1
188.07077	70.9
205.09758	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	205.0862
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
53.03930	4.1
55.01879	10.2
55.05495	3.7
56.05029	3.2
57.07074	2.3
61.01144	2.5
61.02914	3.2
65.03940	4.7
67.05511	14.9
69.03423	6.0
69.07082	1.5
70.55762	2.9
70.56165	2.8
79.05496	15.5
81.03419	19.6
81.07055	2.7
83.04987	32.9
85.02901	6.1
91.05489	55.3
93.07056	13.7
95.01308	2.5
95.04971	43.5
95.08619	2.5
97.02888	6.2
97.06504	2.0
98.06044	1.6
98.21416	1.5
99.04437	3.1
101.02357	1.8
103.05459	5.4
104.05319	2.7
105.07040	29.5
105.66705	1.6
107.04963	23.8
107.08600	10.0
109.02209	2.4
109.02889	30.5
109.06518	8.3
111.04456	4.6
113.06014	1.5
115.05466	21.6
116.06209	5.1
117.07024	100.0
118.06592	7.0
118.07304	2.2
119.04940	4.2
119.08572	7.6
120.08077	1.6
121.02856	5.1
121.06506	11.8
121.10180	3.5
123.04429	58.0
127.03098	1.5
127.03934	19.7
128.06226	7.9
129.07008	10.5
131.04974	7.4
131.08572	66.3
133.06506	23.7
133.10106	7.4
135.04420	1.8
135.08060	26.8
136.18347	1.3
137.06000	3.0
139.03902	2.4
139.78188	1.5
141.05423	1.9
141.06999	13.0
143.04884	2.2
143.08562	4.1
144.05692	5.3
144.08118	1.9
145.06490	44.5
145.10107	6.7
146.06015	12.2
146.07149	2.0
147.04630	1.7
147.08026	1.5
149.02357	24.3
149.05977	1.9
149.09633	13.4
155.06009	3.4
158.08209	2.1
159.04483	3.1
159.08066	70.8
159.11662	6.6
161.05981	19.9
161.09622	4.0
163.07552	33.9
163.11229	2.3
164.07588	1.5
169.05098	2.7
169.06479	8.0
173.06003	3.5
177.09117	56.7
177.12740	2.9
187.04141	1.6
187.05919	2.0
187.07561	32.1
187.11203	2.6
187.14806	2.6
188.07031	8.9
205.08612	76.1
205.12157	11.2
205.14026	2.3
205.15898	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	Tenuifolene
Peak:m/z	Relative Intensity
51.42978	0.4
51.49572	0.5
53.03947	1.4
55.01876	0.5
55.05512	8.5
57.07079	3.9
60.04523	3.3
61.02935	0.9
64.17188	0.5
65.03955	0.6
67.05164	1.0
67.05508	14.0
68.05014	0.6
69.03420	1.0
69.07071	15.2
71.08643	0.7
71.59030	1.0
71.60831	0.5
79.05499	8.7
81.03411	1.0
81.07062	28.6
83.08624	6.9
84.04510	8.9
85.02911	2.2
90.34669	0.5
91.05070	0.4
91.05483	14.9
93.07050	13.4
95.04989	1.5
95.08611	36.6
95.62129	0.5
96.04504	1.2
97.02914	1.4
97.10172	1.5
97.49132	0.5
103.03944	1.2
103.05465	0.9
104.71954	0.5
105.07035	100.0
107.08599	16.9
109.06540	0.7
109.10161	25.8
111.08051	0.6
114.05529	1.1
115.05496	0.6
117.06992	3.1
118.07787	1.0
119.08585	59.1
121.10147	16.3
123.08030	0.7
123.11717	9.8
126.05511	5.3
128.06128	0.8
129.07053	1.2
131.08565	6.4
132.09325	0.6
133.06506	1.1
133.10136	47.8
135.08063	1.8
135.11694	3.4
142.07809	0.8
143.08601	2.1
145.10136	8.3
146.07329	0.9
146.10851	0.8
147.08084	2.7
147.11694	62.0
148.12137	0.9
157.07649	0.8
157.10175	1.4
159.08014	1.1
159.11655	3.2
160.08868	0.9
160.12471	3.4
161.08296	1.0
161.09636	16.5
161.13269	24.6
170.10851	0.7
173.13251	1.0
174.10448	1.1
174.14041	1.3
175.11172	0.8
175.14830	8.9
185.13309	1.5
186.07697	0.8
188.12077	1.3
188.15472	0.5
203.10747	2.6
203.14343	17.0
203.17969	75.0
204.08681	2.1
204.13870	1.9
204.18272	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	205.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01867	9.8
55.05499	4.2
56.05017	4.4
57.03412	1.8
57.07067	3.3
57.90512	1.4
59.16978	1.3
60.04506	1.4
61.01157	2.7
61.02918	2.2
61.30392	1.2
65.03924	4.6
67.05510	14.3
69.03429	8.4
70.92636	2.7
71.04977	1.6
79.05132	1.5
79.05511	17.9
81.02988	1.6
81.03424	24.5
81.07034	3.2
83.04985	33.7
84.26955	1.7
85.02883	4.1
91.05488	54.3
93.07055	15.3
95.01333	2.1
95.04974	40.2
95.08634	1.9
97.02872	4.4
98.06061	3.4
99.04459	1.7
103.05460	6.2
104.05302	4.0
105.03374	2.9
105.07030	29.1
107.04953	23.3
107.08579	9.6
109.02884	26.8
109.06543	6.9
111.04418	4.1
115.05460	21.6
116.06292	7.5
117.07030	100.0
118.06529	6.6
119.04902	2.1
119.08595	8.8
121.02850	3.6
121.06516	15.6
121.10148	5.4
122.01939	1.3
123.04440	57.7
127.03922	18.7
128.06218	8.7
129.06999	8.4
130.07779	3.1
131.04930	9.7
131.07585	3.1
131.08575	60.3
133.06497	31.7
133.10135	7.1
135.08055	30.7
141.07004	13.5
143.04919	4.4
143.08560	4.7
144.05722	7.8
144.08116	3.1
144.09349	4.7
145.05400	2.8
145.06494	45.0
145.10155	14.5
146.06033	15.5
146.07135	2.3
149.02336	22.7
149.05989	4.2
149.09647	11.7
155.06046	2.9
158.08153	3.7
159.04440	4.7
159.08063	74.4
159.09380	3.6
159.11673	11.3
159.19135	1.5
160.08292	1.4
161.05986	20.4
161.09616	4.1
163.07549	34.8
163.11201	2.0
169.06461	4.7
170.06148	1.5
173.05981	2.0
177.05585	1.7
177.09122	50.9
177.12679	4.2
187.03929	2.9
187.07556	36.3
187.11168	3.2
188.07036	9.0
205.08612	88.3
205.12178	14.6
205.14066	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.44103	1.2
53.03937	1.2
55.05519	11.5
57.07079	2.9
60.04522	1.8
65.03913	1.8
65.13947	1.0
67.05163	1.8
67.05511	27.2
68.05019	1.2
69.03413	2.3
69.07068	20.4
79.05499	7.6
81.07066	41.7
83.08617	4.4
84.04530	7.2
91.05482	18.7
92.78661	1.3
93.07052	25.4
95.04949	1.6
95.08614	40.0
96.04492	2.1
97.02902	3.1
97.10161	1.3
105.07040	78.8
107.08600	27.2
109.10167	71.7
114.05537	2.7
117.07049	6.7
119.08590	97.4
121.10172	16.4
123.11718	73.3
123.12413	0.9
124.12025	1.2
126.05524	6.5
131.08585	5.0
133.06400	1.1
133.10138	39.2
135.08127	1.4
135.11691	5.7
143.08585	2.1
145.10107	11.7
147.08023	1.7
147.11703	70.8
157.10182	2.0
159.11682	7.9
160.12508	4.1
161.09608	4.0
161.13272	19.2
170.10931	1.3
175.14824	4.2
185.04492	1.4
185.13293	3.4
203.08540	2.6
203.10548	2.2
203.14372	20.1
203.17975	100.0
204.08690	4.0
204.13860	2.2
204.18295	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03928	1.8
55.05303	1.0
55.05517	10.0
57.07061	2.7
66.70203	0.8
67.05508	14.6
69.07076	13.2
69.47111	7.7
71.08620	0.9
75.46110	0.9
79.05501	6.5
81.07058	16.2
83.08652	5.5
84.04497	1.7
91.05481	14.9
93.07046	10.1
95.08611	43.7
96.04496	1.2
96.36594	1.0
97.10169	1.0
102.59304	0.9
105.07036	43.3
107.08601	25.8
109.10162	24.6
115.05582	1.0
117.07015	2.7
119.08587	59.8
121.10152	16.6
123.11688	5.3
126.05517	2.1
129.97908	1.5
131.08588	6.2
133.10132	67.8
135.11674	4.6
136.93161	1.0
145.10132	6.0
146.10872	2.0
147.11696	51.9
159.11703	6.6
160.12480	3.2
161.13261	21.9
164.48003	1.0
173.13278	1.9
174.14014	4.6
175.14836	8.5
203.10774	1.4
203.17964	100.0
204.08694	1.2
204.18312	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	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.93088	1.1
53.03943	1.5
55.05517	9.6
56.05008	1.1
57.07066	4.0
60.04527	1.8
67.05170	1.7
67.05515	22.8
68.05020	1.6
69.03431	1.9
69.06783	1.4
69.07078	15.8
70.71582	1.1
79.05506	9.5
81.07063	32.1
83.08648	6.2
83.61793	1.2
84.04517	6.1
85.02913	1.4
91.05500	16.5
93.07046	15.7
95.08615	47.8
96.04477	3.8
97.02885	3.1
97.10167	1.9
98.06055	2.2
100.04777	1.1
105.07043	80.8
107.08598	21.8
109.06525	2.5
109.10173	43.4
114.05541	2.0
115.05446	1.2
117.07016	4.3
117.36861	1.2
119.08596	65.6
121.06538	1.3
121.10155	23.3
123.11722	10.9
126.05521	8.4
131.08566	9.7
133.10144	54.5
135.08076	2.3
135.11681	6.1
142.07823	1.5
145.10167	10.6
146.10849	1.4
147.08064	2.0
147.11707	77.6
148.12347	1.2
156.04214	2.1
157.10112	2.4
159.11720	7.8
160.08868	1.3
160.12485	5.6
161.09624	3.7
161.13290	27.7
167.03383	1.7
174.14090	2.0
175.14821	8.6
185.04448	5.5
185.13347	2.2
203.10664	6.3
203.14413	11.0
203.17979	100.0
204.08714	3.5
204.13914	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03959	1.1
55.05519	7.1
57.07085	4.0
61.24006	0.7
65.03993	0.8
67.05512	12.7
69.07080	13.7
69.73261	1.6
69.73664	3.9
79.05505	6.9
81.07065	26.8
83.08620	3.8
91.05485	16.9
92.06288	0.7
93.07053	11.8
95.08618	35.9
97.10179	0.9
98.20685	0.9
98.88702	0.7
103.05486	1.4
105.07040	100.0
107.08604	17.0
109.10165	26.1
109.10918	1.2
117.07037	2.8
119.08590	50.3
121.09326	1.0
121.10159	14.8
123.11725	5.5
131.08582	2.8
132.09337	0.9
133.10144	45.3
134.10399	0.8
135.11667	4.4
145.10132	5.6
147.11700	64.2
153.53230	0.7
159.11696	3.5
160.12471	2.6
161.13275	26.3
175.14836	9.3
188.15607	1.5
203.17981	69.2
204.18417	1.1
215.72766	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03936	2.1
55.05516	10.5
57.07073	3.6
60.04520	2.3
60.72472	1.2
65.03951	1.2
67.05165	1.7
67.05511	25.6
69.07074	15.3
71.13868	2.2
74.70792	1.0
79.05493	12.2
79.82788	1.1
81.07064	40.1
81.88914	1.0
83.08618	4.9
85.02935	1.1
89.03938	1.2
91.05479	14.9
93.07051	21.5
95.04964	1.1
95.08615	66.1
103.05468	2.1
105.07039	59.8
107.08605	37.3
109.10166	47.5
110.89610	1.2
116.04955	1.3
117.07036	2.2
119.08591	55.2
121.06530	1.3
121.10155	19.9
123.11726	9.1
126.05572	1.3
128.06264	1.7
129.07001	2.0
131.08560	5.3
133.06462	1.8
133.10143	48.6
135.08087	6.3
135.11726	6.5
143.08557	4.8
145.10155	6.5
146.07278	7.1
147.04378	1.4
147.08023	7.8
147.11694	63.4
148.12157	1.3
157.10222	1.5
159.08096	4.0
159.11700	5.2
160.08832	1.6
160.12407	2.2
161.09634	63.3
161.13268	23.2
172.03932	2.4
173.09590	3.1
173.13300	2.1
174.10364	3.4
175.03914	5.1
175.07567	1.6
175.11195	4.0
175.14835	11.9
185.13255	3.6
188.11935	3.8
203.03293	2.8
203.07037	1.6
203.10689	5.0
203.14352	58.0
203.17973	100.0
203.21974	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	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.53658	1.0
53.03946	1.3
55.05518	9.4
57.07076	5.4
65.03946	1.0
67.05513	17.7
69.07076	16.0
69.57469	7.9
69.83934	0.9
79.05497	8.8
81.06582	1.2
81.07067	28.0
83.08615	3.9
91.05486	19.3
93.07048	16.1
95.08617	40.1
96.08930	1.1
97.10188	1.5
98.21497	1.3
105.07040	100.0
107.08606	22.0
109.10163	33.0
117.06992	1.5
119.08595	53.1
121.10155	17.8
123.11704	9.6
131.08568	4.4
133.10139	51.0
135.11716	5.7
145.10114	5.8
147.11700	72.6
148.12466	1.0
159.11707	3.6
160.12483	2.4
161.13272	22.1
174.14101	1.8
175.14839	9.2
203.17984	79.6
204.18309	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	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05523	9.9
57.07071	3.3
59.16964	1.3
61.00336	1.3
67.05520	14.7
69.06727	1.3
69.07072	15.9
69.57782	4.1
69.58199	4.6
77.72640	1.1
79.05511	8.8
81.07067	32.6
83.08601	4.5
91.05488	18.7
91.57100	1.4
93.07052	18.8
95.04996	1.7
95.08616	54.3
95.49841	1.1
97.10152	1.2
105.07043	100.0
107.08615	28.0
109.10165	34.3
117.07043	1.3
119.08595	51.3
121.10153	22.8
123.08716	1.2
123.11717	7.7
131.08551	2.9
133.10146	62.4
135.11725	5.8
145.10132	5.6
146.97556	1.2
147.11699	66.4
153.46352	1.2
159.11714	3.1
160.12428	2.4
161.13281	25.9
175.14853	10.3
180.45700	1.2
185.13219	1.4
203.17975	89.1
211.90833	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.59435	1.0
53.03946	2.0
55.05510	10.6
57.07071	3.4
67.05506	17.0
69.07071	18.9
69.29775	12.8
76.17623	1.2
76.74956	1.4
79.05495	8.9
81.07062	38.6
83.08617	4.7
89.87875	1.4
91.05486	15.8
93.07045	17.6
95.08609	36.1
97.10158	1.9
105.07036	69.2
107.07877	1.5
107.08600	24.6
109.09463	2.5
109.10166	43.7
117.07065	3.1
119.08585	61.7
121.10149	15.2
123.11720	27.8
131.08557	6.3
133.10139	41.4
135.11687	3.7
141.08344	1.2
145.10130	10.2
147.11696	82.3
159.11681	4.3
160.12463	7.7
161.13268	22.5
161.39507	1.1
175.14806	4.8
198.03130	1.3
203.17970	100.0
204.18422	1.5
207.91048	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03954	1.8
55.05513	12.4
57.07063	3.0
62.26251	1.2
67.05508	18.5
67.53743	1.3
69.07072	16.5
69.34995	2.3
69.35396	10.0
79.05491	7.7
81.07063	24.9
83.08621	4.5
91.05480	19.6
93.07058	17.3
95.05819	1.2
95.08617	44.5
97.10178	2.0
104.18790	1.1
105.07041	72.8
107.08601	23.8
109.06511	1.2
109.09454	2.3
109.10169	33.3
117.06994	3.1
119.08592	54.3
121.10144	15.9
123.11716	9.6
126.05619	1.3
131.08580	3.7
133.10141	61.8
135.11676	4.3
144.98093	1.3
145.10129	5.0
147.11696	64.8
159.11662	4.0
160.12469	3.8
161.09645	3.0
161.13280	28.4
174.14125	2.1
175.13489	1.3
175.14853	9.2
185.13329	1.8
203.14334	4.3
203.17975	100.0
204.13824	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05517	8.2
57.07066	3.0
60.01430	0.8
60.04519	0.9
67.05509	12.8
69.03423	1.3
69.06767	1.0
69.07070	10.9
70.84366	2.4
79.05499	9.5
81.07065	16.4
83.08596	3.0
84.04484	1.1
91.05482	13.7
93.07049	13.1
95.04972	1.7
95.08614	27.6
97.10168	2.1
97.22371	0.9
103.05485	1.0
105.07035	48.1
107.08596	17.2
109.06540	1.3
109.10169	21.8
110.24179	1.0
117.07008	3.6
119.08585	49.6
121.10143	9.5
123.11701	3.1
128.06219	2.9
129.77472	0.7
131.08571	13.8
133.06514	2.4
133.10136	54.3
135.08066	11.8
135.11705	3.1
142.07785	1.4
143.08571	4.7
145.06485	2.5
145.10147	6.4
146.07281	9.3
147.08067	13.2
147.11690	36.9
157.10110	2.0
159.08072	5.5
159.11703	4.8
160.08862	2.9
160.12416	1.8
161.09630	100.0
161.13261	20.4
162.09941	1.1
170.10945	2.0
173.09654	5.8
173.13313	7.0
174.10443	6.4
174.13989	1.9
175.09711	0.7
175.11154	5.2
175.14812	8.9
185.13237	3.3
188.11954	4.7
203.14334	97.0
203.17963	71.3
204.14598	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	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03931	0.9
55.05521	5.9
57.07068	2.8
57.26939	0.7
60.04527	6.6
65.03943	0.9
67.05510	10.3
67.06254	0.7
68.05021	1.1
69.03437	1.8
69.07072	8.6
70.06566	0.7
79.05495	7.2
81.03395	0.7
81.07064	23.8
83.08622	2.9
84.04519	4.9
85.02883	0.8
91.05482	12.3
93.07057	8.6
94.29603	0.7
95.05009	1.4
95.08612	25.3
96.04488	1.1
96.43664	0.7
97.02881	2.4
98.21523	1.6
100.48086	0.8
103.05434	1.2
105.07038	36.1
106.07371	0.8
107.08596	14.4
107.74371	0.7
109.06517	1.5
109.09448	1.3
109.10164	17.7
110.05997	0.8
114.05496	1.8
115.05441	1.8
117.07021	2.6
119.08588	36.8
121.06525	2.4
121.10152	9.8
123.11727	3.8
126.05536	5.5
128.06210	4.4
129.07002	2.6
130.06532	1.8
131.08566	4.7
132.09326	0.9
133.06500	4.7
133.10133	33.1
135.08061	11.9
135.11710	3.2
138.05521	0.9
142.07797	2.6
143.08586	6.0
144.06604	0.9
145.06520	3.6
145.10130	8.0
146.07268	8.9
146.10864	1.2
147.04370	1.0
147.08073	10.3
147.11700	34.3
148.11975	1.0
157.06447	1.5
157.07599	1.8
157.10146	3.3
159.08049	5.4
159.11732	3.6
160.08818	3.9
160.12488	3.3
161.09630	100.0
161.13248	14.0
162.09979	1.8
170.10928	1.4
171.09196	0.9
172.08829	2.4
173.09666	4.6
174.10484	5.7
175.07504	1.8
175.11220	5.7
175.14827	4.7
185.04630	1.3
185.09619	1.1
185.13228	4.0
188.08322	5.5
188.11964	5.9
203.07008	2.4
203.10741	9.9
203.14334	85.5
203.17961	49.0
204.06647	1.2
204.08607	2.5
204.13780	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	203.1431
Annotation	Anisoxide
Peak:m/z	Relative Intensity
51.02374	0.4
54.55846	0.3
55.01853	0.4
55.05516	2.6
57.07069	0.8
60.04528	1.6
62.25204	0.4
67.05508	5.2
69.03441	1.0
69.07075	3.2
79.05502	3.7
81.07063	10.1
83.04985	0.5
83.08604	0.7
84.04510	0.9
91.05492	7.1
93.07047	4.7
95.04981	1.1
95.08618	13.5
95.09233	0.7
95.43536	0.4
95.46319	0.4
96.04481	0.5
98.21496	1.2
98.97623	0.4
100.87501	0.4
101.02393	0.4
103.05476	1.0
105.07040	21.8
107.04959	0.8
107.08601	8.0
109.06519	1.2
109.10158	7.4
111.04476	0.4
114.05499	0.4
115.05464	4.3
117.07024	2.5
119.08591	26.1
120.96506	0.5
121.06538	2.1
121.10139	4.0
123.04443	1.6
123.11716	1.3
126.05520	1.3
128.06227	3.7
129.07048	3.0
131.04944	0.9
131.08563	5.3
133.06499	3.0
133.10141	23.1
135.08069	12.1
135.11685	0.8
141.06958	0.9
142.07755	2.3
143.04939	6.5
143.08589	7.0
144.09375	0.7
145.06471	2.7
145.10143	3.6
146.07291	10.2
147.04413	1.7
147.08064	17.1
147.11702	12.8
148.05208	0.7
149.05983	0.6
149.09628	0.7
155.08585	0.6
156.09377	0.5
157.06503	0.5
157.10133	5.3
159.08078	6.3
159.11688	2.7
160.05197	0.9
160.08855	3.5
160.12454	0.7
161.06026	8.4
161.09634	100.0
161.13239	5.2
162.06732	0.7
162.10010	1.6
170.07272	0.5
170.10933	1.8
171.09180	1.4
173.09639	6.1
173.13292	2.0
174.06792	0.5
174.10434	6.1
175.07587	1.6
175.11206	5.9
175.14804	3.3
185.04518	1.4
185.09682	2.5
185.13281	7.7
188.11980	7.0
203.07066	1.6
203.10815	6.2
203.14339	97.7
203.17960	16.6
204.08667	0.6
204.14572	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	203.1432
Annotation	Anisoxide
Peak:m/z	Relative Intensity
53.45856	0.7
55.05510	1.1
57.03417	0.8
57.07085	0.9
64.15649	0.7
67.05502	2.5
69.07065	1.8
69.43078	4.6
69.43480	2.0
76.69559	0.7
76.92517	0.7
79.05489	2.5
81.07060	4.8
91.05482	5.8
93.07037	3.5
95.08603	6.7
95.66834	0.7
105.06379	1.2
105.07043	14.6
107.08604	4.1
109.10172	7.0
117.07013	1.2
119.08595	13.8
121.06486	0.8
121.10136	2.2
123.11723	1.0
128.06247	1.6
131.04951	0.8
131.08580	2.5
133.06505	4.2
133.10147	14.5
135.08063	12.6
135.11681	1.2
143.08568	2.8
145.06506	2.4
145.10165	1.8
146.07277	10.9
147.08080	6.2
147.11716	10.7
149.09608	0.9
157.10208	0.8
159.08067	5.4
159.11687	1.0
160.08873	3.3
160.12468	0.8
161.09634	100.0
161.13184	3.6
162.09903	1.3
170.10977	1.1
173.09659	5.4
174.10439	6.5
175.11176	4.3
175.14882	1.8
188.11975	5.1
203.14339	75.6
203.17906	9.0
204.14757	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	203.1431
Annotation	Anisoxide
Peak:m/z	Relative Intensity
53.03934	0.6
55.05513	4.0
57.07074	1.0
60.04514	1.7
61.20424	0.4
62.63511	0.4
67.05507	3.6
67.52670	0.4
68.05037	0.5
69.03436	0.7
69.07074	3.0
69.46625	1.1
69.47044	2.3
79.05499	4.0
81.07059	8.1
82.91193	0.4
83.08630	1.5
84.04498	1.5
85.02914	0.5
91.05482	7.0
91.39212	0.4
93.07035	3.5
95.04968	0.6
95.08614	10.8
96.04505	0.5
97.02895	0.8
105.07037	21.8
107.08602	7.4
109.06545	0.6
109.10168	7.1
114.05519	0.5
115.05508	0.5
117.07011	1.2
119.08588	21.4
121.06517	2.0
121.10161	5.4
123.11713	1.3
126.05524	1.3
128.06212	1.7
129.06973	0.9
131.08575	3.2
133.06523	3.5
133.10133	29.9
135.08057	10.6
135.11674	0.8
141.06888	0.5
142.07770	0.8
143.08568	4.1
145.06502	1.6
145.10149	3.8
146.07277	10.0
147.08051	6.2
147.11696	15.6
149.09587	1.0
152.75208	0.4
157.10152	1.4
159.08087	6.0
159.11694	2.1
160.08853	2.7
160.12469	1.3
161.09627	100.0
161.13242	7.0
162.09953	1.7
170.10957	0.8
171.09152	1.1
173.09641	4.7
174.10432	6.8
175.11162	4.4
175.14833	3.9
185.13252	1.7
188.11951	5.1
203.14331	74.3
203.17970	24.3
204.08624	0.8
204.14438	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	203.1432
Annotation	Anisoxide
Peak:m/z	Relative Intensity
53.03963	0.8
55.01868	0.5
55.05515	3.4
56.05046	0.6
57.07065	1.7
60.04518	2.2
67.05508	4.1
69.03416	1.2
69.07072	4.2
71.60245	0.8
73.02432	0.5
76.46519	0.5
79.05505	4.4
81.07056	8.9
83.04974	0.8
83.08614	1.4
84.04502	2.8
85.02877	0.9
91.05484	7.0
93.07053	5.8
95.04952	0.6
95.08614	11.3
96.04498	1.3
97.02892	1.7
97.10213	0.6
98.06001	0.7
100.07590	0.6
103.05492	0.7
105.07036	29.7
107.04948	0.7
107.08601	7.0
109.06509	0.9
109.10162	7.0
114.05510	1.2
115.05464	1.2
117.07022	1.9
119.08587	23.8
121.06495	1.4
121.10137	4.3
123.11710	1.6
126.05526	2.8
128.06250	3.4
129.06956	1.1
131.04935	0.5
131.08560	2.8
133.06479	3.5
133.10136	23.9
135.08060	11.8
135.11728	1.1
142.07745	1.0
143.08588	4.0
144.06624	0.6
145.06490	1.7
145.10126	4.3
146.07275	10.4
147.08055	13.9
147.11694	18.7
149.09637	0.8
157.10130	2.4
159.08072	5.5
159.11710	2.1
160.08875	3.8
160.12486	1.0
161.09627	100.0
161.13249	7.2
162.10008	1.2
170.10931	1.1
171.09227	1.1
173.09647	4.7
173.13300	0.8
174.10417	6.7
175.11192	5.4
175.14757	2.7
179.97664	0.6
185.04536	0.6
185.09863	0.5
185.13293	3.0
188.08403	0.6
188.12003	5.0
203.10609	2.6
203.14330	93.9
203.17950	20.2
204.08733	1.3
204.13771	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	203.1432
Annotation	Anisoxide
Peak:m/z	Relative Intensity
51.02396	0.3
51.32784	0.2
52.63774	0.2
53.03957	0.4
55.01895	0.2
55.05524	0.5
57.03446	0.3
57.07079	0.4
67.05505	0.8
69.03434	1.0
69.07056	0.5
79.05492	2.2
81.07059	3.7
81.83312	0.2
91.05494	2.4
93.07049	1.5
95.04932	0.3
95.08609	3.0
98.21542	0.5
100.26182	0.2
101.80399	0.2
105.07043	8.0
107.04912	0.3
107.08598	2.0
109.10154	1.6
115.05486	0.5
117.06995	0.5
119.08585	8.7
121.06505	1.5
121.10149	0.5
127.05192	0.3
128.06221	1.9
129.06987	0.4
131.04956	0.5
131.08582	2.3
133.06496	3.3
133.10143	10.8
135.08066	11.7
141.06982	0.4
142.07800	0.8
143.08560	3.4
145.06503	2.0
145.10167	1.4
146.07274	9.9
147.08063	7.3
147.09230	0.4
147.11700	2.9
149.09653	0.8
155.08582	0.6
157.10168	0.8
158.07239	0.3
159.08057	5.4
159.11668	0.4
160.08858	3.5
161.09627	100.0
162.09920	1.8
170.10928	0.8
171.09166	1.3
173.09642	5.1
173.13275	0.6
174.10405	7.6
175.11194	4.7
175.14780	1.6
185.13263	1.3
188.11966	5.4
203.14326	76.3
203.18021	3.6
204.14751	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	203.1433
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03947	1.0
55.01858	0.9
55.05515	8.9
57.07072	2.4
58.30419	0.8
60.04520	2.0
65.03949	0.7
67.05511	8.4
69.03426	1.7
69.07078	11.1
70.62158	1.7
79.05499	7.3
81.07064	14.7
83.04980	1.0
83.08622	2.4
84.04510	1.8
91.05489	19.4
93.07055	12.3
93.93043	0.8
95.04971	4.0
95.08614	23.7
96.04513	1.0
97.06490	1.2
97.10152	0.7
101.78458	0.7
103.05504	1.8
105.07040	48.9
106.07408	0.9
107.04933	1.1
107.08607	17.5
109.06532	4.1
109.10175	10.2
115.05441	2.5
116.12583	0.7
117.07024	24.0
119.08593	69.1
121.06535	2.6
121.10155	9.2
123.08038	1.4
123.11719	2.4
126.05521	2.2
128.06221	3.8
129.07022	7.7
130.07785	1.8
131.08582	47.3
131.72278	0.7
132.05696	0.7
132.09239	0.9
133.06473	2.7
133.10143	58.5
134.09636	0.7
135.08067	5.0
135.11699	1.7
137.11110	0.9
141.06938	1.1
142.07785	4.7
143.08572	13.4
144.09360	3.7
145.05130	0.8
145.06476	2.4
145.10129	14.9
146.07263	3.4
146.10855	1.6
147.08057	20.5
147.11699	27.7
155.08566	2.6
156.09370	2.5
157.10124	10.8
158.10901	0.9
159.08099	4.9
159.11716	22.1
160.08856	3.1
160.12369	0.9
161.09636	46.3
161.13275	19.0
162.10004	1.0
170.10933	6.2
173.09618	3.3
173.13278	30.0
174.10423	5.8
174.13989	1.7
175.11276	5.0
175.13281	0.9
175.14842	29.2
185.13277	15.6
188.11977	5.1
203.10568	2.4
203.14337	100.0
203.17976	32.3
204.14613	1.6
205.96968	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	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03958	0.4
54.29451	0.4
55.05510	2.3
57.07080	1.5
58.30961	0.3
58.61726	0.3
60.04518	0.8
67.05514	2.6
69.03444	0.7
69.07073	2.7
69.94987	0.5
69.95387	0.9
78.77112	0.3
79.05499	1.3
81.07062	6.6
83.08614	1.0
84.04497	0.8
91.05483	5.2
93.07063	3.2
95.08608	8.3
97.02893	0.7
103.05457	0.7
105.07037	21.2
107.08599	3.8
109.06509	0.3
109.10168	6.5
115.05428	0.4
117.07029	1.0
119.08589	35.5
120.08886	0.5
121.06503	0.9
121.10151	2.9
123.11707	1.0
124.40843	0.3
126.05490	0.9
128.06218	1.3
131.08548	2.0
133.10141	15.4
135.08067	5.7
135.11697	0.7
142.07773	0.4
143.08566	2.0
145.06491	0.7
145.10133	2.1
146.07271	3.0
147.08055	33.4
147.11693	14.0
148.08456	0.5
155.08575	0.4
157.10114	0.7
159.08047	3.0
159.11763	0.8
160.08890	1.7
160.12483	0.7
161.09628	41.0
161.13246	5.2
162.09995	0.8
170.10901	0.7
171.09198	0.7
173.09634	2.9
173.13318	0.4
174.10419	5.1
175.11189	2.5
175.14844	3.1
185.09630	0.3
185.13319	1.8
188.11978	3.8
203.14333	100.0
203.17928	15.6
204.08469	0.3
204.14822	2.0
209.24568	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	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03931	0.9
55.05511	4.2
57.07068	2.0
59.04987	0.5
60.04515	1.4
65.03934	0.7
67.05515	6.1
69.03420	1.2
69.07074	5.4
70.07352	0.5
71.58570	0.6
77.03929	0.6
79.05510	5.2
81.07060	13.1
83.04942	0.5
83.08618	1.9
84.04510	1.0
91.05489	8.8
93.07040	7.2
95.04920	0.5
95.08616	17.4
97.02856	0.6
97.10162	0.6
102.44989	0.5
103.05459	1.0
105.07041	28.4
106.07375	0.5
107.04969	0.7
107.08604	10.4
109.06528	0.9
109.10168	11.3
110.04906	0.5
114.05560	0.6
115.05508	0.7
116.05027	0.6
117.07039	2.2
119.08592	27.9
121.06506	2.1
121.10170	7.9
123.11713	2.2
126.05510	1.6
128.06247	2.5
129.06993	1.2
131.04973	1.2
131.08607	6.1
133.06508	3.9
133.10144	30.1
135.08061	11.7
135.11723	2.7
141.07108	0.6
142.07773	1.6
143.08588	5.6
144.04456	0.8
145.06514	1.6
145.10126	5.9
146.07281	10.2
147.04407	0.7
147.08061	9.7
147.11705	23.0
149.09593	0.7
157.10136	3.4
159.08083	5.8
159.11684	2.2
160.08849	3.4
160.12474	1.6
161.09633	100.0
161.13254	8.8
162.09981	1.3
170.10933	1.4
171.09207	1.7
172.03966	2.3
173.09619	6.0
173.13255	2.9
174.10437	6.8
174.14101	0.5
175.07503	0.8
175.11217	5.6
175.14856	5.3
185.04460	0.9
185.09584	0.6
185.13295	4.2
188.08257	1.0
188.11995	5.6
198.95088	0.5
203.03430	0.7
203.10703	3.9
203.14339	91.0
203.17958	31.0
203.21844	2.6
204.06660	1.1
204.08545	1.0
204.14502	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	203.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.05506	1.3
57.07082	0.9
60.04520	0.8
65.03944	0.4
67.05515	2.0
69.03429	1.0
69.07070	2.1
69.44821	2.8
79.05499	3.1
81.07064	6.4
83.01392	0.4
84.04532	1.0
91.05483	3.8
92.66391	0.3
93.07050	3.2
95.08604	5.7
96.04465	0.7
97.02946	0.5
103.05508	0.6
105.07038	13.4
106.98778	0.4
107.08607	3.8
109.06509	0.6
109.10171	3.5
114.05514	0.6
115.05462	0.5
117.07024	2.2
118.07748	0.4
119.08585	18.2
121.06490	1.4
121.10161	2.6
123.11719	1.0
126.05528	1.1
128.06197	2.2
129.07050	1.5
131.04907	0.4
131.08606	3.3
133.06503	2.8
133.10138	14.9
135.08058	12.4
141.07014	0.9
142.07799	1.1
143.08563	5.0
145.06496	2.2
145.10129	1.9
146.07271	8.8
147.08057	15.0
147.11697	8.1
147.12773	0.6
149.09625	1.0
155.08559	0.7
157.10101	1.8
159.08073	6.5
159.11728	1.7
160.08855	3.5
160.12431	0.5
161.09628	100.0
161.13219	3.4
162.09938	2.0
170.10933	1.4
171.09161	0.9
172.03903	0.6
173.09647	6.4
173.13313	1.0
174.10402	7.4
175.11174	5.8
175.14798	2.4
185.04391	0.7
185.13281	3.0
188.11975	5.2
203.14330	97.2
203.17865	9.1
204.14613	1.5
206.96498	0.4
221.80817	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	202.0864
Annotation	Quinoline-2-methanol acetate
Peak:m/z	Relative Intensity
55.01884	0.4
64.23510	0.2
68.00882	0.3
69.80271	0.5
69.80661	0.8
71.04988	0.3
79.01986	0.2
85.27348	0.2
89.03896	0.3
91.05497	0.6
96.04567	0.3
105.07022	0.3
115.05463	4.4
116.04991	0.3
116.06252	0.4
117.05775	3.4
118.06548	0.3
129.07027	0.6
130.06517	1.5
131.08578	0.3
132.08104	1.8
142.06532	7.5
143.07321	11.1
144.04453	5.7
145.05240	10.7
146.10497	0.4
156.08093	1.2
158.09691	1.3
160.07587	100.0
161.07948	1.7
170.06026	17.2
173.08415	0.5
174.09154	0.7
184.07602	0.3
188.03789	0.5
202.08644	11.5
202.12419	0.9
202.16719	0.6
216.18471	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	203.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.1
62.19656	1.3
69.03454	1.6
70.06592	23.2
70.76980	3.8
71.06116	5.4
72.08142	2.0
73.02922	2.1
85.02894	2.5
86.59271	1.7
88.08755	5.0
101.00890	10.8
105.56670	1.6
110.24518	1.7
115.08669	1.9
116.07090	10.2
119.01941	18.5
131.01898	2.2
143.01929	14.0
158.12924	5.9
161.02988	27.0
173.02905	2.7
185.02989	1.6
203.05296	100.0
203.15039	12.0
214.90695	1.7
217.44467	1.7
221.05104	1.7
224.71838	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	203.0703
Annotation	2,2',3-Trihydroxybiphenyl
Peak:m/z	Relative Intensity
52.55196	0.3
53.03958	0.4
55.01880	0.5
55.05510	1.0
57.07080	0.4
60.04528	1.7
67.05508	1.2
69.03418	0.7
69.07070	3.0
69.56967	1.3
69.57398	1.3
72.25117	0.5
76.82256	0.4
79.05496	1.8
81.07049	1.7
83.04983	0.4
84.04494	0.6
85.02941	0.5
89.03909	0.6
91.05485	3.2
92.09121	0.3
93.07050	1.6
95.04984	0.4
95.08611	3.1
96.04551	0.4
97.02927	0.6
103.05483	1.3
104.06228	1.1
105.07041	5.4
107.04942	0.6
107.08583	2.4
109.06496	0.4
109.10159	1.9
115.05462	12.9
115.06271	0.7
116.04980	1.3
116.06264	0.4
117.07034	4.7
119.08581	5.8
119.09357	0.5
121.06566	0.4
121.10165	1.6
123.08067	0.4
126.05518	1.0
127.05432	0.4
128.06238	1.7
129.06996	2.3
130.06514	0.8
131.04956	2.6
131.08566	1.5
132.04726	0.7
132.05717	12.1
133.06476	1.1
133.10138	4.2
135.11684	0.6
141.07010	0.3
142.07787	1.4
143.04936	8.5
143.08546	1.7
144.04453	1.8
144.05547	0.6
144.08115	0.6
145.06505	4.3
145.10133	1.5
147.04459	1.4
147.08044	2.5
147.11713	4.3
155.06105	0.7
157.06490	1.6
157.07605	0.7
157.10158	2.5
159.02884	0.5
159.04308	0.4
159.08130	0.5
159.11739	1.1
160.05205	71.9
161.05643	1.6
161.09613	1.9
161.13297	1.5
162.05510	1.0
170.10942	0.7
171.04436	0.6
172.03967	4.6
173.05988	1.1
173.13275	0.5
175.07558	40.8
175.14850	1.0
176.07838	0.4
185.06004	0.4
185.09666	0.9
185.13284	1.4
188.04704	8.1
188.08289	0.9
203.07037	100.0
203.10832	3.3
203.14310	5.4
203.17982	5.4
204.07263	1.9
204.13727	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	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03936	0.6
55.05517	2.2
57.07077	1.8
67.05514	2.5
69.07068	2.3
71.08628	0.4
71.59151	0.5
78.74348	0.3
79.05507	2.9
81.07063	6.1
84.71766	0.3
91.05488	6.2
93.07048	4.7
95.08609	6.9
99.20551	0.4
103.05473	0.6
105.07036	9.5
107.08596	6.5
107.09278	0.5
109.06531	0.5
109.10164	1.3
115.05475	1.2
116.06258	1.9
117.07035	5.9
118.96780	1.1
119.08585	7.1
121.10145	3.1
128.06204	1.6
129.07007	2.8
130.07808	4.0
131.08577	56.2
132.08951	0.7
133.10144	9.9
137.05984	0.4
142.07799	1.2
143.08566	4.2
144.09372	3.5
145.10135	38.4
146.10837	1.3
146.80829	0.3
147.11633	1.1
154.96521	0.4
157.10133	10.3
158.10938	2.4
159.11703	46.0
160.12228	0.7
171.11717	4.6
172.12488	6.5
173.13277	17.3
177.98074	0.6
183.11803	0.4
184.06229	0.4
185.13182	0.4
186.14052	11.3
199.14821	0.8
201.16397	100.0
202.16762	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	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	3.0
57.93562	1.9
65.83256	1.7
68.12498	1.6
69.56845	1.7
70.14734	6.9
91.97490	1.9
101.00889	24.0
114.95660	3.3
116.98586	2.7
119.01926	100.0
119.96819	2.2
120.02069	2.8
124.02473	2.0
132.96671	6.1
137.02972	30.1
138.03168	1.8
142.03505	30.9
160.04579	12.7
161.02982	23.0
173.08372	3.6
178.05598	2.1
178.95874	1.7
178.98308	2.6
179.04033	32.3
184.04517	2.7
202.12309	5.6
217.44748	1.7
220.02118	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05501	1.1
57.07076	1.1
62.70475	0.6
65.69961	0.7
66.12978	0.6
67.05492	2.3
69.07047	2.4
70.94630	1.6
73.08694	0.8
75.50975	0.7
79.05473	2.4
81.07042	4.3
85.95132	0.7
91.05482	7.0
93.07037	2.9
95.08611	6.5
105.07028	6.8
107.08606	5.1
116.06223	1.8
116.98632	0.6
117.07008	4.8
118.96650	0.7
119.08587	7.2
121.10161	2.4
129.06995	2.4
130.07755	3.4
131.08572	61.9
132.08922	0.8
133.10136	11.0
142.07785	1.0
143.08530	4.3
144.09346	3.1
145.10127	35.1
146.10818	0.7
155.66899	0.7
157.10130	10.4
158.10889	2.9
159.11694	46.5
160.12129	0.8
160.92549	0.7
171.11673	4.4
172.12492	5.8
173.13268	17.7
186.14070	6.9
201.16385	100.0
202.16685	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	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.61198	0.7
53.03941	1.9
55.05522	4.2
57.07068	1.4
63.65998	0.7
66.54488	0.8
67.05510	7.2
68.21117	0.8
69.03427	0.8
69.06751	0.6
69.07077	5.3
69.38266	4.6
69.38674	1.4
77.58178	0.7
79.05499	8.5
81.07064	16.8
81.49009	0.7
83.08611	0.8
91.05485	11.9
93.07047	17.3
95.04967	1.5
95.08618	15.1
105.07043	24.0
107.08600	22.4
109.06518	0.9
109.10159	5.7
115.05450	2.0
116.06246	1.0
117.07031	11.7
118.96755	1.7
119.07794	1.3
119.08590	18.3
121.10165	11.1
124.09053	0.8
129.07008	5.6
130.07813	6.8
131.08575	42.9
133.10139	10.6
141.06995	2.2
142.07759	1.6
143.08583	4.7
144.09346	4.3
145.06494	1.8
145.10135	64.2
146.10797	2.3
147.11707	1.0
153.06932	0.9
157.06496	0.8
157.10141	7.2
158.07251	1.5
158.10918	2.3
159.08063	2.3
159.11703	52.9
160.12355	1.1
171.11668	3.4
172.12468	2.4
173.05986	1.7
173.09656	1.4
173.13300	15.8
182.17303	0.8
183.11821	1.8
185.01207	1.1
185.63216	0.8
186.10425	1.4
186.14110	2.1
199.14909	1.2
201.05396	4.1
201.09135	5.5
201.12770	8.5
201.16402	100.0
202.16788	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	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03936	0.7
55.05518	3.0
55.41829	0.4
57.07066	1.3
62.38359	0.4
67.05505	3.3
69.07066	4.5
70.75372	0.6
70.75712	0.8
71.08640	0.6
79.05492	4.1
81.07055	6.8
83.04965	0.4
83.08646	0.5
85.02905	0.5
91.05476	8.1
93.07048	8.6
95.04990	0.8
95.08609	8.3
102.04711	0.4
103.05479	0.8
105.07035	13.2
107.08591	9.5
109.06532	0.4
109.10177	1.7
115.05457	1.8
116.06219	0.8
117.07025	8.2
118.96770	0.9
119.08582	10.1
121.06528	1.3
121.10148	4.2
127.03911	0.9
128.06227	1.5
129.07019	3.4
130.07799	3.4
131.08572	44.3
133.10136	6.6
141.07048	1.4
142.07780	1.3
143.08554	5.1
144.09351	4.4
145.06488	4.0
145.10129	48.2
146.07275	1.1
146.10806	1.7
147.08086	1.5
147.11697	1.1
153.07045	0.6
154.96477	0.5
155.08582	2.2
157.10126	7.1
158.03668	1.3
158.07265	1.8
158.10938	2.7
159.08073	13.1
159.11696	39.3
160.08890	2.2
160.12196	0.9
161.09613	0.4
168.09415	0.6
171.08119	2.8
171.11714	3.6
172.08852	4.3
172.12456	3.4
173.05980	1.2
173.09636	6.3
173.13271	18.7
183.11755	1.6
184.09007	0.5
186.03073	0.7
186.10522	5.4
186.14063	3.9
199.11165	0.6
199.14796	0.7
201.05457	4.0
201.09294	2.0
201.12787	48.7
201.16386	100.0
202.13029	1.0
202.16750	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	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03944	0.8
55.05497	2.1
57.07073	2.3
65.34382	0.6
67.05504	3.1
69.07070	3.2
71.58892	1.0
79.05497	4.2
81.07058	6.0
83.08614	0.6
89.99694	0.6
91.04956	0.9
91.05489	9.9
93.07046	6.0
95.04948	0.6
95.08613	6.9
105.07035	11.8
106.95425	0.6
107.08599	8.6
109.10161	1.9
112.54752	0.5
115.05448	1.5
116.06226	1.4
117.07025	8.0
118.56532	0.6
118.96761	1.2
119.08586	9.7
120.08104	0.5
121.10139	3.0
128.06236	1.5
129.06996	4.8
130.07790	4.2
131.08577	55.2
132.08902	0.7
133.10152	12.6
141.07005	0.6
142.07784	2.5
143.08586	6.7
144.09349	4.4
145.06519	0.9
145.10132	38.6
146.10847	1.6
147.11696	1.2
153.06921	0.7
155.08598	0.9
157.10123	12.3
158.10930	3.3
159.08070	2.4
159.11702	52.9
160.12141	0.7
168.09286	1.4
171.11676	5.3
172.12459	5.2
173.09671	1.1
173.13277	17.5
177.98151	1.1
183.08133	0.7
183.11690	1.8
184.20544	0.7
186.10539	1.2
186.14076	7.6
201.09125	1.8
201.12833	9.8
201.16400	100.0
202.16728	2.6
202.21649	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
50.84813	0.6
52.46127	0.6
53.03937	0.9
55.05499	1.2
57.07070	1.1
58.17515	0.6
67.05487	2.5
69.07079	1.3
69.10936	0.6
69.52826	3.1
69.53242	1.6
70.06588	0.7
79.05497	2.8
81.07063	6.7
88.07600	1.0
89.07944	0.8
91.05481	6.7
93.07040	4.9
95.08602	3.5
103.05435	0.9
105.07033	10.7
107.08591	5.0
109.10154	1.8
115.05437	1.9
116.06222	1.3
117.07023	6.1
119.08575	5.7
121.10134	2.2
127.03867	0.9
128.06215	0.8
129.07027	4.0
130.07806	5.1
131.08574	65.9
133.10126	5.8
142.07742	1.8
143.08572	4.2
144.09311	3.2
145.06468	1.1
145.10126	28.0
146.10838	1.0
147.11679	0.7
155.08528	1.4
157.10133	15.3
158.10857	1.7
159.11697	64.1
160.12030	1.3
171.11748	3.4
172.12479	8.5
173.05963	1.1
173.13269	19.9
186.10541	0.9
186.14047	1.9
201.05507	1.8
201.09103	2.2
201.12759	4.7
201.16393	100.0
202.16737	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	200.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78255	1.5
53.03946	1.8
55.05501	5.2
56.96556	5.5
57.03431	4.6
59.04994	3.0
59.93105	2.5
61.02929	6.9
67.05502	3.8
68.05012	2.0
69.03421	3.3
69.07057	4.1
70.06596	81.7
71.04995	29.8
71.57852	2.0
72.08160	14.2
74.09706	3.4
74.26669	1.3
75.10048	1.4
75.90453	1.3
79.05478	3.2
81.03439	1.6
81.07064	19.2
82.06566	1.8
83.04987	1.7
84.04490	2.3
84.08149	6.4
85.02909	2.5
85.06547	1.8
86.06066	1.6
87.08104	2.5
90.36386	1.4
90.94831	1.3
91.05479	2.7
94.06544	1.9
95.04970	4.4
96.05268	1.8
97.02863	3.1
97.06541	1.5
98.06062	3.3
98.97595	27.3
105.06998	1.4
110.01292	1.4
110.97585	1.5
111.04433	1.7
112.04807	1.4
112.07619	2.6
112.11252	2.0
113.06006	3.4
114.09200	1.6
116.97295	7.5
116.98628	27.1
117.05744	1.8
117.97601	2.7
118.96783	11.4
119.01850	1.7
122.06080	1.6
123.57981	1.5
124.11243	2.4
126.05595	1.3
126.12803	100.0
127.03951	2.3
127.13162	2.0
128.10719	1.5
130.06517	8.0
133.99117	2.6
134.99663	22.8
135.95660	1.5
137.05963	3.7
140.04634	2.1
140.07047	3.9
140.10721	48.1
141.05055	4.1
142.12286	64.9
145.10211	1.5
148.97708	2.3
152.96889	2.2
153.00713	5.4
153.96735	4.3
154.08620	4.2
154.96492	3.9
155.06065	7.4
156.06891	1.4
156.13873	2.3
157.07626	7.1
158.01299	1.5
164.06973	1.5
168.13838	12.2
173.07225	2.2
176.02121	1.4
176.98611	5.2
177.00786	2.4
177.98088	8.3
182.08139	2.6
182.11784	9.3
200.09093	4.4
200.11002	3.0
200.12834	77.1
200.16507	26.7
200.19014	8.9
201.06628	5.1
201.12840	2.9
201.16479	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	alpha-Corocalene
Peak:m/z	Relative Intensity
52.90368	0.4
55.05512	2.0
57.07058	1.5
59.34818	0.5
67.05505	3.2
69.07074	2.8
70.77977	0.8
71.08633	0.8
79.05503	3.4
81.07061	6.9
83.08626	0.5
86.96673	0.4
91.05483	7.6
93.07053	7.3
95.04974	0.5
95.08615	7.0
105.07037	12.0
107.08602	7.9
109.06483	0.6
109.10159	1.3
110.25723	0.5
115.05432	0.9
116.06240	0.8
117.07031	7.9
118.96730	0.8
119.08591	11.2
121.10128	3.5
127.03931	0.5
128.06229	0.8
129.07013	3.4
130.07787	3.5
131.08577	44.2
132.08899	0.8
133.09120	0.4
133.10144	8.4
137.05862	0.5
142.07819	1.5
143.08563	4.1
144.09363	4.2
145.10130	47.6
146.10614	0.8
147.11685	0.8
155.08548	0.8
157.10129	7.3
158.07237	0.4
158.10887	2.2
159.11702	45.3
160.12088	0.7
171.11696	3.9
172.12488	4.1
173.09756	0.6
173.13280	16.0
177.98099	0.5
183.11740	0.7
186.10416	1.1
186.14058	4.7
199.14862	0.8
201.12762	3.1
201.16397	100.0
202.16724	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	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41269	1.7
53.03950	3.4
55.01878	23.4
55.05516	16.0
56.05841	1.8
57.03431	6.2
57.07074	9.0
57.93551	2.1
64.84396	1.7
65.03945	2.6
67.05505	16.7
68.97807	2.0
69.03442	10.2
69.07071	62.7
69.75294	1.8
69.77569	9.7
70.06595	2.8
70.07409	2.7
71.04636	2.9
71.05000	31.5
72.04516	2.6
72.46230	2.0
73.02927	28.2
74.09729	23.3
79.05495	13.3
81.03410	2.3
81.07066	13.0
83.04984	6.4
83.08621	8.3
84.08936	1.8
85.02909	67.7
85.06559	5.2
86.06062	1.9
86.09720	6.0
91.05482	6.0
93.07054	38.1
95.04987	12.5
95.08609	6.1
97.06541	22.7
97.10207	2.2
98.20780	1.9
99.04462	14.6
100.07619	6.2
101.02390	63.4
105.07043	9.5
107.08588	15.2
109.06532	3.3
109.10167	6.8
111.04443	16.6
111.08062	5.3
113.06012	55.8
116.97243	19.3
117.07022	2.5
119.08600	16.9
121.06526	3.1
121.10152	100.0
123.08052	4.3
123.11719	2.1
125.02360	3.5
125.06000	59.4
127.07545	4.4
128.06238	5.0
129.06950	2.0
131.99619	3.5
135.08054	3.0
135.11668	15.0
137.06023	5.3
137.09613	4.9
139.03918	2.7
139.07547	2.3
139.11195	8.9
140.04662	10.9
141.06950	2.8
142.07813	3.1
143.08582	10.5
145.10146	8.8
152.96957	8.5
153.12753	16.7
155.07146	2.5
155.08447	3.3
156.09364	4.1
157.10144	8.6
163.11195	37.0
171.09227	3.8
171.11728	6.5
175.98538	12.5
181.07610	7.4
181.10080	2.1
181.10628	1.8
181.12271	21.1
182.08221	2.1
184.08838	3.2
199.05684	1.9
199.08907	3.1
199.11244	17.1
199.13252	5.8
199.14977	11.2
199.18913	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.5
57.95338	1.2
71.10620	1.6
71.95280	2.8
98.97595	100.0
116.98636	63.8
118.96695	1.1
119.01923	2.2
134.99669	28.8
140.00237	2.8
153.00742	2.6
158.01282	3.3
166.53250	1.4
169.63649	1.1
177.00839	3.4
199.18811	1.3
205.58966	1.2
211.19194	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	200.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96323	1.5
56.96567	15.5
57.03424	2.0
62.89004	1.3
69.03419	2.3
69.74877	5.9
70.06619	1.3
71.95262	1.8
73.02912	3.9
82.06584	1.6
84.96021	1.5
85.02901	2.8
97.02904	2.8
98.97589	100.0
110.01312	1.3
110.97555	2.7
116.98627	65.6
119.01839	2.7
128.07050	1.4
128.98627	2.5
134.99663	24.8
137.02853	1.3
140.00177	2.3
146.02316	2.0
153.00731	3.5
154.03574	1.4
158.01315	3.6
158.99655	4.2
161.02875	1.5
176.02385	2.1
177.00732	6.6
195.01878	2.6
199.18871	3.2
200.04164	2.5
200.09227	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	199.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01874	10.8
55.05516	54.8
57.03433	4.9
57.07088	1.6
57.77159	1.3
59.05009	6.6
67.05510	31.5
68.65791	1.2
69.03436	13.7
69.07076	26.3
70.07420	1.4
70.55217	4.3
71.04993	4.8
72.93800	1.3
74.09731	11.7
79.05491	14.0
81.07067	29.1
83.04987	19.1
83.08636	5.3
85.02916	3.7
85.06547	31.1
85.93099	1.3
91.05487	4.6
93.07047	26.1
95.04969	2.8
95.08608	9.0
97.06526	26.9
97.10167	1.5
99.04458	6.5
99.08104	4.6
100.07664	3.2
101.06023	40.7
105.07017	7.0
107.04970	1.6
107.08600	22.9
109.06548	10.3
109.10162	18.7
111.04453	9.4
111.08089	40.3
113.06010	5.6
115.05506	1.7
115.07573	1.9
116.97241	8.9
119.08582	6.7
121.06533	1.6
121.10155	46.1
121.11037	2.6
122.06026	1.5
122.44760	1.4
123.11723	7.2
125.06016	2.7
125.09621	2.3
127.07565	79.8
128.06261	2.6
129.05489	10.2
129.06972	2.9
135.11702	24.9
137.09612	3.6
139.07599	8.3
139.11188	100.0
140.04684	10.2
140.07079	2.0
140.11551	1.5
141.07024	1.8
142.07806	2.2
143.08560	6.7
145.10126	15.7
152.96928	2.8
153.05554	2.2
153.07010	1.6
153.12764	41.0
154.99515	1.4
155.07050	2.2
155.08481	1.7
157.10127	5.3
163.11206	22.2
171.11678	3.1
175.98491	8.2
181.12228	33.7
199.07503	2.1
199.11218	9.2
199.13313	19.8
199.14909	6.0
199.18910	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1119
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
53.03939	1.4
55.01880	4.1
55.05517	4.3
56.05820	0.6
57.07106	0.9
58.07386	0.8
67.05492	1.5
68.84621	0.5
69.03430	4.8
69.07069	3.5
69.44766	4.2
69.45184	1.1
71.04990	0.8
72.04503	1.2
74.09721	6.4
75.94627	0.7
78.86755	0.6
79.05502	7.0
81.07050	2.7
83.04995	1.1
83.08604	1.4
85.06538	1.2
86.09691	1.6
91.05493	4.3
93.07055	3.7
95.04960	2.8
95.08609	1.5
97.02870	0.6
97.06504	1.0
97.10167	1.0
100.07605	1.4
104.01141	0.6
105.07041	10.0
107.04959	4.1
107.08593	1.4
111.04417	1.9
115.05460	3.8
116.97233	3.8
117.07014	2.5
119.04958	0.7
119.08578	1.2
121.06519	3.3
121.10155	1.0
124.92432	0.6
127.05342	0.6
127.15019	0.7
128.06233	13.1
129.07022	17.2
130.07777	0.8
131.04944	1.1
131.08563	1.9
131.99561	0.7
133.06491	0.6
134.95821	0.6
135.82277	0.6
140.04703	4.5
141.06996	7.0
142.07784	12.0
143.08571	28.2
145.06471	2.3
152.96915	0.8
153.06981	4.1
154.07744	1.0
155.06004	1.1
155.07286	1.0
155.08543	5.2
156.09357	12.8
157.06509	8.0
157.10133	19.0
158.07275	6.0
159.08057	1.7
165.07018	14.6
166.07793	26.8
169.06467	5.3
169.10173	1.9
170.07256	1.9
170.10912	1.1
171.08072	11.6
171.11702	22.2
175.98547	2.6
179.08598	1.8
181.10126	20.5
183.08035	3.5
184.05280	1.6
184.08853	19.4
184.12381	0.9
197.09637	1.2
199.07649	3.5
199.11197	100.0
199.14867	11.1
199.18901	25.4
200.11591	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	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41269	1.7
53.03950	3.4
55.01878	23.4
55.05516	16.0
56.05841	1.8
57.03431	6.2
57.07074	9.0
57.93551	2.1
64.84396	1.7
65.03945	2.6
67.05505	16.7
68.97807	2.0
69.03442	10.2
69.07071	62.7
69.75294	1.8
69.77569	9.7
70.06595	2.8
70.07409	2.7
71.04636	2.9
71.05000	31.5
72.04516	2.6
72.46230	2.0
73.02927	28.2
74.09729	23.3
79.05495	13.3
81.03410	2.3
81.07066	13.0
83.04984	6.4
83.08621	8.3
84.08936	1.8
85.02909	67.7
85.06559	5.2
86.06062	1.9
86.09720	6.0
91.05482	6.0
93.07054	38.1
95.04987	12.5
95.08609	6.1
97.06541	22.7
97.10207	2.2
98.20780	1.9
99.04462	14.6
100.07619	6.2
101.02390	63.4
105.07043	9.5
107.08588	15.2
109.06532	3.3
109.10167	6.8
111.04443	16.6
111.08062	5.3
113.06012	55.8
116.97243	19.3
117.07022	2.5
119.08600	16.9
121.06526	3.1
121.10152	100.0
123.08052	4.3
123.11719	2.1
125.02360	3.5
125.06000	59.4
127.07545	4.4
128.06238	5.0
129.06950	2.0
131.99619	3.5
135.08054	3.0
135.11668	15.0
137.06023	5.3
137.09613	4.9
139.03918	2.7
139.07547	2.3
139.11195	8.9
140.04662	10.9
141.06950	2.8
142.07813	3.1
143.08582	10.5
145.10146	8.8
152.96957	8.5
153.12753	16.7
155.07146	2.5
155.08447	3.3
156.09364	4.1
157.10144	8.6
163.11195	37.0
171.09227	3.8
171.11728	6.5
175.98538	12.5
181.07610	7.4
181.10080	2.1
181.10628	1.8
181.12271	21.1
182.08221	2.1
184.08838	3.2
199.05684	1.9
199.08907	3.1
199.11244	17.1
199.13252	5.8
199.14977	11.2
199.18913	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03953	4.8
55.01878	1.4
55.05511	0.8
57.93567	0.5
65.03947	3.1
67.05508	3.6
69.03404	0.4
69.07058	0.8
70.95932	0.8
71.04995	0.3
72.93800	0.3
74.09717	1.6
77.03934	0.9
79.01858	0.3
79.05495	0.8
81.03409	0.9
81.07063	0.4
82.04182	0.3
83.05008	0.4
83.08613	0.5
85.02890	0.6
86.09711	0.5
91.05485	0.5
93.02332	0.3
93.03412	1.0
93.07059	0.5
95.04973	24.9
95.08601	0.3
96.05284	0.3
97.02888	2.3
100.07625	0.6
103.66537	0.2
105.04515	2.2
107.01324	0.3
107.08605	0.5
108.02152	0.5
110.03675	2.1
111.04462	2.7
116.97228	4.5
120.02052	0.3
121.02876	2.0
121.06511	0.5
123.04438	11.5
125.02359	14.6
131.99542	1.0
134.95845	0.4
137.02354	0.5
138.03200	0.4
139.03886	1.0
140.04691	100.0
141.05055	1.3
149.02354	0.5
152.96945	1.1
155.07045	11.6
157.10052	0.3
166.02643	0.4
167.03397	1.2
167.07056	1.0
173.08109	0.9
175.98557	3.3
181.04968	5.1
184.03639	0.4
184.67931	0.3
199.06027	1.0
199.11255	1.0
199.14780	0.4
199.18906	8.2
216.97929	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	198.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
56.96566	67.6
57.07091	0.8
60.08175	3.2
64.21854	0.6
68.05045	1.5
69.07088	1.4
70.52408	2.0
70.98125	3.0
71.09872	0.6
73.02911	0.7
74.97648	0.6
78.53665	0.6
81.03433	0.7
83.08642	1.3
85.02950	0.8
88.99193	1.2
95.06103	11.2
97.02874	1.0
97.10149	0.7
98.97569	3.1
107.54833	0.7
110.97572	28.7
112.86956	0.7
116.98622	0.8
119.01984	1.0
128.98608	36.9
133.01660	0.7
146.99663	16.2
154.13422	3.2
156.92641	0.6
156.95963	1.0
156.98087	15.4
165.00719	2.0
174.99152	95.0
193.00209	100.0
198.00745	1.6
198.12407	0.9
198.18530	24.2
207.01796	1.1
211.01265	6.9
216.01807	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	198.0763
Annotation	(S)-alapyridaine
Peak:m/z	Relative Intensity
53.03918	0.7
55.01859	1.8
55.05514	5.4
56.67495	0.6
56.96547	1.1
57.07079	3.6
57.18936	0.6
58.06594	1.6
60.08174	0.6
61.01147	0.7
67.05496	1.9
68.05024	0.7
69.03425	0.8
69.07066	4.8
70.01221	2.4
70.02937	1.3
70.71484	0.7
71.08627	1.4
79.05473	1.2
81.03406	1.0
81.07042	1.7
82.06570	2.5
83.04955	0.9
83.08629	5.0
83.54852	0.7
84.08145	0.8
85.02878	1.0
86.06069	1.1
92.04956	1.1
93.07072	1.1
95.06109	0.7
95.08598	1.1
96.02119	1.9
97.06536	0.8
97.10166	2.4
98.97595	0.8
99.03246	1.0
100.07598	1.3
110.03668	1.5
111.03204	6.9
111.04426	1.5
112.03981	4.9
116.97209	2.5
120.04417	0.9
124.03948	4.9
124.07587	1.6
125.05968	2.0
126.05521	13.0
127.05795	0.7
132.95877	1.0
137.02367	0.7
137.04726	8.0
137.05803	0.9
142.02985	0.7
150.96907	1.1
152.03412	5.2
152.07066	5.9
152.96881	0.6
154.04962	5.8
155.05782	20.6
161.16393	0.7
166.04971	1.0
167.05766	2.4
170.08127	77.4
171.08490	0.8
174.98846	1.1
175.98541	1.7
180.06596	5.0
198.07625	96.5
198.18535	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	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03941	1.7
55.05519	6.4
55.93505	1.5
56.07311	1.5
59.04994	1.8
60.03134	1.2
67.05496	5.7
69.03422	2.9
69.07073	2.8
69.84562	5.3
70.95866	21.2
71.04984	1.3
72.93791	11.1
79.05505	7.5
81.07076	11.8
83.04997	2.6
88.96895	3.3
90.94842	3.4
91.05500	20.3
93.07050	26.2
95.04978	11.0
95.08605	5.3
97.06573	1.9
99.04464	2.8
103.05486	1.3
105.03422	1.8
105.07041	30.9
107.08602	74.6
108.08967	1.4
109.06538	10.5
109.10165	10.0
110.62294	1.3
111.98489	19.4
113.96398	2.2
115.05511	1.6
117.07014	1.7
119.04929	2.7
119.07848	2.0
119.08580	12.1
121.06525	5.7
121.10148	4.0
123.04428	5.0
123.08071	3.0
123.11739	4.1
125.06007	7.1
125.09657	1.2
127.03960	2.1
129.99530	8.3
131.08603	1.9
131.97433	1.4
132.95850	31.3
133.10141	74.3
134.10512	1.4
135.08040	2.5
135.11699	51.8
137.05974	10.0
137.09622	7.4
139.07561	1.8
141.05565	1.4
141.06978	2.1
143.08519	2.3
146.07248	1.7
150.96896	42.9
151.03864	2.2
151.07550	2.2
151.09444	1.4
151.11214	9.0
155.08612	2.9
155.97433	22.6
156.09335	1.5
161.09645	33.0
167.08630	2.9
167.10635	2.7
168.98012	1.8
169.06502	2.0
169.10176	3.8
173.98506	32.8
179.10692	100.0
182.10982	1.7
188.00002	1.2
193.60316	1.1
194.74738	1.4
197.00107	1.9
197.06012	4.7
197.09761	3.5
197.11732	65.3
197.13283	6.2
198.18568	24.9
199.97037	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01879	1.4
55.05501	3.7
55.70438	0.9
57.07077	1.0
59.04990	2.8
62.54818	0.8
65.03946	1.4
67.05505	5.8
69.03411	2.0
69.07074	2.1
69.28094	4.9
69.28512	3.0
70.95874	5.8
71.04970	1.5
72.93783	2.5
79.05492	6.5
81.07055	6.5
83.04964	1.5
83.08613	1.0
85.06519	1.1
91.04961	1.4
91.05488	16.7
93.07055	24.3
95.04972	7.0
95.08608	3.8
98.21505	1.9
99.04351	0.8
105.07040	29.7
107.04982	0.9
107.08601	66.0
109.06533	5.1
109.10176	6.1
111.98508	3.9
115.05470	1.0
117.06983	1.4
119.04946	2.0
119.06085	1.6
119.08598	7.7
120.09343	0.8
121.06496	5.0
123.04447	3.2
123.11713	3.0
129.99510	1.5
131.08577	3.9
132.95833	9.7
133.10139	64.2
134.10461	1.5
135.08084	1.6
135.11699	55.3
137.05992	2.9
137.09622	6.9
141.06955	1.0
143.08598	1.4
146.07254	2.0
150.96938	9.6
151.03990	1.1
151.11186	5.5
152.65446	0.9
155.97426	5.7
161.09636	34.6
167.08589	1.3
173.98499	5.6
179.10687	100.0
180.11031	2.0
196.17924	0.9
197.11745	73.1
197.13179	3.4
198.12108	1.5
198.18552	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	197.1174
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03947	2.3
55.01875	5.8
55.05262	1.6
55.05513	18.6
56.02856	1.1
57.10789	1.1
65.65096	0.9
67.05495	4.2
69.03422	3.1
70.93669	1.8
70.94018	1.7
70.95879	9.0
72.93790	5.6
79.05495	6.8
81.07064	21.8
83.04964	2.7
88.96883	1.6
90.94830	1.2
91.05483	5.8
93.07052	7.9
95.04978	2.6
95.08611	2.4
97.06525	6.5
99.04453	7.9
99.66174	1.0
105.03350	1.4
105.07040	8.1
107.08591	12.4
108.53006	1.1
109.06528	9.7
109.10168	9.0
111.04444	2.0
111.08068	2.2
111.98486	9.3
117.06982	1.6
119.08613	6.7
121.06525	4.1
123.08052	1.5
125.06003	84.8
127.03926	28.6
127.04778	0.6
128.06230	1.5
129.99504	2.1
131.08519	1.5
132.95845	17.0
133.10135	14.1
135.11713	6.1
137.05988	100.0
137.09610	16.8
143.08563	5.8
150.96919	19.1
151.03885	2.0
151.07602	1.5
151.11172	3.6
155.97447	10.9
161.09642	16.2
173.98473	15.2
179.10677	23.8
179.12160	1.5
182.05717	1.5
185.02710	1.2
197.09883	1.9
197.11734	17.6
197.13390	2.0
198.18536	11.1
211.04016	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02393	0.9
53.03944	5.4
53.67517	0.6
55.01874	2.4
55.05511	5.0
55.43592	0.7
57.03436	1.9
57.07080	1.1
57.66105	0.6
59.05004	2.3
67.05505	6.0
69.03437	1.2
69.07066	1.9
70.95871	7.0
71.06985	1.3
72.93791	3.5
77.03944	1.5
79.05490	10.0
81.03435	1.1
81.07057	7.2
83.04969	1.3
85.06534	0.8
86.06094	0.7
90.94805	1.5
91.05489	17.2
93.07050	22.4
95.04977	13.3
95.08620	3.6
97.06542	1.3
101.53959	0.8
105.03397	100.0
105.04544	2.7
105.07031	31.5
106.03740	1.0
107.04970	1.2
107.08598	61.2
109.06531	6.0
109.10155	6.1
111.08120	0.9
111.98482	7.1
115.05424	0.9
117.06989	1.5
118.07773	1.1
119.04945	2.2
119.06080	0.7
119.08583	9.1
121.06526	6.2
121.10140	1.7
123.04450	6.9
123.08096	1.1
123.11710	2.9
125.05979	4.8
127.03955	1.8
129.99516	2.1
131.08578	2.6
132.95839	12.3
133.10135	65.3
134.10484	0.9
135.08087	1.7
135.11696	48.6
136.12048	0.8
137.05983	9.0
137.09604	6.0
143.08565	2.3
146.07216	1.8
149.11359	0.8
150.96895	15.8
151.03951	0.8
151.11185	5.6
155.97411	6.8
161.09627	32.9
172.58736	0.9
173.98512	11.3
179.07103	3.1
179.10674	86.5
180.10941	1.5
182.05722	3.4
197.11736	55.4
198.18541	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01851	1.5
55.05495	1.9
55.64569	0.8
57.00932	0.7
57.03408	1.0
61.02915	1.8
63.08892	0.7
67.05487	2.9
69.03416	1.4
70.47234	0.8
70.95858	2.1
71.48026	1.6
77.68748	0.8
79.05509	8.6
81.07054	7.3
83.04965	1.2
91.05476	14.6
93.07045	18.6
95.04931	2.2
95.08596	3.5
97.06551	1.4
105.07037	30.5
107.08598	100.0
108.08949	1.1
109.06505	5.6
109.10164	5.9
111.98456	1.1
113.67464	0.9
115.05480	1.2
119.04955	1.8
119.08578	15.3
121.06490	2.4
121.10158	18.4
123.08029	1.9
123.11691	3.0
125.06018	1.6
128.06223	1.5
131.08542	3.0
132.95854	4.0
133.06454	1.4
133.10136	58.0
135.08014	1.2
135.11685	4.5
137.05945	4.9
137.09598	3.1
139.07558	4.5
143.08574	2.1
146.07324	0.9
149.09616	8.3
150.96873	3.9
151.07565	2.7
151.11201	15.7
151.89114	0.9
155.97438	2.9
161.09625	15.6
161.13260	3.7
167.10696	24.1
173.98441	2.8
179.10686	36.7
197.11732	54.4
198.18546	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	197.0809
Annotation	1135-23-5
Peak:m/z	Relative Intensity
51.02386	0.3
53.03950	0.6
55.01876	0.9
55.05513	2.0
55.93512	0.4
57.03450	0.5
57.60435	0.4
65.03960	1.5
67.05504	2.3
67.07242	0.3
68.99799	0.9
69.03425	1.1
69.07073	0.9
70.95870	6.4
71.04990	0.6
71.58588	0.7
72.93793	3.0
75.04467	0.6
77.03955	0.3
79.05499	2.6
81.07060	5.2
83.04984	0.7
83.08622	0.3
84.04449	0.3
85.06578	0.6
88.96911	1.3
91.05483	7.7
93.07033	2.6
94.04165	0.4
95.04971	2.5
95.08615	1.5
97.02888	0.4
97.06558	0.6
97.10164	0.3
98.78482	0.4
99.04458	0.9
104.01396	0.3
105.03413	1.6
105.07039	3.7
107.04964	0.4
107.08598	5.5
109.06531	4.3
109.10155	1.5
111.98480	4.5
113.96412	0.7
119.04977	2.1
119.06052	0.3
119.08591	2.3
121.06499	0.8
121.10160	0.6
123.04429	19.7
123.08048	0.5
123.11690	0.9
124.20724	0.4
125.05991	5.3
127.03917	2.1
129.99522	2.1
131.08546	0.4
131.97485	0.4
132.95842	8.0
133.10133	6.5
135.08069	0.5
135.11710	3.2
137.05981	100.0
137.09572	5.2
138.06451	0.5
140.04701	0.5
143.08537	0.5
147.04424	1.5
150.03145	1.6
150.96892	13.1
151.03940	0.9
151.07558	0.5
151.11211	1.6
153.09053	0.5
153.21237	0.4
154.14716	0.4
155.07047	0.4
155.97429	6.2
161.09601	3.2
169.08655	0.4
169.10178	0.7
173.98491	8.0
179.10675	8.9
182.05696	2.7
182.10913	0.4
193.04143	0.4
197.06209	0.7
197.08089	14.4
197.09515	0.6
197.11723	5.4
197.13275	0.6
198.18558	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	197.081
Annotation	1135-23-5
Peak:m/z	Relative Intensity
53.03948	2.4
54.39489	1.1
55.01878	17.1
55.05497	1.2
56.91661	0.9
57.03431	2.0
67.05509	4.8
69.03429	2.6
70.41131	3.9
70.95870	6.7
71.01379	1.1
72.93787	3.1
79.05502	10.3
81.03413	3.8
81.07061	15.3
83.05000	1.5
85.02904	4.2
88.96899	1.5
91.05487	12.1
93.07036	3.5
95.04976	28.9
95.08612	8.4
97.06543	1.3
102.63048	0.9
103.05505	1.7
105.07030	14.7
107.04984	7.7
107.08611	1.4
109.02858	2.9
109.06526	59.8
111.04436	2.2
111.98489	6.8
119.04956	4.9
123.04443	11.2
123.08086	12.5
125.05984	1.5
127.03873	2.6
129.99522	2.7
132.95845	9.5
133.06499	28.2
133.10144	2.3
135.04422	12.9
135.11743	2.0
136.05232	1.3
137.02312	3.7
137.05992	61.0
141.05487	1.1
150.96909	15.4
151.07558	63.5
155.03409	13.6
155.07030	2.8
155.08487	1.5
155.97427	8.2
161.06020	4.7
167.08604	2.3
169.08679	1.5
169.10103	1.5
173.98538	11.1
179.07057	100.0
179.10522	2.8
179.25470	1.0
182.10912	4.2
197.00076	1.9
197.08116	48.6
197.11736	1.5
197.13245	8.4
198.18576	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03951	2.3
55.01863	5.8
55.05513	21.5
57.03441	2.6
57.07063	6.1
59.05006	1.7
65.03923	1.9
67.05508	12.1
69.03094	1.9
69.03417	9.7
69.07071	36.4
71.04993	7.0
71.58589	2.1
79.05495	25.3
81.03409	2.1
81.07057	35.9
82.96207	1.5
83.04983	6.7
83.08632	13.7
85.06541	7.8
89.03919	31.3
89.06019	1.6
90.12955	1.3
91.05487	11.3
93.06466	2.5
93.07046	39.4
95.04939	4.8
95.08608	45.6
97.02895	1.6
97.06535	4.0
97.10169	7.0
99.07478	2.6
99.08094	42.3
103.05461	4.0
105.07024	6.8
106.04189	2.3
107.04942	7.9
107.08591	43.6
109.06487	3.4
109.10153	15.6
109.98934	2.2
111.04465	1.4
111.08090	15.2
111.11720	4.5
113.09644	5.4
117.03383	56.8
117.06992	2.9
118.03683	1.6
119.04927	1.9
119.08599	2.7
121.06506	6.6
121.10143	52.5
123.04451	1.4
123.08046	1.9
123.11674	3.7
125.06001	1.9
125.09628	25.6
125.58354	1.3
130.96295	2.6
131.04915	1.6
131.08566	3.7
133.10133	2.9
134.03641	8.2
135.04428	6.7
135.08064	7.4
135.11687	27.1
136.12057	1.4
137.13271	16.4
139.07515	2.3
139.11192	3.8
145.02850	94.5
148.97360	3.9
149.02382	2.0
149.05981	24.2
149.09651	9.0
149.13235	5.1
150.09158	2.4
151.99239	4.7
153.05472	3.5
153.97913	2.0
159.11801	1.6
162.03146	2.4
163.03922	13.4
164.04398	1.3
165.07018	10.2
166.07719	1.5
167.01668	13.7
167.08578	2.8
171.99020	1.6
177.05473	100.0
177.09094	4.3
177.12802	2.4
177.16394	59.9
178.05798	1.7
179.08620	1.5
180.09331	8.9
195.01138	9.5
195.02748	2.0
195.06508	4.3
195.08218	5.0
195.10155	7.2
195.11708	18.0
195.13753	2.9
195.15816	2.0
195.17488	14.8
212.06947	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03957	2.2
54.07600	1.1
55.01885	6.6
55.05260	1.7
55.05514	27.8
56.10017	1.2
57.03431	1.8
57.07080	8.8
61.92019	1.1
67.05505	11.2
69.03439	14.7
69.07072	55.1
70.69326	3.2
71.04991	7.7
71.08627	2.6
79.05496	12.6
79.20855	1.1
81.07063	46.7
83.04973	3.3
83.08623	22.7
85.06542	9.8
85.10179	1.4
89.03926	4.9
91.05486	5.6
93.06466	2.0
93.07052	31.6
95.08612	74.1
97.06541	1.5
97.10164	13.9
99.08102	70.3
105.07059	6.1
107.04985	1.6
107.08600	61.9
109.06537	1.7
109.10159	18.3
109.13242	1.2
111.08082	25.0
111.11696	7.2
113.09653	7.5
117.03384	9.5
119.08588	1.7
121.10151	79.6
123.11709	8.4
125.09645	41.5
125.10558	2.5
125.13373	1.2
127.11199	1.3
135.04451	1.6
135.08070	3.2
135.11693	18.8
137.13274	30.9
139.11218	5.8
141.17238	1.3
145.02873	14.7
149.06000	3.5
149.09634	2.3
149.13264	6.8
153.12811	2.0
155.75774	1.6
163.04028	1.5
167.01663	5.3
167.90686	1.1
177.05476	16.5
177.09178	2.1
177.16399	100.0
178.16641	1.2
195.01157	3.3
195.06554	1.3
195.10202	3.2
195.11780	1.6
195.15755	1.1
195.17461	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03951	2.7
55.01863	7.0
55.05513	31.9
57.03427	5.5
57.07061	6.3
57.19997	2.0
65.03938	4.0
67.05505	15.5
68.11919	1.8
68.96350	2.2
68.99796	2.5
69.03432	17.5
69.07075	56.2
70.06583	2.2
70.92522	2.5
70.92822	2.3
70.94253	1.7
71.04994	10.0
79.05502	31.3
80.55654	1.6
81.03417	2.0
81.07060	57.4
83.04974	6.6
83.08622	24.0
85.06554	10.2
89.03922	18.4
91.05488	39.7
93.07049	49.4
95.04965	8.2
95.08614	75.2
97.06528	6.8
97.10200	13.9
98.20681	2.6
99.07478	3.6
99.08099	60.1
101.61915	2.0
103.05454	2.4
105.07039	13.2
107.04973	13.0
107.08602	74.3
109.06537	5.4
109.10162	19.9
111.04435	4.0
111.07346	2.5
111.08096	28.7
111.11715	6.1
113.09637	7.6
115.05451	3.9
117.03393	38.1
117.06213	3.9
117.07027	55.6
118.03776	2.3
119.08549	5.0
121.06518	9.3
121.10153	85.4
123.08099	3.1
123.11700	5.0
125.06033	4.4
125.07088	3.9
125.09636	37.1
129.07036	2.8
130.96341	2.4
131.08583	43.1
133.10127	3.5
134.03645	5.7
135.03403	1.7
135.04420	8.5
135.08073	24.5
135.11705	28.8
137.13260	21.0
139.03912	4.1
139.07494	3.1
139.11166	6.4
141.07034	1.9
145.02858	59.8
148.97372	3.0
149.02298	4.0
149.05986	18.2
149.09625	14.3
149.13260	7.1
151.11293	2.3
153.05467	8.3
153.09140	3.9
153.12756	2.7
159.08040	7.2
163.03925	14.0
165.06972	5.1
167.07123	3.4
167.08595	4.0
167.10722	2.2
171.98969	4.0
177.05492	68.8
177.09087	10.9
177.16402	100.0
180.09291	3.6
195.02916	11.8
195.06496	6.9
195.08197	3.9
195.10168	18.4
195.11763	8.0
195.13805	4.8
195.15790	3.1
195.17484	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03947	7.0
55.01880	5.7
55.05515	20.6
57.03434	3.8
57.07070	10.1
65.03945	2.7
67.05508	27.4
68.96340	3.3
69.03422	3.2
69.07070	61.0
69.39601	15.4
70.94258	3.3
71.05006	11.0
77.03933	2.2
79.05494	64.3
79.55254	1.8
80.38454	1.9
81.03439	4.7
81.07058	62.2
83.04991	17.3
83.08634	12.3
84.08175	2.9
85.06540	14.6
88.30958	1.9
89.03903	23.7
89.06046	2.7
91.05489	25.1
93.07050	76.0
93.07623	3.7
95.04989	8.9
95.08613	78.8
97.06554	10.2
97.10188	7.8
99.08097	23.6
103.05502	5.3
105.07008	9.6
106.04226	2.9
107.04963	16.2
107.08600	52.1
107.09286	3.4
108.43814	1.8
109.06537	4.1
109.10133	13.6
111.04465	2.5
111.08062	10.2
111.11726	46.3
113.09679	3.9
117.03382	50.0
117.07036	8.6
119.08604	4.6
121.06517	9.5
121.10152	58.4
123.04418	2.5
123.08043	2.2
123.11710	3.1
125.06004	9.8
125.09624	2.9
130.96364	4.5
131.08606	6.7
133.10118	10.9
134.03595	10.1
135.04442	11.6
135.08061	11.6
135.10683	4.0
135.11700	69.1
135.12700	4.0
137.06003	3.2
137.13309	7.4
139.07637	5.9
145.02855	83.5
145.03996	4.4
148.97366	6.3
149.06004	26.0
149.09634	11.0
149.13272	9.1
152.06271	2.4
153.05521	7.5
153.09218	2.3
153.12709	3.9
159.11725	6.7
163.03906	19.4
165.05772	2.8
165.06979	12.8
166.07878	3.0
167.07196	2.5
167.08600	4.8
171.99001	4.4
177.05482	100.0
177.09157	4.3
177.12804	9.3
177.16388	61.0
178.05952	2.4
179.08607	3.7
180.09348	13.3
182.21431	1.8
186.05562	3.1
193.03233	2.1
195.02921	4.7
195.06500	10.4
195.08205	8.7
195.10199	6.9
195.11755	25.0
195.13850	9.2
195.17448	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03942	4.0
55.01872	2.4
55.05516	14.2
57.03444	100.0
57.07070	1.6
65.03938	2.8
67.05511	53.5
69.03410	1.2
69.07073	15.4
69.49995	6.0
69.50406	1.5
71.01357	2.3
71.05009	5.3
77.03944	1.5
78.03120	0.9
78.17725	0.8
78.97662	1.0
79.05502	37.6
80.37663	0.9
81.03429	11.8
81.07066	74.8
82.07362	1.1
83.04992	9.0
83.08629	8.2
85.06544	4.3
87.04489	1.0
89.03917	1.8
89.45744	0.9
91.05486	33.0
93.07055	50.6
93.98230	0.9
95.04974	7.2
95.08042	1.8
95.08614	27.2
97.06531	10.1
97.10161	1.7
99.08115	1.6
105.07040	11.3
107.04951	2.2
107.08609	23.4
107.37634	1.0
108.43803	1.0
109.06506	3.3
109.10154	3.5
111.08102	5.5
117.03403	2.0
117.07051	11.0
119.08575	2.6
119.26353	1.3
119.67509	0.9
121.06533	6.3
121.10153	8.4
123.11732	2.8
124.05212	3.5
131.08585	13.0
133.10139	25.5
135.08080	3.9
135.11707	27.5
139.07509	2.6
145.02888	4.6
149.05960	1.0
149.09660	1.4
149.13280	13.5
151.11205	2.5
153.09166	1.4
159.11716	15.8
163.03920	3.1
177.05472	5.0
177.12770	10.8
195.10202	11.9
195.11809	2.1
195.13799	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.01880	5.7
55.05515	20.6
57.03434	3.8
57.07070	10.1
65.03945	2.7
67.05508	27.4
68.96340	3.3
69.03422	3.2
69.07070	61.0
69.39601	15.4
70.94258	3.3
71.05006	11.0
77.03933	2.2
79.05494	64.3
79.55254	1.8
80.38454	1.9
81.03439	4.7
81.07058	62.2
83.04991	17.3
83.08634	12.3
84.08175	2.9
85.06540	14.6
88.30958	1.9
89.03903	23.7
89.06046	2.7
91.05489	25.1
93.07050	76.0
93.07623	3.7
95.04989	8.9
95.08613	78.8
97.06554	10.2
97.10188	7.8
99.08097	23.6
103.05502	5.3
105.07008	9.6
106.04226	2.9
107.04963	16.2
107.08600	52.1
107.09286	3.4
108.43814	1.8
109.06537	4.1
109.10133	13.6
111.04465	2.5
111.08062	10.2
111.11726	46.3
113.09679	3.9
117.03382	50.0
117.07036	8.6
119.08604	4.6
121.06517	9.5
121.10152	58.4
123.04418	2.5
123.08043	2.2
123.11710	3.1
125.06004	9.8
125.09624	2.9
130.96364	4.5
131.08606	6.7
133.10118	10.9
134.03595	10.1
135.04442	11.6
135.08061	11.6
135.10683	4.0
135.11700	69.1
135.12700	4.0
137.06003	3.2
137.13309	7.4
139.07637	5.9
145.02855	83.5
145.03996	4.4
148.97366	6.3
149.06004	26.0
149.09634	11.0
149.13272	9.1
152.06271	2.4
153.05521	7.5
153.09218	2.3
153.12709	3.9
159.11725	6.7
163.03906	19.4
165.05772	2.8
165.06979	12.8
166.07878	3.0
167.07196	2.5
167.08600	4.8
171.99001	4.4
177.05482	100.0
177.09157	4.3
177.12804	9.3
177.16388	61.0
178.05952	2.4
179.08607	3.7
180.09348	13.3
182.21431	1.8
186.05562	3.1
193.03233	2.1
195.02921	4.7
195.06500	10.4
195.08205	8.7
195.10199	6.9
195.11755	25.0
195.13850	9.2
195.17448	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03940	4.0
53.27996	1.3
55.01881	2.7
55.05521	12.6
57.03427	4.6
57.07075	2.2
65.03942	2.2
67.05512	52.6
68.96362	2.3
69.03439	2.8
69.07077	13.8
70.94271	1.5
71.01331	1.5
71.04987	6.8
71.59196	1.7
71.59621	1.6
79.05500	40.3
81.03431	8.0
81.07068	100.0
82.07353	1.6
83.05001	9.2
83.08619	8.6
85.02879	1.4
85.06555	3.8
85.98270	1.2
87.04479	1.5
89.03930	9.1
89.06033	2.5
91.04962	1.7
91.05489	25.0
91.06004	2.2
93.07055	63.7
95.04986	7.7
95.08614	43.0
97.06548	10.3
97.10183	2.0
99.08079	1.9
103.05473	1.7
105.07034	10.1
106.04190	1.4
107.04968	4.7
107.08603	27.0
109.06527	3.5
109.10131	3.4
109.98907	1.2
111.04408	1.4
111.08096	4.7
113.06072	1.4
113.09690	1.4
117.03393	18.7
117.07020	9.3
119.08607	3.1
121.02896	2.4
121.06495	8.7
121.10155	11.0
123.04456	1.6
123.08072	1.9
123.11707	1.9
125.05990	1.5
125.09660	1.5
128.00058	2.2
130.96342	2.8
131.08607	9.8
133.08626	1.1
133.10158	17.8
134.03673	3.4
135.04411	5.2
135.08089	6.6
135.11711	36.8
137.06001	1.8
137.09645	1.6
137.13219	1.3
138.06575	1.9
139.03909	3.6
139.07535	2.9
145.02864	25.5
148.97409	6.0
149.06006	9.7
149.09634	5.3
149.13255	16.3
150.09116	2.3
151.11182	1.8
152.06236	5.0
153.97878	2.9
159.11713	17.1
163.03946	10.6
165.06996	12.6
166.07747	1.3
167.03433	5.0
167.07301	1.4
167.08589	7.7
171.98978	4.1
177.05484	32.4
177.09090	1.4
177.12776	13.1
177.16371	2.6
179.08609	2.0
180.09319	8.2
186.00549	1.3
186.05539	1.7
195.00856	1.5
195.02927	3.1
195.06483	4.4
195.08113	13.7
195.10141	2.4
195.11722	18.5
195.13814	16.2
195.15677	3.1
196.17024	1.7
201.82541	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03949	7.7
53.23128	1.0
54.28662	1.2
55.01863	3.3
55.05261	1.5
55.05511	19.4
55.45406	1.0
57.03441	5.6
57.07070	1.6
65.03944	3.7
67.05508	62.8
69.03436	2.3
69.06725	1.4
69.07070	19.4
70.06561	1.4
71.01337	1.4
71.03704	3.2
71.05005	6.3
72.12960	1.1
73.02908	2.0
79.05499	48.4
81.03426	14.9
81.07063	100.0
83.01328	2.3
83.04983	16.6
83.08617	12.8
85.02901	2.1
85.06538	4.1
89.03922	5.7
91.05485	52.5
93.07047	66.3
94.63980	1.1
95.04967	10.9
95.08611	41.0
97.06539	11.6
99.08041	1.5
101.68658	1.1
103.05435	1.6
105.07035	17.7
107.04972	5.6
107.08603	35.2
109.06513	3.5
109.10157	5.2
111.08087	6.4
114.06539	1.1
115.05464	2.3
117.03386	10.8
117.07017	18.5
119.08566	4.4
121.06515	7.8
121.10138	10.5
123.08071	2.8
123.11695	3.7
125.09638	1.6
129.06990	2.3
131.08575	18.6
133.06465	1.4
133.10141	31.4
135.04442	2.8
135.08066	8.5
135.10675	2.1
135.11693	36.5
136.12027	1.1
139.03935	1.7
139.11140	1.9
143.58737	1.1
145.02849	23.4
147.07988	1.4
148.97362	1.7
149.05977	4.4
149.09637	2.3
149.13278	18.0
150.09155	2.5
151.11121	5.8
153.07037	1.1
159.11710	17.5
162.03249	1.2
163.03934	6.4
163.07460	2.8
165.06998	8.9
167.08563	4.0
171.98955	1.7
177.05481	24.7
177.09074	6.1
177.12761	14.3
180.09351	6.7
195.06534	2.6
195.08350	3.2
195.10156	52.2
195.11742	12.0
195.13809	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.18740	0.9
51.82426	0.9
53.03946	4.8
55.01881	2.5
55.05304	0.9
55.05517	9.7
57.06820	1.3
57.07080	16.2
61.02929	4.3
67.05508	11.0
69.03439	4.8
69.07072	19.3
69.61974	6.4
71.04983	2.7
71.08624	1.4
77.03939	1.2
77.92097	0.8
79.05498	90.4
81.07066	18.1
83.04987	28.7
83.08640	5.3
85.06550	3.4
89.03898	4.2
91.05488	12.8
92.17138	1.0
93.07051	95.0
95.04994	4.7
95.08612	20.3
97.06548	13.6
97.10162	2.7
98.21481	1.2
99.08114	12.1
99.44580	0.9
105.04488	1.3
105.07030	3.9
107.04988	9.4
107.08601	43.7
109.06512	2.1
109.10168	4.9
111.08092	6.0
111.11701	1.1
113.09638	1.6
117.03399	8.6
117.07010	1.8
119.08627	1.5
121.06521	5.2
121.10144	21.2
123.11721	2.0
125.05056	1.0
125.05997	21.2
125.09629	12.0
131.08583	1.9
133.10138	9.1
135.08086	3.8
135.11702	100.0
137.13260	4.3
139.07570	10.0
139.11153	1.2
145.02847	12.1
149.06015	2.5
149.13289	11.6
149.66684	0.9
152.94055	0.9
153.09207	1.2
153.12749	6.2
159.11684	2.4
163.03970	2.0
177.05498	12.9
177.12778	6.5
177.16394	20.1
180.09312	1.0
183.34207	0.9
195.10168	1.2
195.13821	4.2
195.17485	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	195.1017
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
50.85527	1.1
51.29241	0.9
53.03936	3.0
55.01882	8.1
55.05515	8.1
57.03188	1.5
57.03440	17.6
63.64040	1.2
65.03938	2.5
67.05509	8.0
68.96321	1.4
69.03440	7.5
69.07056	3.5
69.30551	1.0
69.57946	2.7
69.58345	5.8
71.02660	1.0
71.04979	2.1
79.05498	61.6
81.03426	1.8
81.07053	7.8
82.02074	1.0
83.04971	4.9
89.03911	5.2
89.05974	1.3
91.05484	29.1
91.52075	1.1
93.03384	1.1
93.07048	91.6
95.04979	10.6
95.08591	2.4
97.06525	5.2
98.20795	2.2
99.04457	2.2
103.05486	1.9
105.04514	1.9
105.07035	15.8
106.04166	1.2
107.04958	31.5
107.08599	65.3
109.06512	7.4
111.04427	5.0
111.08078	5.8
113.02443	1.2
115.05457	4.0
116.06239	2.6
117.03392	8.5
117.07027	52.3
119.08594	1.9
121.06522	34.7
121.10150	16.0
123.04427	2.4
123.08080	1.4
125.05982	9.8
125.09627	5.1
129.07071	2.4
130.96251	2.2
131.08575	45.4
133.06509	5.5
133.10156	1.5
134.03639	1.8
135.04428	13.7
135.08060	100.0
135.11729	2.9
137.05971	2.0
139.07536	2.6
141.05421	2.9
145.02832	16.6
148.97310	2.2
149.02252	1.3
149.05975	9.4
149.09630	68.4
151.03874	4.1
151.07494	1.4
152.04712	9.2
153.05496	13.3
153.09132	7.6
159.08049	3.0
159.11644	1.5
163.03880	3.0
165.07016	2.3
167.07045	4.5
167.08533	2.3
167.10658	2.2
171.98994	1.5
177.00601	1.1
177.05476	19.9
177.09103	29.9
177.12662	1.4
180.09375	1.8
195.02831	1.2
195.06554	27.6
195.10173	79.9
195.11624	4.2
203.77118	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	195.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
50.94341	0.7
53.03946	4.2
55.01865	3.2
55.05515	16.9
57.03441	100.0
57.07060	1.3
58.03747	0.7
65.03933	2.6
67.05508	62.7
69.03408	1.6
69.06717	1.1
69.07072	17.1
71.01346	2.7
71.04996	5.9
72.92429	0.7
73.02912	1.2
74.53368	0.7
77.03947	1.1
79.05497	42.4
81.03424	13.0
81.07062	90.3
83.04986	10.1
83.08628	10.5
85.02895	1.2
85.06525	3.4
87.04487	1.0
91.05486	40.1
92.66322	0.8
93.07049	57.8
95.04992	4.4
95.08614	34.3
97.06543	10.5
97.10191	1.0
99.08094	2.5
105.06381	1.0
105.07033	10.7
107.04945	2.8
107.08603	25.1
109.06512	4.1
109.10152	3.0
111.08083	5.3
117.03393	3.5
117.07027	12.6
119.08581	2.1
121.06516	6.7
121.10150	8.9
123.08063	1.0
123.11695	2.0
124.05196	2.5
125.09674	1.0
129.06961	0.7
131.08568	12.7
133.10136	23.6
134.03607	0.9
135.08058	3.6
135.11696	31.4
139.07561	3.5
145.02840	4.7
147.11644	0.7
149.05997	1.7
149.09659	2.0
149.12180	1.0
149.13272	13.3
151.11203	4.9
159.11711	16.7
163.03909	3.4
177.05464	5.4
177.12770	10.1
180.09526	1.2
195.06541	1.1
195.10164	12.2
195.11809	1.0
195.13802	15.5
195.15495	1.5
196.10498	0.7
196.14113	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	195.1017
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
51.02389	1.6
52.03900	1.3
53.03937	3.2
55.01870	10.0
55.05515	11.4
57.03435	20.1
57.07084	1.5
65.03931	4.5
67.05506	7.8
68.99781	2.5
69.03437	9.1
69.07055	3.6
70.94199	3.2
71.04996	3.7
71.17606	1.2
72.04298	1.5
77.03917	2.7
79.05496	70.2
81.03413	2.3
81.07060	12.7
82.60719	1.2
83.04993	8.5
83.08611	2.0
85.06535	3.1
85.10217	1.4
89.03915	25.5
91.05479	34.6
93.03403	3.6
93.07049	87.3
95.04973	12.2
95.08596	6.4
97.06516	7.5
99.04472	1.6
103.05472	11.8
105.07042	16.3
106.04139	1.4
107.04961	42.4
107.06497	1.7
107.08600	75.6
109.06508	6.4
109.10186	1.8
111.04452	7.1
111.08083	4.7
115.05464	4.2
117.03388	45.5
117.07024	33.3
119.08565	3.9
121.06511	41.5
121.10145	21.4
123.04452	1.9
123.08054	1.7
124.05195	1.5
125.05984	13.2
125.09633	6.3
129.07071	1.6
131.04964	1.4
131.08572	35.4
133.06483	5.9
133.10114	3.5
134.03625	7.5
135.04462	11.0
135.08057	100.0
135.11668	9.6
139.03905	10.3
139.07545	3.2
141.05466	4.9
145.02847	75.3
146.03081	2.1
148.97327	2.3
149.05984	20.1
149.09625	73.0
149.13194	2.0
153.04462	1.9
153.05499	18.3
153.06654	2.0
153.07217	1.4
153.09142	9.4
154.06262	36.2
159.08087	1.8
162.03093	2.4
163.03885	18.4
163.07555	9.7
165.06992	6.6
167.07056	2.7
167.08549	1.7
167.10640	2.0
171.98993	3.3
177.05482	75.9
177.09085	31.3
177.12636	1.6
177.16396	2.8
180.09364	3.7
186.05482	2.9
195.06519	3.6
195.08385	3.2
195.10172	88.3
195.11656	5.5
195.17444	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	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	1.7
55.01871	1.5
55.05508	2.9
57.03449	1.4
57.07064	1.3
64.11874	0.7
65.03948	1.1
67.05515	9.2
69.07067	3.4
71.05003	1.3
71.58614	1.2
71.91229	0.6
78.04729	1.0
79.05498	10.3
81.03417	3.5
81.07067	15.7
83.05000	1.8
83.08625	0.9
85.06538	1.2
89.03926	29.4
91.05494	8.0
93.07054	12.8
95.04973	2.3
95.08610	6.2
97.06521	2.3
97.10174	0.9
103.05476	1.5
105.07047	2.4
106.04178	2.4
107.04992	4.4
107.08590	8.0
109.06507	1.3
109.10148	1.5
109.30764	0.8
111.04460	1.7
111.08039	1.2
117.03393	49.3
117.07027	2.9
118.03684	1.0
119.08578	1.2
121.06521	3.8
121.10126	4.4
123.11711	0.9
125.06005	2.1
131.08565	3.1
133.10141	3.6
134.03661	8.0
135.04424	9.0
135.08075	5.1
135.11688	9.6
137.06015	1.0
139.03932	2.5
145.02856	87.0
146.03206	1.5
149.05997	21.5
149.09589	1.4
149.13287	4.7
151.11179	1.3
152.06224	1.8
153.05508	1.5
154.06285	6.1
159.11708	3.2
162.03073	1.9
163.03917	13.5
163.07562	1.3
165.05547	1.0
165.07040	3.3
167.07141	1.5
167.08617	3.2
171.89455	0.7
172.29643	0.7
177.05492	100.0
177.12769	3.4
178.05804	2.3
180.09286	2.8
186.05507	1.6
195.06480	2.9
195.08142	5.2
195.10175	2.4
195.11740	5.0
195.13843	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	195.1018
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
53.03943	4.3
55.01878	10.1
55.05524	10.4
57.03442	22.1
57.07054	1.4
58.37601	1.3
65.03930	3.7
67.05502	5.7
69.03435	7.9
69.07063	3.3
70.93790	1.8
70.94159	2.9
71.04990	3.5
79.05501	67.6
81.03403	2.2
81.07066	10.1
83.05000	7.5
89.03926	30.5
91.05495	33.4
91.06068	1.7
93.03374	2.0
93.07056	95.2
95.04961	11.6
95.08605	4.1
96.44495	1.4
97.02869	2.4
97.06528	5.0
99.04460	1.9
103.05463	5.4
105.07053	17.6
106.04175	3.1
107.04969	35.2
107.08604	76.8
109.06551	8.7
109.10146	1.5
109.98979	1.6
111.04453	8.8
111.08097	5.9
113.06037	1.6
115.05465	3.6
116.06257	2.7
117.03394	46.8
117.07027	41.2
119.05000	2.0
119.08584	2.2
121.02869	2.5
121.06515	38.9
121.10156	19.1
123.08112	2.7
124.50303	1.3
125.06020	13.7
125.06913	1.7
125.09658	5.1
129.07010	3.1
130.96272	3.1
131.08582	39.9
133.06470	6.2
133.10146	3.7
134.03650	7.8
135.04469	11.5
135.08067	97.2
135.11678	3.3
136.08385	1.9
137.05952	1.9
137.09627	1.6
139.07538	2.7
141.05460	3.5
145.02863	89.9
148.97362	3.8
149.02313	2.2
149.06009	26.2
149.09634	91.1
149.13322	1.9
151.07564	2.2
153.05498	18.3
153.09105	6.3
153.97839	1.4
158.06062	1.7
159.08075	4.6
162.03149	3.0
163.03935	11.0
163.07613	1.6
165.07059	3.0
167.03416	4.5
167.08664	1.6
167.10686	2.2
171.98985	4.0
177.05492	100.0
177.09079	29.9
177.12872	1.5
180.09344	1.5
195.02913	5.5
195.06453	4.2
195.10191	91.6
195.11554	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	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03929	1.7
55.01880	2.8
55.05509	3.0
57.03434	6.1
63.02324	0.5
64.62852	0.5
65.03928	1.7
67.05486	1.8
67.16635	0.5
68.96320	0.9
69.03438	3.2
69.07056	1.3
69.56516	3.9
71.04980	0.9
78.04700	1.7
79.05494	17.1
81.03414	1.4
81.07056	5.2
83.04976	2.1
85.02914	0.8
85.87579	0.5
87.44329	0.5
89.03921	27.1
89.06007	0.5
91.04960	0.9
91.05479	12.2
93.03400	0.8
93.07050	24.0
94.06876	0.5
95.04965	3.7
95.08608	1.8
95.48687	0.4
97.02914	0.5
97.06512	2.2
98.20682	0.5
99.04447	0.6
99.47049	0.6
103.05467	2.0
105.07024	5.9
106.04167	2.3
107.04963	10.1
107.07861	1.2
107.08598	22.9
109.06504	3.0
109.98968	0.7
111.04465	3.0
111.08079	2.4
115.05457	1.2
116.06212	0.6
117.03385	47.9
117.07022	11.3
119.04951	1.2
119.08659	0.9
121.02859	1.9
121.06518	11.7
121.10133	6.7
123.04401	0.8
123.08072	1.3
125.06013	3.0
125.09629	1.7
129.07039	0.6
130.96298	1.7
131.08575	11.7
133.06479	1.9
133.10127	0.8
134.03638	7.9
135.04434	7.5
135.08058	26.0
135.11693	2.2
137.09619	1.4
139.03917	0.7
141.05428	1.1
145.02850	88.8
146.03215	1.8
148.97368	2.0
149.05991	23.9
149.09625	23.9
149.13232	1.3
151.03944	0.5
151.07480	0.8
153.05487	5.7
153.09073	2.0
153.97928	1.5
159.08055	1.2
159.11670	0.5
162.03192	2.5
163.03914	9.4
165.06975	1.2
167.07126	1.2
167.08612	1.0
167.10684	0.8
171.98970	1.6
177.05478	100.0
177.08989	9.3
177.12756	1.3
177.16287	0.5
178.05806	1.8
180.09418	0.9
186.05536	1.9
189.74220	0.5
195.02888	0.9
195.06512	3.8
195.10197	23.7
195.11810	2.2
195.13765	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	195.0655
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
52.80468	0.5
53.03947	1.0
55.01873	1.2
55.05515	1.9
57.03437	1.4
63.02371	1.0
65.03960	0.8
67.05511	2.7
69.03442	1.2
69.07069	2.1
70.15240	2.2
71.05005	1.1
78.04713	1.4
79.05504	6.3
81.03438	0.7
81.07067	3.5
82.05355	0.5
83.04987	2.1
83.08631	1.2
85.06571	0.7
89.03921	26.9
91.05480	5.0
93.03383	0.9
93.07048	8.0
95.04964	2.0
95.08617	3.5
97.06527	1.5
97.10187	0.9
99.08141	0.7
103.05470	1.4
105.07050	1.9
106.04185	1.9
107.04966	3.6
107.08596	6.0
109.06528	0.6
109.10137	2.3
111.04438	1.5
111.08099	1.1
117.03384	50.1
117.07014	1.7
119.05001	0.5
119.08619	0.6
121.06530	3.3
121.10125	3.8
123.11674	0.5
125.05981	1.6
125.09646	0.6
130.96350	0.7
131.08571	1.6
133.10110	0.6
134.03647	7.5
135.04436	7.6
135.08089	4.0
135.11699	3.9
137.13332	1.2
139.03940	0.7
145.02855	87.5
146.03197	1.3
147.04335	0.5
148.97429	0.9
149.02371	0.5
149.05986	23.1
149.09628	3.4
149.13232	1.3
152.06171	0.8
153.05496	1.9
153.09111	0.7
158.06020	0.9
159.11662	0.6
162.03122	2.3
163.03903	9.7
165.07016	3.8
166.07295	0.5
167.07056	0.5
167.08553	1.0
177.05481	100.0
177.08968	1.9
177.12669	1.2
177.14955	0.5
177.16425	2.1
178.05791	1.5
179.08510	0.8
180.09317	2.5
186.05511	2.3
195.01112	0.9
195.02911	1.2
195.06754	2.4
195.08246	1.4
195.10153	4.1
195.11719	4.3
195.13730	0.8
195.17451	1.1
204.93153	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	195.0654
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
50.55222	0.5
52.64380	0.5
55.01875	0.8
55.05497	0.8
57.03443	0.6
57.07077	0.7
63.02379	0.7
65.03944	1.4
67.05514	1.6
69.03429	0.5
69.07066	0.9
69.57942	3.3
78.04701	1.0
79.05503	3.3
79.49824	0.6
81.03442	0.5
81.07068	1.8
83.04977	1.0
89.03920	24.2
91.05492	4.4
93.03412	1.2
93.07048	4.6
93.94135	0.5
94.87708	0.6
95.04964	1.3
95.08611	2.0
97.06528	0.7
101.67453	0.6
103.05471	4.0
105.07021	1.9
106.04183	2.2
107.04972	7.0
107.08571	2.8
109.06570	0.9
109.10159	0.9
111.04454	1.3
111.08033	0.7
117.03385	51.5
121.06493	2.9
121.10139	2.0
124.05217	1.6
125.06006	0.9
131.04955	0.7
131.08565	1.2
134.03639	8.3
135.04411	7.1
135.08084	4.4
135.11731	3.1
138.06618	0.6
139.03905	4.0
139.07562	0.7
145.02852	85.0
146.03236	1.2
147.04396	0.5
149.05991	22.5
149.09581	0.7
149.13226	0.7
154.06255	14.4
158.06070	0.8
162.03142	2.2
163.03912	11.0
163.07547	3.9
165.07011	1.4
167.07094	1.1
167.08592	1.0
177.05476	100.0
177.16484	0.5
178.05812	1.7
180.09337	1.4
186.05507	2.1
195.06514	1.7
195.08090	1.3
195.10121	2.2
195.11746	2.3
195.13580	0.6
196.66074	0.5
198.02042	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	195.0654
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
52.47953	0.3
53.03948	0.5
53.52570	0.3
55.01860	0.6
55.05502	0.9
55.19179	0.3
57.03427	1.2
57.07069	0.5
57.91215	0.3
63.02375	0.4
65.03956	0.3
67.05492	1.1
69.03426	0.7
69.07054	1.2
71.58752	0.6
75.85331	0.3
77.03902	0.3
79.05065	0.5
79.05496	6.3
81.03394	0.4
81.07053	1.6
82.73262	0.3
83.04972	0.9
83.08620	0.4
85.06544	0.5
87.57200	0.3
89.03925	16.2
89.06044	0.5
91.05482	2.8
93.07054	5.7
95.04999	1.4
95.08613	1.1
97.06522	0.7
98.06048	0.3
99.08099	0.5
102.63573	0.4
103.05447	0.4
105.07022	1.0
107.04967	6.3
107.08608	4.4
109.06539	0.5
109.10168	0.4
111.08101	0.6
117.03390	22.2
117.07011	1.3
118.03653	0.3
119.04944	0.4
121.06522	1.6
121.10170	2.3
123.04469	0.4
125.06005	0.9
130.96306	0.6
131.08585	2.0
134.03662	1.0
135.04428	31.3
135.08063	4.2
135.11732	1.9
136.04733	0.5
137.06062	0.3
139.07565	0.3
145.02856	30.2
146.03206	0.4
148.97391	0.5
149.06000	3.4
149.09642	2.9
149.13300	0.7
153.05511	1.7
153.09146	0.7
159.11749	0.6
162.03204	0.4
163.03918	100.0
164.04297	1.4
165.05643	0.3
165.06990	1.9
167.08569	0.8
169.94243	0.3
177.05476	14.7
177.09030	1.8
177.12794	0.6
177.16371	0.8
180.09343	1.2
195.06493	1.2
195.08374	0.7
195.10156	3.7
195.11732	3.1
195.13696	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03936	3.5
55.01876	5.6
55.05515	14.0
57.03419	1.5
57.07058	2.4
59.04994	1.4
63.72992	0.9
65.03928	2.5
66.56609	1.0
66.67928	0.9
67.05505	15.1
69.03409	2.3
69.07077	13.0
69.28121	10.1
71.04984	2.2
79.05496	18.5
81.02985	1.1
81.03427	17.4
81.07062	16.6
83.04967	3.4
83.08626	6.7
85.06540	2.7
91.04962	1.7
91.05481	19.8
93.07047	14.3
95.04981	12.8
95.08047	1.6
95.08611	22.9
97.06549	6.2
97.10170	1.1
98.97579	3.3
99.08089	1.1
103.05475	12.7
104.06274	1.2
105.07035	100.0
106.07359	1.0
107.04963	2.8
107.08594	17.1
109.06527	11.3
109.10161	20.6
111.08089	3.6
111.11723	1.4
115.05469	17.6
116.98595	1.8
117.07014	3.1
118.04169	9.0
119.04980	2.0
119.08583	38.5
121.06481	1.7
121.10139	7.5
123.04411	1.0
123.08086	12.2
123.11684	4.2
125.09651	1.2
129.06979	1.8
131.00119	1.0
131.04904	3.4
131.08583	5.0
132.05707	1.9
133.02858	3.5
133.06499	67.9
133.10136	50.4
135.08025	1.6
135.11700	18.3
137.05989	3.3
137.09613	9.5
143.04988	2.0
143.06036	4.6
145.10118	2.2
146.97450	2.7
147.04398	2.9
147.08044	3.0
147.11687	15.6
147.24690	1.0
149.01215	1.1
149.02324	2.1
149.05986	2.3
149.09537	1.4
149.13194	5.4
151.07559	1.4
151.11192	2.2
151.14728	1.8
152.07047	2.8
157.10130	2.1
158.99652	1.4
160.12390	1.0
161.05989	68.9
162.06490	1.2
165.05495	2.4
165.09113	1.9
165.12674	1.1
166.08604	1.3
175.07571	3.0
175.11174	4.0
175.14842	51.5
176.15169	1.5
177.00667	1.2
177.16481	0.9
178.02600	3.9
178.07753	1.9
179.05772	2.9
191.02315	1.0
193.03226	1.4
193.04971	12.1
193.08606	15.9
193.10217	2.3
193.12271	8.8
193.15915	27.9
193.17633	1.0
194.08083	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.57005	0.6
53.03959	1.0
55.01868	1.1
55.05513	2.1
57.03430	0.9
57.07085	2.0
63.02390	0.7
65.03944	3.5
67.05510	4.3
68.96338	1.7
69.07077	1.7
69.70704	3.8
70.94269	0.8
71.05014	0.7
71.82842	0.6
77.03922	0.7
79.05495	4.9
81.03423	1.2
81.07059	6.6
83.04991	2.2
83.08640	0.9
89.03922	27.2
89.06042	1.9
91.05500	7.8
93.03403	3.3
93.07045	8.0
95.04974	2.5
95.08624	4.5
97.06538	1.5
103.05483	1.8
105.04515	0.6
105.07057	0.8
106.04179	1.9
107.04974	2.4
107.08593	4.5
108.69560	0.6
109.06528	0.9
109.10202	0.8
109.98949	1.0
111.04463	6.2
111.08092	1.1
117.03387	49.0
117.07011	0.7
118.03671	0.7
119.04940	2.1
119.08521	0.7
119.89986	0.6
120.55424	0.6
121.06541	1.8
121.10126	3.1
125.06010	7.3
127.24538	0.6
130.96303	3.0
131.08543	1.4
131.96133	0.8
133.10199	1.0
134.03653	7.3
135.04422	8.5
135.08040	1.1
135.11703	4.5
139.03911	0.9
145.02858	85.8
146.03192	1.3
148.97369	5.9
149.05992	23.6
149.13261	1.7
149.97182	1.5
150.09120	0.9
153.05479	16.2
153.97940	2.9
158.06021	1.2
159.11674	1.8
162.03152	2.4
163.03931	10.1
165.05785	0.8
165.06950	4.4
166.07878	1.1
167.08537	1.7
171.98990	1.7
172.98845	0.9
173.86005	0.6
177.05484	100.0
177.12619	1.1
178.05827	2.1
179.08522	0.7
180.09352	4.2
186.05542	5.4
195.06546	3.8
195.08131	1.3
195.10158	1.7
195.11716	9.9
195.13785	1.9
195.15700	1.6
195.17384	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03943	1.9
55.01623	2.4
55.01875	45.7
55.05510	10.0
57.03436	1.7
57.07076	2.6
57.60288	1.5
65.03934	2.1
67.05503	20.3
69.03417	7.3
69.07069	14.3
69.57182	11.7
70.64314	1.4
71.04991	3.6
73.24546	1.4
79.05497	15.7
81.03421	4.6
81.07061	36.8
83.04971	6.0
83.08624	3.4
85.06531	3.2
91.05482	23.1
93.07048	31.1
95.04967	7.4
95.08617	44.1
97.06534	4.2
97.10162	1.8
98.24496	1.5
99.08096	4.6
103.05479	10.5
105.07034	62.2
107.04960	4.3
107.08601	45.6
109.06531	9.4
109.10160	32.6
111.08089	18.6
115.05448	5.0
117.07039	3.4
118.04181	4.4
119.05014	1.7
119.08585	100.0
121.06525	3.7
121.10160	12.4
122.03623	2.2
123.04453	2.9
123.08079	9.1
123.08846	1.5
123.11723	6.9
125.09638	2.1
130.04129	1.4
131.04936	6.8
131.08563	5.3
132.05695	5.5
133.02837	3.7
133.06488	26.6
133.10132	81.1
135.04402	4.2
135.08099	1.5
135.11693	35.5
137.05957	7.8
137.09622	15.3
143.06076	2.0
145.10141	3.5
146.10989	2.0
147.04431	6.9
147.08003	2.5
147.11693	41.8
149.02409	2.2
149.05995	5.7
149.13278	13.0
150.03064	2.2
150.06772	5.5
151.07600	2.7
159.04453	1.8
160.05208	6.0
161.05986	27.5
162.06734	8.0
163.14828	10.2
165.05594	2.5
165.09163	4.9
175.07544	16.4
175.11212	4.7
175.14836	99.9
176.15154	3.3
177.05522	2.0
178.02626	5.6
178.06242	4.0
178.07841	5.4
193.04990	13.5
193.08618	30.1
193.10199	9.0
193.12273	6.5
193.15910	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05264	1.9
55.05513	25.2
57.07084	6.7
59.04987	2.2
60.00095	1.6
67.05166	2.4
67.05506	29.3
69.03441	14.3
69.07072	18.1
69.49051	5.7
69.49464	4.6
71.04993	3.6
71.08627	1.8
71.45126	1.4
73.84771	1.3
79.05489	10.0
81.07061	39.7
83.04985	33.2
83.08627	12.9
85.06525	4.1
85.34004	1.5
91.05483	12.8
93.07050	25.0
95.04971	5.9
95.08613	61.1
97.06536	5.2
97.10168	4.2
99.08068	2.7
103.05483	1.5
104.99111	1.4
105.07033	25.4
107.08603	47.4
109.06522	23.2
109.10160	79.2
111.08110	9.8
117.07034	3.1
119.08585	54.5
121.10147	30.9
123.07185	2.7
123.08077	45.4
123.11720	12.7
125.09670	3.3
131.08600	3.3
133.06499	3.8
133.10141	46.8
135.11700	84.9
137.09619	33.4
138.10396	5.3
139.11113	1.5
147.11720	8.1
149.13268	21.0
149.73795	1.3
151.11211	14.8
151.14799	10.1
160.12514	1.6
161.05968	3.9
165.12770	1.3
165.16431	3.7
175.11217	1.7
175.14838	45.5
193.04985	1.6
193.08607	1.3
193.15892	100.0
194.16231	1.7
199.21663	1.4
201.48944	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
53.03939	1.5
54.42088	0.6
55.05516	5.3
56.74238	0.6
56.99387	0.6
57.07066	2.6
59.04998	0.8
66.84336	0.6
67.05509	8.4
69.07071	9.6
69.45154	5.0
72.23013	0.6
79.05492	3.8
81.07053	7.1
83.04990	0.8
83.08607	3.3
85.06515	1.1
91.05477	7.8
93.07043	7.5
95.04971	1.0
95.08612	24.6
98.21452	1.2
98.35658	0.7
103.05491	0.8
105.07036	16.7
105.53931	0.7
107.08600	9.4
109.06503	1.8
109.10160	21.6
117.07024	1.7
119.08588	57.4
120.09425	1.0
121.10148	5.4
123.08084	2.6
123.11702	2.0
131.08569	2.1
133.10138	77.3
134.10968	1.4
135.10695	1.2
135.11696	18.4
137.09639	7.5
145.10135	4.4
147.11696	20.4
149.13277	5.5
151.11191	0.8
151.14813	4.9
159.11757	1.3
160.12479	3.5
161.05910	0.8
173.13280	1.7
175.14833	100.0
176.15176	1.6
193.15906	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03945	2.8
53.75808	0.8
55.01863	2.8
55.05514	11.9
57.03423	2.4
57.07067	3.5
59.04982	1.8
65.03949	2.6
67.05166	1.6
67.05506	18.7
69.03424	4.2
69.07072	14.9
69.71307	6.7
71.04990	5.9
79.05497	19.2
81.03046	0.9
81.03426	9.5
81.07060	30.7
83.04980	7.8
83.08638	6.1
85.06527	3.4
91.05488	34.8
93.07045	28.4
94.07368	1.0
95.04981	11.2
95.08610	36.6
97.06528	7.7
99.04478	1.4
99.08093	2.1
101.58624	0.9
103.05459	3.1
105.07035	76.7
106.07304	1.2
107.04961	2.8
107.07875	1.6
107.08598	27.3
109.06512	11.0
109.09461	1.6
109.10162	24.2
111.08076	3.5
111.11760	0.9
115.05476	5.5
117.07027	5.7
118.04162	1.6
119.05019	1.0
119.08588	85.5
121.06513	3.5
121.10147	11.7
123.04455	1.0
123.08063	9.5
123.11718	3.9
125.40507	0.9
129.06989	3.4
131.04881	1.1
131.08565	7.0
133.02898	2.2
133.06503	15.4
133.10136	100.0
134.10562	0.8
135.08057	13.5
135.11696	25.5
137.05989	1.7
137.09615	9.2
137.13271	1.4
142.07762	3.2
143.06047	1.3
145.10127	6.8
146.10887	1.3
146.97430	1.0
147.04405	1.6
147.08054	4.7
147.11693	53.1
149.02342	2.7
149.03474	1.1
149.05966	1.4
149.09633	4.7
149.13257	6.6
151.07451	1.3
151.11195	5.7
151.14857	3.8
157.10123	5.9
160.12471	2.3
161.06024	11.5
162.06856	1.1
165.05452	1.1
165.09166	1.1
165.12762	9.4
173.13268	1.2
175.07523	1.2
175.11259	15.6
175.14832	95.1
176.15224	1.6
178.02589	3.1
193.05009	6.8
193.06898	1.3
193.08595	7.4
193.10219	2.5
193.12224	17.7
193.15898	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03932	2.7
55.01878	5.2
55.05519	13.4
57.03432	1.4
57.07069	2.9
59.05017	1.4
60.32320	0.8
65.03940	1.8
66.04750	0.9
67.05513	16.5
69.03442	4.8
69.06786	0.8
69.07080	8.8
70.94507	1.3
71.05008	4.4
73.03840	0.7
77.03941	0.9
77.52862	0.7
79.05054	1.3
79.05503	23.2
81.03412	1.0
81.07069	28.0
82.74336	0.7
83.04988	9.1
83.08625	4.1
85.06551	11.8
89.03865	0.7
91.05490	21.5
92.06308	0.8
93.07056	29.8
95.04980	5.7
95.08049	1.5
95.08620	28.3
97.06522	2.8
99.07481	1.6
99.08108	27.3
103.05473	14.7
104.06243	2.7
105.07042	100.0
106.07362	1.0
107.04968	4.0
107.08604	24.0
109.06532	4.8
109.10168	27.3
111.04442	0.8
111.08100	4.5
115.05455	14.7
117.07021	1.6
118.04176	9.4
119.04949	3.4
119.05864	0.9
119.06819	1.4
119.08598	39.8
120.05729	1.4
120.08972	0.8
121.06519	5.4
121.10179	7.9
122.07288	3.5
123.08101	5.4
123.11708	6.5
125.09649	6.3
129.07022	1.3
131.04968	2.1
131.08559	3.5
132.05722	3.0
133.02898	1.9
133.06506	64.6
133.10146	42.2
133.10907	0.9
134.07231	3.7
134.66811	0.8
135.04440	2.2
135.08080	2.6
135.11705	34.6
137.05928	1.8
137.09633	10.2
139.11208	7.2
142.40309	0.9
143.04953	1.7
143.06059	3.9
145.10130	1.1
146.10828	0.9
147.04436	7.7
147.08051	1.8
147.11716	11.1
148.05177	2.0
149.02396	1.6
149.06007	5.9
149.13269	6.1
150.05678	1.3
150.06787	13.7
151.07623	4.3
151.11214	2.6
151.14799	1.4
157.10182	1.2
160.05156	1.9
161.06024	56.9
162.06773	17.3
163.07562	5.5
163.14813	1.4
165.05458	1.1
165.09135	31.3
165.12828	1.3
173.43517	0.8
175.07544	1.4
175.11273	3.9
175.14844	41.5
176.15117	1.6
178.06282	2.2
193.03441	0.8
193.05003	4.2
193.08621	27.9
193.12267	3.6
193.15901	39.7
194.15826	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.62804	1.1
55.01860	3.3
55.05516	9.5
57.07067	2.3
59.04988	2.1
67.05210	1.2
67.05510	12.1
69.00831	1.0
69.07070	23.8
71.04998	17.7
71.38302	1.4
79.05487	9.8
81.03406	2.6
81.07063	24.5
83.04964	3.0
83.08614	4.1
85.06548	10.8
91.05483	10.0
93.07051	21.7
95.04972	34.7
95.08609	23.4
95.14878	1.2
97.06509	2.6
97.10191	9.4
99.08076	4.5
103.05481	1.4
105.07029	17.6
106.37363	1.2
107.08600	34.2
109.06523	100.0
109.10153	16.6
111.08096	7.1
111.11692	2.7
119.08590	29.2
121.10139	7.9
123.08070	7.6
123.11710	21.3
131.08583	1.9
133.02835	2.2
133.06480	3.1
133.10139	22.8
135.11699	32.8
137.06018	2.3
137.09622	14.7
146.97403	3.3
147.11696	6.5
149.02336	3.0
149.05904	1.3
149.13254	8.2
151.07532	1.3
151.11192	8.3
161.05984	4.4
165.05568	1.5
165.09099	2.3
175.11172	2.7
175.14838	39.9
178.02618	3.1
178.07889	1.2
193.04924	9.7
193.08589	4.8
193.10260	5.3
193.12151	2.8
193.15887	62.8
194.15363	2.5
204.36208	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	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.62836	0.8
53.03940	4.2
55.01879	4.3
55.05519	12.6
57.03433	1.6
57.07075	1.9
57.17780	0.7
59.05006	1.1
59.61167	0.8
63.47727	0.8
65.03928	1.7
67.05169	1.2
67.05510	17.9
69.03438	5.2
69.07069	11.5
70.02158	4.3
71.05008	7.1
72.10933	0.8
79.05063	1.8
79.05499	29.0
81.03419	12.1
81.07065	33.4
83.04990	16.7
83.08638	4.8
85.06531	2.5
91.05489	36.3
93.07056	34.5
95.04982	18.8
95.08050	1.5
95.08614	22.6
97.06546	17.4
97.07154	1.8
99.04446	3.3
99.08099	1.5
103.05496	4.2
105.03406	1.7
105.07040	100.0
106.07349	1.5
107.04956	3.2
107.07861	1.4
107.08603	29.8
109.06526	16.0
109.10181	8.8
111.08098	3.9
111.11765	1.0
113.06046	0.9
115.05458	5.1
116.06273	0.9
117.07032	7.6
118.04160	3.3
119.04939	1.8
119.08592	60.6
121.06525	9.1
121.10151	9.4
123.04402	1.4
123.08083	13.5
123.11713	4.7
125.05972	1.7
127.07543	2.5
129.07007	4.2
131.04872	1.1
131.08575	10.0
132.05750	1.0
133.02838	1.5
133.06506	23.2
133.10141	85.9
134.10468	1.3
135.08064	32.2
135.11708	12.6
137.05998	3.0
137.09645	4.7
137.13251	1.6
142.07787	3.9
143.06035	2.3
145.06505	0.9
145.10129	4.2
146.07214	1.0
147.04445	1.6
147.08072	5.2
147.11700	73.3
149.02321	3.6
149.09608	6.8
149.13263	2.8
150.06734	0.9
151.07555	2.5
151.11209	9.4
157.10155	9.1
160.08778	1.7
161.06013	19.0
162.06708	1.1
163.11185	1.3
163.14801	1.2
165.09149	2.4
165.12769	18.4
175.07634	1.1
175.11208	33.8
175.14838	32.0
175.15996	0.5
178.02615	1.9
186.27902	0.9
193.04996	8.3
193.08641	9.5
193.10355	1.8
193.12259	31.3
193.15929	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	193.0861
Annotation	3,4-Dimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
52.44676	0.4
53.03939	0.5
53.94017	0.4
55.01875	100.0
55.05511	1.2
56.02235	0.7
57.07078	0.7
57.31835	0.4
57.95433	0.3
67.05508	2.2
69.03423	0.9
69.07079	1.3
69.35326	0.4
69.47558	2.1
69.47978	1.2
79.05514	1.4
81.07059	4.6
83.08621	0.8
86.80212	0.4
91.05507	1.7
93.03403	0.4
93.07032	2.3
93.38960	0.3
95.05001	1.0
95.08614	4.8
97.06571	0.6
103.05486	0.8
105.07032	4.4
107.04972	0.6
107.08566	2.2
109.06554	1.2
109.10160	3.7
111.08102	1.5
115.05479	0.6
118.04187	0.6
119.05018	0.5
119.08593	4.0
121.10181	0.6
121.62640	0.5
123.08089	1.0
123.11751	1.4
131.04964	0.9
132.05734	0.8
133.06525	2.8
133.10109	3.6
135.04460	1.0
135.08076	0.6
135.11755	1.6
137.06015	1.9
137.09685	1.5
141.08994	0.4
147.04474	1.6
147.11745	1.6
149.02477	0.4
149.06023	1.0
149.13290	1.0
150.06816	1.2
151.07582	2.1
160.05223	0.9
161.06003	3.1
162.06737	2.8
163.74829	0.4
165.09114	0.9
175.07567	1.9
175.14850	4.3
178.02585	0.6
180.80704	0.4
193.03534	0.5
193.05070	1.7
193.08611	10.0
193.10233	1.0
193.12285	1.0
193.15887	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	193.0861
Annotation	3,4-Dimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
51.02374	0.7
53.03943	1.6
55.01875	100.0
55.05504	1.0
57.03447	1.3
59.43071	0.6
65.37841	0.6
67.05503	1.6
68.45450	0.6
69.03437	2.6
69.45861	2.1
69.46285	3.3
70.63651	0.6
77.15622	0.8
79.05495	8.1
80.00681	0.6
81.07062	3.7
81.25297	0.7
83.08556	0.7
90.04710	2.2
91.05481	6.6
93.07035	3.7
94.04228	1.5
95.04971	3.2
95.08636	3.3
98.21442	1.5
102.04652	0.9
103.05469	17.0
104.06240	2.8
105.07034	13.5
107.04934	4.0
107.08598	3.9
109.06509	3.7
109.10159	1.4
111.08077	0.8
115.05469	4.2
117.07021	1.4
118.04160	7.1
119.04950	2.7
119.08594	5.6
121.02889	1.4
121.06508	5.6
122.03648	5.0
123.04451	2.4
123.08091	1.5
123.11742	1.1
124.05209	0.9
125.05992	2.0
129.06989	0.7
130.04147	2.5
131.04938	14.2
132.05717	14.0
133.02832	1.0
133.06499	26.2
133.10146	7.7
134.03610	0.8
134.07274	1.3
135.04413	7.2
135.08070	2.1
135.11746	4.4
137.05986	14.0
137.09621	1.2
146.03581	1.4
147.04417	10.4
147.08080	0.8
147.11705	1.8
148.05122	1.7
149.06001	8.9
149.13376	0.6
150.06775	11.4
151.03972	1.1
151.07526	4.0
160.05215	16.4
161.05992	44.9
162.06755	16.2
163.03867	1.2
163.07512	1.6
164.08273	1.1
165.05457	2.4
165.09131	6.3
175.07549	40.0
175.14853	5.3
177.05467	4.2
178.06311	4.1
178.07727	1.2
193.04997	3.8
193.08615	57.7
193.10048	2.1
193.15910	5.5
194.08984	1.4
195.88319	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	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03938	2.3
55.01881	4.9
55.05504	3.1
57.07064	0.9
58.57564	0.8
65.03957	1.3
66.04726	1.0
67.05508	6.5
69.07073	2.1
70.63687	2.6
77.03934	1.1
79.05505	13.9
81.03407	1.4
81.07072	6.3
83.04986	2.1
83.08632	2.1
85.06540	2.8
90.04715	2.2
91.05489	11.9
91.49532	0.8
93.07053	6.7
94.22435	0.7
95.04974	4.1
95.08605	5.9
97.06506	0.8
99.08101	5.0
103.05488	15.9
104.06267	2.5
104.42675	1.0
105.03400	0.9
105.07040	100.0
106.07393	1.3
107.04982	1.8
107.08624	7.3
109.06538	2.8
109.10166	7.3
111.08098	0.8
115.05463	23.1
118.04178	10.0
119.04963	1.0
119.08585	12.0
119.11357	0.8
121.06444	1.0
121.10156	3.3
123.08096	1.7
123.11732	1.4
125.09531	0.9
131.04951	3.0
131.08565	1.7
132.05739	1.6
133.06503	87.3
133.10141	14.5
135.04465	1.1
135.11716	9.8
137.06010	1.2
137.09622	3.6
143.05035	1.9
143.06075	5.3
147.04401	1.5
147.08072	1.6
147.11629	4.1
148.05133	0.8
149.02388	1.3
149.06027	2.4
149.13278	1.6
150.06757	1.5
151.07549	1.3
160.05185	1.3
161.06003	82.6
162.06653	2.7
165.05458	1.3
165.09140	3.8
175.11203	1.7
175.14844	8.4
178.02591	1.1
178.06256	1.1
193.04980	3.8
193.08640	29.4
193.12300	3.6
193.15906	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	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02383	0.7
53.03955	2.0
55.01880	4.4
55.05512	5.6
55.10643	0.5
56.96571	0.7
57.03437	1.1
57.07070	1.5
59.99439	0.4
63.74929	0.5
64.94732	0.5
65.03950	0.8
66.04715	0.9
67.05505	8.0
69.03413	1.0
69.07067	5.7
69.94406	2.6
71.04989	1.9
77.03937	0.9
79.05496	17.4
81.03423	4.1
81.07063	12.6
83.04978	3.0
83.08621	1.8
85.06545	3.6
90.04726	0.7
91.05486	13.7
93.07051	10.5
95.04973	5.6
95.08614	14.7
97.02898	0.8
97.06538	1.8
97.10191	0.8
99.08094	5.1
103.05474	15.8
104.06276	1.2
105.07037	100.0
106.07353	1.1
107.04978	1.4
107.08594	12.4
109.06522	3.5
109.10159	13.7
111.08086	1.2
115.05461	19.4
115.06270	1.1
117.07020	1.7
118.04163	10.3
119.08588	26.2
121.06521	1.3
121.10154	6.0
123.02740	0.5
123.08094	5.0
123.11725	3.2
125.09618	1.6
125.50353	0.5
129.06996	1.0
131.04922	3.8
131.08582	2.1
132.05701	1.7
133.06500	79.6
133.10130	21.3
134.06813	0.9
135.04469	0.7
135.08073	1.1
135.11705	10.9
137.05988	2.0
137.09621	6.6
143.04950	1.8
143.06067	5.9
146.97372	0.7
147.04431	2.5
147.08090	1.4
147.11697	6.4
148.07770	0.6
149.02394	2.3
149.06050	0.9
149.09602	0.6
149.13338	2.8
150.06754	1.3
151.07568	1.2
151.11154	2.7
151.14879	1.1
160.05188	1.0
161.05995	78.7
162.06552	1.7
165.05547	0.7
165.09137	1.8
165.12788	1.2
165.16417	1.0
175.03893	1.0
175.07527	1.1
175.11270	1.8
175.14848	20.6
178.00783	0.6
178.02602	1.2
178.06248	1.1
193.03186	0.8
193.04977	6.1
193.08614	20.1
193.10039	1.0
193.12199	2.7
193.15904	18.0
193.17645	0.9
214.95444	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	193.086
Annotation	3,4-Dimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
50.87099	1.1
53.03951	1.4
55.01875	100.0
55.05512	1.8
58.95064	1.1
63.06464	1.1
65.03928	3.8
66.04702	1.5
67.05499	1.5
69.03424	3.7
69.07090	1.1
78.04668	1.3
79.05506	11.6
81.07042	4.5
83.04984	1.5
90.04675	1.6
91.05479	10.4
92.02599	1.1
93.07039	3.6
95.04983	6.5
95.08609	2.6
98.20717	3.2
102.04660	1.4
103.05471	18.0
104.06262	3.0
105.07036	22.2
106.52532	1.1
107.04984	7.0
107.08582	2.1
109.06504	3.2
109.10143	3.8
111.04458	1.0
115.05456	3.9
117.07054	1.4
118.04169	11.3
119.04957	5.6
119.08556	3.8
120.05708	2.3
121.02881	2.4
121.06498	6.6
121.10131	1.5
122.03632	4.5
122.07274	2.1
123.04408	3.8
123.08061	1.8
124.30289	1.1
125.06016	1.9
130.04143	2.5
131.04935	14.3
132.05716	14.1
133.02831	3.3
133.06497	50.5
133.10118	4.5
134.07256	2.7
135.04439	9.8
135.08057	4.1
135.11713	2.3
136.05206	2.1
137.05994	13.1
137.09605	1.9
139.03824	1.5
146.97456	3.5
147.04402	21.0
147.08040	1.6
147.11670	1.6
148.05157	2.5
149.02365	38.3
149.03473	4.0
149.06030	10.6
150.06770	20.4
151.03900	1.6
151.06413	2.0
151.07562	23.2
151.11122	1.2
157.07758	1.2
160.05199	19.6
161.05988	44.8
162.06767	40.7
163.07509	4.0
165.05505	3.3
165.09114	24.9
169.03487	1.5
170.03484	5.7
171.01471	1.4
175.07536	35.7
175.11154	1.8
175.14854	2.7
177.05460	4.0
178.02596	3.0
178.06264	6.3
178.07945	4.0
179.07013	5.6
193.03264	2.0
193.04993	31.6
193.08617	72.1
193.10271	6.9
193.12291	4.7
193.15903	4.3
194.09392	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.98366	1.1
51.42113	1.0
53.03946	1.2
55.05519	11.4
57.07069	1.9
58.65445	1.2
67.05509	11.6
69.03408	1.5
69.06722	2.2
69.07075	33.4
69.07449	1.7
69.55059	7.4
79.05503	10.6
81.07067	12.1
81.78520	1.2
83.08631	10.0
91.05483	6.8
93.07055	38.5
95.04965	1.2
95.08614	64.5
97.10191	7.9
105.07040	5.1
107.08604	47.2
109.10166	28.8
111.11725	2.7
119.08583	2.2
121.10155	63.5
123.11729	6.3
131.08592	2.6
133.10155	2.7
135.08035	1.7
135.11707	49.1
145.10159	1.5
146.05981	3.6
147.11761	1.5
149.13249	10.6
163.11180	1.3
163.14828	2.8
168.34459	1.3
173.13277	2.0
177.04262	1.5
177.07886	2.6
191.09042	1.7
191.10706	3.3
191.14317	6.3
191.17964	100.0
192.06567	1.5
192.10271	4.2
192.18373	1.7
209.88863	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.33661	1.1
53.03932	1.8
54.26820	1.3
55.05511	17.0
57.07073	2.4
67.05510	13.6
69.07072	41.4
77.01223	1.5
79.05495	14.2
81.07063	16.2
83.08614	16.1
91.05479	7.6
93.07051	45.5
95.08611	78.7
97.10190	9.7
98.20741	3.8
105.07034	5.7
107.08603	59.6
109.10158	39.1
111.11748	1.7
119.08588	3.5
121.10150	86.9
123.11740	6.9
133.10138	1.6
135.11708	63.4
145.10149	1.6
147.11665	2.3
149.13275	12.5
163.14853	2.9
191.10764	1.5
191.14319	3.1
191.17958	100.0
192.18250	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03949	2.0
55.05513	13.8
56.31859	1.0
57.07069	3.1
62.83013	1.2
65.03941	1.2
67.05510	17.3
69.03428	2.6
69.07073	37.8
70.01340	3.9
79.05492	12.9
81.07061	17.3
83.04984	1.9
83.08626	14.4
91.05486	9.1
93.07052	46.7
95.04964	1.8
95.08610	68.8
97.10199	7.9
105.07024	8.6
107.08602	57.4
109.06535	2.6
109.10162	41.9
110.10461	1.3
111.11796	1.4
114.57521	1.1
117.06984	1.6
119.08576	4.3
121.06516	2.1
121.10152	82.3
122.10448	1.4
123.08052	1.8
123.11711	7.0
131.08582	4.1
133.10136	6.9
135.08116	5.4
135.11700	61.5
143.08559	1.9
145.10124	4.6
146.06053	2.3
147.11691	3.8
149.09613	2.8
149.13255	17.8
158.10930	1.7
163.14760	1.8
173.09671	1.3
173.13287	4.4
177.04147	1.3
177.07820	5.3
178.87671	1.1
191.09148	1.4
191.10602	5.1
191.14339	19.7
191.17961	100.0
192.06514	1.9
192.10214	7.3
192.18332	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05516	15.0
57.07066	5.0
57.99781	1.4
58.59608	1.2
63.33515	1.3
67.05510	19.5
69.03420	3.8
69.07072	41.7
69.64677	8.1
79.05499	20.1
81.06585	1.3
81.07064	20.9
83.04977	2.5
83.08617	14.9
84.76517	1.2
91.05505	12.2
93.07051	53.1
95.04959	3.2
95.08613	82.5
97.10170	9.7
98.21474	2.4
105.03545	1.3
105.07034	14.1
107.04938	2.6
107.08599	67.3
109.06501	2.9
109.10161	39.1
111.11668	2.7
115.05442	1.7
117.07012	1.3
119.08566	5.6
121.06477	4.6
121.10149	87.4
123.11719	9.2
124.78297	1.3
131.07652	1.5
131.08556	7.8
133.10124	7.9
135.08076	8.2
135.11702	63.3
145.10127	8.0
146.05962	3.0
147.11673	5.4
148.05107	1.5
149.09631	4.9
149.13266	16.9
163.07487	1.4
163.11230	1.5
163.14871	1.8
173.09624	3.4
173.13284	7.6
177.07851	3.6
190.07712	2.5
191.03232	1.7
191.05566	1.3
191.06995	2.7
191.08519	5.7
191.10628	8.4
191.14331	28.7
191.17955	100.0
192.06514	2.2
192.10182	5.5
192.18176	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.0
53.03946	4.6
55.01868	2.0
55.05510	10.5
57.03444	1.2
57.07065	3.2
59.04987	1.8
59.54575	0.8
65.03940	1.9
67.05502	11.0
69.03435	34.1
69.06778	0.8
69.07077	9.4
69.56980	3.4
69.57401	3.1
71.04999	1.4
77.03918	1.4
79.05496	51.2
81.03417	1.0
81.07061	41.3
83.04538	1.5
83.04984	17.2
83.08627	2.6
85.06553	3.7
91.05480	22.3
93.07047	20.1
95.04961	5.8
95.08598	9.6
97.06548	4.1
103.05475	3.4
105.04522	1.3
105.06378	1.5
105.07044	23.7
107.04964	28.6
107.08601	73.1
109.06535	6.8
109.10166	8.6
111.08089	2.4
115.05468	1.8
116.06274	1.2
117.07011	3.7
118.07764	1.0
119.06062	1.6
119.08582	10.7
121.06526	13.6
121.10151	23.9
122.07281	3.0
123.08044	6.0
129.07034	2.4
131.04933	1.1
131.08580	17.8
133.06523	2.6
133.10139	63.3
135.08058	16.6
135.11699	4.9
136.08862	2.4
136.61923	1.1
137.09622	17.9
143.08640	4.1
144.09360	2.1
145.10121	9.7
147.08125	1.2
147.11688	7.7
148.05136	0.8
149.09604	7.5
149.13275	14.7
153.11832	0.8
158.10902	9.5
161.09637	4.1
163.07578	2.6
163.14806	3.6
173.13287	24.4
176.12039	1.0
191.07063	3.2
191.10660	3.6
191.14322	100.0
192.93546	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
53.03944	1.0
54.41101	1.2
55.05517	6.2
57.07059	1.8
61.90278	1.1
67.05519	5.2
69.03436	2.9
69.07078	9.9
69.69685	2.1
69.70103	4.5
71.04996	2.1
75.67106	1.1
79.05498	8.8
81.07053	12.6
83.04987	2.9
83.08613	3.1
91.05487	16.6
93.07051	22.1
95.04989	6.4
95.08608	18.6
97.06541	5.8
97.10187	1.1
103.05458	1.5
105.07041	24.1
107.04941	2.7
107.08601	29.0
109.06535	3.7
109.10155	5.1
111.08054	1.7
115.05491	1.5
117.07042	5.2
119.08592	14.3
121.06514	95.0
121.10147	16.2
123.08067	2.1
129.06998	2.5
130.07785	1.5
131.08580	20.0
133.10136	11.4
135.08058	13.5
135.11723	8.2
143.08582	3.4
144.09325	1.6
145.06581	1.3
145.10136	13.4
146.06090	1.3
147.08025	2.0
147.11685	16.2
148.08856	1.8
149.09627	6.7
149.13281	9.0
158.10893	4.4
161.09656	2.8
161.13301	2.1
162.10420	1.7
163.11188	2.8
163.14824	7.9
173.09630	1.6
173.13271	23.5
176.11984	6.5
177.07936	1.3
191.06935	1.9
191.08643	1.8
191.10692	4.5
191.14325	100.0
191.17938	5.0
192.10179	1.8
208.01729	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	6.0
55.05513	10.4
56.38194	1.5
57.07066	3.5
67.05512	10.7
69.03078	2.4
69.03438	39.1
69.07092	8.2
69.50887	8.6
69.51310	5.6
79.05060	3.5
79.05502	59.8
81.03428	2.2
81.07063	52.2
83.04987	20.6
85.06549	3.4
91.05492	21.9
93.07047	23.6
95.04961	7.1
95.08623	10.6
97.06527	1.9
100.69768	1.8
103.05507	1.9
105.07043	25.2
107.04276	3.4
107.04966	38.9
107.08603	91.3
109.06531	7.1
109.10204	8.9
109.10821	1.7
110.07321	2.2
116.49453	1.5
117.07060	2.8
119.06105	2.1
119.08548	9.7
120.88787	1.9
121.06516	13.5
121.10155	23.2
122.07258	2.2
123.08043	4.7
129.07050	2.3
131.08594	22.1
133.06519	1.8
133.10144	84.2
135.08040	14.1
135.11696	5.0
136.08876	4.0
137.09628	15.9
143.08548	3.7
145.10123	8.6
147.11697	7.4
149.09663	5.0
149.13287	16.0
158.10921	9.7
161.09645	3.6
163.14859	4.1
173.13245	26.7
191.14331	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70514	0.8
53.03935	1.9
55.01874	0.8
55.05509	5.5
57.03441	1.3
57.07073	1.6
59.05008	1.7
65.03942	1.6
65.17895	0.8
67.05511	5.9
67.14703	0.9
69.03076	1.4
69.03434	19.5
69.07079	7.9
70.74191	1.2
70.74522	1.5
79.05060	1.4
79.05502	23.5
81.03410	1.2
81.07069	18.3
81.15437	0.9
83.04981	7.5
83.08606	2.3
85.06551	1.5
90.67323	0.8
91.05486	13.5
93.07056	13.2
95.04958	3.4
95.08603	3.8
103.05488	1.5
105.07034	18.5
107.04961	11.2
107.08604	40.0
109.06525	2.6
109.10159	8.9
111.08084	1.0
115.05419	1.1
117.07019	3.0
119.08591	7.1
119.78139	0.9
121.06511	6.5
121.10155	18.7
122.07266	3.1
123.08076	3.3
129.06996	2.2
130.07753	0.9
131.08585	11.5
133.10141	100.0
135.08061	8.3
135.11674	5.5
136.08876	1.0
137.09633	18.4
143.08556	3.7
145.10152	6.5
147.07976	1.3
147.11717	5.2
149.09630	4.3
149.13272	14.9
158.10948	7.7
161.09639	2.0
163.14832	3.5
173.13268	20.0
176.11926	1.2
191.07057	1.5
191.10710	1.8
191.14322	52.1
191.17947	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.05511	3.8
55.15838	0.5
57.03441	1.2
57.07081	1.2
62.13746	0.6
67.05499	3.8
69.03432	12.0
69.07068	5.5
69.46470	4.5
78.42087	0.6
79.05498	9.5
81.03423	1.2
81.07060	7.7
83.04999	2.9
83.08616	0.9
85.06544	1.0
87.50809	0.6
91.05486	9.2
93.07049	7.0
95.04968	1.8
95.08615	4.0
97.06532	0.7
99.47421	0.6
105.07033	14.0
107.04958	5.2
107.08598	25.7
109.06538	2.4
109.10158	8.6
111.08115	0.6
115.05443	1.2
117.07039	1.6
118.07845	1.3
119.08608	5.0
121.06499	2.7
121.10152	15.0
122.07323	1.8
123.08066	2.3
129.07005	1.3
131.08572	9.6
133.10138	100.0
134.10548	1.1
135.08067	4.5
135.11647	3.1
137.09627	15.0
143.08575	3.1
144.09380	0.7
145.10115	4.5
147.11603	3.1
149.09619	1.3
149.13249	11.6
149.14363	0.9
158.10907	5.6
163.14862	2.7
173.13281	16.3
191.06894	1.0
191.14316	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
55.05505	7.2
57.03429	2.3
57.07065	4.0
67.05508	12.8
69.03416	7.1
69.07078	12.9
70.56519	4.4
71.04987	3.3
79.05495	16.3
81.07071	19.4
83.04984	9.6
83.08616	3.4
85.06546	3.3
91.04957	2.9
91.05487	31.8
93.07053	28.4
95.04956	6.2
95.08608	19.5
97.06528	6.5
103.05484	8.9
105.07039	82.4
107.04939	4.0
107.08605	48.2
109.06522	5.3
109.10166	9.7
111.08070	2.0
115.05483	2.5
116.06229	3.7
117.06998	12.5
118.04159	3.7
119.08591	51.6
121.06510	8.9
121.10160	27.1
123.08041	4.5
123.11653	2.2
128.06245	1.9
129.06999	11.7
130.04185	3.2
130.07779	5.1
131.04921	6.4
131.08577	99.1
133.06476	3.1
133.10139	60.6
135.08066	14.0
135.11661	8.7
140.71692	1.5
143.08580	17.4
144.09346	7.7
145.06483	1.8
145.09032	3.3
145.10136	50.1
145.11285	2.5
147.08112	3.6
147.11678	21.5
148.05196	4.6
149.09650	12.3
149.13249	13.9
158.10925	27.5
159.11583	2.5
160.05086	3.3
160.12480	2.5
161.09598	1.9
161.13258	42.2
163.07567	6.0
163.11223	3.2
163.14821	14.8
171.11740	2.5
173.09636	2.5
173.13272	78.0
176.04660	3.2
176.11859	1.8
191.07053	11.5
191.08586	2.0
191.10652	7.2
191.14319	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
53.79393	0.5
55.01863	1.8
55.05264	0.6
55.05516	6.6
57.03421	0.9
57.07063	2.3
65.03927	0.9
65.21387	0.5
67.05507	4.5
69.03433	19.4
69.06725	0.5
69.07073	9.4
69.32134	4.6
71.04982	1.5
79.05058	0.7
79.05497	9.1
81.06635	0.7
81.07063	6.3
83.04987	14.8
83.08599	3.1
85.06532	2.0
91.04962	0.9
91.05489	12.8
93.07056	11.0
95.04970	2.1
95.08616	5.5
97.06522	2.8
97.10117	0.6
103.05468	2.3
105.07038	16.5
107.04966	2.5
107.08600	31.4
109.06520	3.8
109.10166	2.2
111.08083	1.0
115.05479	1.8
116.06198	0.5
117.07030	5.8
118.04190	0.8
119.06026	0.5
119.07794	0.8
119.08595	13.9
121.06513	9.1
121.10156	16.6
123.08079	2.8
128.06177	0.7
129.07037	3.6
130.04150	0.7
130.06523	3.7
130.07767	1.5
131.04903	1.1
131.06915	14.0
131.08568	22.7
132.76384	0.5
133.06487	1.1
133.10135	21.7
134.10904	0.5
135.04405	0.8
135.08057	17.5
135.11688	4.4
136.08813	1.4
137.09625	1.2
143.08578	5.4
144.09380	2.5
145.06497	1.3
145.10132	16.3
147.08032	1.8
147.11699	9.9
148.05186	1.0
148.08833	1.3
149.04289	0.9
149.06067	0.5
149.09630	8.4
149.13251	5.4
150.10406	0.7
157.10152	0.6
158.10916	9.6
160.05118	0.8
161.09637	5.5
161.13275	3.3
163.07585	1.5
163.11163	1.5
163.14835	2.1
171.11656	0.7
173.09615	1.9
173.13268	25.3
176.11963	4.3
191.03419	0.8
191.07043	2.5
191.10745	5.5
191.14319	100.0
192.14688	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.03176	1.9
52.76652	1.9
53.03944	2.2
55.05510	4.8
57.03431	2.3
57.07108	2.1
65.09068	1.8
67.05504	7.6
69.07068	6.6
70.16686	8.5
71.04984	3.1
79.05505	9.4
81.01358	2.4
81.07053	13.3
83.04977	8.0
83.08630	2.7
91.05484	28.0
93.07063	15.4
93.22550	1.8
95.04980	6.0
95.08622	13.1
97.06496	3.6
103.05464	15.2
105.07034	80.7
107.08591	31.6
109.06524	5.0
109.10171	6.9
115.05456	4.2
117.07037	15.3
118.04162	5.3
119.08596	43.4
121.06524	3.3
121.10147	15.2
129.07016	12.7
130.07794	3.1
131.04945	8.0
131.08574	100.0
133.02811	1.9
133.10141	33.6
135.08063	9.7
135.11719	5.5
143.08556	17.1
144.09352	8.4
145.10146	46.3
147.04369	2.0
147.11682	10.3
148.05208	8.7
149.13255	8.5
157.10170	2.5
158.10933	25.3
159.11653	3.4
160.05072	2.3
161.13274	47.7
163.07578	8.7
163.14839	17.9
171.11676	3.0
173.13280	86.2
176.04781	1.9
191.07004	9.6
191.10683	2.2
191.14316	57.6
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
55.01873	1.4
55.05512	4.1
57.07067	1.6
67.05498	2.5
69.03072	1.1
69.03435	17.1
69.07072	5.5
70.85169	1.6
70.85503	1.3
71.04977	0.8
75.29987	0.6
77.03884	0.7
79.05485	4.4
81.07044	2.8
83.04988	16.0
83.08635	1.1
85.06525	1.1
91.05481	8.3
91.19628	0.6
93.07045	5.9
95.04963	2.0
95.08624	4.1
97.06521	1.5
105.07043	9.6
107.04945	1.5
107.08608	23.1
109.06499	2.2
109.10165	1.7
111.08047	1.2
115.05473	1.0
117.07020	1.4
119.08587	9.2
121.06522	6.9
121.09318	1.0
121.10153	13.1
123.08059	1.3
127.78224	0.7
129.07043	1.8
131.08577	18.6
133.10136	10.6
135.07118	1.0
135.08072	12.9
135.11674	2.0
136.08853	2.0
143.08580	4.4
144.09442	0.9
145.10136	8.8
147.08011	1.3
147.10771	0.7
147.11708	6.6
148.08864	0.9
149.09601	5.7
149.13278	3.4
153.60609	0.7
158.10919	8.3
160.05081	2.2
161.09676	5.5
161.13341	1.1
163.07570	0.9
163.11171	0.8
163.14842	1.7
173.09702	0.8
173.13275	17.2
176.12016	3.7
185.05061	0.7
191.04497	0.9
191.10654	2.9
191.14323	100.0
192.14630	1.0
204.50012	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71411	1.6
53.03936	3.8
55.01861	2.8
55.05510	7.5
57.03407	2.2
57.07052	3.5
59.04993	1.6
63.51962	1.7
67.05502	7.5
69.03431	10.4
69.07066	18.3
69.92114	1.7
70.70898	4.5
71.04990	4.1
79.05058	1.9
79.05490	20.7
81.03439	2.0
81.07051	17.4
83.04987	8.8
83.08610	4.9
85.06544	6.5
91.05482	37.6
93.06131	1.5
93.07051	26.6
95.04984	7.7
95.08615	15.5
97.06541	9.3
101.49184	1.6
102.04753	1.9
103.05466	6.7
105.07039	50.8
107.04999	3.7
107.08599	51.1
109.06518	11.8
109.10165	8.4
111.08073	2.4
115.05444	4.8
116.06232	3.3
116.21882	1.4
117.07017	16.0
118.04153	1.9
118.07811	1.8
119.06013	1.4
119.08585	33.7
121.06510	13.6
121.10153	28.1
123.08076	11.0
128.06190	1.5
129.06999	11.3
130.07779	4.1
131.04895	2.8
131.08574	100.0
133.06564	2.0
133.10138	98.7
134.10411	1.8
135.08063	23.8
135.11717	6.2
140.52377	1.5
142.07849	1.6
143.08560	17.9
144.09343	6.1
145.06499	3.6
145.10127	49.8
147.08078	6.8
147.11696	21.6
148.08847	3.1
149.09642	24.6
149.13246	22.7
155.08469	2.2
158.10918	22.8
160.05061	46.2
161.09596	2.6
161.13254	4.7
163.07565	6.6
163.11200	5.3
163.14929	8.7
163.16095	1.5
173.09695	10.6
173.13263	84.1
176.04721	1.9
191.06908	3.2
191.08426	2.1
191.09016	2.2
191.10695	21.0
191.14325	93.9
192.07744	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03951	1.1
55.01874	0.7
55.05508	3.9
56.86509	0.5
57.03448	0.6
57.07069	1.1
57.76768	0.6
63.51302	0.4
65.03932	1.0
67.05518	4.3
69.03431	16.1
69.07072	13.8
70.64561	1.4
71.05005	1.2
79.05495	7.7
81.07066	4.9
83.04987	3.8
83.08622	1.8
85.06543	1.5
91.05484	13.5
93.07048	8.1
95.04980	1.5
95.08601	6.5
97.06530	3.0
103.05479	1.0
105.07034	13.5
107.04990	1.3
107.08597	17.2
109.06535	5.1
109.10161	2.6
111.08087	3.7
111.82908	0.5
115.05434	1.9
116.06250	1.5
117.07024	4.1
118.26376	0.5
119.08584	11.0
121.06490	3.9
121.10145	11.4
123.08085	4.2
127.59907	0.5
128.06227	1.0
129.06987	5.1
130.07797	1.8
130.40628	0.5
131.08577	16.1
132.05580	2.3
132.09326	0.6
133.06453	0.5
133.10138	7.1
135.05513	0.7
135.08063	16.2
135.11697	4.0
137.09683	1.1
137.52419	0.5
139.09766	0.5
143.08557	8.0
144.09390	2.6
145.06459	0.8
145.10127	9.9
146.06029	0.7
147.08090	0.7
147.11699	4.1
148.08881	0.6
149.09612	7.6
149.13274	5.4
150.10509	0.6
156.09520	0.6
158.10910	8.2
160.05074	100.0
161.09634	1.2
163.07487	0.7
163.11235	1.3
163.14842	2.3
171.11632	0.6
172.35344	0.8
173.06012	2.0
173.13274	21.0
176.11957	1.0
191.06964	1.1
191.10677	1.6
191.14319	56.4
192.07698	17.3
192.14644	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	0.3
55.01877	0.3
55.05513	1.1
57.07062	0.3
67.05505	1.1
69.03419	0.6
69.07071	2.8
70.99725	0.3
71.04985	0.5
76.22173	0.2
79.05489	2.3
81.07057	2.2
83.04980	0.6
83.08636	0.6
85.06540	0.3
91.05486	2.0
93.07050	4.7
95.04971	0.5
95.08615	4.7
97.06538	7.4
97.10180	0.3
102.04677	0.3
105.07035	4.0
107.04946	0.6
107.08604	9.1
109.06503	0.8
109.10182	2.0
111.08096	0.3
117.07017	0.9
119.07787	0.3
119.08591	4.6
120.05664	0.2
121.06516	5.4
121.10152	5.2
123.08070	0.7
123.11716	0.5
129.07030	0.7
130.04167	0.2
130.07820	0.3
131.08575	7.6
133.06526	0.7
133.10138	2.5
135.08060	2.1
135.11688	2.7
143.08557	1.4
144.09373	0.5
145.10141	2.6
147.04410	2.2
147.08063	2.8
147.11673	1.7
148.05209	1.3
148.08820	2.9
149.09636	4.1
149.13258	1.5
158.10886	0.9
161.09628	3.8
161.13275	0.6
162.10405	1.6
163.07570	0.2
163.11182	0.7
163.14841	1.6
173.09674	0.3
173.13271	3.5
175.11205	1.1
176.04695	1.1
176.11978	16.9
191.07072	3.6
191.14314	100.0
192.14697	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
55.05499	1.5
57.07062	1.1
66.84496	0.4
67.05500	0.9
69.03417	1.1
69.07071	2.5
69.56898	1.5
69.57317	1.1
71.04987	0.7
79.05490	2.4
81.07044	2.1
83.04978	0.6
83.08576	0.7
91.05476	3.3
93.07044	5.1
95.04977	0.5
95.08609	4.2
97.06541	6.1
100.51321	0.4
105.07024	4.0
107.08598	9.1
109.06483	0.8
109.10150	1.5
116.06245	0.4
117.07046	1.3
119.08600	4.7
121.06535	3.4
121.10148	4.1
123.08055	0.6
129.06999	0.9
130.07738	0.5
131.08580	6.1
133.06479	0.6
133.10132	2.8
135.08081	2.1
135.11685	2.4
138.88336	0.4
140.34891	0.4
143.08592	1.0
145.10120	2.4
147.08060	2.4
147.11664	1.7
148.05180	0.5
148.08832	2.7
149.09625	3.7
149.13225	1.5
158.10904	1.2
161.09685	2.7
161.13332	0.5
162.10376	1.5
163.07616	0.4
163.11166	2.2
163.14859	2.0
173.13264	3.0
175.11176	1.1
176.04596	0.4
176.10413	0.7
176.11971	15.7
191.07123	2.2
191.14310	100.0
192.14644	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	1.2
55.01870	1.0
55.05304	0.6
55.05516	7.0
57.03443	1.1
57.07067	1.8
58.20629	0.7
65.03933	1.5
67.05515	10.0
67.08395	0.6
69.03436	9.6
69.07074	8.4
71.02599	0.6
71.04988	4.6
71.58621	1.0
79.05055	1.1
79.05497	13.5
81.03393	0.8
81.07065	14.2
83.04995	3.8
83.08617	2.7
85.06522	2.0
91.05489	17.1
93.06472	1.2
93.07050	18.0
95.04996	6.1
95.08619	13.2
97.06548	4.9
97.41600	0.7
103.05460	4.5
105.07040	25.3
106.27292	0.6
107.04952	6.2
107.08605	33.4
109.06537	9.7
109.10163	17.0
111.04417	1.1
111.08063	1.5
115.05461	2.0
116.06232	2.2
117.07033	9.1
118.04161	1.5
119.04945	1.4
119.08595	11.6
121.06521	11.0
121.10155	25.6
122.07333	0.9
123.08064	7.2
123.11698	1.8
128.05078	0.6
128.06192	1.0
129.07060	3.5
130.04228	1.1
130.07841	4.0
131.04926	3.5
131.08585	41.3
132.05743	0.8
133.02882	1.0
133.06487	2.4
133.10144	31.3
135.04384	1.0
135.08058	18.9
135.11707	8.5
137.09636	4.7
143.08583	4.2
144.09331	1.0
145.06491	2.1
145.07564	1.2
145.10135	26.8
145.11282	1.6
146.05946	1.4
147.04387	1.4
147.08031	2.9
147.11696	9.4
148.05174	2.3
148.08842	1.4
149.06036	1.2
149.09645	16.6
149.10721	0.6
149.13275	12.3
158.10899	5.2
160.05144	1.2
161.09641	2.3
162.10434	1.3
163.03928	1.5
163.07571	4.3
163.11209	6.0
163.14854	4.4
173.05975	1.4
173.09644	6.2
173.13284	24.5
175.38579	0.9
176.04720	1.9
176.08434	1.8
176.11967	4.1
191.03398	3.1
191.05318	1.0
191.07031	7.5
191.10706	21.7
191.14326	100.0
192.10233	1.3
192.14655	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01872	0.5
55.05504	2.2
56.99327	0.4
57.07076	0.6
65.03940	0.5
67.05499	2.0
69.03419	1.9
69.07084	3.3
70.49602	0.6
70.49929	1.0
71.04999	0.8
79.05500	3.8
81.07076	3.1
83.04990	0.9
83.08637	1.0
85.06544	0.6
89.03892	0.5
91.05492	5.1
93.07057	5.7
95.04970	0.7
95.08619	5.1
97.06552	5.2
102.04671	1.9
103.05462	0.6
105.07030	5.9
106.04179	0.5
107.04959	1.3
107.08603	10.1
109.06506	1.6
109.10162	1.8
111.08099	0.6
117.07018	1.4
118.04167	0.6
119.04941	0.9
119.08606	5.5
120.05683	0.8
121.06523	4.7
121.10153	5.6
123.08080	1.0
123.11777	0.6
129.07025	1.0
130.04150	1.5
130.07806	0.7
131.04955	1.3
131.08580	9.9
133.02835	1.1
133.06493	0.7
133.10141	3.3
135.08066	4.3
135.11684	3.5
137.09663	0.5
143.08611	1.3
145.06456	0.6
145.10135	4.4
146.05983	0.9
147.04425	14.8
147.08066	3.4
147.11674	2.8
148.05222	8.6
148.08827	2.6
149.09625	3.6
149.13289	2.6
158.10915	1.1
160.08827	1.1
161.09647	3.6
161.13248	0.9
162.10449	1.6
163.07602	2.2
163.11137	0.9
163.14835	2.9
173.09583	0.7
173.13266	5.7
175.04024	0.4
175.11191	0.9
176.04706	7.2
176.11986	14.6
191.03407	0.8
191.07056	24.2
191.10727	4.8
191.14325	100.0
192.10132	0.6
192.14651	1.6
192.17537	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	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03938	1.2
55.01864	2.8
55.05519	1.4
67.05522	7.0
69.03416	1.2
69.07061	1.6
69.55514	2.2
69.55920	4.2
71.05001	2.3
71.31513	0.9
79.05499	19.7
81.03413	1.8
81.07063	2.4
83.04971	3.4
91.05492	30.4
93.07048	8.6
95.04990	6.6
103.05471	2.3
105.07046	17.0
107.04977	9.9
107.08606	13.4
109.06501	3.0
115.05450	2.7
116.06232	4.5
117.07034	18.8
119.08591	14.0
121.06519	9.8
121.10151	5.0
123.08041	1.3
128.06232	2.2
129.07018	13.2
130.07796	7.3
131.04915	1.7
131.08580	100.0
132.05701	1.2
132.08885	1.3
133.06512	1.5
133.10095	1.5
135.04440	2.6
135.08070	4.2
135.11696	2.7
143.08560	4.0
145.06497	9.0
145.10132	58.1
147.08061	13.5
147.11670	1.4
149.05975	3.1
149.09630	17.8
153.06981	1.3
155.08534	3.4
158.07361	1.3
160.05124	5.3
163.07552	18.1
163.11211	8.1
173.09634	28.9
173.13257	3.3
191.10689	86.2
191.14334	3.3
192.10957	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01862	3.1
55.05515	11.0
57.03432	1.2
57.07063	2.7
59.04983	1.1
65.03935	2.1
67.05510	11.7
69.03434	31.5
69.07072	12.2
70.64908	1.8
70.65270	2.2
71.04984	1.2
79.05499	32.8
81.03415	1.5
81.07063	30.9
83.04982	14.4
83.08638	5.1
85.06550	1.1
91.05486	22.0
93.07051	23.0
95.04969	5.6
95.08620	13.6
97.06544	3.3
97.10156	1.6
103.05470	5.7
105.07033	29.0
107.04971	17.0
107.08601	66.4
109.06535	7.2
109.10155	14.2
111.08058	2.3
115.05457	3.2
116.06263	1.2
117.07025	10.1
118.04168	2.7
119.08588	13.2
121.06517	14.2
121.10149	34.3
122.07316	4.4
123.08092	4.8
123.11687	1.5
129.06995	4.7
130.07767	3.2
131.04906	4.0
131.08580	32.8
133.10138	100.0
135.04396	1.6
135.08078	18.6
135.11703	12.4
136.08817	1.4
137.09625	18.6
143.08560	7.6
144.09329	2.5
145.06482	2.3
145.10136	27.0
146.06030	1.4
147.04500	1.4
147.08046	2.9
147.11691	11.0
148.05193	2.4
148.08896	1.6
149.05988	1.2
149.09627	12.4
149.13272	16.8
155.08553	2.1
158.10933	11.1
161.09654	2.1
163.07526	5.2
163.11174	3.8
163.14835	6.3
173.09625	4.6
173.13268	31.0
176.04654	2.9
176.12007	3.0
191.03453	2.0
191.06996	8.2
191.10709	15.7
191.14322	96.9
191.17902	5.1
192.14713	1.3
203.32153	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	190.0864
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
55.05500	0.3
62.25153	0.2
69.03435	0.2
71.58001	0.4
79.05501	0.3
81.07033	0.2
84.11613	0.2
90.53503	0.2
91.05492	0.6
92.05788	0.3
93.07043	0.3
95.35686	0.2
102.04702	0.6
103.05479	1.2
103.68571	0.2
105.07069	0.4
115.05472	0.2
117.03406	0.3
117.07047	0.4
119.04926	0.5
119.08643	0.3
120.08907	0.3
130.06537	100.0
131.04933	0.5
131.06877	1.2
131.08560	0.6
132.05719	0.4
133.10146	0.5
134.06020	0.3
134.10492	0.3
145.10150	0.4
146.05939	0.2
147.04427	3.2
147.06888	0.2
148.03947	0.5
148.08499	0.3
148.12022	0.3
149.02356	0.3
158.06015	0.6
160.05234	0.8
162.05447	0.3
163.07626	0.3
172.12125	0.3
175.03926	1.9
175.07245	0.3
190.06276	5.7
190.08682	3.6
190.13153	0.3
191.06990	0.6
191.14244	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	190.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05508	3.4
56.96569	12.7
57.03440	1.3
60.08167	1.7
61.02923	0.7
61.08503	0.6
69.03455	2.6
70.06597	100.0
70.63610	0.8
70.63967	1.5
71.05002	8.0
71.05724	0.9
71.06120	16.3
71.95255	0.9
73.02915	2.5
81.03418	0.9
82.98224	0.5
83.04980	0.6
84.08154	4.1
85.02905	3.8
85.06551	13.8
85.08482	4.0
85.16045	0.6
86.09710	1.2
87.10065	0.9
88.07623	2.7
88.08765	2.2
93.72002	0.5
97.02909	1.9
98.97593	13.5
99.04523	0.7
100.99094	0.7
102.09216	0.5
104.01312	0.7
109.02905	0.9
110.01287	1.4
110.97569	2.6
112.99189	0.6
113.40775	0.6
116.98631	5.8
117.56674	0.5
119.01807	2.8
121.02872	3.1
127.03949	0.9
128.02325	3.5
128.98601	1.3
130.08699	1.0
131.00137	3.2
131.01819	1.0
131.09004	1.8
133.06650	0.6
134.99695	2.1
137.02869	1.5
140.11829	8.2
140.59203	0.5
143.00290	0.7
144.10214	1.4
146.99646	0.8
149.01205	6.3
153.49968	0.6
158.12903	36.3
158.99689	1.4
161.01343	0.8
163.02823	0.9
167.02272	1.9
170.99704	0.8
172.14471	15.9
177.00725	1.1
185.01414	1.0
185.03043	2.3
185.13686	0.6
190.15460	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	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03947	0.6
55.05513	5.6
57.07061	1.3
59.71777	0.5
63.57007	0.6
65.03943	0.5
67.05507	4.0
69.07066	9.6
71.36651	0.5
71.58843	0.9
79.05491	2.4
81.07061	7.6
83.08630	3.7
91.05488	9.6
93.07034	4.2
95.08610	25.2
97.10140	0.6
101.13941	0.6
105.07032	26.2
107.08596	11.1
109.10158	5.0
115.05460	0.9
116.04941	0.6
117.07010	1.9
119.08584	53.2
120.08920	1.0
121.10151	4.4
131.08565	7.9
133.10135	44.8
134.10927	0.7
135.11682	0.8
143.08577	1.3
145.10129	9.2
146.10960	2.9
147.08049	1.1
147.11696	41.6
156.09386	1.1
159.11694	5.3
160.12521	4.0
161.05963	1.1
161.09641	0.8
161.13277	7.7
171.05603	0.7
171.11720	1.1
174.14038	3.4
187.14745	0.6
189.09145	2.3
189.12827	5.7
189.16394	100.0
190.16750	1.4
204.45573	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	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.05998	0.9
55.05516	8.3
57.07058	2.0
59.06770	0.8
63.10890	0.7
64.42392	0.7
65.35925	0.8
66.91046	0.8
67.05211	0.9
67.05512	8.3
69.03410	1.2
69.07076	10.4
70.40407	1.6
79.05492	5.3
81.07063	16.3
83.08610	3.3
84.62916	0.7
91.05486	14.5
93.07040	9.1
95.08615	41.1
103.05434	0.9
105.07037	40.6
105.87830	0.8
107.08604	13.1
109.10162	6.9
115.05396	1.0
117.07065	3.9
119.08588	71.8
120.09026	1.0
121.10149	7.1
131.08591	7.2
133.10143	50.8
143.08589	1.5
145.10133	7.6
146.10893	3.5
147.08038	1.2
147.11700	39.0
149.02336	1.5
159.11711	4.6
160.12489	3.2
161.09692	1.7
161.13266	11.6
171.05521	1.9
171.07932	1.0
171.11707	1.8
174.14038	3.3
187.14853	0.9
189.09166	2.3
189.12706	4.4
189.16399	100.0
190.16763	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	190.0501
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
53.87040	0.2
54.11077	0.2
56.96568	0.5
68.29904	0.2
69.80809	0.8
69.81218	0.4
77.00095	0.2
85.02928	0.3
89.03911	0.9
116.04980	3.3
118.06568	0.3
121.02869	0.8
130.06546	0.7
134.05988	0.4
144.04509	0.6
144.08136	0.3
146.06038	0.3
148.06706	0.2
162.05510	100.0
163.05850	1.5
172.04063	0.3
190.05002	31.8
191.05309	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	189.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05511	0.7
56.05042	1.3
56.96575	2.2
57.03432	0.9
58.06617	0.3
60.08167	19.0
67.05516	2.8
69.03429	0.4
69.07075	0.3
70.06596	5.4
70.98138	1.0
71.33109	0.4
72.08154	1.5
73.02921	0.7
74.02441	0.4
74.07204	1.0
80.47572	0.3
84.08148	100.0
85.02908	0.7
85.06547	1.3
85.08491	0.8
86.09695	0.7
88.99148	0.7
95.04948	0.3
98.97591	2.9
101.00862	0.4
101.02425	0.3
102.09178	0.3
110.97567	0.5
112.07642	0.6
113.00803	0.3
114.89330	0.3
115.03936	0.3
115.05875	0.4
116.07121	1.6
116.98668	2.3
117.20479	0.3
119.01877	1.0
119.08591	0.3
123.47147	0.3
126.09164	11.3
128.02356	0.7
128.98611	0.8
129.10222	2.4
130.08649	32.1
134.99677	0.8
143.11765	0.4
144.11276	0.4
144.13849	2.4
145.14186	0.8
146.99666	0.8
147.11339	0.5
161.03049	0.4
173.03072	0.3
189.12161	0.7
189.13422	1.1
189.15994	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	189.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05038	1.8
56.96568	11.5
57.03446	0.8
57.04566	0.4
60.08167	21.7
65.35983	0.3
67.05515	3.0
69.03427	0.9
69.07066	0.6
70.06599	14.0
70.43495	1.0
70.98135	1.8
71.05010	0.7
71.06121	0.5
71.95275	0.7
72.08156	1.8
73.02918	0.9
73.08488	0.5
74.02446	0.5
74.07211	1.3
74.97610	0.7
81.03454	0.5
81.07078	0.4
84.08148	100.0
84.96037	0.4
85.02921	1.0
85.06557	1.7
85.08496	1.1
86.09730	0.7
87.04479	0.4
88.99173	1.1
97.02907	1.1
98.06094	0.3
98.97591	25.3
100.99180	0.7
101.00890	0.8
101.02407	0.7
101.07983	0.4
102.09197	0.3
102.96849	0.4
103.00644	0.4
105.07029	0.5
109.02888	0.8
110.97586	1.1
112.07629	2.0
112.99157	0.3
116.07102	2.7
116.98632	14.9
117.59323	0.3
119.00165	0.4
119.01896	1.8
119.08600	0.4
121.01701	1.4
122.27537	0.3
124.97617	0.8
126.09161	1.0
127.00644	0.4
128.98602	1.6
130.01051	0.4
130.08650	39.7
131.00165	0.7
133.01768	0.3
133.03481	0.5
134.99667	7.1
140.11800	0.5
143.00247	0.4
143.01901	0.4
144.10225	0.7
144.11325	0.9
144.13864	2.6
145.01768	0.4
145.03404	0.5
146.99709	1.6
147.03255	1.0
149.01251	0.7
150.99194	0.4
153.00836	0.5
155.04645	0.4
158.01341	0.6
158.09256	0.4
158.12892	1.2
158.99699	1.0
161.02959	0.4
163.02855	0.7
165.00720	1.5
165.04347	0.7
170.99660	0.7
172.10861	0.4
172.14471	0.4
174.99178	0.5
177.00742	1.1
184.02466	0.4
185.02942	0.6
186.92166	0.4
188.97072	0.4
189.00696	1.2
189.04315	1.7
189.05905	0.5
189.13385	1.3
189.15997	16.7
207.01825	0.5
207.05444	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.05507	2.4
56.36245	1.0
64.76681	0.9
65.96242	1.0
67.05494	2.0
69.03439	7.3
69.07075	1.9
70.70798	3.2
79.05505	7.0
81.07058	5.6
83.04986	1.7
91.05481	21.8
93.07037	4.8
95.04951	1.8
101.62362	1.0
102.53365	1.1
103.05459	1.7
103.07072	1.0
105.06380	1.9
105.07037	26.6
107.04938	1.2
107.08572	3.1
109.06578	1.3
115.05424	1.9
116.06222	3.8
117.07011	4.3
119.04925	1.7
119.08585	33.4
121.06500	8.1
121.10126	2.2
128.06223	4.3
129.06996	7.1
131.08575	100.0
133.06520	8.1
133.10149	10.9
135.08049	5.9
141.06976	1.9
142.07813	1.4
143.08578	6.1
145.06479	4.4
145.10161	7.1
147.08076	18.3
147.11699	41.1
156.09360	13.5
159.08058	14.7
159.11681	1.9
160.08835	5.1
161.09576	5.2
161.13261	12.5
171.11694	12.0
174.10419	17.7
189.12752	74.4
190.13104	1.2
206.95340	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05505	3.4
57.03438	1.4
65.03926	0.9
67.05498	3.4
69.03436	7.7
69.07064	4.1
69.47160	5.6
69.66292	0.8
79.05487	2.8
81.07059	4.8
83.04973	2.6
84.08133	1.4
85.02898	3.0
91.05486	9.7
93.07039	3.2
95.04968	2.5
95.08596	1.2
97.06441	0.7
103.05455	1.8
103.43626	0.9
105.07038	23.5
105.39452	0.8
107.04922	1.0
107.08605	5.3
109.06497	2.9
115.05431	1.9
116.06243	1.0
117.07003	3.3
119.04958	2.3
119.08588	40.2
121.06496	3.3
121.10155	2.3
123.58053	0.7
128.06224	3.3
129.07018	3.9
130.07753	1.3
131.08577	12.5
132.05675	1.3
133.06500	5.2
133.10126	16.6
135.08034	5.5
138.83165	0.7
141.06998	3.8
142.07774	1.0
143.08592	7.2
145.06509	3.2
145.10126	5.7
146.07237	1.9
146.10907	1.3
147.08058	19.4
147.11691	17.6
149.09654	1.0
155.08582	1.3
156.09351	17.4
159.08061	18.1
159.11713	1.8
160.08841	6.3
161.05977	1.2
161.09613	9.5
161.13260	21.7
171.07964	1.1
171.11696	17.8
173.09584	1.2
174.10411	38.9
189.09117	3.3
189.12755	100.0
190.08563	0.8
190.13109	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
54.49817	0.7
55.01863	1.2
55.05521	4.6
57.00441	0.5
61.62788	0.7
65.03912	1.3
67.05511	3.8
69.03434	7.5
69.07064	2.3
71.16943	1.4
77.03918	0.8
79.05510	3.4
81.07059	5.2
83.04978	1.6
87.00891	0.6
87.58888	0.6
90.68159	0.6
91.05486	13.6
93.07039	5.1
95.04965	2.6
103.05466	0.9
105.07034	25.0
107.08617	3.6
109.06528	2.0
115.05445	1.5
117.07015	2.8
119.04990	1.3
119.08582	44.2
121.06508	2.7
121.10138	2.3
128.06206	3.4
129.07016	4.0
130.06497	1.7
130.07727	0.7
131.08578	10.6
132.05707	0.7
133.06511	5.5
133.10136	18.9
135.08051	7.0
141.06979	2.8
142.07727	0.9
143.08566	6.8
144.05605	0.7
144.09358	0.8
145.06474	3.7
145.10139	4.7
146.07228	1.8
146.10808	1.2
147.08054	23.3
147.11693	16.6
149.86829	0.6
155.08601	0.7
156.09351	15.0
159.08060	19.0
159.11681	2.3
160.08841	7.0
161.09628	16.7
161.13252	24.9
171.08066	0.7
171.11694	17.3
173.09637	1.2
174.10419	37.1
175.10799	1.3
189.09268	4.8
189.12753	100.0
190.13155	1.9
207.73312	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	189.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64154	0.5
57.98919	0.5
61.01133	3.0
62.99047	0.6
69.03416	0.6
69.07072	0.8
75.02688	0.8
77.00610	23.2
79.02176	3.8
79.05525	0.7
81.07069	1.2
84.96606	0.5
87.04494	0.6
91.02149	0.5
91.05470	1.1
93.03725	1.0
93.07081	0.6
95.01650	100.0
95.08607	1.1
96.99596	0.9
97.02063	0.8
99.02664	5.8
101.04209	3.5
102.03739	0.6
105.07043	2.8
105.70356	0.5
106.90468	0.7
107.08569	0.8
109.03185	1.3
113.02676	5.3
114.92319	0.7
117.03694	4.3
118.03224	14.6
119.01644	3.5
119.08618	3.4
121.03213	5.6
131.08569	0.8
133.06549	0.6
133.10123	2.6
135.08275	0.6
143.08562	0.9
145.06783	3.3
145.10147	1.3
147.04730	31.8
147.08076	0.8
147.11693	1.8
156.09435	0.9
161.13274	0.7
162.05508	1.2
165.05847	4.8
171.05510	0.7
171.11688	0.5
189.09361	6.7
189.11101	0.9
189.12553	2.9
189.16342	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
55.05515	2.0
56.71527	0.5
67.05503	1.4
68.99779	0.9
69.03430	1.7
69.07063	1.5
69.12091	0.5
70.05553	0.5
71.32998	1.2
71.46556	0.5
79.05500	2.3
81.07051	1.4
83.04969	0.6
83.63621	0.6
84.08160	0.9
85.02905	1.4
91.05484	15.9
93.07047	1.6
95.04990	0.6
95.08607	1.0
103.05467	1.4
105.07034	15.5
105.32967	0.5
107.08618	2.7
108.19370	0.6
115.05460	2.2
116.06267	3.9
117.07062	2.7
119.04910	0.9
119.06902	1.0
119.08585	20.4
121.06531	1.3
121.10172	1.1
126.36120	0.5
128.06247	2.4
128.66704	0.6
129.07024	7.6
130.07803	1.2
131.08575	100.0
132.08888	1.4
133.06499	2.4
133.10146	5.5
135.08089	1.3
141.06955	1.1
142.07864	0.6
143.04900	0.6
143.08546	3.4
144.09315	0.6
145.06488	1.7
145.10121	7.6
146.10893	1.2
147.08047	9.3
147.11699	35.0
155.08557	0.8
156.09344	10.1
157.06458	1.7
159.08064	3.2
159.11711	1.9
160.08812	1.7
161.05995	1.2
161.09644	3.8
161.13239	5.1
171.11678	11.2
174.06776	2.7
174.10406	6.7
182.45992	0.6
189.05472	1.4
189.09146	7.7
189.12756	41.3
189.16380	2.4
208.99712	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	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73616	0.5
55.59460	0.5
67.78461	0.6
70.76751	0.9
70.77072	0.7
70.98276	0.4
71.27005	0.6
91.05490	4.8
103.05422	0.7
114.28732	0.5
115.05453	6.2
117.05765	2.1
117.07018	4.1
118.06549	67.4
119.06915	1.0
132.08041	0.5
142.06506	5.4
143.07318	11.6
144.04443	0.7
144.08098	25.1
144.09230	1.2
145.05353	0.6
145.06480	1.3
146.06018	100.0
147.06349	1.1
155.06049	1.6
160.07585	1.3
170.06027	9.5
185.20335	0.6
188.05464	1.1
188.07079	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	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.00222	0.3
61.62151	0.3
68.73747	0.3
69.56309	2.2
74.31860	0.4
84.84018	0.3
85.02900	0.4
90.57361	0.3
91.05486	5.1
100.14350	0.3
103.44170	0.4
112.85146	0.3
115.05471	6.8
115.47987	0.5
117.05758	1.2
117.07034	4.5
118.06553	73.6
119.06877	1.1
128.04977	0.4
132.08044	0.6
132.08952	0.5
142.06540	6.7
143.07320	12.8
144.04469	1.1
144.08095	25.3
145.05295	0.4
145.06476	0.8
145.08392	0.5
145.10146	0.5
146.06021	100.0
146.10474	1.0
147.06349	1.5
155.06120	0.8
160.07582	1.3
160.12030	0.6
170.06042	8.3
188.07082	22.7
188.15161	1.6
188.20067	1.1
189.07396	0.6
189.09140	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	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.01593	0.8
51.02374	0.6
53.03957	1.0
53.38843	0.6
55.01881	1.0
55.05492	0.7
57.03449	4.1
65.03950	1.0
67.05499	1.5
67.23534	0.6
68.99783	3.7
70.12521	2.5
79.05502	1.8
81.03429	0.8
81.07064	0.9
83.04958	0.5
85.02911	25.5
87.00837	8.0
91.05486	21.8
93.07063	1.0
95.08607	1.9
103.05464	2.5
105.03380	3.5
105.07045	10.0
107.04969	7.4
109.02912	1.5
111.00789	1.1
115.05468	2.8
116.06239	1.4
117.07026	1.8
118.04163	6.1
119.04954	10.6
119.08604	4.0
121.06526	9.6
128.06232	12.7
129.07018	34.2
130.07751	1.7
131.04933	7.7
131.08592	4.9
132.05746	1.1
133.02863	13.1
133.03806	1.1
133.06493	3.3
133.10162	3.6
134.93575	0.7
143.08649	1.2
144.05719	3.9
145.06551	3.0
146.03650	1.6
146.07278	17.1
147.04402	1.8
147.08093	4.3
147.11697	1.8
148.05205	100.0
149.05559	0.7
152.44670	0.6
155.06058	2.0
157.05225	1.0
157.06505	19.1
157.07751	1.3
158.07202	1.1
159.04430	1.4
159.08084	2.1
160.08942	0.7
161.06006	30.6
161.09631	41.7
171.02928	1.4
171.08020	0.9
174.06793	11.0
175.03955	0.9
189.05525	2.8
189.09134	43.2
189.12680	3.0
189.16493	3.0
190.06302	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	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.02436	0.3
51.02728	0.2
66.87280	0.3
68.32902	0.3
70.61394	0.8
70.61734	0.3
91.05484	6.0
91.06010	0.5
103.05458	0.7
115.05459	8.6
116.06232	0.6
117.05757	2.4
117.07020	5.8
118.06549	80.8
119.06889	0.4
127.05491	0.2
132.08160	0.7
142.05460	0.5
142.06534	7.7
143.07317	13.7
144.04440	0.8
144.08095	24.9
145.06525	1.1
146.06017	100.0
147.06329	0.8
155.06015	0.8
160.07574	1.2
170.06023	9.8
188.07085	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	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.4
71.48341	0.5
71.48678	0.2
72.08156	0.5
74.06059	0.3
84.04504	0.4
87.04449	0.2
91.05482	5.3
92.05806	0.3
98.91521	0.3
100.07632	0.2
103.05470	0.7
105.06999	0.3
106.07388	0.2
112.38138	0.2
114.09164	0.4
115.05457	6.6
116.06293	0.2
116.76360	0.2
117.05746	1.2
117.07028	4.3
118.06551	70.8
119.06889	0.7
119.08584	0.5
128.04956	0.5
128.06210	0.2
131.08566	0.3
132.04379	0.3
132.08032	0.5
132.08916	0.8
142.06534	6.3
143.07321	11.5
144.04440	0.8
144.08095	23.5
145.06487	0.6
145.08427	0.3
145.10104	0.7
146.06018	100.0
146.10455	1.6
147.06366	1.4
155.06049	1.0
160.07558	1.8
160.12064	0.6
163.72124	0.3
170.06026	8.3
173.05913	0.2
188.07072	20.2
188.10556	0.6
188.15154	1.2
188.20111	2.3
189.07355	0.3
189.12746	0.8
189.16385	0.4
208.64642	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	188.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22943	0.4
55.05510	0.8
55.93512	1.7
56.94316	8.5
57.03437	0.6
67.05512	0.8
70.95872	15.7
71.38937	0.5
71.39254	0.8
72.93797	49.4
73.06556	0.5
74.95348	0.9
78.82281	0.5
79.05498	0.6
81.03438	0.6
81.07056	1.1
82.06616	0.8
83.04913	0.5
83.08564	0.6
84.04503	1.2
88.93272	0.4
88.96915	7.4
89.94048	3.0
90.56525	0.4
90.94835	25.3
91.05491	0.7
92.95244	0.5
95.08633	0.9
97.10117	0.8
100.96891	1.3
102.94831	5.9
104.96371	1.7
105.07052	0.8
106.94329	0.7
106.97927	1.5
107.95097	2.3
108.95880	6.8
111.98471	1.5
113.96416	24.3
116.96376	24.8
118.06539	1.1
118.94288	4.4
118.97863	0.6
119.08562	0.7
120.16227	0.5
120.95850	2.3
122.97407	0.7
125.96121	2.4
128.96455	0.6
130.97871	0.5
131.08626	0.7
131.97449	14.6
132.95848	3.0
133.03503	1.0
134.97417	25.8
136.95355	4.9
142.08661	1.1
144.95847	8.5
145.08897	0.6
145.10101	0.9
146.06001	1.6
146.08162	0.6
146.10429	1.2
146.97398	8.2
148.97701	0.9
150.96858	1.4
152.04295	0.6
154.99059	3.7
155.97444	1.1
157.99017	5.1
160.09671	0.6
162.96901	5.4
164.98477	100.0
165.98732	0.7
167.91748	0.5
167.97455	0.9
169.98975	1.5
173.08337	1.1
179.00027	1.6
188.00076	19.5
188.07143	1.0
188.09181	1.5
188.10741	3.3
188.15196	1.4
189.00349	0.6
204.28943	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	187.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63683	0.3
53.03948	0.4
53.85964	0.5
55.01864	0.6
55.05509	0.6
57.07073	0.9
67.05501	0.9
68.99734	0.4
69.03427	1.2
72.72325	0.5
79.05495	1.2
81.03433	2.3
81.07051	2.3
83.08640	0.5
85.02899	1.2
88.02230	2.2
91.05493	2.7
93.07070	0.5
95.04928	0.6
95.08606	0.7
95.12931	0.4
97.02886	0.4
99.04446	0.9
101.02386	1.6
103.05516	0.5
105.03381	0.6
105.07039	5.9
111.04434	0.5
111.89337	0.4
117.07037	5.3
119.08587	8.1
123.04460	2.0
127.03929	0.7
128.06241	0.9
129.07034	2.3
130.07800	5.8
131.08592	6.1
133.10146	1.5
142.07806	0.5
143.08571	6.6
144.09334	1.7
145.10133	100.0
146.10460	1.4
151.03909	2.4
157.10133	5.5
158.10933	4.8
159.08130	0.8
159.11700	10.5
169.04959	2.6
169.10080	0.6
170.10901	0.7
172.08861	2.4
172.12495	4.2
185.13310	0.6
187.06105	1.0
187.11324	3.7
187.14839	55.8
188.15099	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03942	1.1
55.01876	1.2
55.05506	0.9
57.03436	0.8
57.07084	0.9
59.60502	0.7
67.05524	3.4
69.03441	3.9
69.07057	1.0
70.76762	2.2
70.88666	0.7
71.57396	0.6
79.05504	1.6
81.03425	4.6
81.07054	3.3
83.08617	1.4
83.24052	0.8
85.02885	1.7
88.02221	4.0
91.05479	12.3
93.07039	2.9
95.04981	2.5
95.08614	3.4
97.02901	2.0
99.04459	2.3
101.02392	3.7
103.05441	0.9
105.07030	11.2
107.08566	1.7
109.02859	1.6
111.04435	1.9
115.03953	0.6
115.05435	2.1
116.06253	2.9
117.07024	10.1
119.08589	13.8
121.06597	0.8
123.04401	5.2
127.03926	3.8
128.06219	1.7
129.07001	4.2
130.07805	6.2
131.08577	37.6
133.10141	2.1
141.05475	0.9
143.08559	8.8
144.09341	2.3
145.10129	100.0
146.10451	1.6
151.03912	5.9
157.10149	9.6
158.10919	5.4
159.08105	0.9
159.11699	15.5
169.05006	7.5
172.12471	11.6
185.13354	1.4
187.06090	2.0
187.11226	2.7
187.14832	90.9
188.10767	0.7
188.15222	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	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.82208	0.6
52.11332	0.5
55.05499	1.2
57.07070	1.4
57.86962	0.6
67.05506	1.7
69.03433	2.3
69.07074	0.9
70.22282	1.4
70.22676	1.3
73.60096	0.5
79.05497	1.8
81.03432	2.5
81.07056	2.7
85.02905	1.6
88.02202	2.7
91.05487	6.6
93.07067	1.9
95.08607	2.7
97.02904	1.2
97.88373	0.5
99.04481	0.9
101.02391	1.5
103.05470	0.8
105.07045	9.3
115.05500	0.9
116.06255	0.8
117.07016	9.5
119.08592	29.8
123.04440	3.2
127.03883	1.0
128.06201	1.2
129.07053	3.2
130.07799	5.9
131.08585	15.8
133.10136	1.8
142.07803	0.9
143.08591	10.4
144.09303	2.8
145.10133	100.0
146.10487	1.8
151.03903	2.4
157.10143	8.1
158.10939	9.1
159.08133	0.7
159.11694	13.0
169.05052	2.9
172.12482	8.3
187.06133	1.1
187.07578	1.0
187.11240	2.3
187.14838	79.9
188.15244	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03956	0.9
55.01872	2.3
55.05512	1.7
57.03445	0.7
57.07071	1.7
59.01152	0.5
61.02934	0.7
61.05167	0.6
66.67082	0.5
67.00359	0.5
67.05507	4.4
69.03442	3.3
69.07082	1.7
70.92082	1.0
70.92403	0.8
71.04990	0.8
72.76109	0.6
73.02922	0.6
79.05484	3.2
81.03422	4.7
81.07063	6.4
83.04948	0.9
83.08640	0.8
84.04463	0.6
84.26082	0.6
85.02914	1.6
87.10754	0.5
88.02226	3.6
91.05478	8.6
93.07048	5.1
93.85858	0.6
95.04996	2.1
95.08618	5.3
97.02922	1.3
97.26542	0.8
99.04470	3.0
101.02382	4.5
103.05455	0.8
105.07042	12.9
105.07768	0.8
107.08583	3.9
109.02861	1.4
109.10170	0.9
111.04463	1.5
113.06046	0.9
115.03959	0.7
115.05423	0.8
116.06225	1.2
117.07027	11.2
119.08593	13.0
123.04417	5.9
127.03892	3.8
128.06219	2.4
129.07019	5.1
130.07793	7.3
131.08572	24.3
133.10158	3.7
133.53891	0.6
141.05502	1.6
141.06996	1.6
142.07785	1.7
143.08585	11.2
144.05740	0.9
144.09360	5.9
144.51183	0.6
145.06487	1.6
145.10132	94.9
146.10561	1.3
151.03926	8.5
154.07777	1.5
157.06526	1.3
157.10129	12.4
158.07301	3.0
158.10962	7.7
159.08060	3.6
159.11703	28.3
169.05016	9.7
169.06343	0.8
169.10133	1.7
171.11650	0.7
171.65971	0.6
172.08852	5.4
172.12480	15.8
173.09619	8.0
174.07124	0.5
178.86038	0.6
185.13271	0.6
187.06067	3.2
187.07581	1.5
187.11243	19.8
187.14835	100.0
187.22469	1.2
188.10519	1.0
188.11978	2.5
188.15201	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	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
55.01870	0.7
55.05506	0.5
56.05040	0.3
56.96575	0.2
57.03434	0.3
57.07069	0.4
60.04517	0.4
60.98741	0.2
67.05513	0.8
68.05047	0.4
69.03439	1.3
69.07073	0.5
70.06597	100.0
71.05000	0.6
71.06923	0.8
71.57446	0.3
71.57867	0.3
72.08142	0.4
72.93768	0.2
74.58554	0.2
77.41261	0.2
79.05508	0.2
80.05022	0.3
81.03419	1.6
81.07069	0.8
82.06609	0.2
83.04988	0.4
83.08611	0.3
84.04511	1.2
84.08160	0.3
85.02914	2.8
86.09720	0.5
87.04482	0.2
88.02235	0.3
89.03956	0.5
91.05489	0.3
93.07050	0.3
94.06614	0.3
95.04980	0.7
95.08612	0.5
96.04479	0.2
97.02903	1.0
98.06079	0.6
98.97607	0.3
99.04459	1.0
101.02390	1.4
103.05518	0.2
105.07056	0.4
107.08645	0.2
108.04496	0.2
109.02908	0.6
111.04483	0.2
112.07615	0.6
113.05984	0.3
113.96368	0.2
114.05540	3.1
115.03972	0.2
116.98679	0.3
117.03407	0.9
117.07045	0.5
121.00816	1.2
121.01644	0.3
123.04447	1.2
123.11736	1.5
126.05548	1.8
126.06437	0.5
127.03905	1.2
128.06212	0.3
129.06943	0.3
130.06531	0.4
130.07387	0.4
131.08575	1.0
136.06210	0.2
138.05516	0.5
139.01842	2.0
139.02701	0.2
140.07086	1.3
140.10693	0.4
140.14401	0.8
141.05545	0.4
141.07024	0.3
143.08304	0.3
144.05656	0.3
144.06685	0.3
144.07806	0.4
144.09203	0.5
145.02850	1.1
145.06522	0.4
145.10185	0.6
151.03928	1.9
154.05899	0.4
157.09937	0.2
158.06110	0.4
158.10551	0.5
159.08139	0.5
159.11684	1.3
163.01831	2.7
168.06633	0.2
168.13853	2.8
168.15204	0.2
169.04979	1.7
171.11407	0.2
172.08949	0.3
181.02887	5.8
181.04411	0.4
186.03677	0.2
186.05621	0.7
186.07700	1.8
186.09251	0.6
186.11269	0.9
186.13550	0.7
186.14986	2.0
186.18623	0.5
187.06100	0.4
187.07655	0.6
187.11218	0.8
187.14949	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	185.081
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
53.03938	0.8
55.01881	0.6
59.89256	0.6
65.03934	1.6
67.05499	1.1
68.99796	2.4
69.68885	0.6
70.55804	1.8
72.18178	0.6
75.04483	1.6
79.01855	1.9
79.05486	0.8
82.04203	2.5
83.04984	1.0
93.03368	0.8
94.04224	0.8
95.01333	9.5
95.04979	2.3
97.06530	0.6
98.20794	0.6
99.04439	1.1
107.01340	1.0
108.97165	0.6
110.03672	28.7
111.04469	6.9
112.05252	0.7
121.10158	0.9
123.00800	0.9
123.04428	1.8
124.05234	0.8
125.05999	83.4
127.03938	5.2
129.07002	0.8
138.03098	1.4
139.03908	22.6
139.11076	0.7
140.04677	0.8
142.05885	1.0
153.05475	100.0
154.06264	44.5
155.03465	2.8
155.06897	0.9
156.04181	1.3
170.05754	7.4
170.10994	0.8
185.08099	28.5
185.13127	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	185.081
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
53.80819	0.5
55.01857	2.4
55.05516	2.8
57.03424	0.8
59.62366	0.6
65.03926	1.6
67.05505	3.6
68.99790	1.6
69.03430	0.8
69.07075	7.9
70.91235	1.2
71.04999	3.6
73.02913	1.2
75.04473	1.3
79.01843	1.7
79.05498	3.5
81.07067	2.7
82.04198	2.1
83.04984	2.4
83.08611	0.5
85.02908	2.6
85.06540	1.0
86.09695	1.7
87.04465	2.3
88.59260	0.5
91.05482	1.5
93.03400	0.9
93.07033	5.1
95.01329	7.5
95.04973	2.6
95.08603	2.9
97.06545	3.9
99.04454	2.4
101.02380	2.2
105.07050	1.7
107.01317	0.9
107.08598	7.4
109.02858	1.3
110.03671	30.3
111.04456	11.8
111.08144	0.7
113.06011	6.8
114.05568	0.7
119.01953	0.7
121.10149	4.0
123.04420	2.0
125.06001	77.9
125.09596	3.0
127.03938	4.1
128.06197	1.6
129.07007	3.0
131.08568	1.4
138.03174	1.2
139.03912	21.2
139.11176	4.7
141.05537	0.8
142.06277	0.7
142.07809	2.4
143.08557	2.8
149.09608	2.4
149.13231	0.8
153.05475	100.0
154.06262	39.0
155.03391	3.0
155.07010	1.2
155.08545	0.7
156.04216	1.6
156.09364	1.0
157.06483	0.8
157.10144	3.7
163.01878	0.6
167.09435	0.5
167.10646	3.0
170.05757	5.6
170.10938	1.6
185.04576	0.8
185.08125	25.8
185.09561	1.6
185.13222	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	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26656	0.4
56.96569	6.3
59.35624	0.5
65.92630	0.8
69.03432	0.5
70.22606	1.0
70.22996	1.2
71.95275	0.4
73.02911	0.6
73.88207	0.4
77.06052	0.5
80.94970	3.1
81.84087	0.4
82.99834	2.4
83.23061	0.5
85.02913	1.7
86.03568	0.9
97.02885	0.5
98.97588	3.7
100.02481	0.9
101.00890	27.3
101.95031	2.3
102.00947	0.8
102.02234	0.7
102.96912	0.8
103.38908	0.6
115.00646	0.8
115.02462	1.6
116.98649	1.7
117.03959	0.9
119.01929	100.0
120.02050	2.4
121.97600	3.1
124.02485	2.2
124.93929	1.7
124.99148	0.5
131.01880	0.6
133.01648	3.7
133.03427	0.9
134.99716	0.8
135.05064	0.7
137.02965	25.7
138.03035	0.6
142.01796	1.0
142.03506	19.8
142.94965	1.4
143.00168	1.5
143.01920	2.1
143.03624	0.7
144.04794	0.7
146.25368	0.5
151.02719	1.3
156.03203	2.4
157.03467	1.9
160.04572	5.3
160.96069	1.1
161.01434	1.0
161.02969	12.0
165.96568	2.2
175.04526	0.9
179.02293	1.7
179.03993	10.2
183.97641	1.7
184.03023	0.7
184.04549	3.0
184.07358	0.7
185.03020	0.7
185.04608	0.5
202.03894	1.2
202.05656	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	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05028	1.8
57.65516	0.4
58.06613	1.1
60.08167	21.2
70.06615	0.4
71.07375	11.6
71.10354	0.6
71.10693	0.8
86.09711	100.0
87.10028	0.9
96.05385	0.4
98.98476	17.7
101.95037	5.1
104.10740	5.5
119.96059	3.0
124.07600	0.9
125.00011	81.1
131.66925	0.4
137.97116	3.2
138.09164	0.6
143.01100	0.9
143.08592	0.7
155.98145	0.8
156.08818	0.6
160.98747	0.6
169.10033	0.7
173.91916	0.4
178.99829	0.6
184.07353	92.7
185.07643	1.0
185.13329	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	183.1381
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
51.02377	0.8
52.90606	0.5
53.03746	0.6
53.03953	7.4
54.02699	0.4
55.01838	0.5
55.05516	3.8
55.33124	0.4
57.03424	1.3
57.07082	8.2
58.02958	0.8
59.04986	0.8
63.01496	0.5
65.03936	1.1
66.82280	0.5
67.05508	8.8
69.03430	3.5
69.07073	6.3
71.04983	3.4
71.08615	0.7
71.22677	0.9
77.03927	0.9
79.05491	2.6
81.03421	1.6
81.07063	17.5
82.07402	0.6
83.04985	0.8
83.08620	1.1
85.06551	5.3
91.05487	1.3
93.07037	2.9
95.04982	16.4
95.08613	30.0
97.10172	0.7
98.98472	6.4
99.04436	1.1
101.95045	2.9
105.03397	100.0
105.06986	1.1
106.03735	1.5
107.08599	1.8
109.06518	5.1
109.10168	7.8
110.07321	0.6
110.10506	0.4
111.08096	1.1
111.22563	0.4
113.06017	5.1
113.09663	0.5
119.08591	1.4
119.96081	1.4
121.10161	1.0
123.04445	4.3
123.05264	0.5
123.08080	8.5
123.11671	2.9
125.05996	0.5
127.01579	1.3
127.07545	1.0
127.11178	0.6
134.10519	0.6
137.06003	0.6
137.09634	0.9
137.13263	21.8
137.97122	1.7
140.04663	0.6
141.06982	0.6
142.07802	1.3
143.08601	0.5
147.11691	2.1
152.42705	0.4
153.06996	3.8
154.07779	0.7
155.04730	0.7
155.07285	0.8
155.08530	4.8
155.09535	0.4
155.50862	0.4
165.06984	0.6
165.12772	10.4
166.07730	0.8
167.08553	0.9
168.09364	6.2
181.10161	2.1
183.06473	1.0
183.08046	8.5
183.09402	0.8
183.09885	0.7
183.11726	16.4
183.13829	10.9
183.15738	1.3
183.17343	0.6
184.12155	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	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03926	0.8
55.01863	1.1
55.05513	6.6
57.03429	1.8
57.07077	3.3
58.02966	30.8
65.03928	0.6
67.05509	22.7
69.03381	0.7
69.07072	60.7
69.71568	4.1
70.06575	2.9
74.06079	1.2
79.05497	6.5
81.07060	19.8
83.04958	1.9
83.08627	7.2
84.08145	9.8
86.06062	1.0
91.05483	5.2
93.07051	9.0
95.04957	2.6
95.08619	6.3
96.08143	0.7
97.06551	4.1
98.06076	2.0
98.09693	2.2
98.97550	0.7
100.07616	6.6
104.55370	0.6
105.07047	13.3
107.08603	17.8
109.06508	2.5
109.10162	49.4
112.07603	2.2
114.09169	14.3
119.08588	1.3
121.10145	2.1
123.08070	0.8
123.11722	7.3
124.11231	0.8
126.09164	12.8
126.12779	1.7
128.10695	0.8
133.10138	28.6
135.11708	20.9
136.07614	0.7
137.13251	1.4
138.05510	0.6
138.12785	23.3
140.10704	1.4
140.14359	1.4
147.11703	5.8
151.11195	9.3
153.12749	13.4
154.15929	1.7
156.01752	0.7
164.14357	3.0
165.12756	2.9
167.08592	0.7
182.15419	100.0
183.15785	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	183.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.01876	20.6
56.96564	14.7
57.03442	37.1
58.99871	4.5
61.02926	25.4
62.68821	2.2
68.98316	2.5
69.03428	33.0
70.99846	3.4
71.04990	4.0
73.02922	100.0
74.31211	2.1
75.01924	2.0
77.00930	2.4
81.03427	19.2
82.99865	9.4
85.02906	62.0
87.01943	3.2
87.04465	2.5
88.02689	8.1
93.01886	4.4
94.02688	7.4
95.04970	3.3
96.02415	3.6
97.02895	50.3
98.97595	13.9
99.04447	12.5
100.02647	12.7
101.00887	58.7
101.01567	4.4
101.02393	2.4
102.00980	2.9
102.02419	20.0
102.52515	3.4
103.03205	2.5
103.03966	2.1
106.02658	3.7
108.02416	8.9
109.02939	11.2
110.77419	2.2
110.97556	3.8
111.02924	26.3
113.00875	21.0
114.02406	6.0
115.02441	10.7
115.03201	7.5
115.03926	3.4
116.98611	5.6
117.02928	10.5
119.01926	86.2
120.02148	4.0
121.01649	3.6
121.03200	2.6
123.02907	20.3
124.04749	4.2
126.02576	3.9
126.03435	5.2
127.02410	5.2
127.03928	20.5
128.02452	4.3
128.98634	4.0
129.02919	10.7
129.03876	4.2
129.53075	2.4
130.03685	2.6
131.01920	46.5
131.02826	4.0
132.01981	11.5
132.03453	6.9
133.03497	8.5
135.02934	5.0
136.03726	3.4
137.02995	10.8
137.07927	9.6
138.03430	13.2
139.02403	4.7
141.04001	4.0
142.03525	8.5
143.00189	4.2
143.01909	73.5
144.02046	5.9
144.03477	6.9
145.01738	3.8
145.03423	26.2
145.04297	2.1
146.03621	3.6
147.01396	6.5
147.04010	5.4
149.02939	4.0
150.03101	4.4
153.03970	8.4
155.01909	54.8
155.03720	3.6
156.02025	6.6
156.03284	2.8
157.03455	20.9
158.03563	4.5
159.05022	3.0
160.04698	4.3
161.02968	74.7
162.03159	7.4
167.01900	18.9
169.03416	2.3
171.05067	2.2
173.02974	69.4
173.04521	3.4
174.03130	6.9
174.04472	2.4
175.02852	3.0
175.04539	5.0
179.04100	4.2
181.03462	2.6
185.02963	54.6
186.03102	11.2
187.04570	7.0
189.02515	3.3
191.04012	6.3
197.03000	8.1
199.04619	4.2
203.04034	30.6
204.04333	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	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03949	2.0
58.86948	0.2
65.03946	0.6
67.05505	0.6
70.63525	0.4
70.63852	0.2
77.03947	0.5
79.05507	0.7
80.05029	0.3
81.03430	0.3
81.07060	0.5
85.86422	0.2
91.05492	4.3
93.05794	0.6
93.07053	3.3
94.06579	0.4
95.04988	1.8
98.63534	0.2
105.04536	0.6
108.04486	0.8
108.08125	2.3
118.97414	0.2
122.06042	1.3
123.04413	0.2
126.05517	2.1
136.07590	100.0
137.07916	1.1
140.07074	2.6
164.07085	50.5
165.07445	0.5
182.05342	0.7
182.08170	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02372	0.1
53.03946	1.6
55.01863	0.2
65.03947	0.5
66.04250	0.1
67.01868	0.2
67.05510	0.5
68.17901	0.2
70.02948	0.1
70.63794	0.4
70.95930	0.1
73.57102	0.1
77.03911	0.7
79.05502	0.7
80.05009	0.3
81.03433	0.3
81.07059	0.5
84.05350	0.1
90.07356	0.1
91.05487	4.2
93.05779	0.8
93.07052	2.9
94.06576	0.5
95.04976	2.5
95.93524	0.1
96.05322	0.2
98.20752	0.2
105.04511	0.4
108.04478	0.7
108.08126	2.6
114.26543	0.1
118.06534	0.2
122.06049	1.4
122.06851	0.2
123.04401	0.6
125.02377	0.1
126.05516	1.9
126.06363	0.2
136.07582	100.0
137.07927	1.4
140.04723	0.2
140.07074	2.4
151.03952	0.2
154.08542	0.2
164.07072	49.4
165.07394	0.7
165.23373	0.1
182.08067	0.6
182.12556	0.2
183.06631	0.6
189.23615	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
50.94846	0.9
53.03933	4.2
53.98615	0.9
55.05498	3.8
56.61103	0.9
57.03412	1.1
58.02951	2.5
59.97576	0.9
65.03947	4.5
66.04269	1.1
67.05511	17.5
67.94288	0.9
68.05022	1.3
68.06296	1.0
69.07074	5.9
69.66657	0.8
70.02954	1.6
71.59109	1.2
71.74818	0.9
74.77285	0.8
79.05497	32.0
80.04996	2.3
81.03362	0.9
81.07061	39.5
82.02972	1.0
82.06566	1.7
82.90063	0.8
83.04959	1.5
83.08617	3.0
84.08134	7.4
84.64841	0.8
86.02439	5.1
91.05475	5.8
92.05029	1.3
93.05803	7.8
93.07035	1.7
94.06569	2.7
94.07351	1.4
95.04976	6.6
95.08595	1.3
96.04470	2.1
96.08115	1.8
97.05251	1.0
97.06542	9.6
98.06042	3.8
98.09689	3.1
98.97599	1.5
105.03395	1.6
105.07010	1.0
106.06573	1.8
107.07325	5.1
108.04442	1.5
108.08124	63.6
109.06523	8.0
110.06045	6.7
116.98637	1.1
118.06540	3.0
119.08633	1.4
120.04484	1.2
120.89002	1.1
121.05260	2.9
122.06017	2.2
123.04388	2.0
123.08027	1.2
124.05187	1.6
124.07613	1.8
125.06000	32.6
126.05515	32.0
126.08311	1.4
126.09171	19.0
134.05983	1.8
136.07584	100.0
137.05965	1.1
137.07939	1.6
138.05490	3.4
138.09142	1.5
140.07060	1.6
141.05492	1.4
142.14461	0.9
152.07051	1.3
153.05475	2.0
153.07854	3.6
154.08633	31.1
155.06964	1.2
164.04219	4.1
164.07072	83.5
182.08136	86.8
182.11650	2.5
183.08345	1.8
198.56813	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	181.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.1
53.03945	6.8
55.01874	11.8
55.05512	12.4
56.96555	3.7
57.03439	6.3
57.07061	3.8
65.03948	12.9
67.05506	20.5
68.99797	0.9
69.03439	7.2
69.07072	17.8
69.50287	6.2
71.04989	8.6
71.08651	1.4
75.04485	8.0
77.03917	1.2
78.04711	5.0
79.05497	30.8
81.03416	3.1
81.07060	80.2
82.04206	2.9
83.04977	6.5
83.08636	8.1
85.02897	5.5
85.06547	2.8
89.03928	11.2
91.05486	44.3
91.06078	1.4
93.03411	11.4
93.07049	61.0
94.06635	1.3
94.07365	0.9
95.04974	18.4
95.08612	28.7
97.02909	1.7
97.06536	11.2
97.10163	3.8
98.08064	0.8
98.20682	1.6
98.97584	25.1
99.08103	6.5
103.05483	14.6
105.04505	3.5
105.07034	9.3
106.04180	16.1
107.04960	12.2
107.08601	99.7
108.02094	2.4
108.08170	1.4
108.08907	2.0
109.06530	6.1
109.10140	3.6
110.03648	2.7
111.04442	7.7
111.08084	6.1
116.98630	23.0
117.03392	11.4
117.07001	1.1
119.04956	3.2
119.06040	1.0
119.08551	4.5
121.02876	1.9
121.06513	65.3
121.10146	61.9
121.11440	1.2
122.07320	2.5
122.10532	1.0
123.04435	3.9
123.08077	12.0
123.11714	33.9
124.05213	2.5
125.02330	2.1
125.06007	9.0
125.09632	3.2
131.06094	1.3
134.03645	7.7
134.99664	16.0
135.04427	27.5
135.08066	8.0
135.11700	19.1
136.07587	2.7
137.05986	8.5
137.09647	2.2
138.03152	1.3
138.06761	4.2
139.03914	5.6
139.07535	5.1
139.11127	1.3
140.00201	1.6
140.04707	8.2
141.43234	1.1
142.02698	1.2
145.02858	12.2
145.10126	4.3
148.05171	5.6
149.02382	2.2
149.05991	43.5
150.06346	1.3
151.07523	1.8
152.06207	1.0
152.08360	2.6
153.00708	1.8
153.05489	3.5
153.07198	1.3
153.09100	14.4
158.01228	1.2
163.03915	50.9
163.07576	8.2
163.11200	11.2
163.14828	100.0
164.06982	2.1
164.15170	2.4
166.06238	4.2
166.07652	2.1
167.07024	1.9
171.06561	3.9
181.04977	23.5
181.06584	4.2
181.08609	37.1
181.10129	3.1
181.12128	7.9
181.15869	5.3
182.08020	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	181.1588
Annotation	(Z,Z,Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
51.02355	1.1
53.03945	6.8
55.01874	11.8
55.05512	12.4
56.96555	3.7
57.03439	6.3
57.07061	3.8
65.03948	12.9
67.05506	20.5
68.99797	0.9
69.03439	7.2
69.07072	17.8
69.50287	6.2
71.04989	8.6
71.08651	1.4
75.04485	8.0
77.03917	1.2
78.04711	5.0
79.05497	30.8
81.03416	3.1
81.07060	80.2
82.04206	2.9
83.04977	6.5
83.08636	8.1
85.02897	5.5
85.06547	2.8
89.03928	11.2
91.05486	44.3
91.06078	1.4
93.03411	11.4
93.07049	61.0
94.06635	1.3
94.07365	0.9
95.04974	18.4
95.08612	28.7
97.02909	1.7
97.06536	11.2
97.10163	3.8
98.08064	0.8
98.20682	1.6
98.97584	25.1
99.08103	6.5
103.05483	14.6
105.04505	3.5
105.07034	9.3
106.04180	16.1
107.04960	12.2
107.08601	99.7
108.02094	2.4
108.08170	1.4
108.08907	2.0
109.06530	6.1
109.10140	3.6
110.03648	2.7
111.04442	7.7
111.08084	6.1
116.98630	23.0
117.03392	11.4
117.07001	1.1
119.04956	3.2
119.06040	1.0
119.08551	4.5
121.02876	1.9
121.06513	65.3
121.10146	61.9
121.11440	1.2
122.07320	2.5
122.10532	1.0
123.04435	3.9
123.08077	12.0
123.11714	33.9
124.05213	2.5
125.02330	2.1
125.06007	9.0
125.09632	3.2
131.06094	1.3
134.03645	7.7
134.99664	16.0
135.04427	27.5
135.08066	8.0
135.11700	19.1
136.07587	2.7
137.05986	8.5
137.09647	2.2
138.03152	1.3
138.06761	4.2
139.03914	5.6
139.07535	5.1
139.11127	1.3
140.00201	1.6
140.04707	8.2
141.43234	1.1
142.02698	1.2
145.02858	12.2
145.10126	4.3
148.05171	5.6
149.02382	2.2
149.05991	43.5
150.06346	1.3
151.07523	1.8
152.06207	1.0
152.08360	2.6
153.00708	1.8
153.05489	3.5
153.07198	1.3
153.09100	14.4
158.01228	1.2
163.03915	50.9
163.07576	8.2
163.11200	11.2
163.14828	100.0
164.06982	2.1
164.15170	2.4
166.06238	4.2
166.07652	2.1
167.07024	1.9
171.06561	3.9
181.04977	23.5
181.06584	4.2
181.08609	37.1
181.10129	3.1
181.12128	7.9
181.15869	5.3
182.08020	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.39202	0.8
53.03949	4.2
55.01876	1.9
55.05260	1.6
55.05518	27.7
55.92684	1.1
56.96574	10.1
57.03421	1.0
57.07079	9.7
59.04995	1.4
65.03943	2.2
67.05202	1.3
67.05511	10.8
69.03434	3.1
69.07070	5.2
71.04996	1.8
71.60076	1.7
71.95280	2.8
77.03947	1.0
79.05501	15.2
81.07063	12.8
83.04987	16.4
83.08607	2.3
85.06549	4.2
89.03924	16.6
91.05479	10.7
93.07052	25.0
95.04969	9.4
95.08607	16.3
97.06550	10.5
98.97591	54.8
105.07034	7.8
107.04965	10.2
107.08610	28.5
109.06519	5.8
109.10174	3.8
111.04450	80.8
111.08062	6.1
113.06008	3.8
116.97256	2.7
116.98629	55.3
117.03388	16.9
117.07014	2.8
119.08598	4.2
121.06509	5.8
121.10149	11.8
122.07278	1.1
123.08092	2.7
125.06000	39.5
125.09662	1.4
127.07578	1.9
129.07011	1.1
130.07802	2.3
134.99675	44.8
135.04422	45.0
135.08066	20.2
135.11699	22.4
136.07532	1.3
137.05894	1.0
137.09648	1.5
137.13321	1.0
138.06744	2.7
139.03912	1.5
139.07585	1.5
140.00223	4.4
145.02864	21.5
145.10141	17.7
149.01250	1.1
152.00307	1.0
153.00728	7.2
153.05447	1.1
153.07088	1.1
153.12738	3.8
154.08643	1.1
158.01250	9.0
163.03914	100.0
163.11194	23.6
164.04306	1.5
165.06996	4.9
166.07774	5.3
176.02371	1.4
181.04958	9.9
181.06346	1.7
181.08626	2.1
181.10182	8.6
181.12265	37.5
186.05466	1.2
194.97720	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	181.1225
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03950	1.1
55.01871	1.6
55.05511	1.3
55.57286	0.7
56.77312	1.0
57.04551	1.0
57.06828	1.4
57.07084	21.1
59.04998	2.7
67.05523	1.8
69.07068	4.5
71.37993	1.1
79.05511	7.5
81.03427	6.2
81.07056	5.2
83.04988	49.7
88.72392	0.9
91.05478	4.1
93.07062	8.6
95.04431	1.7
95.04978	16.7
95.08611	1.4
97.05907	1.6
97.06540	26.1
98.06093	1.0
98.97572	1.1
99.05585	6.1
105.07032	6.2
107.04955	2.7
107.08593	13.1
107.11933	0.9
116.98653	1.1
117.07022	1.9
119.08567	4.1
121.06501	2.6
121.10173	13.2
122.07106	1.1
125.06004	63.4
130.07843	1.4
135.04381	1.4
135.08098	1.2
135.11684	5.4
139.06129	0.9
145.10164	11.6
163.11200	100.0
166.98650	1.0
173.39343	0.9
181.04910	1.8
181.08691	1.0
181.10118	1.3
181.10558	1.8
181.12245	29.2
182.12466	1.3
193.09039	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	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.53983	1.0
53.03941	4.6
55.01871	5.9
55.05514	5.6
56.96556	3.3
57.03433	2.1
57.07080	22.7
57.07352	0.8
59.04985	3.6
61.63466	1.0
62.94279	0.9
65.03947	21.1
67.05513	14.8
68.99782	2.1
69.03433	5.8
69.07069	8.5
71.01331	1.0
71.04981	2.9
71.59511	1.7
75.04507	1.3
77.03893	1.7
79.05055	1.5
79.05499	23.7
81.03415	9.7
81.07055	15.0
82.04206	7.9
83.04987	47.3
83.08607	2.4
85.02911	14.1
85.06536	2.7
89.03919	14.0
91.05493	17.9
93.03418	7.1
93.07053	32.8
94.09903	1.0
95.04980	25.6
95.08617	7.5
97.02895	2.2
97.06541	35.4
98.97594	23.2
103.05473	6.0
105.07011	8.8
106.04168	2.6
107.04962	11.1
107.08602	25.6
108.02094	4.5
109.06492	3.6
109.09542	1.0
109.10124	5.6
110.03683	6.8
111.04462	12.7
111.08071	2.0
116.98634	20.1
117.03385	16.3
117.07000	4.1
119.04972	1.6
119.08617	8.3
120.28812	0.9
121.02879	3.1
121.06510	18.4
121.10152	43.7
121.11028	2.5
123.00797	1.6
123.04427	4.2
123.08110	4.9
123.11703	1.1
125.02384	2.1
125.06002	71.3
126.06326	1.6
127.64619	1.0
130.07758	2.7
133.02805	1.8
134.03603	1.5
134.99678	12.3
135.04433	41.1
135.08060	4.8
135.11714	18.5
136.07558	3.5
136.20857	1.0
137.02330	1.7
137.05980	4.7
137.09634	2.7
138.03119	4.4
139.03917	8.2
139.07555	2.5
139.11230	1.4
140.04689	4.7
142.02621	4.6
145.02867	17.9
145.10130	15.7
148.05212	2.3
149.02373	10.0
149.05992	10.2
151.03935	1.3
153.00743	1.4
153.05479	8.1
153.09100	3.1
153.12712	1.8
158.01335	1.2
163.03922	87.5
163.07532	2.4
163.11195	100.0
163.14821	4.2
164.04230	1.4
164.07086	2.5
164.11621	2.6
165.06870	1.1
166.06389	1.1
166.07831	1.8
171.06564	9.7
181.04970	56.2
181.06221	2.2
181.08592	14.0
181.10042	1.9
181.10393	1.9
181.12227	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.00312	0.9
53.03939	2.7
55.01859	1.3
55.05515	12.6
55.73838	0.7
56.96553	1.4
57.03437	1.2
57.07078	6.4
59.04987	0.7
65.03930	1.7
67.05504	11.0
69.03407	1.4
69.07077	4.4
69.49303	5.8
71.04980	2.5
73.95866	0.8
79.05496	8.5
81.07047	7.8
83.04628	0.6
83.04987	6.7
83.08633	0.8
85.02898	0.9
85.06529	2.3
89.03912	3.2
91.05482	11.0
93.03410	1.0
93.07047	30.2
95.04963	4.8
95.08046	1.3
95.08611	17.4
97.06532	15.1
98.97589	11.7
103.05476	1.2
105.07034	5.3
107.04918	2.0
107.07869	1.3
107.08598	26.4
109.06522	4.8
109.10143	3.5
110.07304	0.9
111.04446	23.4
111.05209	1.7
111.08086	9.8
113.06007	1.1
116.98633	8.1
117.03362	3.0
117.06998	2.0
119.08569	3.0
121.06503	4.6
121.10133	6.6
121.32873	0.8
122.07282	1.1
123.08067	2.4
125.05997	69.4
130.07814	1.1
134.99643	3.2
135.04428	5.8
135.08069	9.6
135.11702	25.6
136.11987	1.5
138.06770	9.1
139.07547	2.0
143.08513	0.9
145.02847	3.0
145.10132	11.0
149.05931	0.7
153.12744	6.7
158.01283	0.9
163.03911	14.6
163.11191	17.5
165.06989	0.8
166.07797	1.2
181.04932	2.9
181.12239	100.0
182.12590	2.2
183.88484	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	1.2
55.01877	1.8
55.05508	3.1
56.96564	1.7
57.03428	1.0
57.07077	24.8
59.04998	3.2
60.68148	1.0
64.78416	1.2
67.05506	2.7
69.03448	1.5
69.07059	4.1
70.31443	4.3
77.59714	0.9
79.05489	9.7
81.03420	6.3
81.07053	4.2
83.04984	48.7
90.59663	1.1
91.05477	3.5
93.07051	9.5
95.04966	16.3
95.08614	2.6
97.06536	21.5
98.97602	11.6
99.05581	3.7
105.07043	4.5
107.04979	2.5
107.08602	10.1
111.32569	1.0
116.97243	3.0
116.98640	11.4
117.07046	2.0
119.08582	4.2
121.06531	2.6
121.10149	17.2
122.07143	1.1
125.05999	64.2
130.07788	3.0
134.99673	8.1
135.04407	1.3
135.11717	7.6
145.10127	10.4
153.00659	1.3
153.06992	1.3
158.01259	2.4
163.11191	100.0
164.11551	1.7
165.07016	6.1
166.07779	11.4
169.77904	1.2
172.45387	1.2
181.04997	2.5
181.06479	5.9
181.08588	0.9
181.10168	17.4
181.12257	33.8
182.12616	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	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03936	1.7
55.01868	2.5
55.05502	2.4
57.03420	1.4
57.07079	28.6
58.76006	1.2
59.05006	2.0
67.05504	1.6
69.03426	1.7
69.07063	3.5
70.05789	5.6
79.05494	9.6
80.18376	1.3
81.03422	6.5
81.07043	4.4
83.04493	2.6
83.04988	48.4
84.84160	1.2
91.05489	3.9
93.07044	8.1
95.04974	17.7
95.08622	1.4
97.06547	24.4
98.21494	1.7
98.97601	10.6
103.97779	1.4
105.07033	4.8
107.04964	2.9
107.08602	11.1
109.06570	1.8
116.98658	5.9
119.08582	2.4
121.06538	3.5
121.10165	14.7
125.06004	69.3
130.07802	2.7
134.99644	3.2
135.11723	8.1
136.04323	1.3
141.94501	1.2
145.10136	12.6
163.03876	1.4
163.11194	100.0
164.11577	2.3
164.20866	1.3
165.07068	1.6
166.07794	3.4
181.04970	4.4
181.06447	1.8
181.10107	1.8
181.10594	2.3
181.12248	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03943	0.6
55.01867	0.9
55.05508	2.4
55.90962	0.5
56.96552	1.3
57.07063	1.6
59.05009	3.8
67.05503	3.2
67.48882	0.4
69.03445	1.1
69.07073	3.0
69.47916	2.3
69.48345	1.5
77.74379	0.4
79.05499	8.1
81.07063	7.7
83.04964	1.6
83.08605	1.2
87.04469	0.7
89.03915	4.8
91.05466	3.7
93.03405	0.9
93.07052	17.3
95.04943	0.8
95.08607	13.2
96.76871	0.5
97.06542	2.5
98.21506	0.5
98.97593	12.6
105.07019	3.1
107.04970	3.0
107.08599	34.1
109.06504	1.0
109.10151	2.7
111.04445	3.1
111.08054	1.0
113.05972	0.5
116.98621	9.4
117.03389	5.1
117.07013	0.8
119.08571	4.5
121.06507	4.5
121.10151	18.0
123.08097	3.0
125.05191	0.5
125.05994	3.6
125.81767	0.5
130.07802	0.8
134.99669	4.5
135.04427	11.9
135.08060	0.8
135.11702	40.4
136.12054	0.7
137.09618	0.6
137.13251	1.1
139.03893	1.2
139.07545	6.6
140.00160	0.9
143.08569	0.5
145.02867	6.2
145.03888	0.9
145.10132	10.7
147.40675	0.5
153.12790	2.2
158.01283	0.9
163.03922	26.5
163.11194	27.9
164.04236	0.7
165.07042	0.5
166.07814	0.6
177.62856	0.5
181.04956	1.1
181.12238	100.0
182.12596	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	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01875	2.1
55.05505	2.2
56.96568	2.3
57.03421	1.2
57.07079	20.6
57.20539	1.0
59.04992	2.5
66.92173	1.0
67.05486	1.7
69.03419	2.5
69.07066	4.1
69.62105	1.0
71.05028	1.5
71.33723	1.3
71.34050	1.2
79.05494	10.2
81.03423	6.7
81.07066	6.9
83.04988	51.1
91.05492	4.0
93.07059	6.5
95.04976	16.2
95.08582	1.7
97.06543	25.4
98.97588	10.6
99.05568	3.0
105.07034	6.2
107.04969	2.4
107.08601	12.4
109.06506	1.9
113.92924	1.1
116.97252	2.3
116.98631	13.2
117.07043	2.9
119.08580	3.7
121.06519	4.4
121.10156	12.5
122.07145	1.3
123.04408	1.0
125.06006	65.6
134.99678	12.0
135.08052	1.4
135.11722	6.7
140.00232	1.3
145.10135	9.0
153.00699	1.4
158.01268	2.4
163.03951	1.9
163.11198	100.0
164.11562	2.1
165.06990	1.7
166.07776	3.1
181.06310	1.1
181.08592	1.7
181.10179	5.7
181.12230	31.2
185.84071	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	181.1225
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03956	1.7
55.01865	1.7
55.05508	2.9
57.07082	26.0
59.05001	2.7
67.05526	1.5
69.03442	1.3
69.07074	4.3
69.24849	3.7
69.25272	5.4
73.51338	0.9
79.05501	9.0
81.03427	7.5
81.07060	3.3
83.04990	54.6
86.06190	0.9
91.05487	3.5
93.07050	8.7
95.04980	16.1
95.08596	1.1
97.06546	26.0
98.97594	9.3
99.05618	1.1
105.07028	5.3
107.04950	2.3
107.08603	11.1
109.06493	1.2
116.97329	1.1
116.98663	8.4
117.07040	2.1
119.08570	2.5
121.06510	3.7
121.10164	10.6
122.06159	1.0
125.06007	73.0
129.06993	1.0
130.07814	1.4
134.99693	5.4
135.08080	1.2
135.11699	5.3
140.00229	0.9
145.10156	13.6
163.11200	100.0
164.11528	1.7
165.07066	1.9
166.07817	2.8
179.58713	0.9
181.10133	5.3
181.12271	27.6
182.12598	1.0
191.61240	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	181.086
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
53.00301	0.7
53.03944	4.3
55.01876	9.4
55.05504	1.2
56.96545	0.8
57.03431	1.8
57.07079	0.8
65.03944	5.0
67.05500	4.3
68.99761	0.8
69.03436	1.2
69.07066	1.8
69.81297	0.5
70.52599	1.4
70.52973	1.2
71.04955	0.6
77.03941	1.2
78.10148	0.6
79.05055	0.8
79.05499	9.8
81.03428	1.4
81.07051	4.5
82.04208	1.7
83.04974	2.0
85.02914	2.1
85.06518	1.2
89.03920	5.3
90.30436	0.6
91.05487	18.7
93.03408	3.4
93.07049	21.9
95.04979	9.3
95.08607	2.1
97.02899	4.5
97.06541	2.7
98.20852	0.8
98.97601	10.1
103.05476	34.0
105.04524	2.2
105.07027	4.5
107.04964	13.8
107.08599	6.0
108.02103	1.1
108.08160	0.7
109.06497	0.6
109.10136	1.2
110.03677	5.7
111.04460	7.6
111.08106	0.8
115.05470	0.7
116.98636	6.7
117.03387	6.9
117.07060	0.8
119.04958	2.8
120.05761	1.0
121.06516	57.3
121.10154	6.7
122.06778	0.6
123.04420	0.8
123.08094	1.4
125.02360	28.1
125.06005	3.3
131.04955	5.2
134.99666	3.9
135.04422	16.9
135.08049	9.2
135.11697	3.0
138.03160	4.5
139.03918	5.6
140.04692	100.0
141.05023	0.7
141.06918	0.7
145.02873	8.7
145.10037	1.3
149.05989	33.7
150.06371	0.7
152.06197	0.6
153.05476	40.8
153.06726	1.3
163.03920	36.5
163.07512	3.2
163.11169	6.3
163.14816	1.8
165.06996	2.3
166.06310	1.8
166.07782	1.8
171.06487	1.2
181.05037	9.8
181.06583	2.5
181.08615	19.6
181.10138	3.6
181.12146	3.2
181.15843	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	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03944	0.7
53.83031	0.3
55.01874	0.7
55.05526	0.4
57.03448	0.5
63.02367	0.6
65.03948	4.5
67.05499	0.9
68.99789	0.4
69.47643	3.1
71.04973	0.4
77.03970	0.4
79.05492	5.1
81.07058	1.2
83.04969	0.9
85.02941	0.5
89.03925	18.9
91.05486	5.6
93.03409	6.6
93.07057	1.6
95.04971	2.3
95.08614	0.7
97.06548	0.9
98.21523	0.6
98.97587	6.1
101.77694	0.3
103.05486	0.4
105.04543	0.4
105.07030	0.8
107.04279	0.8
107.04967	9.5
107.08595	1.2
108.02110	0.5
110.96262	0.3
111.04455	19.3
111.08083	0.4
116.98624	5.4
117.03391	19.2
119.04976	1.4
121.06470	1.9
121.10167	3.9
125.05993	1.6
134.99675	2.8
135.04425	51.8
135.11696	1.2
136.04716	1.1
137.06000	0.4
139.03912	20.7
140.04626	0.6
145.02859	23.1
145.10112	0.6
149.05959	0.7
153.05443	0.9
163.03915	100.0
163.11156	2.2
164.04259	1.8
165.07079	0.5
166.07747	0.8
171.06519	0.6
181.04956	3.5
181.06519	1.6
181.08513	1.0
181.10152	1.0
181.12210	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	181.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.34775	0.4
55.01857	0.5
56.96569	0.6
59.19300	0.4
59.98372	0.4
63.02370	0.9
65.03950	2.1
66.90340	0.4
67.05520	0.8
69.03428	0.7
71.03252	0.6
71.03587	0.6
74.13501	0.4
79.05498	4.4
81.03414	0.6
82.04179	0.7
85.02903	0.9
89.03920	19.7
91.05476	1.7
93.03416	1.3
93.07040	1.3
95.04965	1.6
97.06511	0.7
98.97581	3.2
103.05476	0.5
105.04550	0.5
105.07082	0.5
107.04965	6.1
107.06975	0.4
107.08606	0.6
110.03664	0.7
111.04443	1.8
115.01998	0.4
116.98624	1.7
117.03386	21.0
118.03692	0.5
118.56198	0.5
119.04945	0.6
121.06465	0.9
121.10136	1.0
123.08004	0.5
125.04894	0.4
125.05980	0.6
134.99646	0.6
135.04424	41.3
137.05995	0.6
138.03186	0.6
139.03873	1.3
145.02853	26.0
163.03914	100.0
164.04222	1.5
171.06506	0.7
181.05031	5.3
181.08647	1.0
197.56071	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	181.0496
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
53.03942	2.7
54.04721	0.9
55.01873	1.8
56.35907	0.5
57.03428	0.9
65.03946	31.5
67.05172	0.7
67.05511	10.6
68.99790	0.8
69.03426	3.7
69.07070	1.3
71.03182	0.9
71.03514	0.8
77.03901	0.8
79.05482	2.0
81.03440	1.3
82.00535	0.8
82.04202	14.0
85.02422	1.1
85.02913	17.9
89.03915	1.0
89.08006	0.6
91.05470	1.4
92.02647	0.8
93.03412	5.1
93.07060	1.2
95.04999	4.9
97.02879	1.3
97.06525	6.9
98.97578	2.1
101.02442	0.6
105.04486	0.7
108.02108	7.5
110.03664	13.2
111.04463	4.6
116.98593	1.0
117.03397	1.8
121.06479	0.7
121.10161	0.9
123.00790	4.2
123.04428	0.7
125.05997	7.3
134.99644	0.6
135.04398	3.0
137.02336	1.6
138.03116	7.7
141.01698	0.6
142.02617	8.6
145.02831	1.6
153.05481	2.5
155.84392	0.6
163.03938	7.1
163.11049	0.8
170.02122	0.7
171.06529	14.6
181.04968	100.0
182.05286	1.8
198.05629	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	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03940	0.9
59.41083	0.4
65.03943	4.3
67.05498	1.1
69.03429	0.6
69.72105	0.8
69.72507	2.6
72.91721	0.4
75.97357	0.4
77.03895	0.5
79.05500	4.0
81.03384	0.6
81.07035	0.5
82.04207	0.6
85.02908	1.7
88.64494	0.4
89.03922	17.8
91.05474	1.6
93.03398	0.5
95.04975	1.1
97.06512	0.9
98.97583	1.3
107.04954	6.5
107.08587	0.5
107.85686	0.5
108.02111	0.8
110.03644	1.3
111.04427	1.4
116.98615	0.9
117.03384	23.7
121.10107	0.9
123.00816	0.8
125.05961	0.8
135.04424	41.5
138.03160	0.6
139.03896	1.0
142.02589	1.1
145.02855	25.3
145.31407	0.4
163.03911	100.0
164.04245	2.2
171.06488	1.4
181.04982	9.6
186.05443	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	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
63.02363	0.5
65.03935	1.5
69.03338	0.3
70.04865	1.5
77.03956	0.5
79.05497	3.1
89.03926	19.1
91.05489	2.2
93.03413	1.9
93.07059	0.5
95.04985	0.6
98.20830	0.6
107.04958	6.6
107.08598	0.5
111.04450	3.9
117.03389	22.6
118.03665	0.5
121.10169	0.9
135.04425	41.8
136.04781	0.4
139.03920	4.0
139.46652	0.4
145.02858	26.1
163.03917	100.0
164.04280	1.9
181.05006	1.9
181.12300	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	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03956	0.8
55.01874	0.8
55.05521	0.3
56.96568	1.0
59.03966	0.3
63.02393	0.3
65.03946	3.8
67.05507	1.5
68.98428	0.3
68.99809	0.3
69.03430	0.8
69.07077	0.5
69.43021	1.2
69.43451	1.1
79.05496	5.7
80.84602	0.2
81.07062	0.9
82.03770	0.3
82.04213	1.1
83.04983	0.7
85.02916	1.2
89.03923	20.4
91.05489	2.6
93.03430	1.5
93.07057	2.0
95.04978	2.8
95.08633	0.6
97.02898	0.3
97.06559	1.5
98.20793	0.6
98.97594	5.9
103.05481	0.3
103.29816	0.3
105.04510	0.3
105.07034	0.5
107.04282	0.5
107.04967	7.1
107.08601	2.0
108.02121	0.9
109.06525	0.3
110.03680	0.7
111.04456	2.7
116.98628	5.1
117.03388	22.0
117.07061	0.4
118.03744	0.3
119.04948	0.4
121.02814	0.4
121.06522	1.1
121.10155	2.5
123.00785	0.5
123.04411	0.3
123.08047	0.6
125.05997	1.5
134.03543	0.4
134.99702	2.2
135.04430	41.3
135.08061	1.2
135.11710	1.1
136.04771	0.3
136.07573	0.3
138.03125	0.8
139.03893	2.4
141.05644	0.3
142.02634	0.5
145.02859	24.6
145.10130	0.5
146.03226	0.6
149.05984	0.5
153.05428	0.4
154.08638	0.4
158.01312	0.4
163.03917	100.0
163.11171	1.9
164.04248	1.8
165.07024	0.4
166.07834	0.9
171.06537	0.9
175.32359	0.2
181.04985	8.5
181.06439	0.8
181.08586	0.9
181.10190	1.6
181.12238	1.1
186.05495	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	180.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03102	0.2
53.03948	0.5
55.01869	1.0
55.05528	0.2
56.96566	0.4
57.07074	0.3
57.20698	0.2
58.99582	0.7
65.03942	0.8
67.05515	1.3
69.03107	0.2
69.03411	1.1
69.07076	1.1
71.04987	0.5
71.59150	0.4
72.26855	0.2
73.02888	0.2
76.02247	1.1
77.00631	3.9
79.05065	0.2
79.05502	3.2
80.05011	0.6
81.03420	0.3
81.07056	0.6
82.04189	0.3
82.07394	0.3
83.04993	0.7
84.08099	0.2
85.02915	1.3
89.03912	0.6
91.05480	3.2
92.05816	1.2
93.03413	0.3
93.07055	3.4
94.06579	0.4
94.07388	0.2
95.04971	1.4
95.08614	0.6
96.04483	0.6
96.05276	0.2
97.02886	1.2
97.06542	2.6
98.97583	1.8
99.04444	0.2
103.04780	0.5
103.05470	8.5
104.03471	0.5
105.07053	1.0
106.06563	2.2
106.07372	0.8
107.04964	1.0
107.08613	0.7
108.04484	4.2
108.08127	0.3
108.08841	0.3
109.02896	0.4
109.10132	0.3
110.03642	0.3
110.06055	0.5
111.04467	0.5
112.07603	0.8
113.17073	0.2
116.98647	1.7
117.03408	0.5
117.07038	0.4
118.06526	0.2
119.04958	0.5
119.07375	0.3
119.08590	0.6
120.01168	0.4
120.08115	100.0
121.06512	7.0
121.08445	1.6
121.10153	0.6
122.06038	1.0
122.06851	0.8
123.08104	0.5
124.03924	0.2
124.05244	0.3
124.07607	0.5
125.06001	0.6
127.03935	0.4
131.01949	0.3
131.04927	1.1
133.10095	0.3
134.06027	2.3
134.06883	0.5
134.09650	0.4
134.10501	1.0
134.99661	1.4
135.04410	2.0
135.08081	1.5
135.11702	0.8
136.07553	0.9
136.08432	1.3
137.02390	0.3
137.05977	0.9
137.09636	0.6
138.03130	0.3
138.09117	0.5
138.10052	0.3
139.03893	0.4
139.11200	0.4
145.02841	0.5
145.10136	0.3
147.04433	0.3
148.04778	2.2
152.07086	2.0
152.11613	0.3
153.05502	1.0
162.02196	0.3
162.05489	5.0
162.08981	1.6
163.03925	3.4
163.07559	1.2
163.11157	1.3
164.07042	0.2
165.09119	0.2
171.06538	0.3
180.03799	0.7
180.06529	6.2
180.09993	2.8
180.13823	0.6
181.04974	2.7
181.08620	0.6
181.12262	0.9
191.07733	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	179.1068
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
53.03939	2.8
55.01873	10.3
55.05500	3.6
57.03422	2.9
57.07063	1.6
63.02402	1.3
63.20773	1.0
65.03940	3.0
65.47231	0.9
67.05508	15.5
68.99810	1.0
69.03428	9.7
69.07059	6.0
70.06602	2.0
71.01341	1.0
71.05008	4.9
71.58330	1.0
73.02918	1.2
76.02206	2.9
77.00629	2.2
77.03928	1.7
78.04746	1.0
78.87153	1.1
79.05495	15.5
81.03404	4.0
81.07056	15.7
82.00900	0.9
83.04978	4.6
84.08145	1.9
85.02914	1.5
87.04464	1.9
88.57752	0.9
91.05486	46.3
91.70985	1.0
93.07051	19.2
93.82166	0.8
95.04973	19.6
95.08613	12.5
97.02852	1.6
97.06529	7.7
98.97650	0.9
98.98448	1.3
99.04454	3.8
103.05481	11.2
105.03389	2.6
105.07037	62.0
106.06596	1.4
106.07365	1.5
107.04948	6.5
107.08600	24.1
108.04459	4.1
108.05759	1.1
109.02869	2.3
109.06533	11.9
109.10162	16.5
111.04453	1.3
111.08057	2.7
115.05434	6.8
116.06233	1.5
117.07033	7.1
118.07793	1.8
119.01898	1.2
119.04966	19.8
119.08587	31.8
120.08112	67.9
121.06506	65.5
121.10131	5.3
123.04433	11.7
123.08068	8.9
123.11698	4.5
124.05255	1.0
128.06227	4.9
131.01854	1.0
131.04906	3.5
131.08594	7.9
133.02869	7.0
133.06514	13.8
133.10136	59.1
134.05986	2.3
135.04451	1.7
135.08060	100.0
136.05194	2.4
136.08388	1.7
137.06041	7.0
137.09619	16.6
138.06754	3.5
143.08566	10.8
145.06438	1.8
146.07280	7.2
147.04427	28.9
147.61230	1.3
149.06052	1.2
149.09630	18.8
151.03896	8.9
151.07541	9.3
151.11176	9.1
151.94160	1.9
152.07072	1.7
161.06009	9.5
161.08267	2.2
161.09627	36.8
161.13223	2.4
163.07500	1.2
164.04057	1.2
164.08348	1.8
179.03407	25.6
179.06895	13.8
179.09116	2.1
179.10660	64.7
179.14243	3.5
180.06541	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.29785	1.0
51.87017	1.1
53.03946	3.1
55.01883	6.6
55.05520	7.7
56.96560	1.6
57.03445	8.9
57.07079	2.8
65.03944	2.7
67.05508	39.8
69.03428	3.2
69.07076	9.6
70.31982	2.6
70.32375	2.2
71.04996	3.0
79.05501	27.8
81.03402	1.2
81.07066	87.5
82.07346	1.2
83.04977	7.1
83.08611	3.6
85.06526	6.5
91.05489	38.8
93.06471	1.7
93.07056	37.5
95.04972	6.5
95.08614	71.6
96.08981	1.5
97.06536	16.4
98.60772	1.1
99.08100	9.7
103.05476	1.3
105.07047	42.0
105.07765	2.1
107.04956	2.3
107.08607	18.9
108.04485	1.8
109.06516	8.3
109.10183	6.9
111.08097	6.6
113.09642	1.5
117.07021	3.9
119.04106	1.3
119.04944	6.9
119.08591	59.5
121.06534	1.9
121.10147	18.8
123.04448	8.4
123.08069	12.6
123.11698	3.7
131.08577	2.3
133.02834	4.9
133.06494	3.8
133.10141	40.4
134.05991	1.4
135.04445	2.6
135.11711	27.5
137.05988	2.4
137.09601	5.7
137.13249	1.7
147.04433	9.2
147.06348	1.1
148.91980	1.1
151.03899	3.5
151.07535	2.1
151.11160	3.0
151.14716	1.3
161.06010	5.5
161.09612	4.5
161.13274	88.8
162.13579	1.7
164.03995	2.2
178.07709	1.3
179.03418	22.9
179.06642	6.9
179.08646	3.8
179.10701	7.7
179.14325	100.0
180.14632	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03934	4.1
55.01877	14.6
55.05300	1.5
55.05512	15.5
57.03453	8.7
57.07067	8.5
59.04987	1.8
62.86626	1.5
65.03937	4.9
67.05507	29.6
69.03431	9.0
69.07071	20.5
70.78340	3.8
71.04987	3.2
71.08620	4.6
72.57246	1.4
76.02224	3.1
79.05488	18.6
81.03418	2.7
81.07056	30.7
83.04542	2.4
83.04984	29.9
83.08609	6.8
84.08121	1.6
85.06531	7.3
89.03883	2.9
91.05482	57.9
93.07049	23.3
95.04974	27.5
95.08611	80.4
97.06536	2.1
97.10138	2.4
103.05460	4.2
105.03392	28.9
105.04516	3.8
105.07027	47.6
107.04911	3.8
107.08598	26.0
108.04445	3.0
108.05702	1.5
109.06512	26.9
109.10156	41.1
111.08092	2.1
115.05449	3.1
117.07028	3.9
118.04150	4.6
119.04102	3.8
119.04948	54.9
119.08585	28.8
120.08109	1.8
121.06525	10.0
121.10136	24.4
123.04429	17.0
123.08063	38.0
123.11692	7.0
131.08557	2.7
133.01932	1.4
133.02805	7.9
133.06502	22.1
133.10133	33.5
135.04391	3.8
135.08018	6.7
135.11700	14.6
136.05180	4.3
136.08830	1.9
137.05988	13.0
137.09618	30.5
137.13295	8.1
138.06665	2.3
143.08562	1.9
146.03578	4.5
147.04420	100.0
148.04758	1.8
151.03912	6.6
151.07576	7.9
151.11179	4.3
151.14819	26.1
161.02299	1.7
161.05984	23.0
161.09630	13.6
161.13280	20.4
164.04742	2.7
165.01892	1.5
179.01784	3.3
179.03410	27.5
179.07117	43.3
179.08820	2.8
179.10637	29.7
179.14299	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.23938	1.0
50.92291	1.1
51.02370	1.4
53.03936	3.4
55.01860	1.6
55.05512	14.2
55.05758	2.1
57.07047	1.8
63.37974	0.9
65.03938	2.2
67.05507	41.8
68.84174	1.0
69.06728	1.1
69.07069	14.8
69.46907	7.3
69.47324	2.0
78.04748	1.2
79.05495	65.1
81.07064	40.1
83.04996	2.1
83.08621	7.9
88.02181	1.2
89.03922	14.2
91.05491	23.3
93.07049	85.4
95.04989	5.6
95.08613	48.4
97.06512	2.5
97.10160	1.3
98.20678	2.0
98.98471	28.3
103.05470	2.3
105.04534	2.2
105.07043	9.4
106.04186	1.8
107.04941	2.4
107.08599	51.0
109.06544	1.8
109.09457	1.6
109.10159	20.2
115.05459	2.6
117.03385	23.8
117.07004	7.2
118.37820	1.1
119.08586	4.2
121.02887	1.5
121.06522	6.6
121.10149	100.0
122.10526	1.3
129.07018	1.5
131.04930	3.9
131.06906	1.4
131.08577	9.8
133.10150	8.5
134.03635	3.4
135.04407	3.3
135.08035	3.3
135.11699	33.7
145.02856	27.7
146.07298	11.5
147.07928	1.0
149.02362	6.1
149.05998	10.6
149.09633	1.9
149.13237	6.0
159.08107	1.8
159.11679	9.2
162.03137	2.7
162.06734	3.3
163.03955	1.4
163.06290	1.4
177.05495	14.0
177.09111	17.8
177.12773	27.2
177.16388	53.9
178.08632	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	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02388	0.3
53.03949	0.6
55.01860	0.6
56.66964	0.3
57.03444	0.4
58.21177	0.3
59.05506	0.2
64.87610	0.3
65.03964	0.4
67.05505	0.7
70.65070	0.8
73.78509	0.3
77.03935	1.3
79.05500	1.0
81.03426	0.6
81.07066	0.4
89.03925	1.9
91.05486	1.3
95.04976	2.1
105.03398	5.4
105.04518	0.4
105.07041	1.0
107.04950	0.4
107.08592	0.3
109.02888	0.6
109.06531	0.7
117.03393	1.1
119.04932	0.8
119.08584	0.5
121.06516	0.3
123.04436	40.6
124.04791	0.3
133.02863	29.8
133.10120	0.9
134.03192	0.4
135.04425	4.3
147.04437	1.1
151.03911	8.8
161.02345	0.5
161.05945	0.6
161.09634	0.6
179.03404	100.0
179.10674	1.0
180.03773	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	179.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54508	0.2
51.02400	0.8
53.03950	1.6
55.01881	1.2
55.05513	0.4
57.03439	3.7
65.03945	0.6
67.05516	1.1
69.31183	2.5
73.11829	0.3
73.50585	0.2
77.03914	2.2
77.04268	0.2
78.13404	0.2
79.00993	0.3
79.05497	4.8
81.03428	0.5
81.07063	0.8
85.02925	0.2
89.03918	4.5
91.05489	6.5
93.07069	0.6
95.04972	3.4
95.08620	0.5
98.21453	0.5
103.05463	0.5
105.03398	26.9
105.04532	0.7
105.07027	2.2
107.04987	1.3
107.08595	0.5
109.06544	0.6
115.05483	0.5
117.03387	2.8
117.07028	0.4
118.04200	0.4
119.04950	6.6
119.08560	1.7
121.06548	0.3
123.04435	23.2
123.08083	0.4
123.11711	0.3
126.06947	0.3
133.02859	35.1
133.06477	2.2
133.10153	1.3
134.03163	0.5
134.06003	0.3
135.04422	7.9
137.06004	0.5
137.09644	0.6
137.35622	0.3
138.06734	0.3
139.01788	0.3
146.03612	0.3
147.04419	12.8
151.03944	3.0
151.07564	0.5
151.69954	0.3
161.02354	2.0
161.05977	2.1
161.09630	1.1
161.13232	0.4
164.04668	0.4
167.72723	0.3
179.03403	100.0
179.10651	1.1
180.03741	1.6
180.06451	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	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03944	2.9
54.21803	1.9
55.05518	14.8
56.70647	1.8
57.07079	3.2
60.37911	2.2
67.05511	12.3
67.58517	1.8
69.07076	33.8
69.93629	1.7
70.00465	8.9
74.77232	1.6
79.05504	23.5
81.07069	30.4
83.08628	20.3
89.03916	10.9
91.05485	11.5
93.07050	51.7
95.04964	2.3
95.08617	72.7
97.10171	6.4
98.98470	4.5
105.07036	7.0
106.04174	2.3
107.08607	77.0
109.10165	20.3
117.03401	19.4
119.08566	3.8
121.06548	3.6
121.10156	100.0
131.08540	3.1
135.11720	22.8
145.02858	26.1
146.07292	4.8
149.05986	6.5
149.13283	8.1
167.19974	2.1
177.05481	6.1
177.09154	7.2
177.16414	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42704	1.0
53.03932	2.3
55.05511	17.3
55.49911	1.1
57.07078	2.9
63.02379	1.9
65.03964	1.3
67.05508	15.5
69.07073	30.2
69.49280	9.8
78.04696	3.6
79.05495	24.0
81.06569	2.1
81.07059	34.2
83.08621	16.7
89.03921	56.8
91.05486	17.5
93.07052	51.9
94.85709	1.2
95.04976	2.7
95.08615	62.4
97.10181	7.0
98.98461	7.9
103.05491	4.4
105.07036	9.3
106.04169	4.3
107.08598	72.3
109.06519	1.7
109.10162	24.4
115.05430	1.5
117.03390	86.1
117.07054	3.6
119.04975	1.7
119.08603	3.5
121.06503	5.2
121.10152	98.1
123.08128	1.5
130.44037	1.0
131.04947	3.9
131.08565	4.4
133.06482	1.5
134.03636	13.2
135.04431	6.1
135.08084	1.6
135.11708	28.3
145.02856	100.0
146.03171	1.8
146.07288	11.7
147.07996	1.8
149.02357	2.4
149.05983	33.7
149.09557	2.2
149.13284	10.0
158.06006	1.3
159.08107	1.8
159.11667	2.6
162.03133	2.7
162.06755	1.3
163.03926	1.9
177.05493	31.3
177.09097	17.1
177.12834	5.0
177.16411	79.5
186.05516	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	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03935	2.9
55.05516	16.8
55.61348	1.5
57.07080	2.6
65.03944	1.4
67.05514	11.8
68.13194	1.4
69.06722	2.3
69.07077	38.1
76.86581	1.5
79.05499	31.1
81.07065	100.0
82.07410	1.7
83.08627	12.7
88.02176	2.3
89.03912	10.5
91.05485	25.3
93.07054	54.3
95.04984	2.5
95.08614	62.0
96.08882	1.5
97.10176	7.3
98.98471	17.7
103.05435	2.9
105.04456	1.4
105.07026	17.4
106.04182	1.6
107.04958	2.2
107.08604	91.9
109.06525	3.5
109.10162	18.9
115.05430	2.2
117.03374	16.8
117.07029	5.3
118.41614	1.4
119.07776	2.6
119.08590	33.8
120.08936	1.8
121.06487	5.1
121.10154	97.1
122.07257	2.9
122.10527	1.7
123.08046	1.8
131.04979	3.4
131.08594	4.3
133.06464	1.8
133.10132	11.2
134.03648	2.6
134.10934	2.9
135.04425	2.8
135.08067	7.6
135.11716	18.7
136.08766	2.0
137.09624	30.3
145.02866	18.4
146.07275	8.5
147.09158	2.2
149.02354	2.8
149.05997	7.2
149.09631	4.0
149.13275	16.6
153.93648	3.3
158.44392	1.4
159.07968	1.8
159.11714	4.4
161.09636	9.3
162.05096	2.0
163.03850	2.7
163.06250	1.4
177.05502	11.8
177.07629	2.8
177.09085	9.8
177.11394	1.9
177.12779	46.4
177.16400	77.4
178.08633	3.6
178.13220	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03919	2.7
55.05519	16.1
57.07074	2.7
65.88812	1.1
67.05514	10.4
67.43282	1.1
67.69671	1.2
69.06724	1.8
69.07076	29.2
70.17569	5.2
71.08613	1.4
74.02824	1.3
79.05061	1.8
79.05502	28.3
81.07064	62.0
83.08624	14.4
89.03908	2.6
91.05490	9.5
93.07053	53.8
95.08617	61.4
95.14484	1.2
97.10179	7.1
98.21230	3.0
98.98432	3.0
105.07034	8.2
107.08605	86.1
109.06498	1.6
109.10168	17.6
117.03385	2.5
119.08575	2.8
119.82715	1.5
121.10156	100.0
122.10487	2.2
122.86771	1.3
133.10146	1.7
135.11708	15.4
145.02811	3.0
149.13284	5.4
163.06302	1.8
177.16403	72.2
178.08646	2.2
178.16808	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	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05511	8.9
57.07067	1.1
63.02351	1.2
65.03947	1.3
67.05521	5.6
69.03391	1.0
69.07072	24.3
69.52517	5.8
69.52921	2.1
78.04700	3.9
79.05495	15.0
81.07063	13.0
83.08623	13.1
89.03921	42.3
91.05487	23.4
93.07051	28.5
93.07625	1.8
95.04968	4.0
95.08614	30.3
97.10166	3.2
98.21464	2.0
98.98462	4.3
103.05482	6.6
103.60943	1.0
105.03374	1.5
105.07034	9.3
106.04175	11.8
107.04961	2.6
107.08599	67.5
109.06538	2.5
109.10164	11.8
115.05474	7.5
116.06232	1.8
117.03388	70.2
117.07033	17.9
119.04944	2.5
119.08600	3.5
121.06523	18.8
121.10152	100.0
123.08023	1.4
131.04933	10.7
131.06915	1.3
131.08562	6.2
133.06491	4.3
133.10124	2.1
134.03648	8.6
134.07260	2.9
135.04395	4.2
135.08046	2.9
135.11693	17.5
145.02852	88.4
145.06451	5.1
145.66339	1.0
146.03252	1.0
146.07277	43.8
147.04387	2.3
147.08107	5.2
149.02417	1.1
149.05992	25.9
149.09621	4.1
149.13229	6.9
159.08055	2.9
159.11682	1.3
162.03099	3.1
162.06773	7.5
163.03923	2.3
177.05507	27.2
177.09114	53.2
177.12784	4.3
177.16405	46.3
177.17976	1.0
186.05540	2.9
199.45987	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
53.03936	2.7
53.70162	1.1
55.01881	1.1
55.05515	11.1
56.04697	1.0
57.07073	1.2
65.03923	1.3
67.05504	7.4
69.03424	1.2
69.07074	24.8
73.08268	1.3
77.03957	1.2
78.04710	4.2
79.05499	16.0
81.07060	12.4
83.08620	14.7
89.03921	53.4
89.04478	2.6
90.04282	1.1
91.05489	22.3
93.07047	33.1
95.04955	2.4
95.08608	39.1
97.10181	2.5
98.98472	4.7
103.05503	5.2
105.04536	1.2
105.07050	10.9
106.04180	10.0
107.04945	1.4
107.08600	67.1
109.06513	1.8
109.10153	14.9
115.05474	5.1
117.03385	80.0
117.07029	18.1
118.03725	1.7
119.04956	2.0
119.08566	5.1
121.06523	14.9
121.10148	98.4
123.08109	1.4
123.11680	1.2
124.05223	1.2
131.04935	9.6
131.08569	10.0
133.06488	3.2
133.10167	1.9
134.03648	10.8
135.04427	7.3
135.08061	3.9
135.11696	18.2
145.02852	100.0
145.06454	5.4
146.03198	1.9
146.07277	35.2
147.08003	3.0
149.05981	28.0
149.09608	5.1
149.13266	5.1
158.05898	1.1
159.08133	2.0
159.11708	3.8
161.06035	1.6
162.03110	2.4
162.06740	6.3
163.03957	2.4
177.05498	30.7
177.09116	40.6
177.12791	4.6
177.16406	50.4
178.16713	1.2
186.05544	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03951	2.9
55.01872	2.0
55.05519	11.2
57.07074	1.8
63.02363	1.6
65.03949	1.5
67.05514	7.0
69.07071	33.9
71.32999	1.7
71.33323	1.3
71.59480	1.2
78.04713	4.5
79.05503	22.0
81.07063	17.8
83.08620	15.2
89.03922	41.8
89.04475	2.3
91.05491	17.9
93.07053	40.0
95.04942	3.1
95.08613	44.2
97.10188	2.4
98.98472	20.7
103.05501	2.8
105.07034	12.0
106.04176	3.9
107.04938	1.7
107.08599	97.5
109.06518	3.0
109.10149	14.4
115.05424	1.7
117.03385	60.3
117.07027	3.3
118.03744	1.8
119.08588	4.7
120.83878	1.3
121.06534	7.4
121.10150	100.0
123.08093	1.1
131.04918	3.8
131.08553	3.4
133.06500	1.8
133.10127	2.4
134.03658	11.2
135.04443	6.2
135.08116	2.1
135.11694	23.4
145.02853	83.2
145.06564	1.8
146.07254	12.5
147.04398	1.9
147.07941	1.4
149.02357	3.4
149.05989	23.8
149.09630	2.4
149.13223	7.0
153.93703	1.4
158.06038	2.2
159.08006	1.8
159.11716	2.2
162.03154	4.0
162.06749	3.0
163.03915	4.0
163.06303	2.5
166.14807	1.1
177.05481	31.6
177.09050	17.0
177.12825	11.3
177.16400	57.7
178.08626	5.7
185.35541	1.3
186.05577	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	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.07164	0.9
53.03933	4.4
55.01869	2.0
55.05513	12.1
55.46860	1.1
57.03423	2.0
57.07069	2.6
63.02367	1.9
65.03926	2.3
67.05233	1.0
67.05508	11.6
69.03418	3.3
69.07069	19.9
71.04982	3.4
71.22471	2.0
78.04707	3.3
79.05494	31.1
81.03402	1.4
81.07059	23.8
83.04968	3.0
83.08607	6.0
89.03918	48.3
91.04894	1.4
91.05482	33.9
93.07047	54.7
95.04957	7.4
95.08610	21.7
97.06541	2.0
98.98473	20.7
103.05434	5.2
103.74353	0.9
105.03392	1.2
105.04528	1.7
105.07034	20.5
106.04190	5.1
107.04975	6.5
107.08596	47.5
109.06509	8.0
109.10152	4.2
115.05423	5.0
116.06236	1.7
117.03382	81.7
117.07022	21.7
118.03664	1.4
119.04920	1.8
119.08594	12.1
121.06502	19.0
121.09319	1.9
121.10152	34.2
123.08038	2.1
124.05174	1.3
129.07011	6.5
130.07794	2.7
131.04932	6.7
131.06992	1.2
131.08568	21.2
133.06482	3.2
133.10141	8.4
134.03641	11.4
135.04436	6.8
135.08086	8.9
135.10783	1.6
135.11690	11.8
144.09340	5.0
145.02850	100.0
145.06508	2.1
146.03191	2.2
146.07271	18.0
147.08011	2.5
147.11734	1.2
149.02325	3.2
149.05984	29.8
149.09616	6.4
149.13266	9.7
158.06079	1.6
159.08102	2.4
159.11705	18.3
162.03055	2.5
162.05579	1.0
162.06721	5.2
163.03926	3.4
163.06276	2.7
177.05475	37.9
177.07625	1.9
177.09105	29.9
177.12750	32.5
177.16362	17.8
178.08672	3.6
186.05519	4.1
198.93184	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	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02360	1.3
53.03936	2.5
55.01867	5.8
55.05509	8.2
57.03434	2.0
63.02334	1.3
65.03931	2.2
67.05170	1.8
67.05508	25.5
69.03429	1.8
69.07076	10.9
78.04708	2.1
79.05062	2.3
79.05495	34.1
81.03434	5.4
81.06573	2.0
81.07062	37.5
83.04990	5.3
83.08627	6.6
88.02204	1.4
89.03918	29.2
90.71767	1.1
91.04904	1.1
91.05485	44.8
93.07047	57.6
95.04976	12.8
95.08607	19.6
97.06525	11.6
98.98471	10.5
103.05465	3.8
105.06391	2.0
105.07043	29.7
106.02302	1.0
106.04152	1.8
107.04964	5.2
107.08599	35.8
109.06525	5.5
109.10134	3.4
111.08070	2.8
115.05470	2.7
116.06247	1.2
117.03387	45.8
117.07022	26.1
119.04880	1.1
119.08594	9.2
121.02823	1.0
121.06509	11.8
121.10147	29.8
129.06993	1.3
131.04921	5.0
131.06937	1.7
131.08571	33.4
133.06421	1.2
133.10132	33.4
134.03661	5.8
134.07228	1.3
135.04420	4.4
135.08081	11.3
135.11694	15.3
144.09314	2.2
145.02853	60.3
145.06534	1.5
146.07295	10.1
147.08115	1.2
147.11665	1.7
149.02357	2.9
149.05983	17.4
149.09633	9.0
149.13268	18.1
149.80597	1.1
159.07973	1.3
159.11702	42.6
159.32489	1.2
160.12007	2.1
162.03166	1.9
162.06816	1.8
163.03938	1.5
170.27881	1.4
177.05505	20.0
177.09166	16.9
177.12756	100.0
177.16325	13.8
178.08607	2.0
178.13132	2.4
178.63219	1.0
180.49509	1.4
186.05525	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	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03963	1.1
65.84151	0.7
70.93354	2.0
71.40955	0.8
73.56564	0.6
79.05505	1.5
89.03927	3.1
91.05483	13.8
91.06002	1.1
93.07062	1.6
102.04707	1.2
103.05468	6.3
104.06270	1.4
105.07005	0.9
107.04948	1.3
107.08608	1.7
109.06522	2.0
115.05457	8.6
116.06239	2.5
117.03395	5.5
117.07027	20.9
119.04954	3.3
119.08566	0.8
121.06516	32.7
121.10125	1.2
123.04449	0.6
130.04150	1.2
131.04008	1.5
131.04935	19.3
132.05693	1.4
133.06497	4.2
134.03671	1.5
134.07269	3.4
135.08115	0.7
137.06010	1.0
144.05704	1.3
145.02838	6.7
145.06511	6.8
145.07539	1.2
146.07274	92.6
147.04414	4.1
147.08086	9.1
148.05148	0.7
149.05916	3.2
149.09602	4.1
161.05968	2.4
162.05467	0.9
162.06779	14.9
165.09282	0.9
177.05544	2.3
177.09117	100.0
178.09407	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	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03939	1.6
55.01862	0.9
55.05507	9.6
57.07064	2.3
63.02360	1.1
66.40132	0.7
67.05507	7.3
69.07069	24.1
69.65292	1.8
69.65710	3.3
73.06017	0.7
75.75182	0.7
77.03931	1.5
78.04706	3.4
79.05062	1.3
79.05495	15.0
81.07056	13.8
83.08620	12.4
89.03919	41.1
91.05482	32.5
93.07047	33.4
95.04979	4.1
95.08609	37.0
96.61781	0.8
97.10168	3.0
98.98474	6.6
102.04681	2.1
103.05468	11.2
105.03408	1.2
105.07035	11.9
106.04163	4.9
107.04934	2.3
107.08600	59.9
109.06519	3.4
109.10153	10.6
114.75334	0.7
115.05467	12.4
116.06232	3.9
117.03384	59.4
117.06213	1.4
117.07023	25.6
118.03743	0.9
119.04971	5.0
119.08576	5.1
121.06512	36.3
121.10146	93.1
122.06776	0.7
123.08055	1.6
130.04129	0.9
131.04933	24.0
131.06931	3.5
131.08559	8.6
132.05702	2.6
133.06494	5.9
133.10104	2.5
134.03656	8.5
134.07260	3.3
135.04420	6.6
135.08029	2.8
135.10823	1.1
135.11705	14.2
137.05995	1.9
144.05640	0.8
144.09315	1.1
145.02850	72.0
145.06511	10.1
145.07599	1.5
146.03261	1.8
146.07269	93.8
147.04384	3.2
147.08109	9.6
148.05109	1.0
149.02336	2.2
149.05989	21.9
149.09630	4.8
149.13226	5.4
159.08063	2.8
159.11673	2.5
161.05994	2.2
162.03079	2.1
162.05449	1.4
162.06766	14.9
163.03903	2.4
177.05539	20.0
177.09113	100.0
177.12617	6.2
177.16393	52.2
177.18010	1.3
178.09554	1.5
186.05460	1.2
199.20901	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	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02403	0.9
53.03959	1.7
55.01891	0.8
55.05527	2.8
60.38552	0.7
63.02378	1.1
67.05508	1.7
68.99837	1.1
69.07081	3.8
70.74718	0.9
70.75056	1.4
77.03950	0.7
78.04733	2.9
78.69158	0.7
79.05492	5.3
81.03421	0.8
81.07053	3.9
83.08627	2.2
89.03926	30.3
89.04483	1.5
90.04291	0.9
91.05486	24.8
93.07052	14.9
93.07621	0.9
93.86983	0.7
95.04983	3.1
95.08606	6.6
96.21371	0.6
97.10178	0.7
98.98467	6.1
102.04720	1.3
103.05482	9.5
104.06297	1.4
105.03403	1.4
105.04539	1.0
105.07023	5.6
106.04157	3.8
107.04974	2.6
107.08601	15.3
109.02866	2.5
109.06539	3.5
109.10173	2.9
115.05472	12.4
116.06251	3.7
117.03391	50.6
117.07029	24.3
118.03756	1.4
119.04963	4.1
119.06065	0.8
119.08608	3.0
121.02818	0.8
121.06518	39.1
121.10152	18.4
129.06998	1.7
130.04144	1.6
130.06474	1.0
131.04938	25.1
131.06894	7.0
131.08521	4.4
132.05728	2.9
133.06512	7.2
133.10129	1.2
134.03638	5.9
134.07307	3.3
135.04459	4.9
135.08070	2.3
135.11697	5.5
137.05981	1.4
144.05672	1.2
145.02858	61.7
145.06494	10.0
145.07539	1.3
146.07280	99.0
147.04405	4.1
147.08080	10.2
148.05190	0.7
149.02347	2.1
149.05986	19.3
149.07108	1.3
149.09645	6.9
149.13292	1.7
158.06070	0.8
159.06413	1.1
159.08066	2.1
159.11760	1.8
161.05960	3.0
162.03151	2.5
162.06792	17.8
163.03909	2.3
177.05528	21.7
177.09117	100.0
177.12511	4.9
177.16409	10.5
178.09515	2.0
186.05511	1.3
191.85481	0.7
196.12303	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	177.0912
Annotation	5,6,7,8-Tetrahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
51.02388	0.6
52.61132	0.5
53.03954	1.2
53.47883	0.6
54.69097	0.5
55.01879	3.4
55.05517	1.6
57.03437	1.0
63.02374	0.9
65.03954	0.9
65.69543	0.5
66.06757	0.5
67.05511	6.1
69.03433	1.1
69.07070	0.7
70.59738	1.3
78.04707	1.3
79.05499	16.1
81.03431	1.2
81.07081	4.2
83.04987	2.4
89.03921	21.3
91.05485	36.2
93.07053	17.2
95.04979	4.8
95.08610	1.2
97.02905	2.0
98.98479	1.6
103.05485	4.5
105.03410	1.0
105.04462	0.6
105.07040	12.7
106.04155	3.1
107.04971	3.8
107.08603	9.8
109.06512	0.9
112.22997	0.5
115.05470	9.7
116.06248	4.9
117.03387	38.9
117.07026	100.0
118.07359	2.2
119.08636	0.7
121.06519	2.9
121.10149	11.8
129.07013	6.0
131.04971	1.4
131.08577	64.3
132.08910	0.8
133.06493	5.4
133.10106	2.6
134.03642	4.9
134.07166	0.5
135.04431	3.1
135.08061	12.0
135.11664	0.9
135.45544	0.5
141.06982	1.1
141.78201	0.5
145.02853	47.3
146.03339	0.6
146.07265	0.6
149.05989	13.9
149.09627	21.1
159.08069	13.4
160.07506	1.5
163.03902	0.8
169.38176	0.6
177.05496	13.5
177.09106	26.4
177.10658	1.3
177.12799	1.5
177.16351	2.1
186.05457	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	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03957	1.2
55.01912	0.7
55.05517	2.6
59.80017	0.6
63.02376	1.1
65.03970	0.8
67.05515	2.5
69.03442	0.9
69.07088	3.7
69.37704	5.8
74.51102	0.6
76.68613	0.6
77.96970	0.6
78.04730	1.6
79.05509	5.9
79.75478	0.6
81.07056	4.9
83.08627	2.1
88.02218	0.7
89.03926	23.2
91.05488	20.8
93.07071	11.3
95.04972	2.1
95.08617	6.4
98.98479	12.8
100.97894	0.8
102.04686	1.6
103.05486	9.0
104.06291	1.3
105.07032	7.7
106.04179	2.4
107.04964	4.0
107.08608	11.4
109.06522	2.8
109.07200	0.7
109.10163	1.4
112.47900	0.8
115.05463	12.9
116.06238	3.6
117.03394	31.3
117.07027	21.2
119.04938	4.3
119.08601	5.8
121.02901	1.6
121.06520	36.1
121.10146	15.4
123.04448	0.7
129.06978	1.2
130.04121	1.2
131.04950	26.4
131.08589	6.5
132.05721	2.3
133.06508	6.9
133.10155	1.8
134.03659	4.6
134.07301	4.2
134.08147	0.7
135.04442	3.9
135.08066	3.0
135.11707	5.9
137.05974	1.2
144.05725	1.5
144.09352	1.6
145.02863	41.7
145.06506	8.9
145.07571	1.0
146.07285	99.4
146.35779	0.6
147.04436	4.7
147.08084	9.0
148.05183	0.7
149.02339	4.2
149.06000	16.1
149.09634	6.3
149.13312	1.2
159.08052	2.7
159.11702	8.4
161.06013	2.7
162.03130	1.7
162.06783	15.7
163.03896	1.7
165.81831	0.7
177.05554	15.3
177.09126	100.0
177.12608	7.7
177.16431	6.9
178.09427	2.4
186.05502	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03946	1.9
55.01863	0.8
55.05507	2.2
59.04993	0.6
59.72883	0.6
63.02376	1.6
65.03965	0.7
67.05496	2.2
69.03412	0.8
69.07081	2.9
70.90337	1.4
76.65373	0.5
78.04719	4.5
79.05501	5.4
81.03424	0.7
81.07036	3.1
83.08632	1.5
85.49969	0.6
89.03922	50.2
91.05488	15.0
93.07051	10.0
95.04993	1.7
95.08617	6.9
98.98466	3.8
103.05481	3.7
104.59554	0.6
105.03386	2.3
105.07033	4.9
106.04169	7.2
107.04951	1.7
107.07929	0.5
107.08598	10.2
109.06494	1.1
109.10162	1.5
115.05434	4.1
116.06212	1.0
117.03387	81.9
117.07024	19.4
118.03733	1.7
119.04957	1.7
119.08566	1.4
121.06514	10.9
121.09309	1.0
121.10157	12.7
129.04488	0.9
129.05841	0.5
129.06985	1.1
131.04961	4.6
131.05832	0.8
131.06937	1.3
131.08568	11.6
133.06514	2.7
133.10150	1.4
134.03651	10.0
135.04431	5.8
135.08040	2.2
135.11719	2.4
145.02853	100.0
145.06494	2.4
146.03247	1.5
146.07272	18.5
147.04419	1.4
147.08023	1.6
149.05988	27.9
149.09644	3.3
149.13307	0.9
158.06087	1.1
159.08054	2.7
159.11719	3.9
162.03149	2.0
162.06760	2.9
163.03949	2.3
164.94989	0.7
177.05495	27.0
177.09105	26.4
177.12709	3.9
177.16495	4.5
186.05563	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03956	0.9
55.01877	0.7
55.05524	0.7
55.07730	0.4
63.02376	1.0
65.50990	0.5
69.07085	0.8
70.72652	1.2
70.72999	0.6
78.04723	3.5
79.05495	1.1
81.07043	0.8
89.03921	45.3
90.04232	0.6
90.08578	0.4
91.05480	4.4
93.07066	2.4
95.04992	1.4
95.08578	0.7
98.98471	2.3
103.05468	2.1
105.07058	1.4
106.04178	3.8
107.04930	0.9
107.08585	1.9
117.03385	76.9
117.07002	3.0
118.03735	1.1
120.08938	0.7
121.06515	2.2
121.10151	2.7
124.05206	0.7
131.04942	0.8
131.06807	0.7
131.08572	2.4
134.03644	7.5
135.04414	4.6
135.08017	1.3
135.11656	0.7
145.02852	100.0
146.03221	2.1
146.07335	1.0
149.02409	0.6
149.05986	23.9
149.09698	0.7
158.05930	0.7
159.04366	0.6
159.08098	0.7
159.11555	0.7
162.03122	1.2
163.03932	2.6
177.05475	26.2
177.08986	3.2
177.12880	1.1
177.16490	0.7
186.05472	1.8
186.79366	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
53.03946	1.7
55.01887	0.6
55.05510	3.8
57.07084	0.9
63.02389	1.7
65.03931	0.8
67.05511	1.7
69.07069	9.4
70.96233	1.3
77.03918	0.7
78.04719	4.4
79.05496	5.5
81.07046	4.5
83.08619	5.6
89.03922	56.0
91.05478	8.8
93.07056	11.6
93.30328	0.6
95.04985	2.1
95.08610	10.4
97.04722	0.5
97.10136	0.7
98.98467	10.9
100.98912	0.8
103.05469	2.2
105.03403	1.0
105.07040	4.8
106.04201	3.8
107.04938	0.7
107.07863	1.1
107.08600	22.0
109.06528	1.3
109.10123	3.9
114.32790	0.5
115.05476	0.6
117.03386	87.6
117.07033	1.7
118.03722	0.8
119.06091	0.6
119.08591	1.8
121.06520	3.0
121.10151	29.2
122.75536	0.5
123.08107	0.8
124.05201	1.3
131.04956	1.2
131.08574	2.7
133.10139	1.8
134.03645	11.2
135.04428	9.6
135.08060	0.8
135.11699	6.4
145.02855	100.0
146.03221	1.3
146.07271	3.4
147.08005	0.7
149.02298	1.8
149.05992	28.8
149.09657	0.9
149.13260	2.5
158.06059	2.4
159.07973	1.2
159.11710	1.5
162.03143	2.4
163.03900	4.0
177.05478	34.0
177.09061	9.8
177.12782	4.3
177.16403	14.4
178.08600	1.1
186.05484	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	177.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	14.7
57.03434	0.5
65.03932	0.4
69.03427	1.0
70.06612	1.0
70.30161	2.0
71.95289	2.4
73.02927	2.8
77.63489	0.4
81.03432	0.8
84.96032	0.7
85.02947	0.8
85.98376	0.4
89.03928	2.1
91.05482	0.6
93.07077	0.7
97.02890	0.6
98.97595	100.0
99.97945	0.7
100.02531	0.6
102.19666	0.5
104.36426	0.5
107.04955	1.1
109.02853	1.2
110.03683	1.5
110.97582	1.7
113.00900	1.1
116.98637	65.3
117.03354	3.1
119.01865	1.1
121.01682	0.8
127.05112	0.5
128.02289	0.6
128.98622	1.7
131.00208	0.8
131.01929	5.1
131.05011	0.5
134.99673	26.8
135.04402	0.6
136.06221	0.6
140.00211	2.1
140.98587	0.8
145.02849	3.9
147.04471	0.5
149.01222	1.4
149.02972	0.7
149.05989	1.7
153.00758	3.0
154.03485	2.3
158.01189	1.1
158.99710	1.8
159.13289	2.5
165.04530	1.4
173.02927	0.7
174.03616	0.5
177.00731	2.3
177.02309	0.8
177.04146	0.8
177.05576	1.3
177.14297	0.8
187.66135	0.5
195.01898	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05513	8.0
55.21355	0.7
57.07068	0.9
60.72003	0.7
65.29720	0.6
67.05508	1.6
69.06717	1.5
69.07072	23.5
69.94615	4.2
79.05495	2.9
81.07062	4.6
83.08635	4.2
91.05484	9.7
93.07048	2.9
95.08597	4.8
98.21452	0.9
98.98471	1.0
104.53316	0.9
105.06384	1.5
105.07038	22.1
107.08624	6.0
108.77510	0.7
115.05453	0.9
117.07011	2.9
119.08588	92.0
120.08822	0.9
121.10139	2.2
129.07005	1.2
131.08553	3.7
133.10139	78.1
134.10440	1.2
135.11649	1.6
145.10168	7.0
147.11694	11.4
160.12483	2.9
173.13260	3.3
175.14839	100.0
176.15160	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	176.0707
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
53.03944	0.3
56.63603	0.2
61.36728	0.2
69.07072	0.4
69.62133	0.7
69.62549	0.8
70.07407	0.3
75.76118	0.2
77.03957	0.3
89.03936	1.8
91.05495	1.9
92.05812	0.4
96.04459	0.3
96.07464	0.2
98.98450	0.4
103.05468	1.9
105.07041	0.7
106.07369	0.8
112.02220	0.4
115.05473	0.3
117.03384	2.6
117.05737	0.8
117.07035	0.4
118.06550	39.3
119.06912	0.7
119.08598	0.9
120.08129	0.5
120.08895	2.1
121.06516	0.3
128.04980	0.4
130.06535	100.0
131.04951	0.3
131.06889	1.6
133.10120	0.4
134.03632	0.5
134.10486	2.0
145.02861	3.4
146.06023	0.3
146.07257	0.8
148.07535	0.8
148.12050	0.3
149.05992	0.9
158.06023	26.0
159.06383	0.5
176.07082	12.2
176.15181	2.7
177.05479	0.9
177.07692	0.2
177.09100	1.2
194.62250	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	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98644	0.5
56.96568	11.9
58.99844	0.4
69.61412	1.0
69.61822	1.4
71.95283	2.5
79.05502	0.4
89.03920	1.7
98.97589	100.0
99.97926	0.7
100.02470	0.6
103.00624	0.5
103.02373	0.4
105.02200	0.4
107.08610	0.6
113.00892	2.2
116.98627	68.3
117.03392	2.7
117.98959	0.8
119.01955	0.7
121.01681	1.4
121.06528	0.6
121.10197	0.5
123.03241	0.5
131.00331	0.7
131.01907	9.9
134.99666	31.9
135.03223	1.3
136.02481	0.5
140.00183	1.9
145.02841	3.6
149.01291	0.5
149.02940	1.6
149.05980	1.3
153.00748	3.1
153.04198	0.5
154.03499	3.8
155.01909	0.5
158.01263	1.0
166.05446	0.4
172.01416	0.5
173.02995	1.2
177.00861	2.0
177.04224	1.4
177.05508	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03933	1.2
55.05260	0.6
55.05513	8.7
55.31648	0.4
57.07067	1.0
63.70601	0.4
63.98940	0.4
67.05507	3.5
68.44012	0.4
69.07071	20.4
70.06609	0.6
70.49681	1.6
78.64024	0.4
79.05493	4.2
81.07060	11.0
83.08627	4.7
89.48296	0.4
91.05486	13.4
93.07046	5.1
95.04967	0.6
95.08611	8.4
98.98471	5.3
101.65913	0.4
103.05438	0.7
105.07033	35.1
106.07320	0.5
107.08601	8.0
112.97834	0.5
115.05497	2.0
117.07020	4.3
118.07813	0.6
119.08585	90.0
120.08921	1.4
121.10158	3.4
129.06995	1.5
130.06543	1.5
131.08569	6.6
132.09328	0.9
133.10135	99.6
134.10408	2.4
135.11646	0.7
142.07765	0.6
145.06578	0.5
145.10118	7.9
146.10884	1.7
147.04349	0.5
147.07977	0.6
147.11682	13.5
157.10117	0.6
159.11647	0.6
160.05197	1.0
160.08821	0.6
160.12448	3.9
173.13275	2.0
175.07581	2.8
175.11287	2.1
175.14833	100.0
176.15144	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05518	10.1
56.44716	1.4
56.48009	1.5
56.67924	1.4
57.07074	1.8
66.03203	1.4
67.05498	3.4
69.07076	24.1
71.32057	3.3
73.58499	1.4
79.05497	3.0
81.07066	7.2
82.83050	1.4
83.08627	3.7
91.05500	11.7
93.07042	3.7
95.08624	7.2
105.07039	28.4
107.07962	1.3
107.08604	7.2
113.29140	1.4
117.07057	3.7
119.08595	94.0
121.10160	2.8
131.08577	3.7
133.10147	71.8
145.10175	8.9
145.11121	1.5
147.11682	13.6
160.12474	3.8
169.56937	1.3
170.43176	1.4
175.14844	100.0
176.15218	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	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62999	0.4
51.02988	0.4
53.00326	0.5
53.03945	0.9
55.05516	10.3
57.07079	1.2
62.70118	0.4
65.03950	0.6
67.05514	3.3
69.07074	23.9
69.48988	3.7
70.06599	1.3
72.62941	0.4
73.55067	0.4
74.43536	0.5
77.03970	0.5
77.55817	0.5
79.05498	4.5
81.07066	11.6
83.08629	4.7
91.05487	13.7
92.35671	0.4
93.07053	5.4
95.04965	0.8
95.08614	8.8
98.98479	5.9
103.05489	1.2
104.06220	0.6
105.07039	34.7
107.08603	8.5
109.06592	0.5
109.10179	0.4
112.07552	0.7
115.05430	0.9
117.07027	4.2
118.06559	1.0
119.08590	100.0
120.08881	0.9
121.10159	3.8
128.06259	0.5
129.07024	1.2
130.06517	3.2
131.08586	5.8
132.09338	0.8
132.95866	0.8
133.10141	81.1
134.10522	1.6
135.11707	0.9
145.10139	7.7
146.10928	2.0
147.08049	0.6
147.11702	13.8
148.12044	0.5
150.96841	0.7
158.06024	0.9
158.10941	0.6
159.11740	0.5
160.05182	0.6
160.12527	3.1
173.13316	2.4
175.04019	0.6
175.07578	1.9
175.14841	96.6
176.15251	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22376	0.6
53.03932	0.9
55.05514	9.7
57.07080	1.3
67.05503	2.9
69.07070	19.2
70.06583	3.2
70.72565	1.8
76.07198	0.8
77.03893	0.7
79.05502	4.4
81.07056	9.1
83.08619	4.3
91.05487	13.8
93.07043	5.8
95.08615	8.0
98.98483	7.4
99.43087	0.8
103.05457	1.1
105.07037	38.7
107.08599	6.0
112.07590	1.1
115.05387	1.1
117.07045	4.1
119.08587	94.9
121.10147	2.6
127.21270	0.7
129.06969	1.2
130.06555	3.0
131.08589	8.6
132.09372	1.2
132.12909	0.7
132.95854	2.3
133.10139	71.3
134.10385	1.2
135.11745	1.0
145.10121	5.8
146.10893	2.8
147.08134	1.0
147.11699	15.1
159.11650	1.0
160.05179	0.8
160.12544	3.3
173.13211	2.5
175.07536	1.7
175.11232	3.0
175.14839	100.0
176.15160	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03943	0.8
55.05515	9.1
55.99171	0.6
57.07084	0.8
62.09492	0.6
67.05507	5.9
69.07073	11.2
69.72348	3.8
70.06593	1.8
79.05500	7.0
81.07062	27.7
83.08613	2.8
91.05482	15.7
93.07043	10.3
95.08612	16.3
98.98482	5.8
103.05473	1.7
105.07035	67.2
106.07331	0.8
107.08597	17.1
109.10156	1.9
117.07053	5.7
118.06522	0.8
119.06830	2.1
119.08587	100.0
120.08923	1.9
121.10136	3.1
123.71638	0.6
125.02705	0.6
129.07008	1.1
130.06561	4.6
131.08572	8.2
132.05772	0.7
132.09293	1.0
133.10135	57.7
134.10545	1.0
145.10173	4.2
146.05988	1.1
146.10890	2.8
147.06367	0.9
147.11688	21.1
157.10170	0.7
158.05997	1.2
160.12483	2.4
173.13260	1.9
175.06038	0.7
175.07515	2.0
175.11340	1.7
175.14836	72.6
176.15234	1.2
184.54831	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.3
67.05494	2.1
69.07076	18.5
69.28761	1.8
69.47569	5.0
69.48000	6.7
70.82755	1.7
79.05472	4.5
80.58181	1.6
81.07050	9.9
83.08617	4.8
91.05492	15.1
93.07049	4.4
95.08620	9.7
98.98477	5.7
104.06279	1.6
105.06375	3.2
105.07032	33.0
107.08594	7.3
115.05463	10.6
117.07026	5.7
119.08590	81.5
119.46054	1.5
121.10136	3.0
128.06154	2.9
129.07005	2.7
131.08600	4.8
132.05748	4.1
133.10141	86.4
143.04959	2.8
144.05690	3.6
145.10139	7.0
147.04326	1.9
147.08070	3.7
147.11710	17.6
160.05185	15.3
160.12483	4.2
162.82339	1.7
175.07556	24.4
175.14836	100.0
183.86113	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	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
56.96569	1.5
57.03431	0.6
58.18471	0.2
58.61806	0.2
60.05651	15.0
60.08151	0.8
67.05477	0.5
68.05035	0.3
69.03423	0.4
70.06593	100.0
71.04992	0.8
71.06918	0.8
71.45832	0.4
72.08154	1.7
73.02911	1.1
81.03378	0.2
84.08143	6.2
85.01410	0.9
85.02907	0.5
85.06545	1.1
88.07635	0.3
97.02884	0.6
97.07623	0.2
98.06041	1.3
98.97596	1.1
98.98475	0.5
99.04454	0.4
101.00890	2.5
103.00625	0.3
103.02454	1.8
109.02936	0.3
110.97578	0.6
112.07607	29.5
112.08704	1.5
113.07950	0.4
114.10307	0.4
115.02431	0.6
115.08685	1.4
116.07095	18.1
116.98637	0.4
117.36433	0.2
119.01929	5.2
120.01992	0.3
120.03468	0.2
120.26463	0.2
121.01646	1.0
121.03461	0.5
127.02384	0.3
128.98624	0.5
129.10211	1.3
130.08670	2.3
130.09781	5.5
130.12274	0.6
131.01871	0.6
132.02066	0.3
133.01758	0.5
133.03468	4.7
137.02974	1.0
143.01881	0.7
144.13855	1.6
145.01688	0.3
145.03445	1.6
151.04510	1.3
152.06046	0.2
152.15245	0.2
157.03531	0.3
157.09653	0.3
158.08113	0.3
158.09264	3.4
161.03026	0.8
163.02719	0.4
163.04544	0.4
174.99127	1.1
175.02931	0.4
175.04510	5.1
175.05916	0.3
175.10768	1.1
175.11975	8.4
175.14450	0.7
176.16455	1.5
185.02956	0.3
187.02643	0.3
193.00255	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	175.1191
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
51.67863	0.6
53.03936	0.7
53.35736	0.5
56.96566	26.1
57.03436	0.9
60.05648	34.5
66.87542	0.5
67.05505	0.6
69.03423	1.1
69.07073	0.6
70.06592	100.0
70.40548	2.3
70.98121	1.0
71.04997	2.9
71.06115	0.6
72.08160	4.0
73.02914	0.5
81.03427	0.6
84.08154	6.2
85.01410	1.1
85.02914	1.0
87.04416	0.5
88.07634	0.5
88.99151	0.5
91.05483	0.7
94.54222	0.6
95.57951	0.6
97.02874	1.4
98.20869	0.6
98.97582	6.1
98.98465	4.1
101.00861	3.1
103.00670	0.5
103.02453	2.6
105.07059	0.7
110.97571	11.3
112.07606	1.6
112.08748	3.8
115.02415	1.5
115.05914	0.7
115.08661	0.9
116.07091	26.2
116.98611	3.1
119.01917	6.7
119.08542	0.6
121.01664	0.9
128.98616	13.5
130.06526	1.9
130.08658	2.1
130.09744	11.5
130.12292	0.7
131.00182	0.8
132.04465	2.1
133.03448	6.8
133.09988	0.6
134.99678	1.1
137.02965	2.1
138.20586	0.5
140.02344	0.9
145.03471	1.5
146.99663	5.0
151.04523	1.6
151.97108	0.6
156.98056	6.1
158.05971	2.6
158.09242	6.9
158.12907	1.4
163.02710	0.6
163.04436	0.6
165.00731	0.6
174.99152	27.8
175.04512	9.6
175.11903	19.5
175.14380	0.9
177.00777	0.8
192.98428	1.1
193.00204	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	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.95018	0.5
53.03937	1.0
55.05508	1.9
60.05631	0.7
65.03934	2.6
67.05508	2.0
69.03419	2.6
69.07058	2.2
69.98327	2.8
70.06590	7.0
71.04978	0.5
72.04525	3.2
72.93785	0.8
79.05481	1.6
81.07047	1.6
83.04967	0.6
85.75111	0.6
87.04417	0.6
89.03903	1.5
90.94829	0.8
91.05491	22.1
92.05785	0.6
93.07035	1.1
95.04965	0.7
95.08617	1.3
95.98158	0.5
97.02912	0.9
98.98474	27.9
98.99127	1.3
101.00862	0.6
103.05455	1.1
105.03427	0.6
105.07041	13.9
107.04917	0.6
107.08584	3.4
112.07594	2.0
115.05477	2.4
116.06277	0.8
116.07092	1.4
117.07019	3.1
119.04962	11.4
119.08592	41.6
121.06524	5.6
129.06996	2.2
130.06532	10.2
131.04924	1.0
131.08580	2.3
132.04453	2.5
132.05777	0.6
132.95833	3.2
133.06531	3.5
133.10135	9.6
135.08041	6.4
141.06998	0.7
142.07805	5.9
145.06500	15.4
145.10097	1.2
146.07274	4.5
147.03342	1.1
147.04414	8.1
147.06342	1.5
147.08064	6.2
147.11700	20.5
148.07568	0.9
150.96895	1.7
151.93800	0.7
157.04121	0.7
157.06493	0.7
157.10159	6.0
158.06041	1.8
159.08029	2.9
160.05199	1.9
160.08852	46.9
173.09642	1.6
175.03951	2.9
175.07741	5.3
175.11197	100.0
175.14690	6.9
176.07031	1.2
176.11537	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	175.108
Annotation	N(5)-Acetyl-L-ornithine
Peak:m/z	Relative Intensity
50.07743	0.2
53.78672	0.2
56.96564	1.0
57.03432	0.7
60.05650	11.5
60.08178	0.4
61.02957	0.2
67.05525	0.2
68.05031	0.2
68.14773	0.2
69.03429	0.3
69.90133	1.1
70.06595	100.0
71.05000	1.0
71.06927	0.8
72.08160	2.0
73.02921	0.8
75.37386	0.2
81.03433	0.2
84.08143	4.3
84.08613	0.3
85.01453	0.4
85.02924	0.5
85.06554	0.7
97.02910	0.4
98.06062	1.4
98.21477	0.4
98.97600	0.4
98.98458	0.7
101.00891	0.7
102.00945	0.2
103.02454	0.8
110.01334	0.2
112.07610	32.7
112.08697	1.3
115.05872	0.6
115.08690	1.7
116.07097	15.2
119.01927	2.3
121.03516	0.4
129.10240	1.5
130.08656	1.5
130.09782	4.3
130.12308	0.5
131.01907	0.3
133.03464	1.5
133.09776	0.3
137.02917	0.3
143.01860	0.3
144.13818	1.1
145.01677	0.2
145.03484	0.8
151.04550	0.5
157.10886	0.4
158.08098	0.5
158.09265	2.2
174.99127	0.4
175.04550	1.8
175.10742	1.4
175.12001	6.0
175.14467	0.6
176.16457	0.6
186.03038	0.3
193.00235	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	174.1491
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
55.01874	2.4
55.05514	19.2
55.93540	1.1
56.05042	2.1
56.05859	1.6
57.03434	2.6
57.07082	3.8
59.05016	1.4
60.04523	1.4
67.05508	5.6
68.05033	1.2
69.03448	1.8
69.07076	41.5
69.21410	0.7
70.06607	3.2
70.58983	1.9
70.95869	6.0
72.04507	0.9
72.93790	6.8
73.06564	1.7
73.93831	1.0
79.05498	8.9
81.07069	8.5
82.06567	0.8
83.04999	6.1
83.08611	1.1
84.04501	1.8
84.05344	0.9
86.06070	1.5
86.09721	4.1
86.10165	0.7
87.04522	1.0
88.96914	0.9
90.91779	0.6
90.94836	3.0
91.05486	4.1
93.07050	15.5
95.08616	10.4
96.04484	1.5
97.02886	2.1
97.06534	6.6
97.10172	14.2
98.98476	9.9
101.06045	1.8
105.07040	2.5
111.04450	1.2
111.11719	2.6
111.98496	4.0
112.04780	1.7
112.07610	1.1
113.96407	0.7
114.05537	3.1
114.09182	1.4
115.03909	0.9
115.05470	1.6
115.11226	0.7
116.04971	1.3
117.05766	1.4
118.06543	8.2
119.06944	0.7
119.08578	4.2
121.10162	9.8
128.04965	6.1
128.10686	1.3
129.07086	0.9
129.99529	1.9
131.08673	0.9
131.97484	0.9
132.04407	1.6
132.08073	1.9
132.08965	1.0
132.95850	14.1
133.10144	1.8
138.12807	2.5
139.11200	4.3
146.06021	25.1
146.10495	0.7
147.04422	0.9
147.06364	1.0
147.08095	0.8
147.11711	1.0
149.96091	0.6
150.96904	18.3
155.97455	4.6
156.07359	1.3
156.13850	100.0
157.14198	1.6
160.05205	1.4
160.08806	1.8
167.97188	1.0
172.03993	1.8
173.98526	4.7
174.05501	15.2
174.07635	2.5
174.09055	0.9
174.12633	1.4
174.13589	1.6
174.14919	25.4
175.07558	2.4
175.11145	4.2
175.14893	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	174.0915
Annotation	6-Methoxy-4-methylquinoline
Peak:m/z	Relative Intensity
50.60774	0.3
55.01891	0.4
55.05505	0.9
56.95261	0.3
57.03447	0.3
68.05032	0.8
69.07090	0.4
71.04967	0.4
81.07069	0.5
85.02903	0.6
90.94810	0.4
91.05488	2.6
96.04504	1.9
96.96133	0.4
97.02878	0.9
98.98473	4.9
101.37598	0.3
102.06363	0.4
103.05464	0.5
105.07034	1.5
114.05549	0.8
114.09192	0.6
115.03938	1.1
115.05461	14.2
116.04970	0.7
117.05746	1.6
117.07034	2.8
118.06546	6.8
119.08595	2.9
120.08898	0.4
128.05000	0.9
129.07007	1.5
130.06534	46.3
131.04979	0.6
131.07368	6.2
131.08499	0.9
132.06465	0.4
132.08083	5.9
132.08934	0.9
132.95851	0.8
133.06528	0.4
133.10130	1.5
140.04929	0.8
142.06532	18.7
143.07315	18.8
144.04431	1.4
144.08092	29.2
145.06534	0.6
145.08499	0.6
146.06012	4.0
146.09581	0.8
146.10585	0.6
147.08060	4.1
147.11742	0.4
150.96881	0.6
158.06001	4.4
159.06804	51.7
160.07497	2.4
174.09152	100.0
174.18523	0.7
175.03951	0.4
175.07664	0.5
175.09477	2.7
175.11218	1.2
175.14857	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	174.0553
Annotation	3-indolylglyoxal
Peak:m/z	Relative Intensity
51.24773	0.2
54.05846	0.2
54.87746	0.2
55.05511	0.3
67.30541	0.2
67.31216	0.2
70.95863	0.3
71.03609	0.4
71.84369	0.2
72.93797	0.2
81.07060	0.3
82.06563	0.3
90.94807	0.2
91.05486	12.7
96.04495	0.2
97.02879	0.3
98.98489	1.4
105.07047	0.6
111.98474	0.3
114.05540	0.4
115.05512	0.2
117.05775	6.3
118.06553	100.0
119.06186	0.3
119.06918	1.5
119.08587	1.1
119.23051	0.2
128.10722	0.2
131.08636	0.3
132.08046	0.3
132.08951	0.6
132.95807	0.5
133.10159	0.9
144.04431	1.2
146.06020	11.2
146.10516	0.4
147.11679	0.3
150.96918	0.7
159.11342	0.2
174.05516	5.6
174.08929	0.3
174.13698	0.7
175.07571	0.5
175.14825	1.0
188.73039	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	174.0552
Annotation	3-indolylglyoxal
Peak:m/z	Relative Intensity
54.88994	0.2
55.05509	0.3
60.04518	0.3
65.03932	0.2
68.05038	0.2
69.07037	0.2
70.06597	0.3
70.75217	0.2
71.57883	0.3
72.04520	0.3
81.07069	0.3
82.06563	0.3
84.04482	0.2
84.05334	0.2
90.94833	0.2
91.05488	13.6
92.05801	0.3
93.07092	0.3
96.04523	0.4
97.02898	0.2
98.98469	1.6
102.06313	0.2
105.07040	0.6
111.07567	0.2
111.98495	0.3
112.04814	0.5
114.05534	0.5
114.09200	0.3
115.03938	0.3
116.05799	0.2
117.05776	7.0
117.07024	0.4
118.06553	100.0
119.06875	1.4
119.08609	0.7
120.08945	0.2
123.94482	0.2
127.64141	0.2
128.04991	0.3
129.07039	0.4
130.06529	0.3
131.04971	0.2
131.08606	0.4
132.08066	0.4
132.08936	1.2
132.95853	0.8
133.10150	0.9
144.04449	0.9
144.05522	0.2
144.08917	0.4
145.06509	0.4
146.06020	11.8
146.10512	0.3
147.06342	0.2
147.08023	0.2
150.96913	0.9
155.97404	0.3
156.07426	0.2
159.08003	0.3
159.11328	0.4
163.81779	0.2
174.05499	6.1
174.09015	0.4
174.13847	1.5
175.07538	0.2
175.11172	0.3
175.14871	0.5
176.85867	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.35287	0.6
53.93805	0.6
55.05518	8.9
57.07055	0.7
59.04999	2.6
67.05520	3.1
70.93671	1.5
71.06142	0.8
72.93789	5.9
73.02942	0.8
76.02222	1.1
77.13513	0.6
78.45602	0.6
79.05492	1.8
81.07068	2.5
83.04983	9.5
86.57352	0.6
87.04482	0.8
90.90373	4.7
90.94836	3.5
91.05480	11.2
93.07062	1.5
99.04462	0.8
101.06017	9.1
102.51725	0.6
103.03310	2.2
103.05480	1.2
105.07036	13.5
108.95882	1.1
111.04449	11.6
113.05995	1.2
114.05505	0.8
115.05442	2.9
116.06261	2.5
117.07017	7.4
118.06561	1.8
119.08592	11.4
127.07560	1.8
128.06201	1.7
129.05524	4.1
129.07004	12.1
130.06592	1.4
130.07805	4.1
131.08577	99.0
132.08893	1.2
133.10139	2.8
142.07770	1.1
143.08568	20.4
143.09688	1.1
144.09357	10.0
145.06555	1.3
145.07671	1.7
145.10132	35.6
146.05994	0.9
149.94048	3.0
149.96115	1.4
155.03383	0.9
155.05977	0.9
155.07080	7.8
155.08464	1.1
156.09323	1.9
157.10173	1.5
158.07346	2.8
158.10927	28.8
159.11304	0.6
164.32571	0.6
167.97188	1.7
171.11713	1.6
173.02388	0.8
173.05922	2.9
173.08249	9.4
173.09679	5.2
173.13272	100.0
174.13686	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03960	1.1
55.01878	0.5
55.05518	8.5
57.07090	1.8
59.05000	1.6
67.05515	3.3
68.05032	0.7
69.03445	0.6
70.03745	1.2
70.04131	1.1
72.93809	1.5
73.84375	0.5
76.02230	0.7
79.05507	3.7
81.07054	3.4
83.04989	7.3
90.90395	1.5
90.94832	1.5
91.05489	15.7
93.07046	2.7
95.08632	1.0
96.04505	0.9
98.21484	0.6
101.06042	6.1
103.03298	1.8
103.05479	0.8
105.07046	11.2
107.08625	0.6
108.95839	0.6
111.04463	8.7
113.06023	0.9
114.05527	1.0
115.05451	1.6
116.06260	2.1
117.07030	15.0
118.06586	2.4
119.08597	8.1
121.12939	0.5
127.07571	1.5
128.06230	0.9
129.05522	3.1
129.07013	6.0
130.06534	0.7
130.07813	3.0
131.08582	100.0
132.08948	1.5
133.10146	0.8
143.08580	10.3
144.09363	4.0
145.06523	1.1
145.07628	2.1
145.10136	23.3
146.06013	1.4
146.10416	0.6
149.94044	0.7
155.07072	7.0
158.07312	0.8
158.10933	11.0
171.11754	1.1
171.45731	0.5
173.02365	0.7
173.08331	8.7
173.09789	2.4
173.13278	86.0
174.07544	0.6
174.13614	1.1
183.61472	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.59879	0.5
51.64447	0.5
55.05516	4.9
57.07070	0.5
57.07986	0.5
59.05003	1.2
59.81405	0.5
65.03928	0.6
67.05497	2.3
70.92622	0.9
79.05515	2.3
79.05896	0.5
81.07060	3.5
83.04986	5.8
91.05492	11.6
93.07052	1.7
95.08614	1.0
101.06016	3.6
103.03286	1.5
103.05440	0.9
105.07040	12.9
105.21339	0.6
107.08602	0.8
111.04458	7.4
114.05569	0.7
114.09150	0.5
115.05471	2.8
116.06242	2.0
117.07040	11.3
118.06546	1.6
119.08595	11.0
127.07566	0.6
128.06232	2.0
129.05469	2.1
129.07016	10.9
130.07814	6.8
131.08580	62.4
132.08954	1.0
133.10127	1.4
142.07793	1.0
143.08577	18.7
144.05789	0.8
144.09375	8.5
145.06479	2.3
145.10139	40.4
146.06096	1.1
146.10468	1.1
150.57419	0.5
153.06982	1.3
155.07047	4.0
155.08572	4.4
156.09317	1.1
157.06464	1.0
157.10054	1.1
158.07300	14.5
158.10931	26.5
159.08104	4.9
159.11288	0.9
171.11713	1.8
173.02374	1.4
173.08272	5.7
173.09671	32.9
173.13281	100.0
174.10382	3.0
174.13710	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	173.0963
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03938	2.3
55.01863	3.0
55.05518	15.7
57.07091	1.2
57.26811	1.2
59.04983	3.6
65.03942	2.1
67.05517	10.0
69.03432	1.5
69.07059	1.6
69.89349	6.7
72.93800	8.5
77.03924	2.0
79.05504	12.7
80.76725	1.3
81.03415	2.2
81.07040	6.3
83.04980	14.9
89.51929	1.2
90.94817	5.4
91.05490	39.1
93.07018	3.1
95.04958	3.3
95.08590	1.8
95.36968	1.3
97.08417	1.3
101.06025	11.8
101.70475	1.3
103.05453	5.6
105.03415	3.1
105.06396	2.0
105.07047	32.6
107.04959	5.0
109.10169	1.5
111.04443	20.5
113.05980	2.1
115.05456	15.1
116.06248	9.3
117.07034	43.7
118.06532	3.8
119.08578	15.0
121.72304	1.2
128.06230	11.7
129.05450	5.4
129.07010	48.8
130.07797	15.1
131.04900	3.9
131.08575	100.0
132.05673	2.3
133.10121	3.6
142.07797	2.0
143.08566	44.8
143.80293	1.3
144.05696	5.3
144.09363	9.7
145.06499	27.3
145.07614	2.9
145.10129	66.1
146.05992	4.3
149.96133	2.5
149.97275	1.5
153.07082	6.1
153.08102	1.5
154.07756	2.3
155.05972	3.0
155.07037	15.2
155.08545	28.6
156.09293	1.9
157.10150	2.5
158.07295	7.1
158.10924	37.9
167.97186	3.7
171.11671	2.4
173.08170	17.2
173.09624	98.0
173.13269	90.0
174.05518	2.7
174.10040	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	170.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11157	0.4
70.50822	0.4
70.64142	0.4
70.64488	1.0
115.05464	43.2
116.05791	0.9
140.04977	0.9
142.06535	28.7
143.06857	0.6
160.07585	1.3
170.06026	100.0
171.06461	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	172.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05515	2.5
56.96570	39.1
57.03437	0.7
57.07074	1.6
57.97357	0.5
58.99865	0.5
60.95847	0.5
67.05499	1.4
69.03428	0.9
69.07063	0.6
69.96194	0.6
70.94228	0.4
71.57273	0.7
71.87505	0.4
71.95274	6.5
72.04526	0.9
72.19344	0.4
72.93800	1.8
73.02920	0.6
73.06560	1.3
74.97609	0.9
77.00895	1.5
79.05502	0.5
81.03433	0.7
81.07056	0.7
82.01452	0.9
83.05011	0.7
85.02902	0.8
85.53747	1.4
86.00924	0.5
87.34631	0.4
88.51721	0.5
90.94826	1.5
91.05469	1.0
93.07079	0.6
95.01953	0.4
95.08576	0.4
97.02901	0.8
97.99219	0.5
98.97591	86.2
99.57117	0.4
99.97969	0.6
100.02489	7.4
101.00878	3.3
101.02562	0.8
102.02246	1.7
103.02419	0.8
104.01984	1.0
105.02220	1.0
105.07071	0.9
111.04424	0.7
112.99141	1.2
113.00834	0.6
115.02480	0.5
115.03971	0.5
115.97023	0.6
116.98630	100.0
118.03515	4.1
119.01927	18.0
119.03654	0.6
119.41458	0.4
120.02059	1.5
120.03303	0.9
121.01691	1.6
123.03209	0.6
124.97615	1.4
125.97385	0.6
126.09172	1.3
127.58410	0.5
128.02272	0.6
128.59213	0.7
128.98643	1.1
129.03886	0.7
130.00995	0.6
130.03410	0.7
130.93306	0.8
131.00188	6.2
131.01897	4.3
131.08557	0.5
132.05112	0.8
133.03456	0.7
133.10175	1.1
133.98112	2.3
134.48186	1.3
134.96132	1.7
134.99669	94.3
136.00034	0.8
136.48378	2.7
136.58908	1.0
136.98416	1.0
137.02948	6.6
137.48256	1.7
137.50026	0.6
137.59702	3.9
138.03113	1.0
138.09718	0.9
139.02588	0.6
140.00230	2.9
140.09943	1.4
142.03542	3.7
142.98631	0.7
143.01909	1.0
143.96611	1.4
144.03287	0.7
144.05099	1.1
145.03604	1.3
145.48891	4.8
145.98914	2.8
146.48779	3.9
146.60229	1.7
146.99658	0.5
147.05051	0.8
148.97403	0.8
149.01222	11.6
149.02896	1.4
149.04709	0.9
149.10500	12.5
149.60654	2.9
149.97237	1.2
151.98103	0.7
153.00725	14.1
154.03494	1.1
154.49426	0.7
155.01881	0.7
155.07072	0.6
156.99728	0.8
157.03462	0.7
157.99475	0.4
157.99983	0.5
158.01295	5.4
158.11032	2.6
158.61169	1.0
159.03178	0.5
159.05019	0.7
160.04581	1.2
160.61293	1.7
161.02988	1.6
163.02739	0.5
163.04539	0.6
164.07730	0.7
167.00400	0.6
167.02225	2.0
167.05852	0.7
170.05891	0.7
172.01581	0.5
172.02875	1.9
172.04605	1.2
172.08234	0.8
172.09799	1.0
172.11220	0.6
172.94275	0.6
173.01379	0.8
173.02994	1.6
173.06624	1.8
173.08217	1.2
176.02351	1.0
177.00891	1.8
178.49565	0.9
190.03940	2.9
190.05548	0.7
190.09186	0.8
190.95410	1.8
191.02361	0.5
191.04056	0.9
191.07637	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	169.1225
Annotation	Lilac aldehyde
Peak:m/z	Relative Intensity
53.03941	3.0
55.01878	9.9
55.05259	1.3
55.05520	15.1
56.96565	0.9
57.03432	2.1
57.07073	1.6
57.83611	0.8
59.04998	2.0
63.57190	0.9
65.03941	2.1
67.05170	1.5
67.05515	27.0
68.99785	1.8
69.03071	1.0
69.03440	10.3
69.07074	5.1
70.99482	2.4
71.01360	4.8
71.05002	9.6
71.42371	0.8
77.03939	0.8
79.05505	15.7
81.03062	0.9
81.03439	11.6
81.07066	43.0
83.04974	3.1
83.08636	9.5
85.02895	2.3
85.06547	3.7
89.07674	0.8
89.59573	0.7
91.04962	1.1
91.05494	15.2
93.05776	0.9
93.07049	6.8
95.04987	7.1
95.08616	5.9
97.02901	4.6
97.06541	1.3
99.04482	5.9
101.02396	13.9
105.03416	1.9
105.07038	8.4
107.08617	6.4
109.02891	5.4
109.06526	3.1
109.10165	5.0
111.00815	3.1
111.04408	2.4
111.08085	1.7
113.00066	0.9
113.06003	1.4
119.85901	0.8
123.04447	22.0
123.08116	1.6
123.11728	7.1
124.07581	1.6
125.09687	1.1
126.03196	4.9
126.03960	0.9
127.03903	2.3
128.95047	1.3
129.07025	1.5
133.02850	1.6
133.10144	4.0
139.03882	1.1
139.85776	0.9
140.04689	2.1
141.05493	15.8
141.07028	7.3
142.08708	1.0
146.96120	1.0
151.03918	14.4
151.11137	1.2
153.07030	2.0
154.07794	7.8
163.97659	1.4
167.08665	0.9
169.04999	15.7
169.07648	6.4
169.10138	18.2
169.12257	100.0
170.08182	2.1
170.09584	2.0
170.12634	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	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03943	2.5
53.29576	1.5
55.01878	10.0
55.05519	16.7
57.03435	5.4
65.03931	5.7
67.05512	91.6
69.03439	15.0
69.07073	31.8
69.55931	5.9
69.56339	4.0
71.04641	2.7
71.04999	37.8
79.05500	21.0
80.38005	1.5
81.03425	12.8
81.07064	84.5
83.04988	13.1
83.08621	2.7
85.02908	5.2
85.06553	22.1
89.61255	1.6
91.05486	24.8
93.07061	17.7
95.04991	14.1
95.08617	15.0
97.02891	5.1
97.06540	10.4
99.04463	12.3
99.08076	2.8
101.02386	11.4
105.07042	45.7
107.07880	2.7
107.08605	44.6
109.02903	7.8
109.06544	20.5
109.10167	100.0
110.10491	2.3
111.00815	7.1
111.04457	4.1
111.08086	5.8
113.06017	7.0
115.05479	1.8
123.04440	20.3
123.08054	8.2
123.11729	15.3
125.05989	1.8
125.09672	2.4
126.03144	10.5
126.33435	1.7
127.03907	4.0
127.07541	1.7
131.08586	2.6
133.10141	39.7
134.10445	2.3
141.05496	28.3
141.06937	9.2
143.25996	1.6
151.03940	12.1
151.07568	3.0
151.08661	1.7
151.11200	18.4
151.48404	1.5
153.07069	2.6
154.07803	7.8
163.97646	1.9
169.05006	21.8
169.06451	1.7
169.07611	28.3
169.10043	17.8
169.12227	2.0
170.09622	2.3
177.70981	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	169.0497
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03944	0.4
55.01870	0.8
60.47310	0.3
68.99783	3.6
69.07077	0.4
69.63186	2.5
71.05015	0.6
73.27034	0.3
81.03416	0.5
84.02128	0.4
84.41751	0.4
94.02847	0.4
97.02884	0.8
98.03663	3.2
98.21492	0.6
99.04504	0.5
109.02887	1.3
111.00811	28.6
113.06058	0.4
126.03140	32.4
127.03409	0.6
141.05472	100.0
142.05775	2.2
152.31311	0.3
169.04973	43.3
170.05345	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	168.0657
Annotation	Myrothenone A
Peak:m/z	Relative Intensity
53.03970	0.9
55.01902	1.3
56.05063	0.6
56.96581	0.7
57.03469	0.6
61.25388	0.4
61.34961	0.4
63.14595	0.3
65.03988	0.5
67.05504	2.4
67.92513	3.7
69.03470	1.0
69.07072	4.1
69.80832	2.2
70.06596	4.0
72.93819	0.6
79.05527	1.2
81.03421	2.0
81.07069	5.1
81.07446	0.5
82.94855	6.5
83.04991	0.9
84.04516	6.6
85.02895	0.5
85.93574	1.0
91.05511	0.5
93.07039	0.6
94.06609	1.2
95.05005	1.7
95.08646	1.5
96.04498	3.7
97.02905	1.0
97.05295	2.4
98.06099	1.0
98.20718	0.5
100.95922	0.4
101.02390	2.2
103.95692	0.5
105.07037	3.6
108.04511	0.9
108.69358	0.4
109.02882	2.0
109.06531	5.9
111.00828	0.9
111.04515	0.7
112.04061	0.4
112.07630	1.0
121.99346	0.5
122.06037	1.2
123.04463	2.4
123.08090	1.8
123.97438	3.1
124.04746	0.6
124.11117	0.4
125.04740	54.5
126.03141	0.7
126.12778	0.9
126.93767	2.7
127.03947	0.8
140.00410	0.5
140.07071	100.0
141.05531	2.5
141.07393	1.6
144.94806	2.8
144.95792	0.9
150.05481	2.6
151.03880	1.3
151.07532	0.9
152.99416	0.4
153.04222	1.8
162.95845	3.7
167.96449	0.6
168.06548	59.3
168.13789	1.1
169.04921	1.6
169.07016	1.0
169.08585	1.0
169.18661	0.5
185.97441	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	169.0498
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
55.01875	1.1
55.05525	0.4
67.05520	0.6
67.36042	0.4
68.99795	2.5
69.03416	0.4
71.04144	0.5
71.04460	0.5
71.05000	0.5
73.21222	0.3
80.90322	0.4
81.03420	1.8
81.07069	0.6
85.02962	0.4
95.04993	0.6
97.02898	1.3
98.03683	2.7
99.04499	0.4
101.02432	1.3
101.08259	0.4
109.02894	2.0
111.00813	25.8
113.06060	0.4
123.04453	1.3
125.02380	0.6
126.03145	33.3
127.03448	0.5
141.05476	100.0
142.05812	1.3
151.03856	0.9
169.04976	49.5
170.05281	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	168.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66993	0.8
55.01856	1.0
56.03053	0.9
56.96560	3.9
57.66175	0.8
64.06138	0.9
65.81942	0.8
67.05506	1.3
67.92514	7.2
69.03424	1.6
69.07069	1.3
70.02309	3.1
72.75206	0.8
81.03438	2.0
82.01463	1.8
82.94847	13.7
83.04996	1.2
84.99602	1.1
85.93542	1.7
85.97281	4.4
100.02473	3.5
101.00865	1.1
101.02460	1.9
102.02234	1.4
103.00645	22.0
103.01282	1.1
103.98329	31.8
104.00936	7.8
104.98376	1.2
109.02907	2.5
115.01154	2.1
115.02489	1.2
117.02181	2.4
118.03502	0.9
119.01913	1.8
120.02003	1.9
121.01674	85.9
121.99374	100.0
122.01962	34.0
122.06050	1.7
122.99459	2.6
123.02103	1.7
123.04448	3.9
123.97437	6.7
126.02236	2.0
126.03127	1.0
126.05529	1.3
126.93784	5.0
126.99828	1.9
127.02538	3.1
132.87488	1.0
135.03168	1.0
139.02705	23.7
140.00414	55.1
140.03032	10.3
140.07123	1.2
141.00482	1.0
141.05429	2.7
144.03230	26.4
144.94815	3.8
145.00952	98.3
145.03566	48.0
146.01076	3.4
146.03729	2.0
150.05557	1.7
151.03917	2.3
162.04320	6.9
162.95857	9.0
163.01988	84.3
163.04671	14.8
163.97716	1.3
164.02077	2.8
167.96399	1.7
168.02565	2.7
168.05139	3.3
168.06535	1.9
168.10229	1.8
169.05011	2.5
177.03596	1.3
182.89973	0.9
182.91495	0.9
185.97493	1.2
186.03371	1.8
186.06065	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	168.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01871	11.2
56.96289	4.3
56.96569	75.8
57.03440	27.3
61.02934	17.1
62.96805	2.9
65.02701	2.7
67.05495	5.1
67.92507	24.3
69.03439	25.4
71.04995	5.9
71.57037	2.9
71.57492	2.9
71.57854	3.0
71.95277	3.0
72.08169	4.9
72.37006	2.7
73.02923	66.7
73.95267	2.7
74.00259	3.1
75.01027	4.8
76.14256	3.0
77.00890	6.4
81.03427	15.7
82.94853	53.6
83.00811	3.9
84.01571	11.6
84.04512	4.5
84.96039	49.7
85.02913	31.3
85.93556	6.0
86.02822	2.9
86.99312	5.1
87.01905	6.7
88.02654	6.8
89.00787	7.3
90.01562	5.5
92.01258	4.1
93.01982	7.5
94.02684	8.0
94.06571	8.3
95.51433	2.7
96.01541	5.4
96.02462	4.5
97.02884	40.5
97.96795	3.8
98.01314	4.9
98.97595	40.2
99.01949	3.7
99.04476	7.0
100.02620	6.9
100.07630	5.4
100.95877	3.9
100.99182	4.6
101.00873	23.3
101.02359	3.4
101.03456	3.1
102.00963	4.9
102.01563	4.4
102.02417	9.9
102.52513	5.5
102.97033	6.7
103.00629	9.2
103.02398	7.3
104.52846	4.1
105.00346	3.0
105.02040	5.0
106.02673	5.4
106.06526	4.4
108.02404	5.2
109.02941	6.2
109.95905	5.6
110.01274	9.0
110.97619	5.5
111.02074	6.2
111.02923	11.0
112.99141	8.6
113.00890	22.7
114.00945	4.5
114.02410	5.8
114.96699	2.8
115.02438	15.9
115.03171	6.1
116.98640	21.6
117.02113	8.4
117.02916	6.9
119.01906	64.5
119.52074	3.4
120.01986	18.8
120.03440	3.2
120.98044	2.9
121.01671	40.0
121.03174	6.3
122.02038	11.6
122.06042	9.9
123.02928	6.1
123.04471	2.9
123.97459	31.1
126.92958	3.9
126.93753	23.4
126.97043	9.1
127.02419	7.4
127.03928	6.7
128.02452	7.0
128.98578	6.8
129.02946	6.4
130.03680	6.3
131.00183	11.1
131.01909	100.0
132.01984	25.5
133.01685	5.8
133.03484	15.1
134.99667	6.6
135.03217	7.8
136.02371	3.5
137.02913	6.7
138.03264	4.9
139.02618	9.2
139.69498	3.0
140.03085	4.6
142.01785	3.5
143.01894	32.8
144.02061	7.5
144.03241	9.8
144.94817	21.2
144.95807	2.9
144.98096	43.7
145.01724	5.4
145.03485	68.5
146.03648	4.2
146.99684	6.4
147.03111	8.2
149.01237	39.0
149.02974	18.1
150.05513	63.9
152.07097	6.9
154.03522	17.0
155.01903	26.7
156.02226	3.6
156.03438	16.5
157.03485	9.5
158.03831	4.2
158.99599	4.7
161.01579	4.1
161.02956	30.3
162.03021	5.6
162.95876	35.7
162.97003	4.3
162.99162	42.8
163.02768	12.6
163.04579	19.7
167.02194	16.1
167.96388	5.4
168.05070	13.4
168.06543	9.4
169.03481	5.1
173.01512	5.8
173.02971	42.4
174.04413	15.8
175.02867	4.0
175.04553	5.0
181.00104	5.9
185.02982	14.9
185.97552	8.4
186.03040	6.1
186.04520	4.2
187.04535	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	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03941	4.9
55.01879	3.4
55.05516	18.5
57.03432	2.3
57.07076	3.1
65.03939	5.3
67.05513	19.2
68.99815	1.5
69.03432	2.6
69.07076	33.2
70.74140	3.9
71.04993	5.6
78.04718	4.6
79.05503	22.9
81.03425	1.7
81.07066	100.0
83.04983	4.5
83.08635	16.0
85.02910	1.8
85.06551	14.9
91.05483	13.3
92.05816	1.3
93.03419	3.7
93.07053	48.8
94.04167	1.5
94.06589	2.1
95.04975	5.6
95.08614	30.6
95.55939	1.1
97.02859	1.9
97.06546	8.2
97.10160	5.2
98.98457	1.5
99.08092	5.9
103.05515	1.7
104.97634	1.7
105.04506	1.6
105.07018	10.6
105.73318	1.4
106.04197	1.5
107.05015	7.0
107.08609	45.8
108.05775	1.9
109.02887	2.5
109.06527	5.4
109.10141	9.4
111.04443	5.5
111.08095	16.0
119.04925	1.9
121.01638	3.8
121.02899	9.0
121.05613	2.1
121.06516	7.3
121.08446	2.0
121.10153	32.3
123.04428	13.8
123.08102	3.9
123.11719	32.6
124.05209	7.6
125.05970	3.8
125.09620	4.6
131.08606	3.2
134.03706	1.6
135.04453	2.0
138.05525	1.8
139.03970	7.0
139.07565	9.9
139.11191	2.6
143.96742	4.0
144.03249	2.7
147.37706	1.3
149.02374	35.7
149.04953	6.7
149.06049	3.1
149.09616	5.6
149.13278	20.8
150.05524	3.0
151.03874	2.6
152.04713	2.8
152.06201	4.4
153.06969	1.7
163.82715	1.3
165.07071	2.3
167.03406	9.7
167.07054	43.3
167.08563	14.4
167.10808	8.4
167.14328	82.2
168.08063	1.5
168.10287	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	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01864	4.9
55.05304	1.6
55.05520	20.5
57.03426	2.7
57.07066	4.7
65.03934	6.5
66.04723	2.0
67.05503	23.4
67.32106	1.5
67.93549	2.5
69.03426	4.1
69.07071	39.7
70.74434	5.4
71.04987	5.3
78.04704	5.6
79.05495	25.0
81.03427	2.9
81.07059	100.0
82.06583	1.7
83.04981	6.7
83.08620	16.7
85.02937	1.7
85.06547	16.2
91.05503	14.3
93.03392	1.7
93.05341	2.2
93.07050	54.3
95.04985	8.2
95.08611	28.2
97.02861	2.8
97.06532	10.8
97.10170	6.6
98.98486	2.0
99.08089	4.7
105.07028	10.7
107.04937	5.3
107.08600	51.7
108.05757	2.0
109.02837	3.8
109.06493	5.6
109.10160	11.4
111.04460	6.1
111.08102	19.2
121.01757	2.9
121.02855	7.8
121.06507	7.0
121.10152	30.9
123.04410	11.0
123.08070	6.1
123.10817	2.3
123.11710	40.5
124.05217	4.7
125.05975	4.3
125.09618	5.1
127.98241	1.8
129.73145	1.9
131.08585	3.1
137.09665	2.1
139.03897	3.2
139.07526	11.1
143.96715	3.4
147.04431	2.5
149.02357	33.4
149.04893	5.8
149.06004	3.6
149.09630	8.5
149.13277	22.7
150.05406	2.3
152.04637	2.6
152.06194	5.0
165.07014	3.0
167.03403	10.7
167.07053	40.3
167.08586	18.1
167.10718	8.0
167.14325	92.4
168.06635	2.9
173.82100	1.6
181.20415	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.73387	1.6
53.00301	1.8
53.03937	4.7
55.01860	4.0
55.05289	1.8
55.05516	17.2
56.23173	1.5
57.03419	2.5
57.07076	2.9
59.04999	3.1
65.03933	3.8
67.05505	27.8
69.03422	6.2
69.07071	19.3
69.49631	6.7
69.50060	5.2
71.04995	25.8
73.06559	8.8
75.42182	1.8
77.03939	1.7
78.04718	17.0
79.05495	29.3
81.07054	29.8
83.04973	6.8
83.08611	5.0
83.49916	1.8
85.06544	4.2
91.05475	15.4
93.03410	2.1
93.07044	42.2
95.04985	7.1
95.08607	76.4
97.06532	10.2
97.99139	1.5
98.20754	3.4
103.05463	2.1
105.03423	2.5
105.07027	6.7
106.04163	4.8
107.04958	12.2
107.07874	2.6
107.08601	43.6
109.02864	3.9
109.06514	4.8
109.10153	16.7
111.04448	3.4
111.08084	8.3
121.02863	3.1
121.06509	4.9
121.10143	28.6
122.03623	2.3
123.04433	27.6
123.08075	3.3
123.11686	6.9
124.05244	8.7
125.05997	5.0
125.09626	4.9
131.08586	2.2
134.03667	1.8
137.05994	1.7
139.03899	6.1
139.07538	10.3
139.11180	1.9
149.02347	5.0
149.04967	2.0
149.06067	2.8
149.09602	7.2
149.13239	19.3
151.03900	4.7
152.04710	5.8
167.03374	3.8
167.07050	100.0
167.08424	4.6
167.10645	9.4
167.14331	8.7
168.17589	2.0
169.03432	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	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.93237	1.0
53.03950	5.3
54.29735	0.8
55.01880	4.8
55.05515	91.3
57.03436	4.2
57.07064	4.3
58.07088	0.9
59.05003	12.1
60.78744	0.9
62.36874	1.1
64.62058	0.9
65.03922	1.2
67.05510	18.0
69.03075	1.5
69.03432	25.3
69.07077	11.1
69.70494	1.6
69.70911	4.2
71.04981	2.8
73.06567	1.1
77.03910	1.2
77.96078	1.2
78.04707	4.0
79.05501	18.8
81.07060	18.2
83.04987	100.0
83.08137	2.0
83.08624	35.9
85.06549	9.8
89.31558	0.9
91.05493	8.3
93.07052	19.1
95.04955	4.3
95.08621	11.6
97.02914	1.1
97.06532	6.7
97.10181	10.4
99.08074	2.8
105.07021	10.8
106.04170	1.5
107.04965	4.2
107.07858	2.1
107.08595	35.0
109.06529	3.1
109.10159	18.6
111.04446	2.4
111.08084	27.1
112.08887	6.8
113.09647	2.6
119.08588	1.2
121.01680	1.2
121.06526	4.9
121.10153	19.4
123.04449	9.2
123.08047	2.4
123.11726	8.4
124.05206	3.8
125.05997	2.1
125.09641	12.2
131.08595	4.8
137.09612	1.4
139.03876	1.1
139.07520	1.5
144.03250	1.2
144.16940	1.0
149.02347	1.5
149.09647	12.6
149.13284	6.3
151.03943	2.0
152.04727	1.8
167.03519	1.3
167.07059	30.2
167.08290	1.1
167.10657	7.1
167.14328	41.0
168.14684	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	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03947	1.5
54.11828	0.3
55.01880	4.4
55.05515	2.5
56.96576	0.3
57.03438	0.7
58.35648	0.3
59.04997	0.8
60.57496	0.3
63.38562	0.4
65.03944	1.7
67.05512	4.8
69.03427	1.2
69.07078	1.3
70.06599	11.3
70.98289	0.9
73.02924	0.5
75.18022	0.3
77.03902	0.4
78.04700	1.7
79.05498	38.7
80.05080	0.3
80.05812	0.4
81.03427	1.3
81.07060	6.8
83.04971	1.8
83.08619	0.6
85.02894	0.5
85.83809	0.3
87.04489	0.4
91.05492	10.1
93.03375	0.4
93.07052	21.7
95.04975	3.1
95.08613	2.6
97.02899	0.3
97.06528	2.0
103.05494	0.5
105.04537	0.5
105.07040	13.4
105.07751	0.7
106.04176	1.0
107.04999	2.5
107.08601	100.0
108.08946	1.0
108.19893	0.4
109.02895	0.6
109.06517	4.7
111.04439	1.6
111.08084	0.6
119.06066	1.3
121.01651	2.7
121.02908	1.1
121.05630	0.5
121.06529	3.1
121.08432	1.4
121.10154	17.7
123.04436	2.6
123.08067	2.0
123.11729	0.9
124.05182	1.7
125.06011	1.6
125.09673	1.6
131.08578	3.6
139.02771	0.9
139.03874	0.8
139.07541	1.8
139.11205	1.8
140.07062	0.4
143.96703	0.5
144.03267	1.3
144.95778	0.4
149.02350	0.8
149.04939	1.0
149.06017	0.9
149.09628	18.6
151.03918	0.6
152.04694	0.9
156.04343	0.3
162.04349	0.5
162.96927	0.4
167.03426	1.8
167.05626	0.7
167.07054	15.6
167.08304	0.6
167.10710	4.8
168.13799	0.8
189.04160	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03935	2.2
55.01876	0.8
55.05497	2.0
57.03440	1.1
57.07062	1.1
59.04988	1.2
65.03939	2.2
66.04722	0.6
67.05168	0.7
67.05508	10.6
69.03433	3.5
69.07059	2.3
71.04988	0.7
71.59032	1.2
74.36140	0.5
78.58576	0.5
79.05499	10.0
81.03433	2.9
81.07063	12.5
83.04980	1.8
83.08610	0.7
85.02913	0.6
89.03867	0.5
91.05489	41.8
92.05791	0.8
93.06543	0.7
93.07058	7.5
95.04980	10.4
95.08618	9.6
97.06515	1.3
101.00854	3.3
101.68625	0.6
103.05523	2.6
104.06226	0.9
105.03391	1.6
105.07043	13.8
107.04968	4.9
107.08604	9.0
109.06527	8.0
109.10171	4.7
110.07296	0.8
110.80219	0.6
117.07034	2.6
118.04101	0.5
119.01935	12.0
119.04953	56.9
119.08590	16.0
120.08121	3.1
121.06517	6.1
121.10171	5.3
122.03661	0.8
122.07296	3.3
123.04480	4.3
123.08082	13.8
123.11707	5.2
124.02448	0.6
129.07028	0.8
132.05704	1.2
133.02864	1.7
133.06500	1.6
135.04388	1.3
135.08084	1.2
137.02991	3.7
137.05983	4.8
137.07953	0.8
137.09607	4.0
137.13264	1.5
138.05432	0.9
141.09081	0.9
142.03525	6.7
142.96721	0.9
147.04422	100.0
147.08066	5.7
147.11687	5.6
148.04778	1.9
149.06010	2.7
150.06764	7.2
160.04599	1.5
165.01863	1.0
165.04352	1.0
165.05547	9.2
165.06923	1.2
165.09134	28.7
165.12772	23.2
166.04994	0.7
166.08693	1.0
178.09219	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	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03940	0.3
57.10203	0.2
62.95361	0.2
78.87881	0.2
79.05506	1.3
91.05485	0.8
93.07053	2.2
93.34178	0.2
103.05479	10.7
107.04968	2.1
116.41685	0.2
118.06561	0.3
120.08115	100.0
120.15578	0.2
121.08446	1.5
131.04933	2.2
144.73753	0.2
149.05989	0.6
166.08661	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	167.0704
Annotation	3-Methoxy-4-hydroxyphenylacetaldehyde
Peak:m/z	Relative Intensity
51.25857	0.3
53.03948	2.8
55.01860	1.0
55.05506	0.9
65.03928	1.0
66.04725	0.7
67.05509	2.2
69.03435	0.5
69.07060	0.9
71.04993	0.5
71.11320	0.5
77.03912	0.5
78.04726	2.4
79.05059	0.7
79.05499	9.0
81.03429	2.0
81.07053	2.9
83.04957	1.2
83.08552	0.4
91.05496	2.5
92.02643	1.6
93.03399	1.0
93.07050	5.7
94.04186	4.3
95.04972	5.3
95.08595	1.0
96.05763	8.5
97.02908	0.6
97.06560	1.8
103.05510	0.4
105.03417	0.4
105.04535	0.8
105.07033	3.6
106.04179	0.8
107.04979	2.1
107.08604	8.0
108.05750	16.3
109.02886	4.1
109.06543	5.8
111.04449	1.2
111.08060	0.7
121.01683	0.8
121.02864	0.6
121.06556	1.5
121.10161	4.5
122.09697	0.5
123.04448	3.8
123.11721	0.6
124.05219	40.5
125.06044	3.6
125.09636	0.5
130.78557	0.3
131.08618	2.4
135.05539	0.7
137.09589	0.6
138.06760	0.9
139.07550	100.0
140.07927	2.4
144.03241	0.5
149.02354	1.2
149.09653	5.8
150.09119	2.4
151.03880	0.4
152.04704	0.7
152.06250	0.5
167.03392	1.0
167.07065	17.8
167.08554	1.4
167.10686	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	167.1067
Annotation	Piquerol A
Peak:m/z	Relative Intensity
53.03920	1.8
53.16026	0.7
55.01626	0.8
55.01876	12.5
55.05507	4.8
57.03437	1.2
57.78246	0.7
65.03943	1.9
67.05506	11.1
67.83933	0.8
69.03426	2.1
69.07054	1.3
69.27582	7.9
69.27975	1.5
71.04987	1.7
77.03895	1.4
78.04687	1.2
79.05495	60.0
81.03410	1.0
81.07067	4.0
83.04981	3.5
89.35960	0.8
91.05482	28.8
93.07047	47.5
95.04980	6.5
95.08602	2.6
97.06547	6.5
103.05462	2.0
105.04533	1.4
105.07036	55.1
107.04969	3.9
107.08599	100.0
108.08924	2.0
109.06533	4.4
109.07168	0.7
109.10173	1.0
109.76623	0.8
116.06227	2.6
119.08570	4.5
121.06516	10.8
121.10147	31.8
123.04454	1.1
123.08041	4.3
124.05265	0.9
125.06020	1.1
125.09615	0.9
129.06995	2.5
131.08577	42.8
133.06424	1.0
134.07237	1.6
136.75804	0.7
137.09618	16.3
149.09624	86.2
150.09938	1.5
166.58482	1.0
167.03397	0.9
167.07077	6.6
167.10687	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03939	0.5
55.01878	0.8
55.05504	0.5
56.96535	0.3
65.03934	1.6
67.05504	1.5
69.03449	0.3
69.07078	1.0
70.72995	0.8
77.86938	0.2
79.05501	1.6
81.03415	1.1
81.07059	1.4
83.05000	0.4
85.02878	0.3
87.47866	0.2
89.89572	0.3
91.05487	29.8
92.05842	0.4
93.07038	1.7
93.14304	0.2
95.04973	2.9
95.08624	1.6
98.20798	0.2
98.97591	0.8
101.00886	2.0
103.05474	0.7
105.03397	0.3
105.07050	1.9
107.04954	0.6
107.08609	0.7
109.02888	0.4
109.06512	1.1
109.10165	1.2
116.98643	0.5
117.06992	0.6
119.01943	7.5
119.04951	53.4
119.08590	5.0
120.05254	1.2
120.08111	0.5
121.06481	0.4
121.10140	0.6
122.07296	0.3
123.04444	2.2
123.08073	1.6
123.11740	0.3
124.02519	0.3
129.06952	0.3
133.02824	0.3
133.06548	0.3
137.03014	2.0
137.05983	1.5
137.09610	1.6
138.60062	0.2
142.03506	4.9
142.96661	0.6
147.04417	100.0
147.07991	1.7
148.04778	1.9
155.10265	0.2
158.99677	0.4
160.04550	1.3
165.01822	0.5
165.05539	2.7
165.06897	0.4
165.09106	3.2
165.12741	0.9
166.05067	0.3
177.00656	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	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.49467	0.8
53.03938	1.9
54.11552	0.8
55.01866	1.4
55.05516	8.3
57.03427	3.7
57.03680	0.8
57.07072	7.0
59.04994	3.7
65.03935	2.2
67.05508	34.5
69.03433	10.3
69.06771	1.0
69.07077	9.9
69.53583	5.6
70.30081	0.9
71.04989	1.6
72.84353	0.7
79.05052	1.1
79.05495	15.2
81.03407	3.3
81.07063	32.5
83.04967	3.2
83.08604	2.6
85.06555	1.0
90.11668	0.7
91.05486	23.6
93.07047	10.2
95.04975	53.8
95.08612	32.2
103.05475	2.1
105.07038	20.4
107.04965	5.9
107.08600	47.1
108.05755	2.0
109.06527	31.5
109.09267	1.1
109.10154	5.5
110.07349	2.1
111.08099	0.8
117.06982	4.2
119.01930	2.4
119.04958	6.7
119.08588	42.6
120.08114	1.7
121.06526	2.1
121.10149	10.3
122.07298	1.0
123.04452	1.6
123.08083	41.7
123.11713	29.8
129.06995	2.3
132.05701	5.0
136.08754	1.1
137.06006	1.4
137.09637	4.8
137.12392	1.1
137.13284	6.4
141.09142	0.8
142.03537	1.6
147.03369	1.1
147.04434	13.6
147.08063	22.4
147.11688	12.9
165.05540	0.9
165.09148	6.7
165.12764	100.0
166.13135	1.9
181.75883	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	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49467	0.8
53.03938	1.9
54.11552	0.8
55.01866	1.4
55.05516	8.3
57.03427	3.7
57.03680	0.8
57.07072	7.0
59.04994	3.7
65.03935	2.2
67.05508	34.5
69.03433	10.3
69.06771	1.0
69.07077	9.9
69.53583	5.6
70.30081	0.9
71.04989	1.6
72.84353	0.7
79.05052	1.1
79.05495	15.2
81.03407	3.3
81.07063	32.5
83.04967	3.2
83.08604	2.6
85.06555	1.0
90.11668	0.7
91.05486	23.6
93.07047	10.2
95.04975	53.8
95.08612	32.2
103.05475	2.1
105.07038	20.4
107.04965	5.9
107.08600	47.1
108.05755	2.0
109.06527	31.5
109.09267	1.1
109.10154	5.5
110.07349	2.1
111.08099	0.8
117.06982	4.2
119.01930	2.4
119.04958	6.7
119.08588	42.6
120.08114	1.7
121.06526	2.1
121.10149	10.3
122.07298	1.0
123.04452	1.6
123.08083	41.7
123.11713	29.8
129.06995	2.3
132.05701	5.0
136.08754	1.1
137.06006	1.4
137.09637	4.8
137.12392	1.1
137.13284	6.4
141.09142	0.8
142.03537	1.6
147.03369	1.1
147.04434	13.6
147.08063	22.4
147.11688	12.9
165.05540	0.9
165.09148	6.7
165.12764	100.0
166.13135	1.9
181.75883	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	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84447	0.4
56.96560	1.2
63.53650	0.4
65.92634	1.3
69.95222	2.3
80.94959	2.0
82.01471	0.7
82.72880	0.4
82.99834	2.8
83.34943	0.5
90.58616	0.5
100.02483	1.2
101.00889	37.2
102.00985	0.6
108.15730	0.5
116.58526	0.4
118.92899	0.4
119.01929	100.0
120.02023	2.5
121.02399	0.6
121.97569	1.3
123.04472	0.9
124.02470	5.8
124.93931	1.0
133.03450	0.7
134.10843	0.4
137.02965	21.4
138.03065	0.7
142.03510	62.7
142.94922	0.4
143.03627	1.6
147.04396	0.8
156.05110	0.6
160.04572	12.7
160.95995	0.6
161.04684	0.6
165.05084	1.0
166.07268	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	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03945	0.5
55.01886	0.6
55.05511	0.8
65.03947	1.5
67.05505	2.4
69.03429	0.5
69.27288	1.7
69.27720	1.8
75.62044	0.4
79.05494	1.7
81.03429	0.4
81.07052	2.1
83.93065	0.7
91.05483	27.4
93.07048	2.2
95.04984	5.2
95.08586	2.3
101.00892	1.2
101.94097	0.4
103.05473	0.6
105.07036	2.2
107.04971	0.8
107.08598	0.8
109.02876	0.4
109.06539	1.5
109.10174	1.9
119.01945	8.3
119.04948	50.6
119.08607	2.0
120.05261	0.4
120.08139	0.7
121.06508	0.7
121.10120	0.8
123.04429	3.8
123.08082	1.3
123.11683	0.5
133.02797	0.6
135.04456	0.4
137.03006	3.3
137.05995	1.4
137.09615	1.6
142.03508	6.6
142.96693	2.8
147.04414	100.0
147.11697	1.2
148.04752	1.5
150.06721	1.3
150.07988	0.4
160.04588	2.1
165.01820	0.9
165.05420	2.4
165.07013	2.2
165.09099	6.9
165.12758	3.3
165.98299	0.6
166.05064	0.5
166.08643	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
56.96574	4.6
63.92957	1.1
65.03942	0.8
65.92635	2.3
67.05514	0.6
69.03417	0.5
70.00374	1.8
77.03948	0.5
78.95276	1.8
80.94971	6.3
81.03458	0.5
82.01437	0.4
82.99842	2.9
83.93666	0.7
84.04517	0.4
84.96042	0.8
85.02911	0.6
91.05490	9.2
93.07059	1.1
95.04977	35.4
96.05300	0.6
97.02921	0.6
98.96023	0.4
98.97622	1.9
100.02526	1.1
101.00889	35.6
102.01020	0.5
103.05471	2.0
105.04520	0.9
109.06524	2.2
110.01318	0.5
115.02437	1.4
116.98615	0.4
117.03982	0.8
118.03546	0.7
119.01932	100.0
119.04950	28.1
119.49404	0.4
120.02005	2.3
121.02383	0.4
121.06493	1.2
121.97577	2.9
122.94282	0.6
123.04440	50.2
123.94549	0.5
124.02458	5.1
124.04884	0.4
124.93929	2.6
128.98676	0.4
133.03458	1.8
134.92546	1.2
135.04953	0.4
137.02968	20.5
137.05984	1.2
140.95230	0.7
141.95555	0.4
142.03511	62.8
142.95000	2.9
143.01895	0.7
143.03696	1.6
147.04407	8.4
149.94830	0.7
153.04051	0.5
154.04787	0.8
155.00180	0.4
156.05107	0.5
158.96371	0.8
159.69000	0.4
159.96919	0.4
160.04570	15.4
160.95996	2.9
161.02969	1.1
161.04747	0.3
164.97238	0.7
165.05284	1.5
165.96542	0.8
166.07201	2.3
173.01256	0.5
182.99638	1.0
183.06181	0.5
183.97585	0.7
184.04568	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	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.85424	0.2
53.03933	0.3
55.05507	0.3
57.03427	0.5
64.93911	0.3
65.03948	1.7
67.05497	1.8
69.03423	0.4
69.07077	0.3
71.05470	0.6
79.05495	0.6
81.07053	0.9
82.99814	0.3
87.06268	0.3
91.05488	28.6
92.05815	0.4
93.07057	0.7
95.04976	3.0
95.08608	0.9
101.00877	1.9
103.05455	0.8
105.07030	0.9
107.04941	0.6
109.02849	0.3
109.06512	0.8
109.10179	1.7
117.07034	0.7
119.01936	6.5
119.04949	54.6
119.08591	3.0
120.05254	0.8
120.08118	0.4
121.06500	0.6
123.04442	2.9
123.08075	1.7
131.04970	0.3
132.05678	0.6
133.05505	0.5
137.02982	1.6
137.05977	1.3
137.09641	2.0
138.05472	0.4
140.01056	0.3
141.18823	0.3
142.03505	3.9
147.04417	100.0
147.08003	2.0
148.04778	2.1
160.04587	0.9
165.04280	0.3
165.05513	2.3
165.09131	6.2
165.12697	0.4
165.14001	0.6
166.05008	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
50.01588	0.6
51.02363	0.9
51.15785	0.6
53.03738	0.8
53.03946	8.2
54.95080	0.5
55.01866	1.1
55.05515	4.3
57.07064	1.6
65.03940	0.7
67.05499	4.0
68.41683	0.6
69.07074	12.4
71.59557	0.6
72.93781	2.1
73.20444	0.5
77.03937	2.1
79.05499	20.7
81.03421	1.1
81.07063	23.1
83.08630	4.6
89.03918	6.0
90.94817	1.3
91.05489	9.9
92.02632	3.1
93.06465	1.3
93.07050	25.2
94.89423	0.6
95.04977	13.9
95.08614	15.0
97.10188	0.7
103.05481	1.7
105.03407	5.7
105.04503	3.3
105.07037	4.2
106.06566	0.6
107.04970	4.0
107.08601	57.3
108.08916	0.9
109.06517	0.9
109.10160	0.8
113.96393	2.5
117.03378	4.2
117.07020	1.6
119.04951	1.1
119.06050	1.1
119.08595	2.4
121.06493	1.7
121.10149	20.4
130.06566	1.0
131.04948	1.9
131.97441	2.1
132.08081	1.7
133.02864	23.4
134.03281	0.7
135.04428	34.7
135.08044	1.2
135.11707	6.9
145.02835	3.9
145.03845	0.8
145.06421	0.7
145.10094	1.6
163.03917	100.0
163.07558	2.5
163.11159	7.4
163.12389	1.0
163.14828	30.1
164.04260	2.3
164.07080	0.8
164.15224	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	164.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
59.89061	0.4
61.01153	100.0
62.01482	0.4
66.04739	0.5
68.99783	2.3
69.55394	1.5
69.55798	0.9
76.02241	0.9
78.03802	1.8
79.05502	0.9
86.02429	2.9
87.00830	3.1
89.03948	0.5
90.04273	2.3
91.05470	2.5
95.04990	1.0
95.08585	0.4
98.21481	0.5
104.01697	28.8
104.03472	19.4
104.05801	1.1
105.07065	0.9
105.28749	0.4
107.04919	0.5
107.08617	0.4
112.04002	1.1
115.08412	0.5
117.03437	0.4
118.03712	2.3
119.01971	0.6
119.04945	3.6
129.00075	17.8
130.05006	10.6
130.05937	0.6
132.05270	2.0
135.04448	0.5
136.04755	4.5
136.07579	3.0
140.39478	0.4
146.02676	11.8
146.10587	0.4
147.01170	1.2
147.04404	5.5
164.04050	6.1
164.07121	1.3
164.11613	0.6
165.05534	1.8
165.09152	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
66.10954	0.4
69.60047	3.4
73.21089	0.4
74.73840	0.4
81.85197	0.4
82.01478	0.6
82.99832	3.2
84.10464	0.4
89.19413	0.4
91.56075	0.4
100.02500	1.0
101.00893	38.4
102.00983	0.8
115.02498	0.5
119.01932	100.0
120.02005	2.4
121.02351	0.7
124.02455	6.3
133.03429	0.8
137.02969	19.4
137.04030	1.0
142.03513	61.9
143.03658	1.7
156.05014	0.4
160.04572	13.7
165.05122	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	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
56.96563	1.2
57.03436	0.5
58.99859	0.5
65.92616	0.6
69.03413	0.7
69.62441	2.9
70.99880	0.7
71.04980	0.4
77.00932	0.4
80.94961	0.9
82.01425	0.4
82.99831	2.8
87.37112	0.4
91.97502	0.4
95.04980	1.9
97.02878	0.5
98.20862	0.8
98.97580	0.5
100.02487	1.1
101.00888	38.7
102.00976	1.0
119.01929	100.0
119.04928	1.6
120.02031	2.3
120.08119	0.7
123.04449	2.2
124.02457	7.7
125.40770	0.5
131.01970	0.5
133.03444	0.8
137.02960	20.6
138.03072	0.5
142.03513	66.2
142.95027	0.5
143.03665	2.3
147.04485	0.6
149.30994	0.4
156.05060	0.9
160.04575	14.5
161.03018	0.4
165.05135	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.51776	0.9
53.03949	11.1
55.01870	1.9
55.05305	1.0
55.05515	11.7
57.07057	3.1
65.03925	1.2
67.05170	1.6
67.05509	23.4
67.05868	1.6
69.03426	2.0
69.07065	10.8
71.48583	1.9
77.03935	2.3
79.05495	62.1
81.03413	2.7
81.07060	41.8
81.66431	0.9
83.08613	7.0
88.26764	1.0
89.03935	5.0
91.05477	15.7
92.02611	4.1
93.07046	60.3
95.04968	15.0
95.08610	38.5
95.09050	0.9
95.09221	1.2
97.10165	1.6
103.05466	1.9
105.03400	4.3
105.04514	5.6
105.07037	5.5
107.04951	4.8
107.08596	57.2
108.08920	1.4
109.10148	3.1
117.03388	4.4
117.07018	2.9
119.04787	1.0
119.08569	3.8
121.06504	2.0
121.10146	73.4
123.08043	1.1
130.06529	1.8
131.04939	1.3
132.08084	1.5
133.02863	27.5
135.04428	34.1
135.08061	1.7
135.11694	9.2
136.04753	1.4
145.02737	2.3
145.10112	3.0
163.03911	100.0
163.07524	2.4
163.11182	15.2
163.14828	51.7
164.04308	2.8
164.15111	1.2
183.30676	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	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.22592	0.6
51.02391	1.2
51.98270	0.7
53.03953	10.3
54.03479	6.8
55.01876	1.5
55.05515	6.1
55.94836	0.7
57.03421	0.9
57.07075	1.4
64.96078	0.9
65.03960	1.1
67.05510	4.6
69.06721	1.3
69.07079	25.5
71.08624	1.3
71.19299	1.0
71.19627	1.1
72.93793	5.5
77.03935	2.2
79.05500	27.5
80.05027	0.7
81.03444	1.3
81.04557	5.4
81.07070	18.5
82.05325	1.6
83.04968	1.0
83.08617	4.5
89.03926	4.6
90.94846	1.2
91.05492	14.9
92.02626	4.7
93.07053	40.0
95.04980	21.9
95.06006	1.0
95.08617	17.8
95.09222	1.1
99.94920	0.9
103.05479	2.5
105.03406	7.5
105.04515	5.6
105.07032	10.9
107.04962	3.0
107.08607	99.8
108.08918	0.9
109.06523	2.6
113.96400	4.9
115.05466	1.2
117.03400	3.2
117.07037	3.4
119.06070	1.1
119.08603	5.0
120.05661	1.2
121.06528	3.5
121.10158	29.1
122.07182	3.7
123.08035	1.4
130.06511	2.1
130.07759	1.1
131.04936	1.9
131.97462	3.8
132.08118	1.8
133.02870	28.0
135.04433	36.4
135.08054	2.4
135.10797	1.6
135.11711	12.5
136.04784	1.0
136.08661	1.0
138.03178	1.5
145.02837	2.3
145.06500	0.9
145.10152	7.0
154.99060	1.2
163.03925	100.0
163.07547	3.9
163.09824	4.3
163.11201	19.2
163.14838	62.6
164.04257	3.2
164.07047	1.5
164.15247	1.5
168.55794	0.8
178.90259	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03935	5.8
55.01875	1.6
55.05511	13.4
57.07068	5.1
63.02380	2.3
67.05505	5.0
69.03415	2.2
69.07073	34.9
70.55298	4.1
70.55668	1.3
74.50198	1.2
79.05493	28.0
81.07057	6.1
83.08619	11.0
89.03922	58.8
91.05485	20.8
93.07049	37.1
93.92355	1.3
95.04964	8.8
95.08613	9.0
103.05458	18.9
104.23222	1.2
105.04523	1.5
105.07028	21.3
107.04952	15.2
107.08595	90.9
108.08174	1.4
108.09381	3.7
109.06524	3.8
109.10128	2.9
117.03381	46.0
117.07021	5.1
119.08573	11.9
121.06509	8.9
121.10147	100.0
123.08030	3.3
125.87363	1.3
131.04942	16.5
133.02856	5.6
135.04417	78.0
135.11693	25.3
136.04715	2.1
136.07568	4.7
145.02850	35.5
145.03976	1.8
145.06430	1.6
145.10072	6.3
148.12448	1.6
163.03914	78.4
163.07503	7.5
163.11171	16.5
163.14833	33.0
164.04277	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	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
53.03950	9.6
54.94416	0.6
55.01864	1.9
55.05514	6.5
57.07076	1.4
57.16715	0.5
65.03928	1.5
67.05510	9.9
68.68909	0.6
69.03430	0.8
69.07071	10.5
71.59576	0.8
77.03916	2.0
79.05498	33.8
81.03453	1.3
81.07061	20.8
83.04973	0.6
83.08621	3.9
85.23994	0.6
88.32276	0.6
89.03930	6.1
91.05487	10.4
92.02647	3.7
93.07050	34.3
95.04967	13.5
95.08615	20.0
100.02478	0.6
103.05457	1.2
105.03409	5.6
105.04499	3.0
105.07040	5.5
106.06565	1.4
107.02477	0.5
107.04961	4.4
107.08601	46.1
108.08918	0.7
109.06544	0.8
109.10156	1.4
112.22341	0.6
117.03393	4.5
117.07020	2.8
118.03455	0.6
118.06586	1.1
119.08604	5.3
121.06525	4.7
121.10149	36.4
124.88558	0.6
130.06540	1.9
130.07768	1.0
131.04929	1.7
132.08096	2.2
133.02863	25.3
133.06552	0.8
135.04431	34.0
135.08057	1.3
135.11716	7.7
138.03113	0.8
145.02869	3.4
145.06516	0.9
145.10115	4.0
148.08858	1.0
153.34724	0.7
156.27818	0.7
163.03917	100.0
163.07542	6.0
163.11183	33.4
163.12317	1.8
163.14828	33.8
164.04294	1.9
164.07007	0.7
164.11581	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	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.33345	0.6
51.02385	1.0
53.03952	5.2
55.01870	0.7
55.05518	5.2
57.07096	1.2
63.02378	1.0
65.03944	1.7
66.23643	0.5
67.05507	2.6
69.03433	2.8
69.07070	10.8
69.72330	3.4
69.72752	1.1
77.03935	1.6
79.05498	22.5
81.07063	17.4
83.08617	3.3
89.03925	26.9
89.04480	1.4
91.05487	100.0
92.02593	0.6
92.05833	1.6
93.07051	30.1
94.07383	0.6
95.04968	7.3
95.08617	13.6
98.20766	0.6
103.05478	12.6
105.03392	1.6
105.04571	1.0
105.07041	9.6
107.04964	11.3
107.08601	68.7
108.08914	0.8
109.06511	1.4
109.10181	0.9
115.05479	6.7
116.06195	0.5
117.03389	22.4
117.07030	32.3
118.07328	0.7
119.06116	0.8
119.08593	17.8
119.09453	1.0
121.06522	3.9
121.10150	19.8
130.07776	1.3
131.04013	0.9
131.04947	12.1
133.02858	6.6
135.04430	45.4
135.08046	4.2
135.11700	20.4
136.04753	1.3
136.07599	5.5
136.97223	0.6
141.73151	0.7
145.02870	15.7
145.03960	1.0
145.06512	5.9
145.10118	6.7
154.69319	0.6
163.03918	56.0
163.07553	14.8
163.11195	18.0
163.12569	1.3
163.14833	27.1
164.04283	1.7
164.15239	0.6
169.59279	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02377	1.7
53.03747	0.7
53.03949	9.0
55.01864	1.4
55.05513	6.7
57.07070	1.3
61.02919	2.3
65.03946	0.8
67.05173	1.1
67.05508	14.6
69.03431	1.8
69.07070	8.1
71.04993	0.8
71.59238	0.6
73.02907	0.9
77.03920	2.2
79.05496	40.9
80.05006	0.6
80.05807	0.6
81.03414	1.6
81.07062	30.1
83.08628	3.8
85.02895	1.6
89.03931	8.6
91.03932	0.7
91.05487	10.6
92.02615	3.1
93.07051	40.0
94.07398	0.8
95.04979	15.0
95.08608	23.7
97.02884	0.5
97.10178	0.7
103.05453	2.0
105.03401	5.3
105.04493	4.1
105.07034	6.0
106.06615	0.8
107.04964	4.4
107.08601	38.5
108.08929	0.7
109.06516	1.1
109.10146	2.1
117.03387	6.2
117.05746	0.9
117.07018	2.3
119.04973	0.7
119.06012	0.6
119.08568	2.6
121.06501	3.9
121.10150	40.6
122.10496	0.7
130.06516	1.1
130.07809	1.2
131.04906	2.4
132.08054	1.9
133.02861	20.2
135.04425	36.6
135.08035	2.3
135.11690	7.2
136.04747	1.3
138.03134	0.9
145.02875	4.0
145.06491	1.2
145.10126	6.0
149.05984	1.1
163.03917	100.0
163.07510	2.6
163.11203	14.4
163.12418	1.3
163.14832	30.3
164.04277	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02385	1.1
53.03949	7.9
55.01880	3.5
55.05501	3.1
55.24206	0.8
57.03441	1.2
57.07059	0.7
62.93042	0.7
65.03927	1.3
67.05512	4.9
69.03426	2.5
69.07071	5.0
70.98666	1.7
71.04996	4.2
77.03936	3.1
79.05497	26.8
81.03423	1.6
81.07063	6.3
82.49615	0.7
85.06581	0.7
89.03925	25.6
91.05485	26.0
92.02620	3.1
93.07047	24.4
95.04975	14.3
95.08608	3.1
96.60061	0.8
103.05478	48.3
104.05795	1.8
105.03407	3.6
105.04515	4.1
105.07033	11.1
107.04956	13.3
107.08603	25.5
109.06534	1.9
115.05468	2.8
117.03385	16.5
117.07023	13.2
119.08602	16.2
120.02094	1.0
121.06509	12.2
121.10147	11.7
126.92756	0.7
129.06987	0.8
130.07803	2.5
131.04939	55.6
132.05318	1.5
133.02867	19.3
133.10155	1.1
135.04428	53.4
135.08038	5.1
135.11703	12.4
136.07590	3.2
138.03090	0.9
143.08549	0.9
145.02866	14.6
145.06519	1.5
145.10141	14.5
163.03920	100.0
163.07545	15.9
163.08800	1.5
163.11189	35.4
163.14830	4.9
163.29799	0.7
164.04289	2.3
164.07071	1.1
169.42705	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02380	1.1
53.03737	0.7
53.03950	7.3
55.01883	3.8
55.05504	1.8
63.07785	0.5
65.03919	0.6
67.05508	2.7
69.03435	1.0
69.06728	0.6
69.07070	6.0
70.04337	2.4
77.03934	1.5
79.05499	13.3
81.03394	1.3
81.07057	5.9
83.08595	0.8
89.03916	5.2
91.05483	8.7
92.02642	3.0
93.07047	16.8
95.04973	11.1
95.08604	4.5
98.20804	0.6
103.05476	1.5
105.03397	3.2
105.04502	3.4
105.07035	6.7
106.06559	0.7
107.04970	5.0
107.08598	24.6
109.06512	0.6
115.05481	0.6
117.03385	4.2
117.07047	3.3
118.10311	0.6
119.04967	0.9
119.07784	1.0
119.08588	13.8
121.06514	6.3
121.10145	20.6
130.06470	0.9
130.07784	1.5
131.04939	0.7
132.08101	1.2
133.02863	18.9
133.06526	3.4
135.04422	30.0
135.08049	2.1
135.11690	5.5
136.04764	0.6
143.08545	0.9
145.02852	3.6
145.06488	1.0
145.10132	8.2
147.08052	1.2
148.08862	2.7
163.03914	75.4
163.07550	7.3
163.11186	100.0
163.14810	10.3
164.04271	1.5
164.11551	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02373	1.1
53.03739	0.6
53.03951	7.9
55.01858	2.6
55.05499	2.4
67.05488	1.7
69.03430	3.2
69.06770	0.7
69.07070	7.1
77.03932	1.7
79.05058	1.2
79.05497	13.9
81.03426	1.1
81.07057	5.9
83.08607	1.4
89.03917	6.1
91.05487	7.4
92.02629	3.5
93.07054	16.5
95.04979	12.0
95.08614	5.0
103.05468	1.2
105.03394	10.1
105.04480	3.0
105.07028	6.9
106.06631	0.7
107.04961	7.0
107.08601	23.1
109.06550	1.1
110.66474	0.6
112.32974	0.6
115.05415	0.7
117.03381	4.8
117.07025	4.1
119.04942	0.8
119.08591	6.5
120.02112	1.0
121.06509	13.1
121.10143	12.4
123.08090	0.6
130.06625	0.8
130.07794	3.5
131.04927	1.0
132.08089	1.3
133.02863	21.5
133.06479	1.6
135.04428	28.6
135.08075	2.1
135.11703	4.2
145.02832	3.0
145.10136	10.9
148.08841	5.4
154.73500	0.6
161.09665	1.2
163.03920	78.1
163.07545	3.4
163.11189	100.0
163.14825	11.8
164.04243	1.1
164.07018	0.9
164.11565	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02380	0.8
51.22282	0.6
53.03950	8.8
55.01870	3.9
55.05501	2.3
67.05494	2.3
69.03432	3.4
69.07072	10.0
69.51188	1.6
69.51599	4.8
74.96763	0.6
77.03905	1.5
78.93182	0.7
79.05500	13.4
81.03358	1.1
81.07059	5.8
83.04987	0.8
83.08631	1.9
89.03918	7.1
91.05489	8.8
92.02650	3.2
93.07050	18.7
95.04974	14.0
95.08617	6.0
96.49566	0.6
98.20743	1.3
103.05457	2.5
104.06236	1.6
105.03410	5.4
105.04507	4.1
105.07030	8.6
107.04967	9.1
107.08602	35.6
109.06528	1.6
117.03387	5.0
117.07045	4.2
118.06562	0.9
119.08592	7.5
120.02053	0.9
121.06513	17.8
121.09320	1.1
121.10149	14.5
130.06502	1.5
130.07794	3.0
131.04950	2.8
132.05751	1.1
132.08142	1.5
133.02863	21.9
133.06525	1.9
133.10132	1.0
135.04431	35.7
135.08057	3.1
135.11703	8.0
136.04688	0.7
140.97249	0.8
145.02864	4.5
145.06433	1.0
145.10132	10.2
147.08090	1.0
148.08826	6.7
149.05969	4.2
161.09624	0.7
163.03918	93.0
163.07558	5.0
163.11189	100.0
163.14825	16.1
164.04262	2.4
164.08401	1.2
164.11551	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	163.0391
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.03950	3.1
61.70731	0.6
63.02392	2.1
70.90759	1.8
70.91123	0.7
77.03921	1.3
79.05500	12.9
81.07049	0.8
89.03924	75.0
91.05492	9.4
93.07055	1.5
95.04965	4.3
103.05475	5.5
105.04556	0.9
105.07052	1.3
107.04965	14.2
107.08614	3.2
117.03388	59.8
117.07034	3.4
118.03723	1.1
119.05050	1.0
119.08596	2.2
121.06485	1.5
121.10160	1.6
131.04945	3.7
133.02882	2.0
135.04425	100.0
135.08028	1.6
135.11713	0.9
136.04768	1.4
145.02858	47.4
145.03886	1.8
145.10098	0.9
146.03212	0.8
148.99747	0.7
163.03918	82.9
163.07574	2.8
163.11186	5.2
163.14815	1.2
164.04297	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	163.0754
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
51.02394	0.4
52.65702	0.2
53.03946	3.5
53.15654	0.3
55.01870	0.8
55.05514	1.3
56.88349	0.3
65.03962	0.8
67.05508	1.3
69.03428	0.5
69.07060	2.4
70.55788	0.9
77.03925	1.5
79.05492	9.6
81.03420	0.6
81.07062	3.7
83.08649	0.3
89.03921	10.9
89.04478	0.7
91.05482	100.0
92.02633	1.1
92.05811	1.3
93.07047	7.1
95.04966	5.1
95.08607	2.7
103.05472	7.2
103.06128	0.5
105.03417	1.7
105.04508	1.5
105.07044	2.1
107.04956	6.4
107.08599	14.5
108.08098	0.4
109.02891	0.5
109.06516	0.8
109.72810	0.3
112.06477	0.3
115.05460	6.8
117.03386	9.9
117.07018	33.3
118.07336	0.7
119.08580	16.5
120.02080	0.5
121.06480	2.1
121.10133	4.4
127.03899	0.6
131.04933	6.2
133.02847	8.4
135.04422	23.8
135.08066	2.3
135.11687	4.2
136.04703	0.5
136.07567	2.9
145.02858	6.5
145.03999	0.5
145.06502	5.0
145.07608	0.7
145.10143	1.5
146.17476	0.3
163.03911	42.8
163.07541	9.6
163.11177	3.9
163.12419	0.4
163.14813	5.9
164.04243	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
51.02372	1.6
53.03954	9.0
55.01868	6.0
55.05521	4.3
56.46027	0.9
57.03431	1.5
65.03940	1.4
67.05225	0.9
67.05507	10.1
69.03422	4.0
69.07063	4.9
71.05006	10.1
71.13968	2.3
77.03928	3.1
79.05499	42.2
79.05961	2.0
81.03414	1.8
81.07061	11.4
83.04987	3.6
85.02901	2.6
89.03922	10.6
91.05486	51.3
92.02628	2.5
93.07051	49.9
94.07410	0.9
95.04977	16.1
95.08622	4.4
97.06549	1.7
103.05473	96.0
104.05762	1.6
105.03412	4.5
105.04511	3.7
105.07034	16.7
107.04963	13.5
107.08597	29.2
108.08895	0.9
109.06530	2.9
109.20463	0.8
115.05450	3.9
117.03372	8.7
117.07021	25.5
119.06079	0.9
119.08589	42.0
121.06512	33.4
121.10154	19.5
127.63801	0.9
130.07819	6.9
131.04935	100.0
132.05292	2.7
133.02855	17.3
133.10159	1.5
134.07289	1.5
135.04424	31.8
135.08055	10.3
135.11696	19.1
136.04761	1.1
136.07570	1.5
143.08601	1.9
145.02875	7.1
145.10130	28.8
163.03918	79.9
163.07553	24.0
163.11188	85.5
163.14786	4.4
164.04266	1.8
164.11568	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	163.0391
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.03935	3.6
55.01881	0.8
63.02365	1.3
65.69587	0.8
69.03417	1.0
69.07065	1.2
69.51156	0.9
70.15988	3.2
77.03941	1.0
79.05498	14.2
81.07063	1.7
87.52110	0.9
88.23460	0.7
89.03925	68.5
91.05494	5.9
93.07049	3.2
95.04989	5.2
95.08580	1.8
102.50834	0.8
103.05470	8.0
105.03382	0.8
105.04511	1.5
105.07035	2.2
107.04959	15.9
107.08607	5.1
117.03389	61.1
117.07001	2.1
119.08572	1.4
121.06493	1.1
121.10159	3.4
130.07835	1.0
131.04919	7.7
133.02849	5.5
135.04428	100.0
135.08026	1.7
135.11676	1.4
136.04753	1.8
145.02858	39.8
145.03867	1.4
145.08430	2.3
145.10172	1.2
163.03915	98.7
163.07527	4.2
163.11171	5.5
163.14859	2.1
164.04312	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	163.0392
Annotation	3-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02382	0.8
53.03948	8.3
55.01881	0.9
55.05486	0.5
63.02371	0.8
65.03934	1.1
69.07062	0.9
71.02934	0.8
71.03275	0.5
71.71835	0.4
77.03939	2.5
79.05498	12.9
79.05955	0.7
81.03434	1.6
81.07065	1.6
89.03916	10.7
91.05486	100.0
92.02633	3.1
92.05830	1.4
93.07059	4.1
95.04971	9.8
95.05558	0.7
95.08588	0.7
103.05477	5.5
105.03401	4.1
105.04502	3.3
105.07056	1.1
107.04967	6.5
107.08606	7.2
115.05463	6.3
117.03386	7.4
117.07026	32.8
118.07384	0.5
119.08585	14.7
121.06526	1.8
121.10151	1.9
131.04945	5.7
132.08090	0.7
133.02856	22.3
135.04424	38.3
135.08020	3.0
135.11700	1.9
136.04706	0.7
136.07588	2.9
138.03114	0.9
145.02861	5.8
145.06512	4.5
145.10172	1.0
148.57556	0.4
159.14391	0.5
163.03914	89.9
163.07535	10.9
163.11191	2.8
163.14824	2.3
164.04254	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	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.89777	0.6
53.03949	2.4
63.02380	1.2
66.79292	0.6
69.24174	2.9
69.24593	3.9
77.03900	0.7
79.05492	9.5
89.03922	67.3
90.04259	1.5
91.05477	2.0
93.07088	0.9
95.04991	4.1
103.04970	0.6
103.05483	6.0
107.04966	14.9
107.08580	1.7
117.03386	55.4
118.03699	1.0
121.06509	0.9
131.04935	5.7
131.90324	0.6
133.02863	1.6
135.04422	100.0
136.04765	1.2
145.02855	38.9
145.03908	1.7
146.03165	0.8
163.03914	78.0
163.07571	2.4
163.11136	1.2
164.04225	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.07608	0.5
53.03946	2.0
55.01878	0.8
55.05511	7.2
67.05508	4.6
69.03426	0.7
69.07067	8.7
70.98499	0.7
70.98867	1.3
77.03925	0.8
79.05496	8.1
81.07060	22.9
83.08606	0.9
85.02876	0.7
87.63179	0.5
91.05486	19.7
93.07049	11.9
95.04983	1.6
95.08616	2.5
100.93977	0.5
103.05462	5.0
105.07034	100.0
106.07365	1.8
107.08619	3.1
115.05478	2.9
115.09513	1.7
117.07022	6.2
118.04134	1.2
119.08585	96.3
120.08886	1.4
121.06473	0.7
121.10118	1.1
128.06227	1.7
131.04909	1.1
131.08575	5.7
132.09344	1.4
133.06531	3.7
133.10138	33.2
134.10538	0.6
143.08565	1.6
145.10121	1.2
146.03604	1.2
146.07301	1.5
146.10922	1.9
159.11766	3.0
161.05983	5.8
161.09634	9.7
161.13261	70.3
162.13576	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	162.0762
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
53.03944	0.4
55.01873	1.0
55.05508	2.1
56.05040	19.0
56.96571	1.1
57.03438	1.4
57.07080	1.5
58.06609	0.8
59.07370	0.4
60.04539	0.4
60.08169	11.3
61.02930	0.9
63.99123	0.3
64.54678	0.3
67.05508	4.2
69.03438	1.5
70.06597	16.7
71.04996	1.4
71.58624	0.5
72.04524	0.5
73.02924	1.4
73.06563	1.6
74.06088	1.8
79.05502	0.7
79.71304	0.3
81.03414	0.3
81.07056	0.3
81.71522	0.3
84.04510	100.0
84.08163	1.9
85.02912	4.3
85.04832	0.8
85.06548	14.0
86.06049	0.4
90.05566	1.2
90.35242	0.3
95.01341	0.7
95.04993	0.7
97.02902	1.0
98.06065	3.8
98.97605	1.1
99.04465	1.5
100.23708	0.3
101.00930	0.5
102.00979	0.6
102.02370	0.5
102.05545	2.8
102.09187	3.9
102.96862	0.4
103.03983	2.0
107.05022	0.4
109.82841	0.3
111.02890	0.3
112.08752	1.2
113.02384	0.5
116.07101	34.2
116.10770	0.5
116.98651	0.7
118.06594	0.3
119.01901	1.4
120.02007	2.0
120.04440	0.3
120.06604	1.1
120.97913	0.3
121.01697	0.8
121.06506	0.3
125.63574	0.3
127.03963	0.8
130.05016	13.7
130.09775	0.6
131.01944	1.0
133.02814	0.7
135.04462	1.6
137.02975	0.4
138.03104	0.6
143.01903	0.6
144.02020	0.4
144.06567	1.1
144.11394	1.1
144.13847	31.8
145.04968	4.6
155.01837	0.5
157.03488	2.7
161.03004	0.6
162.03198	0.5
162.05565	1.5
162.07635	3.5
162.09097	0.8
162.11281	5.3
162.14909	31.5
163.03909	4.1
173.02974	0.5
175.04582	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	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.01876	0.7
55.05513	6.5
55.38546	0.7
67.05516	2.3
69.07072	9.8
70.06593	1.1
70.95418	1.7
71.06931	1.3
79.05499	4.0
81.07061	6.8
91.05490	16.8
93.07063	5.5
95.08625	0.9
96.08128	0.9
97.08473	2.6
103.05457	3.0
105.07039	79.1
106.07375	1.4
107.08598	2.8
114.09185	2.3
115.05489	1.3
115.09523	11.6
117.07042	5.5
118.04156	0.9
119.08591	100.0
120.08877	1.2
121.10188	1.0
128.06210	1.2
129.06941	0.7
131.08551	5.3
132.09341	1.2
133.06461	2.2
133.10139	32.1
143.09058	3.5
145.10133	1.9
146.07281	1.1
146.10898	2.9
159.11682	3.0
161.05949	1.8
161.07184	0.9
161.09694	11.6
161.13268	92.4
162.09064	1.3
162.13602	3.2
165.30354	0.7
184.24521	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.66106	0.2
53.03949	0.6
55.05514	6.1
57.19953	0.2
67.05513	0.6
69.07076	2.2
69.77692	1.3
79.05495	1.9
81.07085	1.1
83.08566	0.3
91.05487	9.4
93.07052	1.5
95.04987	0.5
98.21459	0.3
103.05468	1.1
103.32786	0.2
104.06229	0.7
105.07037	16.8
107.04958	0.4
107.08604	1.4
115.05454	1.1
115.09546	0.4
117.07024	3.6
118.04219	0.2
118.07745	0.4
119.08588	100.0
120.08887	2.0
121.10166	2.7
128.06226	0.6
131.08572	2.6
133.06482	0.7
133.10136	17.9
143.08578	0.8
146.07260	0.4
146.10933	0.8
159.11700	0.8
161.05989	0.5
161.09648	4.1
161.13263	18.8
162.13591	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02373	0.6
53.03947	3.3
55.01880	4.8
66.04716	1.4
71.03697	1.1
77.03947	0.8
77.47868	0.5
79.05499	19.7
84.08160	0.6
89.03925	1.0
90.04714	4.1
91.05492	3.8
92.02623	0.8
94.83568	0.5
95.04984	3.7
102.04733	0.7
103.05479	24.5
104.25525	0.5
105.07040	100.0
106.07368	1.5
107.04965	0.9
115.05470	29.0
116.05794	0.5
116.43599	0.5
117.01135	0.5
118.04173	20.4
119.06910	0.7
119.08612	1.5
121.13861	0.5
130.04074	0.5
131.04939	5.7
132.05702	0.7
133.06505	49.1
133.10088	1.1
134.06848	1.0
143.04980	0.9
143.06017	4.9
143.08614	0.5
151.08316	0.5
161.05992	9.5
161.09674	1.9
161.13353	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	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01855	0.8
55.05505	1.5
61.99472	0.3
65.98347	0.3
67.05502	0.8
69.03418	2.2
69.07063	1.3
69.93559	0.7
69.93947	0.8
71.06910	0.4
78.93141	0.9
79.05504	1.7
81.07056	1.3
82.11823	0.3
90.46998	0.3
91.04960	0.5
91.05492	7.6
93.07054	2.6
97.08470	2.0
103.05478	1.2
105.03423	0.7
105.07040	30.2
106.06532	0.4
107.04932	1.0
107.08588	0.9
114.09163	0.9
115.05459	2.1
115.09509	5.0
117.07008	2.0
118.07837	0.8
119.04922	0.4
119.08591	21.6
119.95778	0.5
120.08953	0.4
121.06526	4.9
128.06227	4.7
131.04941	3.4
131.08582	4.4
132.05719	1.0
133.06535	2.6
133.10143	28.1
134.10455	0.9
143.08560	5.5
145.06477	2.5
145.10097	0.4
146.07283	30.2
147.07620	0.8
159.08125	0.7
159.11769	0.4
161.06087	2.2
161.09633	100.0
161.13269	16.2
162.05507	0.8
162.10059	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	161.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41602	1.6
55.01862	2.9
55.05489	2.6
56.96571	26.9
57.03444	3.4
57.07063	2.2
58.96151	2.6
59.93099	1.6
60.95844	2.7
61.02933	2.5
65.03956	1.8
65.60507	1.7
67.05502	5.7
69.03425	8.4
70.06570	1.7
71.51691	2.5
71.95261	3.3
72.08166	2.1
73.02901	3.3
77.18389	1.7
79.05482	2.5
81.03411	1.8
82.99837	2.0
83.06171	1.8
84.08152	3.1
85.02913	6.0
85.06559	1.9
91.05496	3.8
97.02352	2.0
97.02895	7.2
97.08463	3.5
98.01327	2.1
98.97594	36.3
100.97183	5.9
100.97999	2.3
101.00890	18.9
101.95041	58.7
102.96859	5.8
105.07042	15.1
112.07637	2.8
113.02406	3.1
114.09192	1.7
115.09509	5.1
116.98620	16.9
117.07061	2.6
118.98238	3.5
118.99039	2.8
119.01925	100.0
119.08604	5.7
119.96078	24.0
119.96867	3.0
120.02026	4.9
120.97898	5.2
127.03903	2.0
128.98604	2.6
131.01923	2.7
133.03415	1.7
133.06490	4.2
133.10112	3.4
134.99670	6.1
136.99265	2.1
137.02986	31.0
137.97119	13.8
138.98914	2.5
142.03450	2.3
143.01944	2.0
146.55139	1.8
147.13850	1.7
149.95450	2.0
155.98178	2.3
158.99664	5.3
159.03398	3.2
161.02869	3.2
161.04770	3.1
161.05977	4.3
161.09703	9.1
161.13266	4.4
177.00795	4.7
177.04326	3.9
179.03983	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	160.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01874	1.3
55.05516	40.1
56.96563	8.1
57.03428	2.5
57.04570	4.9
58.06592	1.4
59.05005	10.2
60.08167	57.0
61.02919	1.3
62.93850	0.7
64.94856	0.8
69.03438	4.1
70.06580	4.7
70.22385	0.7
71.05012	1.0
71.06106	1.3
71.58775	0.7
71.95263	0.8
72.08144	3.7
73.02911	3.7
73.06547	1.3
73.08528	0.8
74.06080	1.3
74.07188	1.4
79.05507	0.9
81.03397	1.6
82.06567	1.0
82.99811	1.1
83.04984	20.8
84.04500	2.1
84.08143	1.2
85.02898	3.4
86.06056	6.6
87.04479	8.5
88.08723	0.8
90.09178	1.2
96.08103	1.0
97.02875	4.8
97.52106	1.0
98.97594	14.8
99.97934	4.3
100.07575	1.9
100.97191	1.1
100.98017	1.4
101.00898	9.4
101.06023	74.9
103.02432	1.6
104.07110	3.0
106.41729	0.7
107.05799	0.9
109.02872	0.8
110.97562	1.4
114.09164	5.5
116.98629	10.9
117.98964	3.3
118.98238	1.1
119.01926	31.8
120.02036	1.2
121.01633	1.0
125.07109	2.0
128.98615	1.3
129.33261	0.9
131.01927	1.4
132.03267	0.7
133.03461	3.9
134.03525	1.0
134.24710	0.8
134.99689	4.3
136.00037	1.4
137.02954	8.5
141.04044	0.8
142.03542	5.5
142.08626	2.8
143.01892	3.6
145.03427	1.5
146.99759	0.9
151.04538	1.8
158.01357	1.4
160.04623	3.2
160.09669	4.2
160.10835	9.4
160.13336	100.0
161.02969	4.6
161.13704	2.4
172.42752	0.8
175.04544	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	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.2
70.32364	0.3
70.32764	0.5
82.99836	1.4
98.20813	0.2
98.97604	0.6
100.97208	0.2
101.00889	26.5
101.95032	0.3
101.97216	0.2
102.00961	1.4
102.96893	0.4
108.38040	0.2
116.98646	0.6
118.03551	0.2
119.01931	100.0
120.02020	3.8
120.71873	0.1
120.97908	0.3
121.01610	0.2
121.02412	0.4
124.02486	0.2
124.97572	0.2
133.03456	0.8
133.98041	0.4
134.99702	0.3
136.48378	0.3
137.02971	26.5
138.03059	0.9
139.03351	0.2
142.03500	2.0
143.03616	1.2
144.03302	0.2
145.48874	0.5
151.04561	0.2
157.03429	0.2
160.04572	0.4
161.02974	3.3
161.04309	0.3
179.04037	4.7
179.05534	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	160.1334
Annotation	Ethyl leucinate
Peak:m/z	Relative Intensity
55.01870	1.0
55.05513	27.0
55.14637	0.6
56.05035	0.8
56.96571	4.2
57.03439	1.5
57.04550	0.7
58.06599	1.2
59.05000	6.4
59.93110	0.8
60.08166	34.0
66.32308	0.6
67.05526	0.6
68.05019	1.7
69.03429	2.0
69.07054	0.9
70.06594	15.5
70.27415	2.2
70.27754	0.7
71.04967	0.9
73.02900	1.7
74.06088	0.9
79.05486	2.3
81.03414	0.8
81.05810	1.5
82.06575	2.0
83.00817	0.6
83.04989	14.3
84.04524	2.0
84.08134	0.6
85.02912	2.1
85.52373	0.6
86.06068	2.5
86.09690	1.5
87.04480	4.4
88.03995	1.5
94.06561	2.3
96.08136	31.3
97.02869	1.4
97.52099	0.8
98.01274	0.7
98.97600	4.1
99.97924	0.6
100.07626	1.8
100.97931	0.6
101.00882	2.3
101.06025	45.4
101.29019	0.6
104.07064	1.0
105.07045	1.6
113.02369	0.7
114.03754	1.1
114.05552	1.6
114.09174	100.0
115.09507	1.6
116.98627	1.5
118.06585	0.9
118.96767	1.5
119.01912	7.9
128.98663	0.9
133.03462	1.0
137.02982	2.0
142.03520	1.0
142.08641	24.1
142.13644	0.6
146.99666	0.7
154.96471	0.9
160.04494	0.9
160.09706	47.2
160.10733	2.3
160.13332	54.9
161.02989	1.3
161.09915	1.3
161.13632	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	160.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.92649	0.2
60.28434	0.2
65.03946	0.6
67.09155	0.2
68.05045	0.3
69.07067	0.2
70.06587	1.7
71.00258	0.4
76.93401	0.2
79.05488	0.5
81.03437	0.3
81.05730	0.2
90.03444	0.6
91.05468	1.7
92.05013	2.4
94.06571	0.2
95.95238	0.2
96.08134	3.7
103.05469	0.4
105.04527	2.6
105.07038	2.4
114.09171	12.1
115.05457	2.0
115.09483	0.2
117.04491	0.2
117.05771	5.5
117.07032	0.8
118.06548	39.8
118.96763	1.4
119.06883	0.8
119.08595	0.4
130.06520	5.6
131.07324	3.7
131.08263	0.4
132.05583	14.8
132.08093	15.1
133.06490	0.5
133.08496	0.3
133.10161	0.5
135.05542	2.2
141.34262	0.2
142.06508	0.5
142.08635	2.7
143.08661	0.2
145.06479	0.4
145.10153	2.5
154.96539	0.3
160.05070	100.0
160.07446	9.1
160.09636	6.1
160.11803	1.0
161.05418	1.9
161.09648	0.6
161.13246	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	160.0759
Annotation	2721-59-7
Peak:m/z	Relative Intensity
51.43508	0.3
63.02365	0.4
64.01591	0.3
65.03983	0.3
70.06596	2.0
70.72318	0.4
70.72653	0.9
79.05511	1.1
91.05493	3.1
92.05817	0.4
96.08138	4.7
103.05476	1.0
105.07032	6.2
114.09180	16.6
115.05455	3.7
115.09526	0.3
117.05769	17.3
118.04176	1.1
118.06553	59.1
119.06870	0.9
119.08577	0.9
130.06537	9.3
130.07497	0.7
131.04936	1.3
131.07341	5.6
131.08328	0.5
132.05701	1.4
132.07333	1.2
132.08096	27.8
132.08847	1.2
133.06528	1.9
133.08475	0.5
133.10165	0.7
142.06473	0.6
142.08626	4.5
143.08565	0.6
144.04457	26.4
145.05238	41.8
145.09753	0.5
146.03679	2.0
146.05580	0.8
146.07268	0.3
160.05240	4.7
160.07587	100.0
160.09523	10.0
160.11903	2.7
161.05954	1.1
161.07936	1.9
161.09639	0.9
161.13252	0.9
174.55376	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
67.05511	2.0
67.52426	0.4
70.06618	2.7
70.99246	0.8
70.99591	0.4
76.02224	0.5
76.93369	5.2
79.05490	0.9
91.05489	8.7
94.94422	1.8
95.25378	0.4
96.08134	6.7
103.05434	0.9
105.07041	14.5
110.51685	0.4
113.02369	2.0
114.09181	16.6
115.05453	2.9
116.06229	1.5
117.01898	0.5
117.07028	18.4
117.95997	5.2
118.06563	3.9
118.07339	0.7
119.08587	12.2
128.06245	1.9
129.07016	16.1
130.06483	0.5
130.07808	5.2
131.04930	0.9
131.06927	1.5
131.08582	29.1
132.08072	1.9
132.08948	0.6
135.97040	2.8
141.01845	4.7
141.06943	0.8
142.07742	1.8
142.08662	4.5
143.08572	1.9
144.05728	1.2
144.09361	31.6
145.09879	1.0
145.20795	0.4
148.97652	0.4
157.10097	3.8
159.08118	6.9
159.11705	100.0
160.07607	0.6
160.09731	9.1
160.11955	2.9
168.05388	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.56898	0.7
53.03928	0.6
55.01873	0.8
59.93094	1.1
67.05520	3.1
68.05032	0.9
69.49262	4.6
70.06604	4.8
71.04993	0.7
71.06938	0.7
72.04556	0.7
76.92944	1.2
76.93375	13.2
79.05495	1.8
81.03387	0.6
81.07066	0.8
85.02908	1.5
91.04961	0.9
91.05488	11.8
94.94398	4.6
95.04983	1.0
95.68079	0.5
96.07543	1.0
96.08139	13.4
102.09193	0.9
103.05464	1.6
103.09504	0.8
105.06377	1.1
105.07043	15.6
112.95442	0.9
113.02366	3.9
113.07963	0.6
114.09178	33.3
115.05437	3.3
116.06277	3.1
117.01831	1.3
117.05742	1.5
117.07025	19.5
117.95994	11.6
118.06554	9.5
118.96789	1.4
119.08589	9.8
123.67558	0.6
128.06227	1.4
129.07021	16.0
130.06557	1.6
130.07780	5.8
131.04959	1.3
131.06885	4.4
131.08580	40.0
132.08075	3.3
132.08957	1.1
135.97028	6.5
141.01849	11.4
141.07008	1.8
142.07726	1.2
142.08643	8.4
143.08549	1.9
144.05721	2.9
144.09367	26.2
145.06532	0.8
145.09749	1.0
157.10150	4.0
158.98590	1.5
159.04442	0.9
159.08084	19.6
159.11703	100.0
159.15782	1.5
160.05136	0.7
160.07649	1.1
160.08519	1.1
160.09718	15.6
160.11920	3.3
179.87692	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	159.029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
61.02925	2.5
63.08017	0.9
67.05506	1.5
68.99805	5.6
69.03413	1.1
70.06581	1.7
70.88174	1.5
71.01354	2.8
73.02915	1.3
76.93365	1.6
81.07064	0.9
85.02911	1.9
87.00836	100.0
91.03946	1.3
91.05495	9.9
95.04996	1.0
96.08130	2.8
103.05473	3.2
105.01894	4.9
105.07039	9.8
113.02396	1.0
114.09158	7.7
115.03965	1.4
115.05481	3.6
116.06231	2.5
117.01865	87.6
117.05795	4.6
117.07021	9.9
117.95980	3.1
118.02184	1.2
118.06553	34.9
119.08598	5.7
128.06224	1.5
129.01839	1.2
129.07028	8.0
130.06535	6.4
130.07767	2.8
131.04939	3.9
131.06848	15.3
131.08549	21.1
132.08104	11.1
135.02916	1.8
141.01826	3.7
141.07005	1.2
142.08690	1.9
144.05717	12.7
144.09367	11.9
145.06432	1.4
157.10136	2.6
159.02902	11.1
159.04283	1.5
159.06586	1.9
159.08067	14.0
159.11708	50.4
160.05150	2.0
160.07628	5.6
160.09697	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	159.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79099	0.4
53.03957	0.7
55.05521	0.7
56.96570	1.0
57.03439	28.8
57.07078	61.5
59.05017	0.9
60.43969	0.4
61.02937	3.2
65.03947	0.5
67.05495	2.4
70.06607	1.7
71.04991	0.5
71.58031	0.7
76.93379	4.2
79.05519	0.9
81.03439	1.2
81.07081	1.3
85.02912	1.6
85.06547	27.5
87.00853	0.9
87.04462	1.4
91.05488	8.0
94.94410	0.7
95.08618	1.6
96.08128	3.9
98.97582	4.1
99.04439	0.7
103.05473	1.5
103.07587	16.1
105.07033	17.2
113.02385	1.4
114.09174	10.8
115.05468	3.8
116.06243	1.7
116.98641	2.8
117.01851	1.0
117.05815	2.9
117.07024	19.6
117.95976	3.6
118.06544	16.9
118.96743	0.6
119.08585	18.9
123.08038	0.8
125.35739	0.5
128.06227	1.9
129.07008	17.1
130.06552	3.0
130.07794	4.5
131.04871	1.2
131.06937	3.1
131.08574	24.3
131.39188	0.4
132.05510	1.2
132.07175	0.7
132.08096	8.8
132.08984	0.5
134.99693	1.1
135.97034	1.0
141.01826	2.9
141.06979	1.5
142.06616	0.9
142.07733	1.7
142.08701	3.0
143.08604	1.7
144.05663	1.3
144.09351	38.3
145.09706	1.1
155.47334	0.5
157.10147	3.5
159.04350	0.7
159.08058	5.6
159.10214	13.9
159.11681	100.0
160.05090	7.9
160.07588	4.8
160.09673	6.6
160.11870	2.3
178.32495	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	158.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19490	0.2
53.03949	0.3
53.12376	0.2
54.98658	0.3
55.01859	0.3
55.05512	0.7
55.78085	0.2
56.96570	28.3
57.03443	0.7
57.97351	0.3
58.95430	0.3
60.08160	0.9
61.02930	0.4
69.03432	0.8
70.06595	0.7
70.98101	0.3
71.04991	1.0
71.06937	0.3
71.57645	0.4
71.95270	5.1
72.05344	0.6
72.08147	0.8
72.96033	0.2
73.02925	1.2
76.92874	0.5
81.01908	0.3
81.03411	0.6
83.04964	0.3
84.91192	0.9
84.96032	0.9
85.02905	0.9
86.06043	0.3
87.04441	0.4
87.21568	0.2
88.07642	0.3
88.08755	0.3
90.01545	0.2
97.02899	1.3
98.97590	100.0
99.97919	1.9
101.00872	0.9
101.06033	0.8
102.02423	0.4
103.02422	0.4
105.76472	0.2
108.02414	0.5
111.02940	0.4
113.00927	0.4
114.09151	1.3
115.00671	0.2
115.02457	0.4
115.90875	0.3
116.98627	74.4
117.99009	2.3
118.22876	0.2
119.01908	1.9
120.02040	0.3
121.01643	0.3
121.03506	0.2
131.00172	1.0
131.01891	0.7
133.03473	0.7
134.99667	38.7
136.00079	1.1
137.02910	0.5
139.40144	0.3
140.00208	2.3
140.98596	0.3
142.03409	0.3
143.01956	0.3
145.03516	0.4
149.01245	0.8
151.04591	0.3
153.00722	4.3
155.01863	0.4
157.03445	0.4
158.01259	1.6
158.99634	0.8
159.08466	0.4
159.13239	0.8
159.15915	0.3
160.09657	0.6
160.13347	1.2
161.02945	0.6
173.03008	0.6
175.04536	0.4
177.00719	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	158.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	14.2
57.93562	0.5
58.06595	1.1
69.03436	0.5
70.06598	2.9
70.23668	1.2
70.98151	0.3
71.05000	2.9
71.06120	1.5
71.95280	3.1
84.96064	0.4
88.07622	0.3
88.08762	1.0
95.35313	0.3
97.02920	0.3
98.09708	2.5
98.20856	0.4
98.97594	100.0
107.47300	0.4
116.97251	2.5
116.98634	59.0
117.03995	0.4
117.98944	0.3
128.98495	0.3
130.06503	0.3
131.00159	0.3
134.99677	22.1
140.00195	1.2
152.96883	0.8
153.00720	2.1
158.01259	1.1
158.11746	0.8
158.12907	3.3
158.15417	1.2
158.99699	1.1
177.00671	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	158.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
57.07057	0.2
67.05502	0.2
70.06596	1.7
70.93933	0.4
76.93375	0.3
77.03922	0.2
84.04485	0.2
84.08157	0.2
87.00838	0.5
88.52609	0.1
91.05482	0.3
94.85461	0.2
95.04961	0.3
98.97606	0.6
102.09173	0.2
103.05473	4.3
105.07014	0.3
112.07619	1.1
115.05468	0.3
116.06312	0.2
116.07076	0.3
116.97226	0.4
116.98644	0.4
117.01855	0.3
117.03374	0.2
117.07061	0.3
117.96017	0.2
128.05000	0.4
128.06189	0.2
129.07007	0.2
130.06537	100.0
131.04945	0.5
131.06873	2.2
131.08444	0.7
134.99660	0.3
135.96957	0.1
141.01817	0.2
143.07289	0.6
143.08450	0.5
144.09360	0.3
146.06020	0.3
152.96884	0.2
158.06032	7.2
158.07130	0.3
158.09598	3.3
158.15459	0.5
159.08102	0.6
159.11739	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	158.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.1
53.03942	0.4
57.48288	0.1
63.02373	0.2
63.24967	0.1
67.05518	0.2
70.06599	1.7
71.47884	0.2
76.93365	0.2
77.03937	0.2
84.08133	0.3
87.00821	0.3
89.03923	2.6
91.05481	1.6
95.04966	0.3
98.06055	0.2
98.97587	0.3
102.04693	0.2
102.09209	0.2
103.05475	4.3
105.07053	0.3
112.07612	0.9
115.05473	0.3
116.06266	0.4
116.97283	0.1
116.98529	0.2
117.01830	0.3
117.03390	1.7
117.07037	0.8
117.96014	0.2
118.45264	0.1
128.04987	0.6
128.06236	0.2
129.05771	0.1
129.07005	0.9
130.06537	100.0
131.04926	0.5
131.06921	2.2
131.08557	3.6
135.04379	0.2
140.07089	0.1
140.75430	0.2
141.01811	0.2
141.06996	0.5
143.08633	1.1
144.05705	0.5
144.09402	0.2
146.06049	0.5
150.33960	0.1
158.06027	8.6
158.07150	0.4
158.08246	0.2
158.09674	1.9
158.10728	0.3
158.15382	0.6
159.08078	1.7
159.11703	1.3
168.39272	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	156.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.8
58.97033	1.5
69.96307	6.6
73.02902	2.1
74.09730	21.6
75.01070	1.6
80.82872	1.4
83.06089	2.2
84.01579	3.1
96.96938	1.8
98.21461	2.2
103.02456	2.7
105.02056	2.3
110.07175	20.4
111.02087	4.1
112.05271	5.0
119.01956	2.5
120.01991	2.4
130.06319	18.1
131.00198	3.1
131.01900	2.3
131.71547	1.7
132.02010	10.2
133.01654	3.8
133.03471	7.3
149.01183	4.7
151.04524	2.8
156.04231	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	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49127	0.4
54.98650	0.6
55.05515	0.9
56.96568	11.9
57.03396	0.4
57.93581	0.5
70.06593	3.2
71.04992	5.2
71.06120	3.1
71.49200	0.7
71.95263	3.0
75.94590	0.4
88.07623	0.9
88.08764	1.5
98.09702	1.4
98.97588	100.0
99.97919	0.5
116.29787	0.4
116.97250	3.0
116.98624	59.2
131.00174	0.4
134.99664	21.7
140.00185	1.8
143.01918	1.2
152.96912	0.5
153.00668	2.3
158.01244	1.6
158.11742	0.7
158.12895	6.8
158.15416	1.1
161.02980	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	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98634	0.4
56.96284	0.6
56.96572	11.7
59.67875	0.2
63.98410	0.3
69.34940	2.3
71.95271	3.0
74.67361	0.3
98.21517	0.5
98.97593	100.0
99.97913	0.6
100.02487	0.2
116.98631	60.0
117.99015	0.4
119.36220	0.3
131.00183	0.3
134.99672	21.8
136.00081	0.4
140.00186	1.9
147.23169	0.3
153.00732	2.2
158.01241	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	156.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15976	0.6
53.03940	1.2
54.38156	0.6
55.01864	2.5
55.05489	1.0
55.93499	0.7
56.05029	1.8
56.96565	27.7
57.03432	4.2
58.06590	2.9
58.99860	1.1
60.95871	0.9
61.02924	4.4
66.00506	1.2
66.14754	0.6
67.05518	0.7
68.05032	1.2
69.03432	5.6
69.56020	0.7
69.71606	3.8
70.06584	2.9
70.95860	4.7
70.98101	1.2
70.99814	0.7
71.04990	1.5
72.93795	4.1
73.02925	5.9
74.00276	0.6
74.06090	0.9
74.09712	3.3
74.93854	0.7
74.97611	1.5
75.01041	4.5
75.04470	0.8
77.00836	1.2
79.95267	0.6
81.03410	2.0
81.04539	1.1
82.01425	0.8
82.05318	2.1
82.06576	1.1
83.00798	4.9
83.04977	1.6
83.06108	10.7
84.01566	22.4
84.08144	0.9
84.51743	0.9
85.01378	1.1
85.02905	7.2
86.06062	2.0
86.97569	0.8
87.04464	0.8
87.06363	0.6
88.96923	1.1
89.00796	2.2
90.01550	2.2
90.94878	1.0
91.02395	2.5
92.01315	3.1
93.02084	9.9
93.04539	6.2
94.51518	0.7
95.00739	0.9
95.06102	6.5
95.52348	0.9
96.01526	4.0
96.04489	1.0
97.02344	0.9
97.02900	6.6
98.01310	2.4
98.06042	1.0
98.09698	2.1
98.97593	6.6
99.01466	0.6
99.02090	1.8
99.04459	1.4
100.02483	1.6
100.99153	1.8
101.00881	10.0
101.52310	0.7
102.01555	2.6
103.00571	0.8
103.02399	5.9
104.01276	2.0
105.02076	10.5
107.01829	0.7
109.02891	1.5
109.03532	0.8
110.01279	2.0
110.07169	100.0
110.97540	1.0
111.02063	12.1
111.04449	2.0
111.05579	0.8
111.98495	1.9
112.02869	1.4
112.07639	0.9
112.99123	2.1
113.01792	1.1
114.01060	0.8
114.05527	1.1
114.96825	0.8
115.00640	0.8
115.02441	2.2
115.03902	0.9
115.08663	0.7
116.52934	0.7
116.98613	2.6
117.02052	3.6
118.02838	2.1
118.03551	1.5
119.01913	36.7
120.01933	1.9
120.02721	3.9
121.03500	2.6
124.02454	1.2
126.02596	2.3
127.03938	1.2
128.02376	0.9
128.07135	1.5
128.08153	1.2
128.98589	1.3
130.06337	3.3
130.52612	0.8
131.00172	12.2
131.01924	2.2
131.53395	0.7
132.00479	0.9
132.01981	7.7
132.95837	6.4
132.97987	1.1
133.01709	4.3
133.03474	13.0
137.02940	8.1
138.05521	1.6
138.09102	1.0
139.03914	0.8
139.09511	1.2
142.03503	14.3
143.03622	1.1
146.99657	1.4
149.01222	29.2
149.03035	1.2
150.01672	1.4
150.03084	1.9
150.96895	9.3
150.98956	0.6
151.02716	1.2
151.04530	4.8
156.03047	1.1
156.04202	14.6
156.06511	1.5
156.07671	7.8
156.10188	5.8
156.13873	0.8
160.04578	3.4
167.02264	8.9
174.03212	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	155.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01880	1.5
55.05516	6.2
55.93535	2.1
57.03445	2.7
57.07079	100.0
58.07420	1.1
59.05011	0.7
60.99910	0.4
61.81778	0.5
65.03948	1.3
67.05508	11.3
69.03442	3.1
69.07073	3.7
69.96188	0.9
70.06599	0.7
70.94257	0.4
70.95868	18.4
71.05000	4.3
71.08642	0.7
71.57820	0.8
71.94109	0.5
72.93793	83.3
73.02937	0.8
79.05492	2.0
80.81306	0.5
81.03425	1.8
81.07063	9.9
82.06580	1.1
83.04980	7.4
83.08614	0.7
84.04480	0.6
84.05309	0.7
85.02917	0.9
85.06548	15.2
86.06083	0.5
86.09731	0.5
88.96912	5.7
89.02448	0.4
90.94830	24.2
91.05473	1.3
93.07049	1.7
95.04982	8.5
95.08614	8.9
97.02885	0.5
97.06522	1.1
98.98474	2.3
99.04469	5.2
99.08106	0.8
102.70146	0.5
108.95872	3.4
109.02869	2.0
109.06539	6.0
109.10160	7.6
110.06116	0.5
110.07138	1.0
111.03223	0.5
111.04440	5.1
111.08077	1.8
111.98492	6.5
112.01604	1.0
112.03503	1.0
113.02405	0.9
113.06023	6.3
113.96407	38.4
115.05437	0.6
123.04419	2.3
125.02348	0.6
126.05489	0.5
127.03931	3.5
127.05853	1.9
127.07562	2.9
128.06161	0.6
128.07050	1.1
129.05519	0.8
129.06979	0.9
129.99529	2.8
131.96190	1.8
131.97447	26.0
132.94835	1.1
132.95845	20.8
137.02356	1.4
137.05969	3.2
137.09612	3.6
137.13225	0.9
138.05432	0.9
138.09149	0.7
140.04672	1.4
141.06985	6.2
145.99025	0.6
149.97165	2.7
150.96896	35.3
153.06970	1.3
154.07767	0.7
154.99033	1.9
155.03477	2.7
155.05318	1.1
155.05626	0.7
155.07014	12.4
155.08653	10.4
155.10660	2.3
155.11714	0.7
155.14331	5.3
155.97429	1.8
156.06537	1.1
156.09247	3.9
168.97914	1.8
173.98509	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	155.1431
Annotation	trans-p-Menth-8-en-7-ol
Peak:m/z	Relative Intensity
53.03951	1.4
55.01873	0.9
55.05515	25.5
55.93524	1.0
57.03426	1.7
57.07077	8.8
59.05000	3.4
60.81525	0.7
67.05515	7.5
67.36607	0.7
69.03439	1.3
69.07068	10.7
70.72153	0.8
70.72471	1.7
70.95872	5.1
71.04996	6.5
71.08622	1.1
72.93793	100.0
73.06573	1.4
79.05475	2.1
81.03393	1.0
81.07062	23.5
83.04988	4.2
83.08630	12.0
85.06554	10.9
88.96918	1.5
90.94833	21.3
93.07056	1.6
93.26820	0.8
95.04974	3.2
95.08613	31.2
97.10174	5.7
98.98467	2.4
99.04453	1.5
99.08093	2.3
108.95874	2.9
109.06504	1.1
109.10171	4.8
111.04453	2.0
111.98495	2.1
113.06016	3.2
113.96410	53.0
115.05446	1.1
127.03951	1.2
127.07559	1.1
129.07069	1.0
130.85938	0.9
131.97452	28.4
132.95842	5.1
137.13258	13.4
141.06987	1.0
142.69064	0.8
149.97241	1.3
149.98526	0.9
150.96910	9.4
153.06985	4.9
154.07742	1.0
154.99039	2.6
155.03423	1.7
155.07074	7.5
155.08580	16.6
155.14288	4.2
156.09180	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	155.1068
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
51.43960	0.9
53.03946	1.6
55.01859	1.7
55.05515	19.2
55.78868	1.1
55.93536	1.1
56.94315	1.1
57.03437	2.4
57.07081	43.9
59.05008	5.2
65.03952	1.3
67.05510	34.9
69.03439	8.5
69.07069	2.9
70.95876	11.1
71.01348	2.5
71.04996	73.6
71.58974	1.2
72.93793	100.0
75.06733	1.2
79.05488	4.3
81.07056	20.3
83.04996	6.5
83.08585	1.5
85.06544	10.2
86.09702	1.3
87.77187	1.0
88.96879	1.6
90.94271	1.6
90.94830	23.3
91.05511	4.9
91.78993	1.1
93.07051	10.0
95.04971	13.4
95.08613	73.5
96.08237	0.9
96.08923	1.8
97.06526	2.4
98.98470	2.5
99.04462	62.0
99.08098	1.5
101.06052	1.5
107.08558	1.4
108.95870	2.3
109.06554	6.6
109.10162	41.4
110.07193	1.1
111.04435	4.1
111.08082	6.2
111.98505	5.1
113.06012	11.8
113.09671	1.9
113.96409	49.8
114.96344	1.2
119.08591	2.1
122.07279	1.5
123.00817	1.0
123.04404	1.4
127.03914	3.0
127.05821	1.8
127.07565	2.2
131.96333	1.9
131.97440	27.3
132.95836	14.0
137.05978	2.7
137.09628	14.5
149.97227	1.3
150.96915	17.1
154.99034	2.6
155.03363	1.7
155.07024	12.5
155.08524	4.3
155.10632	7.8
155.14366	1.6
155.97406	1.2
173.98604	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	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01889	0.6
55.05514	5.0
55.93527	0.9
57.03439	1.0
57.07082	100.0
58.07415	0.7
65.03954	0.7
67.05511	7.0
69.03444	1.4
69.07077	1.6
69.43372	0.7
69.43960	3.1
69.44363	1.6
70.95873	4.8
71.05002	7.1
72.93796	39.4
79.05537	0.8
81.03423	0.9
81.07066	7.6
83.04991	2.9
85.06548	10.1
90.94836	9.3
91.05529	0.6
93.07076	1.1
95.04985	4.4
95.08621	10.7
95.09229	0.6
98.01779	0.5
98.98490	1.6
99.04471	5.2
103.05511	1.5
103.13326	0.5
108.95878	0.7
109.02944	0.8
109.06541	1.7
109.10157	7.2
111.04475	2.1
111.08110	1.4
111.98492	1.2
112.03632	0.5
113.06033	2.2
113.09687	0.6
113.96414	21.8
123.04392	0.7
127.03984	2.1
127.05482	1.7
127.07596	1.1
129.99548	0.6
131.97453	9.4
132.95869	5.0
137.02428	0.7
137.06038	0.8
137.09639	1.2
140.04758	0.9
141.95886	0.7
145.06523	3.7
150.96909	7.0
153.07077	1.1
154.07819	0.7
155.03519	1.5
155.04997	4.4
155.06082	2.9
155.07108	5.3
155.08623	4.2
155.10677	1.3
155.14273	4.4
156.06747	0.6
156.08183	1.0
162.53490	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	155.019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06456	0.4
55.01859	1.2
55.93529	0.4
56.96571	8.0
57.03431	1.9
58.99871	3.0
61.02922	1.4
68.05023	0.8
69.03424	1.3
69.96199	0.5
70.06599	2.2
70.87808	1.3
70.95868	0.8
70.99853	1.6
72.08155	1.6
72.93793	4.2
73.02928	3.1
74.09711	1.6
75.01051	0.5
77.00919	2.8
81.03408	1.1
82.01450	2.8
82.99848	1.4
83.00784	2.0
83.06103	1.8
84.01606	2.2
85.01413	1.2
85.02913	2.1
85.44017	0.5
86.06079	4.0
86.99326	0.6
89.00832	1.4
90.94830	1.2
92.01301	0.6
93.02116	1.1
93.04542	1.6
94.61017	0.4
94.99833	0.6
95.06106	2.5
96.01569	1.3
96.04499	4.1
96.06391	0.8
96.96928	0.7
97.02898	1.6
98.01335	0.8
98.97596	5.1
100.00188	0.5
100.01077	0.5
100.02494	13.8
101.00883	17.2
102.02406	0.7
103.02449	3.6
104.01298	1.0
105.00381	1.0
105.02081	1.1
108.03207	1.1
110.01280	0.9
110.07178	18.3
110.97545	1.0
111.02052	0.8
111.04482	0.7
113.00880	18.4
113.96420	2.1
114.00970	1.7
114.04024	1.5
115.02443	1.4
116.98643	2.2
118.01111	0.8
118.02779	0.6
118.03540	6.1
119.01929	55.1
120.02009	1.3
121.01614	0.9
121.03510	1.4
124.02489	1.1
127.02431	0.6
127.03932	0.7
128.98698	0.7
130.06328	1.8
131.01917	100.0
131.96236	0.7
131.97455	1.4
132.01950	7.4
132.05093	4.7
132.95856	1.1
133.01591	1.0
133.02501	0.6
133.03465	9.0
134.99689	0.6
137.02975	10.5
137.10741	1.3
138.09166	3.8
142.03517	11.7
145.03476	3.7
146.99718	0.6
147.04973	0.6
149.01221	3.4
149.02971	16.7
149.97238	1.1
150.03084	1.7
150.06111	1.7
150.96877	2.2
151.04538	1.9
154.03499	2.5
155.01915	9.6
155.03694	1.2
155.07001	0.6
155.08243	0.7
155.11748	0.9
155.13750	0.8
156.04193	5.4
156.07741	1.2
160.04539	3.3
163.04483	0.6
167.02299	0.8
172.04579	0.7
173.01529	0.6
173.02977	13.6
173.04500	0.8
174.03140	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	155.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
53.32460	0.6
53.50521	0.6
55.01862	1.4
56.96566	12.8
57.03423	2.8
58.99863	4.7
61.02914	1.1
67.05542	0.8
68.05029	0.9
69.03428	3.0
70.06600	3.3
70.95877	0.8
70.99864	1.6
71.01331	0.8
71.02216	1.5
71.05043	0.6
72.08153	2.1
72.93798	5.0
72.96054	0.6
73.02924	4.3
74.09714	1.1
75.01042	1.1
77.00902	2.1
81.03410	0.9
82.01464	3.6
82.01893	0.6
82.05300	0.8
82.99837	1.4
83.00783	2.7
83.06095	1.0
84.01571	4.4
85.01414	1.4
85.02908	2.7
86.06083	4.7
86.99347	0.8
88.02678	0.9
89.00867	1.3
90.94817	1.3
92.01304	0.9
93.02084	1.6
93.04531	1.3
94.99848	0.9
95.05016	0.9
95.06099	2.4
96.01572	1.6
96.04489	5.8
96.06393	0.9
97.02892	2.3
98.97592	7.1
100.02490	13.6
101.00890	16.6
103.02445	2.9
104.01286	2.3
105.00398	1.2
105.02065	0.7
110.01282	1.7
110.07175	17.4
110.97585	1.7
111.02066	2.3
113.00880	21.7
113.96407	2.5
114.00964	2.2
114.04035	1.4
115.02438	2.2
115.46890	0.7
116.20657	0.7
116.98637	2.6
117.02081	1.4
118.03518	5.4
119.01931	52.4
120.02043	1.2
121.01629	1.2
121.03512	1.4
123.04033	0.6
124.02496	1.3
127.03926	1.0
128.02237	1.1
128.98647	1.0
130.06323	1.7
131.00247	3.3
131.01921	100.0
131.96175	1.2
131.97397	1.4
132.01939	6.9
132.05049	3.0
132.95847	2.5
133.01682	1.6
133.03477	8.6
134.99683	0.8
137.02966	10.1
137.10759	1.6
138.09143	5.0
142.03508	10.0
145.03510	3.2
149.01233	6.3
149.02972	14.8
149.97234	1.6
150.03023	0.9
150.06152	1.5
150.96907	2.2
151.04532	2.6
154.03514	2.6
155.01918	9.7
155.03218	1.0
155.03638	1.0
155.11777	1.4
156.04202	6.1
156.07704	1.5
157.03481	0.7
158.99751	0.7
160.04596	2.7
167.02312	2.2
173.01433	1.0
173.02985	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.6
56.05011	0.5
56.71705	0.3
56.81024	0.3
57.07077	2.4
65.03941	0.4
67.05495	0.9
68.96350	0.6
69.03418	0.7
70.02949	0.5
70.06591	0.9
70.56752	0.9
70.94263	0.4
71.94098	0.4
72.93796	4.3
79.05497	2.6
80.05801	0.4
81.07067	7.7
82.06573	1.3
83.04991	0.7
83.07349	0.4
83.08620	0.9
85.06507	0.4
90.08279	0.3
90.94822	0.7
91.05491	0.6
93.05782	0.5
94.06602	0.4
95.04970	1.0
96.04500	0.8
96.05300	0.4
97.05275	3.3
98.06058	2.1
98.09682	1.6
108.08129	3.2
108.81385	0.3
109.06525	5.1
109.10154	0.3
110.06057	3.4
110.06806	0.6
111.03201	3.0
111.04431	0.4
111.06843	4.0
113.33290	0.3
113.96418	1.9
122.91127	0.3
124.07623	0.4
125.08389	0.8
126.05533	5.7
126.09171	3.6
130.96307	0.5
131.96402	0.3
131.97430	1.4
138.05489	0.6
139.06297	4.2
148.97362	0.8
152.07019	0.4
154.05133	3.9
154.08638	100.0
155.07088	0.4
155.08980	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	154.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45477	1.0
53.43074	1.0
55.01868	2.0
55.05511	1.6
57.35570	1.2
59.41394	1.1
65.03941	11.5
67.05501	3.6
68.05054	2.2
68.13503	1.0
68.99789	3.7
69.03407	1.8
69.95140	1.0
70.78931	2.4
71.94109	9.9
71.95258	1.5
72.93793	50.2
75.84135	1.0
79.25192	1.1
80.05049	1.4
81.03411	2.7
83.04993	6.9
87.04507	1.2
90.94824	14.7
93.03396	4.9
95.04971	2.5
98.98451	1.6
108.04501	1.5
108.95856	2.6
109.02877	1.2
109.10205	1.1
111.04449	51.1
112.04854	1.2
112.96712	4.2
113.96410	26.8
121.03997	3.9
123.04405	1.2
126.05520	3.2
126.09257	2.0
127.03914	1.2
130.97755	1.4
131.97443	16.2
136.07591	5.6
139.03909	100.0
140.04274	1.8
147.05878	1.0
154.05003	10.0
154.06259	26.1
154.08678	4.2
154.98997	1.8
155.03424	2.1
155.07024	3.2
155.08522	2.4
159.74214	1.1
167.43582	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03933	3.2
55.01873	1.8
55.05512	8.5
57.03453	3.8
57.07086	1.4
59.04988	2.4
62.99073	1.9
65.00637	1.0
65.03956	7.0
67.05171	1.0
67.05506	14.2
69.03423	4.8
69.07077	12.8
70.02938	0.9
70.12962	3.3
70.94269	5.5
70.95850	1.4
71.04979	1.9
71.94104	1.3
77.03967	1.1
79.05498	16.9
81.07062	18.4
83.04987	10.9
83.08629	3.9
84.96026	0.7
88.95298	0.9
91.05487	9.9
93.03441	5.4
93.07051	72.4
94.07403	1.0
95.04967	5.5
95.08614	62.6
97.06531	14.5
101.83509	0.8
105.07012	4.6
107.01634	1.8
107.04948	3.8
107.08601	100.0
108.08978	1.9
109.06498	3.6
109.10168	20.0
110.03656	1.4
111.03226	5.9
111.04450	11.9
111.08076	3.1
111.96873	2.6
125.02368	1.9
125.06000	7.3
126.05518	10.6
129.97913	0.9
135.08064	1.6
135.11702	39.2
138.03110	1.1
140.19147	0.7
148.97375	1.2
153.01825	1.5
153.05482	7.4
153.06662	1.4
153.09113	2.1
153.12744	22.1
154.05017	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.83171	0.7
53.03938	2.5
55.01878	1.7
55.05511	10.2
57.03428	3.3
57.07074	2.7
58.19740	0.7
59.05003	2.1
60.78965	0.7
62.75665	0.7
62.99069	0.8
65.03944	18.5
67.05511	17.0
69.03432	2.9
69.06712	1.1
69.07075	13.5
69.28309	7.2
70.02946	1.3
70.94267	8.8
70.95874	2.1
71.04993	3.2
71.94105	0.7
79.05497	18.7
80.05838	0.9
81.03405	1.3
81.07063	14.5
82.06576	0.8
83.04987	14.9
83.08620	2.8
88.95300	2.3
89.02393	1.6
91.05482	12.4
93.03407	9.6
93.07052	72.9
94.06554	1.9
94.07407	1.4
95.04977	21.3
95.08614	54.9
97.06541	14.2
98.20771	1.4
105.07050	3.4
107.01669	2.6
107.04964	6.3
107.08603	100.0
108.08149	0.7
108.08932	1.3
109.06533	6.1
109.10163	15.7
110.03679	3.3
110.10506	0.7
111.03261	6.3
111.04449	25.1
111.08092	8.2
111.96890	6.0
113.58945	0.7
119.06123	0.9
119.08583	1.0
121.02887	1.1
122.06063	1.8
125.06003	11.8
125.09660	2.8
126.05529	15.8
126.06374	0.6
126.09145	3.8
128.18457	0.8
129.97920	2.9
130.96320	0.7
134.99591	0.8
135.04431	2.5
135.08076	3.3
135.11703	38.7
138.03163	1.9
138.04225	0.8
138.06808	0.9
144.45187	0.9
148.97383	1.6
152.99724	0.8
153.01875	1.9
153.05486	8.5
153.06754	3.0
153.09100	5.9
153.12758	19.9
153.13921	1.6
154.05011	9.2
154.08630	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	3.4
54.97435	0.7
55.01863	2.5
55.05260	1.0
55.05513	15.4
57.03439	4.4
57.07065	2.8
58.21877	0.8
59.05002	5.1
61.42929	0.8
62.99072	2.3
65.00632	1.0
65.03945	19.1
67.05505	21.3
69.03435	7.0
69.07079	18.3
70.02958	0.9
70.94265	10.4
70.95854	3.3
71.05003	4.4
71.08627	1.0
71.58868	1.4
71.94096	1.4
72.86420	0.8
73.06552	2.0
75.67066	0.8
79.05497	23.3
81.03449	1.3
81.06573	1.3
81.07061	26.9
83.04989	21.1
83.08645	5.0
84.08154	1.1
85.06561	1.1
88.95310	2.0
88.96919	1.3
89.02416	0.9
91.05484	13.7
93.03418	9.3
93.07050	78.6
94.07354	1.4
95.04371	0.9
95.04979	20.5
95.08615	58.0
97.02898	1.8
97.06537	37.8
98.06865	0.9
99.40092	0.9
102.64097	0.9
105.04483	1.2
105.07051	5.9
107.01662	3.4
107.04973	6.2
107.08600	100.0
108.08927	1.6
109.06505	6.3
109.10162	29.2
110.03674	4.0
111.03240	8.5
111.04446	28.8
111.08099	9.2
111.96873	6.9
117.23738	0.8
119.06059	1.7
119.08669	1.0
121.02881	13.8
121.06555	1.0
123.04449	1.1
123.08044	1.0
125.02415	1.3
125.05998	13.0
125.06875	1.5
125.07957	1.0
125.09618	2.6
126.05515	18.9
126.09158	1.6
129.97923	4.1
130.96327	1.5
135.04430	3.4
135.08109	4.6
135.11700	45.0
135.84532	0.8
136.03976	1.2
136.07570	1.1
138.03183	1.2
148.97357	1.5
153.01871	2.7
153.05473	13.5
153.06845	4.1
153.09138	7.4
153.10211	1.3
153.12756	39.7
154.05022	10.8
154.08620	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	153.1275
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03939	2.0
55.01865	2.2
55.05301	0.8
55.05518	11.4
57.03445	5.7
57.07065	2.3
59.05009	1.3
62.13895	0.8
62.99072	3.3
64.21903	0.8
65.00618	2.6
65.03945	6.6
67.05509	33.3
69.03432	3.5
69.07075	55.7
70.94263	10.6
70.95862	2.7
70.99452	2.1
71.04984	2.8
71.94101	3.5
79.05497	30.2
81.07062	39.9
83.04987	8.4
83.08611	6.0
85.06557	1.9
88.29060	0.8
88.95294	2.4
89.02404	3.1
91.05480	6.7
93.03404	2.5
93.07052	48.2
95.04987	4.0
95.08615	21.1
97.06536	24.1
105.07040	2.2
107.01670	3.9
107.04952	3.4
107.08602	52.7
108.80501	0.8
109.06543	1.6
109.10164	39.4
110.03613	1.4
111.04487	8.5
111.08085	8.4
111.96878	6.1
112.04756	1.5
119.08633	1.0
122.06846	1.3
125.06028	5.8
125.09653	1.1
126.06329	2.0
129.97903	3.3
131.38065	0.8
133.10178	1.1
135.08070	1.6
135.11703	100.0
136.07516	0.8
136.12015	1.9
153.05534	5.6
153.06506	1.0
153.07368	3.8
153.09142	3.4
153.12759	77.5
154.05026	2.3
154.13083	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.76053	0.8
53.03943	3.6
55.01871	3.7
55.05515	11.9
57.03437	2.6
57.07081	1.2
59.04998	2.8
62.99075	1.0
65.03945	27.1
67.05166	1.3
67.05509	18.5
69.03448	4.5
69.07076	14.0
69.97569	4.3
70.94270	7.2
70.94613	1.3
70.95873	2.2
71.04996	3.3
73.06558	0.9
75.04464	1.8
77.03940	3.0
79.05497	19.4
81.03411	1.1
81.07059	16.9
83.04987	21.5
83.08613	3.3
84.08154	1.1
86.69664	0.9
88.95290	1.2
89.02391	1.0
91.05488	15.0
93.03414	19.2
93.07052	67.1
95.04976	8.6
95.08612	54.1
97.06544	22.6
98.21402	1.1
105.03420	2.8
105.04516	1.0
105.07024	4.7
107.01684	1.6
107.04975	6.2
107.08601	100.0
108.08940	1.3
109.06514	2.3
109.10162	20.6
110.03656	5.2
111.03275	5.8
111.04448	36.6
111.08080	7.1
111.96875	5.3
117.07042	1.0
121.02884	8.0
121.06521	2.7
123.04437	21.9
125.05064	1.0
125.06003	20.1
125.09641	2.7
126.05521	14.0
126.06384	1.3
129.97916	3.2
135.04408	1.5
135.08073	4.9
135.11699	43.7
137.02435	1.0
138.03087	1.9
138.06729	1.9
139.75620	1.0
148.97350	1.2
151.05020	1.4
153.01891	2.3
153.05492	28.7
153.06706	1.2
153.09125	7.9
153.12756	24.1
153.68402	0.8
154.04999	7.8
154.06036	1.0
154.08595	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	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03936	5.4
55.01876	29.8
55.05512	29.6
57.03438	8.6
59.04708	1.2
59.05003	24.7
62.99067	4.0
65.00633	2.4
65.03603	1.7
65.03942	22.8
67.05504	21.3
68.96331	1.8
68.99782	3.5
69.03435	16.8
69.06734	0.9
69.07079	14.3
69.54733	1.6
69.55139	6.0
70.02940	1.9
70.06563	1.2
70.94260	11.4
70.95857	4.0
71.01332	1.0
71.04987	4.9
71.95268	1.2
73.06525	1.2
79.05495	78.9
80.05819	1.7
81.03410	4.6
81.07059	19.6
83.01339	1.2
83.04984	45.5
83.08619	3.4
84.08135	2.3
85.02925	1.6
85.06534	1.5
88.95289	3.2
88.96898	1.3
89.02393	2.2
91.05483	44.2
93.03414	10.0
93.07053	30.7
95.04970	16.8
95.08605	10.5
97.02869	2.4
97.06536	13.8
97.08504	1.4
97.60995	1.2
98.20770	2.1
105.04499	2.0
105.07037	24.2
107.01677	6.4
107.04958	34.7
107.08598	97.2
108.05742	2.8
108.08103	1.3
108.08915	1.5
109.02880	1.1
109.06519	18.0
109.10153	6.4
110.03664	7.5
111.00166	1.3
111.03278	10.7
111.04443	54.8
111.08083	27.3
111.96870	7.9
112.04798	1.0
115.05451	6.0
117.07031	9.5
119.06076	2.8
121.02879	2.6
121.06504	1.7
122.06831	2.4
123.04465	2.0
123.08074	28.7
124.05190	0.9
124.08914	1.4
125.05994	17.9
125.08035	1.7
125.09638	35.7
125.10557	1.9
126.05521	23.3
126.09177	1.4
129.97913	4.8
130.96349	1.3
133.07643	2.7
135.04448	4.8
135.08060	62.9
135.11671	5.6
136.07492	1.6
136.08453	1.5
137.02341	24.7
138.03127	32.1
138.04205	1.5
138.06827	1.2
143.07159	1.0
148.97356	3.8
153.05476	100.0
153.06641	3.3
153.09105	34.9
153.10349	2.3
153.12735	11.6
154.04926	13.0
154.08641	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	152.0708
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03956	3.4
54.03483	0.7
55.01881	1.7
55.05522	4.6
56.05040	1.3
56.96567	1.7
57.03424	0.9
59.05033	0.8
63.23794	0.6
65.03693	0.6
65.03954	6.7
66.63228	0.6
67.04266	1.0
67.05511	5.5
68.05036	10.6
68.05848	1.1
69.03441	2.0
69.07076	2.8
70.06600	1.0
70.94276	3.3
70.95877	1.7
71.05003	2.6
71.59222	0.7
72.77592	0.7
73.06548	0.7
79.05497	72.1
80.05021	5.5
80.05817	1.9
81.03427	2.3
81.05807	29.9
81.07063	8.7
82.03760	0.9
82.06592	2.0
82.07397	1.2
83.04986	3.8
85.06559	1.8
88.96888	0.9
89.02425	1.0
91.05492	5.5
92.05013	2.3
92.05800	1.3
92.15096	0.6
93.03444	3.2
93.07053	8.8
94.06570	7.5
94.07154	0.8
94.07430	1.1
95.01340	1.1
95.04979	6.4
95.08605	1.6
96.04520	1.3
96.08134	100.0
97.02885	0.8
97.06549	1.8
97.08470	2.0
103.05481	1.8
105.04549	1.5
105.07013	1.6
106.06557	4.8
106.07369	2.5
107.01666	1.0
107.04956	7.1
107.08598	8.9
108.04486	3.1
109.06523	2.6
109.10157	1.1
110.03666	3.4
110.06042	2.6
110.06813	1.3
110.10527	0.6
111.04440	9.5
111.08072	3.4
111.96860	2.0
112.17486	0.6
117.07073	1.1
120.04503	1.4
120.05315	0.9
121.06510	18.5
123.04433	1.6
124.03952	1.7
124.07597	75.5
125.06012	4.5
125.07917	1.9
125.09637	2.0
129.97920	2.2
133.98892	0.7
134.06033	7.5
134.06956	1.1
134.10466	1.3
135.04416	1.8
135.08058	2.9
135.11693	2.0
146.97380	1.6
146.99689	1.8
152.01646	4.4
152.04451	2.1
152.05711	5.4
152.07054	80.7
152.10478	3.4
152.11766	1.7
152.14331	0.9
153.04196	1.3
153.05469	3.6
153.07448	1.3
153.09084	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	151.1119
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
52.25946	0.9
52.65901	0.9
53.03938	4.2
55.01878	5.7
55.05519	15.2
57.03438	5.5
57.07068	2.0
65.03934	4.4
65.49574	0.9
67.05508	64.5
67.62317	0.8
69.03435	15.5
69.07072	6.8
69.34777	0.8
69.79465	2.3
69.79877	2.8
71.04980	4.3
79.05498	45.5
79.05963	2.2
81.03417	5.3
81.07063	73.1
82.07378	1.7
83.04986	20.4
83.08607	1.1
85.06542	1.4
91.05484	58.3
92.05032	1.4
93.07050	49.3
95.00678	1.0
95.04974	23.2
95.08612	20.7
96.70143	0.9
97.06513	2.5
98.21500	1.2
103.05472	1.3
105.04530	1.8
105.07038	88.1
106.07384	2.5
107.04935	2.0
107.08601	95.6
108.05750	1.5
108.08907	1.5
109.02932	1.0
109.06528	28.5
109.10159	50.3
119.04922	1.2
121.06547	1.7
123.04455	6.7
123.08069	11.9
123.11725	14.6
127.07520	1.2
128.02324	1.0
131.08568	3.2
133.02869	1.3
133.06445	1.4
133.10138	75.5
134.10487	2.5
136.05200	1.1
151.02852	1.9
151.03917	5.7
151.05022	1.4
151.07587	9.0
151.11191	100.0
152.07057	1.1
152.11555	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	152.0569
Annotation	guanine
Peak:m/z	Relative Intensity
53.03936	0.3
55.01867	0.7
55.03009	0.6
55.05516	0.4
56.96571	18.8
57.03429	1.1
59.04996	0.4
61.02923	0.6
65.03925	0.6
66.01376	0.3
66.81168	0.3
67.05507	0.4
69.03083	0.4
69.03422	1.8
70.51196	0.7
70.51591	0.8
71.95264	1.7
73.02917	1.1
79.05492	0.6
81.03422	1.0
82.04076	0.6
83.00783	0.4
83.04977	0.4
84.96019	0.7
85.02901	1.3
90.01593	0.3
91.05466	0.4
93.07053	0.6
95.04971	0.6
96.04427	0.3
96.08095	0.4
96.51670	0.4
97.02911	1.7
98.01296	0.5
98.97594	5.3
100.02408	0.3
101.00806	0.3
103.02448	0.6
106.06545	0.6
107.01790	0.4
107.08582	0.3
108.04458	0.4
109.02890	0.3
109.05159	1.9
110.01294	0.5
110.03536	11.9
110.06065	0.4
110.97584	12.4
111.04472	0.4
111.97917	0.3
115.02442	0.4
116.98631	2.3
117.03975	0.4
119.01920	1.6
119.51944	0.4
121.01630	0.3
121.06521	2.4
124.07601	1.1
125.05989	0.5
127.01506	0.4
127.04048	0.3
128.02298	0.5
128.04572	5.1
128.52467	0.7
128.98621	18.4
129.03990	0.7
131.01930	0.6
133.03477	0.7
134.04636	1.0
134.06013	2.7
134.99681	1.1
135.03030	19.5
135.05106	0.6
136.01431	0.8
140.55147	0.4
143.00198	0.4
146.98485	0.6
146.99664	12.8
147.01460	0.9
147.04993	1.5
152.05687	100.0
153.04085	33.5
154.02481	0.7
154.04498	0.5
158.01407	0.4
158.99738	0.7
159.03291	0.4
159.08649	0.3
161.01178	0.4
165.00740	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	151.0756
Annotation	875-59-2
Peak:m/z	Relative Intensity
51.02376	0.3
51.32650	0.3
53.03935	1.4
55.01867	0.5
55.05503	0.9
57.03431	0.3
65.03938	1.9
66.04733	1.6
67.05512	4.3
68.16132	0.3
69.03423	0.9
69.07050	0.7
69.31181	0.3
70.90637	0.3
70.90981	0.6
77.03912	0.4
78.04707	1.1
79.05067	0.4
79.05502	5.2
80.05837	0.4
80.06275	3.5
81.03422	2.7
81.07061	6.2
83.04985	0.4
90.04689	1.9
91.05486	11.2
92.06248	0.4
93.03423	1.4
93.07056	4.7
94.04205	0.6
95.04979	3.0
95.08614	5.3
96.08166	0.6
105.03418	2.0
105.07044	5.8
106.04170	2.0
107.04966	29.5
107.08614	2.2
108.05765	10.7
109.06538	3.4
109.10154	2.1
111.04439	0.5
115.36290	0.3
118.04166	1.3
119.04929	1.0
119.06001	0.5
121.02914	0.3
121.06523	0.9
121.10122	0.5
123.03615	0.4
123.04462	2.9
123.08074	2.4
123.11707	1.0
124.07583	0.3
133.02866	0.4
133.06494	0.5
133.10150	2.0
135.04430	7.7
136.05223	4.2
151.03963	2.3
151.07556	100.0
151.11104	4.0
152.08023	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	151.1119
Annotation	CARVONE
Peak:m/z	Relative Intensity
50.18871	0.6
53.03954	6.4
55.01878	2.0
55.05514	100.0
56.05849	1.1
57.03438	1.8
57.07084	6.0
59.05005	3.6
59.98904	0.5
63.78338	0.6
65.03953	2.0
67.05508	33.7
68.05038	0.7
69.03434	3.2
69.07070	6.0
69.59548	0.7
70.71461	1.7
71.04984	1.1
71.08647	2.2
77.03951	0.8
79.05496	21.1
81.03434	3.8
81.05818	2.7
81.07062	42.7
83.04989	1.8
83.08607	0.6
85.06546	0.9
91.05483	12.3
91.06004	0.9
93.07056	11.2
94.83716	0.7
95.04979	14.8
95.08611	35.6
96.08137	10.0
97.06538	16.0
103.05499	1.3
105.07039	20.8
106.07353	1.2
107.05000	3.3
107.08601	15.7
107.09295	1.1
108.04516	0.6
108.05746	1.6
109.06526	16.7
109.10163	36.5
110.07314	1.3
110.10535	0.8
115.05457	0.9
119.04966	1.2
121.06543	1.2
121.10161	3.1
123.04412	4.0
123.08078	8.5
123.10837	1.0
123.11711	13.0
124.07604	8.1
125.09669	0.9
131.08580	1.1
133.06497	4.5
133.09218	1.2
133.10121	7.0
134.05969	0.6
136.05206	0.8
136.08826	1.2
149.04921	0.7
151.02895	1.1
151.03955	2.9
151.07558	19.1
151.10258	1.4
151.11205	28.2
151.14828	5.2
152.07057	6.7
152.11536	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03942	4.8
55.01877	2.5
55.05511	7.1
57.07073	2.6
65.03948	21.9
67.05505	4.7
69.03442	1.9
69.07077	7.1
69.33186	14.8
74.27310	1.8
79.05063	2.2
79.05505	27.5
81.07072	8.8
84.11051	1.8
89.03921	3.1
91.05482	33.4
93.03384	4.2
93.07049	39.3
95.04974	5.6
95.08614	4.0
103.05481	6.6
105.07038	46.5
107.04961	3.1
107.08605	62.6
109.06527	5.0
111.04444	3.3
116.19958	1.7
119.08598	17.3
120.09383	3.2
121.02875	23.4
121.03988	6.1
121.06506	4.7
121.10152	100.0
122.10422	1.9
123.08080	7.8
131.05020	2.1
131.08575	2.4
133.07632	4.1
133.10118	5.9
134.10950	3.4
142.41954	1.7
149.02364	38.2
149.06035	2.1
149.09650	30.0
149.13271	19.6
150.02550	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03931	4.5
55.05500	6.7
57.07070	4.7
65.03604	2.5
65.03944	43.5
67.05502	2.7
69.07070	10.8
71.37666	2.0
71.38014	2.5
71.41257	1.6
75.27916	1.9
79.05497	24.0
79.72062	2.1
81.07056	4.9
84.29441	1.7
91.05476	27.6
93.03391	11.9
93.07051	28.4
95.04964	5.5
95.56762	1.6
103.05482	10.1
105.07033	52.1
107.08595	57.5
109.06517	4.0
111.04438	9.5
119.06142	2.2
119.08599	18.1
121.01998	2.5
121.02866	49.1
121.03983	12.6
121.06485	5.0
121.10149	100.0
122.10468	3.6
122.23473	2.1
123.08079	7.2
131.04918	7.3
133.07651	2.6
133.10152	15.8
134.10938	11.0
149.01151	4.2
149.02339	82.2
149.05963	2.0
149.09628	16.6
149.13261	24.3
150.02606	2.0
151.02377	2.7
168.83281	1.5
169.03487	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	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03945	6.5
55.01870	2.1
55.05508	2.9
61.61962	1.6
65.03609	2.3
65.03944	35.9
71.31602	3.8
77.03884	2.3
78.04699	2.0
79.05503	24.4
81.07042	3.9
82.54883	1.6
89.03941	1.7
91.05494	44.2
93.03422	9.5
93.07053	43.4
95.04973	5.6
103.05504	12.0
105.04510	2.2
105.07038	37.4
106.04149	3.4
106.07829	5.8
107.08604	6.9
109.06539	2.9
111.04459	4.1
115.05446	4.5
116.06255	10.2
119.08597	5.5
121.02874	39.2
121.03980	10.8
121.06503	13.8
121.10165	26.0
123.08052	2.4
124.46905	1.5
129.07016	3.3
131.08578	9.2
144.60548	1.6
149.02359	71.2
149.05994	4.2
149.09631	100.0
155.10463	1.8
166.40074	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	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03935	5.7
55.01870	4.9
56.06730	1.4
59.67447	1.4
65.03950	52.0
65.87043	1.5
69.03438	3.0
71.20429	3.0
75.89842	1.5
77.03941	2.0
78.04720	3.7
79.05501	22.8
81.07061	4.3
89.03927	2.3
91.05497	37.0
93.03414	12.4
93.07056	40.3
95.04974	5.8
98.03689	1.9
103.05493	8.7
105.04539	2.2
105.07037	29.0
105.07687	1.1
106.04179	10.8
106.07861	3.3
107.04958	2.8
107.08597	7.5
109.06571	1.9
111.04475	8.4
115.05479	2.4
116.06255	4.8
119.08624	6.1
121.02876	58.2
121.03997	12.3
121.06515	20.1
121.10160	21.8
123.08096	3.5
131.04962	2.1
131.08553	10.0
134.03596	3.1
149.02362	100.0
149.06012	10.0
149.09633	80.9
149.13309	1.9
150.02643	2.5
167.03419	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	149.0963
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03952	4.9
55.01877	2.8
65.03943	6.9
69.03417	3.7
71.38718	3.3
72.09851	2.2
79.05061	2.0
79.05501	25.1
81.07061	2.0
91.05492	76.7
93.07057	36.9
95.04968	5.4
103.05482	11.2
105.04493	2.5
105.06377	3.8
105.07045	52.5
106.07830	5.1
107.04955	2.6
107.08623	3.9
108.87209	2.1
109.06538	7.4
115.05456	8.8
116.06250	29.7
119.08552	10.9
121.02869	5.8
121.06513	19.7
121.10147	42.4
123.08081	7.3
129.07031	9.0
131.08585	30.0
133.07643	2.6
134.07288	5.9
137.03615	1.8
141.79648	1.9
147.08063	4.3
149.02332	16.2
149.09641	100.0
149.92053	1.7
150.09959	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03943	4.5
55.01869	3.1
55.05510	2.6
65.03942	18.4
69.03431	2.6
69.65159	6.2
69.65579	2.8
76.01729	1.5
79.05498	23.6
81.07037	2.4
91.05482	32.8
92.87801	1.3
93.03394	3.6
93.07049	40.8
95.04970	5.3
98.21500	2.0
103.05479	5.6
105.04527	1.9
105.07034	29.5
106.07811	5.5
106.88301	1.4
107.04968	2.4
107.08596	4.9
111.04451	3.5
113.49316	1.5
115.05461	1.3
116.06226	3.9
119.08598	4.2
121.02868	20.0
121.03979	4.7
121.06476	9.9
121.10146	23.3
123.08096	3.3
129.07019	2.3
131.08566	5.2
133.07619	2.1
149.02359	30.3
149.09627	100.0
150.09926	2.8
150.96394	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	149.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01868	2.3
57.00608	0.6
65.03946	52.9
70.65175	2.1
77.70735	0.6
79.05499	2.0
80.02618	1.3
81.07059	0.7
89.03894	0.7
91.05479	3.8
93.03412	13.2
93.07059	3.6
98.03700	2.9
105.07043	3.0
107.08600	1.6
111.04444	8.9
121.02871	58.7
121.03983	17.0
121.06486	1.8
121.10159	2.3
122.03168	1.1
122.04443	0.7
131.08586	1.4
131.43767	0.6
149.02353	100.0
149.06015	2.3
149.09628	4.6
150.02728	1.8
167.03468	0.9
169.88206	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	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02378	2.5
53.03950	15.4
55.01624	2.1
55.01877	39.7
55.10786	1.8
55.93913	1.2
65.03946	57.3
71.15303	1.7
71.15633	2.0
77.03933	3.5
78.04723	1.6
79.05485	9.8
80.02622	1.4
81.03420	4.0
81.07060	3.8
89.14948	1.2
91.05486	44.8
93.03397	12.0
93.07051	31.5
95.04970	22.5
98.03681	2.8
102.04710	1.2
103.05477	49.0
104.05814	1.5
105.04515	4.3
105.07053	1.9
107.04967	4.0
107.08596	3.8
109.02933	1.8
111.04483	6.5
113.89687	1.2
118.33202	1.1
121.01999	2.6
121.02874	54.9
121.03988	16.2
121.06512	70.8
121.10137	2.1
131.04944	5.3
131.05960	1.4
149.02359	100.0
149.05988	22.3
149.09706	3.0
150.02673	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03933	4.1
55.01880	8.8
55.05504	2.1
59.50464	1.4
62.21938	1.3
65.03604	2.9
65.03943	49.1
66.04248	2.4
67.05481	4.3
68.21442	1.4
69.03413	1.8
69.07094	1.9
69.89115	9.0
73.30966	1.4
77.51624	1.5
79.05492	30.0
81.07035	2.0
89.03908	4.3
89.50166	1.5
91.04963	2.5
91.05490	32.8
93.03400	15.8
93.07051	31.9
95.04964	4.7
98.03663	1.7
98.20833	2.9
103.05444	7.8
105.07040	30.9
107.04992	9.6
107.08603	27.3
109.06477	1.9
111.04472	8.4
115.05407	1.9
116.06230	5.1
117.03369	2.6
119.08584	4.3
121.02869	58.9
121.03983	13.7
121.05698	2.1
121.06480	12.7
121.10138	15.7
123.08065	2.4
129.06993	3.1
131.04892	3.2
131.08565	14.4
134.07219	1.8
149.02354	100.0
149.05989	5.4
149.09633	47.5
149.13280	2.8
150.02704	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	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03954	1.9
55.01876	1.1
55.05518	3.4
55.10435	0.4
59.76673	0.4
60.71417	0.4
64.92805	2.2
65.03947	7.0
67.05519	1.3
69.03447	0.4
69.07073	1.2
71.59275	0.4
78.04742	0.5
79.05499	5.4
81.07070	0.9
83.06905	0.8
91.05489	100.0
91.50107	0.4
92.05829	1.9
93.07065	3.0
95.04978	1.5
95.29169	0.4
95.83810	0.4
99.31339	0.4
100.04030	0.4
101.07976	1.8
103.05471	5.4
104.06270	4.8
105.04539	0.5
105.07040	31.8
106.07353	0.6
107.04970	3.6
107.08609	1.8
109.06543	0.7
115.05453	3.2
116.06298	0.6
117.07031	12.6
119.04957	49.0
119.08588	96.9
120.05309	1.4
120.08917	2.2
123.96505	2.4
128.06230	0.9
129.07002	2.8
131.04944	1.0
131.08595	0.8
132.05765	7.1
132.09360	2.1
145.06540	0.4
145.10123	2.9
146.06865	0.7
147.04433	18.1
147.05522	1.5
147.08064	32.2
147.11702	21.7
148.08534	0.6
148.12096	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03940	2.0
55.05510	11.3
64.92809	4.1
65.03938	3.8
67.05226	1.4
67.05516	15.5
69.07071	3.6
70.94441	1.7
70.94778	2.5
79.05502	15.5
81.07061	10.6
82.06573	2.0
83.06907	3.7
91.05486	68.6
92.05805	2.1
93.07033	6.0
95.04977	2.0
95.18570	1.3
100.07614	1.5
101.07947	8.3
103.05476	4.8
105.07038	100.0
106.07338	2.4
107.08589	3.2
117.07034	13.0
119.04951	5.3
119.08589	72.7
120.08923	1.5
123.96478	3.7
131.08563	3.1
132.09367	5.0
143.81570	1.3
145.10144	5.4
147.04422	3.4
147.05583	3.5
147.08107	2.2
147.11693	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	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73169	0.6
62.31767	0.5
65.03946	12.0
71.04133	1.4
76.20142	0.5
79.36387	0.5
91.05487	100.0
92.05823	2.4
93.18736	0.6
101.07964	0.9
105.07030	3.0
117.06973	0.9
119.04951	93.8
119.08589	5.3
120.05293	1.9
123.96480	0.7
134.87718	0.5
147.04422	35.4
147.11708	1.8
148.04814	1.0
165.29272	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	147.0766
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05041	3.8
56.96568	1.7
57.03439	0.8
64.92806	0.4
70.06590	1.1
71.33927	1.1
73.02927	0.8
74.06084	0.6
76.41952	0.4
78.92300	0.5
84.01577	1.2
84.04511	100.0
84.08149	17.6
85.02898	2.4
85.04863	0.9
88.04774	0.4
91.05489	5.2
101.07153	2.7
102.05557	5.7
104.94820	0.5
119.01879	1.3
119.04954	6.6
122.52058	0.5
130.05019	24.4
130.08647	2.3
131.00165	0.8
131.05389	0.5
147.04462	1.8
147.07674	0.6
149.01227	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.04209	0.5
51.04515	0.5
53.03946	0.7
55.05523	0.7
64.60444	0.5
65.03941	11.2
69.61024	1.1
69.61423	3.4
73.11127	0.5
78.16165	0.5
84.04512	1.3
84.47870	0.6
91.05486	100.0
92.05835	2.9
103.05483	0.6
103.56910	0.6
105.07043	5.4
117.07043	1.3
119.04951	84.7
119.06824	1.7
119.08546	4.6
120.05300	2.1
129.07063	1.0
138.00533	0.5
147.04424	35.2
147.08044	1.5
147.11703	2.1
148.04842	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.92299	0.4
53.00297	0.4
53.03947	0.6
65.03947	10.5
76.21909	0.4
81.20281	0.4
91.05490	100.0
92.05831	2.0
92.43854	0.4
101.07963	0.6
103.05487	0.5
105.07022	2.0
119.04955	86.3
119.06812	1.6
119.08607	3.2
120.05280	2.5
147.04428	32.1
147.11707	0.7
148.04752	0.6
148.07640	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04006	0.8
51.75055	0.9
53.03954	6.4
55.01863	3.7
55.05499	2.1
57.03428	3.3
61.02922	1.8
62.92981	1.0
65.03931	3.7
67.05507	64.3
69.03435	6.5
69.07058	1.3
70.10070	3.8
71.01357	1.7
71.04996	14.7
72.08164	1.2
72.60772	0.8
79.05499	6.7
81.03432	4.5
81.07059	4.9
82.06607	4.5
82.07006	0.8
83.01337	1.5
85.02910	9.1
85.06556	4.4
88.53954	0.8
89.03927	3.9
91.05486	33.4
91.75466	1.0
95.15946	0.8
97.02894	3.6
99.04453	30.1
100.07622	6.2
103.05473	4.7
105.07036	64.3
106.07358	1.4
109.10158	12.2
115.05461	18.9
116.06273	5.2
117.03387	2.4
117.07021	61.6
118.06558	10.1
118.07330	1.6
121.96622	2.2
127.03917	6.3
128.05307	1.1
128.06221	9.2
129.07014	15.6
130.07794	46.4
131.08183	1.3
143.08560	10.9
145.05011	2.0
145.06488	8.2
145.07657	2.5
145.10127	100.0
146.06035	3.0
146.08084	1.9
146.10492	2.4
155.06052	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
54.00978	0.6
57.16647	0.6
69.32309	4.1
69.32723	1.4
72.49114	0.6
73.60288	0.6
75.45741	0.7
82.06571	1.0
91.05484	24.7
92.05846	0.9
98.20771	1.1
100.07620	2.6
101.29514	0.7
117.05758	5.4
118.06547	100.0
119.06895	1.8
120.97558	0.6
128.04985	3.4
129.59215	0.6
146.06013	17.1
147.06346	0.8
160.48151	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	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.75629	0.3
65.03935	0.8
70.97748	0.6
70.98122	0.7
82.06602	0.4
91.05487	24.3
92.05823	0.4
100.07609	1.4
117.05776	5.3
118.06549	100.0
119.04962	1.1
119.06898	2.7
146.06017	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	146.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61870	0.5
70.71830	1.5
82.06569	0.7
91.05486	26.5
100.07607	1.2
105.64941	0.6
117.05760	5.6
118.01509	0.5
118.06547	100.0
119.06870	3.0
128.04982	4.0
137.20227	0.5
146.06018	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.91268	0.4
65.03948	10.5
70.97613	1.4
83.06888	0.5
84.04507	1.1
89.44697	0.6
91.05488	100.0
92.05817	2.9
97.06898	0.5
101.07932	1.3
105.07036	2.1
111.15479	0.5
119.04953	91.7
119.06817	1.9
119.08584	1.4
120.05283	2.3
123.96430	0.8
129.05363	0.8
138.56198	0.6
147.04425	30.9
147.06369	2.1
147.08125	1.1
147.11742	0.6
148.04910	0.8
150.39760	0.5
161.41612	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.43892	0.4
53.03947	0.6
59.47816	0.5
64.92805	0.9
65.03943	10.4
69.46087	3.4
69.46494	1.1
76.22526	0.5
79.05483	0.7
83.06927	0.6
86.48019	0.5
91.05484	100.0
92.05821	2.5
101.07951	1.9
105.07040	4.4
108.86907	0.5
117.07053	0.9
119.04948	80.5
119.08586	5.5
120.05293	2.0
123.96466	1.2
147.04419	33.4
147.08290	0.9
147.11702	3.5
148.04834	0.8
152.28653	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	144.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01877	1.9
55.05511	1.3
56.05039	1.9
56.76681	0.5
56.96589	2.9
56.96841	0.7
57.03444	4.4
57.04575	0.7
57.07080	7.9
58.02934	0.5
58.06610	5.0
60.04528	1.8
60.07875	0.8
60.08174	15.7
60.95860	0.6
61.02940	0.6
64.81351	0.6
65.03957	1.0
67.05510	16.3
68.05026	2.4
69.03435	2.2
69.97981	3.0
70.06602	13.4
71.05006	5.5
72.08147	1.1
74.02442	0.8
78.01069	0.6
80.05029	1.9
81.03418	1.2
82.06598	1.7
84.04523	1.6
84.08150	16.0
85.02917	12.6
85.06552	34.5
87.02711	0.7
97.91203	0.7
98.03245	0.6
98.06065	19.5
98.09702	100.0
98.97589	1.0
99.04472	9.6
99.10022	2.0
102.00986	2.9
102.05558	1.0
102.37947	0.6
102.89300	1.1
102.96867	0.8
103.00664	1.2
116.07181	0.9
119.01931	2.7
120.02021	7.2
121.01650	2.8
126.05521	1.4
127.03911	1.2
138.03076	1.3
144.03777	3.4
144.06583	7.9
144.10214	36.4
144.13844	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	144.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96915	0.5
55.05514	1.5
56.05032	0.8
57.03443	3.9
57.07080	26.1
58.06601	5.0
58.69126	0.5
59.07383	0.8
60.08169	56.6
63.70191	0.5
65.03934	1.7
67.05511	55.2
68.05027	0.5
69.92191	2.6
70.06596	5.5
71.04977	1.2
72.08163	3.0
74.07201	1.3
79.34038	0.5
84.08155	9.1
85.06550	100.0
86.06877	2.0
98.06074	4.7
98.09087	0.8
98.09698	12.6
98.21542	0.7
101.00897	0.7
102.00965	1.8
102.96898	0.7
103.00638	1.3
115.02475	0.7
119.01905	2.1
120.02000	5.8
121.01653	1.8
138.03032	0.6
144.06580	1.1
144.10225	11.0
144.13846	44.3
145.14227	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	144.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.5
53.03946	2.8
55.01873	1.6
55.05502	2.1
56.05026	1.4
56.96574	6.7
57.03446	7.4
57.07085	27.4
57.07378	1.8
57.40892	1.3
58.06602	5.6
59.31703	1.2
60.04523	2.6
60.08170	61.2
65.03940	1.3
67.05510	58.0
69.03425	3.6
69.60170	7.6
70.06614	11.5
71.05002	14.1
81.03431	2.0
81.52811	1.2
82.06577	1.3
83.01311	1.4
84.08150	13.4
85.02907	18.0
85.06548	100.0
88.67225	1.2
97.02900	1.9
98.06073	10.1
98.09703	50.5
98.97606	2.7
99.04457	24.0
102.00977	1.4
102.96863	2.0
119.01881	1.5
120.00352	1.1
120.01269	1.2
120.02006	7.9
121.01688	2.5
126.05482	1.8
127.03973	3.7
136.13826	1.3
144.03716	4.8
144.06554	6.0
144.10216	25.3
144.13847	42.4
145.04974	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01855	1.7
57.03431	2.4
62.92982	4.0
67.05512	1.1
67.41064	1.0
69.03436	1.4
70.09915	3.0
71.01315	1.1
71.05000	12.0
75.40260	0.9
76.20451	0.9
79.05486	2.2
81.03413	4.4
81.17226	0.9
82.06582	8.5
85.02894	3.7
91.05485	22.8
99.04463	32.1
100.07633	16.0
103.05457	5.7
105.07038	67.8
106.07398	2.1
115.05460	14.4
116.06244	3.2
117.07026	36.6
118.06557	6.8
118.07298	1.7
121.96659	8.6
125.56203	0.9
127.03934	5.4
128.06215	7.0
129.07027	13.4
130.07802	44.3
131.04942	5.3
131.08234	1.0
138.90018	1.0
143.08569	11.1
145.05002	2.2
145.06490	15.3
145.10130	100.0
146.06099	2.0
146.07259	3.6
146.08150	3.5
146.10435	2.3
147.08012	1.2
155.06018	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	144.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42056	0.6
53.03954	0.9
55.05505	0.7
56.05043	3.4
56.96568	8.1
57.03436	1.8
57.04567	0.7
57.07080	4.1
58.06614	0.6
60.07874	0.6
60.08166	8.3
60.64975	0.5
60.95861	5.1
61.02927	0.6
62.19041	0.5
67.05509	9.5
68.99775	0.7
69.03433	1.2
70.06570	5.2
70.06895	0.9
70.59767	0.5
70.98118	1.5
71.05004	3.2
72.08163	1.2
73.02921	0.7
74.07200	1.2
75.01040	0.7
75.94564	0.8
82.58006	0.5
84.08150	100.0
84.52087	0.5
84.96052	0.7
85.02908	2.9
85.06554	15.3
85.07072	0.8
85.08497	0.7
88.07623	0.6
89.00835	0.6
97.02882	0.8
98.01319	0.9
98.06077	1.5
98.09707	1.5
98.21399	0.8
98.97585	3.1
99.04462	2.3
102.00970	3.1
102.89293	1.2
102.96875	13.0
103.00641	1.7
113.03045	0.5
115.00706	0.7
116.98656	1.0
117.41348	0.5
119.01893	3.7
120.02026	10.7
120.97915	10.0
121.01675	5.6
121.96637	0.9
127.03963	0.9
137.03023	0.8
138.03046	3.4
138.98950	3.8
139.01781	0.5
139.02759	1.4
144.03723	0.9
144.04869	1.0
144.06566	1.1
144.10226	9.7
144.11327	0.8
144.13870	6.5
146.99632	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	144.0809
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03953	2.1
55.01873	0.6
56.05030	0.4
56.93098	0.4
57.03442	0.9
60.04519	0.4
69.03432	0.6
69.69600	2.1
70.06585	0.9
71.04996	3.2
72.08162	0.7
77.03928	0.4
78.99727	0.4
80.05009	0.6
81.03401	1.0
84.04513	0.8
84.08147	1.1
85.02904	3.2
87.02695	0.9
89.03923	1.1
91.05479	2.6
95.04959	1.3
98.06054	4.2
98.09695	1.7
99.04456	5.7
103.05481	5.8
110.15677	0.4
115.05455	5.9
116.05016	0.9
117.05751	1.8
117.07032	8.1
118.06536	1.7
121.00793	0.6
121.96668	0.8
126.02663	0.4
127.03945	1.0
127.05438	1.2
128.04976	4.9
128.06226	1.1
129.05765	0.9
129.06920	0.4
130.07823	0.5
139.01825	1.1
142.06500	0.8
143.07321	16.4
144.03601	2.6
144.08092	100.0
145.04938	0.5
145.06494	3.5
145.08467	2.9
145.10133	0.6
146.06012	2.0
155.06033	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	144.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.05045	3.1
56.96570	9.3
57.03432	1.6
57.04572	0.6
57.07077	3.9
60.07923	0.6
60.08175	8.1
60.95854	4.6
61.02927	0.6
62.93002	0.6
67.05509	7.6
69.03428	1.5
70.06594	7.5
70.27957	1.9
70.98129	1.2
71.04996	3.7
71.33733	0.4
72.08149	1.6
73.02874	0.8
74.07216	1.0
74.83667	0.4
75.94560	0.7
81.03438	0.7
83.00779	0.8
83.05691	0.5
84.08150	100.0
84.96026	0.6
85.02908	2.5
85.06548	14.6
85.08477	1.4
87.04443	0.5
95.01332	0.6
97.02908	0.7
98.01321	0.5
98.06077	1.2
98.09686	1.7
98.97600	3.4
99.04475	1.9
101.00874	1.1
102.00980	2.1
102.89347	1.1
102.96877	15.0
103.00656	1.5
104.01301	0.6
110.97581	1.2
116.98649	1.7
119.01931	3.4
120.02014	8.9
120.97913	9.7
121.01656	4.7
127.03908	1.1
128.98596	1.2
133.01723	0.6
137.03027	0.7
137.87994	0.5
138.03059	2.5
138.98965	4.0
139.02721	1.0
142.96506	0.8
144.03761	0.6
144.04909	0.6
144.10217	8.6
144.11298	0.9
144.13826	5.7
146.99808	0.7
158.99744	0.6
162.03287	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39450	0.4
58.99621	0.4
58.99873	4.1
60.95136	0.5
66.55083	0.3
68.05014	1.0
68.36217	0.4
70.99862	5.1
77.00909	3.6
80.73849	0.4
81.04552	5.0
82.64107	0.4
82.99847	2.2
83.00322	0.3
85.06541	0.5
87.60554	0.4
89.00460	0.3
89.00922	2.7
95.01956	1.5
95.06099	2.6
97.07617	0.4
98.06067	5.2
100.02477	0.6
101.00889	35.4
102.00962	1.0
103.02437	1.2
107.01924	0.8
110.11398	0.4
115.02435	0.6
119.01927	100.0
119.98814	0.6
120.02020	3.2
125.07104	2.0
133.03490	1.7
137.02963	14.4
137.99826	0.7
138.03046	0.7
141.80779	0.4
142.03511	2.6
143.01909	4.5
143.03439	1.3
143.08199	1.4
144.06566	1.5
144.10188	1.0
161.02969	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18370	0.5
56.96557	1.9
57.03440	1.4
57.07072	1.2
58.99863	3.5
60.08150	1.8
67.05504	1.5
69.03432	0.8
69.45286	3.9
70.06582	0.6
70.99860	5.2
73.02914	1.1
74.75378	0.5
77.00903	3.4
81.04539	1.3
82.99838	3.4
84.08169	3.8
85.02893	1.1
85.06544	4.4
86.52708	0.8
88.02665	0.9
89.00887	2.8
92.06892	0.5
94.86882	0.5
95.06104	0.6
97.02905	1.2
98.06068	2.8
98.09683	3.3
98.97603	1.2
99.53468	0.7
99.66436	0.7
100.02484	1.5
101.00887	40.7
102.00970	1.7
102.96895	1.1
116.98660	0.9
117.20482	0.6
119.01926	100.0
120.01994	4.8
125.07095	0.8
131.01923	0.7
133.03455	1.7
137.02968	13.1
142.03487	2.6
143.01947	4.5
143.03394	6.1
143.08159	0.8
144.10219	1.9
144.13852	2.2
161.02971	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	142.0864
Annotation	Arecaidine
Peak:m/z	Relative Intensity
55.01879	1.6
55.05493	1.4
56.05034	1.6
56.25799	0.7
57.14264	0.7
59.93098	1.0
65.63577	0.8
66.67315	0.7
67.05487	1.4
68.05010	1.3
69.03443	3.8
69.81528	4.6
70.06596	1.6
71.04998	33.8
72.04520	13.9
72.14073	0.8
79.05055	1.4
79.05494	16.0
81.07033	1.6
82.02932	3.2
86.06068	0.8
94.06606	1.0
95.04988	1.1
95.44438	0.9
96.08136	7.6
97.02902	4.2
98.21469	1.0
101.00860	0.9
103.49460	0.7
106.06559	46.5
114.09175	2.5
118.96753	1.8
119.01915	4.6
124.07600	100.0
125.02396	4.6
125.07921	2.2
142.03506	1.3
142.07558	1.2
142.08638	15.9
143.03398	26.8
164.14276	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29644	4.8
66.25340	5.8
80.53821	5.9
90.62806	6.1
97.47297	5.3
101.00884	40.6
106.56818	6.2
119.01933	100.0
119.43998	6.1
119.61806	6.0
121.22260	5.8
133.47183	6.0
133.98050	7.2
137.02985	25.1
137.49973	8.2
142.03505	22.9
145.48811	8.8
149.19510	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	142.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01864	3.0
55.05513	1.7
56.05038	1.5
56.96569	0.8
59.93091	2.0
60.50842	0.6
67.05502	2.2
68.05035	1.9
69.03432	5.8
69.81963	3.7
70.06577	2.2
71.04999	38.1
72.04519	14.8
79.05052	1.2
79.05500	18.5
80.05006	0.7
81.05811	0.7
81.07037	1.1
82.02954	3.3
82.06598	0.9
82.07387	0.7
88.76627	0.8
94.06555	1.7
95.04971	0.7
96.04491	1.1
96.08140	8.4
97.02886	5.0
97.06540	0.9
100.89497	1.7
101.95048	1.7
106.06561	42.0
107.06893	1.4
114.09171	3.0
118.96764	3.9
119.01940	6.5
124.07603	100.0
125.02374	5.8
125.07925	2.1
137.02951	2.2
142.04887	0.9
142.08655	20.3
143.03409	42.6
146.82756	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95137	7.4
64.16800	4.8
69.34162	46.5
88.42276	5.1
100.98029	5.2
101.00903	28.8
103.85378	4.9
109.54623	4.5
118.98235	7.8
118.99105	7.8
119.01932	100.0
133.98096	11.0
137.02933	23.3
142.03484	18.8
147.35675	4.8
160.04561	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	17.8
57.03425	1.4
58.96170	1.9
62.24961	0.9
68.05018	4.1
69.03444	2.2
69.07047	1.0
70.06595	1.6
70.16091	2.5
70.16448	2.0
77.00906	1.3
79.05496	9.7
82.06562	1.5
82.99843	1.5
83.01328	2.4
84.04497	2.1
84.08156	3.0
84.96036	0.9
96.08146	5.0
97.06539	2.4
98.97584	3.7
100.02459	2.1
100.07619	1.0
100.97192	6.2
100.98003	2.9
101.00884	27.2
114.09207	1.0
115.02433	1.9
116.98599	2.3
118.03521	2.9
118.96813	1.6
118.98209	3.5
118.99044	1.9
119.01926	100.0
125.02352	1.1
125.06049	2.1
125.07063	1.8
130.67926	0.9
133.03444	2.3
136.04549	1.5
136.99217	2.1
137.00145	1.1
137.02966	22.4
141.25804	0.9
142.03497	11.8
142.08636	7.2
142.12311	2.2
143.03412	6.5
160.04581	5.9
161.02930	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	140.0707
Annotation	Gabaculine
Peak:m/z	Relative Intensity
51.02394	1.2
53.03708	1.6
53.03950	26.4
55.01887	3.3
56.96563	11.4
57.93574	15.8
65.03928	6.2
66.04289	1.5
67.05513	46.4
69.03432	2.7
69.07065	8.8
69.07395	1.9
70.06590	3.9
70.71895	4.1
71.95289	1.6
77.03930	2.4
79.05453	1.3
81.03414	4.5
84.08142	8.7
93.05796	18.2
94.06577	55.9
95.04366	2.4
95.04977	47.6
95.08649	2.2
96.04506	3.5
96.05299	1.5
97.02897	4.4
97.05271	2.1
97.06532	1.4
98.06057	2.0
98.97590	32.3
105.04515	10.4
111.04444	1.3
112.03983	3.6
112.04800	3.5
112.07611	17.0
113.02393	2.6
113.06031	2.8
115.05484	1.7
116.97256	25.9
116.98611	30.5
122.06041	100.0
123.04428	4.2
123.06428	2.0
125.02384	5.4
134.99667	19.7
138.05556	1.8
140.03441	6.2
140.04587	2.4
140.07074	53.4
140.08025	2.0
140.10689	2.8
141.01849	3.6
141.05504	2.5
148.96143	2.6
153.00749	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	141.0548
Annotation	2,4,6-Trihydroxytoluene
Peak:m/z	Relative Intensity
53.03952	1.2
55.01862	3.0
55.05500	2.4
56.96544	1.3
57.03437	1.0
57.07073	1.3
59.93109	2.4
65.03934	1.6
67.01863	2.3
67.05506	9.8
67.93563	3.1
68.05013	1.0
68.05843	1.9
68.99794	19.2
69.03436	1.9
69.07067	1.0
70.06585	0.9
70.87492	1.4
70.87830	1.2
71.04993	6.6
71.08617	0.8
74.15026	0.7
79.05505	2.4
79.63074	0.7
81.03423	3.8
81.07066	6.0
83.04987	1.7
85.02899	2.5
85.06546	1.3
93.07069	0.9
95.01325	2.8
95.04963	7.0
95.08614	4.9
96.05303	2.3
96.08118	1.9
96.90322	0.8
97.02891	4.3
97.06548	1.4
98.03690	7.8
99.04461	2.9
99.97946	0.9
106.06567	1.7
109.02883	3.1
111.00814	100.0
111.04416	1.0
112.01140	1.0
113.02389	10.5
113.06019	1.9
114.09172	2.2
114.87807	0.9
115.05466	7.1
116.98617	1.3
117.98943	1.2
118.94380	0.9
118.96786	2.6
123.04445	3.3
123.06370	0.8
123.08091	2.2
124.07616	3.5
126.03146	58.5
136.00018	0.9
141.01863	10.1
141.05481	57.3
141.07040	3.5
142.06590	1.5
142.08643	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00092	0.6
56.96575	26.8
63.88782	0.7
68.98701	0.7
70.77887	1.2
70.78227	0.7
71.95277	6.5
96.29015	0.6
98.97598	100.0
110.63182	0.8
116.98640	65.8
117.98987	0.8
134.99683	23.4
140.00250	1.6
153.00746	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	140.0708
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
53.03929	1.9
53.84153	1.2
55.01859	3.5
55.05512	2.0
56.90724	1.3
56.96569	24.0
57.93567	12.8
59.95206	1.2
65.03940	9.0
66.04269	2.3
67.05508	100.0
67.60552	1.5
68.05828	1.9
68.99802	1.3
69.03433	11.2
69.07072	15.0
69.66875	8.8
70.06585	3.9
71.04992	1.6
71.34702	1.1
71.95261	6.6
73.45296	1.3
84.08154	11.0
85.72870	1.4
87.02757	1.3
88.95667	1.3
94.06569	18.8
94.07147	2.0
95.04974	82.1
95.08632	2.9
96.05278	2.7
97.02906	3.2
97.51378	1.4
98.97589	65.5
111.00810	16.4
112.04000	3.3
112.04780	5.3
112.07612	49.7
113.02377	4.3
113.06012	39.6
116.97267	23.2
116.98621	64.0
121.08285	1.3
122.03200	2.6
122.06022	15.2
123.04437	19.5
123.20805	1.5
125.02312	6.6
126.03133	9.2
134.99669	39.0
140.00215	2.0
140.03403	4.8
140.04727	1.9
140.07071	22.8
140.10674	2.9
141.01826	3.1
141.05482	9.2
148.96173	2.3
153.00664	2.7
158.01317	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	138.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03712	1.0
53.03954	17.8
55.01871	3.2
55.46596	0.8
63.35118	0.8
65.03947	6.0
67.05515	8.2
67.72475	0.7
69.55643	5.1
70.66351	0.7
77.03928	3.2
81.03424	2.2
86.27849	0.8
93.03389	1.0
95.04977	100.0
96.05305	1.6
105.04533	6.1
123.04440	60.5
129.49448	0.9
138.05666	1.4
138.06775	27.8
154.51122	0.8
158.14531	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	139.0391
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.03946	0.6
55.05500	1.1
56.96565	0.7
57.00998	0.5
57.93566	0.7
65.03945	54.7
66.04255	0.7
67.05494	1.0
69.03425	1.0
69.07068	0.9
69.80898	1.4
69.81293	0.8
72.97390	0.4
79.05488	0.7
80.02653	0.5
81.06541	0.5
83.04993	1.6
93.03410	32.6
93.07072	0.7
94.03754	0.6
95.04976	1.6
97.02898	1.1
98.03664	0.6
98.97602	2.6
98.98473	1.4
110.03660	0.6
111.04448	73.6
112.04774	1.4
112.07552	0.5
116.97254	1.1
116.98648	1.3
121.02874	100.0
121.03907	3.7
122.03188	2.4
125.02369	0.9
134.99815	0.6
139.03900	8.0
139.07599	0.6
139.11203	0.8
139.12268	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	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03950	6.9
55.01867	4.0
55.05523	10.5
56.96579	5.0
57.03423	1.3
57.07064	3.5
57.93561	3.3
59.04996	3.6
65.03948	19.2
67.05507	7.7
68.99796	1.0
69.03435	100.0
69.07069	10.4
69.68696	6.1
70.06568	1.1
71.95271	1.0
77.03912	1.3
79.05499	8.5
81.03384	1.3
81.07062	8.3
83.04986	17.3
87.18310	0.9
91.05495	5.2
93.03415	7.8
93.07050	15.8
95.04971	33.7
95.08611	11.0
95.50108	1.0
96.05287	1.5
97.02898	5.8
97.06537	17.9
97.10158	1.8
98.97583	7.3
98.98479	10.2
105.04518	2.9
105.07036	4.1
111.04443	27.0
111.08109	2.5
116.97259	4.8
116.98611	5.8
121.02879	23.1
121.03951	2.9
121.06522	1.6
121.10141	12.4
125.02342	3.0
130.79453	1.0
134.99666	3.7
139.03920	10.7
139.07588	8.2
139.08562	1.5
139.11186	43.4
140.07059	1.7
143.44191	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98623	0.8
56.82814	0.7
56.96289	1.5
56.96571	27.9
64.28146	0.7
69.95056	3.4
71.95274	6.0
72.18481	0.7
82.43156	0.6
94.14788	0.8
98.97591	100.0
116.98631	61.5
117.98962	0.7
134.98647	1.1
134.99669	22.5
140.00188	1.8
153.00746	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	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03938	0.6
55.01868	0.3
55.05505	0.3
57.40760	0.2
61.02837	0.2
65.03945	1.8
67.04259	0.2
67.05505	1.9
68.05009	0.8
68.05846	0.2
69.03438	0.4
69.07070	0.3
71.59054	0.3
76.61221	0.2
78.03457	4.1
79.03809	0.3
79.04215	1.4
80.05034	1.3
80.05846	0.2
82.02928	0.3
82.06571	0.7
83.04974	0.5
91.05486	0.5
92.04996	0.7
92.05804	0.6
93.03400	0.5
93.05794	0.6
93.07050	0.8
94.06569	1.1
94.07383	0.3
95.04968	0.9
95.08601	0.5
96.04499	22.2
97.04832	0.4
97.06544	0.4
98.98473	0.7
106.02888	0.7
108.04492	5.4
108.45611	0.3
109.05267	0.8
110.06064	2.1
111.03172	0.9
111.04420	1.6
120.04482	0.8
121.02878	0.6
123.06809	0.3
124.03965	4.2
138.05508	100.0
138.09116	1.1
139.03932	0.8
139.05823	2.3
145.84718	0.2
154.04973	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	137.1327
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03941	5.1
55.01881	1.6
55.05521	7.4
56.75781	1.2
57.07085	11.7
65.03954	3.6
66.04726	3.1
67.05515	38.1
68.05050	1.4
69.07070	6.4
69.34950	2.9
69.35365	9.4
79.05497	16.0
81.03421	2.9
81.07067	70.5
81.67878	1.2
91.05484	17.1
93.07053	10.4
94.04189	16.3
94.06583	1.6
95.04979	6.1
95.08618	100.0
96.04559	1.7
96.08975	3.4
107.04967	3.7
107.08612	2.5
109.02901	1.8
109.06553	6.8
109.10173	14.9
110.06061	2.1
119.04958	4.7
119.08599	4.5
122.03664	18.9
122.07327	11.8
137.02544	8.7
137.05962	30.5
137.07951	2.3
137.09627	17.2
137.13266	8.6
138.05516	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	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.34497	1.1
53.03933	2.7
54.43790	1.0
55.01873	0.9
55.05505	5.1
55.13154	0.9
57.07085	10.9
62.70712	0.8
65.03933	1.7
66.04715	1.6
67.05508	33.3
69.03433	1.1
69.07072	7.6
71.58640	1.0
79.05499	14.1
81.03389	2.1
81.07063	68.1
82.07377	0.9
91.05481	9.8
92.05816	1.2
93.07059	8.3
94.04208	11.9
95.04951	2.8
95.08614	100.0
96.08946	2.8
107.04954	3.4
107.08566	2.0
108.09400	1.5
108.19800	0.9
109.06502	3.6
109.10165	11.4
109.39108	0.8
110.06061	1.3
119.04971	1.8
119.08596	3.1
122.03654	12.3
122.07275	8.4
123.06876	1.1
137.02412	5.0
137.03409	1.5
137.05968	20.4
137.09622	12.0
137.13258	11.0
138.05479	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03947	9.0
55.01864	5.6
55.05521	8.2
65.03928	6.4
67.05508	66.7
69.03423	3.8
69.07069	1.7
71.17590	2.0
71.17913	2.5
79.05504	16.4
81.03413	5.6
81.07061	35.2
83.04961	1.9
89.62875	1.4
91.05482	34.8
93.07050	11.9
94.04186	13.3
95.04980	19.3
95.08611	17.7
103.05479	2.1
104.06274	2.2
105.04502	1.8
107.04300	1.9
107.04961	23.3
107.08588	4.3
108.05754	2.5
109.06522	40.0
109.10161	47.8
117.07002	2.2
119.04950	3.8
119.08591	18.5
121.06509	8.8
122.03648	12.9
122.07291	87.5
135.08063	4.6
137.02422	4.0
137.03438	1.9
137.05957	31.7
137.09618	100.0
138.05495	1.9
138.09985	3.1
146.39084	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	4-Propylphenol
Peak:m/z	Relative Intensity
53.03938	3.1
55.05503	3.2
57.07058	1.1
63.04808	0.8
65.03928	1.6
67.05509	29.1
69.03408	2.3
69.07063	1.2
70.74706	2.5
73.83470	0.9
79.05489	5.7
81.07057	9.5
91.05485	14.7
93.07056	4.9
94.04192	4.2
94.07839	1.2
95.04978	3.2
95.08610	10.1
103.05473	1.6
104.06242	0.9
105.04514	1.2
107.04958	22.9
107.08597	2.5
109.06543	2.0
109.10159	33.5
113.10118	0.7
117.07000	1.7
119.08587	16.2
120.21371	0.8
121.06504	10.5
122.03677	8.2
122.07289	100.0
123.07625	1.4
126.96147	0.8
135.08051	4.0
137.03589	0.7
137.05983	9.7
137.09621	95.1
138.09932	2.5
139.27449	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	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03937	2.9
55.01867	1.4
55.05513	6.4
57.07085	7.4
63.63853	1.1
64.92431	1.1
65.03950	2.8
67.05505	33.3
69.03447	1.6
69.07071	8.1
71.60197	1.5
71.95033	1.0
77.03928	1.2
79.05499	14.1
81.03425	1.4
81.07062	71.3
82.06586	1.2
91.05476	11.9
92.05779	1.0
93.07040	10.9
94.04195	10.6
95.04961	3.0
95.08613	100.0
96.08944	1.8
107.04981	2.8
107.08577	2.6
109.06518	3.7
109.10155	13.2
110.06038	1.6
119.04967	3.0
119.08572	3.0
120.04465	1.1
121.80026	1.2
122.03653	13.6
122.07285	9.1
137.02438	6.1
137.03471	1.5
137.05949	21.4
137.09618	15.8
137.13266	10.5
138.05484	2.5
138.09103	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02385	1.0
53.03951	6.9
55.01862	2.5
57.07072	1.0
65.03942	4.2
66.04729	8.8
67.05518	7.3
69.03419	1.3
69.07045	0.9
69.54830	2.3
69.55243	2.9
77.03944	1.4
79.05061	1.2
79.05499	19.9
81.03418	2.6
81.07062	15.4
85.81689	0.7
87.18095	0.8
89.33749	0.7
91.05492	16.1
93.07027	2.3
94.04196	53.9
95.04503	0.7
95.04987	6.3
95.08601	8.3
105.03399	1.1
105.04568	1.3
107.04965	8.7
109.02841	1.1
109.06518	13.4
109.10152	4.5
119.04978	1.0
119.08601	2.8
122.03658	66.8
122.07281	9.4
123.03999	1.2
135.04480	1.1
135.08025	1.1
137.02505	3.5
137.05983	100.0
137.09602	9.3
138.06334	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.12249	1.0
52.86376	0.8
53.03955	7.9
55.01876	83.7
55.05494	3.6
56.48841	0.9
57.07072	1.4
60.41777	1.0
61.52764	1.0
65.03931	4.2
66.02493	0.9
66.04711	2.6
67.05510	29.1
69.03419	2.2
69.07060	2.5
70.72972	2.9
79.05496	46.0
81.03412	3.7
81.07060	100.0
82.07399	1.6
91.04959	1.7
91.05485	19.6
92.05805	1.7
92.11584	1.0
92.12157	0.9
93.07034	9.5
94.04201	15.1
94.06567	1.0
95.04989	10.1
95.08614	18.9
96.04504	1.6
105.04531	1.9
107.04956	5.2
107.08578	1.3
109.02872	1.7
109.06520	20.7
109.10167	12.4
110.06114	1.3
117.07027	1.1
119.04929	3.0
119.08595	5.7
121.06520	2.3
122.03651	16.6
122.07298	11.0
123.06836	1.7
137.02409	5.6
137.03387	1.6
137.05977	44.2
137.08656	1.7
137.09627	29.7
138.05505	11.5
138.06494	1.4
138.09128	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.99021	0.7
51.02364	0.9
53.03947	5.9
55.01865	1.6
59.91858	0.7
65.03931	3.0
66.04724	8.0
67.05505	4.9
69.03425	0.7
70.39724	1.6
71.17768	0.6
77.03924	1.0
79.05492	6.3
81.03426	2.5
81.07056	4.5
91.05476	7.6
93.07046	1.4
94.04187	52.0
95.04977	24.6
95.08617	3.7
105.03442	0.9
105.04530	2.1
107.04965	2.6
109.06497	2.2
109.10144	1.3
119.04939	1.6
122.03650	68.2
122.07261	2.0
123.04462	12.3
134.50407	0.6
135.04347	1.0
136.04744	0.9
137.02449	2.9
137.05974	100.0
137.09590	2.7
138.05460	0.9
138.06714	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03944	1.3
54.98595	0.7
65.03936	2.3
66.04735	7.3
69.44152	1.7
69.44577	4.3
69.55130	0.7
70.60448	0.7
75.81326	0.7
77.03926	1.0
77.41704	0.8
79.05492	3.9
80.06376	0.7
81.07068	1.1
88.28812	0.8
91.05491	4.0
94.04192	57.1
95.04963	2.3
107.04941	2.1
107.87341	0.9
109.06490	1.3
112.09731	0.8
118.22987	0.7
121.36637	0.7
122.03656	66.7
123.03964	1.4
135.04433	0.8
137.05984	100.0
138.06314	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02374	1.3
53.03956	4.9
54.98945	0.9
55.01865	2.3
55.05503	2.4
57.07070	1.4
65.03940	4.5
66.04730	7.8
67.05168	1.5
67.05508	19.7
69.03420	1.6
69.07058	1.7
77.03927	1.2
79.05498	10.6
81.03416	1.5
81.07063	28.8
91.05487	20.6
93.07056	10.0
94.04192	54.9
94.06552	1.1
95.02576	0.9
95.04537	0.9
95.04978	9.9
95.08616	27.4
105.04511	1.9
107.04961	3.1
109.06544	7.3
109.10165	6.1
110.01464	1.1
110.06113	2.1
119.04931	2.7
119.08589	6.6
120.04536	1.6
122.03656	71.9
122.07301	3.8
123.03938	1.0
123.85836	1.1
137.02505	10.1
137.05977	100.0
137.09625	21.9
137.10629	0.9
137.13206	2.9
138.01808	1.1
138.05470	5.0
138.06306	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	136.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.2
50.16689	0.7
51.02385	2.0
53.03955	18.8
55.01866	1.2
56.01385	0.8
62.42607	0.6
65.03941	6.6
67.05514	4.5
70.02951	1.6
70.22001	0.7
71.02961	1.3
71.03294	0.8
77.03942	5.4
78.04711	1.3
79.05486	1.9
80.05017	3.2
81.03415	2.0
81.04198	0.8
81.07057	4.0
82.02933	0.7
91.05489	49.8
92.05819	1.5
93.05802	9.2
93.07050	20.4
94.04153	1.6
94.06563	1.2
94.07391	0.7
95.04978	24.4
96.04466	1.6
105.04507	6.2
108.04462	2.3
108.08133	11.4
108.08871	1.3
118.06574	1.5
119.03543	1.6
119.04946	1.1
121.05239	1.7
122.03609	1.2
122.07298	1.1
126.05519	9.4
132.12262	1.1
136.02174	9.7
136.06232	7.5
136.07587	100.0
137.05942	1.4
137.07924	1.8
137.09639	1.7
148.09074	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03956	6.8
53.53745	1.0
55.05516	7.9
65.03928	3.6
67.05503	6.1
69.07050	3.1
69.83115	5.4
75.24933	1.3
78.04714	1.4
79.05502	33.8
81.07066	6.7
81.68042	1.1
89.03913	2.1
91.05486	73.1
92.02580	1.5
92.05789	1.4
93.07049	57.3
95.04958	10.9
101.02742	1.2
103.05476	4.0
104.06255	3.1
105.04542	2.5
105.07036	54.0
107.04978	5.8
107.08601	100.0
108.08936	1.7
109.06512	8.4
117.07041	6.8
118.06606	1.5
119.03527	1.9
119.06086	5.0
119.07790	2.5
119.08590	36.8
120.09376	21.3
133.10199	2.7
135.04420	6.3
135.08057	7.3
135.11700	60.4
136.02191	13.5
136.06181	12.3
136.07591	1.6
147.09140	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02393	1.7
52.28749	1.0
53.03951	10.1
55.01870	5.2
55.05513	11.5
62.48562	1.2
65.03935	6.5
67.05507	6.4
69.03442	1.0
69.07059	3.4
71.32226	2.1
77.03919	1.4
79.05494	45.7
81.07055	4.2
89.03927	10.5
91.05482	76.7
92.05804	1.4
93.07045	62.8
94.07847	1.4
95.04975	13.0
95.08622	2.0
103.05470	3.8
104.06262	1.2
105.04534	4.1
105.07032	33.6
106.07864	1.5
107.04960	14.0
107.08598	100.0
108.08107	1.4
108.08881	1.7
109.06528	8.8
115.05457	5.4
117.03397	3.9
117.06997	6.8
119.03580	2.0
119.06071	4.0
119.08578	20.2
120.09369	7.1
133.10126	2.1
135.04433	13.7
135.08060	31.1
135.11705	27.3
136.02165	9.3
136.06213	13.5
136.07555	4.3
137.09679	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	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
56.08237	0.2
56.47355	0.2
56.96573	1.7
57.03447	0.4
58.99859	0.4
62.32651	0.2
65.03942	1.0
65.47667	0.2
67.03004	0.5
69.28534	0.2
71.39506	0.3
73.02920	0.3
81.07048	0.4
86.51821	0.4
91.05487	60.2
92.02514	0.8
92.05819	1.2
93.05785	0.2
94.04058	4.3
95.00780	0.3
95.04964	0.2
95.52374	0.3
98.97583	0.6
100.08649	0.2
103.02442	0.2
104.01308	0.5
107.04961	3.2
108.05283	0.2
109.05163	1.1
109.06538	1.5
112.05178	0.2
112.07613	0.3
113.00883	2.5
113.01704	0.4
116.00168	0.2
116.98668	0.3
117.05769	0.5
118.06558	2.0
119.03584	10.9
119.04939	15.1
120.05274	0.3
122.02357	0.2
131.01918	12.1
132.02061	0.4
136.06197	100.0
136.07552	8.5
137.04599	6.8
137.06670	1.1
149.02969	1.8
154.03558	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	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02380	2.1
53.03953	18.8
55.01880	1.0
62.28653	0.7
65.03938	6.6
67.05515	4.3
67.25194	0.7
67.46652	0.8
70.02944	1.4
70.14013	3.9
77.03938	4.5
78.04700	2.1
79.05475	2.1
80.05016	2.0
81.03429	1.9
81.07054	4.1
91.05489	45.6
92.05836	1.6
93.05803	8.8
93.07053	23.5
94.07363	1.4
95.04974	23.0
105.04510	8.5
106.47054	0.8
108.04468	2.2
108.08135	12.1
108.08870	1.7
115.92426	1.0
118.06572	1.6
126.05517	11.2
136.02188	7.7
136.06271	3.8
136.07585	100.0
137.06046	1.1
137.07912	2.8
137.09602	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02372	0.7
53.03954	6.2
55.01863	1.5
55.05310	0.8
55.05516	9.4
57.07067	1.2
59.16408	0.8
65.03946	2.5
66.48759	0.7
67.05504	3.8
69.07055	4.1
69.53628	5.5
77.03911	0.9
78.04713	0.8
79.05056	1.5
79.05499	24.4
81.07067	4.4
89.03928	8.4
91.05487	34.4
91.65999	0.8
93.07050	62.9
94.80070	0.8
95.04974	6.4
98.20750	1.6
105.04514	2.3
105.07038	14.6
107.04965	4.1
107.08600	100.0
108.08936	1.4
109.06516	5.2
117.03386	3.0
117.07040	1.4
119.06055	2.3
119.08608	4.2
120.09377	2.4
133.10178	0.9
135.04440	7.9
135.06476	1.0
135.08051	2.8
135.11710	18.0
136.02158	2.2
136.06116	1.2
136.07608	1.8
150.58792	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02386	2.0
53.03956	10.3
55.05507	8.7
61.44600	1.3
61.44937	1.3
63.02371	2.7
63.63846	1.2
65.03934	3.8
67.05502	3.6
69.07071	3.9
70.71761	2.0
70.72104	3.2
77.03923	1.9
79.05055	2.1
79.05497	31.4
81.03417	1.9
81.07040	5.3
89.03921	48.5
91.05482	38.3
93.07048	61.5
95.04982	11.6
99.32781	1.6
105.04524	4.9
105.07033	11.3
107.04951	14.8
107.08598	100.0
108.08121	2.2
108.08901	1.7
109.06491	6.6
117.03373	16.5
117.07037	2.1
119.01102	1.5
119.06084	3.7
119.08576	6.1
128.41010	1.3
135.04424	31.9
135.08038	4.8
135.11705	14.7
136.02164	7.0
136.06206	4.9
136.07564	10.9
141.97102	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.28632	1.9
53.03951	8.2
53.53442	1.7
55.05515	11.5
65.03944	2.6
66.73457	1.8
67.05520	10.9
69.07079	6.1
69.47105	3.2
69.47514	10.1
77.03957	1.7
79.05503	45.3
79.64173	1.9
81.07060	10.7
89.03922	11.7
91.05486	55.6
93.07053	67.6
95.04983	12.0
98.38634	2.2
103.05435	1.9
105.04514	3.4
105.07040	25.0
107.04966	9.5
107.08606	100.0
109.06539	8.2
115.05466	3.6
117.03413	4.9
117.07029	5.7
119.06083	2.8
119.08591	18.1
120.09377	5.2
122.71235	1.6
124.55105	2.1
134.00220	1.6
135.04416	14.7
135.08084	8.2
135.11705	40.7
135.12711	2.7
136.02202	5.3
136.06204	4.3
136.07565	3.2
151.28401	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	9.6
55.05516	17.1
65.03923	2.6
66.99616	1.2
67.05512	20.6
69.07078	9.5
77.03901	1.5
79.05501	61.1
81.07070	20.3
90.04919	1.0
91.05487	42.2
93.07052	100.0
94.07851	1.4
95.04978	10.8
101.79849	1.0
105.04519	3.6
105.07042	14.7
107.04954	3.6
107.08603	78.5
109.06530	4.3
115.05426	1.2
117.06981	1.7
119.03562	1.4
119.06062	2.6
119.08576	5.7
120.09390	2.8
133.10115	1.7
135.04405	4.9
135.08083	4.1
135.09064	1.1
135.11699	44.9
136.02174	13.3
136.05257	1.7
136.06187	11.2
136.12062	1.9
144.47351	1.0
148.95963	1.1
149.10579	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	o-Cymol
Peak:m/z	Relative Intensity
50.82928	1.2
53.03941	4.7
55.05513	6.8
57.07067	1.5
62.04657	1.1
65.03937	2.9
67.05505	1.9
70.83350	2.4
79.05501	20.9
81.07061	2.2
91.05486	63.6
93.07050	46.5
95.04952	8.3
95.08588	2.2
103.05431	2.1
105.04527	1.9
105.07040	35.9
106.07864	1.3
107.04993	2.1
107.08600	100.0
108.08884	1.2
109.06545	9.5
115.05495	2.3
117.07037	3.4
119.06082	5.3
119.08585	24.2
120.09410	6.0
127.48126	1.2
130.10039	1.2
133.10153	1.6
135.08047	4.1
135.11696	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	135.0806
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
51.02361	2.0
53.03950	13.6
55.01874	13.2
55.05511	8.0
57.52040	1.0
63.08370	1.0
65.03933	6.6
67.05501	7.8
69.07066	2.1
77.03924	4.1
79.05495	66.0
80.05840	1.3
81.03416	1.8
81.07045	4.3
89.03921	10.2
91.05485	100.0
92.05780	1.4
93.07045	82.5
94.07369	1.2
95.04972	18.6
96.60983	1.0
103.05441	2.7
105.04532	5.6
105.06512	0.9
105.07030	30.5
107.04959	25.3
107.08597	84.5
108.08128	1.8
108.08866	1.4
109.06511	10.1
115.05463	9.7
117.03373	2.1
117.07017	17.1
118.06495	1.1
118.07329	1.2
119.03540	1.1
119.04922	1.0
119.06047	3.1
119.08597	15.9
120.09367	4.6
120.10185	1.1
123.18291	1.1
133.06499	1.3
135.04446	17.2
135.06415	3.1
135.08058	63.5
135.11684	20.6
136.02167	11.1
136.06192	14.5
136.07573	11.1
136.08435	1.7
137.09619	1.3
138.95407	0.9
141.53036	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	135.0804
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03941	2.5
55.01869	1.9
55.05502	2.0
65.03957	3.9
67.05511	2.4
69.07099	0.9
75.04820	0.8
79.05497	26.7
89.03915	2.1
91.05488	48.7
92.06290	2.1
93.07047	10.0
95.04974	4.0
105.04523	1.1
105.07038	15.4
105.07733	0.6
105.98127	0.8
107.04987	3.8
107.08599	23.0
108.09006	0.8
109.06515	5.2
115.05475	8.6
117.07008	2.8
119.06081	2.2
119.08586	3.3
135.04433	3.2
135.08066	100.0
135.11655	5.0
136.02213	6.5
136.06194	6.4
136.08418	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03955	5.8
55.01660	1.1
55.01878	12.5
55.05498	3.1
59.13083	1.1
63.02371	1.0
65.03943	10.9
67.05510	7.3
69.03432	11.1
69.07053	1.4
71.15530	1.1
79.05498	58.5
80.05038	1.1
80.05831	1.0
81.07059	2.4
89.03934	6.1
91.05489	100.0
92.06264	3.0
93.06464	1.4
93.07053	22.4
95.04971	12.1
105.04506	2.3
105.07036	33.6
107.04962	15.9
107.08603	59.8
108.08956	1.4
108.75167	1.0
109.01099	1.6
109.06527	14.5
115.04673	1.8
115.05461	28.5
117.03395	2.3
117.07029	19.2
119.03549	2.6
119.06076	8.1
119.08607	6.2
119.12912	0.9
120.05729	1.7
120.09372	1.2
126.81070	0.9
135.04459	11.4
135.05473	1.4
135.08064	47.9
135.11694	8.6
136.02174	26.5
136.03873	1.3
136.05226	1.6
136.06198	16.9
136.07553	3.0
136.08449	2.1
137.04576	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	135.0807
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.02374	0.9
53.03954	7.8
55.01873	4.1
55.05501	1.8
56.63355	0.8
58.86618	0.8
65.03943	6.9
67.05502	5.5
71.27993	1.6
77.03918	1.2
79.05499	58.0
80.05074	0.8
81.03402	1.5
81.07053	1.7
89.03929	11.2
91.05486	80.3
92.05785	1.9
92.06288	1.9
93.07053	11.7
94.04069	2.0
95.04975	7.8
105.04509	3.5
105.06386	1.7
105.07038	19.6
107.04284	1.5
107.04964	20.9
107.08600	36.5
107.50035	1.0
108.08938	1.7
109.01130	1.4
109.06528	8.0
115.04680	1.9
115.05464	29.6
116.06280	1.5
117.03381	3.7
117.07021	15.7
118.06536	1.2
119.03563	7.0
119.06087	4.5
119.08585	2.7
120.05712	2.1
120.09354	1.1
133.02864	3.1
133.06544	1.0
135.04433	65.6
135.08058	100.0
135.11662	3.6
136.02158	15.8
136.06195	60.6
136.07469	2.2
136.08389	3.2
137.04576	5.1
146.38797	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	135.0802
Annotation	Isochavicol
Peak:m/z	Relative Intensity
50.72272	0.6
51.02373	0.6
52.35045	0.7
53.03944	3.7
55.01867	1.6
55.05507	2.7
59.77939	0.7
62.58448	0.7
65.03944	5.5
67.05500	4.5
69.03399	0.7
69.07070	1.1
69.77399	0.6
71.59397	0.8
76.00403	0.6
79.05496	32.3
80.05846	0.6
81.07050	3.0
89.03918	2.2
91.05482	55.4
92.06274	2.0
93.05782	0.7
93.07043	20.6
95.04983	6.4
105.04515	2.1
105.07033	16.1
107.04959	8.1
107.08594	32.9
109.01108	1.3
109.06522	5.3
115.05453	10.6
117.03366	1.0
117.07026	2.8
119.03565	2.0
119.06090	2.5
119.08597	5.7
120.09371	1.9
124.05264	0.7
133.10069	0.6
135.04506	4.6
135.08058	100.0
135.11694	9.8
136.02159	16.8
136.03867	1.2
136.05142	1.0
136.06181	18.3
136.07413	1.0
136.08415	2.1
137.04565	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	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02385	1.1
53.03952	7.6
54.16699	0.9
55.01874	1.9
55.05499	2.7
63.02383	3.5
65.03942	1.2
67.05521	1.6
67.76655	1.0
69.88551	4.7
77.03951	1.5
79.05500	23.0
81.07067	1.8
88.35738	0.9
89.03925	100.0
90.04251	2.0
91.05498	13.9
92.25413	0.9
93.07056	15.7
95.04977	9.9
96.46917	0.9
98.21449	1.2
105.04498	1.6
105.07020	5.9
107.04964	28.5
107.08607	30.3
109.06541	1.7
115.05489	1.3
117.03388	36.4
117.86560	0.9
119.08593	4.3
120.09378	1.3
135.04427	56.6
135.08066	6.3
135.11697	5.9
136.02179	1.8
136.07567	2.4
136.69099	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	135.0443
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03954	10.4
55.01872	1.9
55.05512	4.5
63.02379	4.1
65.03949	2.8
67.05507	3.2
69.07057	2.2
69.51868	7.9
77.03923	1.5
79.05500	31.7
81.03465	1.1
81.07056	3.1
82.81605	1.0
89.03924	100.0
90.04241	1.7
90.19442	1.2
90.47734	1.1
91.05484	25.9
91.69218	1.0
93.07049	27.4
95.04977	12.7
98.20750	1.8
105.04545	2.8
105.07027	10.7
107.04959	36.8
107.08605	46.7
109.06509	3.8
117.03387	39.5
117.04224	1.1
117.07031	2.5
119.06121	1.5
119.08568	6.2
120.09421	1.2
135.04431	60.9
135.08038	9.6
135.11679	10.5
136.02182	9.9
136.04820	1.3
136.06187	4.4
136.07564	1.5
145.04071	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01861	7.1
56.96570	100.0
57.03439	13.7
58.99885	3.1
59.63818	1.6
59.67045	1.9
60.17917	1.8
65.03976	1.5
66.39350	1.6
67.05497	2.4
69.03424	6.8
71.26505	1.7
71.57146	3.0
71.95267	2.0
73.02909	4.9
74.97609	2.4
77.00900	3.2
77.52180	2.4
79.05502	13.0
81.03401	4.8
82.01418	2.8
83.05009	2.1
85.02887	4.3
86.52702	7.6
86.99352	2.6
87.02751	2.1
88.01807	2.0
88.02698	5.3
88.51709	4.2
91.04900	1.8
91.05457	9.7
92.90027	2.4
93.07043	3.4
93.53474	4.5
95.04980	4.4
95.53220	2.0
97.02919	2.0
98.97589	4.4
100.02466	23.4
101.00890	10.0
102.02353	3.4
103.02415	4.2
104.49210	1.9
105.03421	2.3
106.06665	8.9
106.07359	8.5
107.04956	10.6
107.08611	4.7
108.01512	3.4
110.54523	3.7
110.96790	3.0
111.02943	5.3
113.00857	3.1
115.02472	4.4
116.98618	4.1
118.03509	18.7
119.01930	29.4
119.03650	3.3
119.53400	3.3
119.97325	18.4
120.02052	4.4
120.03371	2.6
121.01646	4.4
123.04483	3.1
127.03918	3.7
128.49567	2.4
128.52832	3.5
128.96968	3.5
128.97859	39.9
129.03963	5.3
131.01904	15.4
131.53188	2.0
133.03465	5.1
134.06010	17.1
134.07004	3.7
134.09641	6.7
134.10507	3.2
134.99655	3.7
135.04424	8.4
135.08028	4.6
137.02969	8.0
137.50000	8.4
137.98378	31.4
140.48613	4.8
142.03510	22.9
143.03714	2.5
145.03456	4.8
147.05019	8.7
149.02954	4.6
149.49219	2.6
154.03465	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	134.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	80.9
57.03437	6.5
60.95874	4.7
69.03435	4.8
69.54662	27.2
76.92870	5.5
79.05495	7.0
82.01441	6.1
89.51582	9.8
91.05502	5.9
91.65871	4.1
95.04996	4.5
98.21487	5.7
98.97600	46.6
100.02505	13.8
103.02393	7.6
104.98615	7.0
107.00768	5.1
107.04971	6.4
107.08590	7.3
109.97818	5.6
112.00992	7.5
112.02726	4.8
113.00889	17.0
113.99159	6.1
115.02412	4.3
116.98615	21.6
117.51056	5.3
118.03550	7.3
118.98351	8.2
119.01946	16.5
119.08690	5.0
120.03313	4.4
121.01602	16.9
124.52426	4.2
127.98952	6.1
129.49431	11.6
130.01042	5.0
131.01920	100.0
131.50807	5.0
132.05159	4.8
134.99677	16.1
136.02278	5.1
138.49902	18.6
142.03493	4.7
142.39685	3.8
145.03552	4.2
149.02968	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39553	0.2
51.02378	0.5
53.03942	1.8
55.01874	0.4
55.05514	2.8
56.53921	0.2
59.66141	0.2
59.87592	0.2
63.02385	0.2
65.03938	0.7
65.06858	0.2
65.48983	0.2
67.05511	0.8
69.88222	1.3
77.03939	0.8
79.05499	12.2
80.05822	0.4
91.05488	24.6
92.05787	0.4
92.06290	0.7
93.07055	6.0
95.04979	2.9
102.04705	0.3
103.05479	6.9
104.06269	0.4
105.07039	71.6
106.07356	1.6
107.08600	1.5
115.05462	9.8
116.06278	1.4
117.07028	9.8
118.07816	10.2
119.08128	0.2
129.07016	0.9
131.08580	7.7
133.06525	5.5
133.10139	100.0
134.10486	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	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03955	3.5
55.05518	3.4
57.21767	0.6
65.03936	1.7
67.05502	0.9
69.89626	0.6
71.48322	0.9
73.07564	0.6
77.03936	1.5
79.05498	14.8
79.91668	0.5
85.26907	0.6
91.05489	29.4
93.07068	6.4
95.04974	5.3
103.05479	8.4
105.04521	2.2
105.07038	71.6
106.07346	1.8
107.08599	1.5
115.05476	8.4
115.51965	0.5
116.06260	1.5
117.07029	11.5
118.06003	0.7
118.07007	1.0
118.07810	11.4
128.39221	0.6
129.07025	1.2
131.08571	12.0
133.06581	2.9
133.10139	100.0
134.10490	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03950	2.5
55.01880	0.8
55.05519	4.2
56.77128	0.7
63.86869	0.8
64.05107	0.8
65.03961	0.9
65.81821	0.7
66.45146	0.8
67.05498	1.2
70.72381	0.7
71.13939	1.2
71.14271	1.3
79.05495	11.8
86.68042	0.7
91.05491	33.9
92.05812	1.0
93.07067	6.0
94.99146	0.7
95.04987	2.2
103.05466	7.1
105.07041	100.0
106.07354	1.9
107.08609	1.3
107.31734	0.8
113.01499	0.8
115.05476	9.5
116.06249	2.9
117.07037	10.6
118.07814	9.3
129.06999	1.1
131.08580	15.7
131.09518	1.3
133.06494	5.2
133.07565	1.9
133.10144	84.8
134.10500	2.0
147.99138	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02380	0.4
53.03947	2.3
55.05510	2.2
61.50184	0.4
65.03949	1.0
66.85156	0.4
67.05494	0.5
69.77988	2.4
77.03944	0.9
79.05493	8.2
91.05485	23.5
92.06294	0.7
93.07053	5.4
95.04972	2.1
103.05470	4.6
105.07037	57.4
106.07356	1.5
107.08595	1.7
111.48971	0.4
115.05463	6.6
116.06232	1.4
117.07018	9.9
118.07021	0.7
118.07814	10.2
122.69688	0.4
124.27784	0.4
129.06982	1.0
131.08578	7.5
133.10135	100.0
134.10489	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02365	0.7
53.03939	2.0
55.05519	3.1
62.90594	0.4
65.03941	0.5
67.05498	0.9
70.11011	0.4
71.43330	0.7
71.43695	0.5
77.03944	0.6
79.05498	8.9
81.45452	0.4
91.05483	22.1
92.05794	0.5
92.06325	0.5
93.07048	6.0
95.04976	2.5
103.05471	5.3
105.07032	55.6
106.07379	0.7
107.08590	1.6
108.82893	0.4
115.05457	8.2
116.06235	1.4
116.51636	0.4
117.07024	9.7
118.07015	0.8
118.07804	9.5
129.07001	0.7
131.08585	7.4
133.10133	100.0
134.10474	1.7
142.14595	0.4
153.70230	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	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05512	2.5
62.97594	0.6
67.05471	0.6
69.76692	3.2
69.77086	1.4
79.05509	7.6
91.05486	22.9
93.07056	6.4
95.04984	0.9
98.21422	0.8
103.05474	4.8
105.07040	59.9
106.07387	1.4
107.08603	1.4
115.05466	8.1
116.06277	1.6
117.07036	9.7
118.07832	10.1
131.08589	8.5
133.10143	100.0
134.10474	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	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
62.50237	0.5
70.95374	1.0
79.05485	1.5
89.03931	0.6
89.34306	0.6
91.05482	2.1
93.05793	1.5
95.04933	0.8
103.05472	1.3
104.04992	1.9
105.07034	9.4
108.95832	0.5
115.04671	1.1
115.05467	16.6
117.05769	55.9
118.06125	0.9
130.06535	6.4
131.07343	5.0
132.04462	2.4
132.08101	100.0
133.06520	2.1
133.08432	2.5
143.06056	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	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.43254	0.6
59.51548	0.7
66.19657	0.6
69.07077	6.3
71.00299	1.6
84.18369	0.6
86.09711	100.0
87.10032	1.0
111.54015	0.6
121.36729	0.8
121.37510	0.6
140.49049	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	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02381	6.4
53.03952	36.1
54.76506	0.9
55.01868	2.5
55.05509	2.6
56.16689	0.8
59.21070	0.9
65.03947	9.9
67.05506	3.0
70.85495	1.7
77.03500	1.4
77.03929	10.5
79.05499	100.0
80.05851	1.9
81.03432	3.4
90.34841	0.9
91.05487	24.5
92.05844	1.3
93.07040	2.9
95.04363	2.2
95.04975	45.2
103.05479	48.2
104.06300	2.4
105.03405	1.8
105.04528	14.0
105.07039	83.9
106.07399	1.3
113.15752	0.9
115.05460	3.1
117.07015	3.8
118.07819	3.3
131.02316	1.0
131.08589	4.8
133.02858	1.5
133.06508	34.9
133.07516	1.3
133.10135	32.0
134.10486	1.6
137.49095	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	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03938	3.5
55.01867	4.1
64.38129	1.0
66.04727	2.4
71.20139	2.8
79.05502	19.4
89.03955	1.7
90.04697	4.0
91.05486	6.1
95.04961	3.1
103.05478	17.1
105.07037	100.0
106.07364	1.4
107.04953	1.3
115.05433	5.8
118.04163	14.1
118.04948	1.8
131.04953	1.9
133.06502	94.1
133.10126	6.8
134.06868	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01590	2.0
51.02384	5.0
53.03951	30.3
55.01866	2.0
55.05513	3.1
57.70650	0.6
57.72246	0.7
65.03951	8.5
65.59195	0.6
67.05489	1.7
69.03434	0.7
69.23454	0.6
69.56689	4.7
77.03939	11.2
78.04713	0.9
79.05499	81.4
80.05830	1.4
81.03419	3.6
91.05486	29.4
93.07047	6.5
95.04975	41.8
98.21442	1.3
102.04663	1.3
103.05476	39.2
104.06270	1.9
105.03434	0.8
105.04536	12.9
105.07038	92.1
106.07360	1.6
107.08571	2.2
115.05460	6.4
116.06271	1.8
117.07020	8.6
118.07805	8.7
122.01516	0.6
129.07028	0.9
131.08580	8.3
132.52643	0.6
133.05478	1.0
133.06511	25.2
133.10139	100.0
134.10472	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03951	1.9
56.19837	0.4
59.38910	0.4
65.03951	1.6
67.97534	0.4
69.03441	0.6
70.03772	0.9
70.91430	1.2
72.08183	0.5
72.46898	0.4
84.08167	1.0
84.89780	0.4
85.04823	0.5
85.08474	2.8
86.09705	1.4
91.05488	100.0
92.05811	2.0
95.04964	1.6
103.05477	28.1
104.05051	0.4
104.05817	1.4
105.07049	1.4
106.78775	0.4
113.07961	2.8
114.09139	0.5
115.05466	10.9
116.06252	34.6
117.06532	0.5
128.06252	2.5
129.07013	15.3
130.07365	0.8
131.04932	4.2
131.06902	4.7
131.08572	68.3
132.04439	0.7
132.08058	0.8
132.08917	1.9
133.06508	1.1
137.78006	0.5
143.06053	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
57.03426	0.5
65.03949	1.1
66.54942	0.4
66.93868	0.5
68.47912	0.5
69.03446	0.8
69.20922	0.5
70.03765	1.1
71.43332	0.7
72.08144	0.7
84.08158	1.5
85.04829	0.9
85.08482	7.1
86.09726	1.5
90.90437	0.6
91.05489	100.0
92.05821	1.8
93.37754	0.4
103.05487	8.3
104.56387	0.5
105.07043	1.0
107.45328	0.4
109.95096	0.5
113.07964	2.9
115.05468	8.0
116.06253	26.8
120.01202	0.5
126.32444	0.4
128.06244	1.8
129.07016	15.0
130.07393	0.6
131.04898	2.2
131.06918	3.5
131.08577	83.2
131.16281	0.7
132.08063	0.8
132.08946	1.7
132.89886	0.5
133.06532	1.0
143.06084	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.03949	1.4
54.47456	0.5
58.51611	0.4
59.87562	0.4
65.03951	0.6
71.39833	1.1
75.72867	0.5
80.22147	0.5
85.08474	3.8
91.05489	100.0
92.05813	1.6
95.04981	0.6
103.05482	5.1
105.06992	0.8
113.07959	1.0
115.05458	7.7
116.06252	23.4
117.06542	0.8
124.35270	0.5
128.06241	1.6
129.07016	15.4
130.07451	0.5
131.04935	1.6
131.08577	82.3
132.08046	0.7
132.08920	1.5
137.57327	0.4
149.83904	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	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01593	0.5
51.02391	1.1
51.31008	0.2
53.03952	6.1
55.01866	0.5
66.53906	0.2
69.07073	0.7
69.61503	1.2
69.61910	0.5
72.93798	0.8
77.03927	1.9
78.03477	0.4
79.05496	0.3
81.03417	0.4
86.09706	4.1
90.90390	2.3
90.94833	0.5
91.05490	0.3
95.04968	7.5
96.04495	1.6
98.84506	0.2
104.04999	71.8
105.03413	1.7
105.04521	2.4
105.05318	0.9
105.07030	1.9
110.10423	0.3
115.05473	0.5
117.05780	1.3
132.04459	100.0
132.08136	1.3
133.04784	1.8
133.06499	0.8
133.10188	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54936	0.4
53.03958	0.9
53.66835	0.3
61.57034	0.4
65.03946	1.2
70.03790	0.5
71.60126	0.5
72.08167	0.5
74.79417	0.3
83.70215	0.3
84.08155	0.7
85.04843	0.7
85.08482	3.7
91.05488	100.0
92.05839	1.3
93.00677	0.3
97.55892	0.4
103.05477	6.2
105.07024	0.6
113.07967	0.9
115.05468	7.0
115.23174	0.3
116.06250	23.9
117.06586	0.7
128.06226	1.6
129.07018	12.9
130.07388	0.9
131.04901	1.0
131.08577	80.1
132.08054	0.7
132.08920	2.3
133.06523	0.6
143.06143	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	2.4
55.16616	0.7
65.38594	0.6
71.26081	1.1
86.09715	0.6
91.05486	100.0
92.05801	1.7
95.04965	2.3
103.05477	34.3
104.05846	3.1
111.53223	0.7
115.05458	7.4
116.06247	25.2
128.06287	2.0
129.07018	14.6
130.07848	0.7
131.05008	3.1
131.06955	28.4
131.08568	94.4
132.08977	2.6
143.06177	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
69.30984	1.7
69.31391	6.3
84.62979	0.8
91.05485	100.0
92.05801	1.2
95.04959	2.9
98.20757	1.3
103.05473	35.5
104.05796	5.2
105.04497	1.0
115.05446	6.3
116.06251	24.9
116.26555	0.9
117.18109	0.8
121.25581	0.9
128.06255	2.2
129.07011	13.0
131.04967	4.4
131.06917	48.4
131.08562	89.1
132.08929	2.4
133.06474	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
52.91343	0.1
53.03957	4.5
55.01883	0.3
63.02378	0.2
64.39507	0.1
69.03432	0.2
70.03780	0.3
70.11678	0.5
77.03948	1.1
81.03403	0.4
84.08141	0.2
85.04853	0.2
85.08484	1.0
87.65111	0.2
91.05502	3.9
91.06075	0.2
91.73472	0.2
95.04980	6.8
95.46133	0.1
98.21387	0.2
98.81296	0.2
102.04700	1.6
103.05482	100.0
104.05806	2.3
105.04521	2.0
107.90816	0.2
113.07964	0.7
115.05496	0.4
115.98837	0.2
116.06280	1.1
119.31816	0.2
129.07019	0.6
131.04947	13.4
131.06946	1.7
131.08559	3.2
132.05310	0.4
144.08133	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.2
51.02385	0.6
53.03950	4.5
53.55091	0.1
55.01880	0.2
66.31071	0.2
69.15906	0.2
77.03939	0.8
77.85956	0.2
81.03413	0.4
85.08455	0.4
89.11367	0.2
91.05488	4.4
95.04973	6.0
98.20793	0.5
102.04691	1.7
103.05476	100.0
104.05811	1.6
105.04536	1.9
113.07955	0.4
115.05464	0.3
116.06268	1.5
124.78371	0.2
129.07030	0.5
130.06599	0.2
131.04938	13.8
131.06947	1.4
131.08551	3.5
132.05179	0.2
132.08073	0.2
144.08057	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
50.56362	0.3
51.02384	0.8
53.03948	5.1
63.37967	0.2
64.27242	0.2
69.42069	0.5
69.42490	1.4
73.75613	0.2
77.03920	1.1
81.03390	0.4
85.08487	1.0
86.09694	0.2
91.05485	8.4
92.57938	0.2
95.04975	7.0
102.04700	1.6
103.05473	100.0
104.05794	3.2
105.04531	2.2
113.07943	0.8
115.05457	0.9
116.06252	3.1
128.06227	0.3
129.07031	0.9
131.04938	14.1
131.06895	7.7
131.08525	5.9
132.05281	0.4
144.08134	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
51.19570	0.2
52.50572	0.2
53.03699	0.3
53.03951	5.0
58.68328	0.2
67.39588	0.2
69.07076	0.3
70.03775	0.3
70.52741	0.8
72.08159	0.3
77.03938	0.9
81.03420	0.9
84.08131	0.5
85.08481	1.5
86.09734	0.3
91.05488	10.4
95.04978	6.8
102.04721	1.8
103.05478	100.0
104.05800	2.3
105.04546	1.8
113.07937	1.2
114.09171	0.2
115.05472	0.9
116.06262	3.3
129.07043	1.7
131.04942	14.3
131.06914	7.0
131.08549	8.4
132.08910	0.3
133.06462	0.3
133.10054	0.2
144.08057	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02380	0.3
51.75217	0.2
52.19300	0.1
53.03952	3.6
53.25474	0.2
55.01850	0.2
56.51376	0.1
61.43740	0.2
63.91087	0.2
65.03934	0.2
69.03426	0.3
69.07066	0.2
70.03761	0.4
70.71277	0.3
70.71624	0.2
71.33334	0.2
77.03925	0.9
81.03419	0.2
84.08157	0.2
85.04826	0.2
85.07996	0.1
85.08475	0.9
91.05483	10.1
95.04373	0.2
95.04974	4.7
102.04678	1.1
103.05475	100.0
104.05808	1.9
105.04536	1.2
113.07951	1.0
115.05462	1.0
116.06245	3.3
128.06273	0.3
129.06996	1.6
131.04938	10.1
131.06976	1.8
131.08557	7.8
132.05321	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61115	0.2
51.02386	0.4
53.03951	3.9
55.01870	0.3
65.09923	0.2
70.76173	0.3
70.76487	0.3
73.88138	0.2
74.10587	0.2
77.03912	1.2
81.03419	0.2
85.08484	0.4
87.18702	0.2
91.05486	5.1
95.04979	4.4
102.04682	0.9
103.05473	100.0
104.05799	2.0
105.04539	1.5
107.51645	0.2
112.84547	0.2
113.07949	0.4
115.05463	0.6
116.06247	1.6
129.07019	0.6
131.04941	10.4
131.06906	3.0
131.08536	3.7
132.05316	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	130.0654
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03956	1.3
53.99546	0.2
55.94012	0.2
57.06581	0.3
62.83581	0.2
69.03403	0.3
71.11215	0.6
77.03929	0.6
84.04468	0.3
84.08135	1.1
88.27178	0.2
89.65453	0.2
95.04987	1.9
102.04701	0.4
103.05476	14.1
105.04529	0.7
112.07607	0.8
113.10537	0.2
128.04984	2.4
130.06543	100.0
131.06915	1.9
146.06050	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	130.1593
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.03945	2.6
56.05031	2.3
57.07082	74.8
63.65070	1.2
67.24179	1.2
69.03436	21.1
69.07054	2.6
69.65356	5.2
69.65761	2.2
70.06585	2.8
71.05000	1.7
71.40441	1.0
72.08126	1.1
74.09724	49.2
77.03951	1.3
82.06587	1.3
84.04512	10.4
84.08150	42.7
89.80192	1.2
91.05486	1.9
95.04977	1.7
103.05477	35.9
112.07618	52.1
130.05037	2.0
130.06541	44.8
130.08649	15.7
130.15927	100.0
131.04958	2.6
131.06927	1.4
131.08592	1.8
131.16292	2.8
131.94673	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03954	2.8
55.84747	0.5
55.85004	0.5
63.06314	0.5
68.21189	0.5
70.85291	1.1
70.85641	0.7
77.03926	0.8
78.04717	2.3
78.07771	0.5
81.94903	0.5
85.08466	1.9
91.05489	16.4
95.04977	5.0
102.04712	1.2
103.05474	38.9
104.06277	4.5
105.04514	1.4
112.58022	0.4
113.07973	1.1
115.05461	2.1
116.06260	4.2
129.07027	3.2
131.04938	100.0
131.08568	11.5
132.05806	4.2
132.08847	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.2
51.02386	0.5
53.03953	3.3
56.96548	0.3
65.99982	0.2
69.03433	0.5
69.24490	0.4
69.24904	1.6
70.03781	0.5
72.08155	0.3
77.03934	0.7
77.25023	0.2
81.03422	0.5
84.08160	0.3
85.08469	1.0
86.09711	0.6
90.90382	0.2
91.05487	2.2
95.04974	5.0
98.21555	0.3
102.04697	1.0
103.05476	100.0
104.05061	0.3
104.05788	1.8
105.04497	1.4
113.07943	1.3
114.25626	0.2
116.06233	0.5
126.31059	0.2
127.07825	0.2
129.07005	0.4
131.04941	11.1
131.06891	1.2
131.08508	1.6
132.04462	0.3
132.08076	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.3
51.02391	0.5
53.03952	3.3
55.01878	0.3
65.03937	0.1
69.03424	0.2
69.55097	1.1
70.03768	0.4
72.08160	0.2
77.03930	0.6
81.03435	0.3
84.41787	0.1
85.04812	0.2
85.08477	0.9
89.03847	0.1
91.05485	13.9
92.05841	0.3
95.04973	5.0
96.05318	0.2
102.04682	1.0
103.05474	100.0
103.95253	0.2
104.05802	2.5
105.04502	1.4
112.31219	0.2
113.07940	0.9
114.09235	0.2
115.05469	1.5
116.06245	4.6
125.63470	0.1
128.06218	0.3
129.07002	2.0
131.04936	10.0
131.06914	4.8
131.08553	8.2
132.05304	0.2
132.08089	0.2
133.06526	0.2
149.89906	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	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02385	0.2
51.83801	0.1
53.03952	1.6
56.05037	0.2
66.62257	0.2
69.03436	2.1
70.06580	0.4
71.04955	0.2
71.10719	0.4
77.03921	0.4
78.39866	0.2
81.03381	0.2
82.80611	0.2
84.04505	1.5
84.08146	5.0
91.05487	3.4
95.04970	2.0
102.04691	0.4
103.05473	13.1
105.04510	0.6
112.07607	4.9
115.05489	0.5
116.06252	0.9
128.04977	2.0
129.05695	0.2
129.06961	0.9
130.06532	100.0
130.15950	0.2
131.06924	2.1
131.08559	4.1
146.06003	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	130.0654
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02380	0.2
53.03956	1.2
57.07062	0.2
63.99678	0.2
69.03433	1.6
69.44160	1.6
70.06593	0.3
74.06074	0.4
74.11376	0.2
74.89201	0.2
77.03906	0.6
80.29471	0.2
84.04519	1.2
84.08146	4.1
91.05479	0.6
95.04972	2.0
95.26091	0.2
99.22292	0.2
102.04672	0.5
103.05476	11.7
104.05815	0.3
105.04501	0.5
107.22594	0.2
112.07613	3.9
120.90072	0.2
128.04976	2.4
129.07002	0.3
130.06534	100.0
131.06883	1.6
131.08530	0.6
146.06032	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	130.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
52.08947	0.1
53.03952	1.4
54.56201	0.2
54.77201	0.2
55.14554	0.1
56.05021	0.3
57.07082	0.2
60.83151	0.2
69.03434	2.1
69.07063	0.3
69.48119	1.2
70.06602	0.5
77.03935	0.6
82.06605	0.2
84.04505	1.0
84.08147	5.3
91.05482	0.5
95.04973	2.1
99.03028	0.2
102.04688	0.6
103.05472	15.6
105.04508	0.6
107.39603	0.2
112.07609	4.4
128.04973	2.3
130.06535	100.0
130.15979	0.2
131.04935	0.7
131.06889	1.7
131.08566	0.4
131.96362	0.1
146.06006	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	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.04720	0.2
51.02400	0.3
53.03960	1.4
55.69407	0.2
69.03446	1.0
70.06577	0.2
71.17441	0.5
77.03922	0.3
84.04501	0.8
84.07681	0.4
84.08146	3.3
88.07628	0.5
91.05484	0.3
93.93732	0.2
95.04947	1.7
100.37395	0.2
102.04665	0.5
103.05475	11.9
105.04520	0.3
112.07608	2.6
128.05011	1.8
129.07021	0.3
130.06535	100.0
131.06886	1.9
146.06010	1.3
146.42006	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	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
51.02401	1.8
53.03954	66.0
55.01876	18.8
55.05508	2.9
57.03442	12.8
57.07055	1.7
67.01855	4.1
69.03445	15.1
71.01349	1.8
71.04994	30.8
71.18169	3.4
72.04501	1.9
81.03423	100.0
82.03754	2.1
83.01343	7.9
85.02913	4.1
97.02890	12.7
97.77441	1.7
99.04469	23.8
103.15234	1.7
109.02888	50.7
109.03586	3.7
123.79590	1.6
127.03928	83.7
128.06244	3.0
128.10710	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	127.0392
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
51.02386	1.9
53.00306	2.3
53.03954	50.0
54.04292	1.1
55.01451	1.0
55.01876	13.2
55.05508	1.7
56.57915	0.9
57.03441	9.4
58.41962	0.9
62.59661	0.9
67.01865	4.3
69.03440	13.1
69.50629	6.6
69.50956	1.8
71.01368	1.4
71.05002	21.1
81.03426	100.0
82.03730	1.2
83.01334	8.6
83.04986	1.5
85.02921	3.2
90.38978	0.8
97.02901	22.5
98.21556	1.8
99.04461	19.1
109.02890	59.5
123.70676	0.9
125.02338	1.7
127.03932	62.4
128.04234	1.5
128.06223	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	130.0654
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.01601	0.2
51.02367	0.2
51.89400	0.1
53.03950	1.7
53.26564	0.1
55.01879	0.1
56.05032	0.5
57.07074	0.2
61.96092	0.1
66.92416	0.2
69.03078	0.3
69.03432	3.7
69.07059	0.6
69.87107	0.4
69.87521	0.3
70.06587	0.4
71.04999	0.4
74.09707	0.2
77.03944	0.7
81.03386	0.2
82.06602	0.2
84.04510	2.6
84.08148	11.4
91.05491	3.3
91.06076	0.2
95.04968	2.1
102.04673	0.4
103.05475	16.4
105.04519	0.6
112.07615	8.8
113.08003	0.2
115.05472	0.4
115.79124	0.1
116.06225	0.4
128.04973	2.3
129.07066	0.7
130.06535	100.0
130.15910	0.4
131.04956	0.6
131.06905	2.1
131.08559	2.7
146.05983	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	127.0392
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03952	3.5
55.01878	2.2
55.05511	0.3
56.96560	0.3
67.01856	0.5
68.99767	0.3
69.03426	0.5
70.75205	0.5
70.75568	0.5
71.05004	1.4
73.51736	0.2
81.02985	0.3
81.03424	4.9
84.08110	0.2
85.02915	0.3
85.13715	0.3
97.02883	0.4
99.04465	0.9
109.02887	8.8
127.03924	100.0
128.04272	1.5
136.58665	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
51.68787	0.2
53.03947	2.6
55.01870	1.8
67.01864	0.3
67.93582	0.2
68.99787	0.3
69.03422	0.3
69.80457	1.5
71.04997	0.6
75.90009	0.3
77.15048	0.2
81.03419	2.6
81.07054	0.3
99.04441	0.3
109.02889	6.0
115.51987	0.3
120.72365	0.3
127.03924	100.0
128.04262	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	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03926	2.3
55.01870	4.6
55.05514	21.7
64.01378	2.2
65.03931	8.4
67.05502	14.8
69.03419	9.4
69.07058	6.4
70.84172	4.6
70.84513	2.4
71.01339	3.0
79.05058	3.2
79.05495	49.3
80.05001	3.4
80.05807	2.6
81.07062	25.3
82.06611	2.3
83.04962	6.7
91.05483	88.4
92.06290	3.1
95.04961	4.1
95.08100	2.7
95.08609	19.5
97.02892	55.9
97.06509	6.1
105.07040	41.8
107.04922	2.8
107.08599	100.0
108.04490	2.8
109.06538	18.3
119.06053	10.1
121.84514	2.5
121.97311	2.0
125.02370	11.9
125.04314	11.0
125.05978	6.2
125.07977	3.1
125.09619	27.7
126.05504	6.3
126.09164	2.6
135.47115	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	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03960	1.4
55.01877	44.9
55.05260	1.2
55.05517	18.5
56.02234	0.8
57.03436	3.3
64.48680	0.7
65.03940	1.8
67.05513	3.6
69.03429	6.2
69.07078	2.1
70.76310	1.4
70.76650	0.9
71.01374	0.9
76.46550	0.8
79.05499	24.6
81.07052	7.6
82.97353	0.7
83.04988	100.0
91.05495	7.1
95.04959	1.7
95.08623	1.9
96.05746	3.6
97.02905	12.0
97.03998	0.8
97.04834	1.0
97.06543	2.9
102.02282	0.8
105.07034	2.9
107.04945	0.8
107.08590	10.7
108.04543	0.9
109.06536	2.0
110.03681	0.8
120.02007	2.4
125.02374	3.1
125.04348	1.8
125.06001	2.8
125.07088	1.5
125.09641	37.2
126.05556	1.1
140.27890	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28028	0.2
70.62277	0.2
71.00864	0.5
82.01466	0.4
82.99841	2.8
83.01522	0.7
100.02483	1.3
101.00892	27.8
101.02562	2.4
102.00996	0.6
102.02251	0.6
102.48433	0.2
118.03535	0.4
119.01933	100.0
120.02007	1.7
121.02392	0.4
124.02478	0.3
124.03960	0.2
133.03502	0.5
137.02969	27.9
138.03088	0.7
142.03513	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.7
57.03431	0.4
58.99865	1.9
69.03426	0.4
69.84282	0.9
70.99863	2.7
73.02895	0.2
77.00912	2.1
79.03788	0.4
80.05019	1.4
81.05359	1.2
82.01432	0.4
82.05341	0.3
82.99834	1.8
83.01523	0.8
84.01192	0.4
89.00900	1.6
95.01945	0.5
96.04480	0.7
97.02905	0.3
97.04818	0.4
100.02489	1.6
101.00883	27.3
101.02560	3.7
101.76317	0.2
102.00963	0.4
102.02232	1.4
103.00644	0.3
107.01938	0.3
107.03260	0.7
109.04010	0.3
110.04787	3.6
115.02456	0.3
118.03528	1.0
119.01926	100.0
120.01978	2.4
120.03281	0.6
121.01651	0.4
121.02408	0.4
124.02445	0.7
124.03963	5.0
124.05920	2.9
125.07111	1.8
133.01665	0.5
133.03476	1.1
137.02962	27.7
138.03079	0.7
142.03519	4.9
143.03635	0.2
144.03189	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14629	0.2
56.82107	0.2
56.96564	0.5
58.99865	0.3
60.00641	0.3
70.10386	0.8
70.99850	0.2
80.05033	0.4
82.99843	1.6
83.01539	0.4
98.21445	0.2
100.02501	1.0
101.00890	25.4
101.02568	1.4
102.00983	0.6
102.02238	0.5
109.34225	0.2
118.03516	0.2
119.01930	100.0
120.01989	2.4
121.02360	0.4
124.02457	0.5
124.03972	1.0
124.05936	0.9
133.03477	0.8
137.02965	27.6
138.03123	0.4
142.03516	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	124.0759
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03945	5.5
55.05510	5.7
56.05020	0.8
57.07064	0.8
61.04573	0.7
65.03951	1.1
67.05479	2.0
68.05029	4.6
68.05824	1.0
69.03397	1.0
69.07057	2.8
70.74580	2.1
71.01348	0.7
78.03447	1.7
79.05495	49.0
80.04564	0.9
80.05018	17.9
80.05815	2.1
81.05378	2.7
81.05795	48.1
81.07056	23.4
82.02946	1.6
82.06129	0.9
82.06577	2.9
82.07387	7.6
83.04951	1.5
84.08491	0.7
94.06570	13.1
95.04994	3.8
96.04498	19.0
96.05267	1.4
96.08131	77.1
97.02887	7.6
97.04861	0.9
97.08463	1.1
105.04536	0.9
106.06554	18.1
107.04947	2.6
108.01675	0.7
109.05264	2.6
112.03978	9.2
119.01925	2.8
124.03964	54.2
124.05912	6.4
124.07594	100.0
124.12045	1.3
125.02338	2.1
125.04345	1.3
125.05985	1.2
125.07943	1.5
125.09567	0.7
128.04921	0.7
140.03441	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99861	0.2
60.00645	0.1
61.81773	0.1
71.00600	0.2
81.40991	0.1
82.01456	0.2
82.99834	1.8
83.01522	0.5
90.77405	0.1
95.25363	0.1
96.04472	0.3
100.02481	1.0
101.00886	23.4
101.02560	1.3
102.00948	0.6
102.02239	0.4
106.21359	0.1
111.00468	0.1
112.03952	0.2
117.09557	0.1
118.03522	0.4
119.01927	100.0
120.02003	2.7
120.03224	0.1
121.02346	0.4
124.02470	0.5
124.03950	1.0
133.03476	0.8
137.02962	30.2
138.03001	1.0
139.03409	0.2
142.03510	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03947	6.9
55.01876	1.6
55.05511	18.9
57.03448	0.8
64.13376	0.6
65.03654	0.5
65.03945	3.8
67.05507	77.9
68.05827	1.1
69.07069	1.0
70.57860	1.5
73.90311	0.5
76.81693	0.6
77.03938	0.9
78.03459	1.6
79.05500	10.2
80.04639	0.3
80.05020	21.2
80.06287	1.5
81.03420	8.6
81.07063	22.4
83.04990	1.0
91.05482	4.8
93.07050	16.8
95.04973	55.9
95.08610	56.4
96.04503	8.6
96.05280	1.2
96.08142	1.2
96.08942	0.5
100.02499	3.1
103.05462	1.2
105.03407	0.6
105.04527	1.7
105.07034	3.9
106.02917	1.3
107.04987	1.1
108.05746	4.8
108.30528	0.5
112.03960	1.1
118.03550	1.5
123.04475	5.8
123.05563	46.2
123.08070	100.0
123.11668	3.6
124.03954	5.7
124.05944	0.6
124.07572	2.0
124.08441	2.3
137.02928	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63239	0.6
51.02381	0.8
53.03951	5.8
55.01882	1.5
55.05523	5.3
57.07079	4.6
65.03941	3.2
67.05515	21.5
69.07069	2.5
71.59212	0.8
77.03933	1.1
78.03457	2.0
79.05052	1.3
79.05501	19.1
80.05025	34.8
81.03446	3.3
81.05804	3.1
81.07065	100.0
82.01462	1.1
82.07397	1.6
90.27496	0.6
93.07050	2.7
94.06609	1.4
95.04985	17.2
95.08614	15.4
96.04501	13.7
96.08147	4.3
100.02499	4.0
105.03367	0.8
105.04528	1.6
105.07030	1.1
106.02919	1.8
106.06566	1.2
108.05720	1.9
109.71830	0.6
112.03972	1.5
118.03527	2.2
121.10168	1.2
123.04476	8.3
123.05564	78.6
123.08072	17.8
123.11714	18.1
124.03970	12.8
124.05914	0.9
124.07610	5.7
140.03394	0.9
143.94705	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
52.88974	0.8
53.03939	5.5
55.01867	2.3
55.05515	4.3
57.07074	3.4
60.39559	0.8
65.03943	2.7
67.05169	1.5
67.05506	21.0
67.32372	0.8
68.05058	1.1
69.07057	1.8
71.58801	1.1
77.03934	0.9
78.03445	1.4
79.05495	18.0
80.05020	42.0
81.03419	5.9
81.05797	3.1
81.07062	75.3
82.07396	1.0
93.07040	2.5
94.06568	1.2
95.04977	23.8
95.08611	14.5
96.04498	17.1
96.08142	6.3
100.02496	4.6
105.03397	1.2
105.04482	1.5
105.07037	1.3
106.02928	3.3
106.06556	1.7
108.04447	1.0
108.05732	1.8
112.03973	2.0
118.03523	4.0
123.04454	15.5
123.05554	100.0
123.08047	23.6
123.08999	1.6
123.11705	15.8
124.03970	15.9
124.04845	1.7
124.05862	2.0
124.07597	8.3
125.25997	0.8
140.03421	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03951	11.1
55.01859	2.5
55.05262	1.6
55.05515	25.1
57.07060	2.6
59.38898	0.9
65.03945	5.6
67.05509	96.4
68.05834	1.4
69.03412	3.4
69.07056	1.9
70.57931	1.9
70.58263	1.6
77.03929	1.0
78.03472	1.9
79.05495	20.0
80.05025	24.5
80.06281	1.6
80.06721	0.9
81.03430	4.3
81.05806	3.5
81.07061	46.1
82.01456	1.3
91.05483	4.6
93.07054	18.9
94.06577	1.2
94.07906	0.9
95.04976	59.7
95.08613	100.0
96.04501	9.5
96.05068	1.3
96.05263	0.9
96.08131	7.2
96.08872	1.9
100.02493	3.1
103.05481	2.2
105.04526	2.3
105.07031	11.7
106.02914	1.2
106.06556	1.5
107.04965	4.1
108.05745	24.0
108.09409	0.9
111.05518	1.0
112.03983	0.9
118.03530	1.9
119.01944	1.8
121.06525	3.2
121.10140	0.9
123.04457	12.1
123.05559	57.2
123.08073	69.0
123.11716	13.0
124.03973	7.5
124.07601	8.2
124.08395	1.9
125.88544	1.0
130.97760	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03950	9.0
55.01874	1.6
55.05514	18.6
58.13719	0.8
65.03933	3.3
67.05508	81.0
68.05819	1.1
69.03435	1.3
69.07069	0.9
70.87868	1.3
70.88194	1.4
71.48447	0.7
77.03942	1.5
78.03470	1.6
79.05495	12.0
79.05913	1.5
80.05022	27.5
80.06260	1.2
81.03423	7.9
81.07059	28.5
82.01463	1.0
83.04974	0.9
91.05491	6.2
93.07049	18.5
95.04974	62.4
95.08611	58.0
96.04504	9.9
100.02492	5.5
103.05402	1.0
105.03388	0.9
105.04534	2.6
105.06413	1.0
105.07009	4.9
106.02901	2.0
107.04977	1.6
108.05747	8.2
112.03965	1.8
118.03575	1.8
119.01954	1.3
121.06525	1.1
123.04475	8.3
123.05559	59.0
123.08073	100.0
123.11673	3.9
124.03957	7.1
124.05963	1.0
124.07593	0.8
124.08427	2.1
129.10590	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	123.0807
Annotation	2-Ethylphenol
Peak:m/z	Relative Intensity
51.02386	1.2
53.03951	11.4
55.01877	1.4
55.05524	1.5
65.03944	1.3
67.05168	0.7
67.05513	11.3
69.03448	0.3
70.97755	1.0
77.03935	2.9
78.03463	0.6
79.05495	4.4
80.05029	9.5
80.06272	0.7
81.03423	2.1
81.07064	6.2
82.01459	1.0
91.05489	0.5
93.07063	1.3
94.57032	0.4
95.04977	100.0
95.08615	9.9
96.04510	3.3
96.05291	1.6
100.02499	2.3
103.05516	0.4
105.03421	0.7
105.04526	5.7
105.07029	4.0
106.02949	0.5
107.04966	2.2
108.04987	0.6
108.05743	13.5
112.03951	0.5
118.03534	1.4
119.01949	0.6
121.06517	2.3
123.04450	21.8
123.05569	20.2
123.08077	24.2
123.11733	1.0
124.03967	3.0
124.04751	0.6
124.07606	0.4
124.08425	0.5
135.05559	0.3
137.02979	0.5
140.03392	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	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
53.03946	0.8
56.96559	0.2
57.68716	0.1
68.05029	0.6
70.83336	0.2
70.83662	0.2
73.03546	0.1
78.03453	3.0
79.04242	0.3
80.05018	43.5
81.05357	0.4
82.01451	1.9
82.99862	0.1
84.14777	0.1
84.72880	0.2
88.02676	0.2
95.04987	0.5
95.06104	0.5
96.04492	12.5
100.02487	6.7
100.38289	0.1
101.00882	2.8
101.02637	0.2
105.04523	0.4
106.02919	3.0
118.03528	2.9
119.01923	10.0
123.05554	100.0
124.03949	2.6
124.05891	1.0
129.84288	0.1
132.96449	0.1
137.02963	2.8
142.03491	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	123.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.2
53.03947	1.0
53.04185	0.2
56.96576	0.3
58.99910	0.1
67.05522	0.1
68.05038	0.4
70.29356	0.4
78.03465	3.2
79.04233	0.3
80.05024	43.8
81.05380	0.4
81.96245	0.1
82.01449	1.6
95.04976	0.5
95.06099	0.4
96.04501	12.0
98.20809	0.2
100.02493	5.8
101.00889	2.2
101.02613	0.2
105.04541	0.3
106.02910	2.8
118.03538	2.3
119.01931	7.7
121.77966	0.1
123.05561	100.0
124.03962	2.7
124.05906	1.0
137.00749	0.2
137.02979	2.3
142.03519	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02369	0.9
51.31813	0.6
53.03951	9.6
55.01869	4.3
55.05260	0.9
55.05515	15.9
57.03428	0.9
57.07065	2.6
65.03947	5.0
67.05506	59.3
68.05826	0.7
69.03436	1.4
69.07083	1.6
71.58836	1.1
71.59207	0.7
76.57295	0.6
77.03912	1.4
77.52782	0.7
78.03461	2.4
79.05498	26.6
80.05023	47.0
80.06286	1.1
81.03426	4.0
81.07061	60.2
82.01456	1.6
82.07367	0.7
84.99347	0.6
91.05483	3.5
93.07049	11.1
95.01369	1.1
95.04976	50.8
95.08610	56.7
96.04501	16.9
96.05178	0.8
96.08163	0.8
100.02493	9.2
103.05469	1.5
105.03404	1.2
105.04515	4.1
105.07035	9.2
106.02925	3.4
107.04966	2.3
107.74786	0.6
108.05741	14.8
112.03957	2.2
114.06498	0.6
118.03523	4.7
119.01928	2.1
121.06516	2.4
123.04466	16.4
123.05555	100.0
123.08069	65.1
123.11706	10.7
124.03954	13.4
124.05890	1.6
124.07602	1.8
124.08405	1.3
124.11205	1.0
137.02954	0.9
137.50206	0.7
140.03452	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	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55764	0.4
53.03940	2.6
55.01874	0.7
55.05496	0.3
56.96569	1.6
58.22268	0.5
65.03957	0.6
67.05511	2.5
68.05022	0.5
69.03439	0.4
70.82150	0.6
70.82496	0.5
72.51283	0.3
74.71951	0.3
77.03943	0.9
78.03458	3.0
78.06374	0.4
79.05495	1.4
80.05022	45.8
81.03426	1.0
81.07059	2.9
82.01440	2.4
95.04974	10.9
95.06028	0.4
95.08617	0.5
96.04497	14.1
100.02493	10.3
101.00892	3.9
102.95934	0.3
105.03403	0.5
105.04520	0.8
106.02897	3.1
112.07636	0.5
118.03526	5.3
119.01930	18.6
123.04535	5.0
123.05560	100.0
123.08038	1.5
123.11683	0.5
123.36673	0.4
124.03961	4.5
124.05920	0.9
137.02959	6.6
142.03525	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	123.0444
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01616	0.3
51.02380	1.0
53.03951	10.9
55.01874	1.6
55.05519	0.9
57.07079	0.4
60.38831	0.2
65.03947	0.8
67.05509	7.3
68.05033	0.3
69.03460	0.2
70.13246	0.4
70.13655	0.7
77.03941	2.0
78.03467	0.8
79.05500	2.7
80.05023	13.5
81.03419	1.5
81.07061	6.3
82.01452	0.5
93.07041	0.8
94.04256	0.2
95.04974	100.0
95.08603	4.7
96.04494	4.0
96.05307	1.0
98.21555	0.2
100.02486	2.0
103.05422	0.2
105.03421	0.3
105.04526	5.8
105.07033	1.4
106.02908	0.5
107.04951	0.7
108.05743	4.0
109.34081	0.2
112.03989	0.4
116.56632	0.2
118.03539	1.2
119.01932	0.3
121.06503	0.7
123.04430	19.6
123.05546	28.0
123.08060	9.2
123.09048	0.4
123.11705	1.0
124.03963	2.8
124.05950	0.3
124.07585	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	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55764	0.4
53.03940	2.6
55.01874	0.7
55.05496	0.3
56.96569	1.6
58.22268	0.5
65.03957	0.6
67.05511	2.5
68.05022	0.5
69.03439	0.4
70.82150	0.6
70.82496	0.5
72.51283	0.3
74.71951	0.3
77.03943	0.9
78.03458	3.0
78.06374	0.4
79.05495	1.4
80.05022	45.8
81.03426	1.0
81.07059	2.9
82.01440	2.4
95.04974	10.9
95.06028	0.4
95.08617	0.5
96.04497	14.1
100.02493	10.3
101.00892	3.9
102.95934	0.3
105.03403	0.5
105.04520	0.8
106.02897	3.1
112.07636	0.5
118.03526	5.3
119.01930	18.6
123.04535	5.0
123.05560	100.0
123.08038	1.5
123.11683	0.5
123.36673	0.4
124.03961	4.5
124.05920	0.9
137.02959	6.6
142.03525	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01870	2.3
56.96561	1.2
57.03445	4.9
58.99861	2.3
59.94271	0.6
61.02922	2.4
61.50829	0.5
67.05515	0.7
68.02650	0.7
68.05000	0.6
69.03432	3.3
70.20116	2.6
70.99855	1.6
73.02909	2.7
74.42528	0.6
77.00907	1.7
78.03460	7.3
78.52959	1.8
80.05023	42.6
80.52709	0.6
81.01914	1.8
81.03417	2.1
81.05346	1.0
81.40730	0.6
81.53493	0.7
82.01449	20.8
82.02690	0.6
83.01544	1.0
85.02908	2.3
85.53750	0.9
86.52697	0.8
87.01919	1.0
88.02694	2.1
88.26067	0.5
89.00909	0.7
93.01891	1.2
93.53505	0.8
95.01977	0.7
95.04970	3.9
96.03889	1.0
96.04495	14.1
97.02895	3.5
98.52686	1.2
98.97612	0.7
100.02489	70.5
101.00887	12.7
101.02534	2.9
102.02357	2.2
103.02463	0.9
106.02919	11.7
109.02887	0.9
111.02939	1.9
113.00903	1.3
113.53179	0.8
114.04021	0.7
115.02450	1.7
118.01141	1.6
118.03534	31.7
119.01929	38.1
119.03665	1.3
120.03354	0.9
121.01653	0.9
123.05560	100.0
124.02512	1.0
124.03970	7.1
124.05900	1.4
131.00182	0.6
131.01933	7.1
132.02081	0.8
133.01649	0.9
133.03490	1.6
137.02972	8.3
138.04057	0.6
142.03539	4.9
143.01897	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	122.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.4
53.03952	15.5
54.04275	1.4
55.01858	1.4
55.05512	1.2
65.03943	7.3
66.04278	1.6
67.05511	100.0
68.05843	1.0
71.59071	0.9
77.03928	3.4
79.05499	13.4
80.05035	14.4
80.05817	2.2
80.20063	0.8
81.03432	3.0
81.07063	10.5
82.01454	1.1
89.75681	0.7
91.05490	1.1
92.05813	2.7
93.05778	4.7
93.07048	1.8
94.06578	62.2
94.07357	3.8
95.04984	24.7
95.06895	1.2
95.08603	3.2
96.04488	5.4
96.05360	0.9
100.02483	1.9
104.05785	1.0
105.03421	2.8
105.04501	5.3
105.07060	1.2
106.07374	5.0
107.04993	1.9
107.07375	1.5
112.04037	1.1
112.04792	1.6
118.03535	1.8
118.86573	0.8
122.03232	5.2
122.04276	1.6
122.06049	43.3
122.07024	4.4
122.09671	2.1
122.10490	3.2
123.04469	3.3
123.05563	30.8
123.06331	1.5
123.08049	5.9
123.11715	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	122.0603
Annotation	n-Phenylformamide
Peak:m/z	Relative Intensity
51.02390	1.4
53.03953	16.7
55.01879	1.4
55.05511	1.2
56.01391	0.8
61.95403	0.5
65.03946	9.1
66.04282	8.4
67.05511	100.0
68.05843	0.8
70.47633	1.9
70.47978	0.6
72.62311	0.6
77.03928	2.4
78.03481	1.0
79.05495	12.7
80.02186	0.6
80.05026	8.8
80.05814	1.8
80.93066	0.6
81.03423	2.5
81.04535	0.8
81.07063	3.7
89.31882	0.6
92.05833	1.3
93.05804	3.3
93.07033	1.4
94.06575	63.3
95.04976	20.5
95.08628	2.7
96.04472	3.7
100.02493	1.5
101.60537	0.7
104.05811	1.0
105.03406	3.2
105.04514	4.7
106.02907	0.7
106.07399	2.1
107.04964	1.6
107.07377	0.8
108.05778	1.4
112.04097	0.8
112.04765	3.2
118.03529	1.0
121.04006	1.0
122.03220	13.1
122.04311	3.1
122.06044	42.9
122.06999	2.6
122.09660	2.3
122.10511	1.5
123.04469	2.0
123.05553	16.8
123.08084	5.8
123.11716	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	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.2
53.03699	1.1
53.03949	17.4
55.01624	1.1
55.01876	13.1
55.05516	9.6
59.81329	0.7
59.90724	0.7
65.03943	12.8
67.05508	34.7
70.88284	1.8
70.88663	1.7
76.96705	0.8
77.03934	3.2
78.04698	1.1
79.05498	92.0
81.03422	2.5
81.07084	1.4
82.01955	0.7
84.11140	0.9
85.96227	0.9
91.05488	46.0
92.05824	1.4
93.07050	100.0
94.06548	1.5
94.07384	1.8
95.04977	22.7
96.01629	0.8
103.05470	18.6
104.05820	1.3
105.04530	6.4
105.07037	24.1
106.07807	2.4
111.04448	2.9
119.08588	4.5
121.02875	12.7
121.03997	4.8
121.06514	53.0
121.10151	43.5
122.06058	1.9
122.06879	1.0
122.09694	0.9
123.08077	2.4
133.07617	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02376	1.1
52.61636	0.5
53.03954	10.3
53.51372	0.4
55.01880	0.9
55.05516	2.1
65.03945	4.9
67.05506	1.6
69.67230	0.6
71.59668	0.5
71.60084	0.5
77.03939	1.4
78.04696	0.5
79.05500	39.8
80.05018	0.5
80.05866	0.8
81.03424	1.0
81.07056	1.4
91.05488	21.6
93.03407	0.6
93.04522	0.5
93.07055	25.4
94.06566	1.2
94.07355	0.5
95.04979	12.6
95.05552	0.8
103.04789	1.1
103.05479	22.1
104.05804	0.7
105.04553	4.1
105.07040	100.0
106.07890	6.3
111.04482	0.6
114.41494	0.4
119.08590	14.1
121.02888	4.6
121.03997	1.3
121.05157	0.9
121.06532	12.2
121.10154	50.7
122.06043	1.4
122.10463	1.1
123.08080	12.1
133.07625	6.2
138.06790	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	2.2
53.03699	1.1
53.03949	17.4
55.01624	1.1
55.01876	13.1
55.05516	9.6
59.81329	0.7
59.90724	0.7
65.03943	12.8
67.05508	34.7
70.88284	1.8
70.88663	1.7
76.96705	0.8
77.03934	3.2
78.04698	1.1
79.05498	92.0
81.03422	2.5
81.07084	1.4
82.01955	0.7
84.11140	0.9
85.96227	0.9
91.05488	46.0
92.05824	1.4
93.07050	100.0
94.06548	1.5
94.07384	1.8
95.04977	22.7
96.01629	0.8
103.05470	18.6
104.05820	1.3
105.04530	6.4
105.07037	24.1
106.07807	2.4
111.04448	2.9
119.08588	4.5
121.02875	12.7
121.03997	4.8
121.06514	53.0
121.10151	43.5
122.06058	1.9
122.06879	1.0
122.09694	0.9
123.08077	2.4
133.07617	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02380	1.2
53.03947	14.2
53.36707	0.8
55.01870	4.3
65.03944	59.4
68.99801	2.4
69.32693	7.2
69.33112	2.6
71.01331	2.2
77.03937	2.3
79.01831	1.9
79.05497	40.3
81.07065	1.7
91.05487	25.5
93.03397	1.7
93.07052	30.2
95.04971	16.4
96.05248	1.3
103.05477	22.2
104.06310	1.4
105.04517	4.3
105.07036	100.0
106.07876	6.3
107.04960	21.2
108.87092	1.1
109.02914	1.7
111.04445	23.5
117.36897	1.1
119.08589	15.2
120.05700	0.9
121.02876	80.1
121.03989	26.1
121.06513	26.5
121.10149	51.6
122.07310	5.4
123.08049	12.3
131.86945	1.1
133.07573	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02366	2.3
53.03705	1.3
53.03949	23.3
55.01873	6.5
55.05512	6.2
65.03599	2.3
65.03942	46.0
67.05501	6.6
68.99796	1.4
69.24454	12.7
77.03922	4.3
78.04700	2.5
79.05495	61.9
81.03406	4.1
81.07056	2.6
82.89905	1.1
91.05483	68.7
92.05833	2.9
93.03406	3.1
93.07046	82.5
94.06566	1.4
94.07369	1.4
95.04972	35.2
103.05466	33.6
104.05788	1.9
104.89973	1.2
105.04525	10.4
105.07033	100.0
106.07873	7.8
107.04957	8.8
111.04440	14.8
119.08570	13.3
119.65758	1.3
121.02872	59.5
121.03991	20.4
121.06510	85.7
121.10143	55.8
122.03184	1.8
122.06066	1.6
122.07322	1.7
123.08069	10.0
133.07626	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02384	0.9
53.03951	12.3
54.06937	0.8
55.05517	8.5
55.14680	0.7
58.92109	0.7
65.03947	1.3
67.05511	1.9
77.03929	2.0
79.05499	35.2
80.06284	1.0
81.07066	5.6
91.05488	44.0
93.07052	100.0
94.07413	1.5
95.04979	12.7
103.05488	5.7
105.04517	4.3
105.07039	31.6
106.07839	3.3
113.78302	0.8
119.08585	6.1
121.06516	0.9
121.10152	21.7
123.08093	2.8
133.07590	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	Unknow
Peak:m/z	Relative Intensity
50.10427	0.9
51.02377	1.8
53.03705	1.0
53.03950	14.3
55.01860	2.3
55.05508	3.4
65.03946	36.2
66.04312	1.2
67.05508	1.7
68.99789	1.1
69.00989	0.9
69.47073	3.2
69.47491	4.0
71.01354	1.2
77.03925	2.6
78.04742	1.1
79.01833	0.8
79.05494	43.2
81.03409	1.7
81.07037	1.7
91.05489	33.8
93.03378	1.0
93.06474	2.1
93.07047	37.9
95.04978	15.6
103.04786	1.6
103.05468	25.3
105.04542	4.4
105.07035	100.0
106.07877	6.4
106.13707	1.0
107.04964	12.8
111.04451	15.5
119.08586	14.2
121.02870	57.7
121.03974	17.5
121.06519	25.8
121.10143	55.6
122.07264	4.0
122.10499	1.0
123.08077	13.3
133.07603	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02364	1.4
51.35130	0.7
53.03952	8.8
55.01862	2.0
55.05504	1.4
65.03946	12.7
66.11349	1.1
70.48407	2.4
74.02493	0.9
77.03922	2.9
79.05499	37.9
81.07062	1.4
91.04969	1.5
91.05489	23.0
92.05827	1.0
93.07050	29.0
95.04975	12.6
103.05471	22.5
105.04517	3.2
105.07039	100.0
106.07887	5.5
107.04949	9.2
111.04450	3.7
119.07779	1.4
119.08590	15.9
120.05726	0.8
121.02870	20.3
121.03976	5.0
121.06511	16.6
121.10146	52.8
122.07336	1.6
123.08073	11.8
133.07619	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03747	1.0
53.03954	13.5
55.01859	2.3
55.05513	11.3
55.90346	0.9
65.03947	8.1
67.05507	33.7
67.44026	1.1
71.58681	1.0
73.80109	0.9
77.03941	2.3
79.05498	100.0
80.05811	1.6
81.03422	1.3
81.07081	1.7
83.77490	0.9
91.05488	34.7
93.07050	97.3
94.06575	1.5
95.04974	17.0
103.05484	17.8
105.04524	6.5
105.07037	47.7
106.07832	4.0
111.04422	1.2
119.08582	7.7
120.04594	1.0
121.02873	5.8
121.03997	3.3
121.05085	0.9
121.06535	17.1
121.10149	53.8
122.06046	1.6
122.09673	1.4
122.10513	1.9
123.08089	5.5
124.31335	0.9
127.75046	0.9
133.07616	3.6
133.32826	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02381	1.1
53.03950	12.3
55.01885	1.6
55.05502	3.9
65.03944	8.9
67.05517	2.4
67.80748	1.2
69.65359	5.5
69.65763	1.8
77.03921	2.7
79.05499	55.9
80.05836	1.5
80.06265	1.0
81.03398	1.3
81.07063	3.2
91.05489	35.5
93.07053	67.4
94.27122	1.0
95.04976	14.6
96.53055	1.0
98.20705	1.0
103.05479	20.1
105.04536	5.0
105.07037	100.0
106.07895	7.2
111.04446	2.9
111.64725	0.9
113.30357	1.1
119.08597	13.1
120.05713	1.1
121.02872	15.1
121.03974	3.7
121.06536	4.9
121.10149	59.3
122.06023	1.2
123.08082	9.4
133.07642	5.8
139.46524	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	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.8
55.01859	2.6
55.05503	1.5
58.28915	0.6
59.62330	0.5
62.02932	0.6
63.95787	0.6
64.03861	0.7
65.03945	68.9
66.04290	1.2
70.16936	2.8
77.03941	0.8
78.04716	0.6
79.01867	0.9
79.05056	1.0
79.05498	16.8
81.03420	0.8
81.07053	0.7
91.05485	15.7
93.03410	12.0
93.07050	19.7
95.04978	8.0
98.03669	3.3
103.05479	9.1
105.04506	2.5
105.07037	29.7
106.07803	2.8
107.04914	0.9
111.04449	13.1
114.14551	0.6
119.08593	4.3
121.02856	100.0
121.03955	17.1
121.06501	12.9
121.09312	1.1
121.10149	16.6
122.03157	1.5
122.07180	0.8
123.08065	3.6
133.07596	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.82383	1.6
53.03957	21.1
54.29089	1.6
54.86331	1.8
55.01872	30.3
55.05507	2.5
60.56554	1.7
62.47533	1.9
65.03938	12.8
67.05514	1.8
69.79942	4.2
69.80355	7.5
77.03924	4.7
78.04714	3.5
79.05494	17.0
81.03427	3.1
91.05484	76.3
93.07050	44.0
95.04968	31.8
103.05471	41.5
105.04521	8.7
105.07047	15.7
106.04186	2.4
121.02879	71.7
121.03851	3.7
121.06512	100.0
121.10146	7.2
122.03653	7.2
123.08082	2.0
126.09969	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	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03354	0.6
52.59281	0.6
53.03946	3.0
54.64046	0.6
55.01854	2.5
56.96541	0.6
65.03942	69.4
66.04270	0.7
67.05478	1.0
68.99793	1.1
71.31238	1.2
79.05493	4.4
80.02666	0.8
88.37026	0.6
91.05484	9.9
93.03407	13.0
93.07040	8.4
94.06566	0.8
95.04954	3.0
98.03657	2.7
98.31976	0.6
103.05470	5.9
105.04527	1.1
105.07039	4.0
111.04443	15.6
121.02862	100.0
121.03958	19.7
121.06492	9.7
121.10191	3.4
122.03189	1.2
122.52306	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	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
53.15640	0.5
55.01885	3.1
55.05505	1.0
65.03944	73.0
66.04295	0.7
67.05503	1.4
71.58667	0.6
75.77862	0.4
77.03938	0.8
78.04736	0.6
79.01882	0.5
79.05495	18.4
81.03419	0.9
81.07059	0.6
91.05480	12.8
93.03406	12.8
93.03960	0.7
93.07047	18.3
94.06581	1.1
95.04980	7.1
98.03670	2.3
103.05473	7.5
105.04538	1.8
105.07034	28.1
106.07836	1.9
109.02885	0.7
111.04442	14.6
111.50412	0.5
119.08584	4.2
121.02898	100.0
121.04003	19.8
121.06502	11.2
121.10142	15.3
122.03216	1.6
123.08051	3.1
133.07672	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	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
51.83380	0.7
53.03950	5.7
55.01874	4.0
55.05512	1.4
65.03946	65.9
66.04284	1.0
67.05484	1.0
68.99778	2.3
69.50730	4.4
69.78409	0.7
71.01346	2.6
77.03928	1.5
79.01878	1.4
79.05495	16.8
81.65300	0.8
90.83917	0.8
91.05491	10.3
93.03394	1.8
93.07047	15.1
95.04974	6.6
98.20745	1.5
103.05487	11.2
105.04499	2.2
105.07036	36.4
106.07815	2.6
107.04963	5.0
111.04448	30.6
119.08570	5.0
121.02868	100.0
121.03973	34.3
121.06506	11.5
121.09315	1.3
121.10155	19.7
122.03234	1.0
122.07296	1.1
123.08087	4.8
133.07622	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03957	4.0
53.04163	0.6
54.04280	0.6
65.03944	5.4
67.05499	0.9
69.64660	4.4
78.04715	1.3
78.29743	0.6
79.05495	8.1
91.05486	100.0
92.05822	1.1
93.07059	5.2
95.04977	3.7
96.05311	1.2
102.04671	0.8
103.05475	12.9
104.05605	1.3
104.06255	14.6
105.04492	1.1
109.06499	1.3
115.05481	6.4
117.07027	23.2
119.04949	1.5
119.06844	2.4
119.08585	91.2
120.08164	0.9
120.08933	2.1
121.06514	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	120.02
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39879	4.1
53.03941	8.4
55.01882	5.5
55.05522	5.5
56.96571	91.4
57.03439	4.4
58.71114	3.7
58.99863	5.0
60.95857	6.4
62.90673	3.9
65.03944	9.7
67.05503	16.3
69.03434	61.7
70.03777	11.5
71.57330	5.2
71.95257	9.8
72.02882	4.4
77.00898	4.9
78.04711	6.6
78.52969	6.2
78.93156	5.2
78.95277	22.2
79.03082	5.8
79.52824	4.9
81.03426	15.4
81.07030	4.0
82.01443	15.2
82.01877	4.5
83.01528	10.2
84.01225	9.3
84.96024	4.6
86.52671	4.7
87.53488	4.4
88.03555	6.0
91.05495	10.8
92.04995	5.7
92.05794	5.4
93.01883	7.6
93.85707	4.1
94.03568	5.2
94.53311	4.2
95.04949	6.3
97.02176	6.6
97.02899	4.8
97.53838	5.5
98.97582	56.3
100.02499	49.3
101.00887	7.1
101.02541	33.4
102.01023	12.4
102.02234	51.6
102.96873	9.0
103.00652	5.3
103.02453	16.5
103.53727	8.6
105.02200	17.8
106.02666	21.2
106.04279	4.3
108.05146	7.9
109.03192	6.3
111.04440	37.9
115.02426	6.0
116.98615	43.8
117.53504	10.5
118.01111	11.4
118.03532	25.3
119.01930	62.5
119.03638	17.2
120.02007	100.0
120.03241	26.2
120.04479	7.0
120.05602	13.9
120.08039	5.3
120.97912	9.1
121.01687	17.8
121.03517	15.7
121.06544	4.3
121.15731	3.9
123.03242	9.4
124.97581	9.1
130.59740	4.6
131.01935	8.0
133.03502	7.7
133.98105	18.1
134.03642	7.5
134.99666	18.9
135.03249	5.1
137.02975	14.8
138.03021	31.9
138.98961	7.8
139.02715	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	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03944	3.0
54.04272	0.6
65.03944	9.7
67.05505	0.6
68.73564	0.4
69.56557	2.3
69.56988	0.9
78.04731	0.9
79.05496	4.4
91.05482	100.0
92.05016	0.6
92.05811	1.8
93.07051	3.7
95.04971	2.0
96.05301	1.0
103.05472	7.3
104.06255	7.5
105.04553	0.8
106.50722	0.5
109.06499	1.2
115.05452	4.8
117.07024	17.7
119.04951	14.2
119.06060	1.2
119.06818	3.5
119.08583	50.4
120.05629	0.6
120.08113	0.8
120.08939	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02378	0.6
53.03946	3.0
54.04283	0.6
56.19213	0.6
65.03943	5.2
70.73935	1.6
77.03928	1.4
78.04719	1.4
79.05508	7.2
79.28473	0.6
91.05488	100.0
92.05817	4.1
93.07043	5.9
95.04974	4.2
96.05339	1.2
102.04648	0.7
103.05480	11.4
103.52586	0.6
104.06264	10.8
105.04480	0.8
109.06497	0.8
115.05463	5.7
117.07027	23.3
118.07289	0.6
119.04996	4.3
119.06875	9.9
119.08589	84.9
120.08950	1.2
121.06469	0.9
131.06023	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	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
58.79860	0.6
65.03944	6.3
67.05511	0.8
70.75647	1.4
77.03940	0.8
77.97661	0.5
78.04707	1.2
79.05499	8.5
79.88199	0.5
91.05484	100.0
92.05811	3.1
93.07053	7.1
95.04976	3.6
100.38164	0.5
103.05476	10.9
104.06250	13.1
105.04483	0.9
109.06522	0.8
115.05466	5.4
117.07024	28.7
119.04970	4.2
119.06871	7.1
119.08585	96.5
120.08916	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	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62238	0.4
53.03942	2.7
56.04488	0.4
59.66174	0.4
64.39312	0.4
65.03946	6.8
70.88187	1.1
70.88544	0.4
78.04709	1.1
79.05500	6.1
81.03407	0.5
91.05486	100.0
92.05818	1.7
93.07050	5.7
95.04977	2.5
96.05309	1.1
102.04650	0.4
103.04790	0.6
103.05477	10.7
104.05610	0.6
104.06256	9.2
105.04512	1.0
107.41220	0.4
109.06503	0.9
115.05462	5.5
117.07021	28.7
119.04961	7.2
119.06110	1.0
119.06879	3.7
119.08587	68.3
120.08902	1.1
121.06533	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	3.5
64.33832	0.4
65.03944	6.9
67.05503	0.6
70.71751	0.4
71.32679	0.8
72.44587	0.4
77.03950	0.7
78.04707	1.1
79.05499	7.3
83.30859	0.4
91.05484	100.0
92.05805	1.8
93.07050	5.5
95.04971	2.5
102.04640	0.5
103.05475	12.1
104.06261	11.9
105.04504	1.1
109.06533	1.4
115.05453	4.6
117.07021	28.9
119.04967	5.0
119.06839	1.9
119.08585	73.7
120.08927	1.4
121.06488	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03948	2.9
55.93543	0.7
65.03944	2.9
71.37622	0.8
77.03936	1.1
78.04717	2.0
79.05492	9.2
79.48677	0.6
84.14889	0.7
91.05486	86.1
92.05821	0.9
93.07033	5.0
95.04988	3.3
102.04658	0.9
103.05475	12.5
104.06255	14.0
105.04510	0.8
108.43050	0.6
109.06549	0.7
114.02866	0.6
114.63223	0.6
115.05460	5.3
117.07026	19.4
119.08588	100.0
120.08914	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	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03951	3.7
54.04280	0.4
56.08236	0.3
65.03951	5.1
70.65730	0.9
78.04705	1.3
79.05498	6.9
83.89293	0.4
89.38705	0.3
91.05488	100.0
92.05809	0.9
93.07065	5.1
95.04959	3.8
96.05307	0.5
102.04698	0.4
103.05477	11.8
104.06260	10.9
105.04504	1.1
109.06516	1.7
114.32203	0.3
115.05458	5.7
117.07027	28.7
118.07299	0.5
119.04977	4.1
119.06095	1.3
119.08588	73.2
120.08121	0.5
120.08916	0.9
121.06516	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	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
54.04300	0.7
65.03938	5.7
69.96497	0.9
69.96895	1.3
75.55623	0.5
77.03955	0.5
78.04692	1.0
79.05494	8.5
79.38895	0.4
91.05486	100.0
92.05814	1.6
93.07048	6.8
95.04974	3.9
96.05334	0.7
103.05473	12.4
104.05609	0.9
104.06259	13.3
105.04511	1.3
109.06552	1.0
115.05454	5.0
117.07025	26.6
119.04964	3.9
119.06088	1.5
119.06842	2.9
119.08586	91.7
120.08942	1.0
131.18164	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.01114	0.5
53.03958	1.4
61.77523	0.7
65.03947	5.8
66.92179	0.6
70.73085	1.2
70.73409	0.8
75.28059	0.5
78.04710	0.7
79.05498	5.5
91.05487	100.0
92.05836	1.4
93.07053	3.6
95.04977	2.6
103.05471	9.9
104.06255	9.1
109.06520	1.0
115.05457	3.9
117.07021	16.9
119.04958	7.1
119.06146	1.0
119.06857	2.4
119.08587	63.7
120.08121	1.3
120.08932	1.3
130.82420	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.79272	0.5
53.03947	2.8
55.79935	0.6
65.03954	5.8
70.75127	1.2
70.75502	1.3
78.04720	1.6
79.05502	7.4
91.05488	100.0
92.05815	2.1
93.07053	3.9
95.04982	3.4
96.05320	1.2
103.05477	11.5
104.06262	10.9
105.04554	1.4
109.06523	1.1
115.05452	5.4
117.07025	19.0
119.04973	4.1
119.06109	1.3
119.06857	4.4
119.08588	92.5
120.08115	1.9
120.08910	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03945	1.2
61.46177	0.3
63.02390	0.4
65.03943	16.1
69.81727	1.2
69.82141	0.6
79.05509	1.9
81.17593	0.3
91.05482	100.0
92.05831	2.2
93.07061	1.1
95.04975	1.1
100.63354	0.3
103.05464	3.1
104.06254	2.7
105.04539	0.4
109.70411	0.3
111.04479	0.5
114.17982	0.3
115.05473	1.0
115.96660	0.3
117.07024	7.6
119.04946	29.2
119.06876	2.0
119.08581	20.4
120.05309	0.5
120.08147	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	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
54.04295	0.7
65.03944	4.3
69.75206	3.0
72.99461	0.4
78.04716	0.8
79.05501	3.0
91.05488	100.0
92.05817	1.6
93.07056	1.7
95.04965	2.3
96.05288	1.3
96.50557	0.5
98.21474	0.8
103.05485	5.7
104.06257	4.1
107.05524	0.5
109.52045	0.4
115.05439	2.0
117.07032	10.8
119.04977	3.5
119.05731	0.6
119.06125	0.9
119.06850	2.7
119.08585	32.6
120.04501	0.5
120.08079	0.5
120.08900	0.5
122.05927	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	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03955	0.8
63.02376	0.5
65.03943	17.6
69.81011	0.7
69.81422	1.0
79.05489	1.7
91.05482	100.0
92.05817	2.1
93.07049	1.7
95.04951	1.2
103.05444	2.7
104.06245	3.0
105.04496	0.3
111.04457	0.4
115.05507	1.5
115.87852	0.3
117.07018	6.9
119.04948	28.0
119.06789	2.7
119.08582	21.2
120.04458	0.5
120.05248	0.4
120.08112	0.5
120.08910	0.4
135.18692	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.51611	0.3
53.03966	1.3
54.04276	0.4
55.74967	0.2
55.96789	0.2
65.03949	16.6
67.05513	0.3
69.35612	0.6
69.36021	2.0
76.52072	0.2
77.93368	0.3
78.04716	0.4
79.05504	2.1
91.05490	100.0
92.05005	1.2
92.05812	1.8
93.07063	1.3
95.04948	1.4
96.04485	0.2
96.05327	0.3
103.05487	3.1
104.06251	3.1
105.04519	0.8
105.64900	0.2
109.06545	0.5
111.04449	0.5
115.05454	1.8
117.07034	6.6
119.04955	25.9
119.06805	2.8
119.08591	23.0
120.04474	0.6
120.05303	0.4
120.08091	0.5
120.08891	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28084	2.9
69.28506	3.4
72.08153	1.7
74.31469	0.6
76.93373	3.4
91.05487	39.6
92.11597	0.6
98.20677	1.4
112.91975	0.6
113.36458	0.6
115.32186	0.6
117.05773	4.5
118.06554	100.0
119.06909	1.4
128.41019	0.5
130.95244	0.7
137.24055	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	118.0655
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03952	3.5
53.04156	0.6
65.03936	1.1
69.78900	1.2
69.79305	2.1
72.08162	1.0
74.10420	0.6
74.37970	0.6
79.05463	0.6
79.51234	0.5
85.31186	0.6
91.05488	49.5
95.04980	3.8
103.05431	1.6
104.06255	1.6
105.04536	1.1
109.06534	0.7
116.05820	0.7
117.05786	4.3
117.07015	2.7
118.06552	100.0
119.05075	0.6
119.06900	1.8
119.08578	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
55.05513	2.8
55.31709	0.3
56.96561	0.7
58.06604	34.5
58.95425	0.4
59.04995	0.5
59.07387	33.2
60.08145	0.6
69.71480	2.0
72.08164	15.4
86.53680	0.4
91.96077	0.3
104.52936	0.3
115.56335	0.4
118.08664	100.0
119.01967	0.6
134.37268	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	118.0866
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
53.03937	0.6
54.03415	0.3
55.05515	21.4
56.96566	0.3
57.05819	1.1
57.51680	0.4
58.06603	10.8
59.05000	0.7
59.07384	11.2
69.59169	2.6
70.06590	0.5
72.08159	100.0
73.08522	0.4
76.93347	0.4
91.05495	0.7
98.21513	0.6
104.70630	0.4
111.63575	0.4
118.08658	31.7
136.11116	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
56.96558	9.1
65.03936	5.2
67.05507	14.5
69.03434	29.2
70.78031	7.4
71.02972	2.9
77.93391	3.3
78.93115	3.6
79.05486	5.9
80.02931	3.4
82.01446	14.0
85.01417	4.5
85.53735	2.7
86.73323	2.2
87.53484	8.4
91.05485	96.1
93.07042	5.9
95.04982	3.2
100.02483	36.7
101.00894	17.3
101.02560	5.7
102.02226	2.8
103.02438	12.5
103.05488	3.7
104.02584	3.1
104.06302	3.0
105.03860	2.8
107.05263	13.3
107.55350	3.0
116.05788	8.4
117.07026	8.3
118.03540	23.1
119.01926	100.0
119.03629	3.8
119.04926	5.4
119.06080	6.9
119.08575	23.9
120.02035	3.0
121.03505	10.4
129.04051	4.0
129.32610	2.2
133.03455	3.3
137.02950	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
55.34382	0.5
57.63696	0.7
65.03954	0.7
70.30074	0.8
71.18577	1.1
72.08154	0.7
76.93375	1.5
79.43285	0.7
91.05484	39.9
94.19820	0.7
114.60987	0.6
117.05776	6.1
118.06548	100.0
119.06889	2.5
125.05663	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	2.1
50.22117	0.9
51.02390	6.3
51.34439	1.3
53.03952	61.2
55.01863	3.4
58.06603	1.3
59.07386	1.4
71.84932	1.5
72.08161	2.3
76.31499	1.1
76.93375	2.2
77.03936	11.2
81.03411	5.7
91.04961	1.9
91.05491	21.0
92.05801	2.6
95.04976	78.8
103.05500	2.1
105.04525	25.4
115.05473	2.9
116.05799	4.7
117.07021	14.0
118.06557	100.0
118.07333	6.0
118.08689	3.1
119.06892	1.9
119.08572	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	117.0702
Annotation	INDENE
Peak:m/z	Relative Intensity
53.03936	0.6
60.82969	0.3
63.02362	0.5
63.26504	0.3
64.92364	0.3
65.03930	0.5
69.03433	0.7
70.73772	0.9
71.06915	0.5
72.08171	0.5
74.93832	0.6
76.93366	1.0
82.49418	0.3
89.03920	2.6
90.71398	0.3
91.05489	33.6
92.05794	0.4
95.04977	0.9
102.97121	0.3
105.04491	0.3
115.05463	70.1
116.05652	0.3
116.06221	1.8
117.07024	100.0
118.06544	4.0
118.07368	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.42763	2.8
51.02374	10.0
53.03702	4.1
53.03949	62.9
55.01870	6.2
60.84719	2.7
66.08689	2.4
70.84058	7.3
72.08156	9.4
75.97757	3.1
76.93372	7.2
77.03940	12.4
79.05506	3.6
81.03428	7.8
85.92316	2.8
91.05490	33.5
92.93060	2.8
94.94428	3.4
95.04371	4.4
95.04976	85.8
95.05560	5.6
99.46555	2.8
103.05477	3.8
105.04513	21.1
117.07014	7.0
118.05701	4.9
118.06555	100.0
118.07289	5.1
118.08625	3.7
119.08582	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01604	3.4
50.05630	2.4
51.02383	7.3
53.03954	60.1
54.34591	2.1
55.01868	2.9
59.91297	2.6
62.61512	2.7
70.01260	11.2
72.08160	7.1
72.89664	2.4
76.93381	2.3
77.03934	13.2
81.03416	6.1
88.09153	2.9
91.05476	11.3
95.04974	88.5
105.04517	28.9
118.06553	100.0
118.08689	2.7
119.06909	2.4
119.08607	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
54.44825	1.1
55.01864	2.4
55.05502	1.9
57.47130	1.1
59.05004	44.7
61.54959	1.1
65.18786	1.0
69.03422	4.9
69.07059	2.1
70.06596	21.4
73.93832	2.9
74.93833	7.7
80.97097	1.1
87.00793	1.8
87.04472	37.3
89.03910	4.6
91.94882	1.4
92.94868	1.3
97.02879	2.4
98.06040	1.2
115.03955	27.6
115.05459	100.0
115.08740	1.5
115.09531	4.5
116.06245	3.5
116.07069	2.9
116.10757	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	116.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04972	1.6
56.96568	50.0
59.06148	1.7
70.06488	6.3
71.06926	2.4
71.95255	7.2
76.93370	5.8
77.61745	1.7
94.15282	1.7
98.97588	100.0
100.02502	6.2
116.98627	69.5
128.46278	1.7
134.99663	30.3
138.18280	2.1
139.48088	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	117.0703
Annotation	INDENE
Peak:m/z	Relative Intensity
53.03946	0.9
62.56844	0.3
63.02382	0.9
64.06327	0.3
69.03432	0.4
76.93372	0.6
80.89169	0.3
87.82186	0.3
89.03924	5.2
91.05486	33.5
95.04976	1.4
98.20687	0.8
101.46008	0.3
105.04495	0.3
107.72430	0.3
115.05463	71.1
116.05641	0.6
116.06271	1.5
117.07024	100.0
118.06541	4.4
118.07358	1.9
118.33782	0.3
133.73056	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	115.0393
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.00306	1.3
53.03950	7.8
55.01883	6.3
55.05500	2.7
56.96529	1.0
57.03439	17.8
59.05006	43.8
65.03952	2.4
69.03435	92.2
69.07072	8.0
70.06597	18.7
71.01360	23.4
71.58008	1.1
72.93784	5.4
73.02928	14.3
73.04037	1.3
73.06574	1.3
73.93828	5.2
74.15246	1.3
74.93837	7.2
80.05833	1.1
85.02910	48.1
87.00809	2.1
87.04476	43.3
89.03925	5.1
89.53000	1.0
90.94849	1.3
91.94875	1.8
92.94843	1.9
97.02899	58.2
97.06523	2.4
98.06062	2.2
107.05196	1.2
115.03957	38.9
115.05463	100.0
115.09512	4.6
116.06236	4.5
116.07074	1.5
123.84193	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	1141.7408
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05503	7.0
79.05878	0.6
81.07066	11.6
81.07501	0.8
83.05002	4.4
83.08660	2.0
85.02881	3.5
85.06593	0.7
91.05488	11.6
92.20525	0.7
93.07059	15.2
93.07623	1.0
95.04967	3.1
95.08616	28.1
97.02927	0.8
97.06577	1.8
97.10217	1.0
98.20707	1.4
99.08141	2.5
103.05523	0.9
105.07040	17.3
105.61337	0.6
107.08606	28.0
109.02859	0.7
109.06534	3.1
109.10168	12.6
111.08094	3.9
115.05505	1.1
117.07030	3.3
119.06165	0.6
119.08591	21.7
121.06502	5.0
121.10160	14.6
121.10990	0.8
123.08153	2.0
123.11707	5.5
125.09646	12.6
127.03964	0.8
128.06219	1.1
129.06976	3.0
130.07771	0.6
131.08591	10.4
133.06580	2.0
133.10141	19.0
135.04478	0.9
135.08064	36.7
135.11693	5.4
137.09604	4.9
138.52496	0.8
141.07002	0.8
142.07841	2.6
143.08562	6.1
145.06572	0.8
145.10133	17.4
145.11255	0.9
146.07330	1.5
147.04488	0.7
147.08064	8.2
147.11713	10.7
147.12775	0.8
149.06052	1.6
149.08604	1.0
149.09592	4.5
149.13268	3.3
151.11255	1.7
155.08626	2.3
156.09396	1.3
157.10149	9.2
158.07355	0.9
158.10895	1.2
159.08081	5.7
159.11711	17.6
159.12999	1.0
160.12141	0.8
161.09627	18.3
161.10878	1.0
161.13286	7.5
163.04019	2.1
163.11273	1.8
163.14905	2.5
165.12782	1.2
167.08737	0.8
168.09436	0.6
169.10165	3.4
170.10971	1.0
171.08180	1.8
171.11696	8.7
171.12910	0.7
172.08789	0.8
173.09653	4.8
173.13278	13.8
173.14633	1.0
174.10335	0.8
175.11218	5.0
175.14832	8.6
177.12827	2.3
177.16466	1.8
177.84033	0.7
181.10266	0.7
183.11691	4.1
184.12495	1.1
185.09604	3.2
185.13278	8.6
185.14804	0.8
186.10440	1.5
187.11206	3.8
187.14810	8.0
188.12094	1.0
189.12711	4.7
189.16373	6.0
191.14340	4.8
191.18056	1.0
193.10323	0.6
193.12314	2.6
195.11696	0.9
197.13322	3.2
199.11171	3.5
199.14871	5.4
201.10957	0.4
201.12764	17.5
201.16399	8.6
203.14336	66.5
203.18120	2.5
204.14763	1.4
205.15886	5.3
207.11832	0.8
207.17442	1.1
208.98790	0.6
209.13347	1.5
211.14934	2.0
213.12845	2.0
213.16409	8.4
213.54807	0.6
215.14375	6.8
215.17876	3.1
217.15901	9.6
217.17596	0.8
219.13826	25.5
219.17485	2.1
221.15385	0.9
223.14915	1.3
225.12869	0.9
225.16403	1.9
227.14374	2.3
227.17976	1.8
229.15845	5.0
231.17444	10.3
233.19110	1.7
237.16417	1.2
239.18045	1.7
241.16010	2.3
243.17496	4.6
245.15402	1.1
247.17043	0.9
251.18039	1.5
253.15930	1.1
253.19652	1.4
255.17485	1.7
257.19110	1.0
265.19635	1.6
267.17636	1.7
267.21158	0.9
269.18951	3.4
271.20703	0.9
277.19574	0.7
279.21066	0.6
281.19177	1.3
283.20679	2.7
283.23734	0.7
291.20905	1.1
295.20538	0.7
297.22049	1.1
305.22656	0.7
311.20563	0.7
311.23627	3.6
321.22104	1.5
323.23691	1.1
327.23441	1.3
333.22220	1.6
336.70889	0.7
339.23230	1.4
351.23227	1.9
353.24582	0.8
363.26831	1.7
375.30643	1.2
385.28870	1.3
391.30063	2.3
393.31647	3.2
397.31055	1.6
403.30045	12.9
405.31540	2.6
407.33459	1.0
409.31073	1.9
411.79202	0.7
421.31055	100.0
422.31461	5.6
423.32471	0.7
439.32120	99.1
440.32294	5.5
451.32123	2.9
457.33182	55.5
458.33417	2.3
469.33215	12.0
475.34451	0.7
487.34045	1.3
619.38477	24.0
750.41107	0.7
766.41980	0.7
1101.43652	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	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00313	1.9
53.31485	1.5
55.05511	8.8
57.03424	5.3
57.07081	85.7
65.03946	11.4
67.01866	3.4
67.05509	100.0
68.05054	1.7
68.70396	1.5
69.03429	2.4
69.07056	3.4
69.48668	10.3
70.02956	3.6
71.04996	22.7
71.94116	5.4
72.93799	41.9
85.06551	32.9
87.33996	1.4
90.59862	1.6
90.94847	10.7
95.01370	1.7
95.04976	41.1
95.08547	1.5
96.00833	1.5
98.20725	2.7
113.01576	2.9
113.02376	55.0
113.03527	4.5
113.06007	23.8
113.07921	2.2
113.96407	3.3
114.09151	4.1
115.80762	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	1141.7408
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05503	7.0
79.05878	0.6
81.07066	11.6
81.07501	0.8
83.05002	4.4
83.08660	2.0
85.02881	3.5
85.06593	0.7
91.05488	11.6
92.20525	0.7
93.07059	15.2
93.07623	1.0
95.04967	3.1
95.08616	28.1
97.02927	0.8
97.06577	1.8
97.10217	1.0
98.20707	1.4
99.08141	2.5
103.05523	0.9
105.07040	17.3
105.61337	0.6
107.08606	28.0
109.02859	0.7
109.06534	3.1
109.10168	12.6
111.08094	3.9
115.05505	1.1
117.07030	3.3
119.06165	0.6
119.08591	21.7
121.06502	5.0
121.10160	14.6
121.10990	0.8
123.08153	2.0
123.11707	5.5
125.09646	12.6
127.03964	0.8
128.06219	1.1
129.06976	3.0
130.07771	0.6
131.08591	10.4
133.06580	2.0
133.10141	19.0
135.04478	0.9
135.08064	36.7
135.11693	5.4
137.09604	4.9
138.52496	0.8
141.07002	0.8
142.07841	2.6
143.08562	6.1
145.06572	0.8
145.10133	17.4
145.11255	0.9
146.07330	1.5
147.04488	0.7
147.08064	8.2
147.11713	10.7
147.12775	0.8
149.06052	1.6
149.08604	1.0
149.09592	4.5
149.13268	3.3
151.11255	1.7
155.08626	2.3
156.09396	1.3
157.10149	9.2
158.07355	0.9
158.10895	1.2
159.08081	5.7
159.11711	17.6
159.12999	1.0
160.12141	0.8
161.09627	18.3
161.10878	1.0
161.13286	7.5
163.04019	2.1
163.11273	1.8
163.14905	2.5
165.12782	1.2
167.08737	0.8
168.09436	0.6
169.10165	3.4
170.10971	1.0
171.08180	1.8
171.11696	8.7
171.12910	0.7
172.08789	0.8
173.09653	4.8
173.13278	13.8
173.14633	1.0
174.10335	0.8
175.11218	5.0
175.14832	8.6
177.12827	2.3
177.16466	1.8
177.84033	0.7
181.10266	0.7
183.11691	4.1
184.12495	1.1
185.09604	3.2
185.13278	8.6
185.14804	0.8
186.10440	1.5
187.11206	3.8
187.14810	8.0
188.12094	1.0
189.12711	4.7
189.16373	6.0
191.14340	4.8
191.18056	1.0
193.10323	0.6
193.12314	2.6
195.11696	0.9
197.13322	3.2
199.11171	3.5
199.14871	5.4
201.10957	0.4
201.12764	17.5
201.16399	8.6
203.14336	66.5
203.18120	2.5
204.14763	1.4
205.15886	5.3
207.11832	0.8
207.17442	1.1
208.98790	0.6
209.13347	1.5
211.14934	2.0
213.12845	2.0
213.16409	8.4
213.54807	0.6
215.14375	6.8
215.17876	3.1
217.15901	9.6
217.17596	0.8
219.13826	25.5
219.17485	2.1
221.15385	0.9
223.14915	1.3
225.12869	0.9
225.16403	1.9
227.14374	2.3
227.17976	1.8
229.15845	5.0
231.17444	10.3
233.19110	1.7
237.16417	1.2
239.18045	1.7
241.16010	2.3
243.17496	4.6
245.15402	1.1
247.17043	0.9
251.18039	1.5
253.15930	1.1
253.19652	1.4
255.17485	1.7
257.19110	1.0
265.19635	1.6
267.17636	1.7
267.21158	0.9
269.18951	3.4
271.20703	0.9
277.19574	0.7
279.21066	0.6
281.19177	1.3
283.20679	2.7
283.23734	0.7
291.20905	1.1
295.20538	0.7
297.22049	1.1
305.22656	0.7
311.20563	0.7
311.23627	3.6
321.22104	1.5
323.23691	1.1
327.23441	1.3
333.22220	1.6
336.70889	0.7
339.23230	1.4
351.23227	1.9
353.24582	0.8
363.26831	1.7
375.30643	1.2
385.28870	1.3
391.30063	2.3
393.31647	3.2
397.31055	1.6
403.30045	12.9
405.31540	2.6
407.33459	1.0
409.31073	1.9
411.79202	0.7
421.31055	100.0
422.31461	5.6
423.32471	0.7
439.32120	99.1
440.32294	5.5
451.32123	2.9
457.33182	55.5
458.33417	2.3
469.33215	12.0
475.34451	0.7
487.34045	1.3
619.38477	24.0
750.41107	0.7
766.41980	0.7
1101.43652	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	111.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37775	0.3
53.03947	0.4
54.03476	0.5
55.01876	1.2
55.02996	1.8
55.04260	0.3
55.05515	2.7
56.05041	5.4
56.96573	31.9
57.03433	0.6
60.95856	0.3
65.03948	0.6
67.05505	2.6
68.01395	0.5
68.02648	0.6
68.05032	0.4
69.03435	1.1
69.04557	3.6
69.07061	0.4
69.92185	1.6
70.06600	17.5
70.98130	0.8
71.95271	5.8
72.96060	0.6
74.97640	0.5
75.01060	1.1
77.00793	0.4
79.01871	0.4
81.04554	4.2
82.01449	0.4
82.05332	89.3
83.00802	0.4
83.05097	2.4
83.06113	91.1
84.01570	0.8
84.04517	3.0
84.06426	0.5
84.08138	1.0
84.96062	0.8
86.03497	0.7
88.51582	0.9
89.00780	0.3
92.01298	0.3
94.04068	1.1
94.06554	0.6
95.02463	9.1
95.06097	0.6
96.02132	0.4
97.52109	0.6
98.01298	0.3
98.97596	0.7
99.02493	0.3
100.02489	1.6
105.53685	0.4
108.01562	0.4
108.51316	0.5
109.00492	0.6
109.16785	0.3
110.97585	5.2
111.04498	5.4
111.05581	100.0
111.09215	5.9
112.05103	28.3
112.07632	1.2
115.77923	0.3
117.02081	0.3
117.95575	0.3
118.01025	0.4
118.03545	0.7
121.02933	0.3
128.98633	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	111.0558
Annotation	Imidazole-4-acetaldehyde
Peak:m/z	Relative Intensity
53.03952	1.0
54.03481	0.7
55.01881	1.0
55.05517	8.3
56.05043	3.7
56.96286	0.8
56.96572	11.6
59.45949	0.4
63.55331	0.4
65.03960	2.2
67.05509	0.6
68.02654	0.5
69.03434	3.3
69.04555	0.7
69.07092	0.9
69.27171	0.7
69.27579	3.3
70.06599	8.6
71.95284	2.7
79.02305	0.4
81.04554	5.5
82.05331	92.1
83.05047	6.2
83.06110	98.8
84.01577	1.0
84.04506	2.1
84.06432	0.6
84.08162	0.9
84.67564	0.4
84.96043	0.4
88.00482	0.7
91.05469	0.7
93.03403	0.6
93.07039	0.4
95.01349	0.6
95.02447	0.8
96.02125	1.0
97.01021	0.6
98.21440	0.9
106.46463	0.5
107.61821	0.4
110.97572	2.0
111.04469	15.0
111.05576	100.0
111.08076	2.0
111.09217	1.3
112.03960	0.7
112.05100	3.3
112.05878	0.9
112.07613	5.7
128.98634	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	1116.6689
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03909	2.2
79.05057	2.3
79.05500	36.7
81.03397	2.5
81.07066	48.1
81.12556	1.5
83.08611	6.0
85.02424	2.4
85.02914	39.8
85.06532	1.8
91.03966	28.6
91.05485	25.7
93.06470	1.9
93.07055	40.0
95.04950	5.7
95.08614	41.1
97.02908	23.4
97.06548	2.6
97.10178	2.6
99.04490	1.9
105.04511	1.4
105.07030	19.7
107.08607	22.4
109.02888	1.5
109.06544	1.5
109.10169	16.8
111.08074	2.0
115.03925	2.3
115.05460	1.4
117.07011	6.0
119.08588	17.2
121.10154	16.9
123.11742	9.9
127.03936	17.2
128.77051	1.5
129.06969	2.4
130.07800	1.6
131.08553	11.9
133.10143	15.5
135.11691	13.1
137.13277	2.1
143.08548	3.3
145.04971	21.3
145.10139	10.5
147.11690	8.8
149.13287	8.4
157.10202	3.1
159.11725	13.8
161.13248	7.5
163.06039	41.6
163.14851	4.2
171.11719	1.5
173.13315	7.8
175.14821	3.2
185.13258	3.6
187.14830	5.0
189.16371	1.5
199.14722	2.1
201.16298	1.6
203.17998	1.6
231.17546	1.5
233.22849	1.6
241.19614	4.9
243.21176	6.4
246.96732	1.2
259.20593	10.1
261.22162	17.0
263.23730	2.6
269.22324	1.3
286.84521	1.3
315.22983	1.4
317.24731	2.7
325.11084	2.5
333.24225	9.1
335.25833	100.0
336.26080	2.6
337.27393	13.2
343.22131	1.3
521.43475	5.2
539.44141	2.0
595.47296	20.7
613.38849	2.4
613.48334	37.3
614.49036	2.0
616.62616	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00316	0.5
53.03950	2.9
55.05515	11.3
58.35399	0.5
62.33601	0.5
65.03948	5.3
67.05509	100.0
68.05829	0.5
68.99417	0.5
69.07070	6.7
70.12830	1.8
72.93808	1.1
76.14586	0.5
77.99947	0.8
79.05495	9.5
80.06291	1.1
81.03429	3.6
81.07063	33.2
86.00715	2.5
87.00472	12.7
87.09026	0.5
88.05343	0.4
91.05479	1.3
93.33054	0.4
94.07841	1.4
96.01003	1.8
98.21454	0.6
98.47358	0.5
98.51271	1.4
107.08606	4.2
108.95892	0.5
109.02872	0.9
109.06533	1.7
109.07706	1.2
109.10163	47.1
110.06039	1.5
111.96923	0.8
113.96408	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03952	4.8
55.01891	0.5
55.05262	0.6
55.05516	9.7
62.27755	0.4
62.86182	0.4
65.03948	4.7
67.05508	100.0
68.05843	0.7
69.07076	5.2
69.68023	0.4
71.47752	0.6
73.40207	0.3
79.05499	9.8
80.02325	0.4
80.05839	0.5
80.06272	1.3
81.03426	6.6
81.07063	28.6
91.05495	2.0
94.04202	1.4
94.07826	1.4
105.07047	0.7
107.04984	0.6
107.08604	3.4
109.02874	2.1
109.06525	5.1
109.10162	36.5
110.06028	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.01578	0.5
51.02375	0.5
53.03951	8.8
55.05514	12.5
61.24451	0.5
64.98631	0.5
65.03947	5.1
65.74007	0.4
67.05509	100.0
68.05839	1.1
69.07070	6.4
69.46910	2.9
69.47314	0.9
77.48915	0.5
77.99972	0.4
79.05499	13.1
79.05962	0.7
80.06269	0.8
81.02974	0.8
81.03423	10.1
81.07063	35.8
82.07398	0.6
87.00446	0.9
91.05486	2.0
94.04195	2.0
94.07825	1.9
107.04972	0.8
107.08579	3.6
109.02893	7.0
109.06523	7.6
109.10162	52.9
109.57903	0.5
110.06029	1.4
110.10517	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02407	0.5
53.00315	0.5
53.03955	15.3
55.01876	1.9
55.05517	10.2
60.22270	0.5
64.98680	0.8
65.03948	5.2
66.97884	0.4
67.05511	100.0
67.93580	0.5
68.05848	1.1
69.07072	5.3
70.30651	0.4
71.58689	0.5
76.27161	0.5
76.63036	0.5
79.05500	15.3
80.06290	1.3
81.03054	0.3
81.03423	18.7
81.07065	37.7
82.06581	1.1
86.50680	0.6
87.00468	2.9
87.04850	0.5
91.05490	3.4
94.04194	2.8
94.06130	0.6
94.07824	1.4
96.01035	0.6
105.07072	1.1
107.04958	0.9
107.08613	3.7
109.02893	7.2
109.06534	11.5
109.07679	1.1
109.10166	43.2
110.06066	3.1
110.10471	0.7
113.96412	1.2
113.98360	0.4
123.47919	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	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02388	3.2
53.03951	51.3
55.01889	3.1
55.02101	0.8
55.05517	4.1
56.16750	0.7
61.03931	0.6
64.98650	1.3
65.03944	5.9
67.05508	35.6
69.07060	1.8
71.58901	1.2
79.05494	7.0
81.03421	75.6
81.07063	15.2
87.00452	1.1
91.05472	2.8
94.04191	1.9
97.02903	0.8
109.02884	100.0
109.06517	10.8
109.07655	1.2
109.08497	0.8
109.10162	14.8
110.03236	1.9
110.06053	1.8
110.06879	0.6
113.96371	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	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02383	1.4
53.03703	1.3
53.03950	22.1
55.01875	8.7
55.05515	8.3
64.98638	1.1
65.03951	7.6
66.04731	1.8
67.05508	81.1
67.57738	0.6
68.05830	0.7
69.07065	4.9
69.55426	2.1
69.55853	3.0
79.05497	50.2
80.06262	1.5
81.03423	29.3
81.07061	58.2
82.06584	0.7
87.00462	1.3
91.05490	13.4
93.27096	0.6
94.04195	4.7
94.07824	1.6
95.04981	1.5
107.04961	1.4
107.08601	1.7
109.02885	8.0
109.06524	100.0
109.10161	34.4
110.06096	3.2
110.06774	0.9
122.68183	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	1084.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03933	0.2
79.05497	3.6
81.03419	0.2
81.07059	2.0
83.04978	0.1
83.08614	0.3
89.03919	16.4
90.04233	0.1
91.05478	1.6
93.07042	1.6
95.04961	0.9
95.08610	1.7
96.68803	0.1
97.06583	0.1
97.10174	0.2
98.20782	0.1
99.08080	0.1
103.05468	0.1
105.04516	0.2
105.07034	0.7
107.04965	3.1
107.08601	0.9
109.06522	0.2
109.10138	0.5
111.08050	0.1
115.05436	0.2
117.03384	11.7
117.07023	0.3
118.03671	0.1
119.04877	0.1
119.08569	0.7
121.10127	1.0
123.04437	0.3
123.11690	0.2
128.06212	0.2
129.07040	0.3
130.06502	0.1
131.08580	0.5
133.10089	0.5
135.04424	23.7
135.11691	0.5
136.04733	0.2
137.05991	0.2
139.03902	0.1
141.06966	0.4
143.08574	0.2
145.02853	14.7
145.10103	0.2
146.03244	0.2
147.04381	0.2
147.11687	0.3
149.06020	0.3
149.13257	0.3
153.07002	0.3
155.08551	0.1
157.06494	0.3
158.06046	0.4
159.08046	0.2
159.11682	0.2
161.05940	0.4
161.13272	0.3
163.03911	100.0
163.14807	0.2
164.04243	1.3
165.05469	0.3
165.06941	0.2
167.08618	0.2
169.06493	0.4
171.08017	0.2
173.05980	1.3
173.13301	0.2
175.07594	0.3
175.14809	0.2
177.05447	0.1
179.08559	0.2
181.05096	0.1
181.06488	0.9
183.08040	0.4
185.05969	0.4
186.05482	0.7
187.07555	1.5
189.05479	0.2
189.09090	0.1
193.06470	0.2
193.10257	0.1
195.08092	0.3
197.06001	1.5
198.06644	0.1
199.07547	2.3
201.05486	0.2
201.09068	0.2
203.06990	0.2
205.10146	0.1
207.08061	0.3
209.06052	0.1
209.09679	0.2
210.06740	0.2
211.07536	0.6
213.05469	0.6
213.09097	0.6
215.07050	0.6
217.04944	0.2
221.09573	0.1
223.07790	0.2
225.05423	0.5
225.09042	0.4
226.06227	0.2
227.07039	0.3
229.04964	0.1
229.08594	0.1
235.11189	0.2
235.14767	0.2
237.07503	0.8
237.12770	0.1
239.06956	0.1
239.10974	0.1
241.08736	0.1
243.21078	0.2
247.11119	0.1
249.09030	0.1
251.07179	0.1
259.20596	0.3
261.22134	1.0
263.14249	0.4
265.12283	0.1
267.13766	0.1
273.12769	0.1
281.15332	0.7
291.13812	0.5
291.22919	0.1
293.15182	0.1
299.16409	0.2
301.14490	0.2
309.14880	2.5
311.16452	0.2
317.17462	0.1
317.24545	0.2
319.13248	0.2
325.09396	0.1
325.14307	0.3
327.15918	3.1
329.13681	0.1
335.25818	6.2
336.26337	0.1
337.14343	1.4
345.16983	0.3
353.26770	0.1
355.15482	0.9
357.17197	0.1
365.17288	0.1
373.16565	0.6
383.18430	0.5
385.16467	0.2
399.18341	0.1
401.19638	0.8
411.17996	0.5
419.20642	0.2
423.25269	0.4
429.14096	0.1
429.19193	0.9
447.20142	1.7
448.20517	0.1
465.21088	0.2
497.28986	5.4
498.29208	0.2
507.20975	0.1
515.29596	0.1
551.36224	0.1
563.22717	0.1
569.36310	0.2
587.37598	0.2
591.22583	0.2
609.23279	1.7
615.36847	0.2
627.24408	4.3
628.24463	0.2
633.37537	0.1
643.40289	0.2
661.41095	0.8
671.38721	0.1
679.41614	0.3
689.40063	0.4
707.41559	2.0
725.29889	0.2
725.42572	3.0
726.42194	0.1
869.43958	0.3
887.29950	0.1
887.45697	2.0
888.46716	0.2
937.93774	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	1084.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03944	0.3
77.83826	0.1
79.05497	3.7
80.15366	0.1
81.03409	0.2
81.07056	2.7
83.04986	0.2
83.08627	0.5
85.02898	0.1
89.03918	16.9
90.04249	0.2
91.05477	1.8
93.07046	2.4
93.71391	0.1
95.04961	1.0
95.08605	2.1
97.06535	0.2
97.10139	0.1
105.04522	0.3
105.07006	0.8
107.04961	3.2
107.08600	1.3
109.10148	0.9
115.02885	0.1
115.05487	0.2
117.03383	12.3
117.07013	0.4
119.08582	0.7
121.10139	0.8
123.04424	0.4
123.11728	0.2
123.48959	0.1
129.07019	0.4
131.04945	0.2
131.08603	0.7
133.10144	0.6
135.04420	24.5
135.11678	0.6
136.04790	0.3
137.06017	0.2
137.13264	0.1
139.05505	0.1
141.06990	0.3
143.08565	0.2
145.02852	14.6
145.10139	0.4
146.03175	0.2
147.04459	0.1
147.11687	0.4
148.41055	0.1
149.06000	0.4
149.13261	0.2
153.07002	0.3
155.08536	0.1
157.06488	0.3
158.06003	0.3
159.11661	0.2
161.05937	0.5
161.13344	0.3
163.03909	100.0
163.14856	0.2
164.04247	1.1
165.05588	0.2
165.07040	0.3
167.08571	0.3
169.06512	0.5
169.10139	0.1
171.08069	0.3
173.05980	1.4
173.13274	0.4
175.07561	0.4
175.14893	0.1
177.05519	0.2
179.08531	0.2
181.05023	0.2
181.06436	0.9
183.08022	0.5
185.05984	0.3
185.09573	0.1
186.05479	0.8
187.07547	1.5
189.05501	0.3
189.09189	0.2
193.06558	0.2
193.10254	0.1
195.08084	0.4
197.06001	1.6
199.07547	1.9
201.05545	0.2
201.09157	0.2
203.06970	0.1
207.08049	0.4
209.09700	0.1
211.07545	0.8
213.05453	0.5
213.09070	0.4
215.07022	0.7
217.04929	0.2
221.09706	0.3
223.07555	0.4
223.11198	0.1
225.05496	0.7
225.09169	0.3
226.06366	0.1
227.07080	0.4
227.10765	0.1
229.08549	0.1
231.06325	0.1
235.11110	0.1
235.14827	0.1
237.07510	1.1
239.06935	0.2
239.10646	0.2
243.21155	0.3
245.13258	0.1
245.88496	0.1
247.11198	0.1
259.20584	0.4
261.22086	1.2
263.14346	0.6
265.12158	0.2
267.13724	0.1
273.12689	0.2
281.15460	0.7
285.14789	0.2
291.13828	0.6
297.15134	0.1
299.16504	0.1
301.14285	0.1
309.14874	2.7
311.16351	0.1
315.15933	0.1
317.24753	0.3
319.13168	0.2
325.14478	0.2
327.15903	3.1
333.24298	0.2
335.25812	8.9
336.26199	0.2
337.14423	1.5
337.18173	0.2
345.16989	0.2
351.14636	0.1
353.26447	0.1
355.15411	0.8
357.16910	0.2
365.17523	0.2
373.16556	0.7
383.18567	0.7
385.16589	0.1
399.17816	0.2
401.19681	1.0
401.72708	0.1
411.18069	0.5
419.20532	0.2
423.25168	0.4
429.19119	1.2
447.20230	1.5
465.20810	0.1
471.18240	0.2
497.29010	5.8
498.29178	0.3
545.38330	0.2
551.35425	0.1
563.22803	0.5
581.23700	0.1
587.37286	0.2
591.22339	0.1
597.36078	0.1
609.23383	1.6
627.24396	3.1
628.24750	0.2
643.39587	0.4
650.62146	0.1
661.40948	0.9
671.38855	0.2
679.42322	0.5
689.40619	0.6
707.41528	2.9
708.41827	0.2
725.42670	4.0
726.42493	0.3
869.44598	0.7
887.45764	3.6
888.44995	0.3
905.46021	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02393	0.8
53.03951	4.0
55.01876	0.8
55.05518	0.4
62.99085	3.6
65.03944	14.7
67.05508	3.3
71.32444	0.7
77.03929	1.6
79.05496	26.5
81.03435	0.6
91.05486	100.0
92.05803	0.9
92.06274	3.0
95.04972	7.5
99.75614	0.4
103.05457	0.6
105.04546	2.3
105.07036	28.7
106.04196	0.7
106.31809	0.4
107.04962	15.7
107.08597	29.8
109.06525	12.2
119.06084	7.0
124.05193	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03949	3.1
55.01876	1.1
62.99082	11.8
65.03945	14.7
67.05509	2.1
71.17381	0.7
77.03931	0.5
79.05497	20.2
81.03406	0.5
91.05486	100.0
92.05779	0.6
92.06308	2.1
95.04977	4.1
103.05469	0.8
105.04523	1.2
105.07037	29.4
106.04207	0.8
106.07352	0.5
107.01652	0.5
107.04961	13.4
107.08599	30.8
109.06526	13.8
115.59132	0.3
119.06078	6.3
124.05213	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	1084.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03945	0.2
79.05499	4.4
81.03418	1.3
81.07064	2.8
83.05004	0.2
83.08633	0.5
85.02916	0.1
89.03922	17.5
90.04265	0.2
91.05489	2.4
93.07039	2.6
95.04981	1.4
95.08616	1.9
97.10179	0.3
98.87843	0.1
105.04516	0.3
105.07033	1.5
107.04961	3.8
107.08602	1.4
107.24281	0.2
109.06512	0.2
109.10162	0.9
111.08063	0.2
117.03384	12.2
117.07013	0.4
119.08559	1.0
121.06536	0.3
121.10149	1.5
123.04435	0.6
123.11719	0.3
128.06183	0.2
131.08617	0.8
133.06462	0.2
133.10115	0.7
135.04425	25.3
135.11694	0.5
136.04744	0.3
137.05945	0.2
145.02855	15.1
145.10097	0.3
146.03185	0.2
147.08081	0.2
147.11682	0.5
149.05978	0.4
149.09644	0.5
151.11142	0.2
157.06438	0.2
157.10101	0.3
158.06024	0.4
159.11670	0.3
161.05980	0.3
161.13351	0.2
163.03914	100.0
164.04221	1.1
165.05467	0.3
171.11714	0.2
173.05952	0.5
173.13161	0.3
175.07593	0.2
175.11229	0.3
177.05476	1.0
186.05484	1.1
187.03986	0.2
189.05475	0.6
191.07065	0.2
193.12239	0.4
194.10327	0.2
195.13808	0.3
199.03780	0.2
203.07072	1.0
211.13316	0.4
237.07567	0.8
243.21162	0.1
251.85104	0.2
255.13803	0.3
261.22156	0.7
273.14795	0.3
283.13275	0.2
301.14349	1.0
317.17505	0.2
320.45145	0.2
325.09525	0.2
327.15906	0.4
335.25818	5.2
345.13019	0.2
345.16959	3.0
373.16687	0.9
383.18747	0.2
391.17789	0.2
419.20612	1.2
423.25131	0.4
429.19180	0.4
441.25934	0.2
447.20184	1.5
465.20969	0.6
497.29004	5.9
498.29242	0.2
553.20728	0.2
581.23383	0.5
587.37085	0.2
602.31232	0.2
609.22998	0.4
627.24408	6.3
628.23987	0.4
679.41974	1.9
680.42224	0.2
707.41589	0.8
725.42645	10.2
726.41962	0.5
745.84589	0.2
887.29626	0.2
887.45551	4.0
888.45270	0.3
905.45038	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.61782	0.6
53.03954	3.9
61.01149	1.0
62.99081	13.7
65.03949	13.7
67.05504	3.6
69.93558	1.4
69.93954	1.7
77.03951	0.8
79.05499	27.6
84.64858	0.7
91.05489	100.0
92.06283	2.1
95.04972	6.7
105.04540	1.9
105.07042	25.9
106.04216	1.1
107.04964	17.1
107.08600	31.8
109.06519	12.4
119.06072	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02383	0.4
53.03954	3.2
55.01883	0.8
57.34195	0.3
62.99080	12.7
65.03946	14.7
67.05498	2.6
69.53282	0.3
69.54018	2.0
71.76959	0.3
74.70828	0.3
77.03947	0.7
79.05498	17.4
81.03445	0.4
85.36558	0.3
91.05486	100.0
92.05810	0.6
92.06272	2.9
95.04976	4.5
98.21468	0.6
103.05476	0.6
105.04545	1.2
105.07038	31.4
106.04207	0.7
106.07372	0.3
107.01682	0.9
107.04963	14.0
107.08599	33.2
108.08131	0.3
109.05785	0.7
109.06530	13.6
119.06074	7.2
124.05252	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01590	0.9
51.02374	3.1
53.03948	28.2
54.04282	0.5
55.01876	2.1
62.99080	11.8
63.58088	0.4
65.03947	0.5
69.07097	0.3
71.02426	0.8
77.03934	5.7
79.05495	72.2
80.05849	0.5
81.03416	2.9
91.05482	4.6
95.04972	40.5
96.05312	0.3
105.04519	11.1
105.07025	1.7
107.01677	0.9
107.04958	100.0
107.08589	1.1
108.05293	1.2
116.10233	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	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.2
51.02382	3.5
52.49353	0.3
53.03949	27.4
55.01875	2.1
62.99079	22.4
65.03933	3.4
67.05507	0.8
70.63662	0.4
70.97352	0.6
77.03928	5.9
79.05495	75.5
80.05035	0.6
80.05835	1.4
81.03415	3.5
82.22748	0.4
85.21925	0.3
91.05482	20.7
92.06271	0.7
93.05766	0.4
95.04972	41.2
95.91306	0.3
97.70580	0.3
105.04521	12.8
105.07031	5.9
105.90194	0.3
107.01655	1.2
107.04958	100.0
107.08600	6.4
107.09291	0.5
108.04529	0.4
108.05285	1.2
108.08132	0.9
109.06511	2.2
111.95353	0.4
119.06086	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56417	0.2
51.02367	0.3
53.03956	2.7
55.01878	0.5
55.05508	0.4
62.99081	7.0
65.03947	13.5
67.05507	3.0
69.52428	1.8
77.03934	1.0
79.05496	20.2
84.47001	0.3
91.05484	100.0
92.05795	0.5
92.06276	2.7
94.10201	0.3
95.04975	3.7
99.96872	0.3
103.05465	0.6
105.04522	0.8
105.07037	28.8
106.04194	0.9
107.01668	0.5
107.04400	0.2
107.04960	9.0
107.08600	27.7
108.08926	0.4
109.06519	12.6
119.06070	6.7
124.05238	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	1056.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03929	0.2
79.05496	5.1
79.05961	0.3
81.03417	0.2
81.07066	2.6
83.04964	0.1
83.08624	0.5
85.06546	0.2
88.18491	0.1
89.03922	16.2
91.05489	2.1
91.78031	0.1
93.07050	3.6
93.07623	0.2
95.04971	1.2
95.08601	1.9
97.10191	0.2
98.20713	0.3
99.08106	0.3
105.04515	0.2
105.07024	1.1
107.04961	3.5
107.08614	0.9
109.06487	0.2
109.10143	0.7
112.12753	0.1
117.03387	12.4
117.07043	0.4
119.08584	0.8
121.10162	1.6
123.04439	0.3
123.08080	0.2
123.11706	0.3
128.06229	0.2
128.72809	0.1
129.07030	0.4
131.08585	0.7
133.10144	0.6
135.04425	26.5
135.11676	0.8
136.04774	0.4
137.06020	0.2
141.07004	0.3
143.08546	0.2
145.02859	16.1
145.10074	0.7
146.03210	0.2
147.11693	0.4
149.05978	0.4
149.13260	0.4
151.11183	0.1
153.07010	0.5
155.08562	0.2
157.06337	0.3
158.06042	0.4
159.11679	0.2
161.05981	0.5
163.03915	100.0
164.04248	1.3
165.05528	0.3
165.06877	0.3
167.08594	0.1
169.06531	0.5
171.08011	0.3
172.96400	0.1
173.05962	1.2
173.13292	0.2
175.07573	0.4
175.14769	0.1
177.05515	0.2
179.08560	0.2
181.06441	0.8
181.10104	0.2
183.08090	0.3
185.05974	0.4
186.05489	0.9
187.07567	1.6
189.05518	0.3
193.06412	0.2
195.08072	0.5
195.09869	0.1
197.05984	1.7
197.09538	0.2
199.07552	1.9
201.09085	0.2
203.07019	0.2
207.08081	0.4
211.07576	0.7
213.05504	0.4
213.09091	0.5
213.16379	0.1
215.07007	0.6
215.17993	1.1
217.04852	0.2
221.09569	0.4
223.07622	0.3
225.05478	0.5
225.09079	0.4
227.07068	0.3
227.10730	0.1
231.17365	0.3
233.19022	1.1
235.07724	0.2
237.07422	1.0
239.07104	0.1
239.10628	0.2
245.13300	0.2
263.14352	0.4
272.43747	0.1
273.12732	0.3
276.54089	0.1
280.84158	0.1
281.15359	0.8
283.13049	0.1
291.13754	0.5
293.15555	0.1
301.14441	0.2
307.22702	8.9
308.23068	0.1
309.14880	2.4
311.16519	0.1
325.14294	0.2
327.15930	2.4
337.14432	1.2
339.15927	0.1
345.17239	0.1
355.15677	0.7
365.17432	0.2
373.16537	0.6
383.18488	0.6
385.16473	0.2
395.22226	0.2
401.19595	1.0
411.17975	0.6
419.20593	0.1
429.19107	1.1
447.20157	1.7
465.21204	0.2
469.25903	5.0
470.26132	0.2
563.22620	0.4
581.24402	0.2
591.22467	0.2
609.23419	1.6
615.36310	0.4
627.24396	2.9
633.37836	0.8
643.36066	0.2
651.38690	0.3
661.36658	0.5
679.38477	2.4
680.37592	0.1
697.28180	0.2
697.39502	3.7
698.39532	0.2
841.42047	0.8
859.42761	3.2
860.42859	0.3
969.45990	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	1056.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03917	0.1
79.05498	3.3
81.03425	0.2
81.07066	2.1
81.07524	0.2
83.04982	0.2
83.08610	0.3
85.02928	0.1
85.06519	0.1
86.09700	0.2
89.03923	15.1
90.04246	0.2
91.05490	1.3
93.07048	1.9
95.04977	1.0
95.08609	1.6
103.05452	0.2
105.04540	0.3
105.07034	0.6
107.04964	3.0
107.08607	1.0
109.10168	0.5
111.04459	0.2
117.03388	10.8
117.07021	0.3
119.08582	0.7
121.06424	0.2
121.10166	0.6
121.52213	0.1
122.06066	0.2
123.04432	0.4
123.11723	0.2
129.07007	0.2
130.06549	0.4
131.08603	0.4
133.10139	0.4
135.04427	24.9
135.11732	0.5
136.04770	0.3
137.05997	0.2
139.03868	0.2
139.05573	0.1
141.07024	0.2
145.02859	14.8
145.10120	0.3
146.03206	0.3
147.04416	0.2
147.11690	0.2
149.06009	0.2
149.13300	0.2
153.07008	0.2
157.06548	0.2
158.06064	0.3
159.11713	0.3
161.05984	0.3
161.13283	0.1
162.05586	0.1
163.03917	100.0
164.04228	1.3
165.05534	0.3
165.06982	0.3
167.05089	0.2
167.08435	0.1
169.06509	0.3
171.08070	0.1
172.03889	0.2
173.04526	0.2
173.05962	1.3
173.13321	0.4
175.03847	0.1
175.07530	0.2
177.05539	0.2
179.08543	0.2
181.05067	0.2
181.06435	0.6
183.08092	0.2
184.07462	0.2
185.06007	0.4
186.05530	0.9
187.03914	0.1
187.07570	0.8
189.05476	0.4
191.08611	0.1
195.08179	0.2
197.06018	1.1
197.09547	0.1
199.07526	0.8
201.05602	0.6
204.06543	0.6
205.06870	0.2
207.08017	0.2
207.11707	0.3
209.04390	0.2
209.09619	0.3
211.07509	0.6
213.05391	0.3
215.06963	0.6
217.10164	0.2
219.06407	0.2
221.09612	0.6
225.05493	0.4
225.09062	0.3
227.10672	0.1
233.09688	0.1
235.11151	0.9
235.20789	0.1
237.07420	0.8
237.09555	0.2
239.10715	0.4
243.20995	0.2
245.09563	0.2
253.12230	1.2
259.20602	0.3
261.22162	1.0
263.10681	0.8
265.07071	0.3
269.11691	0.2
269.17627	0.1
271.13162	0.2
281.11728	2.0
283.09677	0.1
283.12997	0.2
284.02371	0.1
291.10172	0.3
297.11145	0.2
299.12833	3.0
302.12436	0.2
309.11298	1.0
315.12036	0.2
317.13821	0.3
317.24854	0.2
325.08868	0.1
327.12207	0.5
335.25818	4.6
336.26013	0.2
345.13266	0.5
355.15210	0.4
373.16553	0.9
383.15033	0.3
401.15903	1.1
419.16995	1.4
423.25192	0.4
437.17911	0.3
443.14365	0.2
497.29010	4.1
534.07721	0.1
541.33093	0.2
581.20239	1.2
599.12463	0.2
599.21350	3.6
600.21533	0.1
633.37305	0.5
651.38525	0.3
661.37256	0.3
679.38446	1.9
690.45453	0.2
697.39423	2.6
698.40424	0.2
841.40857	0.3
859.42566	1.1
894.51007	0.2
1056.52917	0.2
1079.20996	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	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	1.0
51.02388	3.6
53.03954	21.6
54.80184	0.7
55.01869	0.9
60.08174	0.7
64.87821	0.6
65.03945	1.3
66.23392	0.6
69.50553	5.4
77.03937	5.5
79.05499	50.8
81.03428	2.8
85.54724	0.7
87.00835	3.0
95.04980	27.7
103.05478	33.4
105.03424	6.6
105.04540	9.1
105.07039	100.0
105.11071	3.4
106.07359	1.1
118.06507	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.8
51.02377	1.9
53.03707	0.9
53.03952	14.0
54.81498	0.7
55.01850	0.6
61.08521	0.8
65.03940	0.9
70.72175	0.9
70.72532	1.6
77.03931	3.1
79.05500	51.5
80.05832	0.6
81.03411	1.3
87.00845	1.2
95.04976	17.7
103.05473	32.7
105.03433	1.3
105.04552	6.1
105.07038	100.0
105.11121	1.0
106.07355	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02376	2.5
53.03704	1.0
53.03950	16.8
60.04517	1.2
60.08165	1.3
61.08494	1.8
62.99073	0.7
65.03936	3.3
67.07251	0.7
69.94511	3.6
77.03938	2.9
79.05496	51.0
81.03417	1.4
87.00838	10.1
95.04977	24.0
98.20778	0.8
102.77110	0.7
103.05478	33.2
105.01856	1.1
105.03426	4.8
105.04511	8.4
105.07035	100.0
105.11076	7.3
106.06606	1.0
106.07386	1.6
113.66557	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	Unknow
Peak:m/z	Relative Intensity
50.50275	0.4
51.02381	2.3
53.03952	13.2
55.01859	0.8
62.26973	0.5
65.03935	0.9
69.57478	3.1
77.03929	4.0
79.05497	50.7
81.03426	1.8
87.00848	3.6
94.50335	0.5
95.04976	18.0
98.20711	0.5
103.05476	31.0
105.04551	4.7
105.07037	100.0
105.11099	1.1
106.07362	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50275	0.4
51.02381	2.3
53.03952	13.2
55.01859	0.8
62.26973	0.5
65.03935	0.9
69.57478	3.1
77.03929	4.0
79.05497	50.7
81.03426	1.8
87.00848	3.6
94.50335	0.5
95.04976	18.0
98.20711	0.5
103.05476	31.0
105.04551	4.7
105.07037	100.0
105.11099	1.1
106.07362	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.9
51.02370	1.8
53.03704	0.7
53.03953	14.0
54.54029	0.6
61.08497	1.1
65.03933	2.3
70.74592	1.4
76.14829	0.6
77.03926	2.4
79.05497	53.6
80.05798	0.8
81.03426	2.3
87.00830	2.2
90.69261	0.6
95.04977	18.3
99.37834	0.6
99.93967	0.5
103.05477	32.9
105.03424	0.9
105.04545	5.6
105.07036	100.0
105.11087	2.5
106.07378	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	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	2.7
51.02386	9.2
53.00301	0.6
53.03951	68.8
54.04276	0.7
55.01880	3.5
57.93980	0.4
64.08846	0.5
64.60402	0.4
64.93605	0.3
67.05537	0.6
68.99809	0.6
71.13890	1.0
72.55009	0.4
77.03934	19.1
79.05501	11.1
81.02969	0.8
81.03427	8.0
81.03912	0.6
95.04974	100.0
96.05316	0.7
103.05479	7.3
104.26677	0.4
105.03407	62.4
105.04499	30.2
105.07035	19.9
105.07758	0.9
105.11088	0.8
106.03749	0.5
110.89184	0.4
118.06552	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	1049.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
75.02364	0.3
77.03944	0.4
79.05059	0.4
79.05496	5.2
81.03431	2.4
81.07058	4.6
83.04984	1.0
83.08627	0.5
85.02921	0.4
89.03920	13.8
91.05495	2.7
93.07041	3.6
95.04983	1.3
95.08611	3.2
97.02894	0.9
97.10161	0.3
98.20670	0.4
99.04470	0.3
105.04514	0.3
105.07020	1.9
107.04976	2.9
107.08567	2.1
109.02891	0.4
109.10148	1.3
111.04431	0.8
115.05474	0.6
117.03387	10.5
117.07012	1.0
119.08591	1.0
121.10148	1.4
123.04433	1.8
123.08092	0.3
123.11713	0.5
127.03915	0.6
128.06198	0.3
129.06995	0.9
131.04900	0.3
131.08580	1.4
133.06372	0.4
133.10136	0.7
135.04425	23.6
135.11697	0.8
136.04784	0.5
137.05969	0.8
139.03888	0.3
141.06981	1.0
143.08540	0.7
145.02855	14.0
145.06503	0.6
145.10106	0.8
147.04430	0.5
147.11665	0.5
149.06021	0.6
149.13248	0.6
152.06163	0.4
153.06976	0.8
155.08580	0.6
157.06467	1.1
157.10176	0.6
158.05991	0.4
159.08107	0.3
159.11670	0.5
161.05972	1.0
161.09720	0.3
163.03912	100.0
163.14833	0.4
164.04326	1.4
165.05461	1.0
165.06941	0.6
167.04890	0.5
167.08595	0.7
169.06506	1.3
170.88741	0.3
171.08119	0.6
173.06023	3.0
173.13260	0.4
175.07578	0.6
175.11250	0.3
177.05495	0.5
179.08527	0.8
181.05049	0.5
181.06462	2.4
181.10106	0.4
183.08063	0.9
185.06033	0.7
186.05476	0.7
187.03908	0.3
187.07555	2.5
187.14824	0.4
189.05489	0.7
193.06543	0.3
195.08089	1.2
197.05989	4.7
197.09705	0.4
199.07549	4.0
201.05528	0.4
201.09161	0.5
203.06975	0.4
207.08084	0.9
207.11823	0.3
209.06029	0.3
211.07593	1.2
213.05513	1.0
213.09161	1.0
215.07100	0.7
215.10764	0.4
219.08104	0.5
221.09639	0.7
223.07628	0.6
223.11255	0.3
225.05455	1.2
225.09105	0.6
227.07008	1.3
235.14783	0.5
237.07391	0.5
239.07018	0.5
239.10693	0.3
243.06500	0.3
243.21114	0.4
245.13226	0.4
249.12741	0.3
261.22220	1.3
263.14340	0.9
273.12689	0.5
281.15311	0.9
283.13330	0.5
291.13864	1.0
293.15347	0.3
307.08170	1.2
309.14871	4.7
325.09265	0.6
327.15915	4.3
335.22018	0.5
335.25845	6.4
337.14337	2.2
343.15366	0.4
345.16812	0.6
355.15314	1.4
365.17505	0.5
373.16409	0.5
383.18475	0.6
389.16437	0.3
395.25848	0.4
401.19559	0.4
411.18118	0.6
423.25330	0.9
429.19128	0.7
447.20154	2.1
465.20963	0.4
497.29044	2.6
569.36603	0.3
587.37921	0.3
609.23309	0.9
661.40869	0.5
685.38416	0.3
689.40088	0.4
707.41534	1.3
725.42487	1.0
771.27924	1.0
802.79810	0.3
851.45465	0.4
869.45630	0.9
875.20758	0.3
887.43835	0.3
1031.49072	0.7
1049.49194	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	1049.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05058	0.3
79.05502	5.4
81.03418	2.4
81.07061	4.3
83.04992	1.4
83.08619	0.9
85.02897	0.6
89.03921	14.5
90.04225	0.3
91.05484	3.0
93.07044	4.1
95.04968	1.6
95.08616	3.4
97.02878	1.1
97.06493	0.4
97.10178	0.4
99.04430	0.3
105.04510	0.3
105.07031	2.1
107.04964	3.6
107.08606	2.3
109.02853	0.4
109.10155	1.0
111.04433	0.8
115.05508	0.4
117.03387	13.0
117.07018	1.0
119.04978	0.4
119.08598	1.9
121.10118	1.2
122.18333	0.3
123.04439	1.5
123.11734	0.5
127.03896	0.5
128.06209	0.5
129.05481	0.5
129.07010	0.8
131.08566	1.1
133.10121	0.8
135.04427	23.3
135.11711	0.9
136.04735	0.4
137.05946	0.7
139.03940	0.6
141.06975	0.6
143.08601	0.6
145.02855	13.8
145.06500	0.8
145.10147	0.8
147.04407	0.4
147.11693	0.9
149.13297	0.7
152.06232	0.3
153.06978	0.8
155.08575	0.8
157.06496	0.7
157.10127	0.4
159.11725	0.7
161.06003	1.0
161.13239	0.5
161.53488	0.3
162.89088	0.2
163.03914	100.0
163.14778	0.3
164.04285	1.5
165.05463	1.1
165.06900	0.4
167.08568	0.5
169.06528	1.2
171.08061	0.6
173.04564	0.4
173.05972	3.1
173.13275	0.6
175.07553	0.5
175.14856	0.3
177.05513	0.4
177.18991	0.3
179.08586	0.6
181.05063	0.5
181.06506	2.0
181.10028	0.3
183.08104	0.8
185.05966	0.8
186.05420	0.6
187.07597	1.9
189.05417	0.4
193.06537	0.4
195.08104	1.0
197.05992	4.3
197.09598	0.4
199.07559	4.2
201.05606	0.6
201.09163	0.3
207.08112	0.8
209.09700	0.5
211.07564	1.1
213.05476	1.0
213.09105	0.9
215.07065	0.9
219.08159	0.4
221.09743	0.5
223.07626	0.3
225.05553	1.6
225.09193	0.8
226.06372	0.5
227.06985	1.2
229.08846	0.3
233.09721	0.4
235.07607	0.4
237.07576	0.8
239.06998	0.6
241.08516	0.3
243.06427	0.4
249.09225	0.3
251.07010	0.5
253.08620	0.3
259.20627	0.7
261.22144	1.5
263.14349	0.9
273.12714	0.4
279.14035	0.4
281.15308	1.7
291.08578	0.5
291.13861	0.9
293.15375	0.3
307.07935	1.3
309.14856	4.4
325.09152	1.0
325.14261	0.7
327.15884	4.1
333.24182	0.6
335.25839	8.4
336.26019	0.5
337.14310	2.6
343.15472	0.3
347.16476	0.4
355.15457	1.3
373.16339	0.6
383.18549	0.8
401.19666	0.6
411.18109	0.8
423.25555	0.6
425.18170	0.3
429.19153	0.9
445.18167	0.3
447.19946	2.0
497.29007	3.7
573.23749	0.3
591.24072	0.3
609.22961	1.2
615.36517	0.3
644.37128	0.3
661.40857	0.7
689.40845	0.5
707.41168	1.8
725.42029	1.0
753.25989	0.3
771.28912	0.7
851.44794	0.5
869.45612	1.0
977.47803	0.5
1031.48462	0.4
1049.50000	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	1049.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
75.02364	0.3
77.03944	0.4
79.05059	0.4
79.05496	5.2
81.03431	2.4
81.07058	4.6
83.04984	1.0
83.08627	0.5
85.02921	0.4
89.03920	13.8
91.05495	2.7
93.07041	3.6
95.04983	1.3
95.08611	3.2
97.02894	0.9
97.10161	0.3
98.20670	0.4
99.04470	0.3
105.04514	0.3
105.07020	1.9
107.04976	2.9
107.08567	2.1
109.02891	0.4
109.10148	1.3
111.04431	0.8
115.05474	0.6
117.03387	10.5
117.07012	1.0
119.08591	1.0
121.10148	1.4
123.04433	1.8
123.08092	0.3
123.11713	0.5
127.03915	0.6
128.06198	0.3
129.06995	0.9
131.04900	0.3
131.08580	1.4
133.06372	0.4
133.10136	0.7
135.04425	23.6
135.11697	0.8
136.04784	0.5
137.05969	0.8
139.03888	0.3
141.06981	1.0
143.08540	0.7
145.02855	14.0
145.06503	0.6
145.10106	0.8
147.04430	0.5
147.11665	0.5
149.06021	0.6
149.13248	0.6
152.06163	0.4
153.06976	0.8
155.08580	0.6
157.06467	1.1
157.10176	0.6
158.05991	0.4
159.08107	0.3
159.11670	0.5
161.05972	1.0
161.09720	0.3
163.03912	100.0
163.14833	0.4
164.04326	1.4
165.05461	1.0
165.06941	0.6
167.04890	0.5
167.08595	0.7
169.06506	1.3
170.88741	0.3
171.08119	0.6
173.06023	3.0
173.13260	0.4
175.07578	0.6
175.11250	0.3
177.05495	0.5
179.08527	0.8
181.05049	0.5
181.06462	2.4
181.10106	0.4
183.08063	0.9
185.06033	0.7
186.05476	0.7
187.03908	0.3
187.07555	2.5
187.14824	0.4
189.05489	0.7
193.06543	0.3
195.08089	1.2
197.05989	4.7
197.09705	0.4
199.07549	4.0
201.05528	0.4
201.09161	0.5
203.06975	0.4
207.08084	0.9
207.11823	0.3
209.06029	0.3
211.07593	1.2
213.05513	1.0
213.09161	1.0
215.07100	0.7
215.10764	0.4
219.08104	0.5
221.09639	0.7
223.07628	0.6
223.11255	0.3
225.05455	1.2
225.09105	0.6
227.07008	1.3
235.14783	0.5
237.07391	0.5
239.07018	0.5
239.10693	0.3
243.06500	0.3
243.21114	0.4
245.13226	0.4
249.12741	0.3
261.22220	1.3
263.14340	0.9
273.12689	0.5
281.15311	0.9
283.13330	0.5
291.13864	1.0
293.15347	0.3
307.08170	1.2
309.14871	4.7
325.09265	0.6
327.15915	4.3
335.22018	0.5
335.25845	6.4
337.14337	2.2
343.15366	0.4
345.16812	0.6
355.15314	1.4
365.17505	0.5
373.16409	0.5
383.18475	0.6
389.16437	0.3
395.25848	0.4
401.19559	0.4
411.18118	0.6
423.25330	0.9
429.19128	0.7
447.20154	2.1
465.20963	0.4
497.29044	2.6
569.36603	0.3
587.37921	0.3
609.23309	0.9
661.40869	0.5
685.38416	0.3
689.40088	0.4
707.41534	1.3
725.42487	1.0
771.27924	1.0
802.79810	0.3
851.45465	0.4
869.45630	0.9
875.20758	0.3
887.43835	0.3
1031.49072	0.7
1049.49194	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	5.4
59.07385	1.5
60.08163	51.6
69.59104	1.5
87.04460	0.5
87.65662	0.2
104.10743	100.0
105.11076	0.6
113.79536	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	1049.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05058	0.3
79.05502	5.4
81.03418	2.4
81.07061	4.3
83.04992	1.4
83.08619	0.9
85.02897	0.6
89.03921	14.5
90.04225	0.3
91.05484	3.0
93.07044	4.1
95.04968	1.6
95.08616	3.4
97.02878	1.1
97.06493	0.4
97.10178	0.4
99.04430	0.3
105.04510	0.3
105.07031	2.1
107.04964	3.6
107.08606	2.3
109.02853	0.4
109.10155	1.0
111.04433	0.8
115.05508	0.4
117.03387	13.0
117.07018	1.0
119.04978	0.4
119.08598	1.9
121.10118	1.2
122.18333	0.3
123.04439	1.5
123.11734	0.5
127.03896	0.5
128.06209	0.5
129.05481	0.5
129.07010	0.8
131.08566	1.1
133.10121	0.8
135.04427	23.3
135.11711	0.9
136.04735	0.4
137.05946	0.7
139.03940	0.6
141.06975	0.6
143.08601	0.6
145.02855	13.8
145.06500	0.8
145.10147	0.8
147.04407	0.4
147.11693	0.9
149.13297	0.7
152.06232	0.3
153.06978	0.8
155.08575	0.8
157.06496	0.7
157.10127	0.4
159.11725	0.7
161.06003	1.0
161.13239	0.5
161.53488	0.3
162.89088	0.2
163.03914	100.0
163.14778	0.3
164.04285	1.5
165.05463	1.1
165.06900	0.4
167.08568	0.5
169.06528	1.2
171.08061	0.6
173.04564	0.4
173.05972	3.1
173.13275	0.6
175.07553	0.5
175.14856	0.3
177.05513	0.4
177.18991	0.3
179.08586	0.6
181.05063	0.5
181.06506	2.0
181.10028	0.3
183.08104	0.8
185.05966	0.8
186.05420	0.6
187.07597	1.9
189.05417	0.4
193.06537	0.4
195.08104	1.0
197.05992	4.3
197.09598	0.4
199.07559	4.2
201.05606	0.6
201.09163	0.3
207.08112	0.8
209.09700	0.5
211.07564	1.1
213.05476	1.0
213.09105	0.9
215.07065	0.9
219.08159	0.4
221.09743	0.5
223.07626	0.3
225.05553	1.6
225.09193	0.8
226.06372	0.5
227.06985	1.2
229.08846	0.3
233.09721	0.4
235.07607	0.4
237.07576	0.8
239.06998	0.6
241.08516	0.3
243.06427	0.4
249.09225	0.3
251.07010	0.5
253.08620	0.3
259.20627	0.7
261.22144	1.5
263.14349	0.9
273.12714	0.4
279.14035	0.4
281.15308	1.7
291.08578	0.5
291.13861	0.9
293.15375	0.3
307.07935	1.3
309.14856	4.4
325.09152	1.0
325.14261	0.7
327.15884	4.1
333.24182	0.6
335.25839	8.4
336.26019	0.5
337.14310	2.6
343.15472	0.3
347.16476	0.4
355.15457	1.3
373.16339	0.6
383.18549	0.8
401.19666	0.6
411.18109	0.8
423.25555	0.6
425.18170	0.3
429.19153	0.9
445.18167	0.3
447.19946	2.0
497.29007	3.7
573.23749	0.3
591.24072	0.3
609.22961	1.2
615.36517	0.3
644.37128	0.3
661.40857	0.7
689.40845	0.5
707.41168	1.8
725.42029	1.0
753.25989	0.3
771.28912	0.7
851.44794	0.5
869.45612	1.0
977.47803	0.5
1031.48462	0.4
1049.50000	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.6
51.02376	3.2
52.22633	0.7
53.03951	27.1
55.01873	1.2
56.96571	1.2
57.03431	0.9
71.59315	1.2
77.03927	5.3
78.82638	0.6
81.03432	3.6
85.02912	1.2
95.04974	36.8
102.04700	5.1
102.05349	0.8
103.05474	100.0
104.10745	2.2
105.04521	11.1
106.15548	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
50.01599	0.9
51.02381	4.3
53.03709	1.4
53.03952	27.0
55.01867	1.4
56.96551	1.1
57.03432	0.9
60.08159	2.5
60.43249	0.6
60.95849	1.6
70.03267	2.0
70.03674	1.3
76.34720	0.6
77.03932	6.4
81.03430	2.8
85.02892	1.0
88.51578	0.9
95.04973	38.5
102.04708	6.0
102.96886	1.4
103.03996	2.0
103.05475	100.0
104.05765	0.7
104.10749	5.3
105.04518	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	104.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
58.06594	2.1
60.08165	3.8
62.92995	3.9
71.26395	1.7
72.41860	0.7
77.03955	1.0
78.04720	100.0
79.05064	1.1
79.05497	1.9
83.65065	0.7
86.06081	1.0
87.04488	2.3
95.04981	3.2
96.05315	1.3
102.04678	1.1
103.04906	0.8
103.05479	65.2
104.06274	79.8
104.10751	8.3
105.04552	0.9
105.07066	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	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	6.0
59.07370	0.9
60.01257	0.0
60.01545	0.0
60.08149	51.0
60.14883	0.0
61.07846	0.0
61.08481	0.2
68.05006	0.0
69.03421	0.2
69.59034	0.0
71.07383	0.0
86.06045	0.1
86.09685	0.2
87.04443	0.4
88.07604	0.1
103.94997	0.0
104.10714	100.0
104.26113	0.1
105.10416	0.0
105.11024	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	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.2
51.02382	3.6
53.03952	26.0
53.93430	0.5
55.01867	1.2
56.27179	0.5
56.96564	2.1
61.45124	0.4
77.03933	4.8
81.03425	3.0
85.02913	1.6
86.03241	0.7
95.04977	36.1
102.04701	4.2
103.05477	100.0
104.05817	0.9
104.10760	1.0
105.04532	12.6
118.06583	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
51.02376	2.9
53.03706	1.2
53.03950	21.0
55.01868	1.0
57.03437	1.1
60.08159	2.2
70.84789	1.7
77.03924	3.7
81.03415	2.3
85.02917	1.9
86.06058	0.7
90.53208	0.7
95.04973	28.7
102.04701	3.9
103.03983	2.6
103.05474	100.0
104.05815	1.3
104.10715	3.2
105.04530	7.9
105.24548	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
50.01596	0.6
51.02390	2.5
53.03704	1.0
53.03954	19.6
55.01866	0.8
60.04992	0.4
60.08178	0.6
63.54568	0.4
69.27641	4.8
77.03943	4.2
81.03414	1.5
85.02892	0.8
87.53706	0.4
92.77595	0.5
95.04978	27.6
98.20731	1.0
102.04700	4.6
103.05478	100.0
104.05813	1.3
104.10720	2.2
105.04523	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	1021.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04997	0.6
71.59680	0.6
79.05497	6.7
79.73112	0.4
80.05846	0.4
81.03430	2.6
81.07064	5.2
83.04978	1.7
83.08631	1.0
85.02888	0.7
89.03922	12.4
91.05483	4.1
93.07049	5.2
95.04959	1.6
95.08607	3.5
97.02915	1.0
99.50634	0.4
105.07077	2.8
107.04946	3.2
107.08588	1.7
109.02918	0.7
109.10186	1.2
110.29456	0.4
111.04430	0.9
111.08096	0.5
115.05426	0.6
117.02600	0.8
117.03392	10.8
117.07030	1.1
119.08575	1.6
121.10185	2.2
123.04465	1.2
123.11691	0.6
129.05547	0.6
129.06999	0.9
131.05020	0.5
131.08597	1.5
133.10115	1.7
135.04424	22.1
135.11705	1.5
136.06235	0.6
139.03879	0.7
141.07005	0.7
143.08534	0.6
145.02866	13.8
145.06548	0.5
145.10147	1.1
147.04343	0.7
147.11690	1.4
149.13329	0.7
153.06927	0.6
155.08467	0.5
157.06480	0.7
159.11668	0.9
161.05960	1.0
163.03918	100.0
164.04289	1.1
165.05484	1.4
165.06868	0.7
167.08597	0.8
169.06493	0.7
171.08064	0.7
171.11671	0.5
173.05959	2.2
175.03955	0.4
181.06516	1.8
183.08136	0.9
187.07599	2.0
195.08102	1.4
195.11853	0.5
197.06004	3.1
199.07558	3.9
201.05573	0.5
207.08104	1.0
211.07574	0.9
211.11183	0.5
213.05545	1.1
213.09082	0.8
215.07065	0.9
215.17943	1.5
219.08310	0.5
221.09389	0.6
225.05487	1.3
227.07089	0.9
231.17332	0.9
233.19022	1.5
237.07536	1.1
239.07253	0.5
245.13306	0.5
247.11281	0.5
263.14301	0.9
281.15369	1.4
291.13730	1.1
307.08090	1.8
307.22693	7.2
309.14899	4.1
316.12085	0.5
325.09195	1.3
325.14572	0.5
327.15955	4.1
337.14301	1.8
355.15442	0.8
383.18512	0.8
395.22180	0.5
401.19656	0.7
429.19031	0.6
447.20282	2.1
469.25974	3.7
591.24133	0.5
609.23572	1.0
661.37714	0.9
679.38031	1.7
697.39075	1.3
771.27820	0.5
841.42596	0.8
1003.45367	0.6
1021.52588	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.1
51.02378	2.4
53.03702	1.2
53.03951	22.1
55.01880	0.7
56.96570	0.8
57.03437	2.7
57.93439	0.6
58.06601	1.3
59.04985	0.9
59.06135	1.0
60.08167	6.2
60.37976	0.6
62.92996	0.6
69.97910	3.0
77.03935	3.8
81.03423	2.5
85.02912	5.2
86.03246	1.6
86.06065	0.6
87.04462	0.9
95.04977	29.0
98.21448	0.8
102.04685	3.2
103.04032	5.7
103.05476	100.0
103.09535	0.8
104.05801	1.4
104.10749	10.7
105.04533	8.8
121.62001	0.6
124.35537	0.6
124.82675	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.7
51.02386	2.7
51.64771	0.6
53.03701	1.1
53.03952	20.8
55.01866	1.5
57.03439	1.2
60.08165	1.9
62.39276	0.6
70.47713	1.4
70.48077	1.4
77.03942	4.1
81.03422	2.5
85.02908	2.2
95.04974	29.2
102.04698	3.3
103.04069	3.4
103.05475	100.0
104.10741	4.1
105.04511	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	102.9687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71024	1.1
53.03931	3.6
56.96294	2.1
56.96569	42.1
58.36226	1.1
58.50537	1.6
58.96167	2.5
60.95179	7.3
60.95855	100.0
61.94903	2.1
61.95207	36.4
62.94866	3.7
67.51052	2.8
69.61768	7.8
71.02995	1.4
75.01029	4.0
75.94552	20.4
79.01854	3.2
79.38607	1.1
79.51060	1.3
79.52039	2.5
80.03496	1.5
80.45036	1.0
81.03412	4.1
84.01565	1.9
86.51857	1.2
88.02388	2.5
88.51617	5.8
89.00777	1.9
89.52349	3.1
94.97676	1.1
97.52078	1.3
98.52887	2.4
100.02478	9.1
100.05046	2.0
102.91190	2.9
102.96872	53.8
103.00656	6.7
109.02880	3.2
118.03517	2.3
119.01904	2.8
120.97074	2.1
120.97919	33.6
120.98778	2.6
121.00853	2.3
121.01672	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	1018.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	2.5
71.04978	4.4
73.02903	6.8
79.05057	3.9
79.05498	63.3
81.03436	12.0
81.07059	73.5
83.01355	2.1
83.04974	10.1
83.08639	16.0
85.02904	24.3
85.06541	5.1
87.04462	6.2
91.03944	8.8
91.05490	29.8
93.07049	53.3
95.04951	11.2
95.08611	48.7
95.09234	2.5
96.99861	2.2
97.02905	15.8
97.06531	9.3
97.10178	17.1
99.08090	2.7
100.00126	1.8
105.04557	2.4
105.07035	20.0
105.14832	1.9
107.04952	4.4
107.08598	35.7
109.06523	4.9
109.10163	77.1
111.08086	6.1
117.07023	10.6
119.08593	22.1
121.10148	22.5
123.08089	3.0
123.11718	5.5
125.09644	17.3
127.03912	4.7
129.05487	4.7
129.07030	3.4
131.08572	15.0
133.10164	9.4
135.04436	2.7
135.11708	18.7
137.09613	4.7
137.13214	3.1
139.11214	2.8
143.08546	4.0
143.10669	3.9
145.04941	5.3
145.10139	11.6
147.11705	8.5
149.13252	8.4
151.11183	2.5
153.12753	3.9
155.10703	5.0
157.10049	2.6
159.11720	7.6
161.13322	4.7
163.03879	6.6
163.06050	6.2
163.11269	10.4
163.14854	3.5
173.11754	17.9
173.13300	6.4
175.11223	2.8
175.14836	4.3
177.16351	2.2
181.12242	4.5
185.13315	2.4
187.14833	4.8
189.11288	1.9
191.86176	2.1
193.12253	5.2
199.13263	6.9
209.11751	4.5
227.12831	11.0
229.14360	58.8
243.21095	5.8
261.22156	24.8
267.15933	5.5
283.15671	3.9
301.16473	17.8
315.23257	2.9
317.24786	4.4
335.25833	100.0
363.25247	2.9
399.23715	23.2
406.21683	2.0
424.44852	2.3
475.05060	2.0
477.35547	6.6
489.35660	22.5
543.36682	3.5
561.37628	9.7
579.39697	4.3
659.45337	35.5
772.88007	2.2
932.88824	2.3
947.60870	2.6
948.74829	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	1018.5951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	7.5
73.02936	3.5
77.03960	2.7
79.05495	90.5
79.05959	4.5
81.03424	16.6
81.06575	4.8
81.07059	100.0
83.04984	17.4
83.08626	21.5
85.02900	12.1
85.06540	6.0
90.33518	1.9
91.03951	2.7
91.05485	76.6
93.07047	75.3
95.04979	19.7
95.08608	47.5
97.02872	11.6
97.06549	23.3
97.10179	20.4
99.04478	4.8
99.08102	5.2
101.05956	2.1
103.05466	4.1
105.07032	66.5
107.04958	20.6
107.07863	3.2
107.08597	63.3
107.09287	4.0
108.52502	1.8
109.02895	5.1
109.06526	12.7
109.10168	21.5
111.04406	2.3
111.08080	9.5
112.05000	1.7
115.05454	4.4
115.41969	1.8
117.07040	25.4
119.08578	45.4
121.06519	6.9
121.10150	27.8
123.08059	8.2
123.10946	2.2
123.11704	10.0
125.09632	18.3
127.03928	7.1
128.06262	3.9
129.05486	2.6
129.07004	13.7
131.08572	38.6
131.09517	3.1
133.06500	3.8
133.10129	38.5
133.11067	2.6
135.08069	11.5
135.11688	22.5
137.06003	3.2
137.09637	5.2
141.07021	3.6
142.07767	2.8
143.08553	9.7
145.06522	3.0
145.10120	35.3
147.08083	4.4
147.11702	22.2
149.09619	21.9
149.13251	17.7
151.11189	2.6
153.09192	4.0
155.08586	7.9
156.51344	1.9
157.10074	9.7
159.08047	2.7
159.11703	28.7
161.13269	8.6
163.03920	4.0
163.11174	14.6
165.12733	2.3
167.08580	2.9
169.10133	8.1
171.10429	2.2
171.11685	9.2
173.04486	8.4
173.09666	4.9
173.13249	14.2
175.11188	4.9
175.14822	2.5
177.12814	7.2
179.14297	4.4
181.10175	3.4
181.12289	2.1
183.11699	8.1
185.13264	3.0
187.11261	4.0
189.11246	12.6
189.12721	2.2
195.11736	3.2
195.13771	6.3
197.13257	6.1
209.13342	3.6
215.14368	2.3
227.12787	35.1
229.14331	4.3
229.19461	5.3
239.18053	5.0
245.13895	4.7
247.20618	5.5
251.16391	2.1
253.17992	2.2
255.15910	10.7
257.19067	15.7
263.75815	2.5
267.15967	5.2
269.17526	36.0
275.20071	83.5
287.19931	2.5
293.21078	6.5
309.20505	3.1
331.22668	6.5
349.23758	76.9
358.27969	1.9
367.24786	7.3
413.22012	3.4
423.27466	4.5
431.28067	2.5
445.29315	4.1
449.29016	17.4
463.30670	25.8
469.32874	2.1
499.34589	2.6
503.33585	8.9
511.34073	3.6
519.33008	4.2
525.35651	12.5
529.35516	13.7
543.36865	72.4
547.36212	3.4
561.37683	11.5
567.30817	2.3
583.40045	3.0
605.41718	2.9
607.34943	6.5
619.49390	2.3
623.43158	31.9
641.44397	10.7
687.40918	4.0
705.41699	3.6
981.78821	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	1018.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04991	8.0
71.05350	1.7
71.59330	2.4
73.02915	1.7
79.05496	89.1
81.03423	18.2
81.07062	100.0
83.04979	14.5
83.08629	17.0
85.02911	12.3
85.06547	4.3
91.03955	4.1
91.05484	71.1
93.07047	79.6
95.04957	15.9
95.08607	45.1
97.02903	9.0
97.06529	21.9
97.10175	12.0
99.04470	3.4
99.08091	3.7
103.05472	3.0
105.07040	58.3
107.04963	13.5
107.07861	2.8
107.08594	55.3
109.02852	2.6
109.06518	8.9
109.10162	17.4
111.04482	2.2
111.08083	7.3
113.05991	2.1
113.09609	2.2
113.64262	1.6
115.05470	3.3
116.06200	2.4
117.07030	24.0
119.08590	38.6
120.05697	2.0
121.06535	8.9
121.10150	24.4
123.04540	1.8
123.08067	3.5
123.11714	5.2
125.09637	13.8
127.03947	7.7
128.06242	3.9
129.07025	11.5
131.08580	30.9
133.06488	5.2
133.10141	36.8
135.08064	8.7
135.11705	23.0
137.09633	5.8
139.07550	1.7
139.11134	2.1
141.06996	4.1
142.07788	3.4
143.08554	9.3
145.05005	3.1
145.06520	4.0
145.10124	28.4
147.11703	17.1
149.09630	19.0
149.13271	17.3
151.11172	2.5
155.08598	6.5
157.10173	9.4
159.08144	2.2
159.11696	22.9
161.09613	3.6
161.13289	7.5
163.03912	3.4
163.11150	9.5
165.12784	2.4
167.08566	2.7
169.10129	5.8
171.11699	10.0
173.04454	5.3
173.11882	3.0
173.13191	8.1
174.13834	2.0
175.11150	2.3
177.12776	7.9
179.14282	4.0
183.11717	7.1
185.13278	4.4
187.11269	2.7
187.14738	3.3
189.11259	4.2
195.11964	2.8
195.13847	9.3
197.13289	4.7
199.14790	3.2
202.60504	1.9
209.13252	3.0
211.14920	2.1
223.14954	2.4
227.12747	15.5
229.14445	3.6
229.19507	2.8
239.17929	5.6
245.13733	1.7
247.20589	2.4
253.14339	3.8
255.15767	12.3
257.18933	15.5
259.20163	1.8
267.15942	4.2
269.17459	44.6
269.20169	3.3
275.20078	51.3
293.21048	5.6
295.06012	5.3
331.22870	4.5
349.23727	48.8
350.24222	2.6
367.25024	8.9
377.23911	1.9
413.21790	4.3
423.27591	2.7
425.25217	1.9
433.31085	2.7
439.26758	2.9
445.29376	2.2
447.31531	2.2
449.29010	23.0
451.31897	2.2
463.30624	35.5
505.41476	2.0
508.12698	2.1
515.37067	2.2
519.32904	2.7
525.35559	7.1
529.35535	12.2
543.36835	68.2
544.36798	3.9
561.37878	8.6
607.34802	5.2
623.43054	12.2
641.44470	8.7
659.44360	2.8
687.40955	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	1018.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04988	5.4
73.02914	5.3
79.05057	3.1
79.05495	50.6
81.03411	10.6
81.07061	68.2
83.04981	8.5
83.08620	11.8
85.02910	19.1
85.06523	3.3
87.04478	2.7
91.03947	4.4
91.04964	2.6
91.05487	38.6
93.07048	51.5
95.04963	7.4
95.08607	42.0
97.02895	9.8
97.06544	4.4
97.10163	13.1
99.04474	1.8
105.07034	19.6
107.04961	4.0
107.08598	28.7
109.06525	3.5
109.10159	60.1
111.04440	2.3
111.08061	5.5
115.05498	1.8
117.07000	7.9
119.08583	18.0
121.10148	18.0
123.08107	2.3
123.11695	4.3
125.09648	13.5
127.03948	3.4
129.05504	2.9
129.06999	4.1
131.08572	14.2
133.10126	11.1
135.11725	14.3
137.09616	2.6
137.13240	2.5
139.11124	1.6
143.08522	2.9
143.10690	2.1
145.04965	3.9
145.10120	9.3
147.11674	7.6
149.09581	1.9
149.13268	9.1
151.24329	1.7
153.12741	5.2
155.10725	4.1
157.10117	3.5
159.11717	8.1
161.13223	5.2
163.03868	2.0
163.06071	2.3
163.11189	7.9
163.14798	5.1
165.12766	1.8
171.11662	2.0
173.09631	2.3
173.11736	15.1
173.13283	6.2
175.14828	3.4
181.12384	2.2
181.90919	1.6
185.13353	2.4
187.14828	1.7
191.10837	2.3
193.12242	3.6
199.13275	7.8
209.11682	3.6
217.14549	2.1
227.12819	6.1
229.14351	45.7
233.52779	1.7
243.21115	6.6
245.13680	1.7
257.13800	2.9
261.22171	21.4
266.46365	1.7
267.15894	6.9
301.16513	12.6
304.61682	2.0
317.24637	4.1
335.25818	100.0
336.26147	2.3
348.66290	1.9
399.23904	11.7
477.35724	7.8
489.35831	26.4
533.07172	2.0
543.36646	5.2
561.37994	8.9
579.38678	3.9
659.45288	40.8
660.45502	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12209	0.4
53.03939	0.9
55.01878	5.0
55.05263	0.7
55.05515	11.8
55.28795	0.5
56.05040	4.5
56.96568	18.7
57.03438	4.7
57.07067	0.7
58.95395	0.6
58.96154	1.5
58.99863	2.1
59.05002	8.4
59.06135	3.2
59.52195	0.7
59.93105	2.2
59.95482	1.6
59.96178	0.6
59.99963	0.7
60.04514	1.4
60.95128	0.5
60.95862	2.7
61.02935	0.6
67.05504	0.9
68.00276	1.0
68.02646	2.1
68.99787	2.2
69.03444	0.5
70.99839	0.6
71.01348	1.5
71.95255	1.4
73.02917	8.1
74.06078	0.5
75.01052	1.7
77.00865	4.1
79.01871	0.9
82.99830	0.9
83.00780	2.0
83.01514	1.7
83.04984	5.9
84.01638	1.3
84.04516	5.1
84.08144	1.8
85.02905	13.6
85.06540	1.9
86.01330	0.4
87.01917	0.6
89.00256	1.6
89.00806	1.1
95.01906	0.7
98.01298	0.7
98.52705	0.5
98.97591	3.4
100.02458	2.7
100.97177	0.5
100.98907	0.5
101.00885	15.0
101.02529	13.0
101.03435	0.7
101.06035	4.0
101.07949	2.2
102.02232	1.9
102.05549	2.3
102.09222	0.7
102.12778	0.6
110.97560	0.5
111.68534	0.5
115.01208	0.9
116.98647	2.8
117.95976	1.6
118.03534	1.6
118.96786	0.6
119.01924	100.0
119.03629	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	101.9776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63094	1.5
56.05032	4.3
56.96332	2.4
56.96577	31.3
60.27620	1.4
60.95148	100.0
60.95852	24.0
64.86578	1.4
67.51057	6.4
70.45625	2.0
70.45981	4.7
74.19547	1.2
76.51568	2.5
78.50211	1.3
78.96191	1.7
79.01866	5.9
84.01198	3.7
84.04491	3.6
88.02377	5.0
99.91673	1.4
100.02498	2.6
102.02245	15.7
119.01895	1.9
119.98803	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	1018.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	6.8
73.02928	2.8
79.05501	85.0
79.05959	4.2
81.03427	18.3
81.07065	96.2
83.04987	15.9
83.08622	20.7
85.02917	13.0
85.06551	6.5
91.03939	4.5
91.05489	100.0
92.05867	2.8
93.07055	84.6
93.36839	2.2
93.73042	2.2
95.04975	21.3
95.08615	53.7
97.02905	17.6
97.06536	18.4
97.10165	13.6
99.08085	4.5
103.31722	3.0
105.04558	3.2
105.07039	84.0
107.04971	15.4
107.08605	53.4
109.02869	3.0
109.06528	14.1
109.10163	28.8
111.08081	7.7
115.05452	6.0
117.07029	32.6
119.07789	3.8
119.08595	52.7
121.06507	7.2
121.10154	33.7
123.04424	4.1
123.08060	7.5
123.11719	6.7
125.09615	11.9
127.03912	5.4
129.05450	4.2
129.07016	27.3
130.07753	3.1
131.08583	52.4
133.06526	3.8
133.10153	54.4
135.08089	8.5
135.11697	24.3
137.09618	4.9
141.06993	9.1
142.07867	3.9
143.08589	26.2
145.04974	3.1
145.10136	38.4
147.08061	3.5
147.11713	28.3
147.82239	2.5
149.09659	21.4
149.13281	13.4
151.11205	6.8
153.09042	3.3
155.08530	14.9
157.10146	23.2
159.08151	3.8
159.11711	32.6
161.09631	4.2
161.13300	18.9
163.04120	3.0
163.11203	13.1
163.14853	3.7
165.06972	3.4
165.12869	3.8
167.08545	7.5
169.10109	16.0
171.10318	4.4
171.11684	21.3
173.04369	2.7
173.09631	3.2
173.11855	5.4
173.13295	13.5
175.11290	5.1
175.14865	5.0
177.12831	5.1
179.14357	5.4
181.10144	6.2
183.11716	13.3
185.13263	11.7
187.11542	3.0
187.14853	5.3
189.11285	4.4
193.10106	2.8
195.11780	6.9
195.13744	5.7
197.13306	7.3
199.14799	8.9
207.13721	2.7
209.13356	5.5
211.14812	7.7
213.14594	2.9
213.16403	3.2
225.16533	3.4
227.12782	12.7
229.14351	10.7
237.16544	2.9
239.17992	5.3
241.10393	2.5
241.19554	10.8
243.17601	2.8
253.14291	4.7
255.15697	3.7
257.19043	11.0
259.20569	30.8
269.17484	21.4
273.18454	6.1
275.20074	37.5
291.19559	9.2
301.21832	3.1
331.22931	3.3
333.24307	24.8
335.25891	12.2
349.23795	30.9
350.24069	4.3
354.26227	2.4
365.23386	4.3
373.18628	2.5
376.62085	2.4
421.31161	5.9
433.30423	3.6
449.29031	2.9
463.30359	5.5
487.34082	5.1
495.34738	4.1
513.35754	29.8
515.38458	4.7
525.35773	5.0
527.37494	13.9
543.36835	13.0
559.36548	5.2
605.84924	2.6
607.43524	24.7
623.43268	7.4
625.44464	18.2
641.43762	12.1
1019.49176	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	1007.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85598	1.2
73.02919	2.0
79.05513	1.8
81.03429	1.3
81.07069	2.3
83.08646	0.5
85.02915	3.3
91.03954	1.5
91.05482	2.2
93.07051	1.8
94.20551	0.3
95.05020	0.5
95.08637	1.0
97.02888	3.0
97.10235	0.4
99.04469	0.5
101.02421	1.2
105.07084	1.0
107.08628	1.3
109.02873	0.4
109.10175	0.6
117.07064	0.4
119.08627	1.1
121.10218	0.6
127.03950	0.6
131.08586	0.6
133.10197	0.9
145.10187	0.4
147.11740	0.7
185.04256	0.6
201.03792	0.7
239.86993	0.3
243.08562	1.9
245.19118	0.4
259.07919	0.6
266.27652	0.3
301.09033	0.4
313.09091	0.4
315.10605	0.5
333.20490	1.3
347.09564	2.7
360.73520	0.3
363.09320	1.1
365.10788	0.9
373.23703	0.6
405.13696	5.6
439.19717	0.5
448.17184	0.4
453.21402	0.7
463.14386	0.9
465.21338	0.4
475.14346	0.5
535.28766	2.8
545.22089	0.4
551.28284	3.1
601.25281	0.4
627.25775	0.4
697.34192	3.3
713.33618	3.4
759.98254	0.3
785.35944	0.7
845.50610	0.5
1007.55573	100.0
1008.55914	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	1007.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59433	0.4
73.02902	2.0
79.05504	1.8
81.03450	1.2
81.07057	1.7
85.02911	3.5
91.03967	1.7
91.05505	1.6
93.07062	2.2
95.08612	1.6
97.02885	3.4
99.04508	0.6
101.02410	1.3
101.54753	0.3
105.07078	1.5
107.08613	1.2
109.02919	0.6
109.10201	0.6
117.07000	0.4
119.08628	1.1
121.10133	0.7
127.03960	1.0
131.08604	0.7
133.10114	0.7
135.11731	0.7
145.05075	0.5
146.06134	0.4
147.11758	0.4
149.09692	0.4
150.72108	0.3
152.21458	0.4
159.11731	0.6
185.04276	0.8
201.03767	0.6
203.05377	0.7
240.61658	0.3
243.08437	1.9
254.48592	0.4
315.10510	0.5
333.20560	1.0
347.09512	2.9
363.09213	1.3
365.10739	1.0
389.22937	0.6
405.13678	5.0
439.19727	0.5
453.21060	0.8
463.14532	0.8
477.15945	0.7
535.28857	1.7
551.28180	4.3
551.34973	0.4
601.26416	0.4
615.26807	0.7
697.34290	2.8
713.33508	5.0
785.35748	0.4
845.50989	1.2
1007.55536	100.0
1008.55707	8.9
1008.76129	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	1004.6162
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06609	1.7
71.04989	5.1
71.59763	2.1
79.05495	70.2
81.03418	5.1
81.07059	93.0
83.04984	5.2
83.08620	15.1
85.02911	7.7
85.06579	4.7
90.96889	1.8
91.03960	4.6
91.05486	48.5
92.35616	1.9
93.07050	66.8
95.04989	11.7
95.08611	56.9
97.02893	4.1
97.06525	9.9
97.10166	7.3
99.08095	2.8
105.07040	36.4
107.04958	6.4
107.08598	43.4
109.06562	10.2
109.10159	44.6
109.10907	2.2
111.08092	8.1
117.07021	15.1
119.08590	31.5
121.06532	4.0
121.10146	36.0
123.08061	3.2
123.11722	7.4
125.09644	4.9
127.03905	2.0
129.07010	6.1
130.07750	2.6
131.08589	21.2
133.10141	24.4
135.08054	4.2
135.11702	16.4
137.09624	4.4
143.08537	5.0
145.10132	15.7
147.08031	2.2
147.11632	12.4
149.09621	6.9
149.13316	13.4
155.08603	2.1
157.10115	4.6
158.19980	2.0
159.11708	14.8
161.13252	6.6
163.03912	4.3
163.11212	4.1
163.14760	2.3
169.10143	3.7
171.11734	3.3
173.11794	5.5
173.13245	8.6
175.14873	3.1
177.12881	2.7
179.14310	2.2
185.13301	5.2
189.11301	3.3
195.13739	2.5
197.13242	2.7
199.14812	3.6
201.12848	1.8
219.17413	2.5
227.12788	6.7
229.14362	29.2
239.17885	3.0
243.21199	4.1
257.19064	4.8
259.20520	2.6
261.22043	14.8
267.16052	2.1
269.17480	20.5
275.20065	29.3
293.21085	5.4
309.20584	5.9
317.24777	2.4
333.23849	2.3
335.25818	100.0
336.25970	2.4
349.23730	26.7
367.24777	21.1
437.34311	3.3
454.77509	2.2
489.35806	18.6
507.37216	4.4
529.38953	55.7
530.39301	3.9
547.39526	3.4
554.43591	1.9
569.41992	28.3
609.45184	45.8
627.46179	38.5
627.57788	2.3
627.60535	2.1
628.46893	2.5
1005.53741	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	1002.6004
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78509	3.4
71.04990	6.8
73.02927	4.5
77.03911	2.8
79.05502	85.1
81.03430	13.8
81.07065	90.4
83.04991	9.5
83.08636	13.7
85.02914	19.7
85.06562	3.9
86.79835	1.4
91.03966	7.4
91.05486	100.0
93.07054	81.2
95.04978	18.6
95.08615	61.1
96.08939	1.5
97.02887	13.9
97.06539	9.5
97.10219	8.2
99.04469	3.2
99.08091	5.3
103.05489	4.1
105.04508	3.9
105.07040	80.3
106.07384	2.0
107.04998	7.1
107.08602	44.1
109.02888	3.1
109.06522	8.5
109.10169	29.0
111.04427	2.2
111.08099	6.4
115.05441	7.3
117.07024	37.8
117.24141	1.7
119.08585	61.3
121.06523	5.4
121.10146	28.3
123.08075	5.6
123.11725	8.0
125.09645	6.4
127.03926	7.3
128.06219	8.0
129.05499	4.5
129.07011	24.1
130.07773	3.1
131.08583	50.4
132.09303	1.7
133.06548	2.5
133.10143	44.6
135.04410	1.5
135.08072	4.2
135.11700	20.2
137.09636	3.9
137.13240	3.1
141.06969	10.0
142.07768	7.1
143.08574	26.7
144.09332	3.2
145.04987	6.7
145.06483	2.4
145.10143	42.5
147.08043	3.2
147.11713	29.9
149.09615	8.1
149.13310	13.2
151.11244	4.0
153.07069	3.5
154.07782	2.3
155.08594	16.8
156.09360	2.1
157.10129	27.9
159.08122	2.4
159.11703	31.8
161.09677	3.2
161.13307	11.4
163.05998	2.9
163.11217	4.0
163.14827	3.3
165.12744	2.4
167.08609	7.8
168.09361	3.2
169.10136	19.2
170.10808	1.7
171.11699	22.3
173.13242	13.5
175.11156	1.9
175.14830	6.5
177.12776	2.4
179.08577	3.2
181.10129	9.9
183.11739	19.0
185.13283	18.1
187.14861	9.3
189.16356	3.0
193.10147	1.9
194.10852	2.0
195.11720	8.9
195.13618	2.1
197.13263	12.4
199.11296	1.6
199.14893	11.7
201.12732	2.8
201.16377	3.0
203.10802	1.8
207.11742	3.3
208.12465	2.0
209.13293	9.2
211.14845	7.4
213.16425	6.4
215.17989	2.4
219.11757	2.2
221.13284	3.5
221.15385	1.6
223.14911	7.0
225.16402	4.4
227.17973	4.4
229.14291	3.8
231.21164	3.4
235.14854	2.7
237.16388	4.2
239.17979	6.1
241.19659	12.3
251.17918	3.4
254.14488	1.7
255.17523	2.0
257.19025	8.0
259.20590	27.8
261.22232	2.7
263.17999	2.1
269.17368	9.6
273.18549	3.2
275.20035	6.9
277.21646	1.8
279.21115	1.5
283.20541	2.8
285.18729	1.8
301.21661	2.7
311.23505	2.5
315.23419	2.3
333.24365	19.6
335.26013	8.5
339.23206	2.9
339.27130	2.0
349.23965	6.5
355.26190	1.8
365.28842	1.7
405.31689	1.8
417.31909	1.8
421.30765	1.6
435.32690	5.1
443.86090	1.7
453.33557	3.4
471.33374	1.9
501.35803	3.0
509.35272	2.2
513.35706	6.3
515.38000	2.7
517.40320	6.3
525.35669	2.6
527.37433	18.8
539.37427	2.6
545.37805	2.4
591.43890	6.3
607.43549	8.8
609.45184	54.4
609.55084	2.8
610.45404	2.9
625.44672	13.0
771.50128	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	1002.6004
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	5.2
71.59524	1.6
71.59909	1.9
71.60901	1.6
73.02911	3.2
74.45325	1.6
79.05501	93.9
81.03429	15.0
81.07063	97.5
82.07403	2.3
83.05009	10.1
83.08626	21.7
85.02921	13.0
85.06529	7.5
91.03958	4.3
91.05487	100.0
93.07052	91.1
95.01359	2.0
95.04977	19.4
95.08615	62.8
95.09232	3.0
97.02901	9.7
97.06548	14.9
97.10175	12.2
99.04450	3.6
99.08086	5.4
101.62518	1.7
103.05456	4.8
105.04520	2.8
105.07045	97.8
106.07359	1.8
107.04984	9.6
107.08604	64.7
109.02853	3.4
109.06527	9.0
109.10154	25.9
109.10829	2.7
111.08091	8.8
115.05466	5.0
117.07031	38.3
119.08591	76.3
121.06511	5.0
121.10157	35.9
123.08055	7.8
123.11716	9.6
125.09661	9.3
127.03916	5.0
128.06229	9.0
129.05499	2.4
129.07022	24.1
130.07780	4.1
131.08577	49.5
133.06540	2.5
133.10150	55.3
135.04436	2.9
135.08051	6.4
135.11705	26.6
137.09613	2.7
141.06982	8.0
142.07816	4.2
143.08575	24.6
145.05043	3.7
145.06468	4.5
145.10133	42.5
147.08023	5.2
147.11711	40.1
149.09659	12.7
149.13281	14.6
151.07594	2.0
151.11191	4.1
154.07718	3.3
155.08565	17.6
156.09369	3.3
157.10138	24.7
159.11697	38.3
161.09662	5.0
161.13289	20.4
163.03903	4.0
163.11206	7.3
163.14859	5.1
165.07063	3.2
165.12767	2.3
167.08589	5.7
169.10153	18.2
171.11694	24.8
173.04472	4.0
173.09680	2.1
173.13254	19.2
175.11203	2.7
175.14830	8.2
177.12746	5.1
178.97276	1.9
179.08638	2.5
179.14322	3.3
181.10150	9.0
182.10869	2.1
183.11710	16.8
185.09560	2.2
185.13280	15.7
187.11070	3.1
187.14819	6.3
189.11171	2.9
189.12727	1.9
189.16367	3.4
191.10786	2.0
193.10060	2.2
195.11736	6.3
195.13770	4.4
197.13278	10.4
199.11284	2.5
199.14838	10.6
201.16360	2.5
207.13754	2.1
209.13266	6.5
211.14807	5.7
213.16353	4.4
215.14380	2.3
215.17969	2.4
217.15923	2.8
223.14813	6.1
229.14259	2.0
229.19604	3.5
231.17578	2.2
231.21083	3.1
233.13287	2.6
235.14818	3.4
237.16409	2.9
239.17946	4.9
241.19551	19.7
243.21036	3.2
251.17909	2.0
253.19687	2.8
255.15977	6.6
257.15677	2.0
257.19058	9.1
259.20590	52.0
260.21036	1.9
261.22232	2.5
267.15912	2.6
269.17395	15.1
273.18622	6.0
275.20154	23.8
291.19547	5.3
293.21078	2.7
297.22086	4.1
309.20883	1.9
315.23145	5.9
323.23526	2.6
327.23154	3.3
331.22699	2.4
333.24271	52.9
335.25873	10.1
347.22247	3.5
349.23874	20.7
351.26065	2.2
353.24661	2.4
365.23215	3.7
365.27933	2.0
367.25003	4.4
405.27106	2.2
421.30762	2.5
435.32544	8.3
453.33572	2.8
459.32751	2.2
495.34573	3.4
501.35178	3.2
509.36050	4.0
513.35803	33.1
515.38416	7.2
517.39545	2.3
527.37372	58.5
528.37451	2.5
531.36774	3.8
533.39722	7.6
539.36737	2.6
545.38220	8.4
551.40601	3.3
556.72083	2.1
589.42041	3.2
597.45056	2.2
607.43719	51.5
625.44635	54.8
635.39691	2.4
643.45563	7.6
671.41284	3.7
689.42096	5.2
769.48700	3.2
END